==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUN-12 4FHZ . COMPND 2 MOLECULE: PHOSPHOLIPASE/CARBOXYLESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR L.WU,J.MA,J.ZHOU,H.YU . 220 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 13 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 1 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 48 A I 0 0 192 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-160.1 -39.9 -15.2 -12.3 2 49 A M - 0 0 155 0, 0.0 2,-0.3 0, 0.0 91,-0.1 -0.896 360.0-141.0-126.1 146.6 -37.2 -14.0 -14.7 3 50 A T - 0 0 77 -2,-0.4 2,-0.5 89,-0.1 87,-0.1 -0.725 22.9-125.7 -95.9 145.8 -36.2 -10.8 -16.4 4 51 A R - 0 0 75 -2,-0.3 2,-0.3 85,-0.3 92,-0.1 -0.822 27.4-123.6 -89.2 129.9 -35.0 -10.6 -20.0 5 52 A K - 0 0 168 -2,-0.5 2,-0.5 52,-0.1 89,-0.1 -0.590 25.3-134.5 -73.4 130.4 -31.6 -9.0 -20.3 6 53 A L - 0 0 9 -2,-0.3 2,-0.1 87,-0.2 50,-0.1 -0.771 5.9-140.2 -93.4 127.8 -31.6 -6.0 -22.7 7 54 A T + 0 0 91 -2,-0.5 48,-2.5 48,-0.2 2,-0.3 -0.491 32.9 175.9 -72.1 152.1 -29.0 -5.5 -25.4 8 55 A F E -A 54 0A 75 46,-0.3 2,-0.3 -2,-0.1 44,-0.0 -0.993 27.6-133.0-157.8 157.2 -27.9 -1.8 -25.7 9 56 A G E -A 53 0A 26 44,-1.6 44,-1.8 -2,-0.3 2,-0.3 -0.813 22.5-150.0-109.6 161.9 -25.6 0.6 -27.5 10 57 A R E +A 52 0A 57 -2,-0.3 2,-0.3 42,-0.2 42,-0.2 -0.962 17.6 165.2-139.5 146.7 -23.6 3.4 -25.9 11 58 A R E +A 51 0A 146 40,-1.9 40,-2.1 -2,-0.3 2,-0.4 -0.898 41.9 28.9-140.7 165.5 -22.2 6.7 -26.8 12 59 A G E S+A 50 0A 48 -2,-0.3 38,-0.3 38,-0.2 36,-0.1 -0.720 87.3 49.3 101.2-137.3 -20.8 9.8 -25.2 13 60 A A S S- 0 0 9 36,-2.3 5,-0.2 -2,-0.4 3,-0.1 -0.302 89.1 -99.2 -58.1 135.0 -18.9 10.1 -22.0 14 61 A A > - 0 0 48 3,-0.2 3,-2.7 1,-0.1 -1,-0.1 -0.197 48.3 -92.2 -56.1 138.6 -16.0 7.6 -21.7 15 62 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 90,-0.1 -0.280 117.3 24.9 -52.3 140.3 -16.8 4.6 -19.6 16 63 A G T 3 S+ 0 0 78 88,-0.1 -2,-0.1 -3,-0.1 -3,-0.0 0.125 114.0 74.4 91.7 -20.0 -15.8 5.4 -16.0 17 64 A E < + 0 0 141 -3,-2.7 2,-0.5 -4,-0.1 -3,-0.2 0.057 60.7 128.8-116.2 22.4 -16.1 9.0 -16.6 18 65 A A - 0 0 13 87,-0.3 31,-0.2 1,-0.2 3,-0.1 -0.709 30.2-179.2 -92.0 130.5 -19.9 9.7 -16.7 19 66 A T S S+ 0 0 71 29,-2.6 2,-0.3 -2,-0.5 30,-0.2 0.690 76.2 9.2 -89.3 -24.8 -21.4 12.4 -14.7 20 67 A S E -b 49 0A 3 28,-1.5 30,-2.6 200,-0.1 2,-0.4 -0.958 65.8-136.1-151.6 169.6 -24.8 11.6 -16.0 21 68 A L E -bc 50 112A 0 90,-3.0 92,-2.8 -2,-0.3 2,-0.5 -0.990 6.9-168.1-138.4 126.8 -26.8 9.1 -18.0 22 69 A V E -bc 51 113A 0 28,-2.8 30,-2.6 -2,-0.4 2,-0.6 -0.971 10.3-160.9-113.8 121.4 -29.5 9.4 -20.6 23 70 A V E -bc 52 114A 0 90,-2.5 92,-2.5 -2,-0.5 2,-0.4 -0.910 8.1-150.2-102.4 116.7 -31.4 6.3 -21.6 24 71 A F E - c 0 115A 2 28,-3.1 2,-0.6 -2,-0.6 92,-0.2 -0.707 5.5-159.1 -82.9 134.9 -33.2 6.4 -25.0 25 72 A L E - c 0 116A 0 90,-2.4 92,-2.3 -2,-0.4 95,-0.2 -0.934 