data_5lwc_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 5lwc _Structure_validation_residue.Date_analyzed 2017-10-20 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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.975 0.417 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.41 -43.2 99.64 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.5 -45.3 92.11 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 124.155 0.562 . . . . 0.0 109.527 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.5 -43.69 96.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.72 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -60.38 -43.39 96.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.361 . . . . 0.0 110.651 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.33 -45.8 92.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.17 0.509 . . . . 0.0 110.353 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.1 -40.48 96.02 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.634 -0.827 . . . . 0.0 110.5 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.07 -44.63 91.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.9 p -60.87 -38.31 85.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.179 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -72.5 -43.95 62.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.953 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.99 158.48 31.4 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.51 -33.61 25.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.372 0.606 . . . . 0.0 109.809 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.93 98.72 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.26 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.57 -42.35 98.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.894 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.38 -45.15 94.47 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.56 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.17 -43.43 98.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.311 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -60.46 -44.17 96.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.036 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.88 99.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.389 . . . . 0.0 110.686 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.02 -44.37 92.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.563 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 t -61.72 -42.36 98.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.528 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -125.66 87.6 2.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.065 0.46 . . . . 0.0 110.882 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -65.8 -25.43 36.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.995 0.902 . . . . 0.0 109.04 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.35 -42.14 99.7 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 68.9 mmtt -61.02 -40.32 93.14 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.896 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.98 -46.46 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 O-C-N 124.014 0.821 . . . . 0.0 109.79 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -62.51 -44.27 96.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.652 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.3 -45.77 87.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.3 m95 -66.43 -39.28 88.84 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 119.496 -0.882 . . . . 0.0 110.754 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.12 -42.14 99.47 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.375 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.6 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -61.2 -37.82 84.35 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.434 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 95.92 6.28 59.32 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -50.9 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.105 0.478 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.8 p -107.17 150.72 26.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.287 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -57.99 -41.84 83.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.65 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.68 -50.63 70.39 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.646 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.591 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 32.3 tt0 -58.5 -41.16 84.74 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.135 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.27 -44.57 97.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -67.33 -34.42 77.29 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 117.473 -1.691 . . . . 0.0 109.615 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -56.92 -49.62 75.06 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 124.611 1.195 . . . . 0.0 108.911 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.591 ' CH2' ' NE2' ' A' ' 38' ' ' GLN . 34.6 m0 -58.61 -44.28 89.87 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.308 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.61 -46.45 96.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.731 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -35.55 77.23 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.729 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.6 t30 . . . . . 0 CA--C 1.534 0.335 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.647 177.819 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.725 0.298 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.05 -41.95 99.71 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 4' ' ' LEU . 2.4 tm? -61.22 -44.17 97.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.96 -44.05 97.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.71 0.291 . . . . 0.0 110.286 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -60.33 -44.82 95.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.284 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.06 -45.49 92.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.01 -42.18 99.76 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.442 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.67 -43.96 97.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.676 0.274 . . . . 0.0 110.444 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.4 t -60.87 -40.95 94.91 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.922 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -71.47 -42.06 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.87 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.61 160.54 33.72 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -85.26 -33.14 22.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.239 0.542 . . . . 0.0 110.391 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.53 85.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.816 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.4 -41.05 96.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.259 0.552 . . . . 0.0 110.332 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -60.58 -46.18 91.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.8 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -61.54 -41.3 97.16 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.965 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -58.96 -47.72 84.11 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.929 0.768 . . . . 0.0 110.611 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.7 98.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.625 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -64.16 -44.91 90.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -62.81 -40.58 97.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.498 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -124.96 86.4 2.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.007 0.432 . . . . 0.0 110.629 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.5 m -66.44 -24.89 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.426 0.631 . . . . 0.0 109.41 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.01 99.65 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 29.4 mmtp -62.0 -40.08 94.42 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 122.434 -0.45 . . . . 0.0 109.84 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.15 -46.76 96.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.081 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -62.15 -43.22 99.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -59.39 -45.47 91.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.558 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.424 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.7 m95 -66.32 -39.64 89.42 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 119.381 -0.928 . . . . 0.0 110.339 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mp -63.01 -42.86 99.94 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.323 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.88 -43.75 94.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 t -60.6 -42.43 96.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.734 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 102.64 2.63 49.96 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -50.15 179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.319 . . . . 0.0 110.453 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.9 p -103.6 154.06 19.92 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.083 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.83 -41.15 90.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.45 -50.35 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.615 0.721 . . . . 0.0 110.592 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.623 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.4 tt0 -58.95 -40.8 85.79 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.94 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.54 -43.97 98.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.296 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -68.19 -34.55 76.49 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 117.989 -1.484 . . . . 0.0 109.697 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -56.85 -49.11 76.44 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 108.799 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.623 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 31.6 m0 -59.95 -44.61 94.31 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.328 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.73 -45.26 99.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.444 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -36.41 78.15 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.6 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.3 t30 . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.34 178.005 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.656 0.265 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.77 99.51 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.5 -45.05 95.23 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.237 0.542 . . . . 0.0 109.857 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.61 -43.76 95.94 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.46 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.79 -44.26 97.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.488 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -60.42 -45.39 93.78 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.891 0.376 . . . . 0.0 111.101 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.95 -42.23 99.75 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.956 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tt -62.91 -43.84 97.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.384 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.13 -40.05 92.32 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.18 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -71.69 -40.87 69.27 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.479 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.92 163.13 36.9 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.557 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -88.23 -36.35 16.8 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.479 0.657 . . . . 0.0 109.769 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.68 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.38 -43.06 99.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.359 0.599 . . . . 0.0 110.178 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -61.93 -44.98 95.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.592 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 17' ' ' ASN . 44.6 t-20 -61.1 -43.94 98.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.896 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -59.02 -46.18 88.85 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 123.574 0.546 . . . . 0.0 110.871 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.89 99.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.05 -44.09 93.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.8 t -61.55 -42.17 98.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.434 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -126.95 90.82 3.22 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.944 0.402 . . . . 0.0 110.541 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.7 -23.42 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 122.024 0.916 . . . . 0.0 109.896 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.21 -38.16 96.05 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 71.4 mmtt -63.22 -39.71 95.4 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 117.329 0.565 . . . . 0.0 109.997 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.68 -46.35 96.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.046 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -62.2 -44.21 97.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.481 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -57.19 -46.53 82.76 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.38 0.425 . . . . 0.0 111.574 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 6.2 m95 -67.12 -38.77 86.18 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 119.246 -0.982 . . . . 0.0 110.941 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.93 -42.24 99.74 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.67 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.45 -44.02 95.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.878 0.371 . . . . 0.0 110.012 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -62.42 -38.27 89.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.36 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.47 28.12 13.58 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.69 170.34 15.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.022 0.439 . . . . 0.0 110.967 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.406 ' HG1' ' CB ' ' A' ' 38' ' ' GLN . 10.9 p -88.21 149.27 23.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -58.85 -41.97 88.23 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -63.66 -50.41 69.39 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.197 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.494 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 56.6 tt0 -58.84 -40.1 83.23 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.999 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.71 -44.25 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.172 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -67.15 -33.75 76.09 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 117.504 -1.678 . . . . 0.0 109.145 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.1 -49.7 75.06 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 124.564 1.165 . . . . 0.0 109.537 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 27.0 m0 -60.55 -43.17 97.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.221 0.534 . . . . 0.0 109.855 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.406 HG22 HD13 ' A' ' 43' ' ' ILE . 94.3 mt -62.32 -46.15 97.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.254 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -35.83 77.3 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 121.721 -0.612 . . . . 0.0 111.016 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.5 t30 . . . . . 0 C--N 1.346 0.432 0 CA-C-N 118.139 0.427 . . . . 0.0 109.912 177.891 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.184 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -44.53 97.95 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 tp -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.48 -44.4 96.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.205 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -60.33 -44.07 95.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.147 0.498 . . . . 0.0 110.466 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.77 -45.96 92.32 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.196 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.22 -42.32 99.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.986 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -45.01 95.49 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.84 0.353 . . . . 0.0 110.589 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -61.23 -40.33 93.61 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.651 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -72.09 -40.77 67.99 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.248 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.34 166.53 39.32 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -88.15 -31.98 18.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.824 0.345 . . . . 0.0 110.418 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.76 95.83 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.319 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.74 -44.06 93.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.035 0.445 . . . . 0.0 110.367 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.26 -46.09 91.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -61.8 -42.21 98.73 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.998 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -60.46 -45.29 94.24 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.075 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.29 97.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.247 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -64.61 -44.18 91.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.077 0.465 . . . . 0.0 110.689 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 p -61.92 -41.49 97.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.99 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -127.48 89.02 2.88 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.183 0.516 . . . . 0.0 110.939 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.12 -25.15 35.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.861 0.839 . . . . 0.0 109.418 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.28 98.94 Favored Glycine 0 C--O 1.22 -0.755 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 69.1 mmtt -62.03 -39.94 94.04 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 122.343 -0.504 . . . . 0.0 110.058 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.45 -46.81 95.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.993 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -62.1 -43.29 99.16 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.486 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.68 -46.26 89.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.515 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.7 m95 -65.16 -40.11 93.86 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.206 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.1 -43.84 97.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.718 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.57 -41.38 98.89 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.601 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 76.6 p -65.71 -23.53 66.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.932 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.96 25.18 56.46 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.721 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.57 169.6 13.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 0.0 110.75 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 p -91.17 151.28 21.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.049 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -59.77 -41.87 92.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.644 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.74 -51.09 66.47 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.901 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.598 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.7 tt0 -57.69 -41.11 80.99 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.959 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -64.51 -44.69 96.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.264 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -67.49 -32.98 74.17 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 117.368 -1.733 . . . . 0.0 109.158 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.39 -49.93 74.63 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 124.436 1.085 . . . . 0.0 109.601 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 35.3 m0 -59.42 -43.61 93.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.318 0.58 . . . . 0.0 109.603 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.427 HG23 HD12 ' A' ' 43' ' ' ILE . 95.7 mt -63.73 -45.81 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.847 -178.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -36.0 80.62 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.177 -178.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 C--N 1.348 0.525 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.035 177.829 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.753 0.311 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.6 -43.03 99.82 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 4' ' ' LEU . 1.7 tm? -61.61 -42.31 98.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.38 -44.07 95.78 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.776 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -43.9 94.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.095 0.474 . . . . 0.0 110.063 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.668 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 56.8 t80 -60.55 -46.5 89.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.121 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.4 -42.02 98.07 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.041 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.52 -45.02 94.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.749 0.309 . . . . 0.0 111.566 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 t -60.75 -39.41 88.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.18 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.668 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 40.1 mmtm -72.26 -42.68 65.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.492 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.62 164.51 37.99 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -88.65 -32.99 17.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.36 82.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.163 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.71 -40.35 94.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -60.76 -46.72 89.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.558 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.93 -42.31 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.019 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -58.66 -47.29 84.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.74 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.44 98.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.655 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -63.81 -44.51 93.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.9 t -62.25 -42.24 99.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.716 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -120.37 87.18 2.7 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.918 0.389 . . . . 0.0 110.055 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.57 -23.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.927 0.87 . . . . 0.0 109.789 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.48 -40.74 99.48 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 69.9 mmtt -61.09 -40.45 93.78 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.94 -47.17 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.946 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -61.74 -43.03 99.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.308 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -58.5 -46.65 86.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.99 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.413 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.1 m95 -66.29 -38.62 88.19 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 119.105 -1.038 . . . . 0.0 110.721 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.59 -43.12 99.46 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.275 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -63.29 -44.01 96.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.056 0.455 . . . . 0.0 110.116 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.0 m -63.88 -37.11 86.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.16 15.5 44.47 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.4 155.6 34.92 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.81 0.338 . . . . 0.0 110.139 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.6 p -84.58 161.58 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.723 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -59.56 -40.11 86.23 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.817 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.79 -47.71 79.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.284 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.475 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 52.3 tt0 -61.46 -39.71 91.85 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.764 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.78 -45.17 97.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 123.621 0.576 . . . . 0.0 111.112 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -67.69 -34.69 77.4 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 117.566 -1.654 . . . . 0.0 110.178 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -57.22 -48.79 77.93 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 124.901 1.375 . . . . 0.0 109.646 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.475 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 21.8 m0 -61.93 -43.01 99.72 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 123.787 0.679 . . . . 0.0 110.378 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.413 HD11 HG23 ' A' ' 43' ' ' ILE . 88.4 mt -62.66 -45.81 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.378 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -36.24 78.55 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.93 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.0 t30 . . . . . 0 C--N 1.343 0.316 0 CA-C-N 118.098 0.408 . . . . 0.0 110.328 177.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.634 0.254 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.54 -43.66 99.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -59.76 -45.43 92.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.36 -43.7 98.21 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.691 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -61.6 -42.91 99.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.862 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.433 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 70.9 t80 -62.56 -44.86 95.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.969 0.414 . . . . 0.0 110.449 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.94 -42.71 99.42 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.853 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.27 -44.76 94.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.722 0.296 . . . . 0.0 110.775 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 m -60.2 -40.08 88.83 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.905 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -71.87 -42.69 66.56 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.802 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.47 167.61 40.04 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -90.41 -31.02 17.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.982 0.42 . . . . 0.0 110.936 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.69 98.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.345 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.1 mt -59.61 -44.21 93.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.399 0.618 . . . . 0.0 110.741 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -61.01 -45.24 95.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.59 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.0 -42.88 99.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.459 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.43 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 10.2 t-105 -59.4 -45.6 91.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.87 98.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.23 -44.82 90.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.19 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -61.25 -42.96 99.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.29 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -124.11 89.12 3.03 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.937 0.398 . . . . 0.0 110.666 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.32 -23.62 32.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 122.133 0.968 . . . . 0.0 109.887 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.58 -39.55 98.01 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.1 mmtt -62.52 -38.8 91.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.285 -0.538 . . . . 0.0 109.783 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.31 -46.52 96.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.713 0.768 . . . . 0.0 109.928 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -62.28 -42.76 99.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.477 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -59.13 -44.97 92.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.041 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.5 m95 -66.4 -39.15 88.84 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.93 -43.57 98.57 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.486 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -62.46 -43.95 97.58 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.6 p -69.26 -29.42 67.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.55 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.57 19.59 56.24 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.62 151.71 44.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.607 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 p -80.19 161.42 25.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.568 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 36' ' ' TYR . 2.1 m-85 -60.51 -41.9 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.416 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.99 -49.71 76.35 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.375 0.422 . . . . 0.0 111.455 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.512 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 52.8 tt0 -62.0 -38.59 89.16 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.135 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.0 -44.54 97.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 O-C-N 123.508 0.505 . . . . 0.0 110.95 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -66.79 -36.33 82.15 Favored 'General case' 0 C--O 1.204 -1.298 0 C-N-CA 118.062 -1.455 . . . . 0.0 109.581 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -56.82 -49.97 73.79 Favored 'General case' 0 C--N 1.344 0.34 0 O-C-N 125.149 1.53 . . . . 0.0 109.627 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 23.7 m0 -61.33 -43.74 98.37 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.031 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.409 HD12 HG21 ' A' ' 43' ' ' ILE . 92.1 mt -63.6 -45.83 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.201 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' OE1' ' C ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -65.6 -37.12 85.73 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.004 -178.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 . . . . . 0 C--N 1.352 0.691 0 CA-C-N 118.568 0.622 . . . . 0.0 110.444 178.147 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 121.013 0.435 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.81 -41.29 99.61 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.3 -44.69 95.19 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.36 -43.83 96.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.929 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -60.52 -43.75 96.78 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.361 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.698 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 73.3 t80 -59.93 -46.19 90.19 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.43 0.456 . . . . 0.0 110.373 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.58 -41.81 99.17 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.614 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.08 -43.81 97.49 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.291 0.369 . . . . 0.0 111.131 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 t -61.28 -39.43 90.37 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.093 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.698 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 41.1 mmtm -71.99 -43.45 65.1 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.325 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.5 155.09 25.78 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -76.56 -33.59 58.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.972 0.891 . . . . 0.0 109.674 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.39 97.39 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.428 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -61.78 -41.94 98.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.367 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.86 -45.21 94.79 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.7 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -61.18 -43.38 98.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.976 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -60.78 -44.57 96.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.751 0.31 . . . . 0.0 111.025 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.86 98.45 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.802 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.6 -43.63 93.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.8 t -62.55 -42.15 99.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.973 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -125.47 86.48 2.55 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.456 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.21 -23.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 122.22 1.009 . . . . 0.0 109.364 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.1 -40.47 98.14 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 23.7 mmtp -61.4 -41.17 96.7 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 122.004 -0.704 . . . . 0.0 110.25 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.42 -46.87 94.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.138 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.43 -43.99 97.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.557 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.44 -45.84 90.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.938 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 15.8 m95 -65.93 -39.37 90.46 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.574 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.35 -43.37 97.88 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.123 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.12 -43.46 98.37 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.442 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.3 t -61.93 -41.88 98.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.383 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.85 11.28 23.08 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 151.56 45.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 p -85.31 161.17 19.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.908 0.385 . . . . 0.0 110.786 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -61.47 -40.02 93.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.559 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.47 -51.44 65.59 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 53.4 tt0 -58.72 -39.35 80.57 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.427 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.7 mt -66.27 -43.1 91.82 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.703 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -66.6 -34.79 78.67 Favored 'General case' 0 CA--C 1.492 -1.287 0 C-N-CA 117.379 -1.728 . . . . 0.0 108.792 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.82 -49.64 75.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 124.809 1.318 . . . . 0.0 109.497 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 26.5 m0 -60.9 -43.38 98.61 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.994 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.436 HG22 HD13 ' A' ' 43' ' ' ILE . 93.7 mt -62.5 -45.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.298 -178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -36.44 78.62 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.679 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 m120 . . . . . 0 N--CA 1.45 -0.437 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.228 178.275 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.928 0.394 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.94 -39.21 97.09 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.51 -45.14 94.91 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.087 0.47 . . . . 0.0 109.94 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.98 -42.55 97.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.816 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.55 -44.13 96.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.348 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.93 -45.15 95.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.192 0.52 . . . . 0.0 110.607 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.6 mt -62.54 -40.8 97.97 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.441 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.81 -45.29 90.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.992 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -59.34 -39.94 84.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -71.41 -43.01 67.58 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.54 166.35 39.61 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -88.06 -31.13 19.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.239 0.543 . . . . 0.0 110.221 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.87 98.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.613 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.83 -43.07 98.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.193 0.52 . . . . 0.0 110.122 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -62.15 -45.53 93.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.685 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.08 -42.55 98.71 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.506 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -61.17 -45.02 96.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.458 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.03 98.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.592 0.558 . . . . 0.0 110.308 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -63.23 -45.06 93.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.266 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.0 m -61.77 -41.53 97.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.931 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -125.15 86.21 2.52 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.189 0.519 . . . . 0.0 110.79 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.82 -24.79 34.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.649 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.12 -39.63 97.89 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.4 mmtt -62.3 -39.85 94.37 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.1 t -62.08 -45.91 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.195 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -62.43 -43.57 98.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.181 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.77 -45.61 89.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.609 0.568 . . . . 0.0 111.179 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 9.8 m95 -67.0 -38.31 85.78 Favored 'General case' 0 C--O 1.227 -0.091 0 C-N-CA 118.78 -1.168 . . . . 0.0 110.733 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.54 -43.24 99.22 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.299 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.12 -43.48 98.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.022 0.439 . . . . 0.0 109.842 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 40.2 t -63.22 -43.33 98.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.734 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 97.33 5.57 57.98 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -48.18 176.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 0.0 110.434 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.8 p -97.59 156.13 16.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.541 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.77 -42.69 93.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -61.22 -51.71 67.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.477 0.656 . . . . 0.0 110.791 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.514 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.9 tt0 -58.56 -40.54 83.35 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.966 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.79 -44.79 98.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 O-C-N 123.181 0.301 . . . . 0.0 111.227 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -67.31 -34.16 76.78 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 117.724 -1.59 . . . . 0.0 109.834 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.62 -48.81 78.4 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 124.558 1.161 . . . . 0.0 109.393 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.514 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 20.1 m0 -60.97 -43.22 99.1 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.659 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.455 HG21 HD13 ' A' ' 43' ' ' ILE . 87.7 mt -62.21 -46.71 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.496 -178.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -36.05 77.8 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 119.762 -0.775 . . . . 0.0 111.185 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 24.2 t-20 . . . . . 0 C--N 1.342 0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.123 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.219 0.533 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.97 99.71 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.43 -44.58 96.88 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.43 -43.56 98.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.188 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -60.17 -45.48 92.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.153 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.09 -45.57 90.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.295 0.569 . . . . 0.0 110.917 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.88 -42.31 99.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.749 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -43.25 99.27 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.969 0.793 . . . . 0.0 109.813 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.6 t -63.02 -40.22 97.11 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.94 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -72.39 -41.57 66.17 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.656 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.87 153.57 19.98 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.358 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -74.93 -34.24 62.08 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.68 92.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.935 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.99 -42.71 98.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.547 0.689 . . . . 0.0 110.266 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -61.9 -46.29 90.03 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.584 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -60.54 -42.84 97.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.876 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -59.77 -45.94 90.72 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.37 0.419 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.76 99.56 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.237 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.59 -44.97 94.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.633 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -61.05 -42.1 97.84 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.018 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -128.61 90.99 3.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.728 0.299 . . . . 0.0 110.788 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.45 -23.41 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.848 0.832 . . . . 0.0 109.473 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.78 99.78 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.3 mmtt -61.05 -39.69 90.78 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.42 -47.34 93.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.66 0.743 . . . . 0.0 110.782 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -62.51 -43.48 98.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.334 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -58.54 -45.96 87.83 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 123.617 0.573 . . . . 0.0 111.119 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.5 m95 -66.39 -39.05 88.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.985 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.3 mt -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.366 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -61.97 -43.05 99.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.033 0.444 . . . . 0.0 110.122 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.3 m -60.49 -39.41 87.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.764 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.69 14.47 49.83 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.09 -167.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.939 0.399 . . . . 0.0 110.479 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.9 p -112.89 148.79 34.2 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -58.64 -42.94 89.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.468 0.48 . . . . 0.0 110.655 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -62.06 -51.16 69.09 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.429 0.633 . . . . 0.0 110.67 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -57.95 -41.27 82.48 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.989 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.44 -44.41 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.341 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -67.29 -33.39 75.2 Favored 'General case' 0 C--O 1.211 -0.959 0 C-N-CA 117.326 -1.749 . . . . 0.0 108.942 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -57.66 -48.76 78.61 Favored 'General case' 0 CA--C 1.513 -0.476 0 O-C-N 124.233 0.958 . . . . 0.0 109.859 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -60.27 -43.18 96.4 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.825 0.703 . . . . 0.0 109.572 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.418 HD13 HG23 ' A' ' 43' ' ' ILE . 96.5 mt -63.69 -46.33 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.338 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -35.99 80.56 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.381 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.6 t30 . . . . . 0 CA--C 1.535 0.401 0 CA-C-N 118.143 0.429 . . . . 0.0 110.269 177.778 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.561 0.22 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.95 99.67 Favored Glycine 0 C--O 1.227 -0.316 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -59.82 -45.94 90.8 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.056 -0.572 . . . . 0.0 109.823 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.4 -43.54 97.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -59.16 -44.61 92.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.466 . . . . 0.0 110.337 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.03 -45.92 92.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.72 -41.12 97.2 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.201 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.93 -46.2 88.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.9 m -59.47 -39.13 82.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.361 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -71.41 -44.28 65.19 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.16 159.05 32.3 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -80.76 -33.19 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.361 0.6 . . . . 0.0 109.784 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.28 96.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.128 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 mt -61.38 -43.25 99.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.252 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.67 -45.31 94.63 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.266 0.555 . . . . 0.0 110.547 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -61.34 -43.78 98.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.079 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -59.51 -45.62 91.18 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.564 0.54 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -63.69 -44.31 94.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.687 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.8 m -60.97 -42.46 98.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.609 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -124.33 89.68 3.12 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 110.671 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.81 -25.28 32.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.787 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.4 -39.28 97.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -63.22 -39.75 95.53 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.287 -0.537 . . . . 0.0 109.933 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.17 -46.83 95.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.761 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -61.42 -44.3 97.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.448 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -58.02 -45.68 86.52 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.443 0.464 . . . . 0.0 110.953 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -66.93 -39.59 87.37 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.787 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.09 -43.44 98.89 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.276 -0.569 . . . . 0.0 109.76 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.94 -44.97 95.66 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.14 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -63.14 -35.28 79.76 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.825 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.99 8.45 66.98 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.52 177.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.998 0.428 . . . . 0.0 110.569 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 p -99.74 157.09 16.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.958 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.78 -40.29 92.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -61.79 -51.81 66.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.963 0.887 . . . . 0.0 110.796 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.63 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 32.1 tt0 -58.9 -41.26 86.77 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.13 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.08 -43.9 99.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.257 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -67.98 -34.76 77.15 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 117.811 -1.555 . . . . 0.0 110.159 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.67 -48.66 78.88 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 125.229 1.581 . . . . 0.0 108.788 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.63 ' CH2' ' NE2' ' A' ' 38' ' ' GLN . 31.0 m0 -60.81 -43.85 97.64 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.132 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 43' ' ' ILE . 90.1 mt -62.26 -47.06 94.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.323 -178.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -35.45 79.15 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.94 -178.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.419 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 50.1 t-20 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.465 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.745 0.307 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.06 99.64 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.2 -45.21 93.95 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.396 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.87 -43.46 96.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.141 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -59.21 -44.92 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.941 0.401 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -59.62 -46.04 90.15 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.536 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 mt -63.14 -41.52 99.3 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.239 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.04 -43.42 98.72 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.292 0.37 . . . . 0.0 110.682 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -62.81 -39.57 94.68 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.784 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' CD ' ' HZ2' ' A' ' 40' ' ' LYS . 65.8 mmtt -71.61 -42.37 67.77 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.901 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.43 164.09 37.39 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -87.65 -32.13 19.41 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.303 0.573 . . . . 0.0 110.236 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.66 99.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.323 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.52 -42.18 98.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.216 0.531 . . . . 0.0 110.31 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -62.46 -45.1 94.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.361 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -60.43 -43.63 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.829 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -59.94 -46.35 89.67 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.595 0.559 . . . . 0.0 111.119 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.38 98.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.924 0.392 . . . . 0.0 110.908 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.32 -44.8 90.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.774 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -60.9 -42.12 97.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.325 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -128.88 87.35 2.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.136 0.493 . . . . 0.0 111.152 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.05 -23.84 34.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 122.597 1.189 . . . . 0.0 109.576 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.58 -39.77 97.96 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.7 mmtt -61.37 -40.56 94.76 Favored 'General case' 0 C--O 1.249 1.053 0 O-C-N 122.31 -0.524 . . . . 0.0 110.184 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.97 -46.21 97.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 O-C-N 124.137 0.898 . . . . 0.0 110.331 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -62.39 -43.65 98.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.448 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.14 -45.31 91.3 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.348 0.405 . . . . 0.0 111.382 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.7 m95 -66.58 -39.02 88.25 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.796 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.43 -42.13 99.22 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.59 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.9 -43.27 99.25 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -61.38 -42.22 98.37 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.172 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 102.74 1.01 49.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -46.58 177.18 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.779 0.324 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 p -99.92 150.58 22.26 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.043 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -58.57 -40.85 84.26 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.403 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.5 -50.81 68.16 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.324 0.583 . . . . 0.0 110.94 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.59 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.5 tt0 -58.62 -40.78 84.27 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 121.61 -0.681 . . . . 0.0 111.128 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.38 -43.58 97.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.409 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.421 ' HZ2' ' CD ' ' A' ' 11' ' ' LYS . 46.8 pttt -68.51 -33.56 74.34 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 117.585 -1.646 . . . . 0.0 109.638 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -56.67 -49.29 75.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 124.638 1.212 . . . . 0.0 109.206 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 33.3 m0 -59.89 -45.08 93.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.404 0.621 . . . . 0.0 109.829 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 43' ' ' ILE . 96.9 mt -62.99 -45.55 98.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.369 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -35.88 80.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.618 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 C--O 1.234 0.274 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.072 178.058 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.89 0.376 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.49 99.83 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.38 -44.24 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.19 -43.78 98.07 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.332 0.395 . . . . 0.0 110.456 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -59.67 -45.21 92.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.36 -46.8 88.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.442 0.639 . . . . 0.0 110.595 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.6 -42.76 97.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.505 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.35 -44.68 90.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.412 . . . . 0.0 111.655 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.9 m -60.58 -39.32 87.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.148 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -72.01 -43.25 65.34 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.181 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.27 149.89 14.38 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -74.13 -33.83 63.67 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 122.221 1.01 . . . . 0.0 108.969 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.49 98.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.482 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.34 -44.39 95.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.401 0.619 . . . . 0.0 110.459 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.27 -44.94 96.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.138 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -62.09 -43.71 98.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -59.19 -44.82 92.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.592 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.08 99.52 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.564 0.54 . . . . 0.0 110.381 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.28 -43.7 97.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.894 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 t -63.69 -42.72 97.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.25 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -129.87 86.26 2.39 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 110.774 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.41 -25.05 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.065 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.49 -48.04 87.92 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.041 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 22.7 mmtp -62.46 -36.7 83.29 Favored 'General case' 0 C--O 1.257 1.499 0 CA-C-O 121.757 0.789 . . . . 0.0 110.653 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.6 -44.6 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.332 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -58.64 -42.08 87.5 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.271 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -52.27 -52.71 51.15 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.595 1.185 . . . . 0.0 111.156 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.2 m-90 -71.83 -33.86 68.82 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 118.271 -1.372 . . . . 0.0 112.398 -177.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.62 -42.53 99.02 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.996 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.5 -42.89 91.6 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.45 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.0 p -68.64 -32.6 72.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.657 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.51 30.93 14.41 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.43 155.95 38.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.258 0.551 . . . . 0.0 110.656 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.2 p -65.3 140.41 58.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.494 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -58.13 -39.59 79.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.993 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.86 -48.08 80.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.877 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.544 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.0 tt0 -60.61 -39.19 87.27 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.147 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.9 -47.75 91.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 O-C-N 123.83 0.707 . . . . 0.0 111.154 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -66.6 -34.38 77.75 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 117.375 -1.73 . . . . 0.0 109.689 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -57.3 -49.7 75.27 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.28 0.988 . . . . 0.0 109.921 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.544 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 20.9 m0 -62.78 -40.67 98.04 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.116 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.24 -45.36 98.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.444 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -36.85 81.65 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.021 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.248 177.746 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.86 -41.34 99.89 Favored Glycine 0 CA--C 1.518 0.219 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.494 ' CD1' ' C ' ' A' ' 4' ' ' LEU . 2.3 tm? -62.08 -42.41 99.18 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.852 0.358 . . . . 0.0 110.686 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.65 -43.85 95.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.504 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.68 -43.73 97.35 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.574 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.92 -46.25 89.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.129 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.08 -42.61 99.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.693 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.77 -43.5 98.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.443 0.464 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 t -61.55 -40.12 93.55 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.413 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -71.95 -42.38 66.66 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.736 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.22 164.51 38.06 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -91.34 -32.7 15.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.941 0.401 . . . . 0.0 111.241 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.62 96.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.277 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.19 -42.11 98.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 110.391 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.63 -45.76 92.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.153 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -61.31 -43.24 99.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.921 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -58.83 -46.83 86.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.706 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.02 -42.69 99.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.875 0.369 . . . . 0.0 110.47 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.53 -44.48 96.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.742 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -62.92 -42.45 99.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.45 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -124.09 86.27 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.753 0.311 . . . . 0.0 110.679 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -65.95 -25.79 36.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 122.276 1.036 . . . . 0.0 109.919 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.52 -40.41 97.73 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 29.5 mmtp -63.28 -39.27 94.1 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 121.765 -0.844 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.93 -45.63 98.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.012 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -62.32 -43.51 98.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.28 -45.43 91.26 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.464 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.9 m95 -66.44 -39.6 88.97 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.766 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.92 -42.57 99.84 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.223 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -61.29 -43.29 99.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -60.23 -44.13 95.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.11 15.35 30.92 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.76 -176.88 0.13 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.441 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 p -102.78 153.43 20.17 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.34 -43.27 92.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.481 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.51 -50.41 72.81 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 121.637 0.732 . . . . 0.0 111.023 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 56.1 tt0 -59.42 -40.81 87.9 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.396 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.16 -43.96 97.47 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.935 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -67.85 -33.87 75.61 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 117.795 -1.562 . . . . 0.0 109.745 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -57.04 -49.7 75.0 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 124.886 1.366 . . . . 0.0 108.748 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.433 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 24.0 m0 -59.62 -43.7 93.7 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.866 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.408 HD13 HG23 ' A' ' 43' ' ' ILE . 96.2 mt -62.75 -46.97 95.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.793 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.48 78.27 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.005 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 . . . . . 0 C--N 1.351 0.669 0 CA-C-O 121.325 0.583 . . . . 0.0 110.044 177.698 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.22 0 CA-C-O 120.526 0.203 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.08 -39.76 98.4 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.18 -46.18 90.57 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 124.148 0.557 . . . . 0.0 109.592 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.37 -43.64 97.05 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.612 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.9 -44.5 94.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.827 0.346 . . . . 0.0 110.489 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.44 -42.22 98.68 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.361 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.0 -43.74 97.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.305 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.9 m -59.82 -40.08 87.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.779 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -71.95 -42.4 66.64 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.936 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.23 165.83 38.44 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -91.5 -31.72 15.85 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.268 0.556 . . . . 0.0 110.203 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.41 98.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.22 -42.66 98.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.234 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -61.17 -46.17 91.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.245 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.07 -43.44 98.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.418 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -59.1 -46.77 87.45 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.743 0.652 . . . . 0.0 110.366 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.65 97.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.677 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.36 -44.58 94.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.8 m -60.95 -41.94 97.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.297 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -127.64 91.07 3.22 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.863 0.363 . . . . 0.0 110.623 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 m -68.84 -24.18 28.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.884 0.85 . . . . 0.0 109.345 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.95 99.71 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 39.8 mmtm -61.51 -39.73 92.06 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 122.512 -0.405 . . . . 0.0 109.976 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.8 -46.9 95.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.914 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -62.72 -43.19 99.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.162 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -57.44 -47.53 81.56 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.802 0.689 . . . . 0.0 111.436 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 14.1 m95 -66.81 -38.62 86.82 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.005 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.18 -41.94 99.28 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.474 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.39 -42.7 98.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.922 0.391 . . . . 0.0 110.436 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -66.95 -21.57 65.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.632 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.9 19.07 63.94 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.65 157.07 28.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.401 . . . . 0.0 110.974 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.3 p -82.75 149.77 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.757 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -59.97 -41.36 91.8 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.735 0.647 . . . . 0.0 110.935 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -64.21 -50.28 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.886 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 53.2 tt0 -58.85 -41.05 86.06 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.166 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.62 -44.14 98.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 O-C-N 123.402 0.439 . . . . 0.0 111.565 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -68.43 -33.74 74.75 Favored 'General case' 0 CA--C 1.499 -1.005 0 C-N-CA 117.41 -1.716 . . . . 0.0 109.452 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -56.99 -49.93 74.26 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 124.799 1.312 . . . . 0.0 109.137 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 24.0 m0 -59.71 -43.88 93.95 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.957 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.28 -45.8 97.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.525 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -36.32 79.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.576 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.7 t30 . . . . . 0 CA--C 1.533 0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 177.803 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.208 0 CA-C-O 120.749 0.309 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.28 -42.95 98.96 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.49 -46.16 89.62 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.796 0.331 . . . . 0.0 110.314 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.55 -43.77 97.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.381 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -59.27 -45.28 91.66 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.078 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -59.89 -45.59 92.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.528 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.83 -42.2 99.63 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.223 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.62 -44.2 96.9 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.402 0.439 . . . . 0.0 110.711 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -61.07 -40.44 93.68 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.646 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -71.36 -42.8 68.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.225 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.87 161.93 35.72 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -84.44 -32.67 23.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.213 0.53 . . . . 0.0 110.575 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.14 96.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.383 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.37 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 110.593 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -61.38 -45.02 96.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.593 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.64 -43.21 99.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.225 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -59.77 -45.76 91.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.5 97.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.61 -44.32 90.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.067 0.461 . . . . 0.0 110.443 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -61.38 -42.03 98.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.531 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -128.62 89.32 2.87 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.005 0.431 . . . . 0.0 110.81 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.95 -25.7 36.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.704 0.764 . . . . 0.0 109.319 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.2 -41.84 99.72 Favored Glycine 0 C--O 1.219 -0.825 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.4 mmtt -59.94 -41.53 92.02 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 122.334 -0.51 . . . . 0.0 110.079 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.06 -46.32 96.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 123.912 0.757 . . . . 0.0 110.269 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -62.72 -43.68 98.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.758 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -58.51 -46.4 86.81 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.719 0.637 . . . . 0.0 110.814 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.47 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.5 m95 -66.05 -39.53 90.19 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.81 -42.79 99.46 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.465 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.3 -42.57 99.47 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 t -61.91 -42.41 99.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.192 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.57 8.13 52.72 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.31 -178.2 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.309 . . . . 0.0 110.399 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.6 p -102.24 149.35 24.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.014 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -58.73 -43.26 90.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.639 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 38' ' ' GLN . 7.1 pt-20 -62.03 -49.17 77.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.31 0.576 . . . . 0.0 111.16 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.571 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 33.0 tt0 -59.07 -41.67 88.53 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.924 -0.485 . . . . 0.0 111.266 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.27 -44.19 97.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 123.56 0.538 . . . . 0.0 110.943 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -68.19 -34.02 75.51 Favored 'General case' 0 C--O 1.209 -1.054 0 C-N-CA 117.396 -1.722 . . . . 0.0 110.029 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -56.92 -48.79 77.43 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.795 1.309 . . . . 0.0 108.962 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.571 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 29.8 m0 -59.83 -44.77 93.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.514 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.28 -45.69 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.165 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -36.28 81.57 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.845 -178.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.422 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 43.9 t-20 . . . . . 0 CA--C 1.534 0.351 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.301 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.61 -41.98 99.68 Favored Glycine 0 N--CA 1.464 0.535 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.31 -45.32 93.79 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.62 -43.27 97.34 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.832 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -43.98 93.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.939 0.4 . . . . 0.0 110.386 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -61.0 -45.58 94.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.708 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.99 -41.38 97.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.416 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.7 tp -64.19 -45.19 89.44 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.483 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -59.82 -39.65 85.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.037 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -72.36 -43.52 63.89 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.783 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.92 150.04 15.71 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.558 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.38 -34.41 61.11 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 121.64 0.733 . . . . 0.0 109.205 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.45 97.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.845 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.47 -43.65 98.49 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.394 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -61.97 -44.68 96.24 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.204 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.05 -43.67 98.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.264 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -60.08 -44.97 94.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.551 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.94 99.48 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.43 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -63.13 -44.19 96.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.816 0.341 . . . . 0.0 110.959 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.8 m -60.7 -43.17 98.1 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.756 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -130.11 88.04 2.6 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.5 m -69.58 -27.69 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.542 0.687 . . . . 0.0 109.88 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.25 -46.72 93.89 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.615 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 66.6 mmtt -61.09 -35.75 77.84 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 121.488 -1.007 . . . . 0.0 110.908 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.08 -44.69 91.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-O 121.701 0.762 . . . . 0.0 109.65 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.91 -41.82 96.85 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.07 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -52.69 -51.78 58.8 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.949 1.406 . . . . 0.0 110.675 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.615 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.8 m-90 -72.9 -33.06 65.78 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 117.474 -1.691 . . . . 0.0 111.926 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.2 -43.89 92.25 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.469 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.98 -44.35 85.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.888 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -59.4 -21.71 60.34 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.76 13.95 61.94 Favored Glycine 0 N--CA 1.468 0.821 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.68 152.61 43.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.157 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -76.02 153.27 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.535 0.683 . . . . 0.0 111.136 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -60.07 -36.77 78.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.621 0.724 . . . . 0.0 109.885 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.0 -49.46 70.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.562 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.543 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.2 tt0 -59.33 -39.72 84.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.098 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 39' ' ' ILE . 89.9 mt -62.33 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 O-C-N 123.919 0.762 . . . . 0.0 111.616 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -67.71 -34.4 76.8 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 117.653 -1.619 . . . . 0.0 109.714 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -57.5 -50.62 72.46 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.68 1.237 . . . . 0.0 109.8 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.543 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 18.4 m0 -62.23 -40.58 96.61 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.281 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 43' ' ' ILE . 84.8 mt -62.59 -46.71 95.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -36.51 80.55 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 120.066 -0.654 . . . . 0.0 111.181 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.354 178.353 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 120.743 0.306 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.27 -40.84 99.16 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 110.185 -1.166 . . . . 0.0 110.185 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 4' ' ' LEU . 2.5 tm? -61.89 -45.11 95.16 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.118 0.485 . . . . 0.0 110.779 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.49 -43.96 97.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.117 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -59.27 -45.24 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.86 -45.79 91.36 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.887 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.35 -42.41 99.37 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.218 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.06 -44.83 94.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.598 0.561 . . . . 0.0 110.58 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -60.21 -40.19 89.25 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.992 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -72.1 -42.25 66.32 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.49 164.33 37.94 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -90.3 -31.79 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 111.149 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.4 86.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.66 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.64 -41.23 97.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.162 0.506 . . . . 0.0 109.785 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.93 -47.54 85.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.69 -42.88 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.889 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -59.82 -46.72 88.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.814 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.21 96.42 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.418 0.449 . . . . 0.0 110.333 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.63 -45.05 88.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.67 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.0 t -61.38 -43.14 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.586 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -122.98 88.93 3.02 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.945 0.403 . . . . 0.0 110.398 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.72 -24.03 32.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.343 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.17 -42.72 99.73 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 2.4 mptm? -61.63 -40.21 94.04 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.785 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.97 -47.0 95.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 O-C-N 123.912 0.757 . . . . 