==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUN-13 4BRI . COMPND 2 MOLECULE: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR M.ZEBISCH,P.SCHAEFER,P.LAUBLE,N.STRAETER . 715 3 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 504 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 12.9 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 34 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.5 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 5 2 1 0 0 0 4 4 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 0 2 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 . 2 2 0 2 0 2 2 2 2 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 2 0 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 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 34 A M 0 0 140 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 136.0 60.5 1.3 -18.8 2 35 A D - 0 0 78 1,-0.1 2,-0.4 3,-0.0 4,-0.1 -0.453 360.0 -98.2 -76.9 159.1 63.0 2.8 -21.3 3 36 A T S S+ 0 0 128 1,-0.3 4,-0.1 -2,-0.1 -1,-0.1 -0.726 115.5 11.6 -71.7 132.3 66.7 2.5 -21.0 4 37 A N S > S- 0 0 99 -2,-0.4 3,-2.0 1,-0.1 4,-0.3 0.987 79.9-174.6 58.7 58.4 67.8 5.8 -19.4 5 38 A P G >> S+ 0 0 16 0, 0.0 3,-1.5 0, 0.0 4,-1.0 0.779 74.3 68.8 -55.2 -25.6 64.2 6.7 -18.4 6 39 A a G 34 S+ 0 0 28 1,-0.3 5,-0.1 2,-0.2 -2,-0.1 0.545 90.6 59.4 -79.6 -0.7 65.5 10.1 -17.1 7 40 A E G <4 S+ 0 0 150 -3,-2.0 -1,-0.3 -4,-0.1 3,-0.1 0.554 116.1 36.2 -91.9 -7.7 66.4 11.3 -20.7 8 41 A K T <4 S+ 0 0 146 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.2 0.463 124.0 26.8-119.3 -14.1 62.7 10.8 -21.5 9 42 A H S < S- 0 0 58 -4,-1.0 21,-0.2 21,-0.1 -1,-0.2 -0.961 86.9 -85.4-146.9 159.6 60.9 11.8 -18.3 10 43 A S E -A 29 0A 61 19,-1.6 19,-2.3 -2,-0.3 2,-0.3 -0.436 47.4-164.6 -60.5 143.9 61.2 14.0 -15.2 11 44 A a E +A 28 0A 12 17,-0.2 2,-0.3 -5,-0.1 17,-0.2 -1.000 14.1 177.3-136.6 145.2 63.1 12.3 -12.4 12 45 A I E -A 27 0A 0 15,-1.9 15,-2.6 -2,-0.3 2,-0.4 -0.974 21.2-137.2-141.4 147.0 63.5 13.0 -8.7 13 46 A A E -Ab 26 80A 0 66,-2.6 68,-1.8 -2,-0.3 2,-0.4 -0.918 19.2-174.3-101.4 134.2 65.4 11.2 -5.8 14 47 A V E -Ab 25 81A 0 11,-2.9 11,-2.5 -2,-0.4 2,-0.5 -0.998 7.3-158.8-130.2 128.9 63.7 10.8 -2.5 15 48 A I E -Ab 24 82A 0 66,-2.9 68,-2.3 -2,-0.4 2,-0.8 -0.948 6.7-155.3-112.6 121.5 65.5 9.3 0.5 16 49 A D E -Ab 23 83A 4 7,-2.7 7,-2.3 -2,-0.5 2,-1.3 -0.902 8.7-165.0 -89.2 109.8 63.6 7.8 3.5 17 50 A A E +Ab 22 84A 2 66,-2.4 68,-2.1 -2,-0.8 71,-0.3 -0.717 23.0 179.2 -99.5 81.4 66.1 8.1 6.4 18 51 A G - 0 0 6 3,-1.7 34,-0.5 -2,-1.3 35,-0.3 -0.172 43.1-101.7 -77.7 169.0 64.2 5.7 8.7 19 52 A S S S+ 0 0 27 1,-0.2 32,-0.6 32,-0.1 35,-0.1 0.853 120.5 34.9 -66.2 -33.0 65.2 4.6 12.2 20 53 A T S S- 0 0 70 1,-0.3 2,-0.3 30,-0.2 -1,-0.2 0.528 130.8 -24.9 -99.0 -4.9 66.6 1.2 11.0 21 54 A G - 0 0 2 -3,-0.3 -3,-1.7 29,-0.2 2,-0.4 -0.972 61.5-100.2 170.3 167.3 68.1 2.2 7.6 22 55 A S E -AC 17 48A 0 26,-1.8 26,-2.4 28,-0.3 2,-0.5 -0.917 25.0-160.9-113.8 145.1 68.0 4.6 4.7 23 56 A R E -AC 16 47A 51 -7,-2.3 -7,-2.7 -2,-0.4 2,-0.5 -0.967 3.2-157.7-130.0 123.2 66.3 3.9 1.3 24 57 A L E -AC 15 46A 0 22,-3.0 22,-2.0 -2,-0.5 2,-0.4 -0.801 14.1-175.9 -94.1 124.6 67.1 5.9 -1.9 25 58 A H E -AC 14 45A 4 -11,-2.5 -11,-2.9 -2,-0.5 2,-0.5 -0.998 12.6-161.3-116.5 140.0 64.4 5.8 -4.4 26 59 A I E -AC 13 44A 0 18,-2.7 17,-3.3 -2,-0.4 18,-1.2 -0.969 14.7-168.7-115.4 122.9 64.6 7.4 -7.9 27 60 A Y E -AC 12 42A 6 -15,-2.6 -15,-1.9 -2,-0.5 2,-0.3 -0.938 10.9-156.2-111.2 135.1 61.2 8.0 -9.6 28 61 A S E +AC 11 41A 6 13,-2.6 13,-2.4 -2,-0.4 2,-0.3 -0.776 27.0 161.6 -96.0 151.9 60.5 8.9 -13.2 29 62 A Y E -A 10 0A 16 -19,-2.3 -19,-1.6 -2,-0.3 2,-0.2 -0.991 32.6-140.2-159.6 163.7 57.2 10.7 -14.0 30 63 A D E - C 0 38A 49 8,-2.4 8,-2.3 -2,-0.3 2,-0.4 -0.617 29.0-125.5-109.6 179.2 55.3 12.8 -16.5 31 64 A T E - C 0 37A 50 6,-0.3 4,-0.0 -2,-0.2 -2,-0.0 -0.995 11.2-137.0-134.3 140.4 53.0 15.7 -15.5 32 65 A D > - 0 0 44 4,-2.5 3,-2.1 -2,-0.4 4,-0.1 -0.031 55.9 -64.4 -75.5-171.3 49.3 16.3 -16.3 33 66 A D T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.666 136.0 48.8 -52.2 -19.5 47.8 19.7 -17.3 34 67 A T T 3 S- 0 0 103 2,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.179 118.4-103.7-107.0 20.7 48.7 21.2 -13.8 35 68 A N S < S+ 0 0 132 -3,-2.1 -2,-0.1 1,-0.2 -4,-0.0 0.778 76.2 144.0 56.8 26.6 52.3 20.0 -13.6 36 69 A T - 0 0 24 -4,-0.1 -4,-2.5 1,-0.0 -1,-0.2 -0.837 56.4-106.3 -90.4 134.3 51.2 17.3 -11.2 37 70 A P E +C 31 0A 11 0, 0.0 -6,-0.3 0, 0.0 2,-0.3 -0.340 43.9 169.2 -63.7 144.0 53.1 14.0 -11.6 38 71 A I E +C 30 0A 26 -8,-2.3 -8,-2.4 1,-0.1 0, 0.0 -0.842 58.3 37.2-138.0 169.5 51.4 11.0 -13.2 39 72 A H E S- 0 0 118 -2,-0.3 2,-0.3 -10,-0.2 -1,-0.1 0.881 76.2-173.7 53.1 43.3 52.8 7.7 -14.4 40 73 A I E + 0 0 14 -11,-0.1 2,-0.4 -3,-0.1 -11,-0.2 -0.540 5.0 178.6 -71.9 129.2 55.2 7.5 -11.5 41 74 A E E -C 28 0A 104 -13,-2.4 -13,-2.6 -2,-0.3 2,-0.6 -0.988 30.4-125.8-134.0 141.2 