14.8-146.6-119.9 107.0 -36.4 4.3 -25.2 26 73 A H - 0 0 3 -2,-0.6 43,-0.1 28,-0.5 6,-0.1 -0.066 14.3-108.5 -72.3 168.7 -37.3 3.5 -28.8 27 74 A G > - 0 0 6 92,-0.2 3,-1.9 1,-0.2 40,-0.2 -0.322 50.9 -58.1 -94.0 176.7 -40.7 3.1 -30.3 28 75 A Y T 3 S+ 0 0 42 1,-0.3 40,-0.2 -2,-0.1 -1,-0.2 -0.256 121.8 8.6 -57.3 131.8 -42.7 0.2 -31.6 29 76 A G T 3 S+ 0 0 14 38,-1.8 -1,-0.3 1,-0.2 39,-0.2 0.444 111.8 96.7 78.1 1.7 -40.9 -1.7 -34.3 30 77 A A B < -G 67 0B 25 -3,-1.9 37,-2.4 37,-0.5 2,-0.3 -0.122 61.8-134.4-100.8-159.3 -37.7 0.2 -34.0 31 78 A D >> - 0 0 48 35,-0.2 4,-0.7 -3,-0.1 3,-0.6 -0.934 30.2 -94.4-151.4 174.1 -34.5 -0.5 -32.2 32 79 A G H 3> S+ 0 0 1 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.838 111.0 67.9 -60.3 -35.8 -32.0 1.3 -29.9 33 80 A A H 3> S+ 0 0 64 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.833 93.2 57.4 -59.5 -42.0 -29.7 2.3 -32.6 34 81 A D H X4 S+ 0 0 110 -3,-0.6 3,-1.0 1,-0.2 4,-0.2 0.972 114.1 35.2 -53.3 -62.8 -32.1 4.8 -34.3 35 82 A L H >< S+ 0 0 15 -4,-0.7 3,-2.8 1,-0.2 4,-0.3 0.877 107.7 67.2 -63.3 -39.2 -32.7 7.0 -31.2 36 83 A L H >< S+ 0 0 5 -4,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.780 86.2 73.3 -53.4 -27.3 -29.1 6.6 -29.9 37 84 A G T X< S+ 0 0 42 -4,-1.0 3,-1.5 -3,-1.0 -1,-0.3 0.715 79.6 72.0 -59.1 -23.0 -28.1 8.6 -33.0 38 85 A L T <> S+ 0 0 36 -3,-2.8 4,-1.4 1,-0.3 -1,-0.3 0.664 79.1 78.3 -66.0 -16.1 -29.5 11.7 -31.3 39 86 A A H <> S+ 0 0 4 -3,-2.1 4,-2.7 -4,-0.3 -1,-0.3 0.771 81.4 68.9 -62.2 -25.1 -26.4 11.4 -29.1 40 87 A E H <4 S+ 0 0 162 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.972 106.9 31.3 -63.5 -58.1 -24.4 12.9 -31.9 41 88 A P H 4 S+ 0 0 64 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.790 124.5 49.7 -69.5 -24.6 -25.9 16.5 -31.8 42 89 A L H >X S+ 0 0 5 -4,-1.4 3,-1.8 1,-0.1 4,-0.8 0.874 93.7 71.1 -81.1 -38.7 -26.5 16.3 -28.1 43 90 A A G >< S+ 0 0 27 -4,-2.7 3,-1.5 1,-0.3 6,-0.3 0.860 92.4 54.2 -51.3 -51.9 -23.1 15.0 -26.8 44 91 A P G 34 S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.714 113.8 44.6 -57.4 -20.6 -21.0 18.2 -27.4 45 92 A H G <4 S+ 0 0 99 -3,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.487 115.6 47.7-102.0 -6.8 -23.6 20.2 -25.3 46 93 A L S X< S+ 0 0 8 -3,-1.5 3,-1.7 -4,-0.8 -1,-0.2 -0.646 75.0 177.6-129.3 73.2 -23.7 17.5 -22.6 47 94 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.838 75.5 34.6 -48.1 -55.0 -20.0 16.9 -22.0 48 95 A G T 3 S+ 0 0 21 -35,-0.1 -29,-2.6 -30,-0.1 -28,-1.5 0.216 92.5 118.6 -92.5 16.6 -20.1 14.4 -19.2 49 96 A T E < - b 0 20A 5 -3,-1.7 -36,-2.3 -6,-0.3 2,-0.4 -0.664 49.3-153.8 -91.0 134.4 -23.2 12.5 -20.3 50 97 A A E -Ab 12 21A 0 -30,-2.6 -28,-2.8 -2,-0.4 2,-0.4 -0.886 12.7-153.3 -97.7 136.7 -23.3 8.9 -21.3 51 98 A F E +Ab 11 22A 0 -40,-2.1 -40,-1.9 -2,-0.4 2,-0.3 -0.929 15.5 177.1-111.2 133.0 -26.1 7.9 -23.7 52 99 A