==== 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 3AWQ . 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) . 17553.0 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 . 32 7.9 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 . 15 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 40.0 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 1 1 1 3 0 1 0 0 2 1 1 0 1 2 0 0 0 0 0 0 0 2 0 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 0 1 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 91 0, 0.0 2,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 176.7 13.7 -6.3 25.8 2 10 A P - 0 0 97 0, 0.0 2,-0.4 0, 0.0 29,-0.2 -0.367 360.0-103.1 -76.1 156.0 15.5 -8.6 23.2 3 11 A D - 0 0 62 1,-0.1 3,-0.2 27,-0.1 29,-0.2 -0.671 32.8-174.3 -75.7 128.2 19.3 -8.8 22.7 4 12 A E > + 0 0 44 27,-3.3 4,-2.4 -2,-0.4 5,-0.2 0.066 44.9 118.4-115.4 24.3 20.2 -6.8 19.6 5 13 A T H > S+ 0 0 20 1,-0.2 4,-2.9 26,-0.2 5,-0.2 0.913 78.6 50.1 -56.4 -47.5 23.9 -7.7 19.4 6 14 A L H > S+ 0 0 143 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 109.9 49.9 -60.1 -42.7 23.5 -9.4 16.0 7 15 A S H > S+ 0 0 62 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.900 113.2 47.0 -62.5 -42.1 21.5 -6.4 14.6 8 16 A L H >< S+ 0 0 40 -4,-2.4 3,-1.1 1,-0.2 7,-0.2 0.951 111.1 50.6 -63.1 -49.6 24.2 -4.0 15.8 9 17 A L H 3< S+ 0 0 106 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.810 108.7 52.6 -61.1 -31.5 27.1 -6.2 14.4 10 18 A A H 3< S+ 0 0 71 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.680 128.6 19.5 -75.3 -20.4 25.4 -6.4 11.0 11 19 A D S S+ 0 0 69 -3,-0.4 4,-2.6 373,-0.2 5,-0.3 0.540 89.3 92.7-114.5 -10.7 24.0 2.9 11.2 15 23 A F H X S+ 0 0 14 -4,-2.5 4,-2.0 -7,-0.2 5,-0.2 0.909 92.3 44.9 -52.3 -48.8 22.0 0.7 13.6 16 24 A I H > S+ 0 0 6 -4,-0.2 4,-2.5 -5,-0.2 -1,-0.2 0.939 115.2 44.1 -64.6 -51.6 21.6 3.4 16.2 17 25 A S H > S+ 0 0 28 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.854 112.6 53.9 -66.1 -32.4 20.6 6.3 13.9 18 26 A R H X S+ 0 0 99 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.895 111.9 44.3 -65.1 -41.2 18.2 4.0 12.0 19 27 A Q H X S+ 0 0 45 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.877 112.5 52.3 -69.8 -38.9 16.5 3.1 15.3 20 28 A C H X>S+ 0 0 1 -4,-2.5 5,-1.9 2,-0.2 4,-0.9 0.890 108.0 51.1 -58.7 -45.0 16.5 6.7 16.4 21 29 A Q H <5S+ 0 0 157 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.892 110.1 50.7 -61.5 -41.8 14.8 7.8 13.2 22 30 A R H <5S+ 0 0 162 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.847 116.4 39.5 -63.0 -38.3 12.2 5.2 13.6 23 31 A L H <5S- 0 0 107 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.460 104.1-127.0 -93.1 -4.0 11.4 6.2 17.2 24 32 A G T <5S+ 0 0 73 -4,-0.9 2,-0.3 -3,-0.4 -3,-0.2 0.862 73.8 105.8 56.4 41.1 11.7 10.0 16.5 25 33 A A S S+A 35 0A 12 3,-2.2 3,-3.0 -2,-0.3 -2,-0.0 -0.988 77.0 0.5-130.5 142.5 24.0 -6.0 23.8 33 41 A L T 3 S- 0 0 110 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.888 131.3 -63.0 45.6 40.1 25.9 -9.0 25.0 34 42 A L T 3 S+ 0 0 135 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.425 112.2 