==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-MAR-11 3AWP . COMPND 2 MOLECULE: FATTY ACID ALPHA-HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR T.FUJISHIRO,O.SHOJI,S.NAGANO,H.SUGIMOTO,Y.SHIRO,Y.WATANABE . 407 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.6 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 0.2 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 . 1 0.2 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 . 18 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 2 1 1 3 0 1 0 0 2 1 1 0 1 2 0 0 0 0 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 9 A G 0 0 93 0, 0.0 29,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 148.5 14.4 -6.6 26.0 2 10 A P - 0 0 100 0, 0.0 2,-0.5 0, 0.0 29,-0.1 -0.343 360.0-107.4 -73.9 155.0 16.2 -8.6 23.2 3 11 A D - 0 0 63 1,-0.1 3,-0.2 27,-0.1 29,-0.2 -0.720 31.0-174.1 -80.3 128.4 20.0 -8.8 22.7 4 12 A E > + 0 0 43 27,-3.1 4,-2.3 -2,-0.5 5,-0.2 0.100 45.5 117.3-114.3 21.4 20.9 -6.7 19.6 5 13 A T H > S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.882 78.5 50.1 -55.7 -42.9 24.6 -7.5 19.4 6 14 A L H > S+ 0 0 141 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.906 109.5 49.0 -66.2 -44.1 24.1 -9.2 16.0 7 15 A S H > S+ 0 0 63 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.888 113.2 48.9 -60.7 -41.4 22.2 -6.3 14.5 8 16 A L H >< S+ 0 0 39 -4,-2.3 3,-1.4 1,-0.2 7,-0.2 0.959 110.8 49.2 -62.3 -51.1 24.8 -3.9 15.7 9 17 A L H 3< S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.785 108.2 55.3 -61.3 -27.2 27.7 -6.0 14.3 10 18 A A H 3< S+ 0 0 67 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.685 129.7 14.3 -76.1 -19.2 25.8 -6.2 10.9 11 19 A D S S+ 0 0 66 -3,-0.4 4,-2.7 373,-0.2 5,-0.3 0.561 90.7 92.6-108.8 -12.0 24.5 3.1 11.2 15 23 A F H X S+ 0 0 13 -4,-2.4 4,-2.1 -7,-0.2 5,-0.2 0.900 91.1 44.1 -53.0 -49.6 22.6 0.9 13.6 16 24 A I H > S+ 0 0 5 -4,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.948 115.7 44.9 -63.7 -50.4 22.1 3.6 16.3 17 25 A S H > S+ 0 0 17 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.871 112.5 52.9 -66.5 -34.0 21.2 6.5 14.0 18 26 A R H X S+ 0 0 99 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.919 112.2 44.4 -65.0 -44.0 18.8 4.2 12.0 19 27 A Q H X S+ 0 0 44 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.901 112.5 52.0 -66.6 -41.8 17.0 3.1 15.2 20 28 A C H X>S+ 0 0 1 -4,-2.8 5,-1.9 1,-0.2 4,-1.2 0.887 108.2 53.1 -55.0 -42.4 17.0 6.8 16.5 21 29 A Q H <5S+ 0 0 155 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.888 108.7 48.7 -62.3 -42.2 15.4 7.8 13.2 22 30 A R H <5S+ 0 0 175 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.829 117.5 40.6 -67.4 -34.0 12.6 5.2 