V E -Ab 10 23A 0 -30,-2.6 -28,-3.1 -2,-0.4 -42,-0.2 -0.989 12.2-170.2-134.7 147.5 -27.5 4.4 -23.8 53 100 A A E -A 9 0A 2 -44,-1.8 -44,-1.6 -2,-0.3 -28,-0.1 -0.906 10.7-158.8-138.0 106.2 -30.3 2.8 -25.9 54 101 A P E -A 8 0A 0 0, 0.0 -28,-0.5 0, 0.0 2,-0.4 -0.453 20.9-120.2 -75.3 155.4 -31.6 -0.7 -25.1 55 102 A D - 0 0 31 -48,-2.5 -48,-0.2 -24,-0.1 -24,-0.1 -0.824 37.2-104.5 -87.7 138.1 -33.5 -2.8 -27.6 56 103 A A - 0 0 4 -2,-0.4 13,-0.2 -29,-0.1 -49,-0.1 -0.276 33.1-116.6 -57.4 151.2 -37.0 -3.7 -26.5 57 104 A P S S+ 0 0 32 0, 0.0 12,-0.1 0, 0.0 -1,-0.1 0.574 86.7 60.9 -77.3 -10.3 -37.1 -7.4 -25.3 58 105 A E E S-H 68 0B 42 10,-1.5 10,-2.3 12,-0.0 2,-0.1 -0.864 84.9-107.8-119.8 148.2 -39.6 -8.8 -27.9 59 106 A P E -H 67 0B 104 0, 0.0 2,-0.4 0, 0.0 8,-0.3 -0.466 49.3-101.9 -64.6 146.5 -39.6 -9.2 -31.7 60 107 A C > - 0 0 8 6,-2.1 3,-0.8 1,-0.1 6,-0.1 -0.582 20.3-146.1 -72.9 126.9 -42.1 -6.7 -33.2 61 108 A R T 3 S+ 0 0 144 -2,-0.4 -1,-0.1 1,-0.2 6,-0.0 0.740 97.3 47.5 -59.4 -24.3 -45.3 -8.4 -34.3 62 109 A A T 3 S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.505 111.7 39.7-103.8 -6.4 -45.6 -6.0 -37.3 63 110 A N S < S- 0 0 73 -3,-0.8 -34,-0.1 3,-0.1 -3,-0.1 -0.891 72.4-115.7-142.1 178.9 -42.2 -6.0 -38.8 64 111 A G S S+ 0 0 63 -2,-0.3 -1,-0.1 1,-0.1 -35,-0.0 0.770 100.9 7.0 -85.5 -30.5 -39.2 -8.2 -39.8 65 112 A F S S+ 0 0 194 -36,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.358 101.7 97.4-141.1 1.2 -36.3 -7.1 -37.7 66 113 A G - 0 0 10 -6,-0.1 -6,-2.1 -35,-0.1 2,-0.3 -0.238 60.0-124.0 -92.0-177.8 -37.5 -4.5 -35.2 67 114 A F E -GH 30 59B 63 -37,-2.4 -38,-1.8 -8,-0.3 -37,-0.5 -0.859 11.9-156.0-127.5 158.5 -38.5 -4.8 -31.5 68 115 A Q E - H 0 58B 7 -10,-2.3 -10,-1.5 -2,-0.3 -40,-0.1 -0.973 19.2-149.2-130.9 148.1 -41.5 -4.0 -29.4 69 116 A W S S- 0 0 0 1,-0.4 21,-0.2 -2,-0.3 -1,-0.1 0.834 90.7 -22.7 -76.8 -34.8 -41.9 -3.3 -25.7 70 117 A F S S- 0 0 11 -3,-0.1 -1,-0.4 -12,-0.1 13,-0.1 -0.960 83.2 -83.2-167.0 163.1 -45.3 -4.8 -26.0 71 118 A P - 0 0 10 0, 0.0 16,-0.1 0, 0.0 15,-0.1 -0.275 26.5-137.2 -80.1 166.5 -47.9 -5.4 -28.7 72 119 A I >> - 0 0 35 1,-0.2 4,-2.8 -2,-0.0 3,-1.8 -0.897 11.0-159.4-125.5 97.7 -50.5 -3.0 -30.1 73 120 A P H 3> S+ 0 0 26 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.830 88.0 53.5 -50.5 -48.4 -53.9 -4.7 -30.5 74 121 A W H 34 S+ 0 0 194 1,-0.2 5,-0.0 2,-0.2 -2,-0.0 0.758 122.4 32.2 -60.0 -22.5 -55.5 -2.3 -33.0 75 122 A L H <4 S+ 0 0 81 -3,-1.8 -1,-0.2 1,-0.0 0, 0.0 0.855 129.3 26.3-101.5 -46.4 -52.4 -2.7 -35.2 76 123 A D H < S- 0 0 20 -4,-2.8 -2,-0.2 2,-0.1 -1,-0.0 0.336 98.3-112.0-112.6 6.8 -51.0 -6.2 -34.9 77 124 A G < + 0 0 63 -4,-1.7 -3,-0.1 -5,-0.4 0, 0.0 0.397 65.0 145.1 83.3 -3.9 -54.0 -8.3 -33.8 78 125 A S - 0 0 12 -6,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.175 51.2-107.3 -60.1 160.2 -52.8 -9.1 -30.3 79 126 