==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JAN-03 1NOW . COMPND 2 MOLECULE: BETA-HEXOSAMINIDASE BETA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.L.MARK,D.J.MAHURAN,M.M.CHERNEY,D.ZHAO,S.KNAPP,M.N.G.JAMES . 960 6 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 679 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 118 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 5.4 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 82 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 278 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 3 6 3 1 0 1 5 0 1 3 3 1 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 7 3 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 . 0 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 55 A A 0 0 40 0, 0.0 2,-0.4 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 49.0 26.4 15.3 8.4 2 56 A L - 0 0 12 109,-0.1 3,-0.2 4,-0.0 460,-0.1 -0.718 360.0-151.7 -91.7 134.2 23.9 18.2 8.4 3 57 A W S S+ 0 0 0 1,-0.4 2,-0.1 -2,-0.4 160,-0.1 -0.890 86.6 25.9-154.0 119.5 21.7 19.0 11.4 4 58 A P S S- 0 0 0 0, 0.0 -1,-0.4 0, 0.0 437,-0.1 0.616 105.0-120.1 -63.0 155.5 19.1 20.2 11.1 5 59 A L - 0 0 44 -3,-0.2 441,-0.3 -2,-0.1 -2,-0.1 -0.535 32.2-118.1 -67.7 123.2 18.8 18.9 7.5 6 60 A P - 0 0 4 0, 0.0 3,-0.2 0, 0.0 123,-0.2 -0.241 19.7-111.5 -60.6 154.0 18.4 21.9 5.2 7 61 A L S S+ 0 0 86 1,-0.2 2,-0.4 123,-0.1 122,-0.2 0.922 103.0 13.6 -49.2 -52.9 15.3 22.3 3.1 8 62 A S E +A 128 0A 30 120,-2.5 120,-2.3 2,-0.0 2,-0.4 -0.982 67.2 176.3-136.4 123.0 17.1 21.6 -0.2 9 63 A V E +A 127 0A 52 -2,-0.4 2,-0.4 118,-0.2 118,-0.2 -0.994 1.2 175.1-126.7 125.3 20.6 20.1 -0.5 10 64 A K E +A 126 0A 136 116,-2.3 116,-2.8 -2,-0.4 2,-0.3 -0.993 10.6 178.6-133.0 122.9 22.2 19.4 -3.9 11 65 A M E -A 125 0A 96 -2,-0.4 114,-0.2 114,-0.2 -2,-0.0 -0.841 17.3-149.6-122.9 158.1 25.8 18.1 -4.1 12 66 A T E - 0 0 52 112,-2.4 112,-0.2 -2,-0.3 -2,-0.0 -0.786 31.1-114.4-114.5 166.0 28.2 17.1 -6.8 13 67 A P E S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -2,-0.0 0.477 80.5 115.9 -76.2 -3.0 31.1 14.5 -6.5 14 68 A N E - 0 0 80 110,-0.1 110,-2.3 1,-0.0 2,-0.4 -0.586 56.0-152.8 -72.6 116.6 33.7 17.3 -7.1 15 69 A L E -A 123 0A 78 -2,-0.5 2,-0.3 108,-0.2 108,-0.2 -0.756 9.5-166.4 -92.0 138.5 35.8 17.7 -4.0 16 70 A L E -A 122 0A 0 106,-2.8 106,-2.4 -2,-0.4 40,-0.2 -0.941 10.8-136.4-123.1 146.8 37.4 21.0 -3.2 17 71 A H E -Ab 121 56A 67 38,-3.0 40,-2.9 -2,-0.3 2,-0.4 -0.610 7.6-152.6-102.4 159.5 40.1 21.8 -0.6 18 72 A L - 0 0 10 102,-1.3 102,-0.4 -2,-0.2 5,-0.1 -0.983 5.6-150.1-129.9 142.7 40.5 24.5 2.0 19 73 A A > - 0 0 34 38,-0.4 3,-2.1 -2,-0.4 100,-0.0 -0.965 14.2-143.6-113.1 111.1 43.8 25.9 3.4 20 74 A P G > S+ 