13.6 23 31 A L H <5S- 0 0 110 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.546 103.1-128.5 -92.1 -9.7 11.8 6.3 17.1 24 32 A G T <5S+ 0 0 72 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.915 71.8 109.7 58.1 45.4 12.2 10.0 16.5 25 33 A A S S-A 35 0A 14 3,-2.4 3,-2.0 -2,-0.3 -2,-0.0 -0.997 76.6 -2.8-130.9 136.7 24.7 -5.8 23.8 33 41 A L T 3 S- 0 0 129 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.893 132.2 -59.0 45.9 43.2 26.5 -9.0 25.0 34 42 A L T 3 S+ 0 0 144 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.553 113.8 121.0 68.8 13.3 23.5 -9.4 27.3 35 43 A K E < -A 32 0A 118 -3,-2.0 -3,-2.4 267,-0.0 -1,-0.2 -0.926 69.0-115.7-112.4 126.6 24.1 -6.0 29.0 36 44 A K E -A 31 0A 93 -2,-0.5 267,-0.9 -5,-0.2 2,-0.4 -0.346 40.0-174.3 -58.0 133.7 21.5 -3.1 29.0 37 45 A T E -Ab 30 303A 0 -7,-2.6 -7,-3.3 265,-0.1 2,-0.5 -0.992 23.6-145.8-140.4 125.5 22.9 -0.2 27.0 38 46 A N E -Ab 29 304A 0 265,-2.4 267,-2.4 -2,-0.4 2,-0.5 -0.824 21.7-150.5 -86.7 127.8 21.6 3.3 26.4 39 47 A C E -Ab 28 305A 0 -11,-3.4 -11,-1.8 -2,-0.5 2,-0.3 -0.899 14.5-166.3-105.7 125.6 22.5 4.5 22.9 40 48 A L E +Ab 27 306A 0 265,-3.0 267,-2.9 -2,-0.5 2,-0.3 -0.823 11.0 176.7-117.7 149.6 23.1 8.2 22.4 41 49 A K E + b 0 307A 24 -15,-2.2 4,-0.4 -2,-0.3 3,-0.1 -0.996 38.6 36.2-147.4 144.8 23.3 10.5 19.3 42 50 A G S > S- 0 0 1 265,-0.5 4,-2.3 -2,-0.3 5,-0.1 -0.143 87.1 -69.1 103.0 167.0 23.7 14.2 18.7 43 51 A A H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.849 127.1 50.2 -65.0 -39.6 25.4 17.2 20.2 44 52 A K H > S+ 0 0 130 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.923 113.0 47.4 -66.9 -43.1 23.3 17.5 23.3 45 53 A A H > S+ 0 0 1 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.888 109.5 53.9 -63.0 -39.8 23.9 13.8 24.0 46 54 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.908 104.7 55.7 -62.8 -39.2 27.6 14.1 23.4 47 55 A E H < S+ 0 0 114 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.893 110.9 42.7 -62.5 -38.8 27.8 17.0 26.0 48 56 A I H >< S+ 0 0 9 -4,-1.6 3,-1.8 1,-0.2 -1,-0.2 0.917 109.4 58.1 -72.5 -37.8 26.3 14.8 28.7 49 57 A F H 3< S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.836 106.9 49.8 -57.3 -35.6 28.5 11.8 27.7 50 58 A Y T 3< S+ 0 0 27 -4,-1.9 2,-1.0 -5,-0.2 -1,-0.3 0.395 80.5 110.1 -87.1 4.3 31.5 14.0 28.3 51 59 A D X> - 0 0 44 -3,-1.8 3,-2.0 1,-0.2 4,-1.5 -0.683 54.4-163.5 -79.2 105.0 30.3 15.1 31.7 52 60 A T T 34 S+ 0 0 72 -2,-1.0 -1,-0.2 1,-0.3 28,-0.1 0.508 85.4 66.1 -75.7 -1.3 32.8 13.3 33.9 53 61 A T T 34 S+ 0 0 87 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.595 114.9 31.1 -83.3 -13.2 30.6 13.8 37.0 54 62 A R T <4 S+ 0 0 59 -3,-2.0 234,-2.6 -6,-0.2 235,-0.6 0.578 119.8 