A S > - 0 0 67 1,-0.1 4,-2.1 -5,-0.0 5,-0.1 -0.491 22.8-114.1 -85.8 161.0 -55.3 -9.3 -27.4 80 127 A E H > S+ 0 0 138 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 119.1 54.0 -62.1 -34.4 -55.8 -6.6 -24.7 81 128 A T H > S+ 0 0 85 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.914 107.0 50.0 -65.7 -43.8 -54.5 -9.2 -22.2 82 129 A A H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.891 111.6 49.6 -60.6 -40.0 -51.4 -9.8 -24.2 83 130 A A H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.938 113.5 45.2 -64.5 -46.6 -50.8 -6.1 -24.4 84 131 A A H X S+ 0 0 64 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.921 115.4 45.8 -63.8 -46.3 -51.2 -5.6 -20.7 85 132 A E H X S+ 0 0 130 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.884 111.0 55.1 -64.5 -38.4 -49.0 -8.6 -19.8 86 133 A G H X S+ 0 0 6 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.913 107.1 49.4 -59.4 -45.6 -46.5 -7.4 -22.3 87 134 A M H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.912 110.7 49.8 -61.5 -44.7 -46.3 -4.0 -20.6 88 135 A A H X S+ 0 0 60 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.922 113.8 45.5 -60.9 -43.2 -45.8 -5.5 -17.2 89 136 A A H X S+ 0 0 19 -4,-2.4 4,-2.3 2,-0.2 -85,-0.3 0.893 113.1 49.9 -68.4 -39.3 -43.0 -7.8 -18.4 90 137 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.873 110.1 50.9 -64.8 -38.5 -41.3 -4.9 -20.3 91 138 A A H X S+ 0 0 8 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.915 108.6 51.8 -66.2 -42.9 -41.5 -2.7 -17.2 92 139 A R H X S+ 0 0 70 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.941 113.5 45.2 -54.0 -49.4 -39.9 -5.5 -15.2 93 140 A D H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -87,-0.2 0.888 113.8 47.2 -64.3 -43.4 -37.1 -5.7 -17.7 94 141 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.888 109.2 54.3 -70.6 -39.8 -36.5 -2.0 -18.1 95 142 A D H X S+ 0 0 48 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.954 110.9 45.7 -55.1 -48.9 -36.5 -1.5 -14.4 96 143 A A H X S+ 0 0 27 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.911 111.2 53.9 -62.1 -41.9 -33.8 -4.1 -14.1 97 144 A F H X S+ 0 0 14 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.915 107.5 49.4 -57.3 -48.0 -31.9 -2.5 -17.0 98 145 A L H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.923 109.0 53.3 -58.6 -47.0 -31.9 0.9 -15.3 99 146 A D H X S+ 0 0 74 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.900 111.3 46.2 -52.3 -44.1 -30.6 -0.6 -12.1 100 147 A E H X S+ 0 0 90 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.867 111.5 49.8 -77.1 -29.8 -27.7 -2.3 -13.9 101 148 A R H X S+ 0 0 15 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.917 113.7 46.3 -68.4 -42.8 -26.8 0.8 -16.0 102 149 A L H X>S+ 0 0 13 -4,-2.7 5,-2.3 2,-0.2 4,-0.9 0.890 113.4 50.9 -65.1 -39.2 -26.7 3.0 -12.8 103 150 A A H <5S+ 0 0 