==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(CARBOXYLIC ESTERASE) 28-FEB-94 1TCB . COMPND 2 MOLECULE: LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ANTARCTICA; . AUTHOR J.UPPENBERG,T.A.JONES . 634 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 3.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 33 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 10 0 2 4 0 2 0 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 6 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 PARALLEL BRIDGES PER LADDER . 7 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 1 A L 0 0 112 0, 0.0 170,-0.1 0, 0.0 116,-0.1 0.000 360.0 360.0 360.0 131.2 -2.9 5.7 48.3 2 2 A P + 0 0 27 0, 0.0 2,-0.3 0, 0.0 116,-0.1 -0.137 360.0 177.8 -51.4 145.4 -0.5 6.6 51.2 3 3 A S + 0 0 99 2,-0.1 2,-0.3 114,-0.1 113,-0.0 -0.842 32.3 46.6-141.7 178.5 -1.9 9.1 53.7 4 4 A G S S+ 0 0 59 -2,-0.3 2,-0.1 115,-0.1 116,-0.1 -0.661 95.6 3.6 90.2-142.4 -1.0 10.9 57.0 5 5 A S S S- 0 0 116 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.387 75.4-104.1 -83.8 160.1 2.3 12.6 57.6 6 6 A D - 0 0 53 112,-0.1 112,-0.2 -2,-0.1 -1,-0.1 -0.514 38.1-105.7 -80.1 147.9 5.2 13.0 55.1 7 7 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.304 45.8 -95.1 -65.9 156.8 8.3 10.8 55.4 8 8 A A - 0 0 89 1,-0.1 2,-0.2 2,-0.0 3,-0.0 -0.426 39.9-108.2 -73.1 151.5 11.4 12.5 56.8 9 9 A F - 0 0 77 1,-0.1 -1,-0.1 -2,-0.1 4,-0.1 -0.586 15.4-153.4 -76.6 142.7 13.9 14.0 54.4 10 10 A S S S+ 0 0 64 -2,-0.2 -1,-0.1 2,-0.1 68,-0.1 0.701 79.2 65.0 -85.8 -22.4 17.2 12.1 54.1 11 11 A Q S S- 0 0 62 67,-0.1 -2,-0.1 1,-0.1 2,-0.0 -0.735 95.9 -99.2-102.8 149.9 19.0 15.3 53.1 12 12 A P >> - 0 0 74 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.358 30.6-122.2 -63.0 144.9 19.6 18.5 55.2 13 13 A K H 3> S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.857 112.6 57.3 -58.5 -36.2 17.1 21.3 54.4 14 14 A S H 3> S+ 0 0 87 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.863 106.1 49.5 -63.1 -36.4 20.0 23.7 53.5 15 15 A V H <4 S+ 0 0 56 -3,-0.5 4,-0.4 2,-0.2 -1,-0.2 0.916 112.2 47.6 -68.2 -41.9 21.2 21.2 50.9 16 16 A L H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.889 109.4 53.5 -66.3 -38.8 17.7 20.9 49.4 17 17 A D H >< S+ 0 0 61 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.835 98.9 63.9 -64.2 -33.7 17.2 24.7 49.4 18 18 A A T 3< S+ 0 0 83 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.661 96.8 58.2 -65.9 -17.4 20.5 25.2 47.4 19 19 A G T < S+ 0 0 11 -3,-1.2 48,-1.9 -4,-0.4 2,-0.4 0.377 91.0 87.6 -93.9 4.7 18.9 23.3 44.5 20 20 A L E < +A 66 0A 19 -3,-1.7 2,-0.3 46,-0.2 46,-0.2 -0.894 50.1 167.9-109.8 133.5 16.0 25.7 44.1 21 21 A T E -A 65 0A 66 44,-2.5 44,-2.9 -2,-0.4 2,-0.3 -0.999 16.0-161.2-143.6 143.2 16.1 28.9 41.9 22 22 A a E > -A 64 0A 10 3,-0.5 2,-0.7 -2,-0.3 3,-0.7 -0.937 31.7-107.0-121.9 149.4 13.6 31.4 40.6 23 23 A Q T 3 S- 0 0 81 40,-2.8 3,-0.1 -2,-0.3 -2,-0.0 -0.642 95.7 -18.5 -78.8 113.8 14.0 33.8 37.8 24 24 A G T 3 S+ 