49.6-116.3 -17.7 28.1 11.5 35.2 55 63 A F E < -C 287 0A 5 -4,-1.5 2,-0.3 232,-0.3 232,-0.2 -0.985 53.4-176.9-133.1 140.9 30.3 9.1 33.2 56 64 A E E -C 286 0A 72 230,-2.4 230,-2.3 -2,-0.4 23,-0.1 -0.906 16.8-159.2-127.5 155.4 33.3 6.9 33.9 57 65 A R > + 0 0 27 -2,-0.3 3,-2.3 228,-0.2 4,-0.5 0.588 53.5 118.2-105.3 -17.3 35.4 4.7 31.6 58 66 A E T 3 S+ 0 0 120 1,-0.3 20,-0.1 2,-0.1 -2,-0.1 -0.287 91.5 0.4 -60.2 129.9 37.0 2.4 34.2 59 67 A G T 3 S+ 0 0 71 18,-0.3 -1,-0.3 1,-0.1 18,-0.1 0.442 103.5 107.9 75.5 0.4 36.0 -1.2 33.6 60 68 A A < + 0 0 9 -3,-2.3 -2,-0.1 224,-0.1 -1,-0.1 0.697 48.3 96.7 -85.5 -17.0 33.9 -0.3 30.5 61 69 A M S S- 0 0 49 -4,-0.5 5,-0.1 1,-0.1 -2,-0.0 -0.571 79.2-120.3 -81.6 122.2 36.1 -1.6 27.8 62 70 A P >> - 0 0 45 0, 0.0 4,-1.6 0, 0.0 3,-1.2 -0.334 22.2-121.6 -58.7 140.2 35.1 -5.1 26.6 63 71 A V H 3> S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.822 108.9 61.5 -54.6 -35.6 38.0 -7.6 27.1 64 72 A A H 34 S+ 0 0 40 1,-0.2 5,-0.3 2,-0.2 -1,-0.2 0.828 105.0 48.6 -64.7 -30.2 38.2 -8.5 23.3 65 73 A I H X4>S+ 0 0 56 -3,-1.2 5,-2.4 2,-0.2 3,-1.3 0.889 108.1 53.7 -74.0 -41.8 39.1 -4.9 22.5 66 74 A Q H 3<>S+ 0 0 45 -4,-1.6 5,-0.7 1,-0.2 -2,-0.2 0.878 108.4 51.5 -55.3 -36.8 41.7 -4.8 25.3 67 75 A K T 3<5S+ 0 0 87 -4,-2.0 111,-0.3 3,-0.1 -1,-0.2 0.467 129.9 9.5 -84.9 -1.0 43.3 -8.0 23.7 68 76 A T T < 5S+ 0 0 2 -3,-1.3 -3,-0.2 -5,-0.1 -2,-0.1 0.352 128.6 28.6-134.4 -84.5 43.4 -6.4 20.2 69 77 A L T 5S+ 0 0 54 -5,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.848 129.5 15.3 -56.3 -48.5 42.8 -2.8 19.4 70 78 A L T S- 0 0 6 -3,-0.2 3,-1.7 152,-0.1 -1,-0.2 -0.170 71.0 -93.5 -81.8 174.7 46.2 2.4 28.8 75 83 A V G > S+ 0 0 14 1,-0.3 3,-1.8 2,-0.2 12,-0.1 0.775 115.1 71.2 -61.3 -28.6 44.8 5.9 29.1 76 84 A Q G 3 S+ 0 0 53 1,-0.3 -1,-0.3 -6,-0.1 275,-0.1 0.762 97.7 50.9 -61.6 -24.4 41.4 4.9 27.7 77 85 A G G < S+ 0 0 33 -3,-1.7 2,-0.3 -19,-0.1 -1,-0.3 0.282 94.4 97.0 -97.7 8.2 40.6 2.9 30.8 78 86 A L < - 0 0 25 -3,-1.8 2,-0.3 -20,-0.1 -21,-0.1 -0.701 48.3-170.9-100.2 153.3 41.4 5.7 33.3 79 87 A D >> + 0 0 37 -2,-0.3 4,-1.6 -22,-0.1 3,-0.6 -0.870 46.1 1.2-128.8 169.0 39.2 8.3 35.1 80 88 A G H 3> S- 0 0 34 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.103 119.7 -17.4 61.0-149.1 39.7 11.4 37.3 81 89 A E H 3> S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.840 135.9 59.5 -65.7 -28.1 43.0 12.9 38.2 82 90 A T H <> S+ 0 0 74 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.944 110.2 43.4 -61.8 -46.6 44.8 9.6 37.2 83 91 A H H X S+ 0 0 4 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.938 112.2 50.9 -62.4 -48.3 43.4 10.0 33.7 84 92 A R H X S+ 0 0 66 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.901 