70 -4,-2.2 3,-0.2 -5,-0.3 -2,-0.2 0.938 116.0 39.4 -64.1 -46.8 -24.7 0.2 -11.1 104 151 A E H <5S+ 0 0 135 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.828 116.1 48.7 -75.8 -34.5 -22.1 -0.0 -13.8 105 152 A E H <5S- 0 0 21 -4,-2.6 -87,-0.3 -5,-0.2 -1,-0.2 0.635 107.4-127.4 -77.0 -13.2 -21.9 3.7 -14.6 106 153 A G T <5 + 0 0 61 -4,-0.9 -3,-0.2 1,-0.2 -4,-0.1 0.931 60.5 137.3 65.8 48.6 -21.5 4.3 -10.8 107 154 A L < - 0 0 32 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.900 52.1-122.2-127.5 157.4 -24.3 6.9 -10.7 108 155 A P > - 0 0 51 0, 0.0 3,-3.5 0, 0.0 4,-0.2 -0.546 36.2-105.9 -92.1 157.3 -27.2 7.8 -8.5 109 156 A P G > S+ 0 0 25 0, 0.0 3,-2.2 0, 0.0 27,-0.9 0.872 115.6 66.9 -56.5 -32.6 -30.7 8.0 -9.8 110 157 A E G 3 S+ 0 0 113 25,-0.3 25,-0.1 1,-0.3 24,-0.0 0.544 96.4 58.1 -72.2 5.4 -30.8 11.7 -9.8 111 158 A A G < S+ 0 0 2 -3,-3.5 -90,-3.0 108,-0.1 2,-0.5 0.341 91.4 89.0-111.5 19.9 -28.2 11.6 -12.6 112 159 A L E < -c 21 0A 0 -3,-2.2 24,-1.8 -92,-0.2 25,-0.9 -0.900 51.1-179.2-108.9 129.6 -30.3 9.6 -14.9 113 160 A A E -cd 22 137A 1 -92,-2.8 -90,-2.5 -2,-0.5 2,-0.4 -0.923 17.2-141.9-119.4 148.6 -32.8 10.9 -17.5 114 161 A L E -cd 23 138A 0 23,-1.9 25,-2.8 -2,-0.3 2,-0.5 -0.939 10.3-167.7-107.2 138.4 -35.1 9.0 -19.8 115 162 A V E -cd 24 139A 4 -92,-2.5 -90,-2.4 -2,-0.4 2,-0.3 -0.966 16.9-172.9-125.4 109.0 -35.8 10.1 -23.3 116 163 A G E -cd 25 140A 0 23,-2.9 25,-2.3 -2,-0.5 2,-0.4 -0.715 19.8-156.8-104.4 154.0 -38.6 8.3 -25.0 117 164 A F E > - d 0 141A 38 -92,-2.3 3,-2.3 -2,-0.3 25,-0.2 -0.975 61.3 -56.5-125.4 121.5 -40.2 8.1 -28.4 118 165 A S T >> S+ 0 0 18 23,-2.8 4,-1.8 -2,-0.4 3,-1.2 -0.289 135.4 15.8 56.2-118.7 -43.8 7.0 -28.8 119 166 A Q H 3> S+ 0 0 4 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.882 128.9 57.9 -51.0 -36.3 -44.1 3.5 -27.3 120 167 A G H <> S+ 0 0 0 -3,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.839 102.6 53.5 -62.7 -33.2 -40.8 4.3 -25.5 121 168 A T H <> S+ 0 0 1 -3,-1.2 4,-2.7 20,-0.3 -1,-0.2 0.902 105.2 53.0 -66.8 -42.2 -42.4 7.3 -24.0 122 169 A M H X S+ 0 0 15 -4,-1.8 4,-1.3 1,-0.2 24,-0.3 0.914 110.3 49.2 -56.4 -43.5 -45.2 5.1 -22.6 123 170 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.928 111.0 48.8 -61.0 -47.2 -42.5 2.9 -21.1 124 171 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.933 111.5 49.1 -58.7 -46.1 -40.7 5.9 -19.5 125 172 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 19,-0.2 -2,-0.2 0.748 115.9 44.3 -69.1 -24.0 -43.9 7.3 -18.1 126 173 A H H X S+ 0 0 21 -4,-1.3 4,-0.6 -3,-0.2 -2,-0.2 0.922 120.4 35.8 -81.7 -49.6 -44.8 3.9 -16.6 127 174 A V H >X S+ 0 0 0 -4,-2.8 3,-1.0 -5,-0.2 4,-0.6 0.944 109.2 57.4 -74.9 -51.1 -41.4 2.9 -15.1 128 175 A A H >< S+ 0 0 1 -4,-2.0 3,-1.5 -5,-0.3 7,-0.2 0.885 105.4 48.6 -53.7 -50.2 -39.9 6.2 -13.9 129 176 A P H 34 S+ 0 0 0 0, 0.0 27,-2.6 0, 0.0 