0 0 48 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.824 99.4 39.3 -44.6 -48.0 43.3 27.2 7.0 21 75 A E G 3 S+ 0 0 156 1,-0.2 657,-0.1 656,-0.0 3,-0.0 0.329 121.1 46.4 -89.2 8.4 45.7 30.2 6.8 22 76 A N G < S+ 0 0 54 -3,-2.1 2,-0.4 2,-0.0 -3,-0.2 -0.162 91.6 92.0-134.9 35.8 44.6 31.0 3.2 23 77 A F < + 0 0 1 -3,-0.8 2,-0.3 -5,-0.1 36,-0.2 -0.984 52.4 179.0-130.3 120.8 40.8 30.8 3.7 24 78 A Y E -c 59 0A 90 34,-1.1 36,-2.1 -2,-0.4 2,-0.5 -0.940 23.1-147.3-123.3 144.8 38.9 34.0 4.6 25 79 A I E +c 60 0A 17 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.963 38.6 158.4-107.2 125.1 35.3 34.7 5.2 26 80 A S E -c 61 0A 33 34,-2.1 36,-2.5 -2,-0.5 2,-0.3 -0.910 43.6 -84.6-146.0 169.6 34.4 38.2 4.0 27 81 A H E -c 62 0A 30 -2,-0.3 36,-0.2 34,-0.2 34,-0.1 -0.591 42.9-121.2 -78.2 134.1 31.7 40.6 2.9 28 82 A S > - 0 0 11 34,-2.2 3,-1.9 -2,-0.3 36,-0.2 -0.457 26.6-115.4 -69.6 146.1 30.7 40.5 -0.8 29 83 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.804 115.8 48.3 -55.3 -31.3 31.2 44.0 -2.5 30 84 A N T 3 S+ 0 0 126 2,-0.0 33,-0.1 0, 0.0 -2,-0.0 0.416 86.7 119.8 -86.8 -2.2 27.5 44.3 -3.1 31 85 A S < - 0 0 18 -3,-1.9 34,-0.2 31,-0.2 32,-0.1 -0.276 65.2-137.7 -64.6 149.9 26.5 43.4 0.5 32 86 A T S S+ 0 0 70 32,-2.2 2,-0.3 34,-0.3 36,-0.2 0.583 88.5 71.3 -77.8 -12.9 24.5 45.8 2.7 33 87 A A + 0 0 11 31,-0.2 31,-0.2 29,-0.1 -2,-0.1 -0.767 59.7 162.7-103.7 154.3 26.8 44.8 5.6 34 88 A G > - 0 0 23 -2,-0.3 3,-2.5 -7,-0.0 7,-0.2 -0.726 58.8 -54.1-146.7-166.6 30.5 45.6 6.0 35 89 A P T 3 S+ 0 0 35 0, 0.0 6,-0.1 0, 0.0 631,-0.1 0.732 125.0 67.1 -51.2 -29.3 33.3 45.7 8.6 36 90 A S T 3 S+ 0 0 77 629,-0.1 2,-1.4 1,-0.1 3,-0.1 0.669 77.1 96.1 -62.8 -21.8 31.1 47.9 10.9 37 91 A a <> - 0 0 6 -3,-2.5 4,-2.4 1,-0.2 5,-0.2 -0.601 53.9-177.7 -77.5 92.4 28.8 44.9 11.3 38 92 A T H > S+ 0 0 15 -2,-1.4 4,-2.8 1,-0.2 5,-0.3 0.888 77.7 58.5 -54.9 -45.5 30.0 43.5 14.6 39 93 A L H > S+ 0 0 0 31,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.917 112.1 38.9 -55.5 -48.8 27.6 40.6 14.5 40 94 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 114.4 53.8 -70.5 -37.9 28.9 39.3 11.1 41 95 A E H X S+ 0 0 29 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.908 111.2 45.5 -63.0 -43.4 32.6 40.1 11.9 42 96 A E H X S+ 0 0 18 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.893 113.1 51.0 -66.4 -40.2 32.4 38.1 15.2 43 97 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 5,-0.3 0.877 106.9 54.0 -63.0 -40.5 30.6 35.2 13.4 44 98 A F H X S+ 0 0 13 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.943 111.7 45.9 -59.2 -46.7 33.3 35.1 10.7 45 99 A R H X S+ 0 0 76 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.930 114.2 44.7 -65.7 -45.8 36.0 34.8 