110.2 50.3 -64.7 -34.1 44.1 13.7 33.4 85 93 A H H X S+ 0 0 66 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.913 114.6 43.4 -65.8 -44.3 47.7 13.1 34.5 86 94 A R H X S+ 0 0 27 -4,-2.0 4,-1.0 -5,-0.2 3,-0.3 0.879 111.1 55.4 -67.2 -37.4 48.2 10.3 31.9 87 95 A K H X S+ 0 0 5 -4,-3.1 4,-2.5 1,-0.2 3,-0.5 0.882 99.4 61.0 -66.2 -35.8 46.4 12.3 29.3 88 96 A Q H X S+ 0 0 96 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.880 96.6 61.1 -56.4 -38.5 48.8 15.3 29.8 89 97 A M H < S+ 0 0 18 -4,-1.0 4,-0.4 -3,-0.3 -1,-0.2 0.905 109.6 40.3 -55.1 -46.0 51.6 12.9 28.7 90 98 A F H >< S+ 0 0 6 -4,-1.0 3,-1.4 -3,-0.5 4,-0.4 0.908 112.8 54.6 -69.9 -42.3 50.0 12.4 25.3 91 99 A M H >< S+ 0 0 13 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.877 99.0 62.1 -63.3 -37.0 49.0 16.1 24.9 92 100 A G T 3< S+ 0 0 46 -4,-2.5 3,-0.4 1,-0.3 -1,-0.3 0.700 96.5 61.6 -60.9 -18.9 52.6 17.3 25.5 93 101 A L T < S+ 0 0 10 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.3 0.693 88.1 76.7 -75.1 -18.8 53.7 15.4 22.4 94 102 A M < + 0 0 22 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.1 -0.103 56.3 145.9-100.1 36.1 51.4 17.5 20.1 95 103 A T > - 0 0 59 -3,-0.4 4,-2.9 -2,-0.3 5,-0.3 -0.305 61.5-113.3 -66.4 151.1 53.2 20.8 19.6 96 104 A P H > S+ 0 0 108 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.902 118.6 50.5 -51.3 -43.0 52.8 22.5 16.2 97 105 A E H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.917 112.3 45.5 -61.0 -46.4 56.6 21.9 15.6 98 106 A R H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 112.1 51.2 -69.0 -37.3 56.4 18.2 16.5 99 107 A V H X S+ 0 0 13 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.937 110.6 49.6 -63.0 -44.9 53.2 17.7 14.4 100 108 A R H X S+ 0 0 133 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.912 107.1 55.8 -58.2 -43.8 54.9 19.3 11.4 101 109 A A H X S+ 0 0 17 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.904 108.9 46.1 -57.8 -43.6 58.0 17.1 11.9 102 110 A L H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.918 111.3 52.1 -65.8 -43.9 55.8 13.9 11.7 103 111 A A H X S+ 0 0 12 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.898 110.2 49.5 -57.5 -42.0 54.0 15.3 8.6 104 112 A Q H X S+ 0 0 120 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.910 110.3 49.7 -64.5 -42.0 57.4 15.9 6.9 105 113 A L H X S+ 0 0 62 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.901 110.8 50.7 -64.2 -40.7 58.6 12.4 7.7 106 114 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.918 108.0 51.1 -65.3 -44.8 55.4 11.0 6.3 107 115 A E H X S+ 0 0 56 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.936 111.3 49.5 -54.9 -46.9 55.7 12.9 3.1 108 116 A A H X S+ 0 