0.0 109.984 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -62.86 -42.82 99.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.005 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.24 -45.32 91.46 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.984 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.4 m95 -66.93 -38.35 86.0 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 119.134 -1.026 . . . . 0.0 110.507 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.97 -42.73 99.92 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.357 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.12 -42.75 99.54 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.559 -0.457 . . . . 0.0 109.793 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 m -60.52 -39.6 88.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.94 0.4 . . . . 0.0 110.731 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.34 10.38 55.89 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.28 -178.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.2 p -102.89 153.3 20.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.048 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -59.08 -42.79 91.28 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.454 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -61.91 -52.3 64.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.852 0.834 . . . . 0.0 110.829 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.612 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 34.0 tt0 -57.51 -40.73 79.34 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.61 -45.05 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.405 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -67.45 -33.84 75.95 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.199 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -57.16 -49.15 76.87 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 124.767 1.292 . . . . 0.0 109.102 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.612 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 36.0 m0 -60.28 -44.29 95.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.466 0.651 . . . . 0.0 110.233 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 43' ' ' ILE . 95.5 mt -62.12 -46.35 96.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.368 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -36.55 78.65 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.569 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 49.2 t-20 . . . . . 0 C--O 1.237 0.4 0 CA-C-N 118.42 0.555 . . . . 0.0 110.643 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.893 0.377 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.02 -42.05 99.71 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -59.72 -45.48 92.04 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.024 0.44 . . . . 0.0 109.877 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.84 -42.81 97.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.449 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -60.3 -43.89 95.89 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -60.2 -45.43 93.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.225 0.536 . . . . 0.0 111.06 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.62 -42.29 99.5 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.208 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.29 -44.2 95.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.523 0.514 . . . . 0.0 110.687 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.9 t -61.4 -40.15 93.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 120.984 -0.287 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -71.82 -41.97 67.58 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.067 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.11 160.74 34.32 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.757 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -86.76 -32.67 20.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.311 0.577 . . . . 0.0 109.716 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.36 97.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.047 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 mt -61.37 -41.94 97.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.98 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -62.04 -44.91 95.69 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.425 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -61.54 -43.28 99.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.939 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -59.05 -46.4 88.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.705 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.37 97.1 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.866 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -64.16 -43.94 93.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.174 0.512 . . . . 0.0 110.7 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.1 m -62.81 -41.65 99.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.743 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -133.04 86.29 2.29 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.568 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.2 m -68.46 -26.92 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.376 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.06 -48.54 85.6 Favored Glycine 0 C--O 1.218 -0.866 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.857 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 66.4 mmtt -60.84 -36.73 79.85 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.742 -0.858 . . . . 0.0 110.899 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.4 t -65.18 -45.15 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.637 0.732 . . . . 0.0 109.147 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -59.73 -42.81 93.99 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.42 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -53.59 -50.26 66.0 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 124.801 1.313 . . . . 0.0 110.803 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.619 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 6.8 m-90 -73.26 -33.63 65.37 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 117.435 -1.706 . . . . 0.0 111.772 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.06 -44.0 95.03 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.645 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -65.92 -43.03 89.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 110.431 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 m -58.74 -39.23 80.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.969 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.6 15.61 20.27 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.483 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.98 153.51 40.4 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.247 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -72.13 151.95 42.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.506 0.67 . . . . 0.0 110.671 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -61.1 -36.77 80.56 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.432 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -64.9 -47.27 78.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.666 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.53 ' CD ' ' CH2' ' A' ' 42' ' ' TRP . 51.9 tt0 -60.74 -39.55 89.1 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.223 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.08 -47.52 92.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -66.65 -34.62 78.27 Favored 'General case' 0 CA--C 1.495 -1.166 0 C-N-CA 117.34 -1.744 . . . . 0.0 110.2 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -58.02 -49.17 77.77 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 124.897 1.373 . . . . 0.0 110.145 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.53 ' CH2' ' CD ' ' A' ' 38' ' ' GLN . 18.3 m0 -63.34 -40.69 98.0 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.284 -0.967 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.61 -46.45 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.12 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -36.0 78.47 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 118.589 -0.72 . . . . 0.0 110.682 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 . . . . . 0 C--N 1.351 0.639 0 CA-C-N 118.708 0.685 . . . . 0.0 110.386 177.552 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.216 0 CA-C-O 121.084 0.469 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.59 99.55 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.25 -45.54 92.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.853 0.358 . . . . 0.0 110.185 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.32 -43.49 97.66 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.482 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -60.39 -44.36 95.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -60.18 -45.26 93.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.152 0.501 . . . . 0.0 110.443 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 mt -62.68 -42.19 99.49 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.209 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.21 -43.46 98.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.338 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.1 m -61.66 -39.83 92.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.049 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -71.44 -42.69 67.89 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.512 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.24 163.15 36.65 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.621 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.643 ' NH2' HD22 ' A' ' 17' ' ' ASN . 77.9 ttt-85 -88.51 -31.92 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.988 0.423 . . . . 0.0 110.513 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.69 97.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.725 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.92 -42.56 98.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.191 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.22 -45.31 95.09 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.104 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.643 HD22 ' NH2' ' A' ' 13' ' ' ARG . 90.0 m-20 -61.82 -43.53 98.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.458 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -58.48 -46.43 86.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.13 99.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.587 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.35 -44.93 95.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.654 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.4 t -61.91 -42.92 99.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.816 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -134.86 88.78 2.46 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.811 0.339 . . . . 0.0 110.959 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.45 -26.99 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.185 0.516 . . . . 0.0 110.78 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.92 -44.54 98.01 Favored Glycine 0 C--O 1.216 -1.005 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 23.2 mmtp -62.27 -37.68 86.43 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 117.26 0.53 . . . . 0.0 111.219 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.7 t -66.68 -44.35 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -58.1 -44.5 87.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.444 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -52.38 -51.2 60.23 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 124.723 1.264 . . . . 0.0 111.073 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.3 m-90 -74.25 -32.9 63.14 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 117.729 -1.588 . . . . 0.0 112.271 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.52 -43.78 93.33 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.336 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.37 -43.78 93.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.8 m -59.73 -41.01 89.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.68 15.72 11.79 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.47 151.21 46.9 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.055 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 p -75.43 156.16 35.6 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 111.129 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -61.1 -41.21 96.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.44 -48.84 77.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.016 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.662 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 39.7 tt0 -58.93 -41.76 88.11 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.69 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.66 -46.59 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 O-C-N 123.887 0.742 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -68.2 -34.28 75.97 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 117.02 -1.872 . . . . 0.0 110.664 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -58.11 -48.02 81.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.338 1.024 . . . . 0.0 109.488 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.662 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 48.1 m0 -62.12 -42.64 99.43 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.04 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.02 -44.83 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -35.52 79.06 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.403 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.8 t30 . . . . . 0 C--N 1.343 0.289 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.877 177.348 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 121.287 0.565 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.95 -43.08 99.44 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 4' ' ' LEU . 2.7 tm? -59.71 -44.57 93.66 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.02 -44.1 96.89 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.67 0.606 . . . . 0.0 110.46 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -59.4 -44.64 92.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.961 0.41 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.574 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 73.7 t80 -60.57 -46.86 88.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.879 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.08 -41.18 97.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.317 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.05 -44.71 95.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.745 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.418 ' HG ' ' N ' ' A' ' 11' ' ' LYS . 78.0 p -62.13 -37.31 84.68 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.305 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.574 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 41.4 mmtm -72.88 -43.06 62.98 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.1 160.9 34.71 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -86.28 -32.22 21.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.192 0.52 . . . . 0.0 110.625 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.18 99.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.919 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.11 -40.67 98.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.0 110.027 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -61.67 -46.32 90.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.161 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.87 -42.56 98.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.403 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -59.92 -46.98 87.65 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.53 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.69 97.79 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.26 -45.14 89.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.732 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.0 p -62.4 -41.6 98.79 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.919 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -127.06 86.69 2.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.289 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.01 -24.08 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.946 0.879 . . . . 0.0 109.503 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.51 -40.26 98.88 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 28.0 mmtp -62.5 -39.98 95.26 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 122.328 -0.513 . . . . 0.0 110.354 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.83 -46.32 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 O-C-N 124.095 0.872 . . . . 0.0 109.623 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -62.2 -43.56 98.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.878 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 28' ' ' GLU . 8.0 tm-20 -59.02 -45.1 91.55 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.558 0.536 . . . . 0.0 111.465 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 13.8 m95 -67.7 -38.86 84.21 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 118.811 -1.156 . . . . 0.0 110.27 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.34 -43.26 99.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.395 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.33 -43.98 97.97 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.249 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.5 p -63.48 -31.23 72.33 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.28 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.44 26.63 29.8 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.02 171.44 13.47 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 p -89.39 151.6 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.589 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -61.05 -40.05 92.15 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.231 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.97 -52.62 58.8 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.453 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 57.6 tt0 -56.89 -40.75 76.8 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.176 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -65.05 -45.02 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.427 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HZ3' ' HE2' ' A' ' 11' ' ' LYS . 16.2 pttm -68.01 -33.1 73.97 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 117.696 -1.602 . . . . 0.0 109.152 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -57.48 -49.65 75.59 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 124.611 1.194 . . . . 0.0 108.618 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.453 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 25.4 m0 -59.32 -44.11 92.6 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.843 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.15 -47.4 93.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.624 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -35.97 79.75 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.696 -178.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 CA--C 1.535 0.369 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.627 178.269 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.497 ' C ' ' O1 ' ' A' ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.87 97.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.527 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.414 ' N ' ' O1 ' ' A' ' 1' ' ' FME . . . -61.41 -43.2 99.64 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.5 -45.3 92.11 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 124.155 0.562 . . . . 0.0 109.527 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.5 -43.69 96.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.72 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -60.38 -43.39 96.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.361 . . . . 0.0 110.651 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.33 -45.8 92.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.17 0.509 . . . . 0.0 110.353 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.1 -40.48 96.02 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.634 -0.827 . . . . 0.0 110.5 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.07 -44.63 91.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.9 p -60.87 -38.31 85.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.179 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -72.5 -43.95 62.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.953 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.99 158.48 31.4 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.51 -33.61 25.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.372 0.606 . . . . 0.0 109.809 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.93 98.72 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.26 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.57 -42.35 98.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.894 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.38 -45.15 94.47 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.56 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.17 -43.43 98.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.311 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -60.46 -44.17 96.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.036 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.88 99.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.389 . . . . 0.0 110.686 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.02 -44.37 92.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.563 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 t -61.72 -42.36 98.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.528 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -125.66 87.6 2.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.065 0.46 . . . . 0.0 110.882 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -65.8 -25.43 36.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.995 0.902 . . . . 0.0 109.04 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.35 -42.14 99.7 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 68.9 mmtt -61.02 -40.32 93.14 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.896 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.98 -46.46 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 O-C-N 124.014 0.821 . . . . 0.0 109.79 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -62.51 -44.27 96.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.652 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.3 -45.77 87.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.3 m95 -66.43 -39.28 88.84 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 119.496 -0.882 . . . . 0.0 110.754 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.12 -42.14 99.47 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.375 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.6 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -61.2 -37.82 84.35 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.434 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 95.92 6.28 59.32 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -50.9 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.105 0.478 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.8 p -107.17 150.72 26.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.287 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -57.99 -41.84 83.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.65 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.68 -50.63 70.39 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.646 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.591 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 32.3 tt0 -58.5 -41.16 84.74 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.135 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.27 -44.57 97.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -67.33 -34.42 77.29 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 117.473 -1.691 . . . . 0.0 109.615 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -56.92 -49.62 75.06 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 124.611 1.195 . . . . 0.0 108.911 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.591 ' CH2' ' NE2' ' A' ' 38' ' ' GLN . 34.6 m0 -58.61 -44.28 89.87 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.308 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.61 -46.45 96.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.731 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -35.55 77.23 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.729 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -63.24 -42.57 99.23 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.647 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.38 96.62 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 tt -60.02 -44.71 94.43 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.714 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.02 -42.09 99.73 Favored Glycine 0 C--N 1.336 0.583 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -62.45 -39.8 94.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.691 0.282 . . . . 0.0 110.611 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.744 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.73 94.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.689 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.05 -41.95 99.71 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 4' ' ' LEU . 2.4 tm? -61.22 -44.17 97.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.96 -44.05 97.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.71 0.291 . . . . 0.0 110.286 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -60.33 -44.82 95.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.284 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.06 -45.49 92.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.9 mt -63.01 -42.18 99.76 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.442 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.67 -43.96 97.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.676 0.274 . . . . 0.0 110.444 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.4 t -60.87 -40.95 94.91 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.922 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -71.47 -42.06 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.87 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.61 160.54 33.72 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -85.26 -33.14 22.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.239 0.542 . . . . 0.0 110.391 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.53 85.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.816 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.4 -41.05 96.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.259 0.552 . . . . 0.0 110.332 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -60.58 -46.18 91.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.8 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -61.54 -41.3 97.16 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.965 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -58.96 -47.72 84.11 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.929 0.768 . . . . 0.0 110.611 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.7 98.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.625 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -64.16 -44.91 90.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -62.81 -40.58 97.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.498 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -124.96 86.4 2.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.007 0.432 . . . . 0.0 110.629 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.5 m -66.44 -24.89 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.426 0.631 . . . . 0.0 109.41 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.01 99.65 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 29.4 mmtp -62.0 -40.08 94.42 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 122.434 -0.45 . . . . 0.0 109.84 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.4 t -61.15 -46.76 96.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.081 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -62.15 -43.22 99.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -59.39 -45.47 91.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.558 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.424 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.7 m95 -66.32 -39.64 89.42 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 119.381 -0.928 . . . . 0.0 110.339 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mp -63.01 -42.86 99.94 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.323 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.88 -43.75 94.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 t -60.6 -42.43 96.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.734 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 102.64 2.63 49.96 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -50.15 179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.319 . . . . 0.0 110.453 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.9 p -103.6 154.06 19.92 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.083 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -59.83 -41.15 90.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.45 -50.35 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.615 0.721 . . . . 0.0 110.592 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.623 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.4 tt0 -58.95 -40.8 85.79 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.94 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.54 -43.97 98.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.296 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -68.19 -34.55 76.49 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 117.989 -1.484 . . . . 0.0 109.697 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -56.85 -49.11 76.44 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 108.799 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.623 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 31.6 m0 -59.95 -44.61 94.31 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.328 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.73 -45.26 99.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.444 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -36.41 78.15 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.6 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.07 -42.08 99.58 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.34 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.82 97.75 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.06 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.15 -43.7 95.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.462 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.22 -42.59 97.85 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -61.43 -41.61 97.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.309 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.85 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.85 97.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.535 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.77 99.51 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.5 -45.05 95.23 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.237 0.542 . . . . 0.0 109.857 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.61 -43.76 95.94 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.46 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.79 -44.26 97.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.488 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -60.42 -45.39 93.78 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.891 0.376 . . . . 0.0 111.101 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.95 -42.23 99.75 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.956 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 tt -62.91 -43.84 97.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.384 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.13 -40.05 92.32 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.18 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -71.69 -40.87 69.27 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.479 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.92 163.13 36.9 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.557 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -88.23 -36.35 16.8 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.479 0.657 . . . . 0.0 109.769 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.68 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.38 -43.06 99.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.359 0.599 . . . . 0.0 110.178 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -61.93 -44.98 95.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.592 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 17' ' ' ASN . 44.6 t-20 -61.1 -43.94 98.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.896 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -59.02 -46.18 88.85 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 123.574 0.546 . . . . 0.0 110.871 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.89 99.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.05 -44.09 93.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.8 t -61.55 -42.17 98.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.434 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -126.95 90.82 3.22 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.944 0.402 . . . . 0.0 110.541 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.7 -23.42 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 122.024 0.916 . . . . 0.0 109.896 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.21 -38.16 96.05 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 71.4 mmtt -63.22 -39.71 95.4 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 117.329 0.565 . . . . 0.0 109.997 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.68 -46.35 96.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.046 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -62.2 -44.21 97.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.481 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -57.19 -46.53 82.76 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.38 0.425 . . . . 0.0 111.574 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 6.2 m95 -67.12 -38.77 86.18 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 119.246 -0.982 . . . . 0.0 110.941 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.9 mt -62.93 -42.24 99.74 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.67 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.45 -44.02 95.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.878 0.371 . . . . 0.0 110.012 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -62.42 -38.27 89.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.36 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.47 28.12 13.58 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.69 170.34 15.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.022 0.439 . . . . 0.0 110.967 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.406 ' HG1' ' CB ' ' A' ' 38' ' ' GLN . 10.9 p -88.21 149.27 23.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -58.85 -41.97 88.23 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -63.66 -50.41 69.39 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.197 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.494 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 56.6 tt0 -58.84 -40.1 83.23 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.999 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.71 -44.25 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.172 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -67.15 -33.75 76.09 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 117.504 -1.678 . . . . 0.0 109.145 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.1 -49.7 75.06 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 124.564 1.165 . . . . 0.0 109.537 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 27.0 m0 -60.55 -43.17 97.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.221 0.534 . . . . 0.0 109.855 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG22 HD13 ' A' ' 43' ' ' ILE . 94.3 mt -62.32 -46.15 97.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.254 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -35.83 77.3 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 121.721 -0.612 . . . . 0.0 111.016 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -63.11 -42.23 99.53 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 118.139 0.427 . . . . 0.0 109.912 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.02 96.27 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-O 120.897 0.379 . . . . 0.0 110.147 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' ARG . 3.5 tt -60.18 -44.62 94.93 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.574 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.92 -41.75 99.82 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.324 -1.111 . . . . 0.0 110.324 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -63.0 -40.81 98.89 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.839 0.352 . . . . 0.0 110.339 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' LEU . 56.8 ttp180 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.054 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.455 ' O1 ' ' C ' ' A' ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.57 91.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.075 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.424 ' N ' ' O1 ' ' A' ' 1' ' ' FME . . . -61.32 -44.53 97.95 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 tp -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.48 -44.4 96.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.205 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -60.33 -44.07 95.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.147 0.498 . . . . 0.0 110.466 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.77 -45.96 92.32 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.196 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.22 -42.32 99.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.986 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -45.01 95.49 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.84 0.353 . . . . 0.0 110.589 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -61.23 -40.33 93.61 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.651 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -72.09 -40.77 67.99 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.248 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.34 166.53 39.32 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -88.15 -31.98 18.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.824 0.345 . . . . 0.0 110.418 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.76 95.83 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.319 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 mt -59.74 -44.06 93.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.035 0.445 . . . . 0.0 110.367 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.26 -46.09 91.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -61.8 -42.21 98.73 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.998 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -60.46 -45.29 94.24 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.075 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.29 97.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.247 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -64.61 -44.18 91.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.077 0.465 . . . . 0.0 110.689 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 p -61.92 -41.49 97.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.99 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -127.48 89.02 2.88 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.183 0.516 . . . . 0.0 110.939 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.12 -25.15 35.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.861 0.839 . . . . 0.0 109.418 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.28 98.94 Favored Glycine 0 C--O 1.22 -0.755 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 69.1 mmtt -62.03 -39.94 94.04 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 122.343 -0.504 . . . . 0.0 110.058 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.45 -46.81 95.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.993 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -62.1 -43.29 99.16 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.486 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.68 -46.26 89.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.515 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.7 m95 -65.16 -40.11 93.86 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.206 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.3 mt -62.1 -43.84 97.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.718 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.57 -41.38 98.89 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.601 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 76.6 p -65.71 -23.53 66.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.932 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.96 25.18 56.46 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.721 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.57 169.6 13.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 0.0 110.75 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 p -91.17 151.28 21.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.049 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -59.77 -41.87 92.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.644 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.74 -51.09 66.47 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.901 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.598 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.7 tt0 -57.69 -41.11 80.99 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.959 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -64.51 -44.69 96.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.264 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -67.49 -32.98 74.17 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 117.368 -1.733 . . . . 0.0 109.158 178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.39 -49.93 74.63 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 124.436 1.085 . . . . 0.0 109.601 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 35.3 m0 -59.42 -43.61 93.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.318 0.58 . . . . 0.0 109.603 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.427 HG23 HD12 ' A' ' 43' ' ' ILE . 95.7 mt -63.73 -45.81 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.847 -178.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -36.0 80.62 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.177 -178.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.56 -44.32 96.63 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.035 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.94 99.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.505 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.01 -45.19 87.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.098 -179.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.38 98.76 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -64.28 -41.6 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.734 0.302 . . . . 0.0 110.531 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.083 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.57 99.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.6 -43.03 99.82 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 4' ' ' LEU . 1.7 tm? -61.61 -42.31 98.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.38 -44.07 95.78 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.776 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -43.9 94.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.095 0.474 . . . . 0.0 110.063 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.668 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 56.8 t80 -60.55 -46.5 89.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.121 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.0 mt -61.4 -42.02 98.07 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.041 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.52 -45.02 94.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.749 0.309 . . . . 0.0 111.566 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 t -60.75 -39.41 88.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.18 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.668 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 40.1 mmtm -72.26 -42.68 65.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.492 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.62 164.51 37.99 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -88.65 -32.99 17.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.36 82.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.163 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.71 -40.35 94.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -60.76 -46.72 89.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.558 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.93 -42.31 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.019 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -58.66 -47.29 84.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.74 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.44 98.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.655 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -63.81 -44.51 93.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.9 t -62.25 -42.24 99.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.716 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -120.37 87.18 2.7 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.918 0.389 . . . . 0.0 110.055 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.57 -23.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.927 0.87 . . . . 0.0 109.789 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.48 -40.74 99.48 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 69.9 mmtt -61.09 -40.45 93.78 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.94 -47.17 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.946 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -61.74 -43.03 99.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.308 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -58.5 -46.65 86.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.99 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.413 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.1 m95 -66.29 -38.62 88.19 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 119.105 -1.038 . . . . 0.0 110.721 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.59 -43.12 99.46 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.275 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -63.29 -44.01 96.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.056 0.455 . . . . 0.0 110.116 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.0 m -63.88 -37.11 86.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.16 15.5 44.47 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.4 155.6 34.92 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.81 0.338 . . . . 0.0 110.139 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.6 p -84.58 161.58 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.723 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -59.56 -40.11 86.23 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.817 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.79 -47.71 79.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.284 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 52.3 tt0 -61.46 -39.71 91.85 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.764 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.78 -45.17 97.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 123.621 0.576 . . . . 0.0 111.112 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -67.69 -34.69 77.4 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 117.566 -1.654 . . . . 0.0 110.178 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -57.22 -48.79 77.93 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 124.901 1.375 . . . . 0.0 109.646 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.475 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 21.8 m0 -61.93 -43.01 99.72 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 123.787 0.679 . . . . 0.0 110.378 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.413 HD11 HG23 ' A' ' 43' ' ' ILE . 88.4 mt -62.66 -45.81 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.378 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -36.24 78.55 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.93 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -63.33 -42.63 98.99 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 118.098 0.408 . . . . 0.0 110.328 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 50' ' ' ARG . . . -65.13 -41.59 94.69 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 110.117 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.82 -45.11 93.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.125 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.26 -43.79 97.97 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' ARG . 59.3 t-105 -78.77 -59.62 2.71 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.697 0.284 . . . . 0.0 110.625 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 46' ' ' ALA . 76.2 ttt180 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.022 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.52 92.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.764 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.54 -43.66 99.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -59.76 -45.43 92.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.36 -43.7 98.21 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.691 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.433 ' HG3' ' N ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -61.6 -42.91 99.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.862 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.433 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 70.9 t80 -62.56 -44.86 95.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.969 0.414 . . . . 0.0 110.449 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.1 mt -61.94 -42.71 99.42 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.853 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.27 -44.76 94.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.722 0.296 . . . . 0.0 110.775 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 m -60.2 -40.08 88.83 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.905 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -71.87 -42.69 66.56 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.802 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.47 167.61 40.04 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -90.41 -31.02 17.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.982 0.42 . . . . 0.0 110.936 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.69 98.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.345 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.1 mt -59.61 -44.21 93.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.399 0.618 . . . . 0.0 110.741 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -61.01 -45.24 95.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.59 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.0 -42.88 99.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.459 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.43 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 10.2 t-105 -59.4 -45.6 91.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.87 98.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.23 -44.82 90.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.19 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -61.25 -42.96 99.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.29 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -124.11 89.12 3.03 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.937 0.398 . . . . 0.0 110.666 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.32 -23.62 32.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 122.133 0.968 . . . . 0.0 109.887 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.58 -39.55 98.01 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.1 mmtt -62.52 -38.8 91.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.285 -0.538 . . . . 0.0 109.783 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.31 -46.52 96.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.713 0.768 . . . . 0.0 109.928 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -62.28 -42.76 99.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.477 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -59.13 -44.97 92.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.041 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.5 m95 -66.4 -39.15 88.84 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.93 -43.57 98.57 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.486 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -62.46 -43.95 97.58 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.6 p -69.26 -29.42 67.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.55 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.57 19.59 56.24 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.62 151.71 44.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.607 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 p -80.19 161.42 25.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.568 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 36' ' ' TYR . 2.1 m-85 -60.51 -41.9 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.416 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.99 -49.71 76.35 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.375 0.422 . . . . 0.0 111.455 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.512 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 52.8 tt0 -62.0 -38.59 89.16 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.135 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.0 -44.54 97.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 O-C-N 123.508 0.505 . . . . 0.0 110.95 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -66.79 -36.33 82.15 Favored 'General case' 0 C--O 1.204 -1.298 0 C-N-CA 118.062 -1.455 . . . . 0.0 109.581 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -56.82 -49.97 73.79 Favored 'General case' 0 C--N 1.344 0.34 0 O-C-N 125.149 1.53 . . . . 0.0 109.627 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 23.7 m0 -61.33 -43.74 98.37 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.031 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.409 HD12 HG21 ' A' ' 43' ' ' ILE . 92.1 mt -63.6 -45.83 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.201 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' OE1' ' C ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -65.6 -37.12 85.73 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.004 -178.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.92 -43.37 98.98 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.568 0.622 . . . . 0.0 110.444 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -64.07 -42.42 96.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.903 0.382 . . . . 0.0 110.155 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -44.17 91.6 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.08 -179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.17 -42.47 94.33 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.441 ' O ' ' O ' ' A' ' 46' ' ' ALA . 44.7 p-90 -144.9 156.91 44.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.244 179.718 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.78 96.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.913 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.81 -41.29 99.61 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.3 -44.69 95.19 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.36 -43.83 96.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.929 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -60.52 -43.75 96.78 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.361 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.698 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 73.3 t80 -59.93 -46.19 90.19 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.43 0.456 . . . . 0.0 110.373 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.58 -41.81 99.17 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.614 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.08 -43.81 97.49 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.291 0.369 . . . . 0.0 111.131 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 t -61.28 -39.43 90.37 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.093 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.698 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 41.1 mmtm -71.99 -43.45 65.1 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.325 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.5 155.09 25.78 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -76.56 -33.59 58.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.972 0.891 . . . . 0.0 109.674 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.39 97.39 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.428 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -61.78 -41.94 98.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.367 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.86 -45.21 94.79 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.7 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -61.18 -43.38 98.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.976 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 49.9 t-105 -60.78 -44.57 96.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.751 0.31 . . . . 0.0 111.025 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.86 98.45 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.802 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.6 -43.63 93.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.8 t -62.55 -42.15 99.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.973 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -125.47 86.48 2.55 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.456 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.21 -23.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 122.22 1.009 . . . . 0.0 109.364 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.1 -40.47 98.14 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 23.7 mmtp -61.4 -41.17 96.7 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 122.004 -0.704 . . . . 0.0 110.25 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.42 -46.87 94.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.138 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.43 -43.99 97.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.557 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.44 -45.84 90.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.938 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 15.8 m95 -65.93 -39.37 90.46 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.574 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -63.35 -43.37 97.88 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.123 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.12 -43.46 98.37 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.442 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.3 t -61.93 -41.88 98.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.383 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.85 11.28 23.08 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 151.56 45.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 p -85.31 161.17 19.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.908 0.385 . . . . 0.0 110.786 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -61.47 -40.02 93.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.559 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.47 -51.44 65.59 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 53.4 tt0 -58.72 -39.35 80.57 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.427 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.7 mt -66.27 -43.1 91.82 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.703 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -66.6 -34.79 78.67 Favored 'General case' 0 CA--C 1.492 -1.287 0 C-N-CA 117.379 -1.728 . . . . 0.0 108.792 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.82 -49.64 75.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 124.809 1.318 . . . . 0.0 109.497 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 26.5 m0 -60.9 -43.38 98.61 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.994 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.436 HG22 HD13 ' A' ' 43' ' ' ILE . 93.7 mt -62.5 -45.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.298 -178.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -36.44 78.62 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.679 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -62.79 -42.6 99.78 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.228 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -62.93 -41.95 99.65 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.836 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.86 -43.76 97.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.545 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.48 -42.04 99.73 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.48 ' O ' ' O ' ' A' ' 46' ' ' ALA . 98.6 m95 -125.4 118.59 26.2 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.681 0.276 . . . . 0.0 110.454 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.632 179.859 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.04 99.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.928 0.394 . . . . 0.0 110.463 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.94 -39.21 97.09 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.51 -45.14 94.91 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.087 0.47 . . . . 0.0 109.94 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.98 -42.55 97.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.816 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.55 -44.13 96.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.348 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.93 -45.15 95.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.192 0.52 . . . . 0.0 110.607 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.6 mt -62.54 -40.8 97.97 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.441 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.81 -45.29 90.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.992 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -59.34 -39.94 84.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -71.41 -43.01 67.58 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.54 166.35 39.61 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -88.06 -31.13 19.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.239 0.543 . . . . 0.0 110.221 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.87 98.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.613 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.83 -43.07 98.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.193 0.52 . . . . 0.0 110.122 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -62.15 -45.53 93.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.685 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.08 -42.55 98.71 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.506 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -61.17 -45.02 96.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.458 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.03 98.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.592 0.558 . . . . 0.0 110.308 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -63.23 -45.06 93.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.266 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.0 m -61.77 -41.53 97.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.931 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -125.15 86.21 2.52 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.189 0.519 . . . . 0.0 110.79 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -65.82 -24.79 34.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.649 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.12 -39.63 97.89 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.4 mmtt -62.3 -39.85 94.37 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.1 t -62.08 -45.91 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.195 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -62.43 -43.57 98.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.181 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.77 -45.61 89.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.609 0.568 . . . . 0.0 111.179 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 9.8 m95 -67.0 -38.31 85.78 Favored 'General case' 0 C--O 1.227 -0.091 0 C-N-CA 118.78 -1.168 . . . . 0.0 110.733 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -61.54 -43.24 99.22 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.299 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.12 -43.48 98.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.022 0.439 . . . . 0.0 109.842 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 40.2 t -63.22 -43.33 98.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.734 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 97.33 5.57 57.98 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -48.18 176.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 0.0 110.434 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.8 p -97.59 156.13 16.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.541 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.77 -42.69 93.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -61.22 -51.71 67.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.477 0.656 . . . . 0.0 110.791 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.514 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.9 tt0 -58.56 -40.54 83.35 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.966 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.79 -44.79 98.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 O-C-N 123.181 0.301 . . . . 0.0 111.227 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -67.31 -34.16 76.78 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 117.724 -1.59 . . . . 0.0 109.834 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.62 -48.81 78.4 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 124.558 1.161 . . . . 0.0 109.393 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.514 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 20.1 m0 -60.97 -43.22 99.1 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.659 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.455 HG21 HD13 ' A' ' 43' ' ' ILE . 87.7 mt -62.21 -46.71 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.496 -178.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -36.05 77.8 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 119.762 -0.775 . . . . 0.0 111.185 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.545 ' OD1' ' NE1' ' A' ' 49' ' ' TRP . 24.2 t-20 -63.1 -41.95 99.48 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.123 178.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -65.08 -41.32 95.15 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.114 0.483 . . . . 0.0 110.238 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.05 -45.19 93.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.322 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.31 -42.72 98.92 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.545 ' NE1' ' OD1' ' A' ' 45' ' ' ASN . 31.1 p90 -153.14 160.56 42.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.921 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 117.872 -1.061 . . . . 0.0 109.952 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.75 95.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.219 0.533 . . . . 0.0 110.337 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.97 99.71 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.43 -44.58 96.88 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.43 -43.56 98.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.188 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -60.17 -45.48 92.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.153 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.09 -45.57 90.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.295 0.569 . . . . 0.0 110.917 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.88 -42.31 99.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.749 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -43.25 99.27 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.969 0.793 . . . . 0.0 109.813 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.6 t -63.02 -40.22 97.11 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.94 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -72.39 -41.57 66.17 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.656 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.87 153.57 19.98 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.358 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -74.93 -34.24 62.08 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.68 92.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.935 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.99 -42.71 98.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.547 0.689 . . . . 0.0 110.266 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -61.9 -46.29 90.03 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.584 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -60.54 -42.84 97.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.876 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -59.77 -45.94 90.72 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.37 0.419 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.76 99.56 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.237 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.59 -44.97 94.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.633 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -61.05 -42.1 97.84 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.018 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -128.61 90.99 3.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.728 0.299 . . . . 0.0 110.788 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.45 -23.41 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.848 0.832 . . . . 0.0 109.473 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.78 99.78 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.3 mmtt -61.05 -39.69 90.78 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.42 -47.34 93.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.66 0.743 . . . . 0.0 110.782 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -62.51 -43.48 98.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.334 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -58.54 -45.96 87.83 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 123.617 0.573 . . . . 0.0 111.119 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.5 m95 -66.39 -39.05 88.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.985 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.3 mt -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.366 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -61.97 -43.05 99.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.033 0.444 . . . . 0.0 110.122 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.3 m -60.49 -39.41 87.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.764 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.69 14.47 49.83 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.09 -167.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.939 0.399 . . . . 0.0 110.479 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.9 p -112.89 148.79 34.2 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -58.64 -42.94 89.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.468 0.48 . . . . 0.0 110.655 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -62.06 -51.16 69.09 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.429 0.633 . . . . 0.0 110.67 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -57.95 -41.27 82.48 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.989 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.44 -44.41 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.341 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -67.29 -33.39 75.2 Favored 'General case' 0 C--O 1.211 -0.959 0 C-N-CA 117.326 -1.749 . . . . 0.0 108.942 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -57.66 -48.76 78.61 Favored 'General case' 0 CA--C 1.513 -0.476 0 O-C-N 124.233 0.958 . . . . 0.0 109.859 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -60.27 -43.18 96.4 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.825 0.703 . . . . 0.0 109.572 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.418 HD13 HG23 ' A' ' 43' ' ' ILE . 96.5 mt -63.69 -46.33 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.338 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -35.99 80.56 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.381 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.512 ' OD1' ' NE1' ' A' ' 49' ' ' TRP . 33.6 t30 -62.19 -42.99 99.8 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.143 0.429 . . . . 0.0 110.269 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -65.53 -41.85 92.61 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.289 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -44.98 92.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.95 -179.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.95 -43.22 99.48 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.512 ' NE1' ' OD1' ' A' ' 45' ' ' ASN . 62.6 p-90 -153.41 158.5 41.53 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.737 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.501 179.574 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.84 83.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.992 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.95 99.67 Favored Glycine 0 C--O 1.227 -0.316 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -59.82 -45.94 90.8 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.056 -0.572 . . . . 0.0 109.823 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.4 -43.54 97.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -59.16 -44.61 92.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.466 . . . . 0.0 110.337 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.03 -45.92 92.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.2 mt -61.72 -41.12 97.2 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.201 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.93 -46.2 88.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.9 m -59.47 -39.13 82.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.361 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -71.41 -44.28 65.19 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.968 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.16 159.05 32.3 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -80.76 -33.19 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.361 0.6 . . . . 0.0 109.784 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.28 96.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.128 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.5 mt -61.38 -43.25 99.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.252 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.67 -45.31 94.63 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.266 0.555 . . . . 0.0 110.547 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -61.34 -43.78 98.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.079 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -59.51 -45.62 91.18 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.564 0.54 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -63.69 -44.31 94.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.687 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.8 m -60.97 -42.46 98.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.609 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -124.33 89.68 3.12 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 110.671 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.81 -25.28 32.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.787 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.4 -39.28 97.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -63.22 -39.75 95.53 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.287 -0.537 . . . . 0.0 109.933 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.17 -46.83 95.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.761 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -61.42 -44.3 97.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.448 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -58.02 -45.68 86.52 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.443 0.464 . . . . 0.0 110.953 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -66.93 -39.59 87.37 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.787 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.09 -43.44 98.89 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.276 -0.569 . . . . 0.0 109.76 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.94 -44.97 95.66 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.14 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -63.14 -35.28 79.76 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.825 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.99 8.45 66.98 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.52 177.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.998 0.428 . . . . 0.0 110.569 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 p -99.74 157.09 16.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.958 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.78 -40.29 92.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.943 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -61.79 -51.81 66.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.963 0.887 . . . . 0.0 110.796 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.63 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 32.1 tt0 -58.9 -41.26 86.77 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.13 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.08 -43.9 99.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.257 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -67.98 -34.76 77.15 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 117.811 -1.555 . . . . 0.0 110.159 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.67 -48.66 78.88 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 125.229 1.581 . . . . 0.0 108.788 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.63 ' CH2' ' NE2' ' A' ' 38' ' ' GLN . 31.0 m0 -60.81 -43.85 97.64 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.132 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 43' ' ' ILE . 90.1 mt -62.26 -47.06 94.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.323 -178.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -35.45 79.15 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.94 -178.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.419 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 50.1 t-20 -63.71 -42.75 97.9 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.465 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.85 97.47 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.234 0.54 . . . . 0.0 110.171 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 tt -59.77 -45.49 92.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.967 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.07 -41.96 99.68 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -160.04 126.45 4.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.693 0.282 . . . . 0.0 110.496 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.475 -179.718 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.22 98.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.698 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.06 99.64 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.2 -45.21 93.95 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.396 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.87 -43.46 96.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.141 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -59.21 -44.92 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.941 0.401 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -59.62 -46.04 90.15 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.536 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 mt -63.14 -41.52 99.3 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.239 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.04 -43.42 98.72 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.292 0.37 . . . . 0.0 110.682 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -62.81 -39.57 94.68 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.784 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' CD ' ' HZ2' ' A' ' 40' ' ' LYS . 65.8 mmtt -71.61 -42.37 67.77 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.901 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.43 164.09 37.39 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -87.65 -32.13 19.41 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.303 0.573 . . . . 0.0 110.236 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.66 99.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.323 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.8 mt -61.52 -42.18 98.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.216 0.531 . . . . 0.0 110.31 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -62.46 -45.1 94.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.361 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -60.43 -43.63 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.829 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -59.94 -46.35 89.67 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.595 0.559 . . . . 0.0 111.119 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.38 98.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.924 0.392 . . . . 0.0 110.908 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.32 -44.8 90.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.774 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -60.9 -42.12 97.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.325 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -128.88 87.35 2.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.136 0.493 . . . . 0.0 111.152 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.05 -23.84 34.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 122.597 1.189 . . . . 0.0 109.576 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.58 -39.77 97.96 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.7 mmtt -61.37 -40.56 94.76 Favored 'General case' 0 C--O 1.249 1.053 0 O-C-N 122.31 -0.524 . . . . 0.0 110.184 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.97 -46.21 97.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 O-C-N 124.137 0.898 . . . . 0.0 110.331 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -62.39 -43.65 98.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.448 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.14 -45.31 91.3 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.348 0.405 . . . . 0.0 111.382 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.7 m95 -66.58 -39.02 88.25 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.796 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 94.6 mt -62.43 -42.13 99.22 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.59 -179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.9 -43.27 99.25 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -61.38 -42.22 98.37 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.172 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 102.74 1.01 49.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -46.58 177.18 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.779 0.324 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 p -99.92 150.58 22.26 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.043 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -58.57 -40.85 84.26 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.403 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.5 -50.81 68.16 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.324 0.583 . . . . 0.0 110.94 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.59 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.5 tt0 -58.62 -40.78 84.27 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 121.61 -0.681 . . . . 0.0 111.128 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.38 -43.58 97.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.409 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.421 ' HZ2' ' CD ' ' A' ' 11' ' ' LYS . 46.8 pttt -68.51 -33.56 74.34 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 117.585 -1.646 . . . . 0.0 109.638 178.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -56.67 -49.29 75.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 124.638 1.212 . . . . 0.0 109.206 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 33.3 m0 -59.89 -45.08 93.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.404 0.621 . . . . 0.0 109.829 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 43' ' ' ILE . 96.9 mt -62.99 -45.55 98.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.369 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -35.88 80.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.618 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -63.03 -42.22 99.72 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.072 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.34 95.52 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -45.37 89.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.743 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.43 98.2 Favored Glycine 0 C--N 1.337 0.614 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.691 ' CD2' ' N ' ' A' ' 50' ' ' ARG . 57.7 p-90 -169.23 -62.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.754 -0.778 . . . . 0.0 112.668 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.691 ' N ' ' CD2' ' A' ' 49' ' ' TRP . 60.8 ttt85 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.581 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.4 99.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.807 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.49 99.83 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.38 -44.24 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.19 -43.78 98.07 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.332 0.395 . . . . 0.0 110.456 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -59.67 -45.21 92.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -60.36 -46.8 88.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.442 0.639 . . . . 0.0 110.595 -179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.6 -42.76 97.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.505 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.35 -44.68 90.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.412 . . . . 0.0 111.655 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.9 m -60.58 -39.32 87.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.148 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -72.01 -43.25 65.34 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.181 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.27 149.89 14.38 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -74.13 -33.83 63.67 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 122.221 1.01 . . . . 0.0 108.969 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.49 98.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.482 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.34 -44.39 95.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.401 0.619 . . . . 0.0 110.459 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.27 -44.94 96.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.138 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -62.09 -43.71 98.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.6 t-105 -59.19 -44.82 92.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.592 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.08 99.52 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.564 0.54 . . . . 0.0 110.381 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.28 -43.7 97.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.894 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 t -63.69 -42.72 97.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.25 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -129.87 86.26 2.39 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 110.774 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.41 -25.05 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.065 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.49 -48.04 87.92 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.041 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 22.7 mmtp -62.46 -36.7 83.29 Favored 'General case' 0 C--O 1.257 1.499 0 CA-C-O 121.757 0.789 . . . . 0.0 110.653 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.6 -44.6 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.332 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 55.0 m95 -58.64 -42.08 87.5 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.271 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -52.27 -52.71 51.15 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.595 1.185 . . . . 0.0 111.156 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.2 m-90 -71.83 -33.86 68.82 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 118.271 -1.372 . . . . 0.0 112.398 -177.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.62 -42.53 99.02 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.996 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.5 -42.89 91.6 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.45 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.0 p -68.64 -32.6 72.