0 0 87 -2,-0.7 2,-0.3 1,-0.1 -1,-0.2 0.647 125.6 71.5 69.2 17.8 14.4 37.4 39.0 25 25 A A S < S- 0 0 36 -3,-0.7 -3,-0.5 5,-0.1 5,-0.1 -0.995 77.8-110.0-160.6 158.3 13.0 36.6 42.5 26 26 A S > - 0 0 61 3,-0.5 3,-2.2 -2,-0.3 -5,-0.1 -0.738 29.4-126.7 -90.2 140.1 13.5 34.9 45.8 27 27 A P T 3 S+ 0 0 32 0, 0.0 3,-0.5 0, 0.0 66,-0.2 0.748 110.5 61.3 -56.1 -25.0 11.4 31.8 46.6 28 28 A S T 3 S+ 0 0 91 1,-0.3 2,-0.0 66,-0.1 62,-0.0 0.587 118.3 25.4 -79.5 -11.7 10.3 33.5 49.8 29 29 A S S < S+ 0 0 95 -3,-2.2 -3,-0.5 65,-0.1 2,-0.4 -0.475 85.3 142.1-152.5 73.8 8.7 36.3 47.9 30 30 A V - 0 0 8 63,-1.3 2,-0.5 -3,-0.5 -5,-0.1 -0.941 40.7-135.0-125.1 140.0 7.6 35.3 44.4 31 31 A S S S- 0 0 92 -2,-0.4 31,-0.3 1,-0.2 63,-0.1 -0.805 79.3 -19.6 -96.8 127.7 4.6 36.2 42.3 32 32 A K S S- 0 0 115 -2,-0.5 30,-2.3 62,-0.2 -1,-0.2 0.903 85.5-167.5 45.2 59.5 2.7 33.6 40.4 33 33 A P E -b 62 0A 5 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.342 14.8-159.0 -75.6 154.3 5.5 30.9 40.4 34 34 A I E -b 63 0A 0 28,-1.7 30,-2.5 65,-0.1 2,-0.6 -0.999 15.4-134.3-131.6 131.5 5.6 27.8 38.3 35 35 A L E -bc 64 101A 0 65,-2.3 67,-2.9 -2,-0.4 2,-0.5 -0.785 16.9-163.2 -91.6 123.7 7.8 24.8 39.3 36 36 A L E -bc 65 102A 0 28,-2.5 30,-1.4 -2,-0.6 67,-0.2 -0.913 0.6-163.3-107.4 122.0 9.9 23.3 36.5 37 37 A V E - c 0 103A 0 65,-1.9 67,-1.5 -2,-0.5 70,-0.2 -0.931 18.6-136.8-109.2 115.7 11.4 19.8 37.1 38 38 A P - 0 0 0 0, 0.0 69,-0.3 0, 0.0 2,-0.2 0.032 14.2-110.4 -65.3 169.1 14.2 18.8 34.7 39 39 A G > - 0 0 0 4,-0.2 3,-1.2 67,-0.2 66,-0.1 -0.465 50.6 -61.6 -97.2 172.2 14.9 15.6 32.9 40 40 A T T 3 S+ 0 0 21 1,-0.2 32,-0.2 -2,-0.2 -1,-0.2 -0.193 120.0 16.7 -53.9 135.5 17.6 12.9 33.3 41 41 A G T 3 S+ 0 0 0 30,-1.7 243,-0.3 1,-0.2 2,-0.3 0.687 111.5 89.9 76.9 19.8 21.1 14.2 32.7 42 42 A T < - 0 0 1 -3,-1.2 -1,-0.2 29,-0.4 2,-0.2 -0.956 65.2-130.2-144.0 162.8 20.3 17.9 33.0 43 43 A T > - 0 0 35 -2,-0.3 4,-1.8 28,-0.1 -4,-0.2 -0.567 46.1 -94.7 -98.9 171.5 19.9 20.9 35.3 44 44 A G H >> S+ 0 0 0 1,-0.2 4,-2.1 -2,-0.2 3,-0.5 0.951 125.7 44.4 -51.1 -58.0 16.8 23.1 35.4 45 45 A P H 3> S+ 0 0 35 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.885 110.5 55.1 -56.6 -41.7 18.3 25.7 32.9 46 46 A Q H 34 S+ 0 0 76 1,-0.2 -2,-0.2 2,-0.2 4,-0.2 0.833 113.8 41.8 -62.8 -32.0 19.6 23.0 30.5 47 47 A S H << S+ 0 0 0 -4,-1.8 5,-0.2 -3,-0.5 -1,-0.2 0.855 132.3 17.2 -81.5 -34.8 16.2 21.5 30.3 48 48 A F H ><>S+ 0 0 0 -4,-2.1 5,-2.4 -5,-0.2 3,-1.5 0.485 91.5 94.5-124.4 -3.9 14.1 24.7 30.0 49 49 A D T 3<5S+ 0 0 91 -4,-2.7 -3,-0.1 -5,-0.3 -1,-0.1 0.821 96.4 42.4 -60.4 -30.7 16.2 27.7 29.1 50 50 A S T 3 5S+ 0 0 11 -5,-0.3 -1,-0.3 -4,-0.2 224,-0.2 0.355 133.5 7.9 -96.3 2.4 15.4 27.2 25.4 51 51 A N T <>5S+ 0 0 0 -3,-1.5 4,-1.9 222,-0.1 5,-0.2 0.242 123.0 26.2-143.7 -91.0 11.8 26.5 25.9 52 52 A W H >5S+ 0 0 1 -5,-0.2 4,-1.6 1,-0.2 5,-0.2 0.581 109.3 64.8 -75.6 -9.3 9.5 26.7 29.0 53 53 A I H > S+ 0 0 20 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.858 122.1 53.8 -67.9 -32.7 10.8 