0 53 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.900 112.2 47.0 -58.8 -46.0 59.3 11.7 2.7 109 117 A E H X S+ 0 0 32 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.869 110.8 52.0 -65.2 -37.9 58.3 8.1 3.3 110 118 A W H >X S+ 0 0 0 -4,-2.8 4,-1.1 2,-0.2 3,-0.7 0.972 111.6 46.7 -62.4 -51.0 55.3 8.3 0.9 111 119 A R H >< S+ 0 0 96 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.879 110.6 53.1 -57.7 -40.8 57.7 9.7 -1.9 112 120 A R H 3< S+ 0 0 139 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.779 108.5 51.8 -62.3 -30.0 60.3 6.9 -1.1 113 121 A A H S+ 0 0 66 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.901 107.3 50.4 -54.4 -39.9 59.0 3.8 -7.1 116 124 A G H > S+ 0 0 20 -3,-0.4 4,-1.5 -4,-0.4 -2,-0.2 0.872 109.1 50.9 -59.9 -40.8 57.9 0.4 -5.7 117 125 A W H X S+ 0 0 8 -4,-1.5 4,-0.9 -3,-0.4 286,-0.3 0.871 109.8 50.3 -64.3 -39.3 54.3 1.3 -6.5 118 126 A T H >< S+ 0 0 68 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.927 109.8 50.6 -62.6 -46.7 55.3 2.1 -10.1 119 127 A R H 3< S+ 0 0 200 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.784 106.2 55.6 -63.7 -30.3 57.2 -1.2 -10.4 120 128 A K H 3< S- 0 0 128 -4,-1.5 2,-2.0 1,-0.2 -1,-0.2 0.757 89.4-156.0 -72.6 -25.7 54.2 -3.1 -9.1 121 129 A G S << S+ 0 0 34 -4,-0.9 281,-1.3 -3,-0.7 282,-0.5 -0.487 73.8 41.9 82.4 -68.4 52.0 -1.6 -11.9 122 130 A E E S+E 401 0B 95 -2,-2.0 2,-0.3 279,-0.2 279,-0.2 -0.934 72.9 179.0-112.6 134.9 48.7 -2.1 -10.0 123 131 A I E -E 400 0B 4 277,-2.5 277,-2.6 -2,-0.4 2,-0.8 -0.943 35.0-128.9-129.9 154.7 48.4 -1.4 -6.2 124 132 A V E > -E 399 0B 43 -2,-0.3 4,-1.5 275,-0.2 275,-0.2 -0.924 28.8-152.6 -94.8 109.4 45.7 -1.6 -3.5 125 133 A F H > S+ 0 0 0 273,-2.8 4,-0.7 -2,-0.8 3,-0.5 0.903 90.3 52.1 -57.0 -45.1 46.2 1.9 -2.2 126 134 A Y H >> S+ 0 0 1 271,-2.2 3,-1.4 272,-0.3 4,-0.6 0.934 108.4 51.7 -55.1 -46.2 45.0 1.1 1.4 127 135 A D H 34 S+ 0 0 75 1,-0.3 4,-0.4 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115.2 47.6 -60.7 -47.4 61.3 7.6 13.4 140 148 A W H 3<5S+ 0 0 4 -4,-2.6 64,-0.3 1,-0.2 -1,-0.2 0.899 113.0 48.1 -57.3 -44.6 59.3 10.5 14.9 141 149 A A H 3<5S- 0 0 0 -4,-2.9 64,-2.6 62,-0.2 65,-0.4 0.468 115.8-111.1 -81.1 -3.5 58.6 8.6 18.1 142 150 A G T <<5 + 0 0 16 -3,-1.0 -3,-0.2 -4,-0.6 57,-0.1 0.807 69.0 145.1 76.2 29.9 62.3 7.6 18.6 143 151 A V < - 0 0 6 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.895 49.5-129.2-100.6 113.7 61.5 3.9 18.0 144 152 A P + 0 0 64 0, 0.0 -5,-0.0 0, 0.0 44,-0.0 -0.356 29.7 179.4 -62.3 142.3 64.3 2.1 16.1 145 153 A L - 0 0 35 -10,-0.0 5,-0.1 -6,-0.0 -6,-0.1 -0.753 20.5-140.8-149.1 95.2 63.0 0.2 13.1 146 154 A P >> - 0 0 60 0, 0.0 3,-2.2 0, 0.0 4,-1.0 -0.274 24.5-118.3 -57.9 142.6 65.4 -1.7 10.9 147 155 A D G >4 S+ 0 0 107 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.865 113.3 53.3 -48.0 -43.9 64.7 -1.5 7.2 148 156 A D G 34 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.473 111.4 46.1 -78.7 0.4 64.1 -5.3 7.0 149 157 A E G <> S+ 0 0 77 -3,-2.2 4,-2.6 2,-0.1 5,-0.3 0.505 86.2 87.8-112.7 -12.8 61.6 -5.3 9.8 150 158 A A H S+ 0 0 32 -4,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.917 113.1 43.8 -56.9 -50.0 57.1 -4.4 6.6 152 160 A N H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.897 114.1 49.0 -65.6 -43.5 56.4 -6.9 9.3 153 161 A R H X S+ 0 0 17 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.884 109.1 53.6 -64.6 -38.4 55.9 -4.3 12.1 154 162 A A H X S+ 0 0 3 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.904 108.1 51.3 -62.7 -39.6 53.5 -2.4 9.8 155 163 A G H X S+ 0 0 29 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.874 110.3 48.6 -63.9 -37.4 51.5 -5.5 9.3 156 164 A E H X S+ 0 0 9 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.923 112.2 47.5 -68.7 -44.5 51.3 -6.1 13.1 157 165 A L H >X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 3,-0.5 0.929 111.5 51.8 -63.0 -42.4 50.2 -2.6 13.8 158 166 A R H >X S+ 0 0 49 -4,-2.5 4,-3.1 1,-0.2 3,-0.8 0.916 104.5 57.3 -56.5 -46.6 47.6 -2.8 11.0 159 167 A A H 3X S+ 0 0 1 -4,-2.0 4,-1.3 1,-0.2 5,-0.5 0.815 95.7 65.2 -57.4 -32.0 46.2 -6.0 12.5 160 168 A L H << S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.884 122.2 15.5 -60.5 -39.9 45.5 -4.3 15.8 161 169 A F H << S+ 0 0 18 -4,-0.9 4,-0.3 -3,-0.8 -2,-0.2 0.674 130.4 46.6-105.0 -22.2 42.9 -2.0 14.3 162 170 A D H < S+ 0 0 1 -4,-3.1 -3,-0.2 -5,-0.2 228,-0.2 0.712 122.4 31.1 -98.7 -24.5 42.1 -3.6 10.9 163 171 A A S >< S+ 0 0 0 -4,-1.3 3,-1.3 -5,-0.4 11,-0.3 0.484 97.0 85.5-110.0 -11.7 41.6 -7.2 12.0 164 172 A A T 3 S+ 0 0 15 -5,-0.5 -2,-0.1 1,-0.3 -3,-0.1 0.920 95.0 43.0 -56.6 -46.8 40.3 -6.6 15.6 165 173 A G T 3 S+ 0 0 42 225,-0.4 2,-0.5 -4,-0.3 -1,-0.3 0.090 87.6 116.8 -92.0 22.7 36.7 -6.3 14.4 166 174 A S < - 0 0 30 -3,-1.3 2,-1.8 2,-0.1 5,-0.4 -0.817 61.1-144.3 -96.0 127.4 36.8 -9.2 11.9 167 175 A A S S+ 0 0 112 -2,-0.5 -2,-0.1 3,-0.1 -3,-0.1 -0.473 76.9 65.5 -85.0 65.1 34.5 -12.1 12.7 168 176 A S S >> S- 0 0 47 -2,-1.8 3,-2.1 -5,-0.2 4,-0.6 -0.913 111.5 -63.7-165.8 176.0 37.1 -14.6 11.4 169 177 A P H 3> S+ 0 0 109 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.659 119.2 79.1 -51.0 -18.0 40.6 -16.1 12.0 170 178 A R H 3> S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.864 85.1 58.3 -60.2 -35.3 41.7 -12.5 11.4 171 179 A H H <> S+ 0 0 36 -3,-2.1 4,-2.2 -5,-0.4 -1,-0.2 0.865 103.3 52.5 -62.5 -35.8 40.7 -11.6 14.9 172 180 A