==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-FEB-11 3QVQ . COMPND 2 MOLECULE: PHOSPHODIESTERASE OLEI02445; . SOURCE 2 ORGANISM_SCIENTIFIC: OLEISPIRA ANTARCTICA; . AUTHOR A.U.SINGER,O.KAGAN,E.EVDOKIMOVA,M.E.CUFF,A.M.EDWARDS,A.JOACH . 998 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 709 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 151 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 3.2 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 . 4 0.4 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 . 56 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 278 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 4 0 0 0 5 13 10 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 13 7 4 4 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 . 8 0 4 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 . 0 0 0 0 0 0 0 0 0 4 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 0 A G 0 0 5 0, 0.0 142,-0.3 0, 0.0 145,-0.2 0.000 360.0 360.0 360.0-162.3 76.3 -9.5 12.3 2 1 A X + 0 0 6 140,-2.3 144,-1.5 143,-0.2 3,-0.5 0.834 360.0 77.8 -69.8 -31.9 77.2 -8.9 8.7 3 2 A Q S S+ 0 0 7 139,-0.3 163,-0.2 1,-0.2 4,-0.1 -0.356 97.2 18.3 -75.6 156.4 80.5 -10.8 8.8 4 3 A S S > S+ 0 0 31 161,-0.8 3,-2.2 1,-0.1 4,-0.2 0.904 75.2 179.1 51.3 49.4 80.7 -14.6 8.7 5 4 A A G > + 0 0 0 141,-0.5 3,-2.1 -3,-0.5 -1,-0.1 0.741 67.9 69.7 -57.9 -27.2 77.2 -14.7 7.3 6 5 A Y G > S+ 0 0 12 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.756 85.1 70.1 -67.1 -20.6 77.2 -18.5 7.0 7 6 A S G < S+ 0 0 37 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.668 106.1 40.1 -63.7 -17.1 77.1 -18.7 10.8 8 7 A F G < S+ 0 0 46 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.094 83.0 145.1-118.3 17.6 73.5 -17.3 10.4 9 8 A L < - 0 0 31 -3,-1.4 2,-0.1 2,-0.1 -3,-0.1 -0.421 36.5-150.4 -66.1 119.0 72.4 -19.3 7.4 10 9 A P - 0 0 20 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.391 23.3-115.9 -80.3 168.8 68.7 -20.2 7.6 11 10 A Q S S+ 0 0 80 1,-0.2 224,-2.4 223,-0.2 2,-0.4 0.758 100.4 48.6 -74.5 -23.1 67.4 -23.3 5.9 12 11 A V E -a 235 0A 1 222,-0.2 28,-0.7 224,-0.0 2,-0.4 -0.975 62.1-175.7-126.9 126.6 65.2 -21.3 3.5 13 12 A I E -ab 236 40A 0 222,-2.5 224,-2.5 -2,-0.4 2,-0.8 -0.972 31.4-120.5-117.5 133.6 66.2 -18.3 1.4 14 13 A A E > -ab 237 41A 0 26,-2.3 28,-2.8 -2,-0.4 3,-1.9 -0.640 27.6-135.6 -76.8 109.7 63.7 -16.4 -0.7 15 14 A H E 3> S- b 0 42A 17 222,-2.5 4,-0.6 -2,-0.8 28,-0.1 -0.528 87.0 -15.3 -72.9 107.5 64.9 -16.7 -4.3 16 15 A R T 34 S- 0 0 41 26,-1.5 9,-2.1 -2,-0.7 10,-0.4 0.818 130.5 -65.3 63.3 33.6 64.6 -13.2 -5.8 17 16 A G T <4 S- 0 0 0 -3,-1.9 2,-1.8 25,-0.8 13,-0.2 -0.498 102.8 -27.5 81.2-161.3 62.4 -12.5 -2.8 18 17 A S T > S+ 0 0 2 11,-2.4 4,-1.8 1,-0.2 3,-0.3 -0.627 84.1 162.4 -82.9 82.0 59.2 -14.4 -2.5 19 18 A S T < + 0 0 9 -2,-1.8 5,-0.3 -4,-0.6 -1,-0.2 0.475 51.0 76.9 -91.7 -6.7 59.1 -14.6 -6.3 20 19 A G T 4 S+ 0 0 9 218,-2.3 -1,-0.2 -3,-0.1 219,-0.1 0.945 118.4 14.9 -63.0 -48.0 56.6 -17.4 -6.8 21 20 A Q T 4 S+ 0 0 113 217,-0.5 -2,-0.2 -3,-0.3 -1,-0.1 0.866 128.0 51.5 -94.7 -44.1 53.7 -15.0 -6.0 22 21 A A S < S- 0 0 0 -4,-1.8 3,-0.1 1,-0.1 2,-0.1 -0.607 101.2 -84.8 -97.3 155.3 55.3 -11.6 -6.3 23 22 A P > - 0 0 0 0, 0.0 3,-0.7 0, 0.0 6,-0.5 -0.385 56.7-102.8 -60.1 131.5 57.4 -10.3 -9.3 24 23 A E T 3 S+ 0 0 20 -5,-0.3 -7,-0.2 1,-0.2 -8,-0.1 -0.160 96.8 10.0 -51.6 143.2 61.0 -11.4 -8.9 25 24 A N T 3 S+ 0 0 5 -9,-2.1 2,-0.3 17,-0.2 -1,-0.2 0.845 98.9 121.3 58.6 39.5 63.6 -8.9 -7.7 26 25 A T S <> S- 0 0 2 -3,-0.7 4,-1.9 -10,-0.4 -1,-0.2 -0.864 78.7-111.4-124.5 163.3 61.1 -6.2 -6.7 27 26 A L H > S+ 0 0 37 69,-0.4 4,-3.1 -2,-0.3 5,-0.2 0.858 120.1 60.2 -57.6 -32.3 60.3 -4.3 -3.5 28 27 A A H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 105.1 44.8 -61.4 -44.3 57.1 -6.3 -3.7 29 28 A S H > S+ 0 0 0 -6,-0.5 -11,-2.4 2,-0.2 4,-1.9 0.818 114.3 50.7 -73.5 -27.5 58.8 -9.6 -3.5 30 29 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 -13,-0.2 -2,-0.2 0.922 110.8 47.6 -73.3 -43.8 61.0 -8.4 -0.8 31 30 A H H X S+ 0 0 58 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.901 111.1 52.5 -59.6 -41.7 58.1 -7.1 1.3 32 31 A L H X S+ 0 0 22 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.928 108.4 49.4 -63.5 -44.7 56.3 -10.5 0.7 33 32 A A H <>S+ 0 0 0 -4,-1.9 5,-2.2 1,-0.2 4,-0.4 0.926 112.5 48.8 -57.5 -44.2 59.4 -12.4 2.0 34 33 A G H ><5S+ 0 0 12 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.939 111.7 48.0 -59.9 -47.2 59.5 -10.2 5.0 35 34 A Q H 3<5S+ 0 0 138 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.797 107.9 56.3 -66.3 -28.4 55.8 -10.6 5.7 36 35 A Q T 3<5S- 0 0 37 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.468 115.9-114.0 -83.9 -1.6 56.0 -14.4 5.3 37 36 A G T < 5 + 0 0 50 -3,-1.4 -3,-0.2 -4,-0.4 2,-0.2 0.641 56.3 162.7 80.5 16.0 58.7 -14.5 8.0 38 37 A I < - 0 0 7 -5,-2.2 -1,-0.2 -6,-0.2 -25,-0.1 -0.481 32.0-147.8 -71.4 138.7 61.5 -15.6 5.7 39 38 A K S S+ 0 0 130 -27,-0.4 74,-2.3 -2,-0.2 2,-0.3 0.813 72.5 19.0 -81.9 -34.4 64.9 -15.0 7.4 40 39 A W E -bc 13 113A 6 -28,-0.7 -26,-2.3 72,-0.3 