28,-2.6 0.778 108.6 57.0 -62.0 -24.1 -42.7 7.2 -11.4 130 177 A R H << S+ 0 0 32 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.1 0.499 83.6 105.6 -88.5 -4.4 -42.7 3.7 -10.0 131 178 A R S << S- 0 0 23 -3,-1.5 25,-0.2 -4,-0.6 4,-0.0 -0.400 76.3-127.4 -68.3 153.2 -39.0 3.8 -9.1 132 179 A A S S+ 0 0 68 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.925 93.6 47.3 -66.4 -46.5 -38.1 4.2 -5.4 133 180 A E S S- 0 0 122 24,-0.1 2,-0.4 1,-0.0 24,-0.1 -0.756 92.5-110.1-102.9 147.3 -35.8 7.2 -6.0 134 181 A E - 0 0 88 -2,-0.3 -2,-0.1 22,-0.1 2,-0.0 -0.586 30.8-146.4 -76.3 122.3 -36.6 10.2 -8.2 135 182 A I - 0 0 2 -2,-0.4 -25,-0.3 -7,-0.2 -22,-0.2 -0.253 31.7 -97.0 -78.3 174.4 -34.6 10.4 -11.4 136 183 A A S S- 0 0 2 -24,-1.8 2,-0.3 -27,-0.9 -23,-0.2 0.851 82.5 -67.1 -64.3 -35.3 -33.4 13.7 -13.0 137 184 A G E -d 113 0A 0 -25,-0.9 -23,-1.9 22,-0.2 2,-0.4 -0.930 39.0-104.6 164.0 173.0 -36.4 13.8 -15.4 138 185 A I E -de 114 161A 0 22,-2.3 24,-3.1 -2,-0.3 2,-0.6 -0.993 12.5-163.4-128.4 130.7 -38.2 12.4 -18.4 139 186 A V E -de 115 162A 0 -25,-2.8 -23,-2.9 -2,-0.4 2,-0.6 -0.974 16.0-169.4-106.9 116.3 -38.5 13.7 -22.0 140 187 A G E -de 116 163A 2 22,-2.9 24,-2.9 -2,-0.6 2,-0.5 -0.929 0.5-166.0-110.1 113.1 -41.4 12.1 -23.7 141 188 A F E -de 117 164A 1 -25,-2.3 -23,-2.8 -2,-0.6 -20,-0.3 -0.842 64.8 -22.1 -94.8 132.6 -41.7 12.6 -27.5 142 189 A S S S+ 0 0 0 22,-3.0 -1,-0.2 -2,-0.5 2,-0.1 0.727 107.6 103.5 53.7 38.6 -44.9 11.7 -29.4 143 190 A G - 0 0 6 21,-0.2 2,-0.3 -3,-0.2 -1,-0.2 -0.437 54.8-128.7-131.7-159.3 -46.3 9.3 -26.9 144 191 A R - 0 0 96 -26,-0.4 2,-0.6 -2,-0.1 -19,-0.2 -0.956 25.2 -97.9-154.6 173.3 -48.9 8.9 -24.2 145 192 A L - 0 0 15 -2,-0.3 -23,-0.1 31,-0.3 -22,-0.1 -0.885 29.9-160.6-100.4 118.2 -49.6 7.8 -20.6 146 193 A L S S+ 0 0 61 -2,-0.6 -1,-0.2 -24,-0.3 -23,-0.0 0.911 80.4 21.2 -70.5 -45.5 -51.0 4.3 -20.6 147 194 A A >> + 0 0 23 1,-0.1 3,-1.1 2,-0.1 4,-0.8 -0.602 64.0 163.4-129.3 72.6 -52.7 4.1 -17.2 148 195 A P H >> S+ 0 0 62 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.842 75.3 59.7 -58.2 -38.9 -53.5 7.7 -16.0 149 196 A E H 34 S+ 0 0 194 1,-0.2 4,-0.4 2,-0.2 3,-0.2 0.766 106.4 47.1 -65.3 -25.6 -56.0 6.5 -13.4 150 197 A R H <> S+ 0 0 115 -3,-1.1 4,-2.4 1,-0.2 5,-0.3 0.676 89.6 85.6 -87.2 -18.8 -53.3 4.4 -11.6 151 198 A L H - f 0 196A 0 34,-0.3 3,-1.5 -2,-0.3 31,-0.2 -0.679 18.6-142.9 -82.7 133.3 -46.2 17.1 -33.2 167 214 A D T 3 S+ 0 0 67 29,-1.6 33,-0.1 -2,-0.4 7,-0.1 0.537 102.4 49.4 -78.0 -1.0 -49.6 18.8 -33.7 168 215 A A T 3 S+ 0 0 56 31,-2.5 -1,-0.3 28,-0.4 33,-0.3 0.072 75.9 149.4-115.9 22.5 -50.0 16.9 -37.0 169 216 A D < - 0 0 14 -3,-1.5 5,-0.4 31,-0.4 31,-0.1 -0.397 28.0-168.2 -61.3 114.7 -49.1 13.5 -35.6 170 217 A P S S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 30,-0.1 0.545 80.5 34.7 -85.6 -6.5 -51.2 11.0 -37.6 171 218 A V S