L H X S+ 0 0 117 -4,-0.6 4,-2.1 -3,-0.3 -1,-0.2 0.869 107.4 51.5 -67.4 -35.6 43.1 -14.3 16.1 173 181 A W H X S+ 0 0 103 -4,-1.5 4,-3.2 2,-0.2 -2,-0.2 0.906 107.3 53.6 -66.5 -39.2 45.8 -12.7 14.1 174 182 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 -11,-0.3 -2,-0.2 0.919 108.5 50.1 -59.7 -43.2 44.9 -9.3 15.8 175 183 A R H X S+ 0 0 76 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.912 112.9 44.8 -61.9 -43.5 45.3 -11.0 19.2 176 184 A L H X S+ 0 0 71 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.926 111.1 53.6 -66.8 -43.8 48.7 -12.4 18.3 177 185 A A H X S+ 0 0 0 -4,-3.2 4,-3.3 1,-0.2 5,-0.3 0.906 107.5 52.4 -55.3 -42.1 49.8 -9.1 16.8 178 186 A R H X S+ 0 0 8 -4,-2.4 4,-2.7 -111,-0.3 5,-0.3 0.930 109.3 48.2 -61.3 -45.8 48.9 -7.4 20.1 179 187 A R H X S+ 0 0 148 -4,-2.0 4,-1.7 -112,-0.2 -1,-0.2 0.934 116.6 44.2 -60.3 -42.2 51.0 -9.9 22.1 180 188 A R H X S+ 0 0 115 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.910 114.1 47.4 -69.3 -45.6 53.9 -9.3 19.7 181 189 A V H X S+ 0 0 0 -4,-3.3 4,-3.1 1,-0.2 5,-0.3 0.902 111.4 51.3 -65.1 -41.4 53.6 -5.5 19.5 182 190 A D H X S+ 0 0 16 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.918 111.8 47.3 -60.7 -42.1 53.3 -5.2 23.3 183 191 A A H X S+ 0 0 43 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.906 114.0 47.7 -66.6 -42.3 56.5 -7.3 23.7 184 192 A W H X S+ 0 0 12 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.956 113.1 46.7 -61.2 -53.4 58.3 -5.3 21.1 185 193 A A H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.868 110.2 54.8 -58.5 -36.6 57.3 -1.9 22.6 186 194 A K H X S+ 0 0 76 -4,-2.2 4,-3.1 -5,-0.3 -1,-0.2 0.920 105.4 51.7 -65.1 -42.3 58.2 -3.2 26.0 187 195 A R H X S+ 0 0 131 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.877 109.9 51.1 -59.0 -36.9 61.8 -4.0 24.8 188 196 A I H X S+ 0 0 12 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.955 111.5 45.7 -64.1 -50.0 61.9 -0.4 23.4 189 197 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.932 113.9 50.0 -58.7 -47.2 60.9 1.1 26.8 190 198 A E H X S+ 0 0 92 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.897 110.8 49.5 -57.3 -42.4 63.4 -1.2 28.6 191 199 A G H X>S+ 0 0 6 -4,-2.4 5,-2.0 2,-0.2 6,-1.6 0.883 110.1 50.1 -65.7 -41.1 66.2 -0.2 26.3 192 200 A I H ><5S+ 0 0 7 -4,-2.4 3,-0.7 4,-0.2 -2,-0.2 0.954 112.5 46.9 -61.7 -48.2 65.5 3.5 26.7 193 201 A R H 3<5S+ 0 0 56 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.838 114.0 47.7 -63.9 -33.4 65.5 3.1 30.5 194 202 A A H 3<5S- 0 0 83 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.611 113.7-118.8 -81.7 -14.4 68.7 1.0 30.4 195 203 A G T <<5S+ 0 0 63 -4,-1.1 -3,-0.2 -3,-0.7 -4,-0.1 0.625 85.8 112.9 84.7 14.1 