122.4 67.0 1.7 22.9 -9.3 27.4 35 43 A K E < -A 32 0A 125 -3,-3.0 -3,-2.2 1,-0.0 -1,-0.2 -0.830 69.5-116.1 -96.0 128.0 23.7 -5.9 29.0 36 44 A K E -A 31 0A 101 -2,-0.5 267,-0.9 -5,-0.2 2,-0.4 -0.404 41.3-171.6 -58.0 131.5 21.0 -3.2 29.1 37 45 A T E -Ab 30 303A 0 -7,-2.8 -7,-3.3 265,-0.1 2,-0.6 -0.994 23.5-145.5-137.0 126.0 22.4 -0.3 27.0 38 46 A N E -Ab 29 304A 0 265,-2.5 267,-2.5 -2,-0.4 2,-0.5 -0.828 21.0-151.8 -85.7 126.4 21.2 3.3 26.4 39 47 A C E -Ab 28 305A 0 -11,-3.4 -11,-1.9 -2,-0.6 2,-0.3 -0.898 15.3-171.1-102.7 127.0 22.1 4.4 22.9 40 48 A L E +Ab 27 306A 0 265,-3.0 267,-2.8 -2,-0.5 2,-0.3 -0.839 9.0 177.0-121.2 151.6 22.6 8.1 22.4 41 49 A K E + b 0 307A 26 -15,-1.8 4,-0.4 -2,-0.3 3,-0.1 -0.992 37.8 35.3-152.2 144.8 23.1 10.3 19.3 42 50 A G S > S- 0 0 1 265,-0.5 4,-2.2 -2,-0.3 269,-0.1 -0.199 89.1 -62.7 100.6 172.1 23.5 14.0 18.5 43 51 A A H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.855 127.6 48.4 -66.4 -42.8 25.1 17.1 20.1 44 52 A K H > S+ 0 0 128 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 113.1 47.9 -67.2 -40.8 23.1 17.3 23.3 45 53 A A H > S+ 0 0 1 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.889 109.4 54.3 -65.4 -38.5 23.6 13.6 24.0 46 54 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.902 104.9 55.0 -60.7 -40.2 27.3 14.0 23.3 47 55 A E H < S+ 0 0 111 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.901 111.9 41.8 -64.2 -40.7 27.5 16.8 25.9 48 56 A I H >< S+ 0 0 10 -4,-1.7 3,-1.6 1,-0.2 -1,-0.2 0.896 110.1 57.9 -72.8 -34.2 26.0 14.7 28.6 49 57 A F H 3< S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.854 106.8 50.4 -60.7 -35.5 28.1 11.7 27.6 50 58 A Y T 3< S+ 0 0 26 -4,-1.9 2,-1.0 -5,-0.2 -1,-0.3 0.364 80.1 108.8 -85.4 4.1 31.2 13.8 28.2 51 59 A D X> - 0 0 45 -3,-1.6 3,-2.0 1,-0.2 4,-1.3 -0.719 54.5-164.3 -82.2 104.8 30.1 14.9 31.6 52 60 A T T 34 S+ 0 0 68 -2,-1.0 -1,-0.2 1,-0.3 28,-0.1 0.527 83.9 68.6 -75.6 -2.9 32.6 13.0 33.8 53 61 A T T 34 S+ 0 0 87 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.612 114.7 29.8 -80.3 -11.6 30.5 13.6 36.9 54 62 A R T <4 S+ 0 0 56 -3,-2.0 234,-2.4 1,-0.2 235,-0.5 0.546 119.7 51.6-120.6 -15.0 28.0 11.3 35.3 55 63 A F E < -C 287 0A 4 -4,-1.3 2,-0.3 232,-0.3 232,-0.2 -0.988 53.1-176.9-133.6 141.9 30.1 8.9 33.2 56 64 A E E -C 286 0A 73 230,-2.3 230,-2.5 -2,-0.4 23,-0.1 -0.916 17.0-157.2-129.2 153.9 33.1 6.7 33.8 57 65 A R >> + 0 0 30 -2,-0.3 3,-2.5 228,-0.2 4,-0.5 0.659 52.6 119.6-102.6 -21.6 35.2 4.5 31.4 58 66 A E T 34 S- 0 0 126 1,-0.3 20,-0.1 2,-0.1 -2,-0.1 -0.213 94.4 -5.3 -54.4 124.7 36.7 2.0 33.9 59 67 A G T 34 S+ 0 0 62 18,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.457 102.4 114.5 73.5 2.8 35.6 -1.5 32.9 60 68 A A T <4 + 0 0 8 -3,-2.5 -2,-0.1 224,-0.1 225,-0.1 0.881 52.6 76.9 -75.6 -41.2 33.2 -0.3 30.2 61 69 A M S < S- 0 0 53 -4,-0.5 5,-0.2 223,-0.1 -2,-0.1 -0.582 94.1-102.4 -78.7 128.4 34.8 -1.7 27.0 62 70 A P > - 0 0 50 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.176 32.0-119.2 -46.0 132.8 34.3 -5.4 26.3 63 71 A V T 3> S+ 0 0 90 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.647 