S+ 0 0 79 1,-0.3 -2,-0.1 0, 0.0 29,-0.0 0.686 120.3 39.9-120.0 -30.5 -50.6 7.9 -35.4 172 219 A V S S- 0 0 20 -29,-0.0 -1,-0.3 -28,-0.0 -3,-0.1 -0.931 95.5-120.6-118.9 107.6 -50.5 9.2 -31.8 173 220 A P > - 0 0 73 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.114 10.3-130.5 -53.3 131.3 -53.2 11.9 -31.5 174 221 A F T >> S+ 0 0 76 -5,-0.4 3,-1.8 1,-0.3 4,-0.6 0.803 104.7 70.6 -50.1 -32.1 -51.9 15.3 -30.5 175 222 A A H 3> S+ 0 0 62 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.786 82.5 71.4 -58.5 -28.5 -54.6 15.4 -27.8 176 223 A D H <> S+ 0 0 30 -3,-2.3 4,-2.9 1,-0.2 -31,-0.3 0.788 88.8 63.3 -60.0 -26.5 -52.7 12.7 -25.9 177 224 A M H <> S+ 0 0 23 -3,-1.8 4,-2.8 -4,-0.4 -1,-0.2 0.963 107.4 39.8 -62.7 -50.9 -50.1 15.2 -25.0 178 225 A S H X S+ 0 0 80 -4,-0.6 4,-2.7 -3,-0.3 5,-0.2 0.904 115.7 52.5 -65.1 -41.4 -52.5 17.4 -23.0 179 226 A L H X S+ 0 0 99 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.943 114.2 41.8 -58.8 -49.2 -54.2 14.3 -21.5 180 227 A A H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.932 113.6 55.6 -62.8 -44.5 -50.8 12.9 -20.3 181 228 A G H X S+ 0 0 13 -4,-2.8 4,-2.9 -5,-0.3 -2,-0.2 0.889 109.5 43.5 -55.5 -45.9 -49.8 16.4 -19.2 182 229 A E H X S+ 0 0 103 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.867 110.4 54.4 -76.1 -33.4 -52.8 16.9 -16.9 183 230 A A H X S+ 0 0 25 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.952 114.9 42.7 -59.1 -47.6 -52.7 13.5 -15.4 184 231 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 3,-0.8 0.957 114.6 48.4 -61.8 -54.2 -49.0 14.1 -14.5 185 232 A A H ><5S+ 0 0 51 -4,-2.9 3,-1.5 1,-0.3 -2,-0.2 0.900 111.2 50.5 -55.5 -43.5 -49.6 17.7 -13.3 186 233 A E H 3<5S+ 0 0 166 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.752 105.7 57.4 -70.6 -20.6 -52.5 16.7 -11.1 187 234 A A T <<5S- 0 0 17 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.369 127.9 -95.8 -90.3 4.9 -50.4 13.9 -9.6 188 235 A G T < 5S+ 0 0 50 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.572 77.5 141.2 97.3 10.2 -47.8 16.4 -8.4 189 236 A F < - 0 0 5 -5,-2.2 2,-0.7 -6,-0.2 -1,-0.3 -0.713 57.3-123.4 -83.2 131.5 -45.3 16.1 -11.3 190 237 A T - 0 0 83 -2,-0.4 -29,-2.3 -32,-0.4 2,-0.4 -0.675 43.5-165.0 -71.2 115.6 -43.7 19.3 -12.5 191 238 A T E -f 161 0A 42 -2,-0.7 2,-0.3 -31,-0.2 -29,-0.2 -0.908 17.7-177.5-121.4 133.2 -44.7 19.2 -16.1 192 239 A Y E -f 162 0A 122 -31,-3.3 -29,-2.6 -2,-0.4 2,-0.3 -0.812 7.1-159.3-122.0 162.4 -43.6 21.0 -19.2 193 240 A G E -f 163 0A 51 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.987 13.0-175.0-141.8 148.9 -44.6 21.0 -22.9 194 241 A H E -f 164 0A 46 -31,-2.1 -29,-1.7 -2,-0.3 2,-0.5 -0.948 17.2-148.4-141.1 128.1 -43.4 21.9 -26.3 195 242 A V E -f 165 0A 44 -2,-0.3 2,-1.2 -31,-0.2 -29,-0.2 -0.823 7.5-146.5 -94.5 125.1 -45.6 21.6 -29.4 196 243 A M E > -f 166 0A 0 -31,-2.9 