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.657 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.51 30.93 14.41 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.43 155.95 38.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.258 0.551 . . . . 0.0 110.656 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.2 p -65.3 140.41 58.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.494 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -58.13 -39.59 79.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.993 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.86 -48.08 80.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.877 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.544 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.0 tt0 -60.61 -39.19 87.27 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.147 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.9 -47.75 91.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 O-C-N 123.83 0.707 . . . . 0.0 111.154 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -66.6 -34.38 77.75 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 117.375 -1.73 . . . . 0.0 109.689 178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -57.3 -49.7 75.27 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.28 0.988 . . . . 0.0 109.921 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.544 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 20.9 m0 -62.78 -40.67 98.04 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.116 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.24 -45.36 98.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.444 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -36.85 81.65 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.021 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.98 -42.77 99.51 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.248 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -63.89 -42.54 97.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.967 179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.27 -44.69 92.42 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.083 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.02 -41.84 99.59 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.481 ' O ' ' O ' ' A' ' 46' ' ' ALA . 96.6 m95 -92.15 165.96 12.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.571 0.224 . . . . 0.0 110.648 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' TRP . 43.2 ttm180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.577 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.69 95.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.279 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.86 -41.34 99.89 Favored Glycine 0 CA--C 1.518 0.219 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' CD1' ' C ' ' A' ' 4' ' ' LEU . 2.3 tm? -62.08 -42.41 99.18 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.852 0.358 . . . . 0.0 110.686 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.65 -43.85 95.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.504 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.68 -43.73 97.35 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.574 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.92 -46.25 89.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.129 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.08 -42.61 99.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.693 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.77 -43.5 98.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.443 0.464 . . . . 0.0 110.679 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 t -61.55 -40.12 93.55 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.413 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -71.95 -42.38 66.66 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.736 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.22 164.51 38.06 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -91.34 -32.7 15.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.941 0.401 . . . . 0.0 111.241 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.62 96.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.277 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.19 -42.11 98.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 110.391 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.63 -45.76 92.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.153 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -61.31 -43.24 99.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.921 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -58.83 -46.83 86.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.706 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.02 -42.69 99.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.875 0.369 . . . . 0.0 110.47 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.53 -44.48 96.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.742 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -62.92 -42.45 99.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.45 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -124.09 86.27 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.753 0.311 . . . . 0.0 110.679 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -65.95 -25.79 36.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 122.276 1.036 . . . . 0.0 109.919 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.52 -40.41 97.73 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 29.5 mmtp -63.28 -39.27 94.1 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 121.765 -0.844 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -61.93 -45.63 98.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.012 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -62.32 -43.51 98.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.28 -45.43 91.26 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.464 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.9 m95 -66.44 -39.6 88.97 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.766 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.92 -42.57 99.84 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.223 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -61.29 -43.29 99.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -60.23 -44.13 95.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.11 15.35 30.92 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.76 -176.88 0.13 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.441 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 p -102.78 153.43 20.17 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.34 -43.27 92.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.481 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.51 -50.41 72.81 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 121.637 0.732 . . . . 0.0 111.023 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 56.1 tt0 -59.42 -40.81 87.9 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.396 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.16 -43.96 97.47 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.935 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -67.85 -33.87 75.61 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 117.795 -1.562 . . . . 0.0 109.745 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -57.04 -49.7 75.0 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 124.886 1.366 . . . . 0.0 108.748 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.433 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 24.0 m0 -59.62 -43.7 93.7 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.866 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.408 HD13 HG23 ' A' ' 43' ' ' ILE . 96.2 mt -62.75 -46.97 95.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.793 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.48 78.27 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.005 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.33 -42.83 98.99 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 121.325 0.583 . . . . 0.0 110.044 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.95 97.07 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.221 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 tt -59.43 -45.24 92.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.434 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.63 -41.53 99.8 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -66.05 -41.2 91.17 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.017 0.436 . . . . 0.0 110.149 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.789 -1.101 . . . . 0.0 110.55 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.588 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.588 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -62.93 -41.1 99.37 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.399 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.08 -39.76 98.4 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -60.18 -46.18 90.57 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 124.148 0.557 . . . . 0.0 109.592 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.37 -43.64 97.05 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.612 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.9 -44.5 94.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.827 0.346 . . . . 0.0 110.489 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.4 mt -63.44 -42.22 98.68 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.361 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.0 -43.74 97.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.305 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.9 m -59.82 -40.08 87.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.779 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -71.95 -42.4 66.64 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.936 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.23 165.83 38.44 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -91.5 -31.72 15.85 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.268 0.556 . . . . 0.0 110.203 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.41 98.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.22 -42.66 98.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.234 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -61.17 -46.17 91.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.245 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.07 -43.44 98.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.418 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -59.1 -46.77 87.45 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.743 0.652 . . . . 0.0 110.366 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.65 97.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.677 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.36 -44.58 94.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.8 m -60.95 -41.94 97.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.297 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -127.64 91.07 3.22 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.863 0.363 . . . . 0.0 110.623 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 m -68.84 -24.18 28.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.884 0.85 . . . . 0.0 109.345 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.95 99.71 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 39.8 mmtm -61.51 -39.73 92.06 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 122.512 -0.405 . . . . 0.0 109.976 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.8 -46.9 95.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.914 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -62.72 -43.19 99.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.162 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -57.44 -47.53 81.56 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.802 0.689 . . . . 0.0 111.436 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 14.1 m95 -66.81 -38.62 86.82 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.005 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.18 -41.94 99.28 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.474 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.39 -42.7 98.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.922 0.391 . . . . 0.0 110.436 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -66.95 -21.57 65.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.632 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.9 19.07 63.94 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.65 157.07 28.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.401 . . . . 0.0 110.974 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.3 p -82.75 149.77 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.757 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -59.97 -41.36 91.8 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.735 0.647 . . . . 0.0 110.935 -179.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -64.21 -50.28 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.886 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 53.2 tt0 -58.85 -41.05 86.06 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.166 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.62 -44.14 98.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 O-C-N 123.402 0.439 . . . . 0.0 111.565 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -68.43 -33.74 74.75 Favored 'General case' 0 CA--C 1.499 -1.005 0 C-N-CA 117.41 -1.716 . . . . 0.0 109.452 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -56.99 -49.93 74.26 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 124.799 1.312 . . . . 0.0 109.137 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 24.0 m0 -59.71 -43.88 93.95 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.957 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.28 -45.8 97.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.525 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -36.32 79.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.576 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' OD1' ' NE1' ' A' ' 49' ' ' TRP . 51.7 t30 -63.3 -43.34 98.11 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -63.99 -42.66 97.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.16 0.505 . . . . 0.0 110.27 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.04 -44.73 94.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.276 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.49 99.53 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.539 ' NE1' ' OD1' ' A' ' 45' ' ' ASN . 55.8 p-90 -153.37 160.85 42.74 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.217 -0.64 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.705 178.89 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.451 ' O1 ' ' C ' ' A' ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.99 98.27 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.768 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.28 -42.95 98.96 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -59.49 -46.16 89.62 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.796 0.331 . . . . 0.0 110.314 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.55 -43.77 97.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.381 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -59.27 -45.28 91.66 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.078 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -59.89 -45.59 92.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.528 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.83 -42.2 99.63 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.223 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.62 -44.2 96.9 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.402 0.439 . . . . 0.0 110.711 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -61.07 -40.44 93.68 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.646 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -71.36 -42.8 68.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.225 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.87 161.93 35.72 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -84.44 -32.67 23.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.213 0.53 . . . . 0.0 110.575 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.14 96.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.383 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.37 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 110.593 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -61.38 -45.02 96.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.593 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.64 -43.21 99.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.225 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -59.77 -45.76 91.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.5 97.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.61 -44.32 90.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.067 0.461 . . . . 0.0 110.443 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -61.38 -42.03 98.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.531 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -128.62 89.32 2.87 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.005 0.431 . . . . 0.0 110.81 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.95 -25.7 36.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.704 0.764 . . . . 0.0 109.319 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.2 -41.84 99.72 Favored Glycine 0 C--O 1.219 -0.825 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.4 mmtt -59.94 -41.53 92.02 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 122.334 -0.51 . . . . 0.0 110.079 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.06 -46.32 96.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 123.912 0.757 . . . . 0.0 110.269 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -62.72 -43.68 98.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.758 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -58.51 -46.4 86.81 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.719 0.637 . . . . 0.0 110.814 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.47 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.5 m95 -66.05 -39.53 90.19 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -61.81 -42.79 99.46 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.465 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.3 -42.57 99.47 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 t -61.91 -42.41 99.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.192 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.57 8.13 52.72 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.31 -178.2 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.309 . . . . 0.0 110.399 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.6 p -102.24 149.35 24.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.014 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -58.73 -43.26 90.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.639 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 38' ' ' GLN . 7.1 pt-20 -62.03 -49.17 77.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.31 0.576 . . . . 0.0 111.16 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.571 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 33.0 tt0 -59.07 -41.67 88.53 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.924 -0.485 . . . . 0.0 111.266 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.27 -44.19 97.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 123.56 0.538 . . . . 0.0 110.943 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -68.19 -34.02 75.51 Favored 'General case' 0 C--O 1.209 -1.054 0 C-N-CA 117.396 -1.722 . . . . 0.0 110.029 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -56.92 -48.79 77.43 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.795 1.309 . . . . 0.0 108.962 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.571 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 29.8 m0 -59.83 -44.77 93.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.514 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.28 -45.69 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.165 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -36.28 81.57 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.845 -178.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.577 ' OD1' ' CE2' ' A' ' 49' ' ' TRP . 43.9 t-20 -63.05 -42.29 99.7 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.301 177.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.15 -42.1 94.11 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.031 0.443 . . . . 0.0 110.227 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -44.69 87.83 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.186 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.86 99.13 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.577 ' CE2' ' OD1' ' A' ' 45' ' ' ASN . 29.2 p90 -153.14 155.78 37.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.832 0.348 . . . . 0.0 110.697 179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.522 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.05 95.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.803 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.61 -41.98 99.68 Favored Glycine 0 N--CA 1.464 0.535 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.31 -45.32 93.79 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.62 -43.27 97.34 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.832 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -43.98 93.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.939 0.4 . . . . 0.0 110.386 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -61.0 -45.58 94.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.708 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.99 -41.38 97.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.416 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.7 tp -64.19 -45.19 89.44 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.483 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -59.82 -39.65 85.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.037 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -72.36 -43.52 63.89 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.783 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.92 150.04 15.71 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.558 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.38 -34.41 61.11 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 121.64 0.733 . . . . 0.0 109.205 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.45 97.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.845 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.47 -43.65 98.49 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.394 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -61.97 -44.68 96.24 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.204 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.05 -43.67 98.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.264 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -60.08 -44.97 94.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.551 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.94 99.48 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.43 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -63.13 -44.19 96.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.816 0.341 . . . . 0.0 110.959 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.8 m -60.7 -43.17 98.1 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.756 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -130.11 88.04 2.6 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.5 m -69.58 -27.69 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.542 0.687 . . . . 0.0 109.88 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.25 -46.72 93.89 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.615 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 66.6 mmtt -61.09 -35.75 77.84 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 121.488 -1.007 . . . . 0.0 110.908 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.08 -44.69 91.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-O 121.701 0.762 . . . . 0.0 109.65 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.91 -41.82 96.85 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.07 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -52.69 -51.78 58.8 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.949 1.406 . . . . 0.0 110.675 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.615 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.8 m-90 -72.9 -33.06 65.78 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 117.474 -1.691 . . . . 0.0 111.926 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.2 -43.89 92.25 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.469 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.98 -44.35 85.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.888 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -59.4 -21.71 60.34 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.76 13.95 61.94 Favored Glycine 0 N--CA 1.468 0.821 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.68 152.61 43.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.157 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -76.02 153.27 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.535 0.683 . . . . 0.0 111.136 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -60.07 -36.77 78.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.621 0.724 . . . . 0.0 109.885 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.0 -49.46 70.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.562 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.543 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.2 tt0 -59.33 -39.72 84.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.098 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 39' ' ' ILE . 89.9 mt -62.33 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 O-C-N 123.919 0.762 . . . . 0.0 111.616 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -67.71 -34.4 76.8 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 117.653 -1.619 . . . . 0.0 109.714 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -57.5 -50.62 72.46 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.68 1.237 . . . . 0.0 109.8 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.543 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 18.4 m0 -62.23 -40.58 96.61 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.281 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.411 HG23 HD13 ' A' ' 43' ' ' ILE . 84.8 mt -62.59 -46.71 95.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -36.51 80.55 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 120.066 -0.654 . . . . 0.0 111.181 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -63.89 -42.84 97.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.354 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.89 98.87 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 50' ' ' ARG . 1.7 mp -59.26 -46.01 89.67 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.267 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.25 -41.42 99.73 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -61.22 -40.3 93.47 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.93 0.395 . . . . 0.0 110.529 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 47' ' ' LEU . 40.3 ptt180 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.097 -0.954 . . . . 0.0 110.95 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.02 98.44 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.27 -40.84 99.16 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 110.185 -1.166 . . . . 0.0 110.185 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 4' ' ' LEU . 2.5 tm? -61.89 -45.11 95.16 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.118 0.485 . . . . 0.0 110.779 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.49 -43.96 97.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.117 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -59.27 -45.24 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.86 -45.79 91.36 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.887 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.35 -42.41 99.37 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.218 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.06 -44.83 94.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.598 0.561 . . . . 0.0 110.58 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -60.21 -40.19 89.25 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.992 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -72.1 -42.25 66.32 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.49 164.33 37.94 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -90.3 -31.79 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 111.149 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.4 86.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.66 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.64 -41.23 97.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.162 0.506 . . . . 0.0 109.785 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.93 -47.54 85.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.69 -42.88 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.889 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -59.82 -46.72 88.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.814 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.21 96.42 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.418 0.449 . . . . 0.0 110.333 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.63 -45.05 88.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.67 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.0 t -61.38 -43.14 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.586 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -122.98 88.93 3.02 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.945 0.403 . . . . 0.0 110.398 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.72 -24.03 32.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.343 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.17 -42.72 99.73 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 2.4 mptm? -61.63 -40.21 94.04 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.785 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.9 t -60.97 -47.0 95.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 O-C-N 123.912 0.757 . . . . 0.0 109.984 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -62.86 -42.82 99.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.005 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.24 -45.32 91.46 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.984 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.4 m95 -66.93 -38.35 86.0 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 119.134 -1.026 . . . . 0.0 110.507 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.6 mp -62.97 -42.73 99.92 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.357 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.12 -42.75 99.54 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.559 -0.457 . . . . 0.0 109.793 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 m -60.52 -39.6 88.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.94 0.4 . . . . 0.0 110.731 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.34 10.38 55.89 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.28 -178.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.2 p -102.89 153.3 20.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.048 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -59.08 -42.79 91.28 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.454 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -61.91 -52.3 64.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.852 0.834 . . . . 0.0 110.829 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.612 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 34.0 tt0 -57.51 -40.73 79.34 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.61 -45.05 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.405 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -67.45 -33.84 75.95 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.199 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -57.16 -49.15 76.87 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 124.767 1.292 . . . . 0.0 109.102 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.612 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 36.0 m0 -60.28 -44.29 95.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.466 0.651 . . . . 0.0 110.233 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 43' ' ' ILE . 95.5 mt -62.12 -46.35 96.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.368 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -36.55 78.65 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.569 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.582 ' OD1' ' CE2' ' A' ' 49' ' ' TRP . 49.2 t-20 -62.55 -41.75 99.1 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.42 0.555 . . . . 0.0 110.643 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.89 93.52 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 tt -59.78 -44.94 93.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.418 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.52 -43.71 98.54 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.582 ' CE2' ' OD1' ' A' ' 45' ' ' ASN . 26.9 p90 -154.31 160.19 41.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.323 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.221 179.533 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' FME . . . . . 0.434 ' CE ' ' HE1' ' A' ' 27' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.0 97.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.36 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.02 -42.05 99.71 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -59.72 -45.48 92.04 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.024 0.44 . . . . 0.0 109.877 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.84 -42.81 97.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.449 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -60.3 -43.89 95.89 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -60.2 -45.43 93.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.225 0.536 . . . . 0.0 111.06 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.62 -42.29 99.5 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.208 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tt -63.29 -44.2 95.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.523 0.514 . . . . 0.0 110.687 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.9 t -61.4 -40.15 93.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 120.984 -0.287 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -71.82 -41.97 67.58 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.067 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.11 160.74 34.32 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.757 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -86.76 -32.67 20.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.311 0.577 . . . . 0.0 109.716 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.36 97.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.047 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 mt -61.37 -41.94 97.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.98 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -62.04 -44.91 95.69 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.425 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -61.54 -43.28 99.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.939 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -59.05 -46.4 88.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.705 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.37 97.1 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.866 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -64.16 -43.94 93.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.174 0.512 . . . . 0.0 110.7 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.1 m -62.81 -41.65 99.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.743 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -133.04 86.29 2.29 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.568 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.2 m -68.46 -26.92 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.376 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.06 -48.54 85.6 Favored Glycine 0 C--O 1.218 -0.866 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.857 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 66.4 mmtt -60.84 -36.73 79.85 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.742 -0.858 . . . . 0.0 110.899 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.4 t -65.18 -45.15 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.637 0.732 . . . . 0.0 109.147 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.434 ' HE1' ' CE ' ' A' ' 1' ' ' FME . 12.5 m0 -59.73 -42.81 93.99 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.42 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -53.59 -50.26 66.0 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 124.801 1.313 . . . . 0.0 110.803 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.619 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 6.8 m-90 -73.26 -33.63 65.37 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 117.435 -1.706 . . . . 0.0 111.772 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.06 -44.0 95.03 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.645 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -65.92 -43.03 89.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 110.431 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 m -58.74 -39.23 80.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.969 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.6 15.61 20.27 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.483 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.98 153.51 40.4 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.247 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -72.13 151.95 42.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.506 0.67 . . . . 0.0 110.671 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -61.1 -36.77 80.56 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.432 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -64.9 -47.27 78.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.666 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.53 ' CD ' ' CH2' ' A' ' 42' ' ' TRP . 51.9 tt0 -60.74 -39.55 89.1 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.223 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.08 -47.52 92.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -66.65 -34.62 78.27 Favored 'General case' 0 CA--C 1.495 -1.166 0 C-N-CA 117.34 -1.744 . . . . 0.0 110.2 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -58.02 -49.17 77.77 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 124.897 1.373 . . . . 0.0 110.145 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.53 ' CH2' ' CD ' ' A' ' 38' ' ' GLN . 18.3 m0 -63.34 -40.69 98.0 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.284 -0.967 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.61 -46.45 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.12 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -36.0 78.47 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 118.589 -0.72 . . . . 0.0 110.682 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.52 -42.49 99.55 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 118.708 0.685 . . . . 0.0 110.386 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.72 95.85 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.122 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 tt -60.74 -44.96 96.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.506 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.02 -41.5 99.68 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -60.12 -40.58 90.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.692 0.282 . . . . 0.0 110.874 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.432 179.83 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.76 98.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.084 0.469 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.59 99.55 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.25 -45.54 92.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.853 0.358 . . . . 0.0 110.185 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.32 -43.49 97.66 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.482 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -60.39 -44.36 95.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -60.18 -45.26 93.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.152 0.501 . . . . 0.0 110.443 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.4 mt -62.68 -42.19 99.49 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.209 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.21 -43.46 98.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.338 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.1 m -61.66 -39.83 92.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.049 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -71.44 -42.69 67.89 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.512 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.24 163.15 36.65 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.621 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.643 ' NH2' HD22 ' A' ' 17' ' ' ASN . 77.9 ttt-85 -88.51 -31.92 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.988 0.423 . . . . 0.0 110.513 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.69 97.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.725 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.92 -42.56 98.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.191 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.22 -45.31 95.09 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.104 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.643 HD22 ' NH2' ' A' ' 13' ' ' ARG . 90.0 m-20 -61.82 -43.53 98.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.458 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -58.48 -46.43 86.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.13 99.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.587 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.35 -44.93 95.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.654 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.4 t -61.91 -42.92 99.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.816 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -134.86 88.78 2.46 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.811 0.339 . . . . 0.0 110.959 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.45 -26.99 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.185 0.516 . . . . 0.0 110.78 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.92 -44.54 98.01 Favored Glycine 0 C--O 1.216 -1.005 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 23.2 mmtp -62.27 -37.68 86.43 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 117.26 0.53 . . . . 0.0 111.219 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.7 t -66.68 -44.35 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -58.1 -44.5 87.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.444 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -52.38 -51.2 60.23 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 124.723 1.264 . . . . 0.0 111.073 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.3 m-90 -74.25 -32.9 63.14 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 117.729 -1.588 . . . . 0.0 112.271 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.52 -43.78 93.33 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.336 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.37 -43.78 93.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.8 m -59.73 -41.01 89.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.68 15.72 11.79 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.47 151.21 46.9 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.055 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 p -75.43 156.16 35.6 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 111.129 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -61.1 -41.21 96.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.38 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.44 -48.84 77.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.016 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.662 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 39.7 tt0 -58.93 -41.76 88.11 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.69 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.66 -46.59 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 O-C-N 123.887 0.742 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -68.2 -34.28 75.97 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 117.02 -1.872 . . . . 0.0 110.664 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -58.11 -48.02 81.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.338 1.024 . . . . 0.0 109.488 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.662 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 48.1 m0 -62.12 -42.64 99.43 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.04 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.02 -44.83 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -35.52 79.06 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.403 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -62.79 -43.18 99.49 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.877 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 50' ' ' ARG . . . -63.6 -42.59 98.23 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.354 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -44.58 94.11 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.342 -179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.29 99.9 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CD2' ' O ' ' A' ' 49' ' ' TRP . 40.8 p-90 -171.78 65.57 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.444 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 46' ' ' ALA . 94.9 mtt-85 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.085 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.73 90.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.287 0.565 . . . . 0.0 110.452 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.95 -43.08 99.44 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 4' ' ' LEU . 2.7 tm? -59.71 -44.57 93.66 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.02 -44.1 96.89 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.67 0.606 . . . . 0.0 110.46 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -59.4 -44.64 92.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.961 0.41 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.574 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 73.7 t80 -60.57 -46.86 88.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.879 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.08 -41.18 97.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.317 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.05 -44.71 95.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.745 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.418 ' HG ' ' N ' ' A' ' 11' ' ' LYS . 78.0 p -62.13 -37.31 84.68 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.305 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.574 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 41.4 mmtm -72.88 -43.06 62.98 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.1 160.9 34.71 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -86.28 -32.22 21.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.192 0.52 . . . . 0.0 110.625 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.18 99.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.919 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.11 -40.67 98.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.0 110.027 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -61.67 -46.32 90.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.161 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.87 -42.56 98.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.403 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -59.92 -46.98 87.65 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.53 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.69 97.79 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.26 -45.14 89.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.732 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.0 p -62.4 -41.6 98.79 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.919 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -127.06 86.69 2.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.289 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.01 -24.08 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.946 0.879 . . . . 0.0 109.503 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.51 -40.26 98.88 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 28.0 mmtp -62.5 -39.98 95.26 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 122.328 -0.513 . . . . 0.0 110.354 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.83 -46.32 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 O-C-N 124.095 0.872 . . . . 0.0 109.623 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -62.2 -43.56 98.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.878 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 28' ' ' GLU . 8.0 tm-20 -59.02 -45.1 91.55 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.558 0.536 . . . . 0.0 111.465 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 13.8 m95 -67.7 -38.86 84.21 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 118.811 -1.156 . . . . 0.0 110.27 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.34 -43.26 99.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.395 -179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.33 -43.98 97.97 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.249 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.5 p -63.48 -31.23 72.33 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.28 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.44 26.63 29.8 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.02 171.44 13.47 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 p -89.39 151.6 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.589 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -61.05 -40.05 92.15 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.231 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.97 -52.62 58.8 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 57.6 tt0 -56.89 -40.75 76.8 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.176 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -65.05 -45.02 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.427 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HZ3' ' HE2' ' A' ' 11' ' ' LYS . 16.2 pttm -68.01 -33.1 73.97 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 117.696 -1.602 . . . . 0.0 109.152 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -57.48 -49.65 75.59 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 124.611 1.194 . . . . 0.0 108.618 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.453 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 25.4 m0 -59.32 -44.11 92.6 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.843 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.3 mt -62.15 -47.4 93.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.624 -178.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -35.97 79.75 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.696 -178.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.533 ' OD1' ' CZ2' ' A' ' 49' ' ' TRP . 27.0 t-20 -63.34 -42.91 98.98 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.627 178.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.22 96.06 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.34 -46.14 90.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.109 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.22 -43.15 98.76 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.533 ' CZ2' ' OD1' ' A' ' 45' ' ' ASN . 41.7 m0 -62.94 -40.12 96.69 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 111.044 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.8 ptt85 . . . . . 0 C--O 1.217 -0.651 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.578 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.975 0.417 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.41 -43.2 99.64 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.8 tm? -59.5 -45.3 92.11 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 124.155 0.562 . . . . 0.0 109.527 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.5 -43.69 96.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.72 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -60.38 -43.39 96.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.361 . . . . 0.0 110.651 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.33 -45.8 92.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.17 0.509 . . . . 0.0 110.353 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.1 -40.48 96.02 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.634 -0.827 . . . . 0.0 110.5 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.07 -44.63 91.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.9 p -60.87 -38.31 85.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.179 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -72.5 -43.95 62.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.953 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.99 158.48 31.4 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.51 -33.61 25.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.372 0.606 . . . . 0.0 109.809 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.93 98.72 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.26 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.57 -42.35 98.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.894 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.38 -45.15 94.47 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.56 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.17 -43.43 98.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.311 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -60.46 -44.17 96.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.036 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.88 99.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.389 . . . . 0.0 110.686 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.02 -44.37 92.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.563 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 t -61.72 -42.36 98.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.528 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -125.66 87.6 2.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.065 0.46 . . . . 0.0 110.882 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -65.8 -25.43 36.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.995 0.902 . . . . 0.0 109.04 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.35 -42.14 99.7 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 68.9 mmtt -61.02 -40.32 93.14 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.896 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.98 -46.46 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 O-C-N 124.014 0.821 . . . . 0.0 109.79 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -62.51 -44.27 96.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.652 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.3 -45.77 87.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.3 m95 -66.43 -39.28 88.84 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 119.496 -0.882 . . . . 0.0 110.754 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 30' ' ' LEU . 84.6 mt -63.12 -42.14 99.47 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.375 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.6 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -61.2 -37.82 84.35 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.434 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 95.92 6.28 59.32 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -50.9 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.105 0.478 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.8 p -107.17 150.72 26.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.287 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.457 ' CD1' HD23 ' A' ' 4' ' ' LEU . 31.2 m-85 -57.99 -41.84 83.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.65 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.68 -50.63 70.39 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.646 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.59 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 32.3 tt0 -58.5 -41.16 84.74 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.135 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.27 -44.57 97.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -67.33 -34.42 77.29 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 117.473 -1.691 . . . . 0.0 109.615 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -56.92 -49.62 75.06 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 124.611 1.195 . . . . 0.0 108.911 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CH2' ' NE2' ' A' ' 38' ' ' GLN . 34.6 m0 -58.61 -44.28 89.87 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.308 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.61 -46.45 96.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.731 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -35.55 77.23 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.729 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.6 t30 . . . . . 0 CA--C 1.534 0.335 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.647 177.819 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.725 0.298 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.05 -41.95 99.71 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.4 tm? -61.22 -44.17 97.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.96 -44.05 97.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.71 0.291 . . . . 0.0 110.286 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -60.33 -44.82 95.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.284 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.06 -45.49 92.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 15' ' ' LEU . 26.9 mt -63.01 -42.18 99.76 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.442 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.701 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.5 tt -62.67 -43.96 97.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.676 0.274 . . . . 0.0 110.444 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.4 t -60.87 -40.95 94.91 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.922 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -71.47 -42.06 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.87 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.61 160.54 33.72 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -85.26 -33.14 22.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.239 0.542 . . . . 0.0 110.391 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.53 85.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.816 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HB3' HD22 ' A' ' 8' ' ' LEU . 11.8 mt -61.4 -41.05 96.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.259 0.552 . . . . 0.0 110.332 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -60.58 -46.18 91.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.8 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -61.54 -41.3 97.16 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.965 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.642 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 45.5 t-105 -58.96 -47.72 84.11 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.929 0.768 . . . . 0.0 110.611 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.7 98.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.625 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -64.16 -44.91 90.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -62.81 -40.58 97.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.498 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -124.96 86.4 2.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.007 0.432 . . . . 0.0 110.629 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.5 m -66.44 -24.89 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.426 0.631 . . . . 0.0 109.41 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.01 99.65 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.642 ' HZ2' ' HZ2' ' A' ' 18' ' ' TRP . 29.4 mmtp -62.0 -40.08 94.42 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 122.434 -0.45 . . . . 0.0 109.84 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.586 ' O ' HD13 ' A' ' 30' ' ' LEU . 76.4 t -61.15 -46.76 96.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.081 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -62.15 -43.22 99.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -59.39 -45.47 91.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.558 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.424 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.7 m95 -66.32 -39.64 89.42 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 119.381 -0.928 . . . . 0.0 110.339 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.1 mp -63.01 -42.86 99.94 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.323 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.88 -43.75 94.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 t -60.6 -42.43 96.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.734 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 102.64 2.63 49.96 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -50.15 179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.319 . . . . 0.0 110.453 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.9 p -103.6 154.06 19.92 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.083 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.516 ' CD1' HD23 ' A' ' 4' ' ' LEU . 8.3 m-85 -59.83 -41.15 90.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.45 -50.35 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.615 0.721 . . . . 0.0 110.592 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.623 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.4 tt0 -58.95 -40.8 85.79 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.94 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.54 -43.97 98.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.296 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -68.19 -34.55 76.49 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 117.989 -1.484 . . . . 0.0 109.697 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -56.85 -49.11 76.44 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 108.799 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.623 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 31.6 m0 -59.95 -44.61 94.31 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.328 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 18' ' ' TRP . 94.5 mt -62.73 -45.26 99.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.444 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -36.41 78.15 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.6 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.3 t30 . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.34 178.005 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.656 0.265 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.77 99.51 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -60.5 -45.05 95.23 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.237 0.542 . . . . 0.0 109.857 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.61 -43.76 95.94 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.46 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.79 -44.26 97.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.488 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -60.42 -45.39 93.78 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.891 0.376 . . . . 0.0 111.101 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.95 -42.23 99.75 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.956 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.1 tt -62.91 -43.84 97.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.384 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.13 -40.05 92.32 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.18 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 65.2 mmtt -71.69 -40.87 69.27 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.479 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.92 163.13 36.9 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.557 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -88.23 -36.35 16.8 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.479 0.657 . . . . 0.0 109.769 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.68 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.38 -43.06 99.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.359 0.599 . . . . 0.0 110.178 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -61.93 -44.98 95.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.592 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 17' ' ' ASN . 44.6 t-20 -61.1 -43.94 98.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.896 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -59.02 -46.18 88.85 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 123.574 0.546 . . . . 0.0 110.871 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.89 99.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.05 -44.09 93.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.8 t -61.55 -42.17 98.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.434 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -126.95 90.82 3.22 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.944 0.402 . . . . 0.0 110.541 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.7 -23.42 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 122.024 0.916 . . . . 0.0 109.896 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.21 -38.16 96.05 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 71.4 mmtt -63.22 -39.71 95.4 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 117.329 0.565 . . . . 0.0 109.997 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.68 -46.35 96.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.046 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -62.2 -44.21 97.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.481 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -57.19 -46.53 82.76 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.38 0.425 . . . . 0.0 111.574 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 6.2 m95 -67.12 -38.77 86.18 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 119.246 -0.982 . . . . 0.0 110.941 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 30' ' ' LEU . 33.9 mt -62.93 -42.24 99.74 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.67 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.45 -44.02 95.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.878 0.371 . . . . 0.0 110.012 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -62.42 -38.27 89.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.36 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.47 28.12 13.58 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.69 170.34 15.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.022 0.439 . . . . 0.0 110.967 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.9 p -88.21 149.27 23.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.438 ' CD1' HD23 ' A' ' 4' ' ' LEU . 35.9 m-85 -58.85 -41.97 88.23 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -63.66 -50.41 69.39 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.197 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.494 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 56.6 tt0 -58.84 -40.1 83.23 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.999 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.71 -44.25 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.172 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HZ3' ' HB3' ' A' ' 11' ' ' LYS . 51.6 pttt -67.15 -33.75 76.09 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 117.504 -1.678 . . . . 0.0 109.145 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.1 -49.7 75.06 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 124.564 1.165 . . . . 0.0 109.537 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 27.0 m0 -60.55 -43.17 97.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.221 0.534 . . . . 0.0 109.855 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.32 -46.15 97.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.254 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -35.83 77.3 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 121.721 -0.612 . . . . 0.0 111.016 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.5 t30 . . . . . 0 C--N 1.346 0.432 0 CA-C-N 118.139 0.427 . . . . 0.0 109.912 177.891 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.184 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -44.53 97.95 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.525 ' CD2' HG13 ' A' ' 26' ' ' VAL . 6.5 tp -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.48 -44.4 96.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.205 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -60.33 -44.07 95.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.147 0.498 . . . . 0.0 110.466 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.77 -45.96 92.32 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.196 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.22 -42.32 99.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.986 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -62.0 -45.01 95.49 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.84 0.353 . . . . 0.0 110.589 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -61.23 -40.33 93.61 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.651 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HD2' ' HZ3' ' A' ' 40' ' ' LYS . 66.7 mmtt -72.09 -40.77 67.99 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.248 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.34 166.53 39.32 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -88.15 -31.98 18.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.824 0.345 . . . . 0.0 110.418 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.76 95.83 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.319 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 33.6 mt -59.74 -44.06 93.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.035 0.445 . . . . 0.0 110.367 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.26 -46.09 91.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -61.8 -42.21 98.73 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.998 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -60.46 -45.29 94.24 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.075 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.29 97.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.247 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -64.61 -44.18 91.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.077 0.465 . . . . 0.0 110.689 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 p -61.92 -41.49 97.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.99 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -127.48 89.02 2.88 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.183 0.516 . . . . 0.0 110.939 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.12 -25.15 35.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.861 0.839 . . . . 0.0 109.418 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.28 98.94 Favored Glycine 0 C--O 1.22 -0.755 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 69.1 mmtt -62.03 -39.94 94.04 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 122.343 -0.504 . . . . 0.0 110.058 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG13 ' CD2' ' A' ' 4' ' ' LEU . 60.3 t -61.45 -46.81 95.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.993 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -62.1 -43.29 99.16 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.486 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.68 -46.26 89.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.515 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.7 m95 -65.16 -40.11 93.86 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.206 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 30' ' ' LEU . 39.3 mt -62.1 -43.84 97.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.718 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.57 -41.38 98.89 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.601 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 76.6 p -65.71 -23.53 66.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.932 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.96 25.18 56.46 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.721 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.57 169.6 13.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 0.0 110.75 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 p -91.17 151.28 21.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.049 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -59.77 -41.87 92.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.644 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.74 -51.09 66.47 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.901 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.598 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.7 tt0 -57.69 -41.11 80.99 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.959 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -64.51 -44.69 96.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.264 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HZ3' ' HD2' ' A' ' 11' ' ' LYS . 40.3 pttt -67.49 -32.98 74.17 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 117.368 -1.733 . . . . 0.0 109.158 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.39 -49.93 74.63 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 124.436 1.085 . . . . 0.0 109.601 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 35.3 m0 -59.42 -43.61 93.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.318 0.58 . . . . 0.0 109.603 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.73 -45.81 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.847 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -36.0 80.62 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.177 -178.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 C--N 1.348 0.525 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.035 177.829 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.753 0.311 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.6 -43.03 99.82 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.768 HD13 ' C ' ' A' ' 4' ' ' LEU . 1.7 tm? -61.61 -42.31 98.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.38 -44.07 95.78 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.776 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -43.9 94.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.095 0.474 . . . . 0.0 110.063 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.654 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 56.8 t80 -60.55 -46.5 89.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.121 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 15' ' ' LEU . 28.0 mt -61.4 -42.02 98.07 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.041 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.52 -45.02 94.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.749 0.309 . . . . 0.0 111.566 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 t -60.75 -39.41 88.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.18 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.654 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 40.1 mmtm -72.26 -42.68 65.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.492 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.62 164.51 37.99 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -88.65 -32.99 17.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.36 82.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.163 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.558 ' HB3' HD22 ' A' ' 8' ' ' LEU . 9.9 mt -61.71 -40.35 94.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -60.76 -46.72 89.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.558 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.93 -42.31 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.019 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.425 ' CD1' HD13 ' A' ' 43' ' ' ILE . 20.0 t-105 -58.66 -47.29 84.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.74 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.44 98.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.655 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -63.81 -44.51 93.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.9 t -62.25 -42.24 99.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.716 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -120.37 87.18 2.7 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.918 0.389 . . . . 0.0 110.055 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.57 -23.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.927 0.87 . . . . 0.0 109.789 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.48 -40.74 99.48 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 69.9 mmtt -61.09 -40.45 93.78 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.535 ' O ' HD23 ' A' ' 30' ' ' LEU . 53.7 t -60.94 -47.17 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.946 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -61.74 -43.03 99.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.308 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -58.5 -46.65 86.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.99 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.413 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.1 m95 -66.29 -38.62 88.19 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 119.105 -1.038 . . . . 0.0 110.721 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 26' ' ' VAL . 4.1 mm? -61.59 -43.12 99.46 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.275 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -63.29 -44.01 96.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.056 0.455 . . . . 0.0 110.116 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.0 m -63.88 -37.11 86.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.16 15.5 44.47 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.4 155.6 34.92 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.81 0.338 . . . . 0.0 110.139 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.6 p -84.58 161.58 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.723 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -59.56 -40.11 86.23 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.817 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.79 -47.71 79.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.284 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.475 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 52.3 tt0 -61.46 -39.71 91.85 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.764 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.78 -45.17 97.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 123.621 0.576 . . . . 0.0 111.112 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HB2' HD13 ' A' ' 15' ' ' LEU . 59.4 pttt -67.69 -34.69 77.4 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 117.566 -1.654 . . . . 0.0 110.178 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -57.22 -48.79 77.93 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 124.901 1.375 . . . . 0.0 109.646 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.475 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 21.8 m0 -61.93 -43.01 99.72 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 123.787 0.679 . . . . 0.0 110.378 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.425 HD13 ' CD1' ' A' ' 18' ' ' TRP . 88.4 mt -62.66 -45.81 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.378 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -36.24 78.55 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.93 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.0 t30 . . . . . 0 C--N 1.343 0.316 0 CA-C-N 118.098 0.408 . . . . 0.0 110.328 177.89 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.634 0.254 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.54 -43.66 99.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -59.76 -45.43 92.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 5' ' ' LEU . 96.2 mt -62.36 -43.7 98.21 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.691 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -61.6 -42.91 99.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.862 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.465 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 70.9 t80 -62.56 -44.86 95.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.969 0.414 . . . . 0.0 110.449 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 15' ' ' LEU . 21.1 mt -61.94 -42.71 99.42 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.853 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.7 tt -63.27 -44.76 94.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.722 0.296 . . . . 0.0 110.775 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 m -60.2 -40.08 88.83 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.905 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -71.87 -42.69 66.56 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.802 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.47 167.61 40.04 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -90.41 -31.02 17.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.982 0.42 . . . . 0.0 110.936 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.69 98.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.345 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.494 ' HB3' HD22 ' A' ' 8' ' ' LEU . 44.1 mt -59.61 -44.21 93.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.399 0.618 . . . . 0.0 110.741 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -61.01 -45.24 95.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.59 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.0 -42.88 99.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.459 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.43 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 10.2 t-105 -59.4 -45.6 91.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.87 98.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.23 -44.82 90.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.19 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -61.25 -42.96 99.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.29 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -124.11 89.12 3.03 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.937 0.398 . . . . 0.0 110.666 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.32 -23.62 32.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 122.133 0.968 . . . . 0.0 109.887 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.58 -39.55 98.01 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.1 mmtt -62.52 -38.8 91.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.285 -0.538 . . . . 0.0 109.783 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.31 -46.52 96.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.713 0.768 . . . . 0.0 109.928 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -62.28 -42.76 99.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.477 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -59.13 -44.97 92.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.041 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.5 m95 -66.4 -39.15 88.84 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.93 -43.57 98.57 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.486 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -62.46 -43.95 97.58 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.6 p -69.26 -29.42 67.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.55 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.57 19.59 56.24 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.62 151.71 44.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.607 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 p -80.19 161.42 25.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.568 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 36' ' ' TYR . 2.1 m-85 -60.51 -41.9 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.416 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.99 -49.71 76.35 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.375 0.422 . . . . 0.0 111.455 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.512 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 52.8 tt0 -62.0 -38.59 89.16 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.135 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.0 -44.54 97.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 O-C-N 123.508 0.505 . . . . 0.0 110.95 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -66.79 -36.33 82.15 Favored 'General case' 0 C--O 1.204 -1.298 0 C-N-CA 118.062 -1.455 . . . . 0.0 109.581 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -56.82 -49.97 73.79 Favored 'General case' 0 C--N 1.344 0.34 0 O-C-N 125.149 1.53 . . . . 0.0 109.627 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 23.7 m0 -61.33 -43.74 98.37 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.031 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.6 -45.83 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.201 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' OE1' ' C ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -65.6 -37.12 85.73 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.004 -178.726 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 . . . . . 0 C--N 1.352 0.691 0 CA-C-N 118.568 0.622 . . . . 0.0 110.444 178.147 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 121.013 0.435 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.81 -41.29 99.61 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.512 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.6 tm? -60.3 -44.69 95.19 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.36 -43.83 96.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.929 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -60.52 -43.75 96.78 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.361 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.698 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 73.3 t80 -59.93 -46.19 90.19 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.43 0.456 . . . . 0.0 110.373 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 15' ' ' LEU . 23.0 mt -62.58 -41.81 99.17 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.614 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.08 -43.81 97.49 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.291 0.369 . . . . 0.0 111.131 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 t -61.28 -39.43 90.37 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.093 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.698 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 41.1 mmtm -71.99 -43.45 65.1 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.325 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.5 155.09 25.78 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -76.56 -33.59 58.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.972 0.891 . . . . 0.0 109.674 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.39 97.39 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.428 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' A' ' 8' ' ' LEU . 25.6 mt -61.78 -41.94 98.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.367 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.86 -45.21 94.79 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.7 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -61.18 -43.38 98.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.976 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.432 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 49.9 t-105 -60.78 -44.57 96.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.751 0.31 . . . . 0.0 111.025 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.86 98.45 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.802 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.6 -43.63 93.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.443 ' HG ' ' CE1' ' A' ' 22' ' ' HIS . 10.8 t -62.55 -42.15 99.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.973 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.443 ' CE1' ' HG ' ' A' ' 21' ' ' SER . 74.5 m80 -125.47 86.48 2.55 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.456 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.21 -23.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 122.22 1.009 . . . . 0.0 109.364 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.1 -40.47 98.14 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 23.7 mmtp -61.4 -41.17 96.7 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 122.004 -0.704 . . . . 0.0 110.25 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.583 ' O ' HD13 ' A' ' 30' ' ' LEU . 60.6 t -60.42 -46.87 94.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.138 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.43 -43.99 97.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.557 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.44 -45.84 90.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.938 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 15.8 m95 -65.93 -39.37 90.46 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.574 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.5 mp -63.35 -43.37 97.88 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.123 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.12 -43.46 98.37 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.442 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.3 t -61.93 -41.88 98.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.383 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.85 11.28 23.08 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 151.56 45.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 p -85.31 161.17 19.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.908 0.385 . . . . 0.0 110.786 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.512 ' CD1' HD23 ' A' ' 4' ' ' LEU . 4.7 m-85 -61.47 -40.02 93.