==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAY-09 2WIO . COMPND 2 MOLECULE: ERYTHROMYCIN B/D C-12 HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROPOLYSPORA ERYTHRAEA; . AUTHOR C.SAVINO,L.C.MONTEMIGLIO,G.SCIARA,A.E.MIELE,S.G.KEDREW, . 393 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 23 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 2 0 1 1 1 0 2 1 1 2 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 19 A D 0 0 131 0, 0.0 2,-0.4 0, 0.0 28,-0.3 0.000 360.0 360.0 360.0 48.0 21.5 -16.5 9.2 2 20 A E - 0 0 128 26,-0.1 3,-0.0 27,-0.0 26,-0.0 -0.956 360.0-130.2-127.2 143.0 21.9 -12.9 10.3 3 21 A V - 0 0 49 -2,-0.4 2,-0.1 12,-0.0 9,-0.1 -0.840 36.8-124.1 -81.4 123.0 19.5 -10.2 11.6 4 22 A P - 0 0 36 0, 0.0 -1,-0.0 0, 0.0 5,-0.0 -0.412 32.4-107.5 -63.5 145.3 20.2 -7.0 9.6 5 23 A G - 0 0 26 -2,-0.1 7,-0.1 1,-0.1 368,-0.1 -0.108 21.5-109.3 -74.3 173.2 21.1 -4.0 11.7 6 24 A M S S+ 0 0 8 366,-0.2 366,-0.2 1,-0.1 365,-0.1 0.753 103.8 65.5 -75.4 -27.1 19.0 -1.0 12.4 7 25 A A S S+ 0 0 36 1,-0.2 2,-1.9 363,-0.1 3,-0.2 0.950 89.0 61.4 -70.4 -53.2 20.9 1.6 10.3 8 26 A D S > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.1 -1,-0.2 -0.559 70.8 178.4 -75.7 88.9 20.4 0.4 6.8 9 27 A E H > S+ 0 0 24 -2,-1.9 4,-3.1 1,-0.2 5,-0.3 0.915 71.9 53.0 -65.1 -43.8 16.6 0.8 7.1 10 28 A T H > S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.905 109.9 47.1 -60.2 -49.6 15.8 -0.4 3.5 11 29 A A H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.849 113.8 50.5 -58.4 -39.3 17.7 -3.6 3.8 12 30 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.973 113.4 43.1 -60.5 -56.2 16.0 -4.2 7.2 13 31 A L H X S+ 0 0 28 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.859 113.6 53.1 -60.5 -38.1 12.5 -3.5 5.8 14 32 A D H X S+ 0 0 101 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.930 111.7 45.1 -61.2 -46.3 13.3 -5.6 2.7 15 33 A W H X S+ 0 0 46 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.949 111.9 50.4 -65.3 -50.3 14.4 -8.6 4.9 16 34 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.908 108.4 55.1 -53.7 -42.3 11.4 -8.3 7.3 17 35 A G H X S+ 0 0 21 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.908 108.6 46.7 -57.9 -44.1 9.2 -8.3 4.2 18 36 A T H X S+ 0 0 50 -4,-1.8 4,-3.7 1,-0.2 5,-0.4 0.868 111.7 52.1 -65.5 -36.6 10.7 -11.6 3.0 19 37 A M H X S+ 0 0 8 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.915 105.7 52.9 -68.1 -40.2 10.4 -13.1 6.4 20 38 A R H < S+ 0 0 35 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.842 119.2 37.2 -63.4 -34.1 6.7 -12.2 6.7 21 39 A E H < S+ 0 0 148 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.901 133.5 20.6 -83.7 -43.0 6.2 -14.0 3.4 22 40 A K H < S+ 0 0 124 -4,-3.7 -3,-0.2 1,-0.2 -2,-0.2 0.724 136.3 13.5-104.0 -24.6 8.6 -17.0 3.7 23 41 A Q < + 0 0 91 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.1 -0.485 