108.3 73.1 -54.2 -22.9 37.5 -7.3 27.2 64 72 A A T 34 S+ 0 0 34 1,-0.2 -1,-0.3 2,-0.2 5,-0.3 0.757 94.1 58.3 -61.8 -23.0 38.0 -8.6 23.6 65 73 A I T X4>S+ 0 0 38 -3,-2.4 5,-2.3 2,-0.2 6,-0.9 0.806 100.8 54.1 -74.5 -32.2 39.0 -5.0 22.9 66 74 A Q T 345S+ 0 0 62 -4,-0.4 5,-0.5 -3,-0.4 -2,-0.2 0.925 105.7 53.0 -63.6 -45.1 41.8 -5.2 25.5 67 75 A K T 3<5S+ 0 0 89 -4,-1.7 111,-0.3 4,-0.1 -1,-0.2 0.524 132.6 3.0 -69.7 -1.3 43.2 -8.3 23.8 68 76 A T T < 5S+ 0 0 2 -3,-0.8 -3,-0.2 -5,-0.1 -2,-0.1 0.386 125.2 32.7-142.9 -80.0 43.3 -6.3 20.5 69 77 A L T 5S+ 0 0 33 -5,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.887 127.4 15.4 -64.6 -49.5 42.4 -2.7 19.8 70 78 A F S - 0 0 4 -3,-0.3 3,-1.7 152,-0.1 -1,-0.2 -0.201 69.6 -91.5 -83.4 177.2 46.0 2.3 28.8 75 83 A V G > S+ 0 0 15 1,-0.3 3,-1.8 2,-0.2 12,-0.1 0.756 115.3 71.7 -61.2 -29.0 44.5 5.8 29.1 76 84 A Q G 3 S+ 0 0 45 1,-0.3 -1,-0.3 -6,-0.1 275,-0.1 0.791 100.1 48.0 -58.3 -29.5 41.1 4.8 27.4 77 85 A G G < S+ 0 0 35 -3,-1.7 -1,-0.3 -7,-0.1 2,-0.2 0.322 94.8 98.8 -94.5 6.8 40.2 2.8 30.6 78 86 A L < - 0 0 31 -3,-1.8 2,-0.3 -4,-0.1 -21,-0.2 -0.621 48.2-169.4 -99.9 153.6 41.1 5.6 33.1 79 87 A D >> - 0 0 32 -2,-0.2 4,-1.6 -22,-0.1 3,-0.6 -0.896 44.8 -1.4-129.1 164.4 38.9 8.1 35.0 80 88 A G H 3> S- 0 0 33 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.115 119.4 -16.1 66.4-151.9 39.3 11.2 37.1 81 89 A E H 3> S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.846 136.0 58.4 -60.4 -34.0 42.6 12.7 38.2 82 90 A T H <> S+ 0 0 71 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.946 110.1 44.5 -59.7 -47.3 44.4 9.4 37.2 83 91 A H H X S+ 0 0 4 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.933 112.0 50.4 -60.8 -47.8 43.1 9.8 33.6 84 92 A R H X S+ 0 0 76 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.893 109.9 50.6 -66.4 -34.5 43.8 13.5 33.4 85 93 A H H X S+ 0 0 69 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.918 114.5 43.5 -66.3 -42.1 47.4 13.0 34.5 86 94 A R H X S+ 0 0 27 -4,-2.0 4,-1.0 -5,-0.2 3,-0.4 0.881 110.7 56.2 -67.8 -40.0 47.9 10.2 31.9 87 95 A K H >X S+ 0 0 5 -4,-3.1 4,-2.4 1,-0.2 3,-0.6 0.890 98.9 60.7 -62.0 -38.3 46.1 12.3 29.2 88 96 A Q H 3X S+ 0 0 104 -4,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.850 96.5 61.4 -56.8 -37.1 48.5 15.2 29.7 89 97 A M H 3< S+ 0 0 17 -4,-0.9 4,-0.4 -3,-0.4 -1,-0.3 0.903 109.1 40.9 -56.0 -45.6 51.4 12.9 28.7 90 98 A F H X< S+ 0 0 7 -4,-1.0 3,-1.3 -3,-0.6 4,-0.4 0.900 112.6 54.3 -70.0 -41.6 49.8 12.4 25.2 91 99 A M H >< S+ 0 0 13 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.864 98.8 63.1 -62.8 -37.3 48.7 16.1 24.8 92 100 A G T 3< S+ 0 0 50 -4,-2.3 3,-0.4 1,-0.3 -1,-0.3 0.725 96.0 60.7 -58.4 -22.7 52.3 17.2 25.4 93 101 A L T < S+ 0 0 10 -3,-1.3 2,-0.4 -4,-0.4 -1,-0.3 0.697 88.2 77.9 -73.3 -20.5 53.4 15.4 22.3 94 102 A M < + 0 0 24 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.1 -0.106 55.6 146.2 -95.5 38.8 51.1 17.4 20.0 95 103 A T > - 0 0 55 -2,-0.4 4,-3.0 -3,-0.4 5,-0.3 -0.361 61.2-113.9 -68.9 152.7 52.9 20.8 19.5 96 104 A P H > S+ 0 0 96 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.905 