70.4 3.6 28.1 196 204 A S S - 0 0 37 1,-0.1 3,-2.3 -2,-0.1 6,-0.4 -0.294 21.6-113.6 -65.9 148.4 65.7 12.0 21.9 201 209 A S T 3 S+ 0 0 100 1,-0.3 -1,-0.1 5,-0.1 -2,-0.1 0.665 115.7 52.6 -51.9 -23.0 64.2 14.1 24.8 202 210 A G T 3 S+ 0 0 45 4,-0.1 -1,-0.3 5,-0.0 2,-0.2 0.462 90.6 101.5 -91.2 0.2 61.5 15.4 22.4 203 211 A T S <> S- 0 0 18 -3,-2.3 4,-2.6 1,-0.1 -62,-0.2 -0.500 76.6-121.3 -95.0 155.5 60.2 12.1 21.2 204 212 A A H > S+ 0 0 1 -64,-0.3 4,-2.6 1,-0.2 5,-0.3 0.881 111.2 51.4 -59.0 -43.6 57.1 10.0 22.2 205 213 A A H > S+ 0 0 0 -64,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.911 112.0 47.7 -66.6 -38.4 59.1 6.9 23.3 206 214 A Y H > S+ 0 0 84 -65,-0.4 4,-2.0 -6,-0.4 -2,-0.2 0.946 112.7 48.4 -60.8 -49.7 61.3 9.1 25.5 207 215 A A H X S+ 0 0 30 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.896 117.3 42.0 -58.8 -42.3 58.3 10.9 27.0 208 216 A I H >< S+ 0 0 0 -4,-2.6 3,-0.6 2,-0.2 11,-0.3 0.910 112.5 52.2 -75.7 -42.2 56.5 7.7 27.7 209 217 A A H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.835 120.0 35.8 -61.0 -32.0 59.5 5.7 29.0 210 218 A W H 3< S+ 0 0 92 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.414 84.9 128.3-107.7 3.3 60.3 8.5 31.5 211 219 A H << - 0 0 23 -4,-0.7 8,-0.8 -3,-0.6 2,-0.4 -0.307 45.9-151.2 -57.2 136.3 56.8 9.6 32.4 212 220 A R B -G 218 0C 115 6,-0.2 6,-0.2 1,-0.1 -2,-0.1 -0.948 10.2-138.9-110.9 134.3 56.2 9.6 36.2 213 221 A D > - 0 0 46 4,-3.0 3,-2.1 -2,-0.4 -1,-0.1 -0.013 44.1 -75.3 -77.5-169.1 52.7 9.0 37.5 214 222 A R T 3 S+ 0 0 132 1,-0.3 -1,-0.1 2,-0.1 -132,-0.0 0.592 134.4 53.2 -70.6 -8.0 51.1 10.9 40.4 215 223 A H T 3 S- 0 0 143 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.161 120.9-107.2-105.7 14.9 53.2 9.0 42.9 216 224 A D S < S+ 0 0 105 -3,-2.1 2,-0.4 1,-0.2 -2,-0.1 0.761 77.9 135.9 63.5 28.9 56.4 9.9 41.1 217 225 A D - 0 0 93 1,-0.0 -4,-3.0 3,-0.0 -1,-0.2 -0.877 58.8-115.2-108.2 140.6 56.7 6.3 39.8 218 226 A L B -G 212 0C 54 -2,-0.4 -6,-0.2 -6,-0.2 -8,-0.1 -0.325 42.1 -99.1 -60.0 148.9 57.6 5.2 36.3 219 227 A L - 0 0 6 -8,-0.8 -1,-0.1 -11,-0.3 -8,-0.0 -0.418 47.9 -96.3 -60.9 145.4 54.9 3.4 34.5 220 228 A S > - 0 0 65 1,-0.1 4,-2.8 -2,-0.1 3,-0.3 -0.391 39.3-108.5 -61.1 153.1 55.4 -0.3 34.6 221 229 A P H > S+ 0 0 44 0, 0.0 4,-2.2 0, 0.0 -32,-0.1 0.862 118.9 50.9 -57.5 -36.7 57.1 -1.5 31.4 222 230 A H H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.901 111.7 46.4 -65.2 -42.3 54.0 -3.2 30.1 223 231 A V H > S+ 0 0 27 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.925 112.5 50.1 -66.7 -43.0 51.8 -0.1 30.6 224 232 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.902 110.2 52.2 -59.0 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