57.6 4.6 -11.8 42 75 A E E +C 27 0A 68 -2,-0.4 -15,-0.2 -15,-0.2 3,-0.1 -0.749 29.4 174.1 -83.8 117.6 60.5 3.6 -9.5 43 76 A I E + 0 0 31 -17,-3.3 2,-0.3 -2,-0.6 -16,-0.2 0.619 63.8 10.0-103.7 -11.3 63.6 3.3 -11.6 44 77 A W E +C 26 0A 75 -18,-1.2 -18,-2.7 29,-0.0 -1,-0.3 -0.962 57.4 177.7-160.9 142.6 66.1 2.6 -8.9 45 78 A N E +C 25 0A 56 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.989 2.7 179.9-144.1 151.1 66.3 1.8 -5.2 46 79 A K E -C 24 0A 51 -22,-2.0 -22,-3.0 -2,-0.3 2,-0.4 -0.946 8.8-162.9-145.6 131.1 69.0 1.1 -2.7 47 80 A K E -C 23 0A 115 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.941 11.6-179.6-113.1 133.2 68.6 0.3 1.0 48 81 A I E -C 22 0A 13 -26,-2.4 -26,-1.8 -2,-0.4 -2,-0.0 -0.908 19.6-105.9-126.5 156.5 71.4 0.5 3.5 49 82 A K S S+ 0 0 130 -2,-0.3 -28,-0.2 -28,-0.2 2,-0.1 -0.887 73.2 40.5-119.5 157.8 71.8 -0.1 7.3 50 83 A P S S- 0 0 28 0, 0.0 -28,-0.3 0, 0.0 -29,-0.2 0.651 86.2 -94.6 -86.2-167.4 72.0 1.2 9.9 51 84 A G > - 0 0 2 -32,-0.6 3,-1.1 -30,-0.2 4,-0.4 -0.278 28.2-120.5 -66.6 150.0 69.9 4.4 10.4 52 85 A F G > S+ 0 0 1 -34,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.886 113.5 57.2 -57.2 -43.8 71.4 7.8 9.7 53 86 A A G 3 S+ 0 0 19 -35,-0.3 -1,-0.3 1,-0.3 -34,-0.1 0.695 97.5 63.6 -65.1 -17.0 70.7 8.9 13.3 54 87 A S G < S+ 0 0 73 -3,-1.1 -1,-0.3 -35,-0.1 -2,-0.2 0.607 87.0 87.4 -86.5 -7.0 72.8 6.0 14.6 55 88 A I S < S- 0 0 24 -3,-1.5 357,-0.0 -4,-0.4 7,-0.0 -0.459 86.3-109.7 -88.1 158.5 76.1 7.2 13.0 56 89 A Q - 0 0 97 -2,-0.1 2,-1.2 1,-0.0 5,-0.2 -0.791 39.7-128.8 -81.6 120.5 78.6 9.6 14.7 57 90 A P + 0 0 29 0, 0.0 2,-0.3 0, 0.0 45,-0.0 -0.541 57.6 119.2 -87.5 104.3 78.3 12.7 12.7 58 91 A N S > S- 0 0 67 -2,-1.2 4,-2.2 41,-0.0 5,-0.3 -0.888 77.3 -92.1-138.7 175.5 81.6 14.1 11.4 59 92 A S H > S+ 0 0 68 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.751 120.4 52.9 -65.6 -27.5 82.7 14.6 7.9 60 93 A V H > S+ 0 0 108 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.974 114.1 39.0 -70.1 -54.1 84.4 11.1 7.5 61 94 A T H > S+ 0 0 45 2,-0.2 4,-2.5 -5,-0.2 -2,-0.2 0.865 117.0 51.3 -66.0 -37.1 81.4 9.0 8.6 62 95 A I H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.942 110.8 48.1 -70.3 -43.0 78.9 11.2 6.8 63 96 A D H X S+ 0 0 75 -4,-1.8 4,-2.5 -5,-0.3 5,-0.2 0.938 112.9 48.4 -56.8 -47.7 80.9 11.0 3.6 64 97 A A H X S+ 0 0 55 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.917 114.2 47.2 -62.2 -38.0 81.2 7.2 3.9 65 98 A Y