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.559 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.47 -51.44 65.59 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 53.4 tt0 -58.72 -39.35 80.57 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.427 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.403 HG21 ' CD1' ' A' ' 29' ' ' TRP . 29.7 mt -66.27 -43.1 91.82 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.703 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -66.6 -34.79 78.67 Favored 'General case' 0 CA--C 1.492 -1.287 0 C-N-CA 117.379 -1.728 . . . . 0.0 108.792 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.82 -49.64 75.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 124.809 1.318 . . . . 0.0 109.497 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 26.5 m0 -60.9 -43.38 98.61 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.994 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.5 -45.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.298 -178.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -36.44 78.62 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.679 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 . . . . . 0 N--CA 1.45 -0.437 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.228 178.275 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.928 0.394 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.94 -39.21 97.09 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.51 -45.14 94.91 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.087 0.47 . . . . 0.0 109.94 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.98 -42.55 97.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.816 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.55 -44.13 96.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.348 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.93 -45.15 95.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.192 0.52 . . . . 0.0 110.607 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.6 mt -62.54 -40.8 97.97 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.441 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.81 -45.29 90.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.992 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -59.34 -39.94 84.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -71.41 -43.01 67.58 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.54 166.35 39.61 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -88.06 -31.13 19.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.239 0.543 . . . . 0.0 110.221 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.87 98.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.613 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.83 -43.07 98.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.193 0.52 . . . . 0.0 110.122 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -62.15 -45.53 93.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.685 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.08 -42.55 98.71 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.506 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -61.17 -45.02 96.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.458 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.03 98.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.592 0.558 . . . . 0.0 110.308 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -63.23 -45.06 93.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.266 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.0 m -61.77 -41.53 97.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.931 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -125.15 86.21 2.52 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.189 0.519 . . . . 0.0 110.79 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.436 ' H ' HG23 ' A' ' 23' ' ' VAL . 2.1 t -65.82 -24.79 34.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.649 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.12 -39.63 97.89 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.4 mmtt -62.3 -39.85 94.37 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.42 ' O ' HD23 ' A' ' 30' ' ' LEU . 57.1 t -62.08 -45.91 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.195 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -62.43 -43.57 98.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.181 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.77 -45.61 89.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.609 0.568 . . . . 0.0 111.179 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 9.8 m95 -67.0 -38.31 85.78 Favored 'General case' 0 C--O 1.227 -0.091 0 C-N-CA 118.78 -1.168 . . . . 0.0 110.733 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 26' ' ' VAL . 1.6 mm? -61.54 -43.24 99.22 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.299 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.12 -43.48 98.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.022 0.439 . . . . 0.0 109.842 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 40.2 t -63.22 -43.33 98.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.734 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 97.33 5.57 57.98 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -48.18 176.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 0.0 110.434 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.8 p -97.59 156.13 16.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.541 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.77 -42.69 93.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -61.22 -51.71 67.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.477 0.656 . . . . 0.0 110.791 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.514 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.9 tt0 -58.56 -40.54 83.35 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.966 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.79 -44.79 98.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 O-C-N 123.181 0.301 . . . . 0.0 111.227 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -67.31 -34.16 76.78 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 117.724 -1.59 . . . . 0.0 109.834 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.62 -48.81 78.4 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 124.558 1.161 . . . . 0.0 109.393 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.514 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 20.1 m0 -60.97 -43.22 99.1 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.659 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.21 -46.71 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.496 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -36.05 77.8 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 119.762 -0.775 . . . . 0.0 111.185 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 24.2 t-20 . . . . . 0 C--N 1.342 0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.123 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.219 0.533 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.97 99.71 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.52 ' CD2' HG13 ' A' ' 26' ' ' VAL . 6.9 tp -61.43 -44.58 96.88 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.43 -43.56 98.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.188 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -60.17 -45.48 92.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.153 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.09 -45.57 90.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.295 0.569 . . . . 0.0 110.917 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.88 -42.31 99.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.749 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -62.44 -43.25 99.27 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.969 0.793 . . . . 0.0 109.813 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.6 t -63.02 -40.22 97.11 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.94 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HD2' ' HZ3' ' A' ' 40' ' ' LYS . 66.9 mmtt -72.39 -41.57 66.17 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.656 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.87 153.57 19.98 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.358 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -74.93 -34.24 62.08 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.68 92.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.935 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.99 -42.71 98.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.547 0.689 . . . . 0.0 110.266 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -61.9 -46.29 90.03 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.584 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -60.54 -42.84 97.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.876 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -59.77 -45.94 90.72 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.37 0.419 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.76 99.56 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.237 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.59 -44.97 94.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.633 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -61.05 -42.1 97.84 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.018 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -128.61 90.99 3.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.728 0.299 . . . . 0.0 110.788 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.45 -23.41 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.848 0.832 . . . . 0.0 109.473 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.78 99.78 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.3 mmtt -61.05 -39.69 90.78 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' CD2' ' A' ' 4' ' ' LEU . 55.0 t -61.42 -47.34 93.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.66 0.743 . . . . 0.0 110.782 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -62.51 -43.48 98.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.334 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -58.54 -45.96 87.83 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 123.617 0.573 . . . . 0.0 111.119 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.5 m95 -66.39 -39.05 88.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.985 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 30' ' ' LEU . 37.3 mt -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.366 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -61.97 -43.05 99.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.033 0.444 . . . . 0.0 110.122 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.3 m -60.49 -39.41 87.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.764 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.69 14.47 49.83 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.09 -167.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.939 0.399 . . . . 0.0 110.479 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.9 p -112.89 148.79 34.2 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -58.64 -42.94 89.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.468 0.48 . . . . 0.0 110.655 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -62.06 -51.16 69.09 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.429 0.633 . . . . 0.0 110.67 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.401 ' HG2' ' CE2' ' A' ' 42' ' ' TRP . 58.4 tt0 -57.95 -41.27 82.48 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.989 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.44 -44.41 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.341 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HZ3' ' HD2' ' A' ' 11' ' ' LYS . 41.5 pttt -67.29 -33.39 75.2 Favored 'General case' 0 C--O 1.211 -0.959 0 C-N-CA 117.326 -1.749 . . . . 0.0 108.942 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -57.66 -48.76 78.61 Favored 'General case' 0 CA--C 1.513 -0.476 0 O-C-N 124.233 0.958 . . . . 0.0 109.859 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CE2' ' HG2' ' A' ' 38' ' ' GLN . 26.5 m0 -60.27 -43.18 96.4 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.825 0.703 . . . . 0.0 109.572 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.69 -46.33 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.338 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -35.99 80.56 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.381 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.6 t30 . . . . . 0 CA--C 1.535 0.401 0 CA-C-N 118.143 0.429 . . . . 0.0 110.269 177.778 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.561 0.22 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.95 99.67 Favored Glycine 0 C--O 1.227 -0.316 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.447 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -59.82 -45.94 90.8 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.056 -0.572 . . . . 0.0 109.823 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.4 -43.54 97.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -59.16 -44.61 92.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.466 . . . . 0.0 110.337 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.402 ' CZ ' ' HE2' ' A' ' 11' ' ' LYS . 69.4 t80 -61.03 -45.92 92.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 15' ' ' LEU . 19.2 mt -61.72 -41.12 97.2 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.201 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.93 -46.2 88.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.9 m -59.47 -39.13 82.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.361 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HE2' ' CZ ' ' A' ' 7' ' ' PHE . 64.8 mmtt -71.41 -44.28 65.19 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.16 159.05 32.3 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -80.76 -33.19 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.361 0.6 . . . . 0.0 109.784 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.28 96.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.128 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.5 mt -61.38 -43.25 99.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.252 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.67 -45.31 94.63 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.266 0.555 . . . . 0.0 110.547 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -61.34 -43.78 98.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.079 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.512 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 12.6 t-105 -59.51 -45.62 91.18 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.564 0.54 . . . . 0.0 110.421 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -63.69 -44.31 94.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.687 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.8 m -60.97 -42.46 98.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.609 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -124.33 89.68 3.12 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 110.671 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.81 -25.28 32.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.787 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.4 -39.28 97.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HZ2' ' HZ2' ' A' ' 18' ' ' TRP . 28.5 mmtp -63.22 -39.75 95.53 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.287 -0.537 . . . . 0.0 109.933 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.17 -46.83 95.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.761 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -61.42 -44.3 97.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.448 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -58.02 -45.68 86.52 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.443 0.464 . . . . 0.0 110.953 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -66.93 -39.59 87.37 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.787 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.09 -43.44 98.89 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.276 -0.569 . . . . 0.0 109.76 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.94 -44.97 95.66 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.14 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -63.14 -35.28 79.76 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.825 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.99 8.45 66.98 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.52 177.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.998 0.428 . . . . 0.0 110.569 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 p -99.74 157.09 16.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.958 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.447 ' CD1' HD23 ' A' ' 4' ' ' LEU . 6.3 m-85 -60.78 -40.29 92.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -61.79 -51.81 66.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.963 0.887 . . . . 0.0 110.796 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.627 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 32.1 tt0 -58.9 -41.26 86.77 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.13 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.08 -43.9 99.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.257 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -67.98 -34.76 77.15 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 117.811 -1.555 . . . . 0.0 110.159 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.67 -48.66 78.88 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 125.229 1.581 . . . . 0.0 108.788 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 38' ' ' GLN . 31.0 m0 -60.81 -43.85 97.64 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.132 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.1 mt -62.26 -47.06 94.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.323 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -35.45 79.15 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.94 -178.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.419 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 50.1 t-20 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.465 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.745 0.307 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.06 99.64 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 36' ' ' TYR . 2.5 tm? -60.2 -45.21 93.95 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.396 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.87 -43.46 96.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.141 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -59.21 -44.92 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.941 0.401 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -59.62 -46.04 90.15 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.536 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' A' ' 15' ' ' LEU . 42.7 mt -63.14 -41.52 99.3 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.239 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.9 tt -63.04 -43.42 98.72 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.292 0.37 . . . . 0.0 110.682 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -62.81 -39.57 94.68 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.784 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -71.61 -42.37 67.77 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.901 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.43 164.09 37.39 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -87.65 -32.13 19.41 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.303 0.573 . . . . 0.0 110.236 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.66 99.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.323 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.539 ' HB3' HD22 ' A' ' 8' ' ' LEU . 37.8 mt -61.52 -42.18 98.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.216 0.531 . . . . 0.0 110.31 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -62.46 -45.1 94.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.361 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -60.43 -43.63 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.829 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -59.94 -46.35 89.67 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.595 0.559 . . . . 0.0 111.119 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.38 98.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.924 0.392 . . . . 0.0 110.908 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.32 -44.8 90.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.774 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -60.9 -42.12 97.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.325 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -128.88 87.35 2.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.136 0.493 . . . . 0.0 111.152 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.05 -23.84 34.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 122.597 1.189 . . . . 0.0 109.576 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.58 -39.77 97.96 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.7 mmtt -61.37 -40.56 94.76 Favored 'General case' 0 C--O 1.249 1.053 0 O-C-N 122.31 -0.524 . . . . 0.0 110.184 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.97 -46.21 97.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 O-C-N 124.137 0.898 . . . . 0.0 110.331 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -62.39 -43.65 98.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.448 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.14 -45.31 91.3 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.348 0.405 . . . . 0.0 111.382 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.7 m95 -66.58 -39.02 88.25 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.796 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 30' ' ' LEU . 94.6 mt -62.43 -42.13 99.22 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.59 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.9 -43.27 99.25 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -61.38 -42.22 98.37 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.172 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 102.74 1.01 49.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -46.58 177.18 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.779 0.324 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 p -99.92 150.58 22.26 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.043 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.466 ' CD1' HD23 ' A' ' 4' ' ' LEU . 41.6 m-85 -58.57 -40.85 84.26 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.403 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.5 -50.81 68.16 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.324 0.583 . . . . 0.0 110.94 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.59 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.5 tt0 -58.62 -40.78 84.27 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 121.61 -0.681 . . . . 0.0 111.128 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.38 -43.58 97.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.409 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -68.51 -33.56 74.34 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 117.585 -1.646 . . . . 0.0 109.638 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -56.67 -49.29 75.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 124.638 1.212 . . . . 0.0 109.206 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 33.3 m0 -59.89 -45.08 93.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.404 0.621 . . . . 0.0 109.829 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.99 -45.55 98.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.369 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -35.88 80.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.618 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 C--O 1.234 0.274 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.072 178.058 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.89 0.376 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.49 99.83 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.38 -44.24 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.19 -43.78 98.07 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.332 0.395 . . . . 0.0 110.456 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -59.67 -45.21 92.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 36' ' ' TYR . 55.7 t80 -60.36 -46.8 88.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.442 0.639 . . . . 0.0 110.595 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.6 -42.76 97.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.505 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.35 -44.68 90.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.412 . . . . 0.0 111.655 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.9 m -60.58 -39.32 87.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.148 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -72.01 -43.25 65.34 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.181 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.27 149.89 14.38 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -74.13 -33.83 63.67 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 122.221 1.01 . . . . 0.0 108.969 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.49 98.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.482 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 29.9 mt -60.34 -44.39 95.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.401 0.619 . . . . 0.0 110.459 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.27 -44.94 96.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.138 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -62.09 -43.71 98.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.538 ' CG ' HG23 ' A' ' 43' ' ' ILE . 23.6 t-105 -59.19 -44.82 92.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.592 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.08 99.52 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.564 0.54 . . . . 0.0 110.381 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.28 -43.7 97.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.894 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 t -63.69 -42.72 97.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.25 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -129.87 86.26 2.39 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 110.774 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.431 HG12 ' NE1' ' A' ' 27' ' ' TRP . 2.4 t -69.41 -25.05 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.065 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.49 -48.04 87.92 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.041 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 22.7 mmtp -62.46 -36.7 83.29 Favored 'General case' 0 C--O 1.257 1.499 0 CA-C-O 121.757 0.789 . . . . 0.0 110.653 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.6 -44.6 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.332 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.431 ' NE1' HG12 ' A' ' 23' ' ' VAL . 55.0 m95 -58.64 -42.08 87.5 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.271 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -52.27 -52.71 51.15 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.595 1.185 . . . . 0.0 111.156 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.2 m-90 -71.83 -33.86 68.82 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 118.271 -1.372 . . . . 0.0 112.398 -177.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.62 -42.53 99.02 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.996 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.5 -42.89 91.6 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.45 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.0 p -68.64 -32.6 72.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.657 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.51 30.93 14.41 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.43 155.95 38.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.258 0.551 . . . . 0.0 110.656 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.2 p -65.3 140.41 58.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.494 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.4 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 36.7 m-85 -58.13 -39.59 79.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.993 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HA ' ' HZ3' ' A' ' 40' ' ' LYS . 97.2 mt-10 -62.86 -48.08 80.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.877 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.544 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.0 tt0 -60.61 -39.19 87.27 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.147 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.9 -47.75 91.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 O-C-N 123.83 0.707 . . . . 0.0 111.154 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 18.8 pttm -66.6 -34.38 77.75 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 117.375 -1.73 . . . . 0.0 109.689 178.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -57.3 -49.7 75.27 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.28 0.988 . . . . 0.0 109.921 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.544 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 20.9 m0 -62.78 -40.67 98.04 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.116 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.538 HG23 ' CG ' ' A' ' 18' ' ' TRP . 89.1 mt -63.24 -45.36 98.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.444 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -36.85 81.65 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.021 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.248 177.746 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.86 -41.34 99.89 Favored Glycine 0 CA--C 1.518 0.219 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.757 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.3 tm? -62.08 -42.41 99.18 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.852 0.358 . . . . 0.0 110.686 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.65 -43.85 95.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.504 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.68 -43.73 97.35 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.574 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.92 -46.25 89.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.129 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 15' ' ' LEU . 26.6 mt -62.08 -42.61 99.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.693 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.3 tt -62.77 -43.5 98.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.443 0.464 . . . . 0.0 110.679 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 t -61.55 -40.12 93.55 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.413 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -71.95 -42.38 66.66 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.736 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.22 164.51 38.06 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -91.34 -32.7 15.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.941 0.401 . . . . 0.0 111.241 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.62 96.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.277 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' HB3' HD22 ' A' ' 8' ' ' LEU . 12.9 mt -61.19 -42.11 98.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 110.391 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.63 -45.76 92.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.153 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -61.31 -43.24 99.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.921 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.506 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 27.5 t-105 -58.83 -46.83 86.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.706 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.02 -42.69 99.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.875 0.369 . . . . 0.0 110.47 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.53 -44.48 96.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.742 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -62.92 -42.45 99.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.45 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -124.09 86.27 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.753 0.311 . . . . 0.0 110.679 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -65.95 -25.79 36.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 122.276 1.036 . . . . 0.0 109.919 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.52 -40.41 97.73 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HZ2' ' HZ2' ' A' ' 18' ' ' TRP . 29.5 mmtp -63.28 -39.27 94.1 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 121.765 -0.844 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.599 ' O ' HD13 ' A' ' 30' ' ' LEU . 77.4 t -61.93 -45.63 98.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.012 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -62.32 -43.51 98.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.28 -45.43 91.26 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.464 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.9 m95 -66.44 -39.6 88.97 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.766 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.5 mp -62.92 -42.57 99.84 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.223 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -61.29 -43.29 99.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -60.23 -44.13 95.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.11 15.35 30.92 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.76 -176.88 0.13 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.441 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 p -102.78 153.43 20.17 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.437 ' CD1' HD23 ' A' ' 4' ' ' LEU . 18.4 m-85 -59.34 -43.27 92.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.481 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.51 -50.41 72.81 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 121.637 0.732 . . . . 0.0 111.023 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 56.1 tt0 -59.42 -40.81 87.9 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.396 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.16 -43.96 97.47 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.935 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -67.85 -33.87 75.61 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 117.795 -1.562 . . . . 0.0 109.745 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -57.04 -49.7 75.0 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 124.886 1.366 . . . . 0.0 108.748 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.433 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 24.0 m0 -59.62 -43.7 93.7 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.866 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 18' ' ' TRP . 96.2 mt -62.75 -46.97 95.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.793 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.48 78.27 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.005 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 . . . . . 0 C--N 1.351 0.669 0 CA-C-O 121.325 0.583 . . . . 0.0 110.044 177.698 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.22 0 CA-C-O 120.526 0.203 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.08 -39.76 98.4 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.8 tm? -60.18 -46.18 90.57 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 124.148 0.557 . . . . 0.0 109.592 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.37 -43.64 97.05 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.612 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.9 -44.5 94.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.827 0.346 . . . . 0.0 110.489 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 15' ' ' LEU . 16.4 mt -63.44 -42.22 98.68 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.361 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.2 tt -63.0 -43.74 97.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.305 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.9 m -59.82 -40.08 87.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.779 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -71.95 -42.4 66.64 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.936 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.23 165.83 38.44 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -91.5 -31.72 15.85 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.268 0.556 . . . . 0.0 110.203 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.41 98.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' A' ' 8' ' ' LEU . 19.8 mt -61.22 -42.66 98.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.234 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -61.17 -46.17 91.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.245 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.07 -43.44 98.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.418 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -59.1 -46.77 87.45 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.743 0.652 . . . . 0.0 110.366 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.65 97.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.677 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.36 -44.58 94.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.8 m -60.95 -41.94 97.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.297 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -127.64 91.07 3.22 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.863 0.363 . . . . 0.0 110.623 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 m -68.84 -24.18 28.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.884 0.85 . . . . 0.0 109.345 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.95 99.71 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 39.8 mmtm -61.51 -39.73 92.06 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 122.512 -0.405 . . . . 0.0 109.976 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.8 -46.9 95.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.914 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -62.72 -43.19 99.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.162 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -57.44 -47.53 81.56 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.802 0.689 . . . . 0.0 111.436 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 14.1 m95 -66.81 -38.62 86.82 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.005 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 30' ' ' LEU . 87.9 mt -63.18 -41.94 99.28 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.474 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.39 -42.7 98.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.922 0.391 . . . . 0.0 110.436 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -66.95 -21.57 65.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.632 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.9 19.07 63.94 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.65 157.07 28.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.401 . . . . 0.0 110.974 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.3 p -82.75 149.77 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.757 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.456 ' CD1' HD23 ' A' ' 4' ' ' LEU . 30.2 m-85 -59.97 -41.36 91.8 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.735 0.647 . . . . 0.0 110.935 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -64.21 -50.28 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.886 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 53.2 tt0 -58.85 -41.05 86.06 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.166 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.62 -44.14 98.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 O-C-N 123.402 0.439 . . . . 0.0 111.565 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -68.43 -33.74 74.75 Favored 'General case' 0 CA--C 1.499 -1.005 0 C-N-CA 117.41 -1.716 . . . . 0.0 109.452 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -56.99 -49.93 74.26 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 124.799 1.312 . . . . 0.0 109.137 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 24.0 m0 -59.71 -43.88 93.95 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.957 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.28 -45.8 97.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.525 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -36.32 79.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.576 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.7 t30 . . . . . 0 CA--C 1.533 0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 177.803 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.208 0 CA-C-O 120.749 0.309 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.28 -42.95 98.96 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 36' ' ' TYR . 2.3 tm? -59.49 -46.16 89.62 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.796 0.331 . . . . 0.0 110.314 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.55 -43.77 97.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.381 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -59.27 -45.28 91.66 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.078 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -59.89 -45.59 92.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.528 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 15' ' ' LEU . 38.5 mt -62.83 -42.2 99.63 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.223 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.4 tt -62.62 -44.2 96.9 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.402 0.439 . . . . 0.0 110.711 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -61.07 -40.44 93.68 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.646 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -71.36 -42.8 68.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.225 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.87 161.93 35.72 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -84.44 -32.67 23.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.213 0.53 . . . . 0.0 110.575 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.14 96.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.383 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.504 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.1 mt -61.37 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 110.593 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -61.38 -45.02 96.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.593 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.64 -43.21 99.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.225 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -59.77 -45.76 91.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.5 97.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.61 -44.32 90.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.067 0.461 . . . . 0.0 110.443 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -61.38 -42.03 98.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.531 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -128.62 89.32 2.87 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.005 0.431 . . . . 0.0 110.81 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.95 -25.7 36.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.704 0.764 . . . . 0.0 109.319 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.2 -41.84 99.72 Favored Glycine 0 C--O 1.219 -0.825 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.4 mmtt -59.94 -41.53 92.02 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 122.334 -0.51 . . . . 0.0 110.079 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.06 -46.32 96.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 123.912 0.757 . . . . 0.0 110.269 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -62.72 -43.68 98.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.758 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -58.51 -46.4 86.81 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.719 0.637 . . . . 0.0 110.814 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.47 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.5 m95 -66.05 -39.53 90.19 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 30' ' ' LEU . 38.9 mt -61.81 -42.79 99.46 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.465 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.3 -42.57 99.47 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 t -61.91 -42.41 99.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.192 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.57 8.13 52.72 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.31 -178.2 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.309 . . . . 0.0 110.399 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.6 p -102.24 149.35 24.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.014 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.467 ' CD1' HD23 ' A' ' 4' ' ' LEU . 34.8 m-85 -58.73 -43.26 90.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.639 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HA ' ' HZ3' ' A' ' 40' ' ' LYS . 7.1 pt-20 -62.03 -49.17 77.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.31 0.576 . . . . 0.0 111.16 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.571 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 33.0 tt0 -59.07 -41.67 88.53 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.924 -0.485 . . . . 0.0 111.266 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.27 -44.19 97.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 123.56 0.538 . . . . 0.0 110.943 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 15.3 pttm -68.19 -34.02 75.51 Favored 'General case' 0 C--O 1.209 -1.054 0 C-N-CA 117.396 -1.722 . . . . 0.0 110.029 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -56.92 -48.79 77.43 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.795 1.309 . . . . 0.0 108.962 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.571 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 29.8 m0 -59.83 -44.77 93.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.514 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.28 -45.69 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.165 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -36.28 81.57 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.845 -178.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.422 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 43.9 t-20 . . . . . 0 CA--C 1.534 0.351 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.301 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.61 -41.98 99.68 Favored Glycine 0 N--CA 1.464 0.535 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.441 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.6 tm? -60.31 -45.32 93.79 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.62 -43.27 97.34 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.832 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -43.98 93.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.939 0.4 . . . . 0.0 110.386 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.408 ' CZ ' ' HE2' ' A' ' 11' ' ' LYS . 65.6 t80 -61.0 -45.58 94.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.708 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.99 -41.38 97.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.416 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.7 tp -64.19 -45.19 89.44 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.483 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -59.82 -39.65 85.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.037 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HE2' ' CZ ' ' A' ' 7' ' ' PHE . 65.4 mmtt -72.36 -43.52 63.89 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.783 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.92 150.04 15.71 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.558 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.38 -34.41 61.11 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 121.64 0.733 . . . . 0.0 109.205 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.45 97.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.845 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 33.3 mt -61.47 -43.65 98.49 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.394 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -61.97 -44.68 96.24 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.204 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.05 -43.67 98.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.264 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -60.08 -44.97 94.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.551 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.94 99.48 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.43 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -63.13 -44.19 96.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.816 0.341 . . . . 0.0 110.959 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.8 m -60.7 -43.17 98.1 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.756 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -130.11 88.04 2.6 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.5 m -69.58 -27.69 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.542 0.687 . . . . 0.0 109.88 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.25 -46.72 93.89 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.615 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 66.6 mmtt -61.09 -35.75 77.84 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 121.488 -1.007 . . . . 0.0 110.908 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.08 -44.69 91.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-O 121.701 0.762 . . . . 0.0 109.65 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.91 -41.82 96.85 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.07 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -52.69 -51.78 58.8 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.949 1.406 . . . . 0.0 110.675 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.615 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.8 m-90 -72.9 -33.06 65.78 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 117.474 -1.691 . . . . 0.0 111.926 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 30' ' ' LEU . 35.8 mt -59.2 -43.89 92.25 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.469 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.98 -44.35 85.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.888 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -59.4 -21.71 60.34 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.76 13.95 61.94 Favored Glycine 0 N--CA 1.468 0.821 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.68 152.61 43.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.157 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -76.02 153.27 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.535 0.683 . . . . 0.0 111.136 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.441 ' CD1' HD23 ' A' ' 4' ' ' LEU . 28.6 m-85 -60.07 -36.77 78.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.621 0.724 . . . . 0.0 109.885 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.0 -49.46 70.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.562 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.543 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.2 tt0 -59.33 -39.72 84.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.098 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.33 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 O-C-N 123.919 0.762 . . . . 0.0 111.616 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -67.71 -34.4 76.8 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 117.653 -1.619 . . . . 0.0 109.714 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -57.5 -50.62 72.46 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.68 1.237 . . . . 0.0 109.8 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.543 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 18.4 m0 -62.23 -40.58 96.61 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.281 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.59 -46.71 95.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -36.51 80.55 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 120.066 -0.654 . . . . 0.0 111.181 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.354 178.353 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 120.743 0.306 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.27 -40.84 99.16 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 110.185 -1.166 . . . . 0.0 110.185 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.774 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.5 tm? -61.89 -45.11 95.16 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.118 0.485 . . . . 0.0 110.779 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.49 -43.96 97.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.117 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -59.27 -45.24 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.86 -45.79 91.36 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.887 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 15' ' ' LEU . 25.8 mt -62.35 -42.41 99.37 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.218 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.704 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.5 tt -63.06 -44.83 94.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.598 0.561 . . . . 0.0 110.58 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -60.21 -40.19 89.25 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.992 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HE3' ' HZ2' ' A' ' 40' ' ' LYS . 66.0 mmtt -72.1 -42.25 66.32 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.49 164.33 37.94 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -90.3 -31.79 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 111.149 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.4 86.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.66 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.597 ' HB3' HD22 ' A' ' 8' ' ' LEU . 9.8 mt -61.64 -41.23 97.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.162 0.506 . . . . 0.0 109.785 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.93 -47.54 85.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.69 -42.88 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.889 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -59.82 -46.72 88.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.814 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.21 96.42 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.418 0.449 . . . . 0.0 110.333 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.63 -45.05 88.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.67 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.0 t -61.38 -43.14 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.586 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -122.98 88.93 3.02 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.945 0.403 . . . . 0.0 110.398 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.72 -24.03 32.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.343 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.17 -42.72 99.73 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 2.4 mptm? -61.63 -40.21 94.04 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.785 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.586 ' O ' HD13 ' A' ' 30' ' ' LEU . 70.9 t -60.97 -47.0 95.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 O-C-N 123.912 0.757 . . . . 0.0 109.984 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -62.86 -42.82 99.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.005 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.24 -45.32 91.46 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.984 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.4 m95 -66.93 -38.35 86.0 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 119.134 -1.026 . . . . 0.0 110.507 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.6 mp -62.97 -42.73 99.92 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.357 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.12 -42.75 99.54 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.559 -0.457 . . . . 0.0 109.793 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 m -60.52 -39.6 88.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.94 0.4 . . . . 0.0 110.731 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.34 10.38 55.89 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.28 -178.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.2 p -102.89 153.3 20.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.048 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.437 ' CD1' HD23 ' A' ' 4' ' ' LEU . 21.0 m-85 -59.08 -42.79 91.28 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.454 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -61.91 -52.3 64.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.852 0.834 . . . . 0.0 110.829 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.612 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 34.0 tt0 -57.51 -40.73 79.34 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.61 -45.05 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.405 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HZ2' ' HE3' ' A' ' 11' ' ' LYS . 15.2 pttm -67.45 -33.84 75.95 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.199 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -57.16 -49.15 76.87 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 124.767 1.292 . . . . 0.0 109.102 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.612 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 36.0 m0 -60.28 -44.29 95.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.466 0.651 . . . . 0.0 110.233 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.5 mt -62.12 -46.35 96.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.368 -177.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -36.55 78.65 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.569 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 49.2 t-20 . . . . . 0 C--O 1.237 0.4 0 CA-C-N 118.42 0.555 . . . . 0.0 110.643 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.893 0.377 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.02 -42.05 99.71 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -59.72 -45.48 92.04 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.024 0.44 . . . . 0.0 109.877 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.84 -42.81 97.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.449 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -60.3 -43.89 95.89 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -60.2 -45.43 93.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.225 0.536 . . . . 0.0 111.06 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.62 -42.29 99.5 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.208 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.2 tt -63.29 -44.2 95.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.523 0.514 . . . . 0.0 110.687 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.9 t -61.4 -40.15 93.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 120.984 -0.287 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -71.82 -41.97 67.58 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.067 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.11 160.74 34.32 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.757 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -86.76 -32.67 20.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.311 0.577 . . . . 0.0 109.716 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.36 97.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.047 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 25.0 mt -61.37 -41.94 97.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.98 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -62.04 -44.91 95.69 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.425 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -61.54 -43.28 99.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.939 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -59.05 -46.4 88.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.705 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.37 97.1 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.866 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -64.16 -43.94 93.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.174 0.512 . . . . 0.0 110.7 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.1 m -62.81 -41.65 99.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.743 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -133.04 86.29 2.29 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.568 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.2 m -68.46 -26.92 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.376 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.06 -48.54 85.6 Favored Glycine 0 C--O 1.218 -0.866 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.857 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 66.4 mmtt -60.84 -36.73 79.85 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.742 -0.858 . . . . 0.0 110.899 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.419 ' O ' HD23 ' A' ' 30' ' ' LEU . 78.4 t -65.18 -45.15 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.637 0.732 . . . . 0.0 109.147 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -59.73 -42.81 93.99 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.42 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -53.59 -50.26 66.0 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 124.801 1.313 . . . . 0.0 110.803 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.619 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 6.8 m-90 -73.26 -33.63 65.37 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 117.435 -1.706 . . . . 0.0 111.772 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 26' ' ' VAL . 1.9 mm? -60.06 -44.0 95.03 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.645 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -65.92 -43.03 89.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 110.431 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 m -58.74 -39.23 80.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.969 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.6 15.61 20.27 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.483 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 29' ' ' TRP . . . -64.98 153.51 40.4 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.247 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -72.13 151.95 42.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.506 0.67 . . . . 0.0 110.671 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.451 ' CD1' HD23 ' A' ' 4' ' ' LEU . 31.6 m-85 -61.1 -36.77 80.56 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.432 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -64.9 -47.27 78.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.666 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.53 ' CD ' ' CH2' ' A' ' 42' ' ' TRP . 51.9 tt0 -60.74 -39.55 89.1 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.223 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.08 -47.52 92.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -66.65 -34.62 78.27 Favored 'General case' 0 CA--C 1.495 -1.166 0 C-N-CA 117.34 -1.744 . . . . 0.0 110.2 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -58.02 -49.17 77.77 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 124.897 1.373 . . . . 0.0 110.145 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.53 ' CH2' ' CD ' ' A' ' 38' ' ' GLN . 18.3 m0 -63.34 -40.69 98.0 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.284 -0.967 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.61 -46.45 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.12 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -36.0 78.47 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 118.589 -0.72 . . . . 0.0 110.682 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 . . . . . 0 C--N 1.351 0.639 0 CA-C-N 118.708 0.685 . . . . 0.0 110.386 177.552 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.216 0 CA-C-O 121.084 0.469 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.59 99.55 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -60.25 -45.54 92.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.853 0.358 . . . . 0.0 110.185 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.32 -43.49 97.66 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.482 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -60.39 -44.36 95.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -60.18 -45.26 93.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.152 0.501 . . . . 0.0 110.443 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 15' ' ' LEU . 17.4 mt -62.68 -42.19 99.49 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.209 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.4 tt -63.21 -43.46 98.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.338 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.1 m -61.66 -39.83 92.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.049 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -71.44 -42.69 67.89 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.512 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.24 163.15 36.65 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.621 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -88.51 -31.92 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.988 0.423 . . . . 0.0 110.513 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.69 97.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.725 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.473 ' HB3' HD22 ' A' ' 8' ' ' LEU . 32.0 mt -60.92 -42.56 98.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.191 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.22 -45.31 95.09 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.104 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.433 HD21 ' HA ' ' A' ' 17' ' ' ASN . 6.5 m120 -61.82 -43.53 98.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.458 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -58.48 -46.43 86.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.13 99.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.587 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.35 -44.93 95.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.654 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.4 t -61.91 -42.92 99.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.816 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -134.86 88.78 2.46 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.811 0.339 . . . . 0.0 110.959 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.45 -26.99 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.185 0.516 . . . . 0.0 110.78 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.92 -44.54 98.01 Favored Glycine 0 C--O 1.216 -1.005 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 23.2 mmtp -62.27 -37.68 86.43 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 117.26 0.53 . . . . 0.0 111.219 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.7 t -66.68 -44.35 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -58.1 -44.5 87.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.444 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -52.38 -51.2 60.23 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 124.723 1.264 . . . . 0.0 111.073 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.3 m-90 -74.25 -32.9 63.14 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 117.729 -1.588 . . . . 0.0 112.271 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.52 -43.78 93.33 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.336 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.37 -43.78 93.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.8 m -59.73 -41.01 89.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.68 15.72 11.79 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' A' ' 29' ' ' TRP . . . -65.47 151.21 46.9 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.055 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 p -75.43 156.16 35.6 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 111.129 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.436 ' CD1' HD23 ' A' ' 4' ' ' LEU . 32.3 m-85 -61.1 -41.21 96.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.38 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.44 -48.84 77.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.016 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.662 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 39.7 tt0 -58.93 -41.76 88.11 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.69 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.66 -46.59 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 O-C-N 123.887 0.742 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -68.2 -34.28 75.97 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 117.02 -1.872 . . . . 0.0 110.664 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -58.11 -48.02 81.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.338 1.024 . . . . 0.0 109.488 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.662 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 48.1 m0 -62.12 -42.64 99.43 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.04 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.02 -44.83 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -35.52 79.06 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.403 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.8 t30 . . . . . 0 C--N 1.343 0.289 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.877 177.348 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 121.287 0.565 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.95 -43.08 99.44 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.762 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.7 tm? -59.71 -44.57 93.66 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.02 -44.1 96.89 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.67 0.606 . . . . 0.0 110.46 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -59.4 -44.64 92.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.961 0.41 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.466 ' CE2' ' NZ ' ' A' ' 11' ' ' LYS . 73.7 t80 -60.57 -46.86 88.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.879 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 15' ' ' LEU . 35.6 mt -62.08 -41.18 97.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.317 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.05 -44.71 95.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.745 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.0 p -62.13 -37.31 84.68 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.305 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' NZ ' ' CE2' ' A' ' 7' ' ' PHE . 41.4 mmtm -72.88 -43.06 62.98 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.1 160.9 34.71 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -86.28 -32.22 21.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.192 0.52 . . . . 0.0 110.625 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.18 99.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.919 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HB3' HD22 ' A' ' 8' ' ' LEU . 13.6 mt -63.11 -40.67 98.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.0 110.027 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -61.67 -46.32 90.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.161 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.87 -42.56 98.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.403 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.521 ' CD1' HD13 ' A' ' 43' ' ' ILE . 23.3 t-105 -59.92 -46.98 87.65 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.53 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.69 97.79 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.26 -45.14 89.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.732 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.0 p -62.4 -41.6 98.79 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.919 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -127.06 86.69 2.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.289 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.01 -24.08 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.946 0.879 . . . . 0.0 109.503 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.51 -40.26 98.88 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 28.0 mmtp -62.5 -39.98 95.26 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 122.328 -0.513 . . . . 0.0 110.354 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.83 -46.32 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 O-C-N 124.095 0.872 . . . . 0.0 109.623 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -62.2 -43.56 98.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.878 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 28' ' ' GLU . 8.0 tm-20 -59.02 -45.1 91.55 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.558 0.536 . . . . 0.0 111.465 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 13.8 m95 -67.7 -38.86 84.21 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 118.811 -1.156 . . . . 0.0 110.27 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 30' ' ' LEU . 93.2 mt -62.34 -43.26 99.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.395 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.33 -43.98 97.97 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.249 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.5 p -63.48 -31.23 72.33 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.28 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.44 26.63 29.8 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.02 171.44 13.47 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 p -89.39 151.6 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.589 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.49 ' CD1' HD23 ' A' ' 4' ' ' LEU . 30.6 m-85 -61.05 -40.05 92.15 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.231 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HA ' ' HZ3' ' A' ' 40' ' ' LYS . 83.2 tt0 -63.97 -52.62 58.8 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.453 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 57.6 tt0 -56.89 -40.75 76.8 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.176 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -65.05 -45.02 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.427 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 16.2 pttm -68.01 -33.1 73.97 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 117.696 -1.602 . . . . 0.0 109.152 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -57.48 -49.65 75.59 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 124.611 1.194 . . . . 0.0 108.618 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.453 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 25.4 m0 -59.32 -44.11 92.6 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.843 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.521 HD13 ' CD1' ' A' ' 18' ' ' TRP . 96.3 mt -62.15 -47.4 93.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.624 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -35.97 79.75 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.696 -178.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 CA--C 1.535 0.369 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.627 178.269 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.497 ' C ' ' O1 ' ' A' ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.87 97.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.527 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.414 ' N ' ' O1 ' ' A' ' 1' ' ' FME . . . -61.41 -43.2 99.64 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.8 tm? -59.5 -45.3 92.11 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 124.155 0.562 . . . . 0.0 109.527 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.5 -43.69 96.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.72 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -60.38 -43.39 96.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.361 . . . . 0.0 110.651 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.33 -45.8 92.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.17 0.509 . . . . 0.0 110.353 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.1 -40.48 96.02 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.634 -0.827 . . . . 0.0 110.5 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.07 -44.63 91.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.9 p -60.87 -38.31 85.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.179 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -72.5 -43.95 62.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.953 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.99 158.48 31.4 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.51 -33.61 25.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.372 0.606 . . . . 0.0 109.809 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.93 98.72 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.26 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.57 -42.35 98.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.894 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.38 -45.15 94.47 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.56 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.17 -43.43 98.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.311 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -60.46 -44.17 96.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.036 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.88 99.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.389 . . . . 0.0 110.686 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.02 -44.37 92.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.563 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 t -61.72 -42.36 98.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.528 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -125.66 87.6 2.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.065 0.46 . . . . 0.0 110.882 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -65.8 -25.43 36.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.995 0.902 . . . . 0.0 109.04 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.35 -42.14 99.7 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 68.9 mmtt -61.02 -40.32 93.14 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.896 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.98 -46.46 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 O-C-N 124.014 0.821 . . . . 0.0 109.79 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -62.51 -44.27 96.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.652 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.3 -45.77 87.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.3 m95 -66.43 -39.28 88.84 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 119.496 -0.882 . . . . 0.0 110.754 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 30' ' ' LEU . 84.6 mt -63.12 -42.14 99.47 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.375 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.6 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -61.2 -37.82 84.35 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.434 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 95.92 6.28 59.32 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -50.9 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.105 0.478 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.8 p -107.17 150.72 26.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.287 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.457 ' CD1' HD23 ' A' ' 4' ' ' LEU . 31.2 m-85 -57.99 -41.84 83.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.65 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.68 -50.63 70.39 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.646 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.59 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 32.3 tt0 -58.5 -41.16 84.74 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.135 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.27 -44.57 97.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -67.33 -34.42 77.29 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 117.473 -1.691 . . . . 0.0 109.615 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -56.92 -49.62 75.06 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 124.611 1.195 . . . . 0.0 108.911 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CH2' ' NE2' ' A' ' 38' ' ' GLN . 34.6 m0 -58.61 -44.28 89.87 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.308 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.61 -46.45 96.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.731 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -35.55 77.23 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.729 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -63.24 -42.57 99.23 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.647 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.38 96.62 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 47' ' ' LEU . 4.2 tt -60.02 -44.71 94.43 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.714 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.02 -42.09 99.73 Favored Glycine 0 C--N 1.336 0.583 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -62.45 -39.8 94.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.691 0.282 . . . . 0.0 110.611 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.744 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.73 94.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.689 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.05 -41.95 99.71 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.4 tm? -61.22 -44.17 97.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.96 -44.05 97.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.71 0.291 . . . . 0.0 110.286 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -60.33 -44.82 95.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.284 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.06 -45.49 92.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 15' ' ' LEU . 26.9 mt -63.01 -42.18 99.76 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.442 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.701 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.5 tt -62.67 -43.96 97.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.676 0.274 . . . . 0.0 110.444 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.4 t -60.87 -40.95 94.91 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.922 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -71.47 -42.06 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.87 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.61 160.54 33.72 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -85.26 -33.14 22.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.239 0.542 . . . . 0.0 110.391 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.53 85.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.816 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HB3' HD22 ' A' ' 8' ' ' LEU . 11.8 mt -61.4 -41.05 96.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.259 0.552 . . . . 0.0 110.332 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -60.58 -46.18 91.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.8 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -61.54 -41.3 97.16 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.965 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.642 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 45.5 t-105 -58.96 -47.72 84.11 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.929 0.768 . . . . 0.0 110.611 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.7 98.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.625 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -64.16 -44.91 90.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -62.81 -40.58 97.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.498 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -124.96 86.4 2.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.007 0.432 . . . . 0.0 110.629 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.5 m -66.44 -24.89 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.426 0.631 . . . . 0.0 109.41 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.01 99.65 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.642 ' HZ2' ' HZ2' ' A' ' 18' ' ' TRP . 29.4 mmtp -62.0 -40.08 94.42 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 122.434 -0.45 . . . . 0.0 109.84 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.586 ' O ' HD13 ' A' ' 30' ' ' LEU . 76.4 t -61.15 -46.76 96.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.081 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -62.15 -43.22 99.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -59.39 -45.47 91.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.558 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.424 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.7 m95 -66.32 -39.64 89.42 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 119.381 -0.928 . . . . 0.0 110.339 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.1 mp -63.01 -42.86 99.94 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.323 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.88 -43.75 94.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 t -60.6 -42.43 96.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.734 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 102.64 2.63 49.96 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -50.15 179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.319 . . . . 0.0 110.453 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.9 p -103.6 154.06 19.92 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.083 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.516 ' CD1' HD23 ' A' ' 4' ' ' LEU . 8.3 m-85 -59.83 -41.15 90.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.45 -50.35 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.615 0.721 . . . . 0.0 110.592 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.623 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.4 tt0 -58.95 -40.8 85.79 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.94 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.54 -43.97 98.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.296 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -68.19 -34.55 76.49 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 117.989 -1.484 . . . . 0.0 109.697 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -56.85 -49.11 76.44 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 108.799 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.623 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 31.6 m0 -59.95 -44.61 94.31 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.328 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 18' ' ' TRP . 94.5 mt -62.73 -45.26 99.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.444 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -36.41 78.15 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.6 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.07 -42.08 99.58 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.34 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.82 97.75 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.06 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.9 tt -60.15 -43.7 95.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.462 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.22 -42.59 97.85 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -61.43 -41.61 97.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.309 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.85 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.85 97.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.535 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.77 99.51 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -60.5 -45.05 95.23 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.237 0.542 . . . . 0.0 109.857 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.61 -43.76 95.94 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.46 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.79 -44.26 97.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.488 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -60.42 -45.39 93.78 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.891 0.376 . . . . 0.0 111.101 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.95 -42.23 99.75 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.956 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.1 tt -62.91 -43.84 97.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.384 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.13 -40.05 92.32 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.18 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 65.2 mmtt -71.69 -40.87 69.27 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.479 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.92 163.13 36.9 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.557 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -88.23 -36.35 16.8 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.479 0.657 . . . . 0.0 109.769 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.68 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.38 -43.06 99.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.359 0.599 . . . . 0.0 110.178 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -61.93 -44.98 95.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.592 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 17' ' ' ASN . 44.6 t-20 -61.1 -43.94 98.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.896 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -59.02 -46.18 88.85 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 123.574 0.546 . . . . 0.0 110.871 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.89 99.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.05 -44.09 93.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.8 t -61.55 -42.17 98.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.434 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -126.95 90.82 3.22 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.944 0.402 . . . . 0.0 110.541 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.7 -23.42 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 122.024 0.916 . . . . 0.0 109.896 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.21 -38.16 96.05 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 71.4 mmtt -63.22 -39.71 95.4 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 117.329 0.565 . . . . 