32.2 28.4 55 55 A L H X S+ 0 0 2 -4,-1.9 4,-1.0 2,-0.2 -3,-0.2 0.906 109.4 45.3 -68.5 -42.6 7.5 30.7 27.4 56 56 A S H <>S+ 0 0 0 -4,-1.6 5,-2.3 2,-0.2 -1,-0.2 0.841 110.2 55.9 -70.1 -32.9 6.1 30.5 31.0 57 57 A T H ><5S+ 0 0 57 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.912 105.5 51.3 -62.5 -42.9 7.4 34.1 31.6 58 58 A Q H 3<5S+ 0 0 108 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.769 103.2 59.7 -65.5 -26.2 5.3 35.2 28.6 59 59 A L T 3<5S- 0 0 12 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.475 127.2-101.0 -80.3 -2.3 2.3 33.5 30.1 60 60 A G T < 5S+ 0 0 54 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.580 82.3 123.6 96.3 11.0 2.7 35.7 33.1 61 61 A Y < - 0 0 16 -5,-2.3 -1,-0.3 -27,-0.0 -29,-0.2 -0.616 62.6-125.1-100.1 161.9 4.4 33.3 35.5 62 62 A T E - b 0 33A 30 -30,-2.3 -28,-1.7 -31,-0.3 2,-0.2 -0.937 34.2-133.9-103.1 107.4 7.7 33.5 37.4 63 63 A P E + b 0 34A 0 0, 0.0 -40,-2.8 0, 0.0 2,-0.3 -0.432 28.5 177.1 -65.6 130.1 9.7 30.4 36.4 64 64 A a E -Ab 22 35A 0 -30,-2.5 -28,-2.5 -42,-0.3 2,-0.3 -0.957 4.1-177.7-128.3 150.5 11.4 28.5 39.2 65 65 A W E -Ab 21 36A 30 -44,-2.9 -44,-2.5 -2,-0.3 2,-0.3 -0.975 20.6-136.8-147.5 159.1 13.3 25.3 38.9 66 66 A I E -A 20 0A 1 -30,-1.4 -46,-0.2 -2,-0.3 -47,-0.1 -0.884 7.9-165.6-113.2 150.3 15.2 22.6 40.8 67 67 A S - 0 0 33 -48,-1.9 4,-0.2 -2,-0.3 -24,-0.1 -0.600 10.1-164.5-135.8 74.0 18.5 21.1 39.8 68 68 A P > - 0 0 1 0, 0.0 4,-2.8 0, 0.0 5,-0.2 -0.391 38.2 -82.6 -61.1 127.3 19.2 17.9 41.9 69 69 A P T 4 S+ 0 0 73 0, 0.0 5,-0.0 0, 0.0 -50,-0.0 -0.543 106.7 29.5 -85.5 147.6 22.9 16.9 41.6 70 70 A P T >4 S- 0 0 51 0, 0.0 3,-1.9 0, 0.0 -29,-0.2 0.265 126.4 -67.4 -97.3 115.6 24.5 15.4 39.8 71 71 A F T 34 S- 0 0 86 1,-0.3 -30,-1.7 -4,-0.2 -29,-0.4 0.878 93.8 -61.8 51.1 46.9 22.3 16.4 36.7 72 72 A M T 3< S+ 0 0 0 -4,-2.8 -1,-0.3 -31,-0.2 7,-0.1 0.690 112.7 117.8 56.2 21.4 19.3 14.4 37.9 73 73 A L < + 0 0 1 -3,-1.9 80,-2.1 -5,-0.2 81,-0.3 0.641 51.6 84.7 -93.2 -14.9 21.4 11.2 37.7 74 74 A N S S- 0 0 61 78,-0.2 5,-0.2 1,-0.2 77,-0.0 -0.267 99.6 -42.3 -82.3 172.8 21.2 10.3 41.4 75 75 A D >> - 0 0 20 1,-0.1 4,-2.0 3,-0.1 3,-0.7 0.024 47.8-139.5 -35.1 124.8 18.5 8.4 43.3 76 76 A T H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.819 102.3 61.3 -60.0 -34.2 15.0 9.5 42.2 77 77 A Q H 3> S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.839 107.9 43.6 -63.8 -33.3 13.8 9.4 45.8 78 78 A V H <> S+ 0 0 10 -3,-0.7 4,-1.2 2,-0.2 3,-0.3 0.863 109.3 55.4 -79.0 -38.7 16.3 12.1 46.7 79 79 A N H X S+ 0 0 1 -4,-2.0 4,-1.1 1,-0.2 3,-0.3 0.880 104.6 56.2 -58.5 -36.8 15.5 14.1 43.6 80 80 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.841 97.6 62.2 -64.3 -34.3 11.9 14.1 44.8 81 81 A E H X S+ 0 0 2 -4,-0.8 4,-2.4 -3,-0.3 -1,-0.2 0.899 100.2 54.0 -58.4 -40.4 13.0 15.6 48.1 82 82 A Y H X S+ 0 0 14 -4,-1.2 4,-1.9 -3,-0.3 -1,-0.2 0.881 111.3 45.3 -60.8 -39.0 14.2 18.7 46.2 83 83 A M H X S+ 0 0 2 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.917 111.2 