3,-1.8 -2,-0.5 -29,-1.6 -0.775 27.3-142.0 -87.4 93.3 -43.8 20.8 -32.7 197 244 A K T 3 S+ 0 0 171 -2,-1.2 3,-0.1 1,-0.3 -31,-0.1 -0.365 77.5 2.4 -65.5 126.7 -46.0 22.9 -35.0 198 245 A G T 3 S+ 0 0 64 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.457 102.0 130.8 79.3 1.1 -46.7 21.2 -38.3 199 246 A T < - 0 0 27 -3,-1.8 -31,-2.5 -34,-0.1 -1,-0.3 -0.661 41.2-159.6 -92.0 142.5 -44.8 18.1 -37.3 200 247 A G - 0 0 25 -2,-0.3 2,-1.3 -33,-0.1 -31,-0.4 0.289 58.9 -36.2 -86.3-140.6 -46.1 14.6 -37.6 201 248 A H S S+ 0 0 59 -33,-0.3 2,-0.3 -36,-0.1 -1,-0.1 -0.685 110.8 71.3 -89.4 84.6 -44.9 11.5 -35.7 202 249 A G S S- 0 0 24 -2,-1.3 2,-0.7 -84,-0.0 -60,-0.1 -0.958 87.4 -82.8-178.2 175.0 -41.2 12.2 -35.5 203 250 A I - 0 0 54 -2,-0.3 -2,-0.1 -62,-0.1 -86,-0.0 -0.882 39.9-164.0-105.7 109.3 -38.6 14.5 -33.8 204 251 A A >> - 0 0 18 -2,-0.7 4,-2.0 -4,-0.1 3,-0.8 -0.493 36.2-102.5 -84.4 159.5 -38.2 17.9 -35.4 205 252 A P H 3> S+ 0 0 106 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.857 121.7 54.5 -49.9 -43.2 -35.2 20.2 -34.7 206 253 A D H 3> S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.856 107.8 51.2 -62.3 -34.2 -37.2 22.4 -32.3 207 254 A G H <> S+ 0 0 0 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.913 111.3 46.4 -66.2 -43.2 -38.2 19.3 -30.3 208 255 A L H X S+ 0 0 33 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.905 110.7 54.9 -64.4 -39.6 -34.6 18.2 -30.0 209 256 A S H X S+ 0 0 79 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.916 110.3 43.6 -60.3 -47.1 -33.6 21.8 -29.1 210 257 A V H X S+ 0 0 46 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.857 111.5 54.4 -69.5 -33.9 -36.1 22.0 -26.2 211 258 A A H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.921 108.3 50.6 -64.4 -41.7 -35.2 18.5 -25.0 212 259 A L H X S+ 0 0 26 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.943 110.0 48.3 -60.3 -50.2 -31.5 19.5 -24.9 213 260 A A H X S+ 0 0 60 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.922 112.8 49.8 -56.2 -45.1 -32.3 22.6 -22.8 214 261 A F H X S+ 0 0 22 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.917 115.9 41.6 -60.5 -46.6 -34.4 20.5 -20.4 215 262 A L H X S+ 0 0 2 -4,-2.7 4,-3.2 2,-0.2 3,-0.4 0.946 110.3 56.1 -65.8 -49.7 -31.6 17.9 -20.0 216 263 A K H < S+ 0 0 110 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 112.7 43.7 -53.9 -33.3 -28.8 20.4 -19.8 217 264 A E H < S+ 0 0 147 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.789 119.3 40.6 -84.1 -28.9 -30.6 22.1 -16.9 218 265 A R H < S+ 0 0 92 -4,-1.4 -2,-0.2 -3,-0.4 -3,-0.2 0.788 98.2 81.2 -91.5 -31.5 -31.6 18.9 -15.0 219 266 A L < 0 0 17 -4,-3.2 -108,-0.1 -5,-0.1 -199,-0.1 -0.588 360.0 360.0 -82.2 136.8 -28.5 16.7 -15.4 220 267 A P 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -200,-0.1 0.598 360.0 360.0 -69.3 360.0 -25.5 17.3 -13.0