13.3 46 100 A R H X S+ 0 0 41 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.843 113.8 50.4 -71.3 -29.9 34.3 32.1 15.4 47 101 A Y H X S+ 0 0 5 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.847 104.5 57.7 -75.0 -32.3 33.3 30.0 12.4 48 102 A H H X S+ 0 0 37 -4,-2.0 4,-1.7 -5,-0.3 5,-0.4 0.944 109.9 45.9 -57.5 -44.1 36.8 30.2 11.1 49 103 A G H < S+ 0 0 40 -4,-1.7 -2,-0.2 1,-0.2 4,-0.2 0.881 113.6 47.9 -64.8 -41.1 37.8 28.6 14.4 50 104 A Y H < S+ 0 0 61 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.899 109.6 53.3 -65.9 -42.8 35.0 25.9 14.2 51 105 A I H < S+ 0 0 12 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.914 130.4 11.3 -57.8 -47.3 35.8 25.0 10.5 52 106 A F < 0 0 20 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.904 360.0 360.0 -99.7 -70.5 39.4 24.3 11.2 53 107 A G 0 0 106 -5,-0.4 -3,-0.1 -4,-0.2 416,-0.0 -0.027 360.0 360.0 55.9 360.0 40.3 24.2 14.9 54 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 122 A T 0 0 99 0, 0.0 -38,-3.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -21.8 40.2 22.6 -6.6 56 123 A Q B -b 17 0A 71 -40,-0.2 2,-0.9 -38,-0.0 -38,-0.2 -0.829 360.0-150.9 -98.5 127.5 40.7 25.3 -3.8 57 124 A V + 0 0 0 -40,-2.9 -38,-0.4 -2,-0.5 33,-0.2 -0.856 23.4 176.6 -85.6 108.3 37.9 27.2 -2.1 58 125 A Q + 0 0 75 31,-2.7 -34,-1.1 -2,-0.9 2,-0.3 0.722 56.3 9.8 -84.6 -25.5 39.9 30.3 -1.3 59 126 A Q E -cd 24 90A 54 30,-1.1 32,-2.7 -36,-0.2 2,-0.5 -0.996 53.0-140.5-157.6 147.6 37.1 32.4 0.2 60 127 A L E -cd 25 91A 0 -36,-2.1 -34,-2.1 -2,-0.3 2,-0.4 -0.972 26.3-157.6-113.9 111.4 33.5 32.4 1.5 61 128 A L E -cd 26 92A 32 30,-3.0 32,-3.2 -2,-0.5 2,-0.6 -0.764 1.9-153.9 -90.6 134.8 31.8 35.7 0.4 62 129 A V E -cd 27 93A 0 -36,-2.5 -34,-2.2 -2,-0.4 2,-0.6 -0.947 10.1-169.6-114.4 116.3 28.7 36.7 2.5 63 130 A S E - d 0 94A 9 30,-3.1 32,-2.3 -2,-0.6 2,-0.6 -0.931 8.8-163.6-112.3 116.0 26.1 38.8 0.7 64 131 A I E - d 0 95A 1 -2,-0.6 -32,-2.2 30,-0.2 32,-0.2 -0.896 6.7-169.2 -96.8 124.2 23.3 40.5 2.7 65 132 A T + 0 0 63 30,-2.2 31,-0.2 -2,-0.6 2,-0.2 0.857 63.0 32.6 -84.5 -43.2 20.6 41.6 0.1 66 133 A L S S- 0 0 70 30,-2.0 -34,-0.3 29,-0.3 29,-0.1 -0.484 117.9 -47.0-104.9 178.1 18.3 43.8 2.2 67 134 A Q - 0 0 164 -2,-0.2 -1,-0.2 1,-0.1 31,-0.1 -0.276 64.1-134.6 -42.4 124.5 18.9 46.2 5.1 68 135 A S - 0 0 20 -36,-0.2 30,-2.3 29,-0.1 31,-0.3 0.765 6.0-145.0 -68.2 -30.6 21.0 43.9 7.2 69 136 A E > + 0 0 66 28,-0.2 3,-1.4 29,-0.1 -1,-0.1 0.713 46.9 149.4 65.5 27.2 19.4 44.4 10.6 70 137 A a T 3 S+ 0 0 6 1,-0.3 -31,-0.3 28,-0.0 -37,-0.0 0.808 70.1 39.9 -59.6 -36.5 23.0 44.0 12.0 71 138 A D T 3 S+ 0 0 131 -33,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.275 103.5 90.2 -99.6 13.6 22.4 46.3 15.0 72 