0.0 109.997 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.68 -46.35 96.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.046 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -62.2 -44.21 97.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.481 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -57.19 -46.53 82.76 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.38 0.425 . . . . 0.0 111.574 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 6.2 m95 -67.12 -38.77 86.18 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 119.246 -0.982 . . . . 0.0 110.941 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 30' ' ' LEU . 33.9 mt -62.93 -42.24 99.74 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.67 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.45 -44.02 95.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.878 0.371 . . . . 0.0 110.012 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -62.42 -38.27 89.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.36 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.47 28.12 13.58 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.69 170.34 15.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.022 0.439 . . . . 0.0 110.967 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.9 p -88.21 149.27 23.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.438 ' CD1' HD23 ' A' ' 4' ' ' LEU . 35.9 m-85 -58.85 -41.97 88.23 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -63.66 -50.41 69.39 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.197 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.494 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 56.6 tt0 -58.84 -40.1 83.23 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.999 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.71 -44.25 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.172 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HZ3' ' HB3' ' A' ' 11' ' ' LYS . 51.6 pttt -67.15 -33.75 76.09 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 117.504 -1.678 . . . . 0.0 109.145 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.1 -49.7 75.06 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 124.564 1.165 . . . . 0.0 109.537 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 27.0 m0 -60.55 -43.17 97.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.221 0.534 . . . . 0.0 109.855 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.32 -46.15 97.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.254 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -35.83 77.3 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 121.721 -0.612 . . . . 0.0 111.016 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -63.11 -42.23 99.53 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 118.139 0.427 . . . . 0.0 109.912 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.02 96.27 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-O 120.897 0.379 . . . . 0.0 110.147 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.5 tt -60.18 -44.62 94.93 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.574 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.92 -41.75 99.82 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.324 -1.111 . . . . 0.0 110.324 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -63.0 -40.81 98.89 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.839 0.352 . . . . 0.0 110.339 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' LEU . 56.8 ttp180 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.054 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.455 ' O1 ' ' C ' ' A' ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.57 91.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.075 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.424 ' N ' ' O1 ' ' A' ' 1' ' ' FME . . . -61.32 -44.53 97.95 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.525 ' CD2' HG13 ' A' ' 26' ' ' VAL . 6.5 tp -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.48 -44.4 96.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.205 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -60.33 -44.07 95.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.147 0.498 . . . . 0.0 110.466 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.77 -45.96 92.32 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.196 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.22 -42.32 99.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.986 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -62.0 -45.01 95.49 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.84 0.353 . . . . 0.0 110.589 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -61.23 -40.33 93.61 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.651 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HD2' ' HZ3' ' A' ' 40' ' ' LYS . 66.7 mmtt -72.09 -40.77 67.99 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.248 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.34 166.53 39.32 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -88.15 -31.98 18.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.824 0.345 . . . . 0.0 110.418 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.76 95.83 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.319 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 33.6 mt -59.74 -44.06 93.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.035 0.445 . . . . 0.0 110.367 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.26 -46.09 91.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -61.8 -42.21 98.73 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.998 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -60.46 -45.29 94.24 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.075 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.29 97.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.247 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -64.61 -44.18 91.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.077 0.465 . . . . 0.0 110.689 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 p -61.92 -41.49 97.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.99 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -127.48 89.02 2.88 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.183 0.516 . . . . 0.0 110.939 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.12 -25.15 35.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.861 0.839 . . . . 0.0 109.418 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.28 98.94 Favored Glycine 0 C--O 1.22 -0.755 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 69.1 mmtt -62.03 -39.94 94.04 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 122.343 -0.504 . . . . 0.0 110.058 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG13 ' CD2' ' A' ' 4' ' ' LEU . 60.3 t -61.45 -46.81 95.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.993 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -62.1 -43.29 99.16 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.486 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.68 -46.26 89.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.515 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.7 m95 -65.16 -40.11 93.86 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.206 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 30' ' ' LEU . 39.3 mt -62.1 -43.84 97.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.718 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.57 -41.38 98.89 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.601 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 76.6 p -65.71 -23.53 66.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.932 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.96 25.18 56.46 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.721 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.57 169.6 13.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 0.0 110.75 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 p -91.17 151.28 21.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.049 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -59.77 -41.87 92.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.644 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.74 -51.09 66.47 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.901 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.598 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.7 tt0 -57.69 -41.11 80.99 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.959 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -64.51 -44.69 96.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.264 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HZ3' ' HD2' ' A' ' 11' ' ' LYS . 40.3 pttt -67.49 -32.98 74.17 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 117.368 -1.733 . . . . 0.0 109.158 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.39 -49.93 74.63 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 124.436 1.085 . . . . 0.0 109.601 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 35.3 m0 -59.42 -43.61 93.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.318 0.58 . . . . 0.0 109.603 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.73 -45.81 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.847 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -36.0 80.62 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.177 -178.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.56 -44.32 96.63 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.035 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.94 99.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.505 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -58.01 -45.19 87.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.098 -179.331 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.38 98.76 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -64.28 -41.6 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.734 0.302 . . . . 0.0 110.531 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.083 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.57 99.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.6 -43.03 99.82 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.768 HD13 ' C ' ' A' ' 4' ' ' LEU . 1.7 tm? -61.61 -42.31 98.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.38 -44.07 95.78 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.776 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -43.9 94.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.095 0.474 . . . . 0.0 110.063 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.654 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 56.8 t80 -60.55 -46.5 89.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.121 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 15' ' ' LEU . 28.0 mt -61.4 -42.02 98.07 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.041 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.52 -45.02 94.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.749 0.309 . . . . 0.0 111.566 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 t -60.75 -39.41 88.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.18 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.654 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 40.1 mmtm -72.26 -42.68 65.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.492 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.62 164.51 37.99 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -88.65 -32.99 17.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.36 82.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.163 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.558 ' HB3' HD22 ' A' ' 8' ' ' LEU . 9.9 mt -61.71 -40.35 94.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -60.76 -46.72 89.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.558 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.93 -42.31 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.019 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.425 ' CD1' HD13 ' A' ' 43' ' ' ILE . 20.0 t-105 -58.66 -47.29 84.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.74 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.44 98.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.655 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -63.81 -44.51 93.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.9 t -62.25 -42.24 99.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.716 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -120.37 87.18 2.7 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.918 0.389 . . . . 0.0 110.055 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.57 -23.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.927 0.87 . . . . 0.0 109.789 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.48 -40.74 99.48 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 69.9 mmtt -61.09 -40.45 93.78 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.535 ' O ' HD23 ' A' ' 30' ' ' LEU . 53.7 t -60.94 -47.17 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.946 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -61.74 -43.03 99.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.308 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -58.5 -46.65 86.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.99 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.413 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.1 m95 -66.29 -38.62 88.19 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 119.105 -1.038 . . . . 0.0 110.721 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 26' ' ' VAL . 4.1 mm? -61.59 -43.12 99.46 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.275 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -63.29 -44.01 96.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.056 0.455 . . . . 0.0 110.116 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.0 m -63.88 -37.11 86.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.16 15.5 44.47 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.4 155.6 34.92 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.81 0.338 . . . . 0.0 110.139 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.6 p -84.58 161.58 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.723 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -59.56 -40.11 86.23 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.817 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.79 -47.71 79.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.284 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 52.3 tt0 -61.46 -39.71 91.85 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.764 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.78 -45.17 97.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 123.621 0.576 . . . . 0.0 111.112 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HB2' HD13 ' A' ' 15' ' ' LEU . 59.4 pttt -67.69 -34.69 77.4 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 117.566 -1.654 . . . . 0.0 110.178 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -57.22 -48.79 77.93 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 124.901 1.375 . . . . 0.0 109.646 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.475 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 21.8 m0 -61.93 -43.01 99.72 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 123.787 0.679 . . . . 0.0 110.378 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.425 HD13 ' CD1' ' A' ' 18' ' ' TRP . 88.4 mt -62.66 -45.81 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.378 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -36.24 78.55 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.93 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -63.33 -42.63 98.99 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 118.098 0.408 . . . . 0.0 110.328 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 50' ' ' ARG . . . -65.13 -41.59 94.69 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 110.117 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.8 tt -59.82 -45.11 93.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.125 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.26 -43.79 97.97 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' ARG . 59.3 t-105 -78.77 -59.62 2.71 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.697 0.284 . . . . 0.0 110.625 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 46' ' ' ALA . 76.2 ttt180 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.022 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.52 92.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.764 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.54 -43.66 99.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -59.76 -45.43 92.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 5' ' ' LEU . 96.2 mt -62.36 -43.7 98.21 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.691 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -61.6 -42.91 99.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.862 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 70.9 t80 -62.56 -44.86 95.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.969 0.414 . . . . 0.0 110.449 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 15' ' ' LEU . 21.1 mt -61.94 -42.71 99.42 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.853 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.7 tt -63.27 -44.76 94.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.722 0.296 . . . . 0.0 110.775 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 m -60.2 -40.08 88.83 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.905 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -71.87 -42.69 66.56 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.802 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.47 167.61 40.04 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -90.41 -31.02 17.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.982 0.42 . . . . 0.0 110.936 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.69 98.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.345 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.494 ' HB3' HD22 ' A' ' 8' ' ' LEU . 44.1 mt -59.61 -44.21 93.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.399 0.618 . . . . 0.0 110.741 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -61.01 -45.24 95.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.59 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.0 -42.88 99.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.459 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.43 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 10.2 t-105 -59.4 -45.6 91.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.87 98.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.23 -44.82 90.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.19 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -61.25 -42.96 99.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.29 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -124.11 89.12 3.03 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.937 0.398 . . . . 0.0 110.666 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.32 -23.62 32.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 122.133 0.968 . . . . 0.0 109.887 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.58 -39.55 98.01 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.1 mmtt -62.52 -38.8 91.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.285 -0.538 . . . . 0.0 109.783 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.31 -46.52 96.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.713 0.768 . . . . 0.0 109.928 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -62.28 -42.76 99.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.477 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -59.13 -44.97 92.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.041 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.5 m95 -66.4 -39.15 88.84 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.93 -43.57 98.57 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.486 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -62.46 -43.95 97.58 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.6 p -69.26 -29.42 67.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.55 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.57 19.59 56.24 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.62 151.71 44.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.607 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 p -80.19 161.42 25.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.568 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 36' ' ' TYR . 2.1 m-85 -60.51 -41.9 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.416 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.99 -49.71 76.35 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.375 0.422 . . . . 0.0 111.455 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.512 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 52.8 tt0 -62.0 -38.59 89.16 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.135 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.0 -44.54 97.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 O-C-N 123.508 0.505 . . . . 0.0 110.95 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -66.79 -36.33 82.15 Favored 'General case' 0 C--O 1.204 -1.298 0 C-N-CA 118.062 -1.455 . . . . 0.0 109.581 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -56.82 -49.97 73.79 Favored 'General case' 0 C--N 1.344 0.34 0 O-C-N 125.149 1.53 . . . . 0.0 109.627 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 23.7 m0 -61.33 -43.74 98.37 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.031 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.6 -45.83 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.201 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' OE1' ' C ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -65.6 -37.12 85.73 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.004 -178.726 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.92 -43.37 98.98 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.568 0.622 . . . . 0.0 110.444 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -64.07 -42.42 96.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.903 0.382 . . . . 0.0 110.155 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -58.99 -44.17 91.6 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.08 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.17 -42.47 94.33 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.441 ' O ' ' O ' ' A' ' 46' ' ' ALA . 44.7 p-90 -144.9 156.91 44.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.244 179.718 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.78 96.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.913 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.81 -41.29 99.61 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.512 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.6 tm? -60.3 -44.69 95.19 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.36 -43.83 96.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.929 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -60.52 -43.75 96.78 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.361 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.698 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 73.3 t80 -59.93 -46.19 90.19 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.43 0.456 . . . . 0.0 110.373 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 15' ' ' LEU . 23.0 mt -62.58 -41.81 99.17 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.614 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.08 -43.81 97.49 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.291 0.369 . . . . 0.0 111.131 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 t -61.28 -39.43 90.37 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.093 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.698 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 41.1 mmtm -71.99 -43.45 65.1 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.325 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.5 155.09 25.78 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -76.56 -33.59 58.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.972 0.891 . . . . 0.0 109.674 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.39 97.39 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.428 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' A' ' 8' ' ' LEU . 25.6 mt -61.78 -41.94 98.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.367 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.86 -45.21 94.79 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.7 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -61.18 -43.38 98.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.976 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.432 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 49.9 t-105 -60.78 -44.57 96.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.751 0.31 . . . . 0.0 111.025 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.86 98.45 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.802 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.6 -43.63 93.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.443 ' HG ' ' CE1' ' A' ' 22' ' ' HIS . 10.8 t -62.55 -42.15 99.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.973 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.443 ' CE1' ' HG ' ' A' ' 21' ' ' SER . 74.5 m80 -125.47 86.48 2.55 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.456 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.21 -23.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 122.22 1.009 . . . . 0.0 109.364 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.1 -40.47 98.14 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 23.7 mmtp -61.4 -41.17 96.7 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 122.004 -0.704 . . . . 0.0 110.25 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.583 ' O ' HD13 ' A' ' 30' ' ' LEU . 60.6 t -60.42 -46.87 94.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.138 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.43 -43.99 97.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.557 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.44 -45.84 90.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.938 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 15.8 m95 -65.93 -39.37 90.46 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.574 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.5 mp -63.35 -43.37 97.88 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.123 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.12 -43.46 98.37 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.442 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.3 t -61.93 -41.88 98.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.383 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.85 11.28 23.08 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 151.56 45.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 p -85.31 161.17 19.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.908 0.385 . . . . 0.0 110.786 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.512 ' CD1' HD23 ' A' ' 4' ' ' LEU . 4.7 m-85 -61.47 -40.02 93.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.559 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.47 -51.44 65.59 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 53.4 tt0 -58.72 -39.35 80.57 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.427 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.403 HG21 ' CD1' ' A' ' 29' ' ' TRP . 29.7 mt -66.27 -43.1 91.82 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.703 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -66.6 -34.79 78.67 Favored 'General case' 0 CA--C 1.492 -1.287 0 C-N-CA 117.379 -1.728 . . . . 0.0 108.792 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.82 -49.64 75.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 124.809 1.318 . . . . 0.0 109.497 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 26.5 m0 -60.9 -43.38 98.61 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.994 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.5 -45.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.298 -178.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -36.44 78.62 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.679 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -62.79 -42.6 99.78 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.228 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -62.93 -41.95 99.65 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.836 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.5 tt -60.86 -43.76 97.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.545 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.48 -42.04 99.73 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.48 ' O ' ' O ' ' A' ' 46' ' ' ALA . 98.6 m95 -125.4 118.59 26.2 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.681 0.276 . . . . 0.0 110.454 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.632 179.859 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.04 99.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.928 0.394 . . . . 0.0 110.463 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.94 -39.21 97.09 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.51 -45.14 94.91 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.087 0.47 . . . . 0.0 109.94 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.98 -42.55 97.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.816 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.55 -44.13 96.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.348 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.93 -45.15 95.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.192 0.52 . . . . 0.0 110.607 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.6 mt -62.54 -40.8 97.97 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.441 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.81 -45.29 90.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.992 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -59.34 -39.94 84.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -71.41 -43.01 67.58 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.54 166.35 39.61 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -88.06 -31.13 19.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.239 0.543 . . . . 0.0 110.221 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.87 98.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.613 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.83 -43.07 98.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.193 0.52 . . . . 0.0 110.122 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -62.15 -45.53 93.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.685 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.08 -42.55 98.71 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.506 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -61.17 -45.02 96.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.458 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.03 98.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.592 0.558 . . . . 0.0 110.308 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -63.23 -45.06 93.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.266 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.0 m -61.77 -41.53 97.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.931 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -125.15 86.21 2.52 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.189 0.519 . . . . 0.0 110.79 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.436 ' H ' HG23 ' A' ' 23' ' ' VAL . 2.1 t -65.82 -24.79 34.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.649 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.12 -39.63 97.89 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.4 mmtt -62.3 -39.85 94.37 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.42 ' O ' HD23 ' A' ' 30' ' ' LEU . 57.1 t -62.08 -45.91 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.195 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -62.43 -43.57 98.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.181 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.77 -45.61 89.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.609 0.568 . . . . 0.0 111.179 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 9.8 m95 -67.0 -38.31 85.78 Favored 'General case' 0 C--O 1.227 -0.091 0 C-N-CA 118.78 -1.168 . . . . 0.0 110.733 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 26' ' ' VAL . 1.6 mm? -61.54 -43.24 99.22 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.299 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.12 -43.48 98.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.022 0.439 . . . . 0.0 109.842 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 40.2 t -63.22 -43.33 98.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.734 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 97.33 5.57 57.98 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -48.18 176.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 0.0 110.434 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.8 p -97.59 156.13 16.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.541 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.77 -42.69 93.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -61.22 -51.71 67.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.477 0.656 . . . . 0.0 110.791 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.514 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.9 tt0 -58.56 -40.54 83.35 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.966 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.79 -44.79 98.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 O-C-N 123.181 0.301 . . . . 0.0 111.227 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -67.31 -34.16 76.78 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 117.724 -1.59 . . . . 0.0 109.834 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.62 -48.81 78.4 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 124.558 1.161 . . . . 0.0 109.393 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.514 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 20.1 m0 -60.97 -43.22 99.1 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.659 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.21 -46.71 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.496 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -36.05 77.8 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 119.762 -0.775 . . . . 0.0 111.185 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.545 ' OD1' ' NE1' ' A' ' 49' ' ' TRP . 24.2 t-20 -63.1 -41.95 99.48 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.123 178.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -65.08 -41.32 95.15 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.114 0.483 . . . . 0.0 110.238 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.6 tt -60.05 -45.19 93.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.322 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.31 -42.72 98.92 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.545 ' NE1' ' OD1' ' A' ' 45' ' ' ASN . 31.1 p90 -153.14 160.56 42.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.921 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 117.872 -1.061 . . . . 0.0 109.952 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.75 95.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.219 0.533 . . . . 0.0 110.337 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.97 99.71 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.52 ' CD2' HG13 ' A' ' 26' ' ' VAL . 6.9 tp -61.43 -44.58 96.88 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.43 -43.56 98.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.188 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -60.17 -45.48 92.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.153 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.09 -45.57 90.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.295 0.569 . . . . 0.0 110.917 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.88 -42.31 99.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.749 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -62.44 -43.25 99.27 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.969 0.793 . . . . 0.0 109.813 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.6 t -63.02 -40.22 97.11 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.94 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HD2' ' HZ3' ' A' ' 40' ' ' LYS . 66.9 mmtt -72.39 -41.57 66.17 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.656 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.87 153.57 19.98 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.358 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -74.93 -34.24 62.08 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.68 92.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.935 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.99 -42.71 98.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.547 0.689 . . . . 0.0 110.266 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -61.9 -46.29 90.03 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.584 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -60.54 -42.84 97.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.876 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -59.77 -45.94 90.72 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.37 0.419 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.76 99.56 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.237 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.59 -44.97 94.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.633 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -61.05 -42.1 97.84 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.018 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -128.61 90.99 3.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.728 0.299 . . . . 0.0 110.788 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.45 -23.41 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.848 0.832 . . . . 0.0 109.473 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.78 99.78 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.3 mmtt -61.05 -39.69 90.78 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' CD2' ' A' ' 4' ' ' LEU . 55.0 t -61.42 -47.34 93.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.66 0.743 . . . . 0.0 110.782 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -62.51 -43.48 98.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.334 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -58.54 -45.96 87.83 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 123.617 0.573 . . . . 0.0 111.119 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.5 m95 -66.39 -39.05 88.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.985 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 30' ' ' LEU . 37.3 mt -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.366 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -61.97 -43.05 99.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.033 0.444 . . . . 0.0 110.122 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.3 m -60.49 -39.41 87.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.764 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.69 14.47 49.83 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.09 -167.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.939 0.399 . . . . 0.0 110.479 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.9 p -112.89 148.79 34.2 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -58.64 -42.94 89.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.468 0.48 . . . . 0.0 110.655 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -62.06 -51.16 69.09 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.429 0.633 . . . . 0.0 110.67 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' HG2' ' CE2' ' A' ' 42' ' ' TRP . 58.4 tt0 -57.95 -41.27 82.48 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.989 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.44 -44.41 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.341 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HZ3' ' HD2' ' A' ' 11' ' ' LYS . 41.5 pttt -67.29 -33.39 75.2 Favored 'General case' 0 C--O 1.211 -0.959 0 C-N-CA 117.326 -1.749 . . . . 0.0 108.942 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -57.66 -48.76 78.61 Favored 'General case' 0 CA--C 1.513 -0.476 0 O-C-N 124.233 0.958 . . . . 0.0 109.859 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CE2' ' HG2' ' A' ' 38' ' ' GLN . 26.5 m0 -60.27 -43.18 96.4 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.825 0.703 . . . . 0.0 109.572 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.69 -46.33 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.338 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -35.99 80.56 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.381 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.512 ' OD1' ' NE1' ' A' ' 49' ' ' TRP . 33.6 t30 -62.19 -42.99 99.8 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.143 0.429 . . . . 0.0 110.269 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -65.53 -41.85 92.61 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.289 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.11 -44.98 92.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.95 -179.616 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.95 -43.22 99.48 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.512 ' NE1' ' OD1' ' A' ' 45' ' ' ASN . 62.6 p-90 -153.41 158.5 41.53 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.737 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.501 179.574 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.45 ' SD ' HG11 ' A' ' 26' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.84 83.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.992 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.95 99.67 Favored Glycine 0 C--O 1.227 -0.316 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.447 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -59.82 -45.94 90.8 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.056 -0.572 . . . . 0.0 109.823 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.4 -43.54 97.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -59.16 -44.61 92.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.466 . . . . 0.0 110.337 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.402 ' CZ ' ' HE2' ' A' ' 11' ' ' LYS . 69.4 t80 -61.03 -45.92 92.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 15' ' ' LEU . 19.2 mt -61.72 -41.12 97.2 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.201 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.93 -46.2 88.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.9 m -59.47 -39.13 82.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.361 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HE2' ' CZ ' ' A' ' 7' ' ' PHE . 64.8 mmtt -71.41 -44.28 65.19 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.16 159.05 32.3 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -80.76 -33.19 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.361 0.6 . . . . 0.0 109.784 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.28 96.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.128 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.5 mt -61.38 -43.25 99.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.252 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.67 -45.31 94.63 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.266 0.555 . . . . 0.0 110.547 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -61.34 -43.78 98.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.079 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.512 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 12.6 t-105 -59.51 -45.62 91.18 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.564 0.54 . . . . 0.0 110.421 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -63.69 -44.31 94.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.687 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.8 m -60.97 -42.46 98.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.609 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -124.33 89.68 3.12 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 110.671 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.81 -25.28 32.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.787 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.4 -39.28 97.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HZ2' ' HZ2' ' A' ' 18' ' ' TRP . 28.5 mmtp -63.22 -39.75 95.53 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.287 -0.537 . . . . 0.0 109.933 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.45 HG11 ' SD ' ' A' ' 1' ' ' FME . 55.3 t -61.17 -46.83 95.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.761 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -61.42 -44.3 97.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.448 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -58.02 -45.68 86.52 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.443 0.464 . . . . 0.0 110.953 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -66.93 -39.59 87.37 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.787 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.09 -43.44 98.89 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.276 -0.569 . . . . 0.0 109.76 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.94 -44.97 95.66 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.14 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -63.14 -35.28 79.76 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.825 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.99 8.45 66.98 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.52 177.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.998 0.428 . . . . 0.0 110.569 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 p -99.74 157.09 16.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.958 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.447 ' CD1' HD23 ' A' ' 4' ' ' LEU . 6.3 m-85 -60.78 -40.29 92.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -61.79 -51.81 66.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.963 0.887 . . . . 0.0 110.796 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.627 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 32.1 tt0 -58.9 -41.26 86.77 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.13 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.08 -43.9 99.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.257 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -67.98 -34.76 77.15 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 117.811 -1.555 . . . . 0.0 110.159 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.67 -48.66 78.88 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 125.229 1.581 . . . . 0.0 108.788 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 38' ' ' GLN . 31.0 m0 -60.81 -43.85 97.64 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.132 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.1 mt -62.26 -47.06 94.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.323 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -35.45 79.15 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.94 -178.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.419 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 50.1 t-20 -63.71 -42.75 97.9 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.465 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.85 97.47 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.234 0.54 . . . . 0.0 110.171 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 47' ' ' LEU . 4.2 tt -59.77 -45.49 92.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.967 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.07 -41.96 99.68 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -160.04 126.45 4.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.693 0.282 . . . . 0.0 110.496 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.475 -179.718 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.22 98.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.698 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.06 99.64 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 36' ' ' TYR . 2.5 tm? -60.2 -45.21 93.95 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.396 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.87 -43.46 96.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.141 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -59.21 -44.92 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.941 0.401 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -59.62 -46.04 90.15 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.536 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' A' ' 15' ' ' LEU . 42.7 mt -63.14 -41.52 99.3 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.239 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.9 tt -63.04 -43.42 98.72 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.292 0.37 . . . . 0.0 110.682 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -62.81 -39.57 94.68 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.784 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -71.61 -42.37 67.77 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.901 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.43 164.09 37.39 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -87.65 -32.13 19.41 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.303 0.573 . . . . 0.0 110.236 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.66 99.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.323 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.539 ' HB3' HD22 ' A' ' 8' ' ' LEU . 37.8 mt -61.52 -42.18 98.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.216 0.531 . . . . 0.0 110.31 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -62.46 -45.1 94.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.361 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -60.43 -43.63 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.829 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -59.94 -46.35 89.67 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.595 0.559 . . . . 0.0 111.119 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.38 98.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.924 0.392 . . . . 0.0 110.908 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.32 -44.8 90.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.774 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -60.9 -42.12 97.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.325 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -128.88 87.35 2.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.136 0.493 . . . . 0.0 111.152 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.05 -23.84 34.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 122.597 1.189 . . . . 0.0 109.576 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.58 -39.77 97.96 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.7 mmtt -61.37 -40.56 94.76 Favored 'General case' 0 C--O 1.249 1.053 0 O-C-N 122.31 -0.524 . . . . 0.0 110.184 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.97 -46.21 97.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 O-C-N 124.137 0.898 . . . . 0.0 110.331 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -62.39 -43.65 98.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.448 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.14 -45.31 91.3 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.348 0.405 . . . . 0.0 111.382 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.7 m95 -66.58 -39.02 88.25 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.796 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 30' ' ' LEU . 94.6 mt -62.43 -42.13 99.22 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.59 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.9 -43.27 99.25 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -61.38 -42.22 98.37 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.172 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 102.74 1.01 49.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -46.58 177.18 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.779 0.324 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 p -99.92 150.58 22.26 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.043 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.466 ' CD1' HD23 ' A' ' 4' ' ' LEU . 41.6 m-85 -58.57 -40.85 84.26 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.403 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.5 -50.81 68.16 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.324 0.583 . . . . 0.0 110.94 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.59 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.5 tt0 -58.62 -40.78 84.27 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 121.61 -0.681 . . . . 0.0 111.128 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.38 -43.58 97.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.409 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -68.51 -33.56 74.34 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 117.585 -1.646 . . . . 0.0 109.638 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -56.67 -49.29 75.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 124.638 1.212 . . . . 0.0 109.206 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 33.3 m0 -59.89 -45.08 93.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.404 0.621 . . . . 0.0 109.829 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.99 -45.55 98.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.369 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -35.88 80.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.618 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -63.03 -42.22 99.72 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.072 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.34 95.52 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -58.67 -45.37 89.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.743 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.43 98.2 Favored Glycine 0 C--N 1.337 0.614 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.691 ' CD2' ' N ' ' A' ' 50' ' ' ARG . 57.7 p-90 -169.23 -62.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.754 -0.778 . . . . 0.0 112.668 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.691 ' N ' ' CD2' ' A' ' 49' ' ' TRP . 60.8 ttt85 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.581 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.4 99.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.807 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.49 99.83 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.38 -44.24 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.19 -43.78 98.07 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.332 0.395 . . . . 0.0 110.456 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -59.67 -45.21 92.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 36' ' ' TYR . 55.7 t80 -60.36 -46.8 88.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.442 0.639 . . . . 0.0 110.595 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.6 -42.76 97.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.505 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.35 -44.68 90.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.412 . . . . 0.0 111.655 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.9 m -60.58 -39.32 87.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.148 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -72.01 -43.25 65.34 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.181 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.27 149.89 14.38 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -74.13 -33.83 63.67 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 122.221 1.01 . . . . 0.0 108.969 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.49 98.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.482 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 29.9 mt -60.34 -44.39 95.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.401 0.619 . . . . 0.0 110.459 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.27 -44.94 96.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.138 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -62.09 -43.71 98.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.538 ' CG ' HG23 ' A' ' 43' ' ' ILE . 23.6 t-105 -59.19 -44.82 92.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.592 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.08 99.52 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.564 0.54 . . . . 0.0 110.381 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.28 -43.7 97.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.894 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 t -63.69 -42.72 97.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.25 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -129.87 86.26 2.39 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 110.774 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.431 HG12 ' NE1' ' A' ' 27' ' ' TRP . 2.4 t -69.41 -25.05 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.065 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.49 -48.04 87.92 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.041 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 22.7 mmtp -62.46 -36.7 83.29 Favored 'General case' 0 C--O 1.257 1.499 0 CA-C-O 121.757 0.789 . . . . 0.0 110.653 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.6 -44.6 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.332 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.431 ' NE1' HG12 ' A' ' 23' ' ' VAL . 55.0 m95 -58.64 -42.08 87.5 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.271 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -52.27 -52.71 51.15 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.595 1.185 . . . . 0.0 111.156 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.2 m-90 -71.83 -33.86 68.82 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 118.271 -1.372 . . . . 0.0 112.398 -177.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.62 -42.53 99.02 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.996 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.5 -42.89 91.6 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.45 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.0 p -68.64 -32.6 72.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.657 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.51 30.93 14.41 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.43 155.95 38.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.258 0.551 . . . . 0.0 110.656 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.2 p -65.3 140.41 58.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.494 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.4 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 36.7 m-85 -58.13 -39.59 79.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.993 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HA ' ' HZ3' ' A' ' 40' ' ' LYS . 97.2 mt-10 -62.86 -48.08 80.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.877 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.544 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.0 tt0 -60.61 -39.19 87.27 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.147 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.9 -47.75 91.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 O-C-N 123.83 0.707 . . . . 0.0 111.154 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 18.8 pttm -66.6 -34.38 77.75 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 117.375 -1.73 . . . . 0.0 109.689 178.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -57.3 -49.7 75.27 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.28 0.988 . . . . 0.0 109.921 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.544 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 20.9 m0 -62.78 -40.67 98.04 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.116 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.538 HG23 ' CG ' ' A' ' 18' ' ' TRP . 89.1 mt -63.24 -45.36 98.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.444 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -36.85 81.65 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.021 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.98 -42.77 99.51 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.248 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -63.89 -42.54 97.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.967 179.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.27 -44.69 92.42 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.083 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.02 -41.84 99.59 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.481 ' O ' ' O ' ' A' ' 46' ' ' ALA . 96.6 m95 -92.15 165.96 12.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.571 0.224 . . . . 0.0 110.648 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' TRP . 43.2 ttm180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.577 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.69 95.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.279 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.86 -41.34 99.89 Favored Glycine 0 CA--C 1.518 0.219 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.757 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.3 tm? -62.08 -42.41 99.18 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.852 0.358 . . . . 0.0 110.686 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.65 -43.85 95.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.504 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.68 -43.73 97.35 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.574 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.92 -46.25 89.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.129 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 15' ' ' LEU . 26.6 mt -62.08 -42.61 99.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.693 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.3 tt -62.77 -43.5 98.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.443 0.464 . . . . 0.0 110.679 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 t -61.55 -40.12 93.55 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.413 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -71.95 -42.38 66.66 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.736 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.22 164.51 38.06 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -91.34 -32.7 15.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.941 0.401 . . . . 0.0 111.241 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.62 96.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.277 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' HB3' HD22 ' A' ' 8' ' ' LEU . 12.9 mt -61.19 -42.11 98.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 110.391 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.63 -45.76 92.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.153 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -61.31 -43.24 99.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.921 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.506 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 27.5 t-105 -58.83 -46.83 86.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.706 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.02 -42.69 99.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.875 0.369 . . . . 0.0 110.47 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.53 -44.48 96.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.742 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -62.92 -42.45 99.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.45 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -124.09 86.27 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.753 0.311 . . . . 0.0 110.679 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -65.95 -25.79 36.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 122.276 1.036 . . . . 0.0 109.919 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.52 -40.41 97.73 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HZ2' ' HZ2' ' A' ' 18' ' ' TRP . 29.5 mmtp -63.28 -39.27 94.1 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 121.765 -0.844 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.599 ' O ' HD13 ' A' ' 30' ' ' LEU . 77.4 t -61.93 -45.63 98.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.012 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -62.32 -43.51 98.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.28 -45.43 91.26 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.464 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.9 m95 -66.44 -39.6 88.97 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.766 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.5 mp -62.92 -42.57 99.84 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.223 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -61.29 -43.29 99.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -60.23 -44.13 95.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.11 15.35 30.92 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.76 -176.88 0.13 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.441 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 p -102.78 153.43 20.17 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.437 ' CD1' HD23 ' A' ' 4' ' ' LEU . 18.4 m-85 -59.34 -43.27 92.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.481 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.51 -50.41 72.81 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 121.637 0.732 . . . . 0.0 111.023 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 56.1 tt0 -59.42 -40.81 87.9 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.396 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.16 -43.96 97.47 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.935 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -67.85 -33.87 75.61 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 117.795 -1.562 . . . . 0.0 109.745 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -57.04 -49.7 75.0 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 124.886 1.366 . . . . 0.0 108.748 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.433 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 24.0 m0 -59.62 -43.7 93.7 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.866 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 18' ' ' TRP . 96.2 mt -62.75 -46.97 95.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.793 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.48 78.27 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.005 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.33 -42.83 98.99 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 121.325 0.583 . . . . 0.0 110.044 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.95 97.07 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.221 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.8 tt -59.43 -45.24 92.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.434 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.63 -41.53 99.8 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -66.05 -41.2 91.17 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.017 0.436 . . . . 0.0 110.149 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.789 -1.101 . . . . 0.0 110.55 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.556 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.556 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -62.93 -41.1 99.37 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.399 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.08 -39.76 98.4 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.8 tm? -60.18 -46.18 90.57 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 124.148 0.557 . . . . 0.0 109.592 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.37 -43.64 97.05 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.612 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.9 -44.5 94.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.827 0.346 . . . . 0.0 110.489 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 15' ' ' LEU . 16.4 mt -63.44 -42.22 98.68 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.361 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.2 tt -63.0 -43.74 97.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.305 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.9 m -59.82 -40.08 87.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.779 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -71.95 -42.4 66.64 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.936 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.23 165.83 38.44 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -91.5 -31.72 15.85 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.268 0.556 . . . . 0.0 110.203 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.41 98.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' A' ' 8' ' ' LEU . 19.8 mt -61.22 -42.66 98.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.234 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -61.17 -46.17 91.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.245 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.07 -43.44 98.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.418 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -59.1 -46.77 87.45 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.743 0.652 . . . . 0.0 110.366 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.65 97.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.677 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.36 -44.58 94.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.8 m -60.95 -41.94 97.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.297 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -127.64 91.07 3.22 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.863 0.363 . . . . 0.0 110.623 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 m -68.84 -24.18 28.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.884 0.85 . . . . 0.0 109.345 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.95 99.71 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 39.8 mmtm -61.51 -39.73 92.06 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 122.512 -0.405 . . . . 0.0 109.976 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.8 -46.9 95.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.914 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -62.72 -43.19 99.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.162 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -57.44 -47.53 81.56 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.802 0.689 . . . . 0.0 111.436 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 14.1 m95 -66.81 -38.62 86.82 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.005 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 30' ' ' LEU . 87.9 mt -63.18 -41.94 99.28 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.474 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.39 -42.7 98.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.922 0.391 . . . . 0.0 110.436 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -66.95 -21.57 65.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.632 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.9 19.07 63.94 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.65 157.07 28.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.401 . . . . 0.0 110.974 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.3 p -82.75 149.77 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.757 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.456 ' CD1' HD23 ' A' ' 4' ' ' LEU . 30.2 m-85 -59.97 -41.36 91.8 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.735 0.647 . . . . 0.0 110.935 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -64.21 -50.28 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.886 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 53.2 tt0 -58.85 -41.05 86.06 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.166 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.62 -44.14 98.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 O-C-N 123.402 0.439 . . . . 0.0 111.565 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -68.43 -33.74 74.75 Favored 'General case' 0 CA--C 1.499 -1.005 0 C-N-CA 117.41 -1.716 . . . . 0.0 109.452 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -56.99 -49.93 74.26 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 124.799 1.312 . . . . 0.0 109.137 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 24.0 m0 -59.71 -43.88 93.95 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.957 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.28 -45.8 97.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.525 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -36.32 79.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.576 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' OD1' ' NE1' ' A' ' 49' ' ' TRP . 51.7 t30 -63.3 -43.34 98.11 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -63.99 -42.66 97.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.16 0.505 . . . . 0.0 110.27 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 47' ' ' LEU . 4.5 tt -60.04 -44.73 94.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.276 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.49 99.53 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.539 ' NE1' ' OD1' ' A' ' 45' ' ' ASN . 55.8 p-90 -153.37 160.85 42.74 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.217 -0.64 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.705 178.89 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.451 ' O1 ' ' C ' ' A' ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.99 98.27 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.768 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.28 -42.95 98.96 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 36' ' ' TYR . 2.3 tm? -59.49 -46.16 89.62 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.796 0.331 . . . . 0.0 110.314 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.55 -43.77 97.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.381 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -59.27 -45.28 91.66 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.078 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -59.89 -45.59 92.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.528 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 15' ' ' LEU . 38.5 mt -62.83 -42.2 99.63 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.223 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.4 tt -62.62 -44.2 96.9 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.402 0.439 . . . . 0.0 110.711 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -61.07 -40.44 93.68 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.646 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -71.36 -42.8 68.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.225 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.87 161.93 35.72 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -84.44 -32.67 23.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.213 0.53 . . . . 0.0 110.575 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.14 96.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.383 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.1 mt -61.37 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 110.593 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -61.38 -45.02 96.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.593 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.64 -43.21 99.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.225 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -59.77 -45.76 91.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.5 97.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.61 -44.32 90.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.067 0.461 . . . . 0.0 110.443 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -61.38 -42.03 98.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.531 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -128.62 89.32 2.87 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.005 0.431 . . . . 0.0 110.81 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.95 -25.7 36.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.704 0.764 . . . . 0.0 109.319 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.2 -41.84 99.72 Favored Glycine 0 C--O 1.219 -0.825 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.4 mmtt -59.94 -41.53 92.02 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 122.334 -0.51 . . . . 0.0 110.079 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.06 -46.32 96.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 123.912 0.757 . . . . 0.0 110.269 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -62.72 -43.68 98.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.758 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -58.51 -46.4 86.81 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.719 0.637 . . . . 0.0 110.814 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.47 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.5 m95 -66.05 -39.53 90.19 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 30' ' ' LEU . 38.9 mt -61.81 -42.79 99.46 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.465 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.3 -42.57 99.47 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 t -61.91 -42.41 99.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.192 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.57 8.13 52.72 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.31 -178.2 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.309 . . . . 0.0 110.399 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.6 p -102.24 149.35 24.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.014 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.467 ' CD1' HD23 ' A' ' 4' ' ' LEU . 34.8 m-85 -58.73 -43.26 90.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.639 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HA ' ' HZ3' ' A' ' 40' ' ' LYS . 7.1 pt-20 -62.03 -49.17 77.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.31 0.576 . . . . 0.0 111.16 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.571 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 33.0 tt0 -59.07 -41.67 88.53 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.924 -0.485 . . . . 0.0 111.266 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.27 -44.19 97.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 123.56 0.538 . . . . 0.0 110.943 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 15.3 pttm -68.19 -34.02 75.51 Favored 'General case' 0 C--O 1.209 -1.054 0 C-N-CA 117.396 -1.722 . . . . 0.0 110.029 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -56.92 -48.79 77.43 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.795 1.309 . . . . 0.0 108.962 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.571 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 29.8 m0 -59.83 -44.77 93.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.514 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.28 -45.69 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.165 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -36.28 81.57 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.845 -178.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.577 ' OD1' ' CE2' ' A' ' 49' ' ' TRP . 43.9 t-20 -63.05 -42.29 99.7 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.301 177.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.15 -42.1 94.11 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.031 0.443 . . . . 0.0 110.227 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -58.11 -44.69 87.83 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.186 -179.818 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.86 99.13 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.577 ' CE2' ' OD1' ' A' ' 45' ' ' ASN . 29.2 p90 -153.14 155.78 37.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.832 0.348 . . . . 0.0 110.697 179.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.522 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.05 95.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.803 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.61 -41.98 99.68 Favored Glycine 0 N--CA 1.464 0.535 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.441 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.6 tm? -60.31 -45.32 93.79 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.62 -43.27 97.34 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.832 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -43.98 93.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.939 0.4 . . . . 0.0 110.386 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' CZ ' ' HE2' ' A' ' 11' ' ' LYS . 65.6 t80 -61.0 -45.58 94.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.708 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.99 -41.38 97.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.416 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.7 tp -64.19 -45.19 89.44 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.483 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -59.82 -39.65 85.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.037 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HE2' ' CZ ' ' A' ' 7' ' ' PHE . 65.4 mmtt -72.36 -43.52 63.89 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.783 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.92 150.04 15.71 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.558 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.38 -34.41 61.11 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 121.64 0.733 . . . . 0.0 109.205 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.45 97.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.845 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 33.3 mt -61.47 -43.65 98.49 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.394 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -61.97 -44.68 96.24 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.204 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.05 -43.67 98.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.264 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -60.08 -44.97 94.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.551 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.94 99.48 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.43 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -63.13 -44.19 96.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.816 0.341 . . . . 0.0 110.959 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.8 m -60.7 -43.17 98.1 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.756 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -130.11 88.04 2.6 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.5 m -69.58 -27.69 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.542 0.687 . . . . 0.0 109.88 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.25 -46.72 93.89 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.615 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 66.6 mmtt -61.09 -35.75 77.84 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 121.488 -1.007 . . . . 0.0 110.908 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.08 -44.69 91.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-O 121.701 0.762 . . . . 0.0 109.65 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.91 -41.82 96.85 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.07 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -52.69 -51.78 58.8 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.949 1.406 . . . . 0.0 110.675 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.615 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.8 m-90 -72.9 -33.06 65.78 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 117.474 -1.691 . . . . 0.0 111.926 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 30' ' ' LEU . 35.8 mt -59.2 -43.89 92.25 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.469 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.98 -44.35 85.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.888 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -59.4 -21.71 60.34 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.76 13.95 61.94 Favored Glycine 0 N--CA 1.468 0.821 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.68 152.61 43.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.157 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -76.02 153.27 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.535 0.683 . . . . 0.0 111.136 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.441 ' CD1' HD23 ' A' ' 4' ' ' LEU . 28.6 m-85 -60.07 -36.77 78.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.621 0.724 . . . . 0.0 109.885 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.0 -49.46 70.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.562 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.543 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.2 tt0 -59.33 -39.72 84.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.098 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.33 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 O-C-N 123.919 0.762 . . . . 0.0 111.616 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -67.71 -34.4 76.8 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 117.653 -1.619 . . . . 0.0 109.714 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -57.5 -50.62 72.46 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.68 1.237 . . . . 0.0 109.8 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.543 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 18.4 m0 -62.23 -40.58 96.61 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.281 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.59 -46.71 95.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -36.51 80.55 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 120.066 -0.654 . . . . 0.0 111.181 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -63.89 -42.84 97.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.354 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.89 98.87 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 50' ' ' ARG . 1.7 mp -59.26 -46.01 89.67 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.267 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.25 -41.42 99.73 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -61.22 -40.3 93.47 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.93 0.395 . . . . 0.0 110.529 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 47' ' ' LEU . 40.3 ptt180 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.097 -0.954 . . . . 0.0 110.95 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.02 98.44 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.27 -40.84 99.16 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 110.185 -1.166 . . . . 0.0 110.185 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.774 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.5 tm? -61.89 -45.11 95.16 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.118 0.485 . . . . 0.0 110.779 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.49 -43.96 97.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.117 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -59.27 -45.24 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.86 -45.79 91.36 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.887 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 15' ' ' LEU . 25.8 mt -62.35 -42.41 99.37 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.218 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.704 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.5 tt -63.06 -44.83 94.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.598 0.561 . . . . 0.0 110.58 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -60.21 -40.19 89.25 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.992 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HE3' ' HZ2' ' A' ' 40' ' ' LYS . 66.0 mmtt -72.1 -42.25 66.32 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.49 164.33 37.94 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -90.3 -31.79 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 111.149 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.4 86.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.66 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.597 ' HB3' HD22 ' A' ' 8' ' ' LEU . 9.8 mt -61.64 -41.23 97.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.162 0.506 . . . . 0.0 109.785 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.93 -47.54 85.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.69 -42.88 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.889 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -59.82 -46.72 88.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.814 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.21 96.42 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.418 0.449 . . . . 0.0 110.333 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.63 -45.05 88.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.67 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.0 t -61.38 -43.14 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.586 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -122.98 88.93 3.02 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.945 0.403 . . . . 0.0 110.398 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.72 -24.03 32.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.343 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.17 -42.72 99.73 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 2.4 mptm? -61.63 -40.21 94.04 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.785 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.586 ' O ' HD13 ' A' ' 30' ' ' LEU . 70.9 t -60.97 -47.0 95.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 O-C-N 123.912 0.757 . . . . 0.0 109.984 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -62.86 -42.82 99.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.005 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.24 -45.32 91.46 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.984 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.4 m95 -66.93 -38.35 86.0 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 119.134 -1.026 . . . . 0.0 110.507 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.6 mp -62.97 -42.73 99.92 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.357 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.12 -42.75 99.54 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.559 -0.457 . . . . 0.0 109.793 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 m -60.52 -39.6 88.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.94 0.4 . . . . 0.0 110.731 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.34 10.38 55.89 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.28 -178.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.2 p -102.89 153.3 20.