119.4 50.4 -52.1 -40.5 52.5 22.5 16.1 97 105 A E H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.905 111.8 44.8 -65.6 -45.1 56.2 21.9 15.5 98 106 A R H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 113.2 51.1 -69.4 -35.6 56.1 18.2 16.4 99 107 A V H X S+ 0 0 12 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.947 110.3 49.7 -65.1 -45.1 52.9 17.6 14.3 100 108 A R H X S+ 0 0 132 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.920 107.5 55.2 -56.9 -45.0 54.6 19.3 11.4 101 109 A A H X S+ 0 0 25 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.910 108.8 46.9 -56.7 -45.0 57.6 17.1 11.8 102 110 A L H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.909 110.6 52.2 -64.9 -43.3 55.5 13.9 11.6 103 111 A A H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.906 110.4 49.2 -55.8 -42.8 53.6 15.3 8.5 104 112 A Q H X S+ 0 0 116 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.915 110.3 49.8 -65.1 -42.7 57.0 15.9 6.8 105 113 A L H X S+ 0 0 59 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.876 110.7 51.0 -62.8 -38.1 58.3 12.4 7.7 106 114 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.925 107.9 50.7 -68.2 -43.9 55.1 10.9 6.2 107 115 A E H X S+ 0 0 56 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.927 111.5 49.9 -54.1 -46.6 55.4 12.9 3.0 108 116 A A H X S+ 0 0 52 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.909 112.2 46.3 -59.3 -46.6 59.0 11.6 2.7 109 117 A E H X S+ 0 0 31 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.865 111.8 51.2 -65.7 -38.8 57.9 8.0 3.3 110 118 A W H >X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 3,-0.7 0.971 111.8 47.0 -59.3 -52.5 55.0 8.3 0.8 111 119 A R H 3< S+ 0 0 95 -4,-2.9 3,-0.4 1,-0.3 -2,-0.2 0.888 111.1 53.1 -59.0 -39.6 57.5 9.7 -1.9 112 120 A R H 3< S+ 0 0 140 -4,-2.3 4,-0.3 1,-0.2 -1,-0.3 0.794 108.8 49.7 -61.5 -32.2 59.9 6.8 -1.1 113 121 A A H XX S+ 0 0 25 -4,-1.4 4,-1.5 -3,-0.7 3,-0.5 0.691 89.6 82.0 -82.4 -23.8 57.2 4.2 -1.6 114 122 A V H 3X S+ 0 0 2 -4,-1.3 4,-2.6 -3,-0.4 3,-0.4 0.896 83.9 57.1 -53.6 -47.6 56.0 5.4 -4.9 115 123 A P H 3> S+ 0 0 65 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.895 107.1 51.1 -55.3 -37.5 58.7 3.7 -7.1 116 124 A G H <> S+ 0 0 21 -3,-0.5 4,-1.3 -4,-0.3 -2,-0.2 0.869 109.7 50.0 -61.0 -39.7 57.6 0.4 -5.6 117 125 A W H X S+ 0 0 5 -4,-1.5 4,-0.9 -3,-0.4 286,-0.3 0.893 109.1 51.1 -65.9 -43.1 54.0 1.2 -6.5 118 126 A T H >< S+ 0 0 64 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.909 109.0 52.0 -58.6 -44.9 54.9 2.1 -10.1 119 127 A R H 3< S+ 0 0 196 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.775 104.6 55.4 -65.7 -30.4 56.8 -1.2 -10.5 120 128 A K H 3< S- 0 0 126 -4,-1.3 2,-1.1 -5,-0.1 -1,-0.2 0.729 91.8-152.0 -72.3 -24.3 53.8 -3.2 -9.3 121 129 A G S << S+ 0 0 28 -4,-0.9 281,-2.2 -3,-0.7 2,-0.3 -0.073 75.7 39.6 78.5 -38.9 51.7 -1.6 -12.1 122 130 A E E S-E 401 0B 94 -2,-1.1 2,-0.3 279,-0.2 279,-0.2 -0.994 71.9-178.2-140.5 137.0 48.5 -2.0 -10.0 123 131 A I E -E 400 0B 5 277,-2.5 277,-2.4 -2,-0.3 2,-0.8 -0.949 34.4-127.1-133.3 154.8 48.0 -1.4 -6.2 124 132 