139 A A S < S- 0 0 39 -3,-1.4 0, 0.0 140,-0.1 0, 0.0 -0.491 77.1-111.0-105.2 170.0 18.9 45.1 15.8 73 140 A F - 0 0 85 -2,-0.2 144,-0.1 202,-0.1 -2,-0.1 -0.803 38.8-110.2 -95.4 141.7 17.5 42.4 18.0 74 141 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.302 37.9-173.0 -68.7 157.0 15.8 39.4 16.3 75 142 A N > - 0 0 43 201,-0.1 3,-1.7 142,-0.1 142,-0.0 -0.833 43.2 -83.0-139.8 178.5 12.0 39.0 16.5 76 143 A I T 3 S+ 0 0 38 1,-0.3 141,-0.0 -2,-0.3 -1,-0.0 0.812 127.1 48.0 -58.0 -32.2 9.4 36.4 15.6 77 144 A S T 3 S+ 0 0 98 2,-0.1 -1,-0.3 0, 0.0 57,-0.0 0.448 79.5 135.4 -90.1 2.6 9.2 37.7 12.0 78 145 A S < - 0 0 16 -3,-1.7 2,-0.7 1,-0.1 19,-0.0 -0.242 59.5-120.8 -56.6 136.2 13.0 37.8 11.4 79 146 A D + 0 0 51 1,-0.1 21,-0.8 51,-0.0 18,-0.3 -0.725 34.8 173.0 -85.4 111.1 14.0 36.3 8.0 80 147 A E + 0 0 5 -2,-0.7 -1,-0.1 19,-0.2 2,-0.1 0.170 36.0 125.1-101.6 12.3 16.4 33.4 8.6 81 148 A S + 0 0 32 49,-0.1 15,-0.5 22,-0.1 16,-0.4 -0.394 29.2 156.1 -73.5 151.5 16.4 32.2 4.9 82 149 A Y E -E 129 0A 6 47,-2.1 47,-2.1 13,-0.2 2,-0.3 -0.975 31.2-140.1-160.4 165.1 19.7 31.8 3.0 83 150 A T E -EF 128 94A 48 11,-2.7 11,-2.6 -2,-0.3 2,-0.4 -0.968 13.6-158.3-127.8 150.7 21.3 30.1 0.1 84 151 A L E -EF 127 93A 0 43,-2.4 43,-2.6 -2,-0.3 2,-0.6 -0.993 4.5-169.8-132.0 122.4 24.8 28.7 0.0 85 152 A L E -EF 126 92A 69 7,-3.1 7,-2.6 -2,-0.4 2,-0.7 -0.948 6.9-164.8-113.8 107.1 26.8 28.1 -3.2 86 153 A V E +E 125 0A 4 39,-3.1 39,-1.6 -2,-0.6 2,-0.3 -0.863 34.8 125.4 -96.7 115.3 30.0 26.1 -2.5 87 154 A K - 0 0 87 -2,-0.7 -2,-0.1 37,-0.2 -71,-0.0 -0.939 51.5 -54.0-157.9 170.7 32.3 26.3 -5.6 88 155 A E S S+ 0 0 90 -2,-0.3 -31,-0.2 1,-0.2 -2,-0.0 -0.766 105.7 0.9-103.1 147.8 35.8 27.3 -6.5 89 156 A P S S+ 0 0 75 0, 0.0 -31,-2.7 0, 0.0 -30,-1.1 -0.987 134.8 21.0 -83.7 -7.8 37.5 29.6 -6.1 90 157 A V E -d 59 0A 31 -33,-0.2 -30,-0.2 -32,-0.2 2,-0.2 -0.973 62.3-156.9-128.4 118.0 34.9 31.6 -4.1 91 158 A A E -d 60 0A 0 -32,-2.7 -30,-3.0 -2,-0.5 2,-0.4 -0.551 17.4-145.0 -84.5 157.1 31.9 30.2 -2.3 92 159 A V E -dF 61 85A 36 -7,-2.6 -7,-3.1 -32,-0.2 2,-0.5 -0.990 15.9-168.2-133.6 129.4 28.9 32.5 -1.7 93 160 A L E -dF 62 84A 0 -32,-3.2 -30,-3.1 -2,-0.4 2,-0.4 -0.975 17.5-173.7-112.2 121.5 26.5 32.7 1.2 94 161 A K E +dF 63 83A 110 -11,-2.6 -11,-2.7 -2,-0.5 2,-0.3 -0.952 10.0 161.9-121.6 134.4 23.5 35.0 0.3 95 162 A A E -d 64 0A 2 -32,-2.3 -30,-2.2 -2,-0.4 -29,-0.3 -0.990 44.1-129.9-150.6 144.7 20.8 36.0 2.7 96 163 A N S S+ 0 0 53 -15,-0.5 -30,-2.0 -2,-0.3 2,-0.3 0.919 95.2 9.6 -55.3 -43.2 18.1 38.7 3.0 97 164 A R S >> S- 0 0 55 -16,-0.4 4,-1.4 -18,-0.3 3,-0.5 -0.811 84.2 -97.1-134.4 169.6 19.3 39.6 6.5 98 165 A V H 3> S+ 0 0 0 -30,-2.3 4,-2.3 -2,-0.3 5,-0.2 0.836 115.9 66.4 -52.7 -36.9 22.1 38.9 8.9 99 166 A W H 3> S+ 0 0 2 -31,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.904 102.8 45.5 -59.3 -42.7 19.9 36.2 10.6 100 167 A G H <> S+ 0 0 0 -21,-0.8 4,-2.9 -3,-0.5 -1,-0.2 0.861 108.5 55.8 -69.3 -36.9 20.0 34.0 7.6 101 168 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.902 105.3 53.3 -63.9 -38.4 23.8 34.5 7.1 102 169 A L H X S+ 0 0 7 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.943 110.7 46.3 -60.0 -47.3 24.3 33.3 10.7 103 170 A R H X S+ 0 0 6 -4,-1.7 4,-2.0 1,-0.2 3,-0.2 0.935 112.5 51.2 -59.0 -46.4 22.3 30.1 9.9 104 171 A G H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.787 103.7 56.8 -63.2 -32.8 24.2 29.7 6.7 105 172 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.906 107.2 50.3 -64.5 -39.4 27.6 30.0 8.4 106 173 A E H X S+ 0 0 1 -4,-1.6 4,-1.5 -3,-0.2 -2,-0.2 0.949 111.9 47.1 -61.1 -49.0 26.6 27.1 10.7 107 174 A T H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 3,-0.4 0.914 109.9 53.0 -59.3 -46.5 25.6 25.0 7.7 108 175 A F H >X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 3,-0.9 0.907 107.2 52.2 -55.1 -43.8 28.8 25.8 5.9 109 176 A S H 3< S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.809 106.1 54.8 -63.8 -29.7 30.8 24.6 8.9 110 177 A Q H 3< S+ 0 0 8 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.675 104.5 55.2 -77.9 -16.7 28.9 21.3 8.9 111 178 A L H << S+ 0 0 17 -4,-1.0 12,-0.4 -3,-0.9 2,-0.3 0.743 89.8 85.1 -84.9 -27.9 29.9 20.7 5.2 112 179 A V < + 0 0 15 -4,-1.1 2,-0.3 -3,-0.1 10,-0.2 -0.630 57.2 161.9 -78.2 134.6 33.7 21.1 5.7 113 180 A Y E -G 121 0A 96 8,-2.7 8,-3.5 -2,-0.3 2,-0.5 -0.929 37.9-114.4-144.3 166.3 35.4 17.8 6.9 114 181 A Q E -G 120 0A 107 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.906 29.5-139.4-103.3 130.9 38.9 16.3 7.0 115 182 A D > - 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0 0 29 -39,-2.3 -277,-2.4 -2,-0.9 -278,-0.5 0.524 46.9 -79.0-101.9 -8.1 52.0 63.9 36.2 896 483 B G E -zg 618 857F 0 -40,-0.7 -38,-2.3 -279,-0.2 2,-0.3 -0.997 43.7 -99.3 151.2-152.8 53.2 60.4 36.7 897 484 B G E -zg 619 858F 0 -279,-2.4 -277,-2.6 -2,-0.3 2,-0.3 -0.948 12.2-129.0-160.1 177.6 54.9 57.4 35.1 898 485 B E E -z 620 0F 0 -40,-2.0 2,-0.6 -2,-0.3 -277,-0.2 -0.992 13.0-138.1-140.3 144.6 54.7 54.0 33.4 899 486 B A E -z 621 0F 1 -279,-2.5 -277,-2.3 -2,-0.3 2,-0.5 -0.924 33.6-149.2 -96.0 124.2 56.3 50.6 33.8 900 487 B C E -zh 622 863F 0 -38,-2.8 -36,-1.5 -2,-0.6 -35,-0.9 -0.869 21.1-175.1-107.9 126.6 57.0 49.4 30.2 901 488 B L E -z 623 0F 3 -279,-2.1 -277,-0.5 -2,-0.5 -38,-0.1 -0.729 17.0-161.5-116.6 82.6 57.0 45.8 29.1 902 489 B W - 0 0 17 -2,-0.5 3,-0.4 -279,-0.1 -278,-0.0 -0.255 15.3-131.9 -63.3 152.5 58.1 45.8 25.5 903 