58.5 171.8-154.3 71.9 9.4 -17.6 7.4 24 42 A P S S+ 0 0 21 0, 0.0 12,-2.0 0, 0.0 13,-0.5 0.645 80.4 39.4 -67.9 -16.7 6.9 -15.7 9.6 25 43 A V E S+A 35 0A 3 10,-0.2 2,-0.4 -6,-0.1 10,-0.2 -0.966 81.5 177.4-130.6 113.3 8.3 -17.5 12.8 26 44 A W E -A 34 0A 31 8,-2.0 8,-3.2 -2,-0.4 2,-0.6 -0.958 24.9-147.7-127.9 136.5 12.1 -17.8 12.7 27 45 A Q E -A 33 0A 100 -2,-0.4 6,-0.2 6,-0.2 267,-0.0 -0.900 22.8-149.2-103.6 116.6 14.6 -19.2 15.1 28 46 A D > - 0 0 20 4,-3.2 3,-2.1 -2,-0.6 -26,-0.1 -0.232 32.6 -95.1 -79.1 177.6 17.9 -17.5 14.9 29 47 A R T 3 S+ 0 0 167 -28,-0.3 -1,-0.1 1,-0.3 -27,-0.0 0.576 125.5 58.3 -71.6 -10.9 21.3 -19.0 15.7 30 48 A Y T 3 S- 0 0 168 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.348 120.2-109.6 -96.2 4.2 21.2 -17.7 19.2 31 49 A G S < S+ 0 0 25 -3,-2.1 2,-0.4 1,-0.3 262,-0.3 0.684 72.9 140.9 72.0 19.8 17.9 -19.7 19.7 32 50 A V - 0 0 25 260,-0.1 -4,-3.2 262,-0.0 2,-0.4 -0.795 47.5-135.6 -93.9 134.6 15.8 -16.5 19.8 33 51 A W E -Ab 27 294A 20 260,-2.8 262,-3.5 -2,-0.4 2,-0.4 -0.796 15.3-154.8 -96.3 132.7 12.5 -16.8 18.1 34 52 A H E -Ab 26 295A 5 -8,-3.2 -8,-2.0 -2,-0.4 2,-0.5 -0.887 2.8-159.9-115.5 136.9 11.4 -13.9 15.9 35 53 A V E +Ab 25 296A 0 260,-2.5 262,-3.2 -2,-0.4 -10,-0.2 -0.984 14.3 171.3-125.7 123.1 7.8 -13.1 15.1 36 54 A F + 0 0 0 -12,-2.0 2,-0.3 -2,-0.5 -16,-0.1 0.632 45.1 82.2-110.3 -25.3 7.0 -11.0 11.9 37 55 A R S > S- 0 0 84 -13,-0.5 4,-2.2 1,-0.1 264,-0.2 -0.689 72.3-127.6 -94.5 149.1 3.3 -10.8 11.1 38 56 A H H > S+ 0 0 37 -2,-0.3 4,-2.4 262,-0.3 5,-0.2 0.857 107.2 52.5 -58.1 -43.5 0.9 -8.4 12.8 39 57 A A H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 113.4 44.8 -61.5 -40.9 -1.6 -11.1 13.8 40 58 A D H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.849 110.4 52.2 -75.9 -38.6 1.1 -13.2 15.5 41 59 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.940 111.3 49.7 -59.5 -47.7 2.8 -10.3 17.3 42 60 A Q H X S+ 0 0 56 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.901 109.2 51.2 -57.8 -45.2 -0.6 -9.4 18.6 43 61 A T H X S+ 0 0 75 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.924 111.8 47.5 -58.0 -48.4 -1.2 -13.0 19.8 44 62 A V H < S+ 0 0 0 -4,-2.5 7,-0.2 1,-0.2 -2,-0.2 0.930 112.4 48.7 -56.7 -47.4 2.1 -13.1 21.6 45 63 A L H < S+ 0 0 4 -4,-2.6 287,-0.3 1,-0.2 288,-0.2 0.759 111.9 48.8 -74.1 -25.7 1.5 -9.7 23.3 46 64 A R H < S+ 0 0 159 -4,-1.8 2,-1.5 -5,-0.2 -1,-0.2 0.812 98.4 72.2 -75.1 -33.8 -2.0 -10.7 24.5 47 65 A D X + 0 0 56 -4,-1.8 4,-3.2 1,-0.2 3,-0.2 -0.555 52.3 157.3 -92.4 79.4 -0.9 -14.0 25.9 48 66 A T T 4 + 0 0 26 -2,-1.5 -1,-0.2 1,-0.2 5,-0.2 0.726 68.9 63.6 -75.6 -26.4 1.0 -13.0 29.0 49 67 A A T 4 S+ 0 0 74 -3,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.896 119.1 26.1 -62.4 -43.2 0.5 -16.3 30.8 50 68 A T T 4 S+ 0 0 5 1,-0.2 228,-2.3 -3,-0.2 2,-0.9 0.875 125.7 48.4 -85.7 -42.2 2.6 -18.0 28.0 51 69 A F E < S-C 