2,-0.3 -0.961 62.5-154.2-132.7 154.3 67.1 -14.2 4.3 41 40 A V E -bc 14 114A 0 72,-2.1 74,-2.9 -2,-0.3 2,-0.4 -0.886 7.0-147.6-118.7 156.6 66.5 -13.1 0.7 42 41 A E E +bc 15 115A 5 -28,-2.8 -26,-1.5 -2,-0.3 -25,-0.8 -0.980 24.6 167.8-116.4 135.7 68.6 -13.6 -2.4 43 42 A I E - c 0 116A 0 72,-1.6 74,-2.8 -2,-0.4 2,-0.4 -0.974 30.1-119.2-142.8 158.8 68.6 -11.0 -5.1 44 43 A D E - c 0 117A 1 -2,-0.3 12,-1.4 72,-0.2 2,-0.4 -0.789 24.8-160.1-101.8 138.7 70.7 -10.3 -8.2 45 44 A V E +Dc 55 118A 0 72,-2.5 74,-2.5 -2,-0.4 2,-0.3 -0.939 21.2 145.8-124.4 142.5 72.8 -7.1 -8.7 46 45 A X E -D 54 0A 0 8,-1.9 8,-3.2 -2,-0.4 2,-0.4 -0.897 45.1 -89.9-152.2 176.1 74.2 -5.4 -11.8 47 46 A L E -D 53 0A 15 -2,-0.3 74,-0.1 6,-0.2 81,-0.1 -0.782 28.8-128.3-100.1 142.9 74.9 -1.8 -12.9 48 47 A S > - 0 0 4 4,-2.3 3,-2.1 -2,-0.4 24,-0.2 -0.218 44.2 -90.9 -65.8 170.2 72.6 0.5 -14.8 49 48 A G T 3 S+ 0 0 41 25,-2.9 23,-0.1 22,-0.7 -1,-0.1 0.804 131.1 49.0 -56.0 -30.9 73.9 2.2 -17.9 50 49 A D T 3 S- 0 0 90 24,-0.4 -1,-0.3 2,-0.1 23,-0.1 0.127 125.4 -98.9-100.3 19.6 75.0 5.1 -15.7 51 50 A G S < S+ 0 0 31 -3,-2.1 -2,-0.1 1,-0.2 21,-0.0 0.603 73.8 138.7 86.7 14.9 76.7 3.0 -13.1 52 51 A I - 0 0 65 1,-0.0 -4,-2.3 48,-0.0 2,-0.2 -0.799 58.2-114.1 -95.7 129.5 74.1 2.6 -10.3 53 52 A P E +D 47 0A 5 0, 0.0 47,-2.4 0, 0.0 48,-0.4 -0.437 43.7 179.4 -61.1 124.3 73.7 -0.8 -8.7 54 53 A V E -DE 46 99A 0 -8,-3.2 -8,-1.9 45,-0.3 2,-0.7 -0.884 31.0-115.7-127.3 159.3 70.2 -2.1 -9.6 55 54 A I E +D 45 0A 1 43,-2.9 2,-0.3 -2,-0.3 -10,-0.2 -0.846 60.0 120.1-103.1 114.4 68.3 -5.3 -8.7 56 55 A F - 0 0 6 -12,-1.4 63,-0.1 -2,-0.7 -31,-0.1 -0.963 46.3-149.9-171.7 149.6 67.6 -7.4 -11.8 57 56 A H + 0 0 43 -2,-0.3 -1,-0.1 -33,-0.1 2,-0.1 0.873 69.5 63.2-100.5 -48.3 68.4 -10.8 -13.2 58 57 A D - 0 0 34 2,-0.2 13,-0.1 1,-0.1 61,-0.0 -0.358 68.1-133.9 -82.5 159.8 68.5 -10.8 -17.0 59 58 A D S S+ 0 0 63 12,-0.1 12,-2.3 11,-0.1 13,-0.5 0.857 95.2 56.8 -69.5 -38.7 70.8 -8.9 -19.4 60 59 A Y B S-K 70 0B 118 10,-0.2 3,-0.4 11,-0.1 4,-0.3 -0.680 76.9-139.6-103.2 152.7 67.8 -7.9 -21.4 61 60 A L S > S+ 0 0 3 8,-2.5 4,-0.9 -2,-0.3 6,-0.5 0.621 79.5 82.8 -84.0 -16.4 64.7 -6.0 -20.2 62 61 A S T 4 S+ 0 0 73 1,-0.2 -1,-0.2 7,-0.2 6,-0.1 0.701 80.3 59.4 -75.7 -23.0 61.8 -7.7 -22.0 63 62 A R T 4 S+ 0 0 103 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.956 121.4 19.9 -68.6 -48.1 61.1 -10.7 -19.7 64 63 A T T 4 S+ 0 0 7 -4,-0.3 2,-0.3 -3,-0.2 -2,-0.2 0.262 125.4 39.7-111.8 10.7 60.3 -8.9 -16.5 65 64 A T S < S- 0 0 12 -4,-0.9 19,-0.2 2,-0.2 31,-0.0 -0.907 