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.048 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.437 ' CD1' HD23 ' A' ' 4' ' ' LEU . 21.0 m-85 -59.08 -42.79 91.28 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.454 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -61.91 -52.3 64.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.852 0.834 . . . . 0.0 110.829 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.612 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 34.0 tt0 -57.51 -40.73 79.34 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.61 -45.05 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.405 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HZ2' ' HE3' ' A' ' 11' ' ' LYS . 15.2 pttm -67.45 -33.84 75.95 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.199 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -57.16 -49.15 76.87 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 124.767 1.292 . . . . 0.0 109.102 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.612 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 36.0 m0 -60.28 -44.29 95.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.466 0.651 . . . . 0.0 110.233 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.5 mt -62.12 -46.35 96.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.368 -177.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -36.55 78.65 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.569 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.582 ' OD1' ' CE2' ' A' ' 49' ' ' TRP . 49.2 t-20 -62.55 -41.75 99.1 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.42 0.555 . . . . 0.0 110.643 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.89 93.52 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.6 tt -59.78 -44.94 93.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.418 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.52 -43.71 98.54 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.582 ' CE2' ' OD1' ' A' ' 45' ' ' ASN . 26.9 p90 -154.31 160.19 41.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.323 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.221 179.533 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' FME . . . . . 0.476 ' CE ' ' HE1' ' A' ' 27' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.0 97.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.36 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.02 -42.05 99.71 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -59.72 -45.48 92.04 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.024 0.44 . . . . 0.0 109.877 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.84 -42.81 97.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.449 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -60.3 -43.89 95.89 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -60.2 -45.43 93.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.225 0.536 . . . . 0.0 111.06 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.62 -42.29 99.5 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.208 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.2 tt -63.29 -44.2 95.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.523 0.514 . . . . 0.0 110.687 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.9 t -61.4 -40.15 93.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 120.984 -0.287 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -71.82 -41.97 67.58 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.067 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.11 160.74 34.32 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.757 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -86.76 -32.67 20.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.311 0.577 . . . . 0.0 109.716 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.36 97.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.047 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 25.0 mt -61.37 -41.94 97.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.98 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -62.04 -44.91 95.69 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.425 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -61.54 -43.28 99.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.939 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -59.05 -46.4 88.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.705 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.37 97.1 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.866 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -64.16 -43.94 93.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.174 0.512 . . . . 0.0 110.7 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.1 m -62.81 -41.65 99.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.743 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -133.04 86.29 2.29 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.568 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.2 m -68.46 -26.92 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.376 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.06 -48.54 85.6 Favored Glycine 0 C--O 1.218 -0.866 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.857 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 66.4 mmtt -60.84 -36.73 79.85 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.742 -0.858 . . . . 0.0 110.899 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.419 ' O ' HD23 ' A' ' 30' ' ' LEU . 78.4 t -65.18 -45.15 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.637 0.732 . . . . 0.0 109.147 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.476 ' HE1' ' CE ' ' A' ' 1' ' ' FME . 12.5 m0 -59.73 -42.81 93.99 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.42 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -53.59 -50.26 66.0 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 124.801 1.313 . . . . 0.0 110.803 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.619 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 6.8 m-90 -73.26 -33.63 65.37 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 117.435 -1.706 . . . . 0.0 111.772 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 26' ' ' VAL . 1.9 mm? -60.06 -44.0 95.03 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.645 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -65.92 -43.03 89.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 110.431 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 m -58.74 -39.23 80.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.969 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.6 15.61 20.27 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.483 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 29' ' ' TRP . . . -64.98 153.51 40.4 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.247 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -72.13 151.95 42.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.506 0.67 . . . . 0.0 110.671 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.451 ' CD1' HD23 ' A' ' 4' ' ' LEU . 31.6 m-85 -61.1 -36.77 80.56 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.432 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -64.9 -47.27 78.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.666 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.53 ' CD ' ' CH2' ' A' ' 42' ' ' TRP . 51.9 tt0 -60.74 -39.55 89.1 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.223 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.08 -47.52 92.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -66.65 -34.62 78.27 Favored 'General case' 0 CA--C 1.495 -1.166 0 C-N-CA 117.34 -1.744 . . . . 0.0 110.2 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -58.02 -49.17 77.77 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 124.897 1.373 . . . . 0.0 110.145 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.53 ' CH2' ' CD ' ' A' ' 38' ' ' GLN . 18.3 m0 -63.34 -40.69 98.0 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.284 -0.967 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.61 -46.45 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.12 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -36.0 78.47 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 118.589 -0.72 . . . . 0.0 110.682 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.52 -42.49 99.55 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 118.708 0.685 . . . . 0.0 110.386 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.72 95.85 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.122 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.6 tt -60.74 -44.96 96.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.506 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.02 -41.5 99.68 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -60.12 -40.58 90.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.692 0.282 . . . . 0.0 110.874 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.432 179.83 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.76 98.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.084 0.469 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.59 99.55 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -60.25 -45.54 92.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.853 0.358 . . . . 0.0 110.185 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.32 -43.49 97.66 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.482 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -60.39 -44.36 95.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -60.18 -45.26 93.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.152 0.501 . . . . 0.0 110.443 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 15' ' ' LEU . 17.4 mt -62.68 -42.19 99.49 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.209 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.4 tt -63.21 -43.46 98.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.338 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.1 m -61.66 -39.83 92.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.049 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -71.44 -42.69 67.89 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.512 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.24 163.15 36.65 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.621 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -88.51 -31.92 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.988 0.423 . . . . 0.0 110.513 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.69 97.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.725 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.473 ' HB3' HD22 ' A' ' 8' ' ' LEU . 32.0 mt -60.92 -42.56 98.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.191 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.22 -45.31 95.09 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.104 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.433 HD21 ' HA ' ' A' ' 17' ' ' ASN . 6.5 m120 -61.82 -43.53 98.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.458 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -58.48 -46.43 86.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.13 99.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.587 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.35 -44.93 95.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.654 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.4 t -61.91 -42.92 99.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.816 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -134.86 88.78 2.46 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.811 0.339 . . . . 0.0 110.959 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.45 -26.99 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.185 0.516 . . . . 0.0 110.78 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.92 -44.54 98.01 Favored Glycine 0 C--O 1.216 -1.005 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 23.2 mmtp -62.27 -37.68 86.43 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 117.26 0.53 . . . . 0.0 111.219 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.7 t -66.68 -44.35 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -58.1 -44.5 87.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.444 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -52.38 -51.2 60.23 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 124.723 1.264 . . . . 0.0 111.073 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.3 m-90 -74.25 -32.9 63.14 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 117.729 -1.588 . . . . 0.0 112.271 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.52 -43.78 93.33 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.336 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.37 -43.78 93.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.8 m -59.73 -41.01 89.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.68 15.72 11.79 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' A' ' 29' ' ' TRP . . . -65.47 151.21 46.9 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.055 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 p -75.43 156.16 35.6 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 111.129 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.436 ' CD1' HD23 ' A' ' 4' ' ' LEU . 32.3 m-85 -61.1 -41.21 96.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.38 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.44 -48.84 77.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.016 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.662 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 39.7 tt0 -58.93 -41.76 88.11 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.69 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.66 -46.59 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 O-C-N 123.887 0.742 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -68.2 -34.28 75.97 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 117.02 -1.872 . . . . 0.0 110.664 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -58.11 -48.02 81.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.338 1.024 . . . . 0.0 109.488 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.662 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 48.1 m0 -62.12 -42.64 99.43 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.04 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.02 -44.83 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -35.52 79.06 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.403 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -62.79 -43.18 99.49 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.877 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 50' ' ' ARG . . . -63.6 -42.59 98.23 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.354 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.88 -44.58 94.11 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.342 -179.583 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.29 99.9 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CD2' ' O ' ' A' ' 49' ' ' TRP . 40.8 p-90 -171.78 65.57 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.444 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 46' ' ' ALA . 94.9 mtt-85 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.085 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.73 90.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.287 0.565 . . . . 0.0 110.452 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.95 -43.08 99.44 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.762 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.7 tm? -59.71 -44.57 93.66 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.02 -44.1 96.89 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.67 0.606 . . . . 0.0 110.46 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -59.4 -44.64 92.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.961 0.41 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.466 ' CE2' ' NZ ' ' A' ' 11' ' ' LYS . 73.7 t80 -60.57 -46.86 88.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.879 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 15' ' ' LEU . 35.6 mt -62.08 -41.18 97.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.317 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.05 -44.71 95.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.745 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.0 p -62.13 -37.31 84.68 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.305 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' NZ ' ' CE2' ' A' ' 7' ' ' PHE . 41.4 mmtm -72.88 -43.06 62.98 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.1 160.9 34.71 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -86.28 -32.22 21.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.192 0.52 . . . . 0.0 110.625 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.18 99.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.919 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HB3' HD22 ' A' ' 8' ' ' LEU . 13.6 mt -63.11 -40.67 98.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.0 110.027 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -61.67 -46.32 90.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.161 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.87 -42.56 98.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.403 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.521 ' CD1' HD13 ' A' ' 43' ' ' ILE . 23.3 t-105 -59.92 -46.98 87.65 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.53 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.69 97.79 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.26 -45.14 89.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.732 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.0 p -62.4 -41.6 98.79 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.919 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -127.06 86.69 2.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.289 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.01 -24.08 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.946 0.879 . . . . 0.0 109.503 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.51 -40.26 98.88 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 28.0 mmtp -62.5 -39.98 95.26 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 122.328 -0.513 . . . . 0.0 110.354 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.83 -46.32 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 O-C-N 124.095 0.872 . . . . 0.0 109.623 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -62.2 -43.56 98.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.878 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 28' ' ' GLU . 8.0 tm-20 -59.02 -45.1 91.55 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.558 0.536 . . . . 0.0 111.465 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 13.8 m95 -67.7 -38.86 84.21 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 118.811 -1.156 . . . . 0.0 110.27 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 30' ' ' LEU . 93.2 mt -62.34 -43.26 99.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.395 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.33 -43.98 97.97 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.249 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.5 p -63.48 -31.23 72.33 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.28 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.44 26.63 29.8 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.02 171.44 13.47 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 p -89.39 151.6 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.589 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.49 ' CD1' HD23 ' A' ' 4' ' ' LEU . 30.6 m-85 -61.05 -40.05 92.15 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.231 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HA ' ' HZ3' ' A' ' 40' ' ' LYS . 83.2 tt0 -63.97 -52.62 58.8 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 57.6 tt0 -56.89 -40.75 76.8 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.176 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -65.05 -45.02 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.427 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 16.2 pttm -68.01 -33.1 73.97 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 117.696 -1.602 . . . . 0.0 109.152 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -57.48 -49.65 75.59 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 124.611 1.194 . . . . 0.0 108.618 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.453 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 25.4 m0 -59.32 -44.11 92.6 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.843 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.521 HD13 ' CD1' ' A' ' 18' ' ' TRP . 96.3 mt -62.15 -47.4 93.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.624 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -35.97 79.75 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.696 -178.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.64 ' ND2' ' CZ2' ' A' ' 49' ' ' TRP . 24.4 t30 -63.34 -42.91 98.98 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.627 178.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.22 96.06 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.34 -46.14 90.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.109 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.22 -43.15 98.76 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.64 ' CZ2' ' ND2' ' A' ' 45' ' ' ASN . 41.7 m0 -62.94 -40.12 96.69 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 111.044 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.8 ptt85 . . . . . 0 C--O 1.217 -0.651 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.578 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 120.975 0.417 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.41 -43.2 99.64 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.8 tm? -59.5 -45.3 92.11 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 124.155 0.562 . . . . 0.0 109.527 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.5 -43.69 96.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.72 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -60.38 -43.39 96.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.361 . . . . 0.0 110.651 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.33 -45.8 92.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.17 0.509 . . . . 0.0 110.353 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.1 -40.48 96.02 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.634 -0.827 . . . . 0.0 110.5 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.07 -44.63 91.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.9 p -60.87 -38.31 85.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.179 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -72.5 -43.95 62.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.953 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.99 158.48 31.4 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.51 -33.61 25.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.372 0.606 . . . . 0.0 109.809 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.93 98.72 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.26 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.57 -42.35 98.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.894 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.38 -45.15 94.47 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.56 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.17 -43.43 98.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.311 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -60.46 -44.17 96.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.036 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.88 99.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.389 . . . . 0.0 110.686 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.02 -44.37 92.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.563 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 t -61.72 -42.36 98.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.528 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -125.66 87.6 2.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.065 0.46 . . . . 0.0 110.882 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -65.8 -25.43 36.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.995 0.902 . . . . 0.0 109.04 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.35 -42.14 99.7 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 68.9 mmtt -61.02 -40.32 93.14 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.896 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.98 -46.46 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 O-C-N 124.014 0.821 . . . . 0.0 109.79 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -62.51 -44.27 96.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.652 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.3 -45.77 87.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.3 m95 -66.43 -39.28 88.84 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 119.496 -0.882 . . . . 0.0 110.754 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 30' ' ' LEU . 84.6 mt -63.12 -42.14 99.47 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.375 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.6 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -61.2 -37.82 84.35 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.434 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 95.92 6.28 59.32 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -50.9 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.105 0.478 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.8 p -107.17 150.72 26.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.287 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.457 ' CD1' HD23 ' A' ' 4' ' ' LEU . 31.2 m-85 -57.99 -41.84 83.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.65 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.68 -50.63 70.39 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.646 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.59 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 32.3 tt0 -58.5 -41.16 84.74 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.135 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.27 -44.57 97.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -67.33 -34.42 77.29 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 117.473 -1.691 . . . . 0.0 109.615 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -56.92 -49.62 75.06 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 124.611 1.195 . . . . 0.0 108.911 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CH2' ' NE2' ' A' ' 38' ' ' GLN . 34.6 m0 -58.61 -44.28 89.87 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.308 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.61 -46.45 96.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.731 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -35.55 77.23 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.729 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.6 t30 . . . . . 0 CA--C 1.534 0.335 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.647 177.819 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.079 0 CA-C-O 120.725 0.298 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.05 -41.95 99.71 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.4 tm? -61.22 -44.17 97.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.96 -44.05 97.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.71 0.291 . . . . 0.0 110.286 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -60.33 -44.82 95.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.284 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.06 -45.49 92.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 15' ' ' LEU . 26.9 mt -63.01 -42.18 99.76 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.442 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.701 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.5 tt -62.67 -43.96 97.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.676 0.274 . . . . 0.0 110.444 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.4 t -60.87 -40.95 94.91 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.922 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -71.47 -42.06 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.87 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.61 160.54 33.72 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -85.26 -33.14 22.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.239 0.542 . . . . 0.0 110.391 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.53 85.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.816 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HB3' HD22 ' A' ' 8' ' ' LEU . 11.8 mt -61.4 -41.05 96.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.259 0.552 . . . . 0.0 110.332 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -60.58 -46.18 91.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.8 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -61.54 -41.3 97.16 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.965 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.642 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 45.5 t-105 -58.96 -47.72 84.11 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.929 0.768 . . . . 0.0 110.611 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.7 98.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.625 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -64.16 -44.91 90.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -62.81 -40.58 97.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.498 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -124.96 86.4 2.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.007 0.432 . . . . 0.0 110.629 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.5 m -66.44 -24.89 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.426 0.631 . . . . 0.0 109.41 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.01 99.65 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.642 ' HZ2' ' HZ2' ' A' ' 18' ' ' TRP . 29.4 mmtp -62.0 -40.08 94.42 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 122.434 -0.45 . . . . 0.0 109.84 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.586 ' O ' HD13 ' A' ' 30' ' ' LEU . 76.4 t -61.15 -46.76 96.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.081 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -62.15 -43.22 99.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -59.39 -45.47 91.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.558 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.424 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.7 m95 -66.32 -39.64 89.42 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 119.381 -0.928 . . . . 0.0 110.339 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.1 mp -63.01 -42.86 99.94 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.323 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.88 -43.75 94.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 t -60.6 -42.43 96.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.734 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 102.64 2.63 49.96 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -50.15 179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.319 . . . . 0.0 110.453 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.9 p -103.6 154.06 19.92 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.083 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.516 ' CD1' HD23 ' A' ' 4' ' ' LEU . 8.3 m-85 -59.83 -41.15 90.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.45 -50.35 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.615 0.721 . . . . 0.0 110.592 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.623 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.4 tt0 -58.95 -40.8 85.79 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.94 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.54 -43.97 98.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.296 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -68.19 -34.55 76.49 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 117.989 -1.484 . . . . 0.0 109.697 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -56.85 -49.11 76.44 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 108.799 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.623 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 31.6 m0 -59.95 -44.61 94.31 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.328 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 18' ' ' TRP . 94.5 mt -62.73 -45.26 99.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.444 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -36.41 78.15 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.6 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.3 t30 . . . . . 0 N--CA 1.452 -0.326 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.34 178.005 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.656 0.265 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.77 99.51 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -60.5 -45.05 95.23 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.237 0.542 . . . . 0.0 109.857 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.61 -43.76 95.94 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.46 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.79 -44.26 97.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.488 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -60.42 -45.39 93.78 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.891 0.376 . . . . 0.0 111.101 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.95 -42.23 99.75 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.956 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.1 tt -62.91 -43.84 97.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.384 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.13 -40.05 92.32 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.18 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 65.2 mmtt -71.69 -40.87 69.27 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.479 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.92 163.13 36.9 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.557 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -88.23 -36.35 16.8 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.479 0.657 . . . . 0.0 109.769 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.68 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.38 -43.06 99.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.359 0.599 . . . . 0.0 110.178 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -61.93 -44.98 95.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.592 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 17' ' ' ASN . 44.6 t-20 -61.1 -43.94 98.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.896 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -59.02 -46.18 88.85 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 123.574 0.546 . . . . 0.0 110.871 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.89 99.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.05 -44.09 93.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.8 t -61.55 -42.17 98.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.434 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -126.95 90.82 3.22 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.944 0.402 . . . . 0.0 110.541 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.7 -23.42 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 122.024 0.916 . . . . 0.0 109.896 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.21 -38.16 96.05 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 71.4 mmtt -63.22 -39.71 95.4 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 117.329 0.565 . . . . 0.0 109.997 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.68 -46.35 96.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.046 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -62.2 -44.21 97.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.481 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -57.19 -46.53 82.76 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.38 0.425 . . . . 0.0 111.574 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 6.2 m95 -67.12 -38.77 86.18 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 119.246 -0.982 . . . . 0.0 110.941 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 30' ' ' LEU . 33.9 mt -62.93 -42.24 99.74 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.67 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.45 -44.02 95.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.878 0.371 . . . . 0.0 110.012 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -62.42 -38.27 89.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.36 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.47 28.12 13.58 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.69 170.34 15.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.022 0.439 . . . . 0.0 110.967 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.9 p -88.21 149.27 23.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.438 ' CD1' HD23 ' A' ' 4' ' ' LEU . 35.9 m-85 -58.85 -41.97 88.23 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -63.66 -50.41 69.39 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.197 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.494 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 56.6 tt0 -58.84 -40.1 83.23 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.999 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.71 -44.25 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.172 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HZ3' ' HB3' ' A' ' 11' ' ' LYS . 51.6 pttt -67.15 -33.75 76.09 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 117.504 -1.678 . . . . 0.0 109.145 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.1 -49.7 75.06 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 124.564 1.165 . . . . 0.0 109.537 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 27.0 m0 -60.55 -43.17 97.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.221 0.534 . . . . 0.0 109.855 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.32 -46.15 97.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.254 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -35.83 77.3 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 121.721 -0.612 . . . . 0.0 111.016 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.5 t30 . . . . . 0 C--N 1.346 0.432 0 CA-C-N 118.139 0.427 . . . . 0.0 109.912 177.891 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.184 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -44.53 97.95 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.525 ' CD2' HG13 ' A' ' 26' ' ' VAL . 6.5 tp -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.48 -44.4 96.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.205 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -60.33 -44.07 95.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.147 0.498 . . . . 0.0 110.466 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.77 -45.96 92.32 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.196 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.22 -42.32 99.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.986 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -62.0 -45.01 95.49 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.84 0.353 . . . . 0.0 110.589 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -61.23 -40.33 93.61 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.651 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HD2' ' HZ3' ' A' ' 40' ' ' LYS . 66.7 mmtt -72.09 -40.77 67.99 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.248 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.34 166.53 39.32 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -88.15 -31.98 18.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.824 0.345 . . . . 0.0 110.418 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.76 95.83 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.319 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 33.6 mt -59.74 -44.06 93.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.035 0.445 . . . . 0.0 110.367 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.26 -46.09 91.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -61.8 -42.21 98.73 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.998 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -60.46 -45.29 94.24 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.075 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.29 97.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.247 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -64.61 -44.18 91.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.077 0.465 . . . . 0.0 110.689 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 p -61.92 -41.49 97.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.99 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -127.48 89.02 2.88 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.183 0.516 . . . . 0.0 110.939 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.12 -25.15 35.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.861 0.839 . . . . 0.0 109.418 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.28 98.94 Favored Glycine 0 C--O 1.22 -0.755 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 69.1 mmtt -62.03 -39.94 94.04 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 122.343 -0.504 . . . . 0.0 110.058 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG13 ' CD2' ' A' ' 4' ' ' LEU . 60.3 t -61.45 -46.81 95.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.993 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -62.1 -43.29 99.16 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.486 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.68 -46.26 89.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.515 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.7 m95 -65.16 -40.11 93.86 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.206 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 30' ' ' LEU . 39.3 mt -62.1 -43.84 97.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.718 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.57 -41.38 98.89 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.601 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 76.6 p -65.71 -23.53 66.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.932 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.96 25.18 56.46 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.721 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.57 169.6 13.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 0.0 110.75 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 p -91.17 151.28 21.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.049 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -59.77 -41.87 92.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.644 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.74 -51.09 66.47 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.901 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.598 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.7 tt0 -57.69 -41.11 80.99 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.959 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -64.51 -44.69 96.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.264 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HZ3' ' HD2' ' A' ' 11' ' ' LYS . 40.3 pttt -67.49 -32.98 74.17 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 117.368 -1.733 . . . . 0.0 109.158 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.39 -49.93 74.63 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 124.436 1.085 . . . . 0.0 109.601 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 35.3 m0 -59.42 -43.61 93.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.318 0.58 . . . . 0.0 109.603 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.73 -45.81 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.847 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -36.0 80.62 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.177 -178.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.6 t30 . . . . . 0 C--N 1.348 0.525 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.035 177.829 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.753 0.311 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.6 -43.03 99.82 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.768 HD13 ' C ' ' A' ' 4' ' ' LEU . 1.7 tm? -61.61 -42.31 98.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.38 -44.07 95.78 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.776 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -43.9 94.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.095 0.474 . . . . 0.0 110.063 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.654 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 56.8 t80 -60.55 -46.5 89.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.121 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 15' ' ' LEU . 28.0 mt -61.4 -42.02 98.07 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.041 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.52 -45.02 94.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.749 0.309 . . . . 0.0 111.566 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 t -60.75 -39.41 88.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.18 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.654 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 40.1 mmtm -72.26 -42.68 65.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.492 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.62 164.51 37.99 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -88.65 -32.99 17.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.36 82.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.163 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.558 ' HB3' HD22 ' A' ' 8' ' ' LEU . 9.9 mt -61.71 -40.35 94.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -60.76 -46.72 89.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.558 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.93 -42.31 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.019 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.425 ' CD1' HD13 ' A' ' 43' ' ' ILE . 20.0 t-105 -58.66 -47.29 84.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.74 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.44 98.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.655 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -63.81 -44.51 93.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.9 t -62.25 -42.24 99.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.716 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -120.37 87.18 2.7 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.918 0.389 . . . . 0.0 110.055 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.57 -23.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.927 0.87 . . . . 0.0 109.789 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.48 -40.74 99.48 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 69.9 mmtt -61.09 -40.45 93.78 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.535 ' O ' HD23 ' A' ' 30' ' ' LEU . 53.7 t -60.94 -47.17 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.946 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -61.74 -43.03 99.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.308 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -58.5 -46.65 86.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.99 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.413 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.1 m95 -66.29 -38.62 88.19 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 119.105 -1.038 . . . . 0.0 110.721 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 26' ' ' VAL . 4.1 mm? -61.59 -43.12 99.46 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.275 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -63.29 -44.01 96.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.056 0.455 . . . . 0.0 110.116 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.0 m -63.88 -37.11 86.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.16 15.5 44.47 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.4 155.6 34.92 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.81 0.338 . . . . 0.0 110.139 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.6 p -84.58 161.58 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.723 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -59.56 -40.11 86.23 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.817 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.79 -47.71 79.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.284 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.475 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 52.3 tt0 -61.46 -39.71 91.85 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.764 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.78 -45.17 97.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 123.621 0.576 . . . . 0.0 111.112 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HB2' HD13 ' A' ' 15' ' ' LEU . 59.4 pttt -67.69 -34.69 77.4 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 117.566 -1.654 . . . . 0.0 110.178 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -57.22 -48.79 77.93 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 124.901 1.375 . . . . 0.0 109.646 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.475 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 21.8 m0 -61.93 -43.01 99.72 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 123.787 0.679 . . . . 0.0 110.378 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.425 HD13 ' CD1' ' A' ' 18' ' ' TRP . 88.4 mt -62.66 -45.81 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.378 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -36.24 78.55 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.93 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.0 t30 . . . . . 0 C--N 1.343 0.316 0 CA-C-N 118.098 0.408 . . . . 0.0 110.328 177.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.148 0 CA-C-O 120.634 0.254 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.54 -43.66 99.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -59.76 -45.43 92.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 5' ' ' LEU . 96.2 mt -62.36 -43.7 98.21 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.691 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -61.6 -42.91 99.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.862 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.465 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 70.9 t80 -62.56 -44.86 95.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.969 0.414 . . . . 0.0 110.449 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 15' ' ' LEU . 21.1 mt -61.94 -42.71 99.42 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.853 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.7 tt -63.27 -44.76 94.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.722 0.296 . . . . 0.0 110.775 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 m -60.2 -40.08 88.83 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.905 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -71.87 -42.69 66.56 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.802 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.47 167.61 40.04 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -90.41 -31.02 17.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.982 0.42 . . . . 0.0 110.936 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.69 98.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.345 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.494 ' HB3' HD22 ' A' ' 8' ' ' LEU . 44.1 mt -59.61 -44.21 93.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.399 0.618 . . . . 0.0 110.741 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -61.01 -45.24 95.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.59 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.0 -42.88 99.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.459 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.43 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 10.2 t-105 -59.4 -45.6 91.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.87 98.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.23 -44.82 90.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.19 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -61.25 -42.96 99.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.29 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -124.11 89.12 3.03 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.937 0.398 . . . . 0.0 110.666 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.32 -23.62 32.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 122.133 0.968 . . . . 0.0 109.887 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.58 -39.55 98.01 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.1 mmtt -62.52 -38.8 91.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.285 -0.538 . . . . 0.0 109.783 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.31 -46.52 96.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.713 0.768 . . . . 0.0 109.928 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -62.28 -42.76 99.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.477 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -59.13 -44.97 92.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.041 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.5 m95 -66.4 -39.15 88.84 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.93 -43.57 98.57 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.486 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -62.46 -43.95 97.58 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.6 p -69.26 -29.42 67.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.55 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.57 19.59 56.24 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.62 151.71 44.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.607 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 p -80.19 161.42 25.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.568 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 36' ' ' TYR . 2.1 m-85 -60.51 -41.9 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.416 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.99 -49.71 76.35 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.375 0.422 . . . . 0.0 111.455 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.512 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 52.8 tt0 -62.0 -38.59 89.16 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.135 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.0 -44.54 97.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 O-C-N 123.508 0.505 . . . . 0.0 110.95 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -66.79 -36.33 82.15 Favored 'General case' 0 C--O 1.204 -1.298 0 C-N-CA 118.062 -1.455 . . . . 0.0 109.581 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -56.82 -49.97 73.79 Favored 'General case' 0 C--N 1.344 0.34 0 O-C-N 125.149 1.53 . . . . 0.0 109.627 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 23.7 m0 -61.33 -43.74 98.37 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.031 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.6 -45.83 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.201 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' OE1' ' C ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -65.6 -37.12 85.73 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.004 -178.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 . . . . . 0 C--N 1.352 0.691 0 CA-C-N 118.568 0.622 . . . . 0.0 110.444 178.147 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 121.013 0.435 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.81 -41.29 99.61 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.512 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.6 tm? -60.3 -44.69 95.19 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.36 -43.83 96.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.929 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -60.52 -43.75 96.78 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.361 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.698 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 73.3 t80 -59.93 -46.19 90.19 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.43 0.456 . . . . 0.0 110.373 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 15' ' ' LEU . 23.0 mt -62.58 -41.81 99.17 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.614 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.08 -43.81 97.49 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.291 0.369 . . . . 0.0 111.131 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 t -61.28 -39.43 90.37 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.093 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.698 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 41.1 mmtm -71.99 -43.45 65.1 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.325 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.5 155.09 25.78 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -76.56 -33.59 58.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.972 0.891 . . . . 0.0 109.674 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.39 97.39 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.428 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' A' ' 8' ' ' LEU . 25.6 mt -61.78 -41.94 98.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.367 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.86 -45.21 94.79 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.7 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -61.18 -43.38 98.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.976 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.432 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 49.9 t-105 -60.78 -44.57 96.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.751 0.31 . . . . 0.0 111.025 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.86 98.45 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.802 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.6 -43.63 93.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.443 ' HG ' ' CE1' ' A' ' 22' ' ' HIS . 10.8 t -62.55 -42.15 99.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.973 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.443 ' CE1' ' HG ' ' A' ' 21' ' ' SER . 74.5 m80 -125.47 86.48 2.55 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.456 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.21 -23.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 122.22 1.009 . . . . 0.0 109.364 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.1 -40.47 98.14 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 23.7 mmtp -61.4 -41.17 96.7 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 122.004 -0.704 . . . . 0.0 110.25 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.583 ' O ' HD13 ' A' ' 30' ' ' LEU . 60.6 t -60.42 -46.87 94.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.138 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.43 -43.99 97.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.557 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.44 -45.84 90.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.938 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 15.8 m95 -65.93 -39.37 90.46 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.574 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.5 mp -63.35 -43.37 97.88 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.123 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.12 -43.46 98.37 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.442 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.3 t -61.93 -41.88 98.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.383 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.85 11.28 23.08 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 151.56 45.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 p -85.31 161.17 19.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.908 0.385 . . . . 0.0 110.786 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.512 ' CD1' HD23 ' A' ' 4' ' ' LEU . 4.7 m-85 -61.47 -40.02 93.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.559 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.47 -51.44 65.59 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 53.4 tt0 -58.72 -39.35 80.57 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.427 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.403 HG21 ' CD1' ' A' ' 29' ' ' TRP . 29.7 mt -66.27 -43.1 91.82 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.703 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -66.6 -34.79 78.67 Favored 'General case' 0 CA--C 1.492 -1.287 0 C-N-CA 117.379 -1.728 . . . . 0.0 108.792 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.82 -49.64 75.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 124.809 1.318 . . . . 0.0 109.497 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 26.5 m0 -60.9 -43.38 98.61 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.994 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.5 -45.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.298 -178.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -36.44 78.62 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.679 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 m120 . . . . . 0 N--CA 1.45 -0.437 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.228 178.275 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.928 0.394 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.94 -39.21 97.09 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.51 -45.14 94.91 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.087 0.47 . . . . 0.0 109.94 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.98 -42.55 97.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.816 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.55 -44.13 96.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.348 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.93 -45.15 95.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.192 0.52 . . . . 0.0 110.607 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.6 mt -62.54 -40.8 97.97 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.441 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.81 -45.29 90.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.992 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -59.34 -39.94 84.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -71.41 -43.01 67.58 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.54 166.35 39.61 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -88.06 -31.13 19.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.239 0.543 . . . . 0.0 110.221 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.87 98.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.613 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.83 -43.07 98.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.193 0.52 . . . . 0.0 110.122 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -62.15 -45.53 93.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.685 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.08 -42.55 98.71 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.506 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -61.17 -45.02 96.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.458 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.03 98.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.592 0.558 . . . . 0.0 110.308 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -63.23 -45.06 93.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.266 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.0 m -61.77 -41.53 97.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.931 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -125.15 86.21 2.52 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.189 0.519 . . . . 0.0 110.79 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.436 ' H ' HG23 ' A' ' 23' ' ' VAL . 2.1 t -65.82 -24.79 34.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.649 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.12 -39.63 97.89 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.4 mmtt -62.3 -39.85 94.37 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.42 ' O ' HD23 ' A' ' 30' ' ' LEU . 57.1 t -62.08 -45.91 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.195 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -62.43 -43.57 98.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.181 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.77 -45.61 89.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.609 0.568 . . . . 0.0 111.179 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 9.8 m95 -67.0 -38.31 85.78 Favored 'General case' 0 C--O 1.227 -0.091 0 C-N-CA 118.78 -1.168 . . . . 0.0 110.733 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 26' ' ' VAL . 1.6 mm? -61.54 -43.24 99.22 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.299 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.12 -43.48 98.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.022 0.439 . . . . 0.0 109.842 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 40.2 t -63.22 -43.33 98.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.734 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 97.33 5.57 57.98 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -48.18 176.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 0.0 110.434 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.8 p -97.59 156.13 16.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.541 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.77 -42.69 93.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -61.22 -51.71 67.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.477 0.656 . . . . 0.0 110.791 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.514 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.9 tt0 -58.56 -40.54 83.35 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.966 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.79 -44.79 98.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 O-C-N 123.181 0.301 . . . . 0.0 111.227 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -67.31 -34.16 76.78 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 117.724 -1.59 . . . . 0.0 109.834 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.62 -48.81 78.4 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 124.558 1.161 . . . . 0.0 109.393 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.514 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 20.1 m0 -60.97 -43.22 99.1 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.659 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.21 -46.71 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.496 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -36.05 77.8 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 119.762 -0.775 . . . . 0.0 111.185 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.429 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 24.2 t-20 . . . . . 0 C--N 1.342 0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.123 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.219 0.533 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.97 99.71 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.52 ' CD2' HG13 ' A' ' 26' ' ' VAL . 6.9 tp -61.43 -44.58 96.88 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.43 -43.56 98.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.188 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -60.17 -45.48 92.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.153 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.09 -45.57 90.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.295 0.569 . . . . 0.0 110.917 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.88 -42.31 99.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.749 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -62.44 -43.25 99.27 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.969 0.793 . . . . 0.0 109.813 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.6 t -63.02 -40.22 97.11 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.94 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HD2' ' HZ3' ' A' ' 40' ' ' LYS . 66.9 mmtt -72.39 -41.57 66.17 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.656 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.87 153.57 19.98 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.358 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -74.93 -34.24 62.08 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.68 92.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.935 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.99 -42.71 98.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.547 0.689 . . . . 0.0 110.266 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -61.9 -46.29 90.03 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.584 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -60.54 -42.84 97.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.876 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -59.77 -45.94 90.72 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.37 0.419 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.76 99.56 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.237 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.59 -44.97 94.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.633 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -61.05 -42.1 97.84 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.018 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -128.61 90.99 3.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.728 0.299 . . . . 0.0 110.788 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.45 -23.41 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.848 0.832 . . . . 0.0 109.473 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.78 99.78 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.3 mmtt -61.05 -39.69 90.78 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' CD2' ' A' ' 4' ' ' LEU . 55.0 t -61.42 -47.34 93.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.66 0.743 . . . . 0.0 110.782 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -62.51 -43.48 98.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.334 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -58.54 -45.96 87.83 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 123.617 0.573 . . . . 0.0 111.119 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.5 m95 -66.39 -39.05 88.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.985 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 30' ' ' LEU . 37.3 mt -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.366 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -61.97 -43.05 99.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.033 0.444 . . . . 0.0 110.122 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.3 m -60.49 -39.41 87.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.764 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.69 14.47 49.83 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.09 -167.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.939 0.399 . . . . 0.0 110.479 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.9 p -112.89 148.79 34.2 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -58.64 -42.94 89.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.468 0.48 . . . . 0.0 110.655 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -62.06 -51.16 69.09 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.429 0.633 . . . . 0.0 110.67 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.401 ' HG2' ' CE2' ' A' ' 42' ' ' TRP . 58.4 tt0 -57.95 -41.27 82.48 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.989 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.44 -44.41 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.341 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HZ3' ' HD2' ' A' ' 11' ' ' LYS . 41.5 pttt -67.29 -33.39 75.2 Favored 'General case' 0 C--O 1.211 -0.959 0 C-N-CA 117.326 -1.749 . . . . 0.0 108.942 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -57.66 -48.76 78.61 Favored 'General case' 0 CA--C 1.513 -0.476 0 O-C-N 124.233 0.958 . . . . 0.0 109.859 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CE2' ' HG2' ' A' ' 38' ' ' GLN . 26.5 m0 -60.27 -43.18 96.4 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.825 0.703 . . . . 0.0 109.572 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.69 -46.33 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.338 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -35.99 80.56 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.381 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 33.6 t30 . . . . . 0 CA--C 1.535 0.401 0 CA-C-N 118.143 0.429 . . . . 0.0 110.269 177.778 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.561 0.22 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.95 99.67 Favored Glycine 0 C--O 1.227 -0.316 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.447 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -59.82 -45.94 90.8 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.056 -0.572 . . . . 0.0 109.823 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.4 -43.54 97.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -59.16 -44.61 92.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.466 . . . . 0.0 110.337 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.402 ' CZ ' ' HE2' ' A' ' 11' ' ' LYS . 69.4 t80 -61.03 -45.92 92.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 15' ' ' LEU . 19.2 mt -61.72 -41.12 97.2 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.201 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.93 -46.2 88.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.9 m -59.47 -39.13 82.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.361 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HE2' ' CZ ' ' A' ' 7' ' ' PHE . 64.8 mmtt -71.41 -44.28 65.19 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.16 159.05 32.3 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -80.76 -33.19 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.361 0.6 . . . . 0.0 109.784 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.28 96.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.128 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.5 mt -61.38 -43.25 99.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.252 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.67 -45.31 94.63 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.266 0.555 . . . . 0.0 110.547 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -61.34 -43.78 98.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.079 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.512 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 12.6 t-105 -59.51 -45.62 91.18 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.564 0.54 . . . . 0.0 110.421 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -63.69 -44.31 94.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.687 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.8 m -60.97 -42.46 98.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.609 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -124.33 89.68 3.12 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 110.671 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.81 -25.28 32.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.787 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.4 -39.28 97.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HZ2' ' HZ2' ' A' ' 18' ' ' TRP . 28.5 mmtp -63.22 -39.75 95.53 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.287 -0.537 . . . . 0.0 109.933 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.17 -46.83 95.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.761 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -61.42 -44.3 97.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.448 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -58.02 -45.68 86.52 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.443 0.464 . . . . 0.0 110.953 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -66.93 -39.59 87.37 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.787 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.09 -43.44 98.89 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.276 -0.569 . . . . 0.0 109.76 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.94 -44.97 95.66 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.14 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -63.14 -35.28 79.76 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.825 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.99 8.45 66.98 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.52 177.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.998 0.428 . . . . 0.0 110.569 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 p -99.74 157.09 16.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.958 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.447 ' CD1' HD23 ' A' ' 4' ' ' LEU . 6.3 m-85 -60.78 -40.29 92.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -61.79 -51.81 66.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.963 0.887 . . . . 0.0 110.796 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.627 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 32.1 tt0 -58.9 -41.26 86.77 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.13 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.08 -43.9 99.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.257 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -67.98 -34.76 77.15 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 117.811 -1.555 . . . . 0.0 110.159 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.67 -48.66 78.88 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 125.229 1.581 . . . . 0.0 108.788 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 38' ' ' GLN . 31.0 m0 -60.81 -43.85 97.64 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.132 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.1 mt -62.26 -47.06 94.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.323 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -35.45 79.15 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.94 -178.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.419 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 50.1 t-20 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.465 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.745 0.307 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.06 99.64 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 36' ' ' TYR . 2.5 tm? -60.2 -45.21 93.95 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.396 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.87 -43.46 96.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.141 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -59.21 -44.92 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.941 0.401 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -59.62 -46.04 90.15 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.536 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' A' ' 15' ' ' LEU . 42.7 mt -63.14 -41.52 99.3 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.239 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.9 tt -63.04 -43.42 98.72 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.292 0.37 . . . . 0.0 110.682 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -62.81 -39.57 94.68 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.784 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -71.61 -42.37 67.77 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.901 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.43 164.09 37.39 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -87.65 -32.13 19.41 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.303 0.573 . . . . 0.0 110.236 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.66 99.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.323 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.539 ' HB3' HD22 ' A' ' 8' ' ' LEU . 37.8 mt -61.52 -42.18 98.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.216 0.531 . . . . 0.0 110.31 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -62.46 -45.1 94.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.361 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -60.43 -43.63 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.829 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -59.94 -46.35 89.67 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.595 0.559 . . . . 0.0 111.119 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.38 98.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.924 0.392 . . . . 0.0 110.908 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.32 -44.8 90.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.774 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -60.9 -42.12 97.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.325 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -128.88 87.35 2.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.136 0.493 . . . . 0.0 111.152 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.05 -23.84 34.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 122.597 1.189 . . . . 0.0 109.576 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.58 -39.77 97.96 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.7 mmtt -61.37 -40.56 94.76 Favored 'General case' 0 C--O 1.249 1.053 0 O-C-N 122.31 -0.524 . . . . 0.0 110.184 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.97 -46.21 97.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 O-C-N 124.137 0.898 . . . . 0.0 110.331 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -62.39 -43.65 98.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.448 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.14 -45.31 91.3 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.348 0.405 . . . . 0.0 111.382 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.7 m95 -66.58 -39.02 88.25 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.796 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 30' ' ' LEU . 94.6 mt -62.43 -42.13 99.22 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.59 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.9 -43.27 99.25 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -61.38 -42.22 98.37 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.172 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 102.74 1.01 49.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -46.58 177.18 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.779 0.324 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 p -99.92 150.58 22.26 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.043 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.466 ' CD1' HD23 ' A' ' 4' ' ' LEU . 41.6 m-85 -58.57 -40.85 84.26 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.403 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.5 -50.81 68.16 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.324 0.583 . . . . 0.0 110.94 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.59 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.5 tt0 -58.62 -40.78 84.27 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 121.61 -0.681 . . . . 0.0 111.128 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.38 -43.58 97.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.409 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -68.51 -33.56 74.34 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 117.585 -1.646 . . . . 0.0 109.638 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -56.67 -49.29 75.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 124.638 1.212 . . . . 0.0 109.206 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 33.3 m0 -59.89 -45.08 93.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.404 0.621 . . . . 0.0 109.829 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.99 -45.55 98.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.369 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -35.88 80.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.618 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 C--O 1.234 0.274 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.072 178.058 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.89 0.376 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.49 99.83 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.38 -44.24 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.19 -43.78 98.07 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.332 0.395 . . . . 0.0 110.456 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -59.67 -45.21 92.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 36' ' ' TYR . 55.7 t80 -60.36 -46.8 88.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.442 0.639 . . . . 0.0 110.595 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.6 -42.76 97.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.505 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.35 -44.68 90.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.412 . . . . 0.0 111.655 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.9 m -60.58 -39.32 87.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.148 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -72.01 -43.25 65.34 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.181 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.27 149.89 14.38 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -74.13 -33.83 63.67 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 122.221 1.01 . . . . 0.0 108.969 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.49 98.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.482 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 29.9 mt -60.34 -44.39 95.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.401 0.619 . . . . 0.0 110.459 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.27 -44.94 96.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.138 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -62.09 -43.71 98.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.538 ' CG ' HG23 ' A' ' 43' ' ' ILE . 23.6 t-105 -59.19 -44.82 92.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.592 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.08 99.52 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.564 0.54 . . . . 0.0 110.381 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.28 -43.7 97.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.894 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 t -63.69 -42.72 97.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.25 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -129.87 86.26 2.39 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 110.774 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.431 HG12 ' NE1' ' A' ' 27' ' ' TRP . 2.4 t -69.41 -25.05 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.065 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.49 -48.04 87.92 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.041 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 22.7 mmtp -62.46 -36.7 83.29 Favored 'General case' 0 C--O 1.257 1.499 0 CA-C-O 121.757 0.789 . . . . 0.0 110.653 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.6 -44.6 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.332 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.431 ' NE1' HG12 ' A' ' 23' ' ' VAL . 55.0 m95 -58.64 -42.08 87.5 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.271 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -52.27 -52.71 51.15 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.595 1.185 . . . . 0.0 111.156 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.2 m-90 -71.83 -33.86 68.82 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 118.271 -1.372 . . . . 0.0 112.398 -177.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.62 -42.53 99.02 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.996 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.5 -42.89 91.6 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.45 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.0 p -68.64 -32.6 72.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.657 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.51 30.93 14.41 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.43 155.95 38.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.258 0.551 . . . . 0.0 110.656 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.2 p -65.3 140.41 58.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.494 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.4 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 36.7 m-85 -58.13 -39.59 79.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.993 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HA ' ' HZ3' ' A' ' 40' ' ' LYS . 97.2 mt-10 -62.86 -48.08 80.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.877 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.544 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.0 tt0 -60.61 -39.19 87.27 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.147 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.9 -47.75 91.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 O-C-N 123.83 0.707 . . . . 0.0 111.154 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 18.8 pttm -66.6 -34.38 77.75 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 117.375 -1.73 . . . . 0.0 109.689 178.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -57.3 -49.7 75.27 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.28 0.988 . . . . 0.0 109.921 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.544 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 20.9 m0 -62.78 -40.67 98.04 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.116 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.538 HG23 ' CG ' ' A' ' 18' ' ' TRP . 89.1 mt -63.24 -45.36 98.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.444 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -36.85 81.65 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.021 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.248 177.746 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.86 -41.34 99.89 Favored Glycine 0 CA--C 1.518 0.219 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.757 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.3 tm? -62.08 -42.41 99.18 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.852 0.358 . . . . 0.0 110.686 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.65 -43.85 95.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.504 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.68 -43.73 97.35 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.574 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.92 -46.25 89.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.129 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 15' ' ' LEU . 26.6 mt -62.08 -42.61 99.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.693 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.3 tt -62.77 -43.5 98.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.443 0.464 . . . . 