277 0A 2 -4,-3.2 -1,-0.2 -7,-0.2 226,-0.2 -0.743 84.9-162.3-108.9 90.3 4.7 -15.1 26.9 52 70 A S E -C 276 0A 0 224,-2.4 224,-1.7 -2,-0.9 -3,-0.1 -0.249 30.1-155.7 -78.1 149.9 6.1 -13.6 30.0 53 71 A S S S+ 0 0 12 -5,-0.2 -1,-0.1 222,-0.2 221,-0.0 0.481 85.0 78.4 -90.8 -3.9 7.5 -10.2 30.6 54 72 A D > - 0 0 8 222,-0.2 3,-1.5 1,-0.1 4,-0.5 -0.818 53.6-178.6-113.0 88.5 9.4 -11.8 33.6 55 73 A P G > S+ 0 0 68 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.777 85.5 63.9 -54.1 -26.3 12.5 -13.9 32.6 56 74 A T G > S+ 0 0 33 15,-0.2 3,-2.2 1,-0.2 6,-0.4 0.792 84.4 76.4 -70.6 -24.6 13.0 -14.7 36.3 57 75 A R G < S+ 0 0 119 -3,-1.5 -1,-0.2 1,-0.3 4,-0.1 0.865 94.9 48.8 -49.8 -40.9 9.7 -16.5 36.2 58 76 A V G < S+ 0 0 44 -3,-0.7 2,-0.4 -4,-0.5 -1,-0.3 0.203 99.3 83.8 -89.2 16.1 11.4 -19.4 34.4 59 77 A I S X S- 0 0 96 -3,-2.2 3,-1.7 3,-0.2 2,-0.1 -0.973 82.1-116.3-127.5 122.1 14.4 -19.7 36.9 60 78 A E T 3 S+ 0 0 191 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.348 98.2 0.4 -52.7 116.8 14.5 -21.5 40.2 61 79 A G T 3 S+ 0 0 89 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.535 100.7 117.5 84.2 8.6 15.1 -19.0 43.0 62 80 A A < - 0 0 41 -3,-1.7 -1,-0.3 -6,-0.4 -3,-0.2 -0.865 38.4-176.8-106.8 143.9 15.2 -15.8 41.0 63 81 A S - 0 0 96 -2,-0.4 -6,-0.0 -3,-0.1 -3,-0.0 -0.951 30.2 -88.9-140.0 157.5 12.6 -13.0 41.3 64 82 A P - 0 0 45 0, 0.0 8,-0.1 0, 0.0 3,-0.0 -0.269 43.3-100.2 -71.6 152.1 11.9 -9.6 39.6 65 83 A T > - 0 0 70 1,-0.1 3,-1.6 3,-0.1 6,-0.2 -0.531 49.1-111.7 -63.0 124.5 13.5 -6.3 40.6 66 84 A P T 3 S+ 0 0 47 0, 0.0 149,-0.1 0, 0.0 -1,-0.1 -0.273 99.3 26.4 -64.8 148.7 10.8 -4.4 42.6 67 85 A G T 3 S+ 0 0 4 148,-0.1 2,-1.4 1,-0.1 3,-0.2 0.314 87.2 121.1 87.3 -6.8 9.3 -1.3 41.0 68 86 A M X + 0 0 31 -3,-1.6 3,-2.4 1,-0.2 -1,-0.1 -0.586 34.0 174.1 -98.5 75.5 10.0 -2.7 37.5 69 87 A I G > S+ 0 0 19 -2,-1.4 3,-1.2 1,-0.3 -1,-0.2 0.765 75.1 57.6 -51.1 -34.4 6.6 -2.8 36.0 70 88 A H G 3 S+ 0 0 94 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.582 105.9 53.2 -80.2 -5.7 7.8 -3.8 32.5 71 89 A E G < S+ 0 0 63 -3,-2.4 2,-0.3 -6,-0.2 -1,-0.3 0.207 98.1 77.0-110.4 12.7 9.5 -6.9 34.0 72 90 A I < - 0 0 18 -3,-1.2 -7,-0.0 -4,-0.1 0, 0.0 -0.912 63.9-139.1-131.1 153.5 6.5 -8.4 35.9 73 91 A D > - 0 0 5 -2,-0.3 4,-1.5 1,-0.1 3,-0.5 -0.702 39.5 -53.7-105.8 157.4 3.4 -10.4 35.0 74 92 A P T 4 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.235 111.8 37.5 -53.2 148.3 -0.3 -10.3 36.1 75 93 A P T > S+ 0 0 97 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.957 130.3 33.3 -72.3 -29.6 -1.6 -10.5 38.9 76 94 A E H > S+ 0 0 74 -3,-0.5 4,-2.9 1,-0.2 5,-0.3 0.831 112.7 61.7 -62.2 -33.9 1.2 -8.4 40.5 77 95 A H H X S+ 0 0 2 -4,-1.5 4,-3.3 1,-0.2 -1,-0.2 0.942 106.7 46.8 -54.7 -46.8 1.7 -6.2 37.4 78 96 A R H > S+ 0 0 113 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.924 110.9 51.8 -58.6 -49.7 -1.9 -5.1 37.7 79 97 A A H X S+ 0 0 40 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.937 117.6 38.3 -52.7 -50.3 -1.4 -4.5 41.5 80 98 A L H X S+ 0 0 4 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.897 112.2 54.8 -70.6 -46.3 1.7 -2.3 40.8 81 99 A R H X S+ 0 0 59 -4,-3.3 4,-2.9 -5,-0.3 -1,-0.2 0.891 107.3 53.3 -57.3 -37.9 0.5 -0.6 37.6 82 100 A K H X S+ 0 0 123 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.900 110.9 45.6 -62.0 -45.0 -2.6 0.6 39.6 83 101 A V H >X S+ 0 0 0 -4,-1.4 4,-0.7 -5,-0.2 3,-0.6 0.965 116.5 44.6 -61.1 -53.6 -0.4 2.1 42.3 84 102 A V H >X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 3,-1.4 0.908 110.0 54.9 -59.6 -43.0 1.9 3.8 39.9 85 103 A S H 3< S+ 0 0 42 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.752 99.5 61.4 -63.7 -29.0 -0.9 5.1 37.6 86 104 A S H << S+ 0 0 60 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.679 112.2 39.2 -70.6 -22.6 -2.6 6.8 40.6 87 105 A A H << S+ 0 0 2 -3,-1.4 2,-1.0 -4,-0.7 -2,-0.2 0.882 117.3 47.8 -88.2 -51.6 0.6 8.9 40.9 88 106 A F S < S+ 0 0 10 -4,-2.5 -1,-0.2 109,-0.1 106,-0.0 -0.792 87.6 170.6 -97.8 95.6 1.3 9.4 37.2 89 107 A T > - 0 0 38 -2,-1.0 4,-2.0 -3,-0.2 5,-0.2 -0.519 49.5-103.4-111.8 164.3 -2.2 10.5 36.0 90 108 A P H > S+ 0 0 111 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.874 123.0 45.8 -54.3 -39.6 -3.9 12.0 32.8 91 109 A R H > S+ 0 0 174 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.871 106.6 59.3 -73.1 -37.6 -4.1 15.5 34.4 92 110 A T H 4 S+ 0 0 23 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.941 113.5 38.8 -48.6 -49.0 -0.5 15.2 35.6 93 111 A I H >< S+ 0 0 7 -4,-2.0 3,-1.7 1,-0.2 4,-0.3 0.951 115.5 49.6 -70.8 -50.0 0.5 14.7 31.9 94 112 A S H >< S+ 0 0 50 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.817 102.4 61.3 -63.5 -32.8 -2.0 17.3 30.3 95 113 A D T 3< S+ 0 0 102 -4,-2.6 4,-0.3 1,-0.2 -1,-0.3 0.619 93.7 70.1 -65.4 -14.2 -1.0 20.1 32.8 96 114 A L T <> S+ 0 0 21 -3,-1.7 4,-2.6 -4,-0.3 3,-0.4 0.640 70.4 93.2 -79.6 -15.4 2.6 19.7 31.3 97 115 A E H <> S+ 0 0 58 -3,-1.4 4,-2.8 -4,-0.3 5,-0.3 0.894 82.1 49.6 -47.6 -52.9 1.6 21.2 27.9 98 116 A P H > S+ 0 0 90 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.883 113.8 45.2 -60.3 -38.7 2.6 24.8 28.6 99 117 A R H > S+ 0 0 97 -3,-0.4 4,-3.2 -4,-0.3 5,-0.3 0.897 112.5 51.4 -67.4 -43.3 6.0 24.0 30.0 100 118 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.945 115.1 43.4 -55.7 -50.9 6.7 21.5 27.1 101 119 A R H X S+ 0 0 55 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.867 114.7 50.6 -58.9 -42.4 5.7 24.4 24.7 102 120 A D H X S+ 0 0 78 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.943 113.6 42.6 -67.0 -47.2 7.7 26.9 26.7 103 121 A V H X S+ 0 0 13 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.895 117.0 49.3 -60.5 -44.4 10.9 24.7 26.8 104 122 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.938 