H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.963 114.8 43.0 -71.3 -49.5 77.4 6.9 4.6 66 99 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.4 0.860 113.0 54.5 -66.1 -37.8 76.2 9.1 1.7 67 100 A T H X S+ 0 0 60 -4,-2.5 4,-2.2 -5,-0.3 5,-0.4 0.943 109.5 47.6 -56.0 -48.0 78.8 7.4 -0.6 68 101 A M H < S+ 0 0 86 -4,-2.2 4,-0.2 -5,-0.2 -2,-0.2 0.879 117.6 42.4 -63.2 -37.7 77.4 4.0 0.3 69 102 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.886 130.4 18.4 -71.2 -41.3 73.8 5.3 -0.3 70 103 A L H >< S+ 0 0 1 -4,-2.5 3,-1.6 -5,-0.2 -3,-0.2 0.682 95.1 86.2-108.9 -30.0 74.3 7.3 -3.5 71 104 A A T 3< S+ 0 0 58 -4,-2.2 -3,-0.1 -5,-0.4 -4,-0.1 0.827 93.6 44.6 -57.6 -39.3 77.5 6.5 -5.4 72 105 A D T 3 S+ 0 0 86 -5,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.410 80.2 126.5 -92.5 7.0 76.2 3.6 -7.6 73 106 A A < - 0 0 8 -3,-1.6 -29,-0.0 1,-0.1 -3,-0.0 -0.376 65.9-128.0 -58.2 145.0 72.9 5.2 -8.6 74 107 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.609 92.3 29.2 -78.6 -13.6 72.5 5.2 -12.4 75 108 A I + 0 0 36 1,-0.1 3,-0.1 -69,-0.0 37,-0.0 -0.978 55.2 169.6-144.5 137.7 71.7 8.9 -12.6 76 109 A H + 0 0 48 -2,-0.3 2,-1.8 1,-0.1 38,-0.2 0.599 58.0 87.4-118.0 -21.3 72.9 11.7 -10.2 77 110 A N S S+ 0 0 89 36,-0.2 36,-0.2 37,-0.0 -1,-0.1 -0.340 72.1 95.9 -86.0 62.4 72.0 15.1 -11.8 78 111 A I S S- 0 0 10 -2,-1.8 36,-2.3 -3,-0.1 -66,-0.2 -0.882 83.7 -81.0-145.0 160.3 68.4 15.3 -10.4 79 112 A P E - d 0 114A 25 0, 0.0 -66,-2.6 0, 0.0 2,-0.4 -0.425 43.7-152.4 -70.3 147.5 66.8 17.0 -7.3 80 113 A V E -bd 13 115A 0 34,-2.0 36,-3.1 -68,-0.2 37,-1.2 -0.989 12.1-166.0-124.0 134.1 67.2 15.2 -4.0 81 114 A Y E -bd 14 117A 12 -68,-1.8 -66,-2.9 -2,-0.4 2,-0.6 -0.990 6.7-168.0-114.5 121.2 64.8 15.3 -0.9 82 115 A F E +bd 15 118A 0 35,-2.7 37,-2.2 -2,-0.5 2,-0.6 -0.952 12.8 177.2-110.6 107.7 66.5 13.8 2.2 83 116 A Y E -bd 16 119A 14 -68,-2.3 -66,-2.4 -2,-0.6 2,-0.3 -0.939 11.0-161.5-121.5 116.9 63.7 13.3 4.8 84 117 A A E -bd 17 120A 0 35,-2.2 37,-2.6 -2,-0.6 -66,-0.2 -0.654 9.1-169.6 -94.3 152.8 64.5 11.8 8.1 85 118 A T >> - 0 0 6 -68,-2.1 4,-1.7 -2,-0.3 3,-1.0 0.097 51.8 -25.9-118.4-134.0 61.9 10.3 10.4 86 119 A A H 3> S+ 0 0 2 1,-0.3 4,-0.9 2,-0.2 -68,-0.1 0.749 121.2 64.1 -67.6 -29.0 61.6 9.0 13.9 87 120 A G H >4 S+ 0 0 11 1,-0.2 3,-0.6 -70,-0.2 -1,-0.3 0.928 111.0 40.3 -56.8 -38.2 65.2 8.0 14.5 88 121 A M H X4 S+ 0 0 3 -3,-1.0 3,-1.9 -71,-0.3 -2,-0.2 0.858 106.7 63.6 -78.6 -29.5 66.3 11.7 14.1 89 122 A R H 3< S+ 0 0 7 