0.0 110.679 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 t -61.55 -40.12 93.55 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.413 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -71.95 -42.38 66.66 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.736 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.22 164.51 38.06 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -91.34 -32.7 15.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.941 0.401 . . . . 0.0 111.241 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.62 96.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.277 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' HB3' HD22 ' A' ' 8' ' ' LEU . 12.9 mt -61.19 -42.11 98.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 110.391 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.63 -45.76 92.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.153 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -61.31 -43.24 99.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.921 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.506 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 27.5 t-105 -58.83 -46.83 86.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.706 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.02 -42.69 99.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.875 0.369 . . . . 0.0 110.47 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.53 -44.48 96.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.742 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -62.92 -42.45 99.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.45 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -124.09 86.27 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.753 0.311 . . . . 0.0 110.679 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -65.95 -25.79 36.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 122.276 1.036 . . . . 0.0 109.919 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.52 -40.41 97.73 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HZ2' ' HZ2' ' A' ' 18' ' ' TRP . 29.5 mmtp -63.28 -39.27 94.1 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 121.765 -0.844 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.599 ' O ' HD13 ' A' ' 30' ' ' LEU . 77.4 t -61.93 -45.63 98.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.012 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -62.32 -43.51 98.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.28 -45.43 91.26 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.464 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.9 m95 -66.44 -39.6 88.97 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.766 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.5 mp -62.92 -42.57 99.84 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.223 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -61.29 -43.29 99.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -60.23 -44.13 95.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.11 15.35 30.92 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.76 -176.88 0.13 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.441 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 p -102.78 153.43 20.17 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.437 ' CD1' HD23 ' A' ' 4' ' ' LEU . 18.4 m-85 -59.34 -43.27 92.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.481 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.51 -50.41 72.81 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 121.637 0.732 . . . . 0.0 111.023 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.433 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 56.1 tt0 -59.42 -40.81 87.9 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.396 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.16 -43.96 97.47 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.935 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -67.85 -33.87 75.61 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 117.795 -1.562 . . . . 0.0 109.745 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -57.04 -49.7 75.0 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 124.886 1.366 . . . . 0.0 108.748 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.433 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 24.0 m0 -59.62 -43.7 93.7 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.866 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 18' ' ' TRP . 96.2 mt -62.75 -46.97 95.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.793 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.48 78.27 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.005 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 . . . . . 0 C--N 1.351 0.669 0 CA-C-O 121.325 0.583 . . . . 0.0 110.044 177.698 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.22 0 CA-C-O 120.526 0.203 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.08 -39.76 98.4 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.8 tm? -60.18 -46.18 90.57 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 124.148 0.557 . . . . 0.0 109.592 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.37 -43.64 97.05 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.612 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.9 -44.5 94.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.827 0.346 . . . . 0.0 110.489 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 15' ' ' LEU . 16.4 mt -63.44 -42.22 98.68 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.361 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.2 tt -63.0 -43.74 97.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.305 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.9 m -59.82 -40.08 87.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.779 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -71.95 -42.4 66.64 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.936 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.23 165.83 38.44 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -91.5 -31.72 15.85 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.268 0.556 . . . . 0.0 110.203 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.41 98.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' A' ' 8' ' ' LEU . 19.8 mt -61.22 -42.66 98.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.234 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -61.17 -46.17 91.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.245 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.07 -43.44 98.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.418 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -59.1 -46.77 87.45 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.743 0.652 . . . . 0.0 110.366 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.65 97.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.677 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.36 -44.58 94.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.8 m -60.95 -41.94 97.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.297 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -127.64 91.07 3.22 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.863 0.363 . . . . 0.0 110.623 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 m -68.84 -24.18 28.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.884 0.85 . . . . 0.0 109.345 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.95 99.71 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 39.8 mmtm -61.51 -39.73 92.06 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 122.512 -0.405 . . . . 0.0 109.976 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.8 -46.9 95.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.914 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -62.72 -43.19 99.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.162 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -57.44 -47.53 81.56 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.802 0.689 . . . . 0.0 111.436 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 14.1 m95 -66.81 -38.62 86.82 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.005 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 30' ' ' LEU . 87.9 mt -63.18 -41.94 99.28 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.474 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.39 -42.7 98.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.922 0.391 . . . . 0.0 110.436 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -66.95 -21.57 65.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.632 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.9 19.07 63.94 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.65 157.07 28.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.401 . . . . 0.0 110.974 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.3 p -82.75 149.77 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.757 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.456 ' CD1' HD23 ' A' ' 4' ' ' LEU . 30.2 m-85 -59.97 -41.36 91.8 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.735 0.647 . . . . 0.0 110.935 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -64.21 -50.28 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.886 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 53.2 tt0 -58.85 -41.05 86.06 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.166 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.62 -44.14 98.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 O-C-N 123.402 0.439 . . . . 0.0 111.565 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -68.43 -33.74 74.75 Favored 'General case' 0 CA--C 1.499 -1.005 0 C-N-CA 117.41 -1.716 . . . . 0.0 109.452 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -56.99 -49.93 74.26 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 124.799 1.312 . . . . 0.0 109.137 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 24.0 m0 -59.71 -43.88 93.95 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.957 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.28 -45.8 97.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.525 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -36.32 79.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.576 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.7 t30 . . . . . 0 CA--C 1.533 0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 177.803 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.208 0 CA-C-O 120.749 0.309 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.28 -42.95 98.96 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 36' ' ' TYR . 2.3 tm? -59.49 -46.16 89.62 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.796 0.331 . . . . 0.0 110.314 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.55 -43.77 97.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.381 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -59.27 -45.28 91.66 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.078 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -59.89 -45.59 92.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.528 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 15' ' ' LEU . 38.5 mt -62.83 -42.2 99.63 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.223 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.4 tt -62.62 -44.2 96.9 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.402 0.439 . . . . 0.0 110.711 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -61.07 -40.44 93.68 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.646 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -71.36 -42.8 68.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.225 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.87 161.93 35.72 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -84.44 -32.67 23.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.213 0.53 . . . . 0.0 110.575 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.14 96.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.383 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.504 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.1 mt -61.37 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 110.593 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -61.38 -45.02 96.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.593 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.64 -43.21 99.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.225 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -59.77 -45.76 91.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.5 97.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.61 -44.32 90.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.067 0.461 . . . . 0.0 110.443 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -61.38 -42.03 98.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.531 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -128.62 89.32 2.87 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.005 0.431 . . . . 0.0 110.81 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.95 -25.7 36.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.704 0.764 . . . . 0.0 109.319 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.2 -41.84 99.72 Favored Glycine 0 C--O 1.219 -0.825 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.4 mmtt -59.94 -41.53 92.02 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 122.334 -0.51 . . . . 0.0 110.079 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.06 -46.32 96.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 123.912 0.757 . . . . 0.0 110.269 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -62.72 -43.68 98.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.758 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -58.51 -46.4 86.81 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.719 0.637 . . . . 0.0 110.814 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.47 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.5 m95 -66.05 -39.53 90.19 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 30' ' ' LEU . 38.9 mt -61.81 -42.79 99.46 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.465 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.3 -42.57 99.47 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 t -61.91 -42.41 99.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.192 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.57 8.13 52.72 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.31 -178.2 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.309 . . . . 0.0 110.399 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.6 p -102.24 149.35 24.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.014 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.467 ' CD1' HD23 ' A' ' 4' ' ' LEU . 34.8 m-85 -58.73 -43.26 90.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.639 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HA ' ' HZ3' ' A' ' 40' ' ' LYS . 7.1 pt-20 -62.03 -49.17 77.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.31 0.576 . . . . 0.0 111.16 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.571 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 33.0 tt0 -59.07 -41.67 88.53 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.924 -0.485 . . . . 0.0 111.266 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.27 -44.19 97.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 123.56 0.538 . . . . 0.0 110.943 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 15.3 pttm -68.19 -34.02 75.51 Favored 'General case' 0 C--O 1.209 -1.054 0 C-N-CA 117.396 -1.722 . . . . 0.0 110.029 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -56.92 -48.79 77.43 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.795 1.309 . . . . 0.0 108.962 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.571 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 29.8 m0 -59.83 -44.77 93.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.514 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.28 -45.69 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.165 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -36.28 81.57 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.845 -178.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.422 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 43.9 t-20 . . . . . 0 CA--C 1.534 0.351 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.301 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.93 0.395 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.61 -41.98 99.68 Favored Glycine 0 N--CA 1.464 0.535 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.441 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.6 tm? -60.31 -45.32 93.79 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.62 -43.27 97.34 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.832 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -43.98 93.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.939 0.4 . . . . 0.0 110.386 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.408 ' CZ ' ' HE2' ' A' ' 11' ' ' LYS . 65.6 t80 -61.0 -45.58 94.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.708 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.99 -41.38 97.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.416 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.7 tp -64.19 -45.19 89.44 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.483 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -59.82 -39.65 85.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.037 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HE2' ' CZ ' ' A' ' 7' ' ' PHE . 65.4 mmtt -72.36 -43.52 63.89 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.783 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.92 150.04 15.71 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.558 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.38 -34.41 61.11 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 121.64 0.733 . . . . 0.0 109.205 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.45 97.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.845 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 33.3 mt -61.47 -43.65 98.49 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.394 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -61.97 -44.68 96.24 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.204 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.05 -43.67 98.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.264 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -60.08 -44.97 94.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.551 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.94 99.48 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.43 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -63.13 -44.19 96.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.816 0.341 . . . . 0.0 110.959 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.8 m -60.7 -43.17 98.1 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.756 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -130.11 88.04 2.6 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.5 m -69.58 -27.69 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.542 0.687 . . . . 0.0 109.88 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.25 -46.72 93.89 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.615 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 66.6 mmtt -61.09 -35.75 77.84 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 121.488 -1.007 . . . . 0.0 110.908 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.08 -44.69 91.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-O 121.701 0.762 . . . . 0.0 109.65 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.91 -41.82 96.85 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.07 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -52.69 -51.78 58.8 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.949 1.406 . . . . 0.0 110.675 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.615 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.8 m-90 -72.9 -33.06 65.78 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 117.474 -1.691 . . . . 0.0 111.926 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 30' ' ' LEU . 35.8 mt -59.2 -43.89 92.25 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.469 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.98 -44.35 85.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.888 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -59.4 -21.71 60.34 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.76 13.95 61.94 Favored Glycine 0 N--CA 1.468 0.821 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.68 152.61 43.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.157 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -76.02 153.27 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.535 0.683 . . . . 0.0 111.136 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.441 ' CD1' HD23 ' A' ' 4' ' ' LEU . 28.6 m-85 -60.07 -36.77 78.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.621 0.724 . . . . 0.0 109.885 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.0 -49.46 70.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.562 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.543 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.2 tt0 -59.33 -39.72 84.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.098 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.33 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 O-C-N 123.919 0.762 . . . . 0.0 111.616 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -67.71 -34.4 76.8 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 117.653 -1.619 . . . . 0.0 109.714 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -57.5 -50.62 72.46 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.68 1.237 . . . . 0.0 109.8 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.543 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 18.4 m0 -62.23 -40.58 96.61 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.281 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.59 -46.71 95.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -36.51 80.55 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 120.066 -0.654 . . . . 0.0 111.181 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.354 178.353 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 120.743 0.306 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.27 -40.84 99.16 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 110.185 -1.166 . . . . 0.0 110.185 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.774 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.5 tm? -61.89 -45.11 95.16 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.118 0.485 . . . . 0.0 110.779 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.49 -43.96 97.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.117 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -59.27 -45.24 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.86 -45.79 91.36 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.887 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 15' ' ' LEU . 25.8 mt -62.35 -42.41 99.37 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.218 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.704 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.5 tt -63.06 -44.83 94.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.598 0.561 . . . . 0.0 110.58 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -60.21 -40.19 89.25 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.992 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HE3' ' HZ2' ' A' ' 40' ' ' LYS . 66.0 mmtt -72.1 -42.25 66.32 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.49 164.33 37.94 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -90.3 -31.79 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 111.149 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.4 86.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.66 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.597 ' HB3' HD22 ' A' ' 8' ' ' LEU . 9.8 mt -61.64 -41.23 97.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.162 0.506 . . . . 0.0 109.785 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.93 -47.54 85.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.69 -42.88 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.889 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -59.82 -46.72 88.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.814 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.21 96.42 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.418 0.449 . . . . 0.0 110.333 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.63 -45.05 88.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.67 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.0 t -61.38 -43.14 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.586 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -122.98 88.93 3.02 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.945 0.403 . . . . 0.0 110.398 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.72 -24.03 32.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.343 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.17 -42.72 99.73 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.515 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 2.4 mptm? -61.63 -40.21 94.04 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.785 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.586 ' O ' HD13 ' A' ' 30' ' ' LEU . 70.9 t -60.97 -47.0 95.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 O-C-N 123.912 0.757 . . . . 0.0 109.984 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -62.86 -42.82 99.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.005 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.24 -45.32 91.46 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.984 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.4 m95 -66.93 -38.35 86.0 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 119.134 -1.026 . . . . 0.0 110.507 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.6 mp -62.97 -42.73 99.92 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.357 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.12 -42.75 99.54 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.559 -0.457 . . . . 0.0 109.793 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 m -60.52 -39.6 88.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.94 0.4 . . . . 0.0 110.731 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.34 10.38 55.89 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.28 -178.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.2 p -102.89 153.3 20.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.048 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.437 ' CD1' HD23 ' A' ' 4' ' ' LEU . 21.0 m-85 -59.08 -42.79 91.28 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.454 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -61.91 -52.3 64.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.852 0.834 . . . . 0.0 110.829 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.612 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 34.0 tt0 -57.51 -40.73 79.34 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.61 -45.05 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.405 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HZ2' ' HE3' ' A' ' 11' ' ' LYS . 15.2 pttm -67.45 -33.84 75.95 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.199 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -57.16 -49.15 76.87 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 124.767 1.292 . . . . 0.0 109.102 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.612 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 36.0 m0 -60.28 -44.29 95.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.466 0.651 . . . . 0.0 110.233 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.5 mt -62.12 -46.35 96.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.368 -177.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -36.55 78.65 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.569 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.426 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 49.2 t-20 . . . . . 0 C--O 1.237 0.4 0 CA-C-N 118.42 0.555 . . . . 0.0 110.643 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 120.893 0.377 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.02 -42.05 99.71 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -59.72 -45.48 92.04 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.024 0.44 . . . . 0.0 109.877 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.84 -42.81 97.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.449 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -60.3 -43.89 95.89 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -60.2 -45.43 93.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.225 0.536 . . . . 0.0 111.06 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.62 -42.29 99.5 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.208 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.2 tt -63.29 -44.2 95.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.523 0.514 . . . . 0.0 110.687 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.9 t -61.4 -40.15 93.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 120.984 -0.287 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -71.82 -41.97 67.58 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.067 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.11 160.74 34.32 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.757 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -86.76 -32.67 20.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.311 0.577 . . . . 0.0 109.716 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.36 97.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.047 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 25.0 mt -61.37 -41.94 97.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.98 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -62.04 -44.91 95.69 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.425 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -61.54 -43.28 99.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.939 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -59.05 -46.4 88.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.705 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.37 97.1 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.866 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -64.16 -43.94 93.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.174 0.512 . . . . 0.0 110.7 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.1 m -62.81 -41.65 99.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.743 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -133.04 86.29 2.29 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.568 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.2 m -68.46 -26.92 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.376 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.06 -48.54 85.6 Favored Glycine 0 C--O 1.218 -0.866 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.857 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 66.4 mmtt -60.84 -36.73 79.85 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.742 -0.858 . . . . 0.0 110.899 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.419 ' O ' HD23 ' A' ' 30' ' ' LEU . 78.4 t -65.18 -45.15 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.637 0.732 . . . . 0.0 109.147 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -59.73 -42.81 93.99 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.42 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -53.59 -50.26 66.0 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 124.801 1.313 . . . . 0.0 110.803 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.619 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 6.8 m-90 -73.26 -33.63 65.37 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 117.435 -1.706 . . . . 0.0 111.772 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 26' ' ' VAL . 1.9 mm? -60.06 -44.0 95.03 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.645 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -65.92 -43.03 89.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 110.431 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 m -58.74 -39.23 80.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.969 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.6 15.61 20.27 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.483 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 29' ' ' TRP . . . -64.98 153.51 40.4 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.247 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -72.13 151.95 42.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.506 0.67 . . . . 0.0 110.671 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.451 ' CD1' HD23 ' A' ' 4' ' ' LEU . 31.6 m-85 -61.1 -36.77 80.56 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.432 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -64.9 -47.27 78.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.666 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.53 ' CD ' ' CH2' ' A' ' 42' ' ' TRP . 51.9 tt0 -60.74 -39.55 89.1 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.223 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.08 -47.52 92.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -66.65 -34.62 78.27 Favored 'General case' 0 CA--C 1.495 -1.166 0 C-N-CA 117.34 -1.744 . . . . 0.0 110.2 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -58.02 -49.17 77.77 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 124.897 1.373 . . . . 0.0 110.145 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.53 ' CH2' ' CD ' ' A' ' 38' ' ' GLN . 18.3 m0 -63.34 -40.69 98.0 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.284 -0.967 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.61 -46.45 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.12 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -36.0 78.47 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 118.589 -0.72 . . . . 0.0 110.682 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 . . . . . 0 C--N 1.351 0.639 0 CA-C-N 118.708 0.685 . . . . 0.0 110.386 177.552 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.216 0 CA-C-O 121.084 0.469 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.59 99.55 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -60.25 -45.54 92.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.853 0.358 . . . . 0.0 110.185 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.32 -43.49 97.66 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.482 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -60.39 -44.36 95.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -60.18 -45.26 93.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.152 0.501 . . . . 0.0 110.443 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 15' ' ' LEU . 17.4 mt -62.68 -42.19 99.49 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.209 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.4 tt -63.21 -43.46 98.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.338 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.1 m -61.66 -39.83 92.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.049 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -71.44 -42.69 67.89 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.512 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.24 163.15 36.65 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.621 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.674 ' NH2' HD21 ' A' ' 17' ' ' ASN . 77.9 ttt-85 -88.51 -31.92 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.988 0.423 . . . . 0.0 110.513 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.69 97.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.725 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.473 ' HB3' HD22 ' A' ' 8' ' ' LEU . 32.0 mt -60.92 -42.56 98.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.191 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.22 -45.31 95.09 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.104 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.674 HD21 ' NH2' ' A' ' 13' ' ' ARG . 90.0 m-20 -61.82 -43.53 98.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.458 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -58.48 -46.43 86.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.13 99.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.587 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.35 -44.93 95.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.654 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.4 t -61.91 -42.92 99.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.816 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -134.86 88.78 2.46 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.811 0.339 . . . . 0.0 110.959 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.45 -26.99 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.185 0.516 . . . . 0.0 110.78 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.92 -44.54 98.01 Favored Glycine 0 C--O 1.216 -1.005 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 23.2 mmtp -62.27 -37.68 86.43 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 117.26 0.53 . . . . 0.0 111.219 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.7 t -66.68 -44.35 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -58.1 -44.5 87.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.444 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -52.38 -51.2 60.23 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 124.723 1.264 . . . . 0.0 111.073 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.3 m-90 -74.25 -32.9 63.14 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 117.729 -1.588 . . . . 0.0 112.271 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.52 -43.78 93.33 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.336 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.37 -43.78 93.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.8 m -59.73 -41.01 89.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.68 15.72 11.79 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' A' ' 29' ' ' TRP . . . -65.47 151.21 46.9 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.055 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 p -75.43 156.16 35.6 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 111.129 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.436 ' CD1' HD23 ' A' ' 4' ' ' LEU . 32.3 m-85 -61.1 -41.21 96.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.38 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.44 -48.84 77.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.016 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.662 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 39.7 tt0 -58.93 -41.76 88.11 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.69 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.66 -46.59 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 O-C-N 123.887 0.742 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -68.2 -34.28 75.97 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 117.02 -1.872 . . . . 0.0 110.664 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -58.11 -48.02 81.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.338 1.024 . . . . 0.0 109.488 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.662 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 48.1 m0 -62.12 -42.64 99.43 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.04 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.02 -44.83 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -35.52 79.06 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.403 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.8 t30 . . . . . 0 C--N 1.343 0.289 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.877 177.348 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 121.287 0.565 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.95 -43.08 99.44 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.762 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.7 tm? -59.71 -44.57 93.66 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.02 -44.1 96.89 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.67 0.606 . . . . 0.0 110.46 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -59.4 -44.64 92.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.961 0.41 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.466 ' CE2' ' NZ ' ' A' ' 11' ' ' LYS . 73.7 t80 -60.57 -46.86 88.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.879 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 15' ' ' LEU . 35.6 mt -62.08 -41.18 97.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.317 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.05 -44.71 95.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.745 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.0 p -62.13 -37.31 84.68 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.305 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' NZ ' ' CE2' ' A' ' 7' ' ' PHE . 41.4 mmtm -72.88 -43.06 62.98 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.1 160.9 34.71 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -86.28 -32.22 21.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.192 0.52 . . . . 0.0 110.625 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.18 99.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.919 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HB3' HD22 ' A' ' 8' ' ' LEU . 13.6 mt -63.11 -40.67 98.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.0 110.027 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -61.67 -46.32 90.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.161 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.87 -42.56 98.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.403 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.521 ' CD1' HD13 ' A' ' 43' ' ' ILE . 23.3 t-105 -59.92 -46.98 87.65 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.53 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.69 97.79 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.26 -45.14 89.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.732 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.0 p -62.4 -41.6 98.79 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.919 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -127.06 86.69 2.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.289 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.01 -24.08 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.946 0.879 . . . . 0.0 109.503 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.51 -40.26 98.88 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 28.0 mmtp -62.5 -39.98 95.26 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 122.328 -0.513 . . . . 0.0 110.354 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.83 -46.32 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 O-C-N 124.095 0.872 . . . . 0.0 109.623 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -62.2 -43.56 98.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.878 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 28' ' ' GLU . 8.0 tm-20 -59.02 -45.1 91.55 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.558 0.536 . . . . 0.0 111.465 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 13.8 m95 -67.7 -38.86 84.21 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 118.811 -1.156 . . . . 0.0 110.27 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 30' ' ' LEU . 93.2 mt -62.34 -43.26 99.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.395 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.33 -43.98 97.97 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.249 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.5 p -63.48 -31.23 72.33 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.28 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.44 26.63 29.8 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.02 171.44 13.47 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 p -89.39 151.6 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.589 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.49 ' CD1' HD23 ' A' ' 4' ' ' LEU . 30.6 m-85 -61.05 -40.05 92.15 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.231 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HA ' ' HZ3' ' A' ' 40' ' ' LYS . 83.2 tt0 -63.97 -52.62 58.8 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.453 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 57.6 tt0 -56.89 -40.75 76.8 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.176 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -65.05 -45.02 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.427 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 16.2 pttm -68.01 -33.1 73.97 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 117.696 -1.602 . . . . 0.0 109.152 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -57.48 -49.65 75.59 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 124.611 1.194 . . . . 0.0 108.618 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.453 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 25.4 m0 -59.32 -44.11 92.6 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.843 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.521 HD13 ' CD1' ' A' ' 18' ' ' TRP . 96.3 mt -62.15 -47.4 93.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.624 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -35.97 79.75 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.696 -178.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 . . . . . 0 CA--C 1.535 0.369 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.627 178.269 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.497 ' C ' ' O1 ' ' A' ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.87 97.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.527 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.414 ' N ' ' O1 ' ' A' ' 1' ' ' FME . . . -61.41 -43.2 99.64 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.457 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.8 tm? -59.5 -45.3 92.11 Favored 'General case' 0 C--O 1.238 0.457 0 O-C-N 124.155 0.562 . . . . 0.0 109.527 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.5 mt -63.5 -43.69 96.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.72 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -60.38 -43.39 96.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.361 . . . . 0.0 110.651 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.33 -45.8 92.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.17 0.509 . . . . 0.0 110.353 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.2 mt -62.1 -40.48 96.02 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 119.634 -0.827 . . . . 0.0 110.5 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.6 tp -64.07 -44.63 91.81 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.884 0.373 . . . . 0.0 110.901 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.9 p -60.87 -38.31 85.18 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.179 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -72.5 -43.95 62.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.953 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.99 158.48 31.4 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.51 -33.61 25.5 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.372 0.606 . . . . 0.0 109.809 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.93 98.72 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.26 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.57 -42.35 98.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.894 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -62.38 -45.15 94.47 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.56 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.17 -43.43 98.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.311 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 t-105 -60.46 -44.17 96.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.036 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.88 99.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.389 . . . . 0.0 110.686 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.02 -44.37 92.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.563 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 t -61.72 -42.36 98.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.528 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -125.66 87.6 2.72 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.065 0.46 . . . . 0.0 110.882 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.3 m -65.8 -25.43 36.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.995 0.902 . . . . 0.0 109.04 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.35 -42.14 99.7 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.206 -1.158 . . . . 0.0 110.206 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 68.9 mmtt -61.02 -40.32 93.14 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.896 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.98 -46.46 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 O-C-N 124.014 0.821 . . . . 0.0 109.79 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -62.51 -44.27 96.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.652 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.3 -45.77 87.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.3 m95 -66.43 -39.28 88.84 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 119.496 -0.882 . . . . 0.0 110.754 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 30' ' ' LEU . 84.6 mt -63.12 -42.14 99.47 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.375 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.6 -43.54 98.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -61.2 -37.82 84.35 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.434 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 95.92 6.28 59.32 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -50.9 -175.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.105 0.478 . . . . 0.0 110.645 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.8 p -107.17 150.72 26.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.287 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.457 ' CD1' HD23 ' A' ' 4' ' ' LEU . 31.2 m-85 -57.99 -41.84 83.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.65 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.68 -50.63 70.39 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.646 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.59 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 32.3 tt0 -58.5 -41.16 84.74 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.135 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -64.27 -44.57 97.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.232 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -67.33 -34.42 77.29 Favored 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 117.473 -1.691 . . . . 0.0 109.615 178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -56.92 -49.62 75.06 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 124.611 1.195 . . . . 0.0 108.911 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CH2' ' NE2' ' A' ' 38' ' ' GLN . 34.6 m0 -58.61 -44.28 89.87 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.308 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.61 -46.45 96.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.731 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -35.55 77.23 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 119.697 -0.801 . . . . 0.0 110.729 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -63.24 -42.57 99.23 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.647 177.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.38 96.62 Favored 'General case' 0 C--N 1.338 0.103 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 47' ' ' LEU . 4.2 tt -60.02 -44.71 94.43 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.714 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.02 -42.09 99.73 Favored Glycine 0 C--N 1.336 0.583 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 39.8 m0 -62.45 -39.8 94.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.691 0.282 . . . . 0.0 110.611 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.744 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.73 94.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.689 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.05 -41.95 99.71 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.473 -1.051 . . . . 0.0 110.473 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.766 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.4 tm? -61.22 -44.17 97.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.96 -44.05 97.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.71 0.291 . . . . 0.0 110.286 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -60.33 -44.82 95.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.284 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -60.06 -45.49 92.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 15' ' ' LEU . 26.9 mt -63.01 -42.18 99.76 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.442 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.701 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.5 tt -62.67 -43.96 97.46 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.676 0.274 . . . . 0.0 110.444 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.4 t -60.87 -40.95 94.91 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.922 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -71.47 -42.06 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.87 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.61 160.54 33.72 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -85.26 -33.14 22.23 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.239 0.542 . . . . 0.0 110.391 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.53 85.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.816 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HB3' HD22 ' A' ' 8' ' ' LEU . 11.8 mt -61.4 -41.05 96.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.259 0.552 . . . . 0.0 110.332 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -60.58 -46.18 91.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.8 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -61.54 -41.3 97.16 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.965 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.642 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 45.5 t-105 -58.96 -47.72 84.11 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.929 0.768 . . . . 0.0 110.611 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.7 98.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.625 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -64.16 -44.91 90.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.5 p -62.81 -40.58 97.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.498 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -124.96 86.4 2.55 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.007 0.432 . . . . 0.0 110.629 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.5 m -66.44 -24.89 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.426 0.631 . . . . 0.0 109.41 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.01 99.65 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.415 -1.074 . . . . 0.0 110.415 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.642 ' HZ2' ' HZ2' ' A' ' 18' ' ' TRP . 29.4 mmtp -62.0 -40.08 94.42 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 122.434 -0.45 . . . . 0.0 109.84 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.586 ' O ' HD13 ' A' ' 30' ' ' LEU . 76.4 t -61.15 -46.76 96.0 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.081 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -62.15 -43.22 99.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.427 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -59.39 -45.47 91.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.558 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.424 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.7 m95 -66.32 -39.64 89.42 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 119.381 -0.928 . . . . 0.0 110.339 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.1 mp -63.01 -42.86 99.94 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.323 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -59.88 -43.75 94.57 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 t -60.6 -42.43 96.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.734 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 102.64 2.63 49.96 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -50.15 179.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.769 0.319 . . . . 0.0 110.453 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 47.9 p -103.6 154.06 19.92 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.083 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.516 ' CD1' HD23 ' A' ' 4' ' ' LEU . 8.3 m-85 -59.83 -41.15 90.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.45 -50.35 70.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.615 0.721 . . . . 0.0 110.592 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.623 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.4 tt0 -58.95 -40.8 85.79 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.94 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.54 -43.97 98.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.296 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.3 pttt -68.19 -34.55 76.49 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 117.989 -1.484 . . . . 0.0 109.697 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -56.85 -49.11 76.44 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 124.576 1.173 . . . . 0.0 108.799 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.623 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 31.6 m0 -59.95 -44.61 94.31 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.328 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 18' ' ' TRP . 94.5 mt -62.73 -45.26 99.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.444 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -36.41 78.15 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.6 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -63.07 -42.08 99.58 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.34 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.82 97.75 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.06 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.9 tt -60.15 -43.7 95.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.462 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.22 -42.59 97.85 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -61.43 -41.61 97.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.309 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.85 179.937 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.09 -41.85 97.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.535 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.45 -40.77 99.51 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -60.5 -45.05 95.23 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.237 0.542 . . . . 0.0 109.857 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.61 -43.76 95.94 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.46 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.79 -44.26 97.05 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.488 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -60.42 -45.39 93.78 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.891 0.376 . . . . 0.0 111.101 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.95 -42.23 99.75 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.956 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.1 tt -62.91 -43.84 97.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.384 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.2 p -61.13 -40.05 92.32 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.18 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 65.2 mmtt -71.69 -40.87 69.27 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 120.302 -0.559 . . . . 0.0 111.479 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.92 163.13 36.9 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.557 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -88.23 -36.35 16.8 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.479 0.657 . . . . 0.0 109.769 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.68 99.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.672 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -61.38 -43.06 99.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.359 0.599 . . . . 0.0 110.178 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -61.93 -44.98 95.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.592 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.404 ' C ' ' OD1' ' A' ' 17' ' ' ASN . 44.6 t-20 -61.1 -43.94 98.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.896 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 54.5 t-105 -59.02 -46.18 88.85 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 123.574 0.546 . . . . 0.0 110.871 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.89 99.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -64.05 -44.09 93.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.8 t -61.55 -42.17 98.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.434 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -126.95 90.82 3.22 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.944 0.402 . . . . 0.0 110.541 -179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.7 -23.42 27.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 122.024 0.916 . . . . 0.0 109.896 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.21 -38.16 96.05 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 71.4 mmtt -63.22 -39.71 95.4 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 117.329 0.565 . . . . 0.0 109.997 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.68 -46.35 96.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.046 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -62.2 -44.21 97.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.481 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -57.19 -46.53 82.76 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 123.38 0.425 . . . . 0.0 111.574 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.482 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 6.2 m95 -67.12 -38.77 86.18 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 119.246 -0.982 . . . . 0.0 110.941 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 30' ' ' LEU . 33.9 mt -62.93 -42.24 99.74 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.67 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -63.45 -44.02 95.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.878 0.371 . . . . 0.0 110.012 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -62.42 -38.27 89.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.36 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.47 28.12 13.58 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.69 170.34 15.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.022 0.439 . . . . 0.0 110.967 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.9 p -88.21 149.27 23.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.127 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.438 ' CD1' HD23 ' A' ' 4' ' ' LEU . 35.9 m-85 -58.85 -41.97 88.23 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.222 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -63.66 -50.41 69.39 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.197 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.494 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 56.6 tt0 -58.84 -40.1 83.23 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.999 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.9 mt -64.71 -44.25 96.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.172 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HZ3' ' HB3' ' A' ' 11' ' ' LYS . 51.6 pttt -67.15 -33.75 76.09 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 117.504 -1.678 . . . . 0.0 109.145 177.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.1 -49.7 75.06 Favored 'General case' 0 C--O 1.216 -0.664 0 O-C-N 124.564 1.165 . . . . 0.0 109.537 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.494 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 27.0 m0 -60.55 -43.17 97.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.221 0.534 . . . . 0.0 109.855 179.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.32 -46.15 97.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.254 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.91 -35.83 77.3 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 121.721 -0.612 . . . . 0.0 111.016 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -63.11 -42.23 99.53 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 118.139 0.427 . . . . 0.0 109.912 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.42 -42.02 96.27 Favored 'General case' 0 C--N 1.338 0.1 0 CA-C-O 120.897 0.379 . . . . 0.0 110.147 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.5 tt -60.18 -44.62 94.93 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.574 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.92 -41.75 99.82 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 110.324 -1.111 . . . . 0.0 110.324 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 59.2 t-105 -63.0 -40.81 98.89 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-O 120.839 0.352 . . . . 0.0 110.339 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' LEU . 56.8 ttp180 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.141 -0.933 . . . . 0.0 111.054 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.455 ' O1 ' ' C ' ' A' ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.57 91.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.075 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.424 ' N ' ' O1 ' ' A' ' 1' ' ' FME . . . -61.32 -44.53 97.95 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.525 ' CD2' HG13 ' A' ' 26' ' ' VAL . 6.5 tp -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.48 -44.4 96.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.205 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -60.33 -44.07 95.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.147 0.498 . . . . 0.0 110.466 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -60.77 -45.96 92.32 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.196 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.6 mt -62.22 -42.32 99.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.986 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -62.0 -45.01 95.49 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.84 0.353 . . . . 0.0 110.589 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 m -61.23 -40.33 93.61 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.651 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HD2' ' HZ3' ' A' ' 40' ' ' LYS . 66.7 mmtt -72.09 -40.77 67.99 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.248 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.34 166.53 39.32 Favored Glycine 0 CA--C 1.52 0.396 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -88.15 -31.98 18.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.824 0.345 . . . . 0.0 110.418 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.76 95.83 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.319 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 33.6 mt -59.74 -44.06 93.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.035 0.445 . . . . 0.0 110.367 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -61.26 -46.09 91.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -61.8 -42.21 98.73 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.552 -0.459 . . . . 0.0 109.998 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 55.8 t-105 -60.46 -45.29 94.24 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.075 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.29 97.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.247 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -64.61 -44.18 91.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.077 0.465 . . . . 0.0 110.689 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 p -61.92 -41.49 97.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.99 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -127.48 89.02 2.88 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.183 0.516 . . . . 0.0 110.939 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.12 -25.15 35.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.861 0.839 . . . . 0.0 109.418 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.28 98.94 Favored Glycine 0 C--O 1.22 -0.755 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 69.1 mmtt -62.03 -39.94 94.04 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 122.343 -0.504 . . . . 0.0 110.058 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG13 ' CD2' ' A' ' 4' ' ' LEU . 60.3 t -61.45 -46.81 95.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.993 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -62.1 -43.29 99.16 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.486 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -59.68 -46.26 89.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.515 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.407 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.7 m95 -65.16 -40.11 93.86 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 119.612 -0.835 . . . . 0.0 110.206 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 30' ' ' LEU . 39.3 mt -62.1 -43.84 97.96 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.718 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.57 -41.38 98.89 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.601 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 76.6 p -65.71 -23.53 66.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.932 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.96 25.18 56.46 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.721 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.57 169.6 13.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.037 0.446 . . . . 0.0 110.75 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.3 p -91.17 151.28 21.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.049 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -59.77 -41.87 92.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.644 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.74 -51.09 66.47 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.901 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.598 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.7 tt0 -57.69 -41.11 80.99 Favored 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.959 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.9 mt -64.51 -44.69 96.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.264 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HZ3' ' HD2' ' A' ' 11' ' ' LYS . 40.3 pttt -67.49 -32.98 74.17 Favored 'General case' 0 CA--C 1.495 -1.144 0 C-N-CA 117.368 -1.733 . . . . 0.0 109.158 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -57.39 -49.93 74.63 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 124.436 1.085 . . . . 0.0 109.601 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 35.3 m0 -59.42 -43.61 93.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.318 0.58 . . . . 0.0 109.603 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.73 -45.81 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.847 -178.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -36.0 80.62 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 119.79 -0.764 . . . . 0.0 110.177 -178.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -62.56 -44.32 96.63 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.035 177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.94 99.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.505 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -58.01 -45.19 87.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.098 -179.331 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.64 -42.38 98.76 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 58.5 t-105 -64.28 -41.6 96.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.734 0.302 . . . . 0.0 110.531 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.083 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.57 99.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.6 -43.03 99.82 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.768 HD13 ' C ' ' A' ' 4' ' ' LEU . 1.7 tm? -61.61 -42.31 98.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.38 -44.07 95.78 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.776 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -43.9 94.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.095 0.474 . . . . 0.0 110.063 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.654 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 56.8 t80 -60.55 -46.5 89.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.121 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.558 HD22 ' HB3' ' A' ' 15' ' ' LEU . 28.0 mt -61.4 -42.02 98.07 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 119.984 -0.686 . . . . 0.0 110.041 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.7 tp -62.52 -45.02 94.91 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.749 0.309 . . . . 0.0 111.566 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 t -60.75 -39.41 88.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.18 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.654 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 40.1 mmtm -72.26 -42.68 65.33 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.492 -179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.62 164.51 37.99 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -88.65 -32.99 17.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.948 0.404 . . . . 0.0 110.829 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.36 82.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.163 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.558 ' HB3' HD22 ' A' ' 8' ' ' LEU . 9.9 mt -61.71 -40.35 94.74 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 -179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -60.76 -46.72 89.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.558 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.93 -42.31 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.019 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.425 ' CD1' HD13 ' A' ' 43' ' ' ILE . 20.0 t-105 -58.66 -47.29 84.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.74 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.44 98.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.655 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -63.81 -44.51 93.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.9 t -62.25 -42.24 99.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.716 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -120.37 87.18 2.7 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.918 0.389 . . . . 0.0 110.055 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.1 m -66.57 -23.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.927 0.87 . . . . 0.0 109.789 179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.48 -40.74 99.48 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 69.9 mmtt -61.09 -40.45 93.78 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.535 ' O ' HD23 ' A' ' 30' ' ' LEU . 53.7 t -60.94 -47.17 94.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.946 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -61.74 -43.03 99.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.308 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -58.5 -46.65 86.27 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.99 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.413 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.1 m95 -66.29 -38.62 88.19 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 119.105 -1.038 . . . . 0.0 110.721 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 26' ' ' VAL . 4.1 mm? -61.59 -43.12 99.46 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 119.925 -0.71 . . . . 0.0 110.275 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -63.29 -44.01 96.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.056 0.455 . . . . 0.0 110.116 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.0 m -63.88 -37.11 86.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.16 15.5 44.47 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.4 155.6 34.92 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.81 0.338 . . . . 0.0 110.139 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.6 p -84.58 161.58 20.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.977 0.418 . . . . 0.0 110.723 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 36' ' ' TYR . 1.0 OUTLIER -59.56 -40.11 86.23 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.817 -179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.79 -47.71 79.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.284 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 52.3 tt0 -61.46 -39.71 91.85 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.764 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.78 -45.17 97.95 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 123.621 0.576 . . . . 0.0 111.112 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HB2' HD13 ' A' ' 15' ' ' LEU . 59.4 pttt -67.69 -34.69 77.4 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 117.566 -1.654 . . . . 0.0 110.178 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -57.22 -48.79 77.93 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 124.901 1.375 . . . . 0.0 109.646 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.475 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 21.8 m0 -61.93 -43.01 99.72 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 123.787 0.679 . . . . 0.0 110.378 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.425 HD13 ' CD1' ' A' ' 18' ' ' TRP . 88.4 mt -62.66 -45.81 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.378 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -36.24 78.55 Favored 'General case' 0 N--CA 1.439 -0.982 0 C-N-CA 120.036 -0.666 . . . . 0.0 110.93 -178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -63.33 -42.63 98.99 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 118.098 0.408 . . . . 0.0 110.328 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 50' ' ' ARG . . . -65.13 -41.59 94.69 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 110.117 179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.656 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.8 tt -59.82 -45.11 93.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.125 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.26 -43.79 97.97 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.447 ' O ' ' C ' ' A' ' 50' ' ' ARG . 59.3 t-105 -78.77 -59.62 2.71 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.697 0.284 . . . . 0.0 110.625 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 46' ' ' ALA . 76.2 ttt180 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.022 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.52 92.88 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.764 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.54 -43.66 99.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.6 -1.0 . . . . 0.0 110.6 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -59.76 -45.43 92.27 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 5' ' ' LEU . 96.2 mt -62.36 -43.7 98.21 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.691 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -61.6 -42.91 99.54 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.862 -179.792 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' N ' ' HG3' ' A' ' 6' ' ' ARG . 70.9 t80 -62.56 -44.86 95.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.969 0.414 . . . . 0.0 110.449 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' A' ' 15' ' ' LEU . 21.1 mt -61.94 -42.71 99.42 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.853 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.639 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.7 tt -63.27 -44.76 94.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.722 0.296 . . . . 0.0 110.775 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 52.6 m -60.2 -40.08 88.83 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.905 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -71.87 -42.69 66.56 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.802 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.47 167.61 40.04 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.501 -1.039 . . . . 0.0 110.501 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -90.41 -31.02 17.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.982 0.42 . . . . 0.0 110.936 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.69 98.48 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.345 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.494 ' HB3' HD22 ' A' ' 8' ' ' LEU . 44.1 mt -59.61 -44.21 93.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.399 0.618 . . . . 0.0 110.741 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -61.01 -45.24 95.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.59 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.0 -42.88 99.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.459 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.43 ' CD1' ' C ' ' A' ' 18' ' ' TRP . 10.2 t-105 -59.4 -45.6 91.04 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.664 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.87 98.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.512 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.23 -44.82 90.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.19 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -61.25 -42.96 99.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.29 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -124.11 89.12 3.03 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.937 0.398 . . . . 0.0 110.666 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.8 m -66.32 -23.62 32.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 CA-C-O 122.133 0.968 . . . . 0.0 109.887 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.58 -39.55 98.01 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.1 mmtt -62.52 -38.8 91.39 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.285 -0.538 . . . . 0.0 109.783 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.31 -46.52 96.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.713 0.768 . . . . 0.0 109.928 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -62.28 -42.76 99.62 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.477 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -59.13 -44.97 92.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.041 -178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.426 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.5 m95 -66.4 -39.15 88.84 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 119.177 -1.009 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.93 -43.57 98.57 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.486 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -62.46 -43.95 97.58 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.6 p -69.26 -29.42 67.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.55 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.57 19.59 56.24 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.62 151.71 44.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.607 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.1 p -80.19 161.42 25.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.568 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' N ' ' CD1' ' A' ' 36' ' ' TYR . 2.1 m-85 -60.51 -41.9 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.416 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.99 -49.71 76.35 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.375 0.422 . . . . 0.0 111.455 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.512 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 52.8 tt0 -62.0 -38.59 89.16 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.135 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.0 -44.54 97.86 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 O-C-N 123.508 0.505 . . . . 0.0 110.95 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -66.79 -36.33 82.15 Favored 'General case' 0 C--O 1.204 -1.298 0 C-N-CA 118.062 -1.455 . . . . 0.0 109.581 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -56.82 -49.97 73.79 Favored 'General case' 0 C--N 1.344 0.34 0 O-C-N 125.149 1.53 . . . . 0.0 109.627 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.512 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 23.7 m0 -61.33 -43.74 98.37 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.031 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.6 -45.83 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 112.201 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' OE1' ' C ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -65.6 -37.12 85.73 Favored 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.004 -178.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.92 -43.37 98.98 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 118.568 0.622 . . . . 0.0 110.444 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -64.07 -42.42 96.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.903 0.382 . . . . 0.0 110.155 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -58.99 -44.17 91.6 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.08 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.17 -42.47 94.33 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.509 -0.637 . . . . 0.0 111.509 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.441 ' O ' ' O ' ' A' ' 46' ' ' ALA . 44.7 p-90 -144.9 156.91 44.25 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.3 ttt85 . . . . . 0 C--O 1.218 -0.562 0 CA-C-O 118.122 -0.942 . . . . 0.0 110.244 179.718 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.78 96.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.913 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.81 -41.29 99.61 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.512 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.6 tm? -60.3 -44.69 95.19 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.36 -43.83 96.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.929 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -60.52 -43.75 96.78 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.361 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.698 ' CZ ' ' NZ ' ' A' ' 11' ' ' LYS . 73.3 t80 -59.93 -46.19 90.19 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 123.43 0.456 . . . . 0.0 110.373 -178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 15' ' ' LEU . 23.0 mt -62.58 -41.81 99.17 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.814 -0.754 . . . . 0.0 110.614 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.08 -43.81 97.49 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.291 0.369 . . . . 0.0 111.131 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.9 t -61.28 -39.43 90.37 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.093 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.698 ' NZ ' ' CZ ' ' A' ' 7' ' ' PHE . 41.1 mmtm -71.99 -43.45 65.1 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.325 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.5 155.09 25.78 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -76.56 -33.59 58.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.972 0.891 . . . . 0.0 109.674 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.39 97.39 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.428 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' A' ' 8' ' ' LEU . 25.6 mt -61.78 -41.94 98.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.367 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.86 -45.21 94.79 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.7 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -61.18 -43.38 98.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.976 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.432 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 49.9 t-105 -60.78 -44.57 96.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.751 0.31 . . . . 0.0 111.025 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.86 98.45 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.802 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -64.6 -43.63 93.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.443 ' HG ' ' CE1' ' A' ' 22' ' ' HIS . 10.8 t -62.55 -42.15 99.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.973 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.443 ' CE1' ' HG ' ' A' ' 21' ' ' SER . 74.5 m80 -125.47 86.48 2.55 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.456 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.21 -23.93 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 122.22 1.009 . . . . 0.0 109.364 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.1 -40.47 98.14 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.379 -1.088 . . . . 0.0 110.379 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 23.7 mmtp -61.4 -41.17 96.7 Favored 'General case' 0 C--O 1.238 0.497 0 O-C-N 122.004 -0.704 . . . . 0.0 110.25 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.583 ' O ' HD13 ' A' ' 30' ' ' LEU . 60.6 t -60.42 -46.87 94.54 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.138 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.43 -43.99 97.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.78 -1.1 . . . . 0.0 110.557 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -59.44 -45.84 90.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.938 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 15.8 m95 -65.93 -39.37 90.46 Favored 'General case' 0 CA--C 1.519 -0.229 0 C-N-CA 119.796 -0.762 . . . . 0.0 110.574 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.583 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.5 mp -63.35 -43.37 97.88 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 119.939 -0.704 . . . . 0.0 110.123 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.12 -43.46 98.37 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.442 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.3 t -61.93 -41.88 98.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.383 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.85 11.28 23.08 Favored Glycine 0 N--CA 1.465 0.625 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.08 151.56 45.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.6 p -85.31 161.17 19.62 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.908 0.385 . . . . 0.0 110.786 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.512 ' CD1' HD23 ' A' ' 4' ' ' LEU . 4.7 m-85 -61.47 -40.02 93.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.559 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.47 -51.44 65.59 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 53.4 tt0 -58.72 -39.35 80.57 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.102 -0.639 . . . . 0.0 111.427 -179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.403 HG21 ' CD1' ' A' ' 29' ' ' TRP . 