490 B G S > S+ 0 0 1 1,-0.2 3,-1.0 2,-0.1 -1,-0.1 0.337 73.2 104.8 -98.2 2.7 57.2 42.7 23.6 904 491 B E T 3 S+ 0 0 72 1,-0.3 -1,-0.2 -276,-0.0 -2,-0.0 0.864 105.5 18.6 -51.4 -41.3 60.3 41.5 21.7 905 492 B Y T 3 S+ 0 0 179 -3,-0.4 2,-0.4 -277,-0.0 -1,-0.3 0.216 114.2 88.7-115.0 17.3 60.8 38.7 24.2 906 493 B V < + 0 0 4 -3,-1.0 2,-0.2 -282,-0.1 -282,-0.1 -0.955 37.8 138.3-128.1 127.2 57.3 38.6 25.8 907 494 B D S >> S- 0 0 52 -2,-0.4 4,-1.9 -280,-0.0 3,-1.6 -0.738 70.3 -64.2-142.0-166.2 54.1 36.7 24.9 908 495 B A T 34 S+ 0 0 47 -279,-0.4 4,-0.3 1,-0.3 -278,-0.1 0.740 125.1 64.4 -60.1 -23.6 51.3 34.9 26.8 909 496 B T T 34 S+ 0 0 121 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.739 124.0 9.3 -70.8 -24.2 53.8 32.2 28.0 910 497 B N T <> S+ 0 0 37 -3,-1.6 4,-1.6 2,-0.1 -2,-0.2 0.405 96.1 100.3-138.6 5.3 55.8 34.7 30.1 911 498 B L H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.950 83.7 47.5 -61.4 -55.0 54.1 38.0 30.3 912 499 B T H > S+ 0 0 14 -4,-0.3 4,-2.5 1,-0.2 45,-0.2 0.911 113.1 43.4 -61.1 -52.9 52.5 37.7 33.7 913 500 B P H 4 S+ 0 0 42 0, 0.0 44,-0.6 0, 0.0 5,-0.3 0.887 115.8 51.0 -60.7 -36.5 55.5 36.4 35.8 914 501 B R H < S+ 0 0 50 -4,-1.6 4,-0.2 1,-0.2 -2,-0.2 0.911 115.9 41.6 -64.7 -39.4 57.8 38.9 34.1 915 502 B L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.873 101.2 86.8 -77.2 -43.2 55.4 41.9 34.8 916 503 B W T < S+ 0 0 0 -4,-2.5 41,-1.9 1,-0.3 -1,-0.1 -0.922 96.0 4.2-117.0 138.6 54.3 41.1 38.4 917 504 B P T >> S+ 0 0 3 0, 0.0 4,-0.9 0, 0.0 3,-0.7 -0.959 121.4 67.4 -91.3 12.7 55.5 41.8 41.1 918 505 B R H >> S+ 0 0 8 -5,-0.3 3,-0.8 1,-0.3 4,-0.7 0.899 103.6 49.7 -57.0 -39.6 58.3 43.9 39.5 919 506 B A H 3X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.3 0.770 96.8 70.2 -70.4 -23.7 55.6 46.4 38.3 920 507 B S H <> S+ 0 0 0 -3,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.854 92.9 58.4 -59.3 -34.6 54.2 46.5 41.9 921 508 B A H - 0 0 29 -441,-0.3 3,-1.8 1,-0.1 -1,-0.1 -0.219 39.8-112.2 -60.9 153.5 54.1 59.1 49.6 930 517 B K T 3 S+ 0 0 116 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.1 0.793 116.2 55.6 -53.3 -37.8 57.6 60.2 48.7 931 518 B D T 3 S+ 0 0 131 2,-0.0 2,-1.3 1,-0.0 -1,-0.3 0.467 76.8 104.2 -81.5 -4.4 58.8 59.1 52.2 932 519 B V < + 0 0 19 -3,-1.8 -4,-0.1 1,-0.2 -444,-0.0 -0.686 45.3 114.9 -77.5 97.3 57.5 55.5 51.9 933 520 B R + 0 0 92 -2,-1.3 2,-0.3 -55,-0.0 -1,-0.2 0.448 18.1 136.6-149.2 7.3 60.9 53.8 51.2 934 521 B D > - 0 0 102 -3,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.423 40.7-153.1 -63.5 121.0 62.0 51.4 53.9 935 522 B M H > S+ 0 0 34 -2,-0.3 4,-2.6 2,-0.2 -1,-0.1 0.853 89.3 51.1 -66.7 -42.2 63.3 48.3 52.0 936 523 B D H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 