A V E > -E 399 0B 43 -2,-0.3 4,-1.4 275,-0.2 3,-0.3 -0.922 31.0-152.5 -94.3 108.6 45.4 -1.7 -3.5 125 133 A F H >> S+ 0 0 0 273,-2.5 4,-0.7 -2,-0.8 3,-0.6 0.896 90.0 51.6 -55.9 -46.1 45.9 1.9 -2.2 126 134 A Y H >> S+ 0 0 2 271,-2.2 3,-1.2 1,-0.2 4,-0.6 0.916 108.5 52.2 -57.3 -43.1 44.7 1.0 1.4 127 135 A D H 34 S+ 0 0 77 -3,-0.3 4,-0.3 1,-0.3 3,-0.3 0.802 107.3 53.4 -65.1 -30.6 47.1 -1.9 1.6 128 136 A E H << S+ 0 0 37 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.522 97.4 66.0 -82.1 -8.6 50.0 0.2 0.6 129 137 A L H S+ 0 0 70 -4,-0.3 4,-2.9 2,-0.2 5,-0.2 0.941 110.4 46.4 -68.7 -50.2 54.0 0.7 5.9 132 140 A P H > S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.914 115.5 49.0 -59.2 -36.7 54.9 4.3 5.0 133 141 A L H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.919 111.5 49.5 -64.2 -43.8 52.8 5.4 8.0 134 142 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.938 111.9 48.1 -57.8 -47.8 54.6 2.9 10.3 135 143 A R H X S+ 0 0 38 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.922 114.6 45.5 -62.1 -43.8 58.0 4.1 9.1 136 144 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.950 115.3 44.8 -65.3 -49.8 57.1 7.8 9.6 137 145 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 6,-0.2 0.884 111.5 52.1 -68.1 -37.9 55.5 7.4 13.1 138 146 A C H X>S+ 0 0 0 -4,-2.6 5,-3.0 -5,-0.3 4,-0.7 0.958 112.5 45.9 -61.4 -47.6 58.3 5.1 14.4 139 147 A A H ><5S+ 0 0 60 -4,-1.9 3,-1.0 -5,-0.3 -2,-0.2 0.941 115.3 47.2 -57.8 -49.1 61.0 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 0.901 113.2 48.5 -55.7 -44.0 58.9 10.5 14.8 141 149 A A H 3<5S- 0 0 0 -4,-2.8 64,-2.7 62,-0.2 65,-0.4 0.472 116.3-110.5 -82.0 -2.4 58.3 8.6 18.1 142 150 A G T <<5 + 0 0 15 -3,-1.0 -3,-0.2 -4,-0.7 57,-0.2 0.776 69.4 145.0 76.9 26.3 61.9 7.6 18.6 143 151 A V < - 0 0 5 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.876 49.3-130.8 -97.7 113.0 61.2 3.9 17.9 144 152 A P + 0 0 66 0, 0.0 -5,-0.0 0, 0.0 44,-0.0 -0.381 29.7 179.5 -62.5 139.7 64.1 2.2 16.1 145 153 A L - 0 0 35 -10,-0.0 5,-0.1 -2,-0.0 -6,-0.1 -0.798 20.4-140.3-145.9 97.8 62.7 0.2 13.1 146 154 A P >> - 0 0 62 0, 0.0 3,-2.0 0, 0.0 4,-1.1 -0.272 24.4-117.2 -58.3 144.4 65.1 -1.7 10.8 147 155 A D G >4 S+ 0 0 112 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.865 113.7 51.8 -45.0 -45.8 64.3 -1.5 7.1 148 156 A D G 34 S+ 0 0 135 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.465 111.4 46.9 -81.5 -1.1 63.7 -5.2 6.8 149 157 A E G <> S+ 0 0 75 -3,-2.0 4,-2.6 2,-0.1 5,-0.2 0.517 86.1 87.3-110.4 -12.8 61.2 -5.3 9.8 150 158 A A H S+ 0 0 32 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.901 112.4 45.0 -52.8 -50.5 56.7 -4.4 6.6 152 160 A N H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.900 113.7 48.4 -65.1 -44.1 56.1 -6.9 9.4 153 161 A R H X S+ 0 0 16 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.876 109.1 54.6 -64.5 -37.4 55.5 -4.3 12.1 154 162 A A H X S+ 0 0 3 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.915 108.5 48.6 -61.6 -42.9 53.1 -2.4 9.7 155 163 A G H X S+ 0 0 30 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.865 112.0 49.2 -63.5 -37.6 51.1 -5.6 9.3 156 164 A E H X S+ 0 0 10 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.934 112.5 46.6 -69.0 -44.1 51.0 -6.2 13.1 157 165 A L H >X S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 4,-0.7 0.930 112.2 51.2 -64.3 -43.1 49.9 -2.6 13.8 158 166 A R H >X S+ 0 0 49 -4,-2.6 4,-2.7 1,-0.2 3,-1.1 0.909 104.4 58.3 -55.7 -44.7 47.3 -2.9 11.0 159 167 A A H 3X S+ 0 0 1 -4,-2.0 4,-0.6 1,-0.2 5,-0.4 0.766 94.0 66.6 -61.4 -25.6 45.9 -6.1 12.5 160 168 A L H << S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.854 122.1 13.9 -64.9 -34.5 45.2 -4.4 15.9 161 169 A F H << S+ 0 0 19 -3,-1.1 4,-0.4 -4,-0.7 -2,-0.2 0.604 129.8 47.8-112.8 -19.4 42.5 -2.2 14.3 162 170 A D H < S+ 0 0 0 -4,-2.7 -3,-0.2 -5,-0.2 228,-0.2 0.800 123.2 30.3-102.8 -33.9 41.7 -3.7 10.9 163 171 A A S >< S+ 0 0 0 -4,-0.6 3,-1.4 -5,-0.5 11,-0.2 0.520 101.1 85.3 -91.9 -15.8 41.3 -7.4 12.0 164 172 A A T 3 S+ 0 0 14 -5,-0.4 -2,-0.1 1,-0.3 -3,-0.1 0.910 94.1 40.9 -56.4 -49.8 40.1 -6.6 15.6 165 173 A G T 3 S+ 0 0 44 -4,-0.4 2,-0.5 225,-0.4 -1,-0.3 -0.006 88.7 118.1 -89.8 28.5 36.4 -6.2 14.6 166 174 A S < - 0 0 28 -3,-1.4 2,-1.8 2,-0.1 5,-0.3 -0.862 60.5-145.1 -99.5 124.4 36.4 -9.2 12.2 167 175 A A S S+ 0 0 111 -2,-0.5 -2,-0.1 3,-0.1 -3,-0.1 -0.465 76.2 64.8 -84.2 64.5 34.1 -12.1 13.1 168 176 A S S > S- 0 0 47 -2,-1.8 3,-2.3 -5,-0.2 4,-0.4 -0.913 111.2 -63.5-164.5 178.4 36.5 -14.7 11.7 169 177 A P T >> S+ 0 0 104 0, 0.0 4,-1.5 0, 0.0 3,-0.6 0.666 117.8 80.4 -52.4 -18.4 40.1 -16.1 12.3 170 178 A R H 3> S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -7,-0.1 0.821 85.0 60.1 -58.6 -30.1 41.4 -12.6 11.5 171 179 A H H <> S+ 0 0 38 -3,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.859 100.6 53.3 -64.2 -37.3 40.4 -11.8 15.1 172 180 A L H <> S+ 0 0 116 -3,-0.6 4,-2.0 -4,-0.4 -2,-0.2 0.883 107.8 50.7 -65.3 -38.7 42.9 -14.5 16.3 173 181 A W H X S+ 0 0 106 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.898 107.2 54.4 -62.9 -40.3 45.6 -12.8 14.2 174 182 A S H X S+ 0 0 0 -4,-2.0 4,-2.3 -11,-0.2 -2,-0.2 0.912 108.1 49.9 -60.7 -41.2 44.7 -9.5 15.9 175 183 A R H X S+ 0 0 86 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.903 112.9 44.7 -64.9 -41.6 45.2 -11.1 19.3 176 184 A L H X S+ 0 0 72 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.913 111.5 53.6 -68.8 -41.5 48.6 -12.5 18.3 177 185 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.898 108.2 51.4 -57.0 -40.7 49.6 -9.2 16.8 178 186 A R H X S+ 0 0 7 -4,-2.3 4,-2.7 -111,-0.3 5,-0.3 0.946 109.0 48.7 -63.5 -47.9 48.6 -7.5 20.1 179 187 A R H X S+ 0 0 146 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.904 116.2 45.0 -55.5 -43.3 50.8 -9.9 22.1 180 188 A R H X S+ 0 0 113 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.899 112.7 47.9 -69.4 -45.4 53.7 -9.2 19.6 181 189 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.890 112.1 50.9 -67.3 -38.2 53.4 -5.4 19.4 182 190 A D H X S+ 0 0 13 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.930 111.0 47.8 -63.6 -43.6 53.2 -5.1 23.2 183 191 A A H X S+ 0 0 42 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.918 