29.7 mt -66.27 -43.1 91.82 Favored 'Isoleucine or valine' 0 C--O 1.244 0.766 0 C-N-CA 120.349 -0.54 . . . . 0.0 111.703 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -66.6 -34.79 78.67 Favored 'General case' 0 CA--C 1.492 -1.287 0 C-N-CA 117.379 -1.728 . . . . 0.0 108.792 178.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -57.82 -49.64 75.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 O-C-N 124.809 1.318 . . . . 0.0 109.497 -178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 26.5 m0 -60.9 -43.38 98.61 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.994 178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.5 -45.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.298 -178.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.63 -36.44 78.62 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.679 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -62.79 -42.6 99.78 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.228 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.48 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -62.93 -41.95 99.65 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.836 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.5 tt -60.86 -43.76 97.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.545 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.48 -42.04 99.73 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.48 ' O ' ' O ' ' A' ' 46' ' ' ALA . 98.6 m95 -125.4 118.59 26.2 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.681 0.276 . . . . 0.0 110.454 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.632 179.859 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.04 99.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.928 0.394 . . . . 0.0 110.463 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.94 -39.21 97.09 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -60.51 -45.14 94.91 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.087 0.47 . . . . 0.0 109.94 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.98 -42.55 97.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.816 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.55 -44.13 96.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.018 0.437 . . . . 0.0 110.348 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.93 -45.15 95.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.192 0.52 . . . . 0.0 110.607 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.6 mt -62.54 -40.8 97.97 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.441 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.2 tp -63.81 -45.29 90.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.992 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -59.34 -39.94 84.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.454 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -71.41 -43.01 67.58 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.54 166.35 39.61 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -88.06 -31.13 19.42 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.239 0.543 . . . . 0.0 110.221 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.62 -41.87 98.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.613 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.83 -43.07 98.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.193 0.52 . . . . 0.0 110.122 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -62.15 -45.53 93.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.685 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -61.08 -42.55 98.71 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.506 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 17.8 t-105 -61.17 -45.02 96.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.458 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.03 98.91 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 123.592 0.558 . . . . 0.0 110.308 -179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -63.23 -45.06 93.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.266 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.0 m -61.77 -41.53 97.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.931 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -125.15 86.21 2.52 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.189 0.519 . . . . 0.0 110.79 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.436 ' H ' HG23 ' A' ' 23' ' ' VAL . 2.1 t -65.82 -24.79 34.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.649 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.12 -39.63 97.89 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.4 mmtt -62.3 -39.85 94.37 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.42 ' O ' HD23 ' A' ' 30' ' ' LEU . 57.1 t -62.08 -45.91 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.195 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -62.43 -43.57 98.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.181 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -58.77 -45.61 89.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 123.609 0.568 . . . . 0.0 111.179 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.437 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 9.8 m95 -67.0 -38.31 85.78 Favored 'General case' 0 C--O 1.227 -0.091 0 C-N-CA 118.78 -1.168 . . . . 0.0 110.733 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 26' ' ' VAL . 1.6 mm? -61.54 -43.24 99.22 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.299 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.12 -43.48 98.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.022 0.439 . . . . 0.0 109.842 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 40.2 t -63.22 -43.33 98.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.734 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 97.33 5.57 57.98 Favored Glycine 0 CA--C 1.528 0.849 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -48.18 176.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 0.0 110.434 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 48.8 p -97.59 156.13 16.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.541 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -59.77 -42.69 93.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.546 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -61.22 -51.71 67.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.477 0.656 . . . . 0.0 110.791 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.514 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.9 tt0 -58.56 -40.54 83.35 Favored 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.966 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.79 -44.79 98.34 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 O-C-N 123.181 0.301 . . . . 0.0 111.227 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -67.31 -34.16 76.78 Favored 'General case' 0 CA--C 1.5 -0.973 0 C-N-CA 117.724 -1.59 . . . . 0.0 109.834 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -57.62 -48.81 78.4 Favored 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 124.558 1.161 . . . . 0.0 109.393 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.514 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 20.1 m0 -60.97 -43.22 99.1 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.659 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 87.7 mt -62.21 -46.71 95.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.496 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -36.05 77.8 Favored 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 119.762 -0.775 . . . . 0.0 111.185 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.545 ' OD1' ' NE1' ' A' ' 49' ' ' TRP . 24.2 t-20 -63.1 -41.95 99.48 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-O 121.093 0.473 . . . . 0.0 110.123 178.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -65.08 -41.32 95.15 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.114 0.483 . . . . 0.0 110.238 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.6 tt -60.05 -45.19 93.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.322 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.31 -42.72 98.92 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.545 ' NE1' ' OD1' ' A' ' 45' ' ' ASN . 31.1 p90 -153.14 160.56 42.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.921 179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 117.872 -1.061 . . . . 0.0 109.952 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.75 95.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.219 0.533 . . . . 0.0 110.337 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.03 -41.97 99.71 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.52 ' CD2' HG13 ' A' ' 26' ' ' VAL . 6.9 tp -61.43 -44.58 96.88 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.43 -43.56 98.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.188 -179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -60.17 -45.48 92.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.153 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.09 -45.57 90.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.295 0.569 . . . . 0.0 110.917 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.88 -42.31 99.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.749 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -62.44 -43.25 99.27 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.969 0.793 . . . . 0.0 109.813 -179.371 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.6 t -63.02 -40.22 97.11 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.94 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HD2' ' HZ3' ' A' ' 40' ' ' LYS . 66.9 mmtt -72.39 -41.57 66.17 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.656 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.87 153.57 19.98 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 120.304 -0.95 . . . . 0.0 111.358 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -74.93 -34.24 62.08 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.68 92.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.935 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.99 -42.71 98.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.547 0.689 . . . . 0.0 110.266 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -61.9 -46.29 90.03 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.584 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -60.54 -42.84 97.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.876 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -59.77 -45.94 90.72 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.37 0.419 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.76 99.56 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.237 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.59 -44.97 94.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.633 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -61.05 -42.1 97.84 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.018 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -128.61 90.99 3.15 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.728 0.299 . . . . 0.0 110.788 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.45 -23.41 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.848 0.832 . . . . 0.0 109.473 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.78 99.78 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.781 -0.927 . . . . 0.0 110.781 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.3 mmtt -61.05 -39.69 90.78 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.52 HG13 ' CD2' ' A' ' 4' ' ' LEU . 55.0 t -61.42 -47.34 93.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 CA-C-O 121.66 0.743 . . . . 0.0 110.782 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -62.51 -43.48 98.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.334 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -58.54 -45.96 87.83 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 123.617 0.573 . . . . 0.0 111.119 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.457 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.5 m95 -66.39 -39.05 88.82 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.985 -179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 30' ' ' LEU . 37.3 mt -62.78 -42.11 99.55 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.366 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -61.97 -43.05 99.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.033 0.444 . . . . 0.0 110.122 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.3 m -60.49 -39.41 87.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.764 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.69 14.47 49.83 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.09 -167.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.939 0.399 . . . . 0.0 110.479 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.9 p -112.89 148.79 34.2 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -58.64 -42.94 89.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.468 0.48 . . . . 0.0 110.655 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -62.06 -51.16 69.09 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 121.429 0.633 . . . . 0.0 110.67 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.401 ' HG2' ' CE2' ' A' ' 42' ' ' TRP . 58.4 tt0 -57.95 -41.27 82.48 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.989 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.44 -44.41 97.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.341 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HZ3' ' HD2' ' A' ' 11' ' ' LYS . 41.5 pttt -67.29 -33.39 75.2 Favored 'General case' 0 C--O 1.211 -0.959 0 C-N-CA 117.326 -1.749 . . . . 0.0 108.942 178.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -57.66 -48.76 78.61 Favored 'General case' 0 CA--C 1.513 -0.476 0 O-C-N 124.233 0.958 . . . . 0.0 109.859 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' CE2' ' HG2' ' A' ' 38' ' ' GLN . 26.5 m0 -60.27 -43.18 96.4 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 123.825 0.703 . . . . 0.0 109.572 178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.69 -46.33 94.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.338 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.31 -35.99 80.56 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 119.467 -0.893 . . . . 0.0 110.381 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.512 ' OD1' ' NE1' ' A' ' 49' ' ' TRP . 33.6 t30 -62.19 -42.99 99.8 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.143 0.429 . . . . 0.0 110.269 177.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -65.53 -41.85 92.61 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.289 179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.11 -44.98 92.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.95 -179.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.95 -43.22 99.48 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.512 ' NE1' ' OD1' ' A' ' 45' ' ' ASN . 62.6 p-90 -153.41 158.5 41.53 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.737 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.501 179.574 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.45 ' SD ' HG11 ' A' ' 26' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.84 83.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.992 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.58 -41.95 99.67 Favored Glycine 0 C--O 1.227 -0.316 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.447 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -59.82 -45.94 90.8 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.056 -0.572 . . . . 0.0 109.823 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.4 -43.54 97.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.514 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -59.16 -44.61 92.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.466 . . . . 0.0 110.337 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.402 ' CZ ' ' HE2' ' A' ' 11' ' ' LYS . 69.4 t80 -61.03 -45.92 92.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 15' ' ' LEU . 19.2 mt -61.72 -41.12 97.2 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.201 -179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -62.93 -46.2 88.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.9 m -59.47 -39.13 82.7 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.361 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HE2' ' CZ ' ' A' ' 7' ' ' PHE . 64.8 mmtt -71.41 -44.28 65.19 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.16 159.05 32.3 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -80.76 -33.19 35.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.361 0.6 . . . . 0.0 109.784 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.28 96.93 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.128 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.5 mt -61.38 -43.25 99.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.252 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -60.67 -45.31 94.63 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.266 0.555 . . . . 0.0 110.547 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -61.34 -43.78 98.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.079 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.512 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 12.6 t-105 -59.51 -45.62 91.18 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.564 0.54 . . . . 0.0 110.421 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.799 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -63.69 -44.31 94.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.687 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.8 m -60.97 -42.46 98.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.609 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -124.33 89.68 3.12 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 120.951 0.405 . . . . 0.0 110.671 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.4 m -67.81 -25.28 32.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.787 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.4 -39.28 97.58 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HZ2' ' HZ2' ' A' ' 18' ' ' TRP . 28.5 mmtp -63.22 -39.75 95.53 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.287 -0.537 . . . . 0.0 109.933 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.45 HG11 ' SD ' ' A' ' 1' ' ' FME . 55.3 t -61.17 -46.83 95.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.761 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -61.42 -44.3 97.38 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.448 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -58.02 -45.68 86.52 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.443 0.464 . . . . 0.0 110.953 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -66.93 -39.59 87.37 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 119.762 -0.775 . . . . 0.0 110.787 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -61.09 -43.44 98.89 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.276 -0.569 . . . . 0.0 109.76 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.94 -44.97 95.66 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.823 0.344 . . . . 0.0 110.14 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.5 p -63.14 -35.28 79.76 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.825 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.99 8.45 66.98 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.52 177.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.998 0.428 . . . . 0.0 110.569 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.1 p -99.74 157.09 16.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.958 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.447 ' CD1' HD23 ' A' ' 4' ' ' LEU . 6.3 m-85 -60.78 -40.29 92.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.943 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -61.79 -51.81 66.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.963 0.887 . . . . 0.0 110.796 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.627 ' NE2' ' CH2' ' A' ' 42' ' ' TRP . 32.1 tt0 -58.9 -41.26 86.77 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.13 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.08 -43.9 99.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.257 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -67.98 -34.76 77.15 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 117.811 -1.555 . . . . 0.0 110.159 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.67 -48.66 78.88 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 125.229 1.581 . . . . 0.0 108.788 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 38' ' ' GLN . 31.0 m0 -60.81 -43.85 97.64 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.132 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.1 mt -62.26 -47.06 94.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.323 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.5 -35.45 79.15 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.445 -0.902 . . . . 0.0 110.94 -178.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.419 ' C ' ' OD1' ' A' ' 45' ' ' ASN . 50.1 t-20 -63.71 -42.75 97.9 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.465 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.89 -40.85 97.47 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.234 0.54 . . . . 0.0 110.171 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 47' ' ' LEU . 4.2 tt -59.77 -45.49 92.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.967 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.07 -41.96 99.68 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -160.04 126.45 4.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.693 0.282 . . . . 0.0 110.496 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 . . . . . 0 C--O 1.221 -0.403 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.475 -179.718 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.22 98.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.698 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.25 -43.06 99.64 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.734 -0.946 . . . . 0.0 110.734 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 36' ' ' TYR . 2.5 tm? -60.2 -45.21 93.95 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 115.279 -0.46 . . . . 0.0 110.396 -179.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.87 -43.46 96.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.141 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -59.21 -44.92 92.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.941 0.401 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -59.62 -46.04 90.15 Favored 'General case' 0 C--O 1.241 0.642 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.536 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.539 HD22 ' HB3' ' A' ' 15' ' ' LEU . 42.7 mt -63.14 -41.52 99.3 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.239 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.9 tt -63.04 -43.42 98.72 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.292 0.37 . . . . 0.0 110.682 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -62.81 -39.57 94.68 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.784 -179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -71.61 -42.37 67.77 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.901 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.43 164.09 37.39 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.064 -0.815 . . . . 0.0 111.064 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -87.65 -32.13 19.41 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 121.303 0.573 . . . . 0.0 110.236 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.64 -41.66 99.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.323 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.539 ' HB3' HD22 ' A' ' 8' ' ' LEU . 37.8 mt -61.52 -42.18 98.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.216 0.531 . . . . 0.0 110.31 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -62.46 -45.1 94.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.361 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -60.43 -43.63 96.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 109.829 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -59.94 -46.35 89.67 Favored 'General case' 0 C--N 1.329 -0.326 0 O-C-N 123.595 0.559 . . . . 0.0 111.119 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.38 98.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.924 0.392 . . . . 0.0 110.908 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.32 -44.8 90.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.774 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -60.9 -42.12 97.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.325 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -128.88 87.35 2.56 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.136 0.493 . . . . 0.0 111.152 -179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.05 -23.84 34.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 122.597 1.189 . . . . 0.0 109.576 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.58 -39.77 97.96 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.7 mmtt -61.37 -40.56 94.76 Favored 'General case' 0 C--O 1.249 1.053 0 O-C-N 122.31 -0.524 . . . . 0.0 110.184 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.97 -46.21 97.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 O-C-N 124.137 0.898 . . . . 0.0 110.331 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -62.39 -43.65 98.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.448 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -59.14 -45.31 91.3 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 123.348 0.405 . . . . 0.0 111.382 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.7 m95 -66.58 -39.02 88.25 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 118.959 -1.096 . . . . 0.0 110.796 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 30' ' ' LEU . 94.6 mt -62.43 -42.13 99.22 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.59 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -62.9 -43.27 99.25 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.5 t -61.38 -42.22 98.37 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.172 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 102.74 1.01 49.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 33' ' ' GLY . . . -46.58 177.18 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.779 0.324 . . . . 0.0 110.83 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 p -99.92 150.58 22.26 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.043 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.466 ' CD1' HD23 ' A' ' 4' ' ' LEU . 41.6 m-85 -58.57 -40.85 84.26 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.403 -178.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -63.5 -50.81 68.16 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.324 0.583 . . . . 0.0 110.94 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.59 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 32.5 tt0 -58.62 -40.78 84.27 Favored 'General case' 0 C--N 1.312 -1.052 0 O-C-N 121.61 -0.681 . . . . 0.0 111.128 -179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.1 mt -64.38 -43.58 97.06 Favored 'Isoleucine or valine' 0 C--O 1.243 0.759 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.409 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -68.51 -33.56 74.34 Favored 'General case' 0 CA--C 1.504 -0.82 0 C-N-CA 117.585 -1.646 . . . . 0.0 109.638 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -56.67 -49.29 75.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 124.638 1.212 . . . . 0.0 109.206 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.59 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 33.3 m0 -59.89 -45.08 93.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.404 0.621 . . . . 0.0 109.829 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.99 -45.55 98.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.369 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -35.88 80.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 119.282 -0.967 . . . . 0.0 110.618 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -63.03 -42.22 99.72 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.072 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.34 95.52 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -58.67 -45.37 89.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.743 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.01 -43.43 98.2 Favored Glycine 0 C--N 1.337 0.614 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.691 ' CD2' ' N ' ' A' ' 50' ' ' ARG . 57.7 p-90 -169.23 -62.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 119.754 -0.778 . . . . 0.0 112.668 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.691 ' N ' ' CD2' ' A' ' 49' ' ' TRP . 60.8 ttt85 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.581 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.4 99.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.807 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.72 -41.49 99.83 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.38 -44.24 97.49 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.19 -43.78 98.07 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.332 0.395 . . . . 0.0 110.456 -179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -59.67 -45.21 92.75 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CD1' ' HB3' ' A' ' 36' ' ' TYR . 55.7 t80 -60.36 -46.8 88.66 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.442 0.639 . . . . 0.0 110.595 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.6 -42.76 97.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.505 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.8 tp -64.35 -44.68 90.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.412 . . . . 0.0 111.655 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.9 m -60.58 -39.32 87.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.148 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -72.01 -43.25 65.34 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.323 -0.551 . . . . 0.0 111.181 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.27 149.89 14.38 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -74.13 -33.83 63.67 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 122.221 1.01 . . . . 0.0 108.969 178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.52 -42.49 98.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.395 -1.275 . . . . 0.0 110.482 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 29.9 mt -60.34 -44.39 95.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.401 0.619 . . . . 0.0 110.459 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -61.27 -44.94 96.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.138 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -62.09 -43.71 98.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.538 ' CG ' HG23 ' A' ' 43' ' ' ILE . 23.6 t-105 -59.19 -44.82 92.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.592 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.08 99.52 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.564 0.54 . . . . 0.0 110.381 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.28 -43.7 97.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.894 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.0 t -63.69 -42.72 97.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.25 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -129.87 86.26 2.39 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.142 0.496 . . . . 0.0 110.774 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.431 HG12 ' NE1' ' A' ' 27' ' ' TRP . 2.4 t -69.41 -25.05 28.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.065 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.49 -48.04 87.92 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 120.467 -0.873 . . . . 0.0 111.041 -178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 22.7 mmtp -62.46 -36.7 83.29 Favored 'General case' 0 C--O 1.257 1.499 0 CA-C-O 121.757 0.789 . . . . 0.0 110.653 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.7 t -64.6 -44.6 96.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.332 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.431 ' NE1' HG12 ' A' ' 23' ' ' VAL . 55.0 m95 -58.64 -42.08 87.5 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.271 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -52.27 -52.71 51.15 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 124.595 1.185 . . . . 0.0 111.156 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.2 m-90 -71.83 -33.86 68.82 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 118.271 -1.372 . . . . 0.0 112.398 -177.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.62 -42.53 99.02 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 119.697 -0.801 . . . . 0.0 109.996 178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.5 -42.89 91.6 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.45 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.0 p -68.64 -32.6 72.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.657 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.51 30.93 14.41 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.43 155.95 38.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.258 0.551 . . . . 0.0 110.656 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.2 p -65.3 140.41 58.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.494 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.4 ' HB3' ' CD1' ' A' ' 7' ' ' PHE . 36.7 m-85 -58.13 -39.59 79.14 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.993 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HA ' ' HZ3' ' A' ' 40' ' ' LYS . 97.2 mt-10 -62.86 -48.08 80.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.877 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.544 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.0 tt0 -60.61 -39.19 87.27 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.147 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.9 -47.75 91.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 O-C-N 123.83 0.707 . . . . 0.0 111.154 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 18.8 pttm -66.6 -34.38 77.75 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 117.375 -1.73 . . . . 0.0 109.689 178.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -57.3 -49.7 75.27 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 124.28 0.988 . . . . 0.0 109.921 -178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.544 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 20.9 m0 -62.78 -40.67 98.04 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 119.395 -0.922 . . . . 0.0 110.116 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.538 HG23 ' CG ' ' A' ' 18' ' ' TRP . 89.1 mt -63.24 -45.36 98.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.011 -0.541 . . . . 0.0 112.444 -179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -36.85 81.65 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 119.898 -0.721 . . . . 0.0 110.021 -179.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.98 -42.77 99.51 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 120.176 -0.61 . . . . 0.0 110.248 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -63.89 -42.54 97.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.53 -0.468 . . . . 0.0 109.967 179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.27 -44.69 92.42 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.083 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.02 -41.84 99.59 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.591 -1.003 . . . . 0.0 110.591 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.481 ' O ' ' O ' ' A' ' 46' ' ' ALA . 96.6 m95 -92.15 165.96 12.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.571 0.224 . . . . 0.0 110.648 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 49' ' ' TRP . 43.2 ttm180 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.577 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.69 95.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.279 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.86 -41.34 99.89 Favored Glycine 0 CA--C 1.518 0.219 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.757 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.3 tm? -62.08 -42.41 99.18 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 120.852 0.358 . . . . 0.0 110.686 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.65 -43.85 95.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.504 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.68 -43.73 97.35 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.574 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -59.92 -46.25 89.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.129 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 15' ' ' LEU . 26.6 mt -62.08 -42.61 99.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.693 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.3 tt -62.77 -43.5 98.63 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.443 0.464 . . . . 0.0 110.679 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 t -61.55 -40.12 93.55 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.413 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -71.95 -42.38 66.66 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.187 -0.605 . . . . 0.0 111.736 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.22 164.51 38.06 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -91.34 -32.7 15.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.941 0.401 . . . . 0.0 111.241 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.62 96.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.277 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' HB3' HD22 ' A' ' 8' ' ' LEU . 12.9 mt -61.19 -42.11 98.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 110.391 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -60.63 -45.76 92.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.153 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -61.31 -43.24 99.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.541 -0.464 . . . . 0.0 109.921 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.506 ' HZ2' ' HZ2' ' A' ' 25' ' ' LYS . 27.5 t-105 -58.83 -46.83 86.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.706 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.02 -42.69 99.44 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.875 0.369 . . . . 0.0 110.47 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.53 -44.48 96.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.742 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -62.92 -42.45 99.8 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.45 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -124.09 86.27 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.753 0.311 . . . . 0.0 110.679 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.3 m -65.95 -25.79 36.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 122.276 1.036 . . . . 0.0 109.919 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.52 -40.41 97.73 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.4 -1.08 . . . . 0.0 110.4 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HZ2' ' HZ2' ' A' ' 18' ' ' TRP . 29.5 mmtp -63.28 -39.27 94.1 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 121.765 -0.844 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.599 ' O ' HD13 ' A' ' 30' ' ' LEU . 77.4 t -61.93 -45.63 98.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.627 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.012 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -62.32 -43.51 98.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -59.28 -45.43 91.26 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.464 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.9 m95 -66.44 -39.6 88.97 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.766 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.5 mp -62.92 -42.57 99.84 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.425 -0.91 . . . . 0.0 110.223 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -61.29 -43.29 99.11 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.0 t -60.23 -44.13 95.46 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.11 15.35 30.92 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.76 -176.88 0.13 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.871 0.367 . . . . 0.0 110.441 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 70.3 p -102.78 153.43 20.17 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.437 ' CD1' HD23 ' A' ' 4' ' ' LEU . 18.4 m-85 -59.34 -43.27 92.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.481 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.51 -50.41 72.81 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-O 121.637 0.732 . . . . 0.0 111.023 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.433 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 56.1 tt0 -59.42 -40.81 87.9 Favored 'General case' 0 C--N 1.307 -1.25 0 C-N-CA 119.622 -0.831 . . . . 0.0 111.396 -178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.8 mt -64.16 -43.96 97.47 Favored 'Isoleucine or valine' 0 C--O 1.244 0.788 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.935 -178.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -67.85 -33.87 75.61 Favored 'General case' 0 C--O 1.211 -0.934 0 C-N-CA 117.795 -1.562 . . . . 0.0 109.745 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -57.04 -49.7 75.0 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 124.886 1.366 . . . . 0.0 108.748 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.433 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 24.0 m0 -59.62 -43.7 93.7 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.305 -0.558 . . . . 0.0 109.866 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.453 HD13 ' CD1' ' A' ' 18' ' ' TRP . 96.2 mt -62.75 -46.97 95.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.793 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -35.48 78.27 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 120.144 -0.622 . . . . 0.0 111.005 -178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -63.33 -42.83 98.99 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 121.325 0.583 . . . . 0.0 110.044 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.95 97.07 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.221 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.8 tt -59.43 -45.24 92.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.434 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.63 -41.53 99.8 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 62.2 t-105 -66.05 -41.2 91.17 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.017 0.436 . . . . 0.0 110.149 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.789 -1.101 . . . . 0.0 110.55 -179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.556 ' CN ' ' H ' ' A' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.556 ' H ' ' CN ' ' A' ' 1' ' ' FME . . . -62.93 -41.1 99.37 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.399 -179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.08 -39.76 98.4 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.233 -1.147 . . . . 0.0 110.233 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.8 tm? -60.18 -46.18 90.57 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 124.148 0.557 . . . . 0.0 109.592 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.37 -43.64 97.05 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.612 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.634 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.9 -44.5 94.22 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 120.827 0.346 . . . . 0.0 110.489 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 15' ' ' LEU . 16.4 mt -63.44 -42.22 98.68 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.361 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.2 tt -63.0 -43.74 97.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.305 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.9 m -59.82 -40.08 87.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.779 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -71.95 -42.4 66.64 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 120.303 -0.559 . . . . 0.0 110.936 179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.23 165.83 38.44 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -91.5 -31.72 15.85 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.268 0.556 . . . . 0.0 110.203 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.83 -43.41 98.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' A' ' 8' ' ' LEU . 19.8 mt -61.22 -42.66 98.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.234 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -61.17 -46.17 91.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.245 179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.07 -43.44 98.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.418 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -59.1 -46.77 87.45 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.743 0.652 . . . . 0.0 110.366 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.65 97.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.677 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.36 -44.58 94.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.8 m -60.95 -41.94 97.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.297 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -127.64 91.07 3.22 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.863 0.363 . . . . 0.0 110.623 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.9 m -68.84 -24.18 28.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.884 0.85 . . . . 0.0 109.345 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.09 -41.95 99.71 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 39.8 mmtm -61.51 -39.73 92.06 Favored 'General case' 0 C--O 1.241 0.608 0 O-C-N 122.512 -0.405 . . . . 0.0 109.976 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.0 t -60.8 -46.9 95.34 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.914 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -62.72 -43.19 99.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.162 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -57.44 -47.53 81.56 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.802 0.689 . . . . 0.0 111.436 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.477 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 14.1 m95 -66.81 -38.62 86.82 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 119.276 -0.97 . . . . 0.0 111.005 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 30' ' ' LEU . 87.9 mt -63.18 -41.94 99.28 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.474 -179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -63.39 -42.7 98.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.922 0.391 . . . . 0.0 110.436 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.8 p -66.95 -21.57 65.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.632 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 82.9 19.07 63.94 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.671 -0.972 . . . . 0.0 110.671 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.65 157.07 28.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.401 . . . . 0.0 110.974 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.3 p -82.75 149.77 27.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.757 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.456 ' CD1' HD23 ' A' ' 4' ' ' LEU . 30.2 m-85 -59.97 -41.36 91.8 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 123.735 0.647 . . . . 0.0 110.935 -179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -64.21 -50.28 68.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.886 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 53.2 tt0 -58.85 -41.05 86.06 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.166 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -63.62 -44.14 98.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 O-C-N 123.402 0.439 . . . . 0.0 111.565 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -68.43 -33.74 74.75 Favored 'General case' 0 CA--C 1.499 -1.005 0 C-N-CA 117.41 -1.716 . . . . 0.0 109.452 178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -56.99 -49.93 74.26 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 124.799 1.312 . . . . 0.0 109.137 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 24.0 m0 -59.71 -43.88 93.95 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.957 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.28 -45.8 97.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.525 -177.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -36.32 79.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.576 -178.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' OD1' ' NE1' ' A' ' 49' ' ' TRP . 51.7 t30 -63.3 -43.34 98.11 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.522 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' O ' ' O ' ' A' ' 49' ' ' TRP . . . -63.99 -42.66 97.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.16 0.505 . . . . 0.0 110.27 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 47' ' ' LEU . 4.5 tt -60.04 -44.73 94.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.276 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.49 99.53 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.539 ' NE1' ' OD1' ' A' ' 45' ' ' ASN . 55.8 p-90 -153.37 160.85 42.74 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.803 -0.444 . . . . 0.0 109.803 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 . . . . . 0 C--O 1.217 -0.64 0 CA-C-O 117.793 -1.099 . . . . 0.0 109.705 178.89 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.451 ' O1 ' ' C ' ' A' ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.99 98.27 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.768 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.28 -42.95 98.96 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.467 HD23 ' CD1' ' A' ' 36' ' ' TYR . 2.3 tm? -59.49 -46.16 89.62 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 120.796 0.331 . . . . 0.0 110.314 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.55 -43.77 97.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.381 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.9 ttm-85 -59.27 -45.28 91.66 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.078 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -59.89 -45.59 92.03 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.528 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 15' ' ' LEU . 38.5 mt -62.83 -42.2 99.63 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 119.841 -0.744 . . . . 0.0 110.223 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.689 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.4 tt -62.62 -44.2 96.9 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.402 0.439 . . . . 0.0 110.711 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.2 t -61.07 -40.44 93.68 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.646 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -71.36 -42.8 68.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.225 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.87 161.93 35.72 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -84.44 -32.67 23.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.213 0.53 . . . . 0.0 110.575 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.7 -44.14 96.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.383 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' HB3' HD22 ' A' ' 8' ' ' LEU . 24.1 mt -61.37 -43.29 99.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.128 0.49 . . . . 0.0 110.593 -179.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -61.38 -45.02 96.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.593 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -61.64 -43.21 99.29 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.225 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.3 t-105 -59.77 -45.76 91.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.829 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.5 97.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 -179.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.61 -44.32 90.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.067 0.461 . . . . 0.0 110.443 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 53.9 m -61.38 -42.03 98.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.531 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -128.62 89.32 2.87 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.005 0.431 . . . . 0.0 110.81 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.95 -25.7 36.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.704 0.764 . . . . 0.0 109.319 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.2 -41.84 99.72 Favored Glycine 0 C--O 1.219 -0.825 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 70.4 mmtt -59.94 -41.53 92.02 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 122.334 -0.51 . . . . 0.0 110.079 179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.06 -46.32 96.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 O-C-N 123.912 0.757 . . . . 0.0 110.269 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 64.9 m95 -62.72 -43.68 98.18 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.758 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -58.51 -46.4 86.81 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.719 0.637 . . . . 0.0 110.814 -178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.47 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 10.5 m95 -66.05 -39.53 90.19 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 119.04 -1.064 . . . . 0.0 110.833 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 30' ' ' LEU . 38.9 mt -61.81 -42.79 99.46 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.366 -0.533 . . . . 0.0 110.465 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.3 -42.57 99.47 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.4 t -61.91 -42.41 99.06 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.192 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.57 8.13 52.72 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.31 -178.2 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.309 . . . . 0.0 110.399 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.6 p -102.24 149.35 24.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.014 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.467 ' CD1' HD23 ' A' ' 4' ' ' LEU . 34.8 m-85 -58.73 -43.26 90.16 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.639 -178.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HA ' ' HZ3' ' A' ' 40' ' ' LYS . 7.1 pt-20 -62.03 -49.17 77.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.31 0.576 . . . . 0.0 111.16 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.571 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 33.0 tt0 -59.07 -41.67 88.53 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 121.924 -0.485 . . . . 0.0 111.266 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.27 -44.19 97.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 O-C-N 123.56 0.538 . . . . 0.0 110.943 -179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 15.3 pttm -68.19 -34.02 75.51 Favored 'General case' 0 C--O 1.209 -1.054 0 C-N-CA 117.396 -1.722 . . . . 0.0 110.029 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -56.92 -48.79 77.43 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.795 1.309 . . . . 0.0 108.962 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.571 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 29.8 m0 -59.83 -44.77 93.87 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.514 179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.28 -45.69 97.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.165 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -36.28 81.57 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.845 -178.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.577 ' OD1' ' CE2' ' A' ' 49' ' ' TRP . 43.9 t-20 -63.05 -42.29 99.7 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.301 177.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.15 -42.1 94.11 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 121.031 0.443 . . . . 0.0 110.227 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -58.11 -44.69 87.83 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.186 -179.818 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.86 99.13 Favored Glycine 0 C--N 1.337 0.613 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.577 ' CE2' ' OD1' ' A' ' 45' ' ' ASN . 29.2 p90 -153.14 155.78 37.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.832 0.348 . . . . 0.0 110.697 179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.522 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.05 95.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.803 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.61 -41.98 99.68 Favored Glycine 0 N--CA 1.464 0.535 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.441 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.6 tm? -60.31 -45.32 93.79 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.0 mt -63.62 -43.27 97.34 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.832 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -43.98 93.42 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.939 0.4 . . . . 0.0 110.386 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' CZ ' ' HE2' ' A' ' 11' ' ' LYS . 65.6 t80 -61.0 -45.58 94.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.708 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.99 -41.38 97.97 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.416 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.7 tp -64.19 -45.19 89.44 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.483 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -59.82 -39.65 85.76 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.037 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HE2' ' CZ ' ' A' ' 7' ' ' PHE . 65.4 mmtt -72.36 -43.52 63.89 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.42 -0.512 . . . . 0.0 111.783 -179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.92 150.04 15.71 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.558 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.38 -34.41 61.11 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 121.64 0.733 . . . . 0.0 109.205 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.45 97.63 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.845 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 33.3 mt -61.47 -43.65 98.49 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.394 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -61.97 -44.68 96.24 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.204 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -61.05 -43.67 98.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.264 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.9 t-105 -60.08 -44.97 94.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.551 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.94 99.48 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.43 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -63.13 -44.19 96.27 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.816 0.341 . . . . 0.0 110.959 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 51.8 m -60.7 -43.17 98.1 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.756 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -130.11 88.04 2.6 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.178 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.5 m -69.58 -27.69 34.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.542 0.687 . . . . 0.0 109.88 179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.25 -46.72 93.89 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.615 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 66.6 mmtt -61.09 -35.75 77.84 Favored 'General case' 0 C--O 1.25 1.109 0 O-C-N 121.488 -1.007 . . . . 0.0 110.908 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.5 t -66.08 -44.69 91.83 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 CA-C-O 121.701 0.762 . . . . 0.0 109.65 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.91 -41.82 96.85 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.07 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -52.69 -51.78 58.8 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 124.949 1.406 . . . . 0.0 110.675 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.615 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.8 m-90 -72.9 -33.06 65.78 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 117.474 -1.691 . . . . 0.0 111.926 -179.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 30' ' ' LEU . 35.8 mt -59.2 -43.89 92.25 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.469 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.98 -44.35 85.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.888 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 31.8 t -59.4 -21.71 60.34 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.76 13.95 61.94 Favored Glycine 0 N--CA 1.468 0.821 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.68 152.61 43.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.157 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -76.02 153.27 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.535 0.683 . . . . 0.0 111.136 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.441 ' CD1' HD23 ' A' ' 4' ' ' LEU . 28.6 m-85 -60.07 -36.77 78.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.621 0.724 . . . . 0.0 109.885 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.0 -49.46 70.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.562 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.543 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 51.2 tt0 -59.33 -39.72 84.02 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.098 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.33 -46.25 96.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 O-C-N 123.919 0.762 . . . . 0.0 111.616 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -67.71 -34.4 76.8 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 117.653 -1.619 . . . . 0.0 109.714 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -57.5 -50.62 72.46 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.68 1.237 . . . . 0.0 109.8 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.543 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 18.4 m0 -62.23 -40.58 96.61 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.452 -0.899 . . . . 0.0 110.281 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.59 -46.71 95.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -36.51 80.55 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 120.066 -0.654 . . . . 0.0 111.181 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -63.89 -42.84 97.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.354 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.89 98.87 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 50' ' ' ARG . 1.7 mp -59.26 -46.01 89.67 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.267 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.25 -41.42 99.73 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -61.22 -40.3 93.47 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.93 0.395 . . . . 0.0 110.529 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 47' ' ' LEU . 40.3 ptt180 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.097 -0.954 . . . . 0.0 110.95 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.02 98.44 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.27 -40.84 99.16 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 110.185 -1.166 . . . . 0.0 110.185 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.774 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.5 tm? -61.89 -45.11 95.16 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.118 0.485 . . . . 0.0 110.779 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.49 -43.96 97.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.117 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -59.27 -45.24 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -59.86 -45.79 91.36 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.887 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 15' ' ' LEU . 25.8 mt -62.35 -42.41 99.37 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.218 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.704 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.5 tt -63.06 -44.83 94.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.598 0.561 . . . . 0.0 110.58 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.7 m -60.21 -40.19 89.25 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.992 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HE3' ' HZ2' ' A' ' 40' ' ' LYS . 66.0 mmtt -72.1 -42.25 66.32 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.043 -0.663 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.49 164.33 37.94 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -90.3 -31.79 16.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 111.149 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.08 -47.4 86.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.66 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.597 ' HB3' HD22 ' A' ' 8' ' ' LEU . 9.8 mt -61.64 -41.23 97.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.162 0.506 . . . . 0.0 109.785 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.93 -47.54 85.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.477 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.69 -42.88 93.95 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.889 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -59.82 -46.72 88.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.814 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.19 -41.21 96.42 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.418 0.449 . . . . 0.0 110.333 -178.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.63 -45.05 88.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.67 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.0 t -61.38 -43.14 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.586 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -122.98 88.93 3.02 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.945 0.403 . . . . 0.0 110.398 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.72 -24.03 32.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.343 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.17 -42.72 99.73 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.515 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 2.4 mptm? -61.63 -40.21 94.04 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.785 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.586 ' O ' HD13 ' A' ' 30' ' ' LEU . 70.9 t -60.97 -47.0 95.52 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 O-C-N 123.912 0.757 . . . . 0.0 109.984 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 60.9 m95 -62.86 -42.82 99.9 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.005 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -59.24 -45.32 91.46 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.984 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.515 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 11.4 m95 -66.93 -38.35 86.0 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 119.134 -1.026 . . . . 0.0 110.507 -179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 26' ' ' VAL . 8.6 mp -62.97 -42.73 99.92 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.357 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.12 -42.75 99.54 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.559 -0.457 . . . . 0.0 109.793 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 m -60.52 -39.6 88.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.94 0.4 . . . . 0.0 110.731 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.34 10.38 55.89 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.321 -0.712 . . . . 0.0 111.321 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.28 -178.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.2 p -102.89 153.3 20.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.048 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.437 ' CD1' HD23 ' A' ' 4' ' ' LEU . 21.0 m-85 -59.08 -42.79 91.28 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.454 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -61.91 -52.3 64.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.852 0.834 . . . . 0.0 110.829 -179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.612 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 34.0 tt0 -57.51 -40.73 79.34 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 -179.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.61 -45.05 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.405 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.474 ' HZ2' ' HE3' ' A' ' 11' ' ' LYS . 15.2 pttm -67.45 -33.84 75.95 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 117.716 -1.594 . . . . 0.0 109.199 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -57.16 -49.15 76.87 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 124.767 1.292 . . . . 0.0 109.102 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.612 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 36.0 m0 -60.28 -44.29 95.47 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.466 0.651 . . . . 0.0 110.233 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 95.5 mt -62.12 -46.35 96.68 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.368 -177.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -36.55 78.65 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.569 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.582 ' OD1' ' CE2' ' A' ' 49' ' ' TRP . 49.2 t-20 -62.55 -41.75 99.1 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 118.42 0.555 . . . . 0.0 110.643 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.89 93.52 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.6 tt -59.78 -44.94 93.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.418 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.52 -43.71 98.54 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.44 -1.064 . . . . 0.0 110.44 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.582 ' CE2' ' OD1' ' A' ' 45' ' ' ASN . 26.9 p90 -154.31 160.19 41.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.323 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.221 179.533 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . 0.476 ' CE ' ' HE1' ' A' ' 27' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.02 -41.0 97.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.36 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.02 -42.05 99.71 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.195 -1.162 . . . . 0.0 110.195 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -59.72 -45.48 92.04 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.024 0.44 . . . . 0.0 109.877 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.84 -42.81 97.53 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.449 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -60.3 -43.89 95.89 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -60.2 -45.43 93.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.225 0.536 . . . . 0.0 111.06 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.6 mt -62.62 -42.29 99.5 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 119.968 -0.693 . . . . 0.0 110.208 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.671 HD23 ' O ' ' A' ' 9' ' ' LEU . 3.2 tt -63.29 -44.2 95.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.523 0.514 . . . . 0.0 110.687 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.9 t -61.4 -40.15 93.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 120.984 -0.287 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -71.82 -41.97 67.58 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.067 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.11 160.74 34.32 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.376 -0.916 . . . . 0.0 111.757 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -86.76 -32.67 20.26 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.311 0.577 . . . . 0.0 109.716 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.36 97.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.047 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 25.0 mt -61.37 -41.94 97.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.98 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -62.04 -44.91 95.69 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.425 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.6 t30 -61.54 -43.28 99.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.939 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -59.05 -46.4 88.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.705 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -41.37 97.1 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.866 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -64.16 -43.94 93.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.174 0.512 . . . . 0.0 110.7 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.1 m -62.81 -41.65 99.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.743 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -133.04 86.29 2.29 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.568 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.2 m -68.46 -26.92 34.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.376 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.06 -48.54 85.6 Favored Glycine 0 C--O 1.218 -0.866 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.857 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 66.4 mmtt -60.84 -36.73 79.85 Favored 'General case' 0 C--N 1.31 -1.114 0 O-C-N 121.742 -0.858 . . . . 0.0 110.899 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.419 ' O ' HD23 ' A' ' 30' ' ' LEU . 78.4 t -65.18 -45.15 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.637 0.732 . . . . 0.0 109.147 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.476 ' HE1' ' CE ' ' A' ' 1' ' ' FME . 12.5 m0 -59.73 -42.81 93.99 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.42 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.3 tp10 -53.59 -50.26 66.0 Favored 'General case' 0 C--N 1.333 -0.112 0 O-C-N 124.801 1.313 . . . . 0.0 110.803 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.619 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 6.8 m-90 -73.26 -33.63 65.37 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 117.435 -1.706 . . . . 0.0 111.772 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 26' ' ' VAL . 1.9 mm? -60.06 -44.0 95.03 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.886 -0.726 . . . . 0.0 109.645 179.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -65.92 -43.03 89.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.021 0.439 . . . . 0.0 110.431 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 m -58.74 -39.23 80.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.969 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.6 15.61 20.27 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.483 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 29' ' ' TRP . . . -64.98 153.51 40.4 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.247 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.0 p -72.13 151.95 42.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.506 0.67 . . . . 0.0 110.671 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.451 ' CD1' HD23 ' A' ' 4' ' ' LEU . 31.6 m-85 -61.1 -36.77 80.56 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.432 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -64.9 -47.27 78.39 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.666 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.53 ' CD ' ' CH2' ' A' ' 42' ' ' TRP . 51.9 tt0 -60.74 -39.55 89.1 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.223 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.08 -47.52 92.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -66.65 -34.62 78.27 Favored 'General case' 0 CA--C 1.495 -1.166 0 C-N-CA 117.34 -1.744 . . . . 0.0 110.2 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -58.02 -49.17 77.77 Favored 'General case' 0 CA--C 1.506 -0.735 0 O-C-N 124.897 1.373 . . . . 0.0 110.145 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.53 ' CH2' ' CD ' ' A' ' 38' ' ' GLN . 18.3 m0 -63.34 -40.69 98.0 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.284 -0.967 . . . . 0.0 110.248 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.61 -46.45 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.12 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -36.0 78.47 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 118.589 -0.72 . . . . 0.0 110.682 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -62.52 -42.49 99.55 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 118.708 0.685 . . . . 0.0 110.386 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.72 95.85 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 120.193 -0.603 . . . . 0.0 110.122 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 47' ' ' LEU . 3.6 tt -60.74 -44.96 96.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.506 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.02 -41.5 99.68 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -60.12 -40.58 90.23 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.692 0.282 . . . . 0.0 110.874 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.432 179.83 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.92 -41.76 98.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.084 0.469 . . . . 0.0 110.869 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.32 -41.59 99.55 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 36' ' ' TYR . 1.7 tm? -60.25 -45.54 92.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.853 0.358 . . . . 0.0 110.185 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.32 -43.49 97.66 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.482 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.0 tmm_? -60.39 -44.36 95.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.411 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -60.18 -45.26 93.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.152 0.501 . . . . 0.0 110.443 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 15' ' ' LEU . 17.4 mt -62.68 -42.19 99.49 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.463 -0.895 . . . . 0.0 110.209 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.4 tt -63.21 -43.46 98.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.338 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.1 m -61.66 -39.83 92.78 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.049 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -71.44 -42.69 67.89 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.17 -0.612 . . . . 0.0 110.512 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.24 163.15 36.65 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.621 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.674 ' NH2' HD21 ' A' ' 17' ' ' ASN . 77.9 ttt-85 -88.51 -31.92 18.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.988 0.423 . . . . 0.0 110.513 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.69 97.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.725 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.473 ' HB3' HD22 ' A' ' 8' ' ' LEU . 32.0 mt -60.92 -42.56 98.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.191 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.22 -45.31 95.09 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.104 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.674 HD21 ' NH2' ' A' ' 13' ' ' ARG . 90.0 m-20 -61.82 -43.53 98.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.458 179.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 39.3 t-105 -58.48 -46.43 86.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.74 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.13 99.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.587 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.35 -44.93 95.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.654 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.4 t -61.91 -42.92 99.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.816 -179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -134.86 88.78 2.46 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 120.811 0.339 . . . . 0.0 110.959 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -69.45 -26.99 32.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.185 0.516 . . . . 0.0 110.78 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.92 -44.54 98.01 Favored Glycine 0 C--O 1.216 -1.005 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 29' ' ' TRP . 23.2 mmtp -62.27 -37.68 86.43 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-N 117.26 0.53 . . . . 0.0 111.219 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.7 t -66.68 -44.35 89.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -58.1 -44.5 87.69 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.444 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -52.38 -51.2 60.23 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 124.723 1.264 . . . . 0.0 111.073 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.598 ' CE3' ' O ' ' A' ' 25' ' ' LYS . 5.3 m-90 -74.25 -32.9 63.14 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 117.729 -1.588 . . . . 0.0 112.271 -179.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.52 -43.78 93.33 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.336 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -64.37 -43.78 93.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.8 m -59.73 -41.01 89.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.68 15.72 11.79 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB3' ' HB3' ' A' ' 29' ' ' TRP . . . -65.47 151.21 46.9 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.055 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.2 p -75.43 156.16 35.6 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 111.129 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.436 ' CD1' HD23 ' A' ' 4' ' ' LEU . 32.3 m-85 -61.1 -41.21 96.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.38 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.44 -48.84 77.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.016 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.662 ' NE2' ' CZ2' ' A' ' 42' ' ' TRP . 39.7 tt0 -58.93 -41.76 88.11 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.69 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.66 -46.59 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 O-C-N 123.887 0.742 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -68.2 -34.28 75.97 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 117.02 -1.872 . . . . 0.0 110.664 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -58.11 -48.02 81.48 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 124.338 1.024 . . . . 0.0 109.488 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.662 ' CZ2' ' NE2' ' A' ' 38' ' ' GLN . 48.1 m0 -62.12 -42.64 99.43 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.04 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.02 -44.83 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -35.52 79.06 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.403 -178.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -62.79 -43.18 99.49 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 120.451 -0.5 . . . . 0.0 109.877 177.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.542 ' O ' ' N ' ' A' ' 50' ' ' ARG . . . -63.6 -42.59 98.23 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.354 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.88 -44.58 94.11 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.342 -179.583 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.29 99.9 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.593 ' CD2' ' O ' ' A' ' 49' ' ' TRP . 40.8 p-90 -171.78 65.57 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.444 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 46' ' ' ALA . 94.9 mtt-85 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.085 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' FME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.73 90.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.287 0.565 . . . . 0.0 110.452 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.95 -43.08 99.44 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.762 HD13 ' C ' ' A' ' 4' ' ' LEU . 2.7 tm? -59.71 -44.57 93.66 Favored 'General case' 0 C--O 1.24 0.605 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.02 -44.1 96.89 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 123.67 0.606 . . . . 0.0 110.46 179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.6 ttt85 -59.4 -44.64 92.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.961 0.41 . . . . 0.0 110.291 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.466 ' CE2' ' NZ ' ' A' ' 11' ' ' LYS . 73.7 t80 -60.57 -46.86 88.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.879 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 15' ' ' LEU . 35.6 mt -62.08 -41.18 97.91 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.937 -0.705 . . . . 0.0 110.317 -178.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.1 tp -63.05 -44.71 95.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.745 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.0 p -62.13 -37.31 84.68 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.305 -179.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' NZ ' ' CE2' ' A' ' 7' ' ' PHE . 41.4 mmtm -72.88 -43.06 62.98 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.857 -0.737 . . . . 0.0 111.019 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.1 160.9 34.71 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.8 mtm-85 -86.28 -32.22 21.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.192 0.52 . . . . 0.0 110.625 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.18 99.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.919 -178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HB3' HD22 ' A' ' 8' ' ' LEU . 13.6 mt -63.11 -40.67 98.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.036 0.446 . . . . 0.0 110.027 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -61.67 -46.32 90.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.161 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.87 -42.56 98.12 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.403 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.521 ' CD1' HD13 ' A' ' 43' ' ' ILE . 23.3 t-105 -59.92 -46.98 87.65 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.53 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.69 97.79 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -64.26 -45.14 89.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.732 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.0 p -62.4 -41.6 98.79 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.919 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -127.06 86.69 2.53 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.874 0.369 . . . . 0.0 110.289 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.8 m -67.01 -24.08 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.946 0.879 . . . . 0.0 109.503 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.51 -40.26 98.88 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 28.0 mmtp -62.5 -39.98 95.26 Favored 'General case' 0 C--O 1.246 0.883 0 O-C-N 122.328 -0.513 . . . . 0.0 110.354 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.83 -46.32 96.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 O-C-N 124.095 0.872 . . . . 0.0 109.623 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -62.2 -43.56 98.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.878 179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 28' ' ' GLU . 8.0 tm-20 -59.02 -45.1 91.55 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.558 0.536 . . . . 0.0 111.465 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' CD1' ' O ' ' A' ' 25' ' ' LYS . 13.8 m95 -67.7 -38.86 84.21 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 118.811 -1.156 . . . . 0.0 110.27 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 30' ' ' LEU . 93.2 mt -62.34 -43.26 99.23 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 119.731 -0.788 . . . . 0.0 110.395 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.33 -43.98 97.97 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.249 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.5 p -63.48 -31.23 72.33 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.28 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.44 26.63 29.8 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.02 171.44 13.47 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.7 p -89.39 151.6 21.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.589 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.49 ' CD1' HD23 ' A' ' 4' ' ' LEU . 30.6 m-85 -61.05 -40.05 92.15 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.231 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.42 ' HA ' ' HZ3' ' A' ' 40' ' ' LYS . 83.2 tt0 -63.97 -52.62 58.8 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.114 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' CD ' ' CZ2' ' A' ' 42' ' ' TRP . 57.6 tt0 -56.89 -40.75 76.8 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.176 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 59.0 mt -65.05 -45.02 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.427 -179.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HZ3' ' HA ' ' A' ' 37' ' ' GLU . 16.2 pttm -68.01 -33.1 73.97 Favored 'General case' 0 CA--C 1.502 -0.867 0 C-N-CA 117.696 -1.602 . . . . 0.0 109.152 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -57.48 -49.65 75.59 Favored 'General case' 0 C--O 1.219 -0.542 0 O-C-N 124.611 1.194 . . . . 0.0 108.618 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.453 ' CZ2' ' CD ' ' A' ' 38' ' ' GLN . 25.4 m0 -59.32 -44.11 92.6 Favored 'General case' 0 CA--C 1.515 -0.369 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.843 179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.521 HD13 ' CD1' ' A' ' 18' ' ' TRP . 96.3 mt -62.15 -47.4 93.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.624 -178.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -35.97 79.75 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.696 -178.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.533 ' OD1' ' CZ2' ' A' ' 49' ' ' TRP . 27.0 t-20 -63.34 -42.91 98.98 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.627 178.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -41.22 96.06 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 mp -60.34 -46.14 90.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.109 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.22 -43.15 98.76 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.533 ' CZ2' ' OD1' ' A' ' 45' ' ' ASN . 41.7 m0 -62.94 -40.12 96.69 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.778 0.323 . . . . 0.0 111.044 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.8 ptt85 . . . . . 0 C--O 1.217 -0.651 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.578 -179.911 . . . . . . . . 0 0 . 1 stop_ save_