50.6 -72.1 -45.3 10.7 19.0 44.6 84 84 A V H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.913 114.0 46.5 -58.9 -42.0 8.8 18.5 47.9 85 85 A N H X S+ 0 0 6 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.906 111.7 51.1 -66.0 -42.1 10.9 21.1 49.6 86 86 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.888 108.6 51.0 -63.8 -40.8 10.5 23.5 46.6 87 87 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.916 110.4 49.1 -64.2 -42.8 6.7 23.2 46.6 88 88 A T H X S+ 0 0 54 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.912 115.0 45.1 -61.8 -42.6 6.5 23.9 50.3 89 89 A A H X S+ 0 0 27 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.910 115.8 44.5 -68.5 -44.5 8.7 27.0 49.9 90 90 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 7,-0.3 0.847 108.9 57.2 -71.7 -35.3 7.0 28.4 46.8 91 91 A Y H <>S+ 0 0 51 -4,-2.5 5,-1.6 -5,-0.2 6,-1.3 0.959 116.1 35.6 -58.5 -52.2 3.5 27.8 48.2 92 92 A A H ><5S+ 0 0 59 -4,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.874 115.0 57.5 -68.7 -37.7 4.3 29.9 51.3 93 93 A G H 3<5S+ 0 0 11 -4,-2.4 -63,-1.3 1,-0.3 -1,-0.2 0.698 105.0 51.7 -67.6 -19.7 6.5 32.3 49.2 94 94 A S T 3<5S- 0 0 22 -4,-1.4 -1,-0.3 -3,-0.4 -62,-0.2 0.213 133.4 -86.3-100.9 13.7 3.6 33.1 46.9 95 95 A G T < 5S- 0 0 50 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.2 0.817 80.2 -58.0 87.4 34.0 1.2 33.9 49.8 96 96 A N S - d 0 131A 3 -67,-1.5 3,-2.2 -2,-0.3 28,-0.2 -0.997 62.2 -39.9-140.5 136.6 10.0 16.7 31.4 105 105 A S T >> S+ 0 0 7 26,-2.1 3,-2.2 -2,-0.3 4,-0.7 -0.234 134.7 11.7 54.1-124.4 11.0 13.1 31.3 106 106 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.789 118.2 75.1 -53.3 -31.2 12.1 11.9 34.8 107 107 A G H <> S+ 0 0 0 -3,-2.2 4,-1.9 -69,-0.3 -1,-0.3 0.802 93.4 52.5 -52.6 -32.2 10.7 15.1 36.2 108 108 A G H <> S+ 0 0 0 -3,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.901 108.7 47.7 -70.3 -43.2 7.2 13.6 35.7 109 109 A L H X S+ 0 0 0 -4,-0.7 4,-2.0 -3,-0.3 -2,-0.2 0.872 112.2 51.4 -63.3 -38.8 8.1 10.4 37.6 110 110 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.903 110.6 48.0 -63.9 -44.1 9.6 12.6 40.4 111 111 A A H X S+ 0 0 2 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.943 114.2 44.9 -63.9 -48.6 6.4 14.7 40.6 112 112 A Q H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.819 111.6 53.1 -67.0 -33.2 4.1 11.7 40.7 113 113 A W H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 5,-0.2 0.897 110.0 49.2 -67.2 -39.4 6.3 9.9 43.3 114 114 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 7,-0.2 0.898 110.3 48.8 -66.1 -43.1 6.2 13.0 45.5 115 115 A L H < S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.792 113.2 50.2 -67.3 -27.3 2.4 13.3 45.3 116 116 A T H < S+ 0 0 0 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.907 124.2 23.7 -77.4 -43.9 2.1 9.6 46.1 117 117 A F H < S+ 0 0 8 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.560 117.4 59.4-104.2 -10.4 4.4 9.4 49.2 118 118 A F >< - 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