79.4-112.3-143.4 175.8 59.5 -5.4 -17.7 66 65 A D S S+ 0 0 103 17,-0.6 -4,-0.1 -2,-0.3 18,-0.1 0.256 89.2 99.0 -90.3 10.4 57.6 -3.6 -20.5 67 66 A G - 0 0 8 -6,-0.5 2,-0.3 16,-0.2 -2,-0.2 -0.287 61.7-142.6 -91.2 178.1 61.0 -2.3 -21.7 68 67 A D + 0 0 128 -7,-0.1 2,-0.2 -2,-0.1 -2,-0.1 -0.999 51.1 29.8-144.2 140.9 63.4 -3.5 -24.4 69 68 A G S S- 0 0 32 -2,-0.3 -8,-2.5 5,-0.0 2,-0.5 -0.526 92.8 -28.4 109.7-174.7 67.2 -3.7 -24.7 70 69 A L B > -K 60 0B 14 -10,-0.2 3,-1.9 -2,-0.2 -10,-0.2 -0.655 38.3-149.7 -84.8 124.7 70.2 -4.2 -22.4 71 70 A I G > S+ 0 0 0 -12,-2.3 3,-1.9 -2,-0.5 -22,-0.7 0.893 99.9 63.1 -54.6 -36.3 69.8 -3.1 -18.8 72 71 A Y G 3 S+ 0 0 19 -13,-0.5 -1,-0.3 1,-0.3 -21,-0.2 0.666 106.3 44.1 -63.6 -18.2 73.6 -2.4 -18.9 73 72 A K G < S+ 0 0 103 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.198 97.7 89.6-110.8 13.4 73.0 0.2 -21.6 74 73 A T S < S- 0 0 10 -3,-1.9 -25,-2.9 -4,-0.1 -24,-0.4 -0.945 73.5-126.5-120.3 126.1 70.0 1.9 -20.0 75 74 A P >> - 0 0 51 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.348 25.0-114.7 -70.9 153.0 70.2 4.9 -17.5 76 75 A L H 3> S+ 0 0 34 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.864 113.7 58.5 -53.5 -44.1 68.5 4.6 -14.2 77 76 A A H 34 S+ 0 0 78 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.880 111.4 42.6 -56.1 -38.8 66.0 7.4 -14.9 78 77 A E H X4 S+ 0 0 104 -3,-0.8 3,-1.3 1,-0.2 4,-0.4 0.892 111.2 54.6 -74.1 -41.2 64.8 5.5 -18.0 79 78 A L H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 18,-0.4 0.880 101.3 60.8 -57.1 -37.7 64.8 2.1 -16.1 80 79 A K T 3< S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.609 95.3 61.0 -71.3 -12.4 62.5 3.7 -13.4 81 80 A Q T < S+ 0 0 161 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.628 87.1 101.7 -84.7 -13.2 59.8 4.4 -16.0 82 81 A L S < S- 0 0 27 -3,-1.5 2,-0.8 -4,-0.4 15,-0.3 -0.409 75.6-125.9 -77.5 147.0 59.5 0.7 -16.7 83 82 A D + 0 0 32 1,-0.1 -17,-0.6 -2,-0.1 4,-0.2 -0.827 29.6 175.4 -91.2 108.9 56.8 -1.5 -15.3 84 83 A A S S+ 0 0 4 11,-2.6 12,-0.2 -2,-0.8 -1,-0.1 0.186 71.3 43.7-102.3 16.2 58.5 -4.4 -13.5 85 84 A G S >> S+ 0 0 0 10,-0.4 3,-2.1 8,-0.2 4,-1.7 0.673 83.3 80.3-129.9 -31.7 55.4 -6.1 -12.1 86 85 A S T 34 S+ 0 0 31 6,-0.3 7,-0.1 1,-0.3 5,-0.1 0.810 86.3 65.5 -57.6 -33.4 52.5 -6.3 -14.5 87 86 A W T 34 S+ 0 0 98 1,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.780 109.9 40.2 -58.5 -24.9 54.0 -9.4 -16.3 88 87 A K T <4 S- 0 0 73 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.841 136.4 -30.2 -91.2 -40.2 53.4 -11.2 -13.0 89 88 A G >< - 