110.6 47.5 -64.2 -52.3 10.5 23.8 23.1 105 123 A R H X S+ 0 0 140 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.891 113.0 49.9 -56.9 -43.8 10.0 27.3 21.8 106 124 A S H X S+ 0 0 66 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.911 112.5 46.4 -65.3 -42.9 13.0 28.6 23.8 107 125 A L H >< S+ 0 0 54 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.934 116.1 44.6 -65.1 -50.0 15.3 25.9 22.5 108 126 A L H >< S+ 0 0 2 -4,-2.8 3,-3.2 1,-0.2 -2,-0.2 0.883 101.7 67.5 -60.6 -38.5 14.2 26.3 18.9 109 127 A A H 3< S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.730 99.5 52.3 -58.1 -21.1 14.4 30.1 19.1 110 128 A D T << S+ 0 0 135 -3,-0.9 2,-0.5 -4,-0.7 -1,-0.3 0.396 95.5 87.3 -92.6 2.8 18.1 29.8 19.5 111 129 A A < + 0 0 4 -3,-3.2 4,-0.1 1,-0.1 6,-0.0 -0.898 54.2 168.9-108.3 128.5 18.3 27.6 16.3 112 130 A G - 0 0 15 -2,-0.5 273,-0.3 2,-0.4 275,-0.1 0.328 54.9 -27.0-106.1-129.5 18.7 29.2 12.9 113 131 A E S S+ 0 0 113 1,-0.2 272,-2.8 271,-0.1 2,-0.4 0.901 124.9 23.5 -59.6 -49.6 19.4 28.2 9.4 114 132 A S E S+E 384 0B 73 270,-0.2 -2,-0.4 2,-0.0 2,-0.3 -0.974 74.6 125.2-130.0 136.2 21.4 25.1 10.2 115 133 A F E -E 383 0B 26 268,-1.9 268,-3.5 -2,-0.4 2,-0.7 -0.972 58.8 -91.0-172.4 168.0 21.5 22.9 13.3 116 134 A D E > -E 382 0B 6 -2,-0.3 4,-2.4 266,-0.3 5,-0.3 -0.860 28.6-157.1 -92.7 115.9 21.2 19.4 14.6 117 135 A L H >>S+ 0 0 0 264,-2.5 4,-2.3 -2,-0.7 5,-2.1 0.843 93.8 49.3 -61.7 -32.4 17.5 18.9 15.5 118 136 A V H 4>S+ 0 0 0 263,-0.3 5,-2.7 3,-0.2 -1,-0.2 0.977 112.8 44.4 -72.4 -51.6 18.5 16.1 17.9 119 137 A D H 45S+ 0 0 69 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.860 122.6 39.8 -56.1 -36.9 21.2 18.1 19.7 120 138 A V H <5S- 0 0 37 -4,-2.4 -2,-0.2 3,-0.1 -1,-0.2 0.930 137.8 -9.2 -81.2 -49.4 18.9 21.2 19.9 121 139 A L T X5S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -3,-0.2 0.795 121.5 56.2-116.4 -56.4 15.5 19.8 20.6 122 140 A A T 4 S+ 0 0 33 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.818 105.1 69.3 -69.5 -31.0 17.3 17.8 25.7 125 143 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.927 97.7 42.9 -54.3 -58.3 13.4 18.1 25.7 126 144 A P H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.912 115.1 49.4 -61.7 -43.9 12.2 14.8 27.2 127 145 A V H X S+ 0 0 12 -4,-0.7 4,-2.7 2,-0.2 5,-0.2 0.893 108.5 53.6 -65.0 -39.1 14.8 14.7 30.0 128 146 A T H X S+ 0 0 39 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.942 112.3 45.5 -56.6 -46.3 13.9 18.3 31.0 129 147 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.885 111.5 50.7 -67.7 -40.8 10.3 17.4 31.2 130 148 A V H X S+ 0 0 8 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.942 109.8 51.7 -61.4 -45.5 11.0 14.2 33.2 131 149 A A H X>S+ 0 0 3 -4,-2.7 5,-1.7 1,-0.2 4,-1.0 0.921 113.4 44.1 -56.9 -44.1 13.1 16.1 35.6 132 150 A E H <5S+ 0 0 57 -4,-2.1 3,-0.2 2,-0.2 -1,-0.2 0.887 111.5 51.9 -71.4 -38.5 10.3 18.7 36.2 133 151 A L H <5S+ 0 0 11 -4,-2.7 61,-2.5 1,-0.2 62,-0.2 0.896 109.4 51.4 -62.1 -38.9 7.6 16.0 36.5 134 152 A L H <5S- 0 0 1 -4,-2.6 61,-1.0 -5,-0.2 62,-0.3 0.736 109.1-128.8 -73.0 -22.7 9.8 14.3 39.1 135 153 A G T <5 + 0 0 31 -4,-1.0 -3,-0.2 -3,-0.2 -2,-0.1 0.714 47.4 162.7 85.4 25.7 10.1 17.6 41.1 136 154 A L < - 0 0 7 -5,-1.7 -1,-0.2 1,-0.1 5,-0.1 -0.520 49.3 -82.0 -86.7 145.1 13.8 17.5 41.3 137 155 A P > - 0 0 51 0, 0.0 3,-3.5 0, 0.0 4,-0.5 -0.129 31.5-129.5 -44.9 125.8 15.9 20.6 42.2 138 156 A P G > S+ 0 0 91 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.809 111.6 60.8 -44.1 -33.9 16.6 22.8 39.2 139 157 A M G 3 S+ 0 0 165 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.495 99.7 54.6 -75.3 -7.6 20.3 22.6 40.3 140 158 A D G <> S+ 0 0 41 -3,-3.5 4,-2.2 2,-0.1 -1,-0.2 0.462 83.4 90.9 -98.5 -4.8 20.3 18.8 39.9 141 159 A H H <> S+ 0 0 53 -3,-1.1 4,-2.6 -4,-0.5 5,-0.2 0.840 79.8 55.7 -62.3 -40.8 19.1 19.0 36.2 142 160 A E H > S+ 0 0 166 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.928 113.4 39.4 -59.7 -50.5 22.6 19.1 34.6 143 161 A Q H > S+ 0 0 94 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.883 113.8 54.9 -67.7 -39.4 23.7 15.8 36.3 144 162 A F H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.935 110.7 46.7 -58.9 -46.7 20.3 14.2 35.8 145 163 A G H X S+ 0 0 17 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.856 109.5 54.2 -60.4 -39.2 20.6 15.0 32.1 146 164 A D H X S+ 0 0 102 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.875 109.4 47.1 -66.3 -37.5 24.2 13.7 32.0 147 165 A W H X S+ 0 0 38 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.949 115.7 44.1 -66.6 -50.6 23.2 10.3 33.4 148 166 A S H X S+ 0 0 2 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.921 114.4 51.6 -59.6 -43.2 20.2 9.9 31.0 149 167 A G H X S+ 0 0 8 -4,-2.7 4,-3.0 1,-0.2 3,-0.2 0.925 106.5 52.3 -60.8 -52.1 22.4 11.1 28.1 150 168 A A H X S+ 0 0 35 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.860 110.3 50.3 -45.3 -42.8 25.1 8.6 28.9 151 169 A L H X S+ 0 0 12 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.801 109.7 49.1 -73.8 -30.9 22.4 5.9 28.9 152 170 A V H >< S+ 0 0 3 -4,-1.7 3,-1.1 -3,-0.2 -2,-0.2 0.923 111.0 51.3 -66.4 -45.0 21.1 7.1 25.5 153 171 A D H >< S+ 0 0 71 -4,-3.0 3,-2.4 1,-0.3 4,-0.4 0.865 97.3 66.8 -62.2 -38.5 24.7 7.0 24.2 154 172 A I H >< S+ 0 0 18 -4,-2.2 3,-1.6 1,-0.3 -1,-0.3 0.833 93.0 62.6 -43.9 -37.8 25.2 3.4 25.4 155 173 A Q T << S+ 0 0 37 -3,-1.1 217,-0.6 -4,-0.6 219,-0.3 0.488 88.9 67.9 -74.5 -7.0 22.7 2.4 22.8 156 174 A M T < S+ 0 0 64 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.625 92.2 82.3 -81.0 -16.9 25.0 3.6 20.0 157 175 A D S < S- 0 0 78 -3,-1.6 215,-0.1 -4,-0.4 -3,-0.0 -0.504 100.2 -87.3 -92.2 155.4 27.3 0.8 20.9 158 176 A D > - 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