114.3 47.1 -65.1 -41.2 56.3 -7.2 23.7 184 192 A W H X S+ 0 0 13 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.947 113.7 46.1 -62.6 -52.2 58.2 -5.2 21.0 185 193 A A H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.874 111.1 55.1 -59.1 -36.8 57.1 -1.8 22.5 186 194 A K H X S+ 0 0 74 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.921 105.5 50.3 -65.3 -43.0 58.0 -3.1 25.9 187 195 A R H X S+ 0 0 135 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.873 110.5 52.0 -60.2 -36.0 61.5 -3.9 24.8 188 196 A I H X S+ 0 0 13 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.953 110.6 46.2 -64.2 -50.7 61.7 -0.4 23.4 189 197 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.928 113.6 50.2 -57.2 -45.3 60.6 1.1 26.8 190 198 A E H X S+ 0 0 91 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.903 110.3 48.8 -61.3 -41.1 63.1 -1.1 28.6 191 199 A G H X>S+ 0 0 7 -4,-2.2 6,-1.8 2,-0.2 5,-1.6 0.831 110.2 51.3 -69.9 -32.7 66.0 -0.1 26.3 192 200 A I H ><5S+ 0 0 7 -4,-2.1 3,-0.6 4,-0.2 -2,-0.2 0.944 112.6 46.3 -67.6 -45.8 65.2 3.6 26.7 193 201 A R H 3<5S+ 0 0 54 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.838 114.1 47.6 -65.1 -35.5 65.2 3.2 30.5 194 202 A A H 3<5S- 0 0 85 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.577 113.4-119.4 -78.7 -12.6 68.4 1.2 30.4 195 203 A G T <<5S+ 0 0 61 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.554 85.7 113.4 84.6 7.9 70.1 3.7 28.1 196 204 A S S - 0 0 37 1,-0.1 3,-2.3 2,-0.0 6,-0.4 -0.314 20.8-111.2 -71.6 151.6 65.4 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 0.663 115.8 54.0 -51.8 -22.9 63.8 14.1 24.7 202 210 A G T 3 S+ 0 0 45 4,-0.1 -1,-0.3 5,-0.0 2,-0.2 0.487 89.8 102.4 -88.3 -0.9 61.1 15.4 22.3 203 211 A T S <> S- 0 0 19 -3,-2.3 4,-2.6 1,-0.1 -62,-0.2 -0.488 76.1-123.7 -95.1 152.2 59.9 12.0 21.1 204 212 A A H > S+ 0 0 1 -64,-0.3 4,-2.5 1,-0.2 5,-0.3 0.896 111.0 51.7 -55.3 -45.3 56.8 10.0 22.1 205 213 A A H > S+ 0 0 0 -64,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.902 111.7 47.2 -66.0 -37.6 58.7 6.9 23.2 206 214 A Y H > S+ 0 0 86 -65,-0.4 4,-1.9 -6,-0.4 -1,-0.2 0.932 112.7 49.5 -61.4 -50.0 61.0 9.0 25.5 207 215 A A H X S+ 0 0 31 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.890 116.2 42.0 -58.0 -42.7 58.0 10.9 27.0 208 216 A I H >< S+ 0 0 0 -4,-2.5 3,-0.6 -5,-0.2 11,-0.4 0.908 112.8 52.4 -74.5 -42.0 56.2 7.6 27.7 209 217 A A H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.831 119.6 35.8 -61.1 -32.9 59.3 5.7 29.0 210 218 A W H 3< S+ 0 0 90 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.404 85.5 128.2-106.4 3.4 60.0 8.5 31.4 211 219 A H << - 0 0 22 -4,-0.6 8,-0.8 -3,-0.6 2,-0.4 -0.308 46.4-150.5 -58.8 137.6 56.5 9.6 32.4 212 220 A R B -G 218 0C 112 6,-0.2 6,-0.2 1,-0.1 -2,-0.1 -0.957 10.4-140.6-112.1 133.4 55.9 9.7 36.1 213 221 A D > - 0 0 47 4,-2.9 3,-2.0 -2,-0.4 -1,-0.1 0.037 44.6 -72.8 -79.2-168.4 52.4 9.0 37.4 214 222 A R T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 -132,-0.0 0.579 134.6 50.3 -69.5 -5.7 50.7 10.8 40.3 215 223 A H T 3 S- 0 0 139 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.134 