0 0 13 -4,-1.7 3,-2.1 1,-0.1 -1,-0.3 -0.883 50.8-113.7-178.5 147.2 50.0 -9.7 -12.0 90 89 A Q G > S+ 0 0 136 1,-0.3 3,-1.6 -2,-0.3 4,-0.1 0.779 111.9 66.1 -60.6 -28.6 48.0 -6.5 -12.5 91 90 A E G 3 S+ 0 0 140 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.636 98.0 55.4 -68.1 -12.7 48.2 -5.8 -8.8 92 91 A Y G X + 0 0 31 -3,-2.1 3,-2.3 -7,-0.2 -6,-0.3 0.204 69.2 119.5-104.3 14.4 51.9 -5.3 -9.2 93 92 A Q T < S+ 0 0 88 -3,-1.6 -7,-0.2 1,-0.3 -8,-0.2 0.731 71.0 55.1 -54.4 -28.5 51.6 -2.6 -11.9 94 93 A Q T 3 S+ 0 0 152 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.529 80.0 119.1 -86.3 -5.4 53.4 0.0 -9.8 95 94 A E < - 0 0 41 -3,-2.3 -11,-2.6 -12,-0.0 -10,-0.4 -0.338 43.3-168.5 -66.2 140.0 56.5 -2.1 -9.2 96 95 A T - 0 0 39 -13,-0.2 -69,-0.4 -12,-0.2 -16,-0.1 -0.727 36.9 -87.5-117.4 168.9 59.9 -0.7 -10.5 97 96 A I - 0 0 2 -18,-0.4 -71,-0.1 -15,-0.3 2,-0.1 -0.715 56.7-133.9 -71.3 117.0 63.4 -2.1 -10.9 98 97 A P - 0 0 0 0, 0.0 -43,-2.9 0, 0.0 2,-0.2 -0.442 3.3-126.9 -76.7 148.0 64.8 -1.3 -7.5 99 98 A T B > -E 54 0A 16 -45,-0.2 4,-2.2 -2,-0.1 -45,-0.3 -0.536 31.8-110.8 -73.2 160.4 68.2 0.2 -6.8 100 99 A L H > S+ 0 0 1 -47,-2.4 4,-2.6 1,-0.2 5,-0.2 0.905 121.4 55.9 -57.7 -40.2 70.3 -1.8 -4.5 101 100 A L H > S+ 0 0 20 -48,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.925 107.0 47.5 -58.4 -46.3 69.9 1.0 -2.0 102 101 A E H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 111.7 50.7 -64.1 -39.4 66.1 0.8 -2.2 103 102 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.914 107.4 53.3 -63.8 -44.8 66.2 -3.0 -1.8 104 103 A I H X S+ 0 0 3 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.890 104.7 57.0 -55.6 -41.2 68.4 -2.7 1.3 105 104 A E H X S+ 0 0 97 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.950 112.1 39.7 -57.5 -49.5 65.9 -0.3 2.8 106 105 A V H X S+ 0 0 12 -4,-1.6 4,-1.0 1,-0.2 3,-0.3 0.929 115.7 50.8 -67.4 -45.8 63.1 -2.9 2.6 107 106 A I H ><>S+ 0 0 0 -4,-2.9 5,-1.9 1,-0.2 3,-0.7 0.923 109.7 50.2 -58.2 -45.8 65.2 -5.8 3.6 108 107 A S H ><5S+ 0 0 43 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.797 98.8 67.2 -67.2 -29.3 66.6 -4.1 6.7 109 108 A Q H 3<5S+ 0 0 130 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.876 107.4 39.5 -56.3 -40.0 63.1 -3.2 7.8 110 109 A Y T <<5S- 0 0 64 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.385 112.7-119.1 -91.3 0.3 62.3 -6.8 8.4 111 110 A G T < 5 + 0 0 45 -3,-1.1 -3,-0.2 -4,-0.3 2,-0.2 0.817 59.1 158.2 65.8 31.7 65.7 -7.6 9.8 112 111 A X < - 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