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.667 90.2 68.3 -68.4 -17.1 63.2 12.9 16.1 90 123 A L T << S+ 0 0 19 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.656 94.4 73.7 -70.9 -10.8 64.7 11.0 19.2 91 124 A L S < S- 0 0 38 -3,-1.9 -38,-0.0 -4,-0.2 2,-0.0 -0.737 90.3-109.2-106.6 145.3 67.5 13.6 19.2 92 125 A P >> - 0 0 15 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.340 35.4-108.4 -65.0 155.2 67.3 17.3 20.3 93 126 A Q H 3> S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.845 119.1 59.7 -53.4 -36.6 67.6 20.0 17.5 94 127 A S H 3> S+ 0 0 70 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.877 110.5 41.0 -66.3 -34.3 71.1 20.9 18.7 95 128 A Q H <> S+ 0 0 52 -3,-0.7 4,-1.0 1,-0.2 3,-0.4 0.873 113.1 52.7 -78.6 -40.8 72.3 17.3 18.1 96 129 A Q H X S+ 0 0 25 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.844 99.6 65.6 -58.8 -36.9 70.4 16.9 14.8 97 130 A K H X S+ 0 0 125 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.874 93.3 58.3 -58.8 -39.5 71.9 20.1 13.5 98 131 A K H X S+ 0 0 83 -4,-0.7 4,-2.2 -3,-0.4 5,-0.2 0.953 107.1 50.1 -54.7 -47.3 75.5 18.6 13.5 99 132 A Y H X S+ 0 0 8 -4,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.900 113.9 42.1 -56.2 -50.3 74.1 15.9 11.1 100 133 A Y H X S+ 0 0 23 -4,-1.8 4,-3.5 2,-0.2 5,-0.3 0.876 110.1 56.8 -72.0 -32.8 72.5 18.3 8.7 101 134 A D H X S+ 0 0 72 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.947 113.8 41.6 -61.3 -41.7 75.5 20.8 8.7 102 135 A E H X S+ 0 0 58 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.899 115.5 49.1 -71.0 -44.5 77.7 17.9 7.6 103 136 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.931 111.2 50.1 -58.7 -48.5 75.2 16.5 5.1 104 137 A D H X S+ 0 0 51 -4,-3.5 4,-2.3 1,-0.2 -1,-0.2 0.889 110.4 49.8 -54.7 -43.6 74.7 20.0 3.6 105 138 A Y H X S+ 0 0 108 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.904 108.0 53.8 -68.2 -37.8 78.4 20.5 3.3 106 139 A W H < S+ 0 0 41 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.913 110.5 46.0 -64.3 -40.5 78.9 17.1 1.6 107 140 A F H >< S+ 0 0 8 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.896 109.9 54.6 -68.8 -37.6 76.2 18.0 -1.1 108 141 A R H 3< S+ 0 0 170 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.721 101.8 61.9 -63.5 -20.5 77.8 21.4 -1.6 109 142 A Q T 3< S+ 0 0 132 -4,-1.0 2,-0.3 -3,-0.4 -1,-0.2 0.346 100.5 57.3 -92.4 5.1 81.1 19.7 -2.3 110 143 A Q < - 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