120.8-104.7-112.4 15.3 52.9 9.1 42.9 216 224 A D S < S+ 0 0 103 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.756 79.2 135.4 65.6 28.0 56.2 9.9 41.0 217 225 A D - 0 0 91 1,-0.0 -4,-2.9 3,-0.0 -1,-0.2 -0.882 58.8-115.9-107.2 140.5 56.5 6.3 39.8 218 226 A L B -G 212 0C 53 -2,-0.4 -6,-0.2 -6,-0.2 -8,-0.1 -0.332 43.6 -95.3 -58.6 149.1 57.4 5.3 36.2 219 227 A L - 0 0 7 -8,-0.8 -1,-0.1 -11,-0.4 -8,-0.0 -0.379 48.3 -97.9 -57.5 141.4 54.6 3.4 34.4 220 228 A S > - 0 0 64 1,-0.1 4,-2.8 -3,-0.1 5,-0.3 -0.364 40.6-108.7 -58.9 150.8 55.0 -0.3 34.6 221 229 A P H > S+ 0 0 44 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.884 118.1 51.7 -57.8 -36.4 56.8 -1.5 31.4 222 230 A H H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.909 111.4 46.9 -65.6 -41.2 53.7 -3.2 30.1 223 231 A V H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 111.6 50.4 -65.6 -42.8 51.6 -0.1 30.6 224 232 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.912 110.5 52.0 -57.9 -41.8 54.2 2.2 29.0 225 233 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.940 109.0 48.8 -59.2 -47.7 54.3 -0.3 26.1 226 234 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.901 111.3 49.9 -60.6 -40.1 50.5 -0.1 25.7 227 235 A E H < S+ 0 0 0 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.872 109.0 51.4 -69.7 -36.5 50.6 3.7 25.7 228 236 A L H >X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-1.9 0.921 109.5 50.0 -64.0 -42.0 53.3 3.8 23.1 229 237 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.3 -2,-0.2 0.824 99.5 66.9 -65.4 -28.3 51.2 1.5 20.9 230 238 A N H 3< S+ 0 0 15 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.554 108.8 38.6 -65.4 -10.9 48.4 4.0 21.6 231 239 A V H <> S+ 0 0 7 -3,-1.9 4,-1.2 -4,-0.2 -2,-0.2 0.764 120.2 43.0 -96.6 -48.0 50.5 6.4 19.5 232 240 A L H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.942 112.3 51.0 -64.5 -49.9 51.8 4.0 16.8 233 241 A R H X S+ 0 0 14 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.911 110.4 43.3 -61.8 -51.5 48.6 2.1 16.1 234 242 A P H 4 S+ 0 0 49 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.831 109.4 59.4 -72.0 -22.9 46.1 4.9 15.5 235 243 A T H >< S+ 0 0 9 -4,-1.2 3,-1.2 1,-0.2 4,-0.2 0.931 107.1 46.9 -63.6 -42.1 48.7 6.8 13.3 236 244 A V H >< S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.2 -1,-0.2 0.874 101.9 66.0 -63.8 -33.9 48.8 3.7 11.0 237 245 A A T >X S+ 0 0 10 -4,-1.9 3,-1.9 1,-0.3 4,-0.6 0.645 76.7 84.7 -64.0 -14.5 44.9 3.7 11.1 238 246 A I H <> + 0 0 4 -3,-1.2 4,-2.7 -4,-0.5 -1,-0.3 0.770 69.2 83.1 -59.0 -20.8 45.1 7.0 9.2 239 247 A A H <> S+ 0 0 0 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.848 86.2 55.6 -44.1 -39.1 45.4 4.7 6.2 240 248 A V H <> S+ 0 0 0 -3,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.954 108.9 43.5 -63.7 -51.2 41.6 4.5 6.4 241 249 A Y H X S+ 0 0 6 -4,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.870 112.0 54.0 -63.6 -36.9 41.1 8.3 6.2 242 250 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.909 108.0 50.7 -64.3 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