113.7 45.5 -63.2 -46.3 62.7 45.7 54.7 937 524 B D H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.882 112.3 51.8 -63.8 -39.4 59.1 46.8 55.1 938 525 B A H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.941 110.7 48.5 -62.0 -44.6 58.6 47.0 51.4 939 526 B Y H X S+ 0 0 55 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.923 112.1 49.1 -60.3 -46.1 60.0 43.4 51.1 940 527 B D H X S+ 0 0 87 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.908 117.3 39.8 -62.5 -43.8 57.6 42.2 53.9 941 528 B R H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.883 115.9 51.2 -73.1 -38.5 54.5 43.8 52.4 942 529 B L H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.845 104.8 54.8 -71.0 -35.5 55.4 42.9 48.8 943 530 B T H X S+ 0 0 33 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.887 114.3 42.7 -62.1 -39.3 56.1 39.2 49.4 944 531 B R H X S+ 0 0 146 -4,-1.0 4,-2.4 -5,-0.2 -2,-0.2 0.893 112.4 52.3 -73.3 -41.7 52.6 39.0 51.0 945 532 B H H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.876 108.9 52.0 -61.1 -38.5 51.0 41.1 48.2 946 533 B R H X S+ 0 0 47 -4,-2.5 4,-2.2 2,-0.2 10,-0.3 0.912 107.9 49.9 -63.3 -43.7 52.6 38.7 45.7 947 534 B f H X S+ 0 0 21 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.904 109.5 53.2 -61.2 -39.9 51.1 35.7 47.4 948 535 B R H X S+ 0 0 30 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.903 107.0 51.4 -60.0 -43.6 47.7 37.5 47.3 949 536 B M H <>S+ 0 0 1 -4,-2.2 5,-2.9 2,-0.2 -2,-0.2 0.917 110.1 49.0 -58.7 -44.0 48.2 38.0 43.5 950 537 B V H ><5S+ 0 0 59 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.936 108.7 53.6 -60.5 -46.9 48.8 34.2 43.1 951 538 B E H 3<5S+ 0 0 131 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.857 107.1 52.6 -55.7 -37.4 45.7 33.5 45.2 952 539 B R T 3<5S- 0 0 37 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.283 128.9 -94.9 -84.0 12.5 43.7 35.7 42.9 953 540 B G T < 5S+ 0 0 42 -3,-2.1 2,-0.7 1,-0.2 -3,-0.2 0.604 85.7 127.9 87.9 10.1 44.9 33.8 39.7 954 541 B I < - 0 0 3 -5,-2.9 2,-2.7 -6,-0.2 -1,-0.2 -0.900 55.6-142.9-101.8 114.3 47.8 36.1 38.8 955 542 B A + 0 0 61 -2,-0.7 2,-0.2 -3,-0.1 -39,-0.1 -0.331 31.8 173.9 -76.2 63.5 51.0 34.1 38.4 956 543 B A - 0 0 2 -2,-2.7 -42,-0.1 -10,-0.3 -6,-0.1 -0.526 29.1-121.9 -72.1 133.7 53.3 36.7 39.9 957 544 B Q - 0 0 73 -41,-1.9 -1,-0.1 -44,-0.6 -7,-0.1 -0.274 33.1 -86.9 -75.0 161.8 56.9 35.4 40.3 958 545 B P - 0 0 77 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.223 15.6-147.7 -67.3 159.1 58.8 35.2 43.6 959 546 B L S S- 0 0 20 1,-0.4 2,-0.2 -20,-0.1 -86,-0.1 0.780 78.4 -38.8 -87.7 -36.9 60.9 37.9 45.2 960 547 B Y S S- 0 0 161 -17,-0.0 -1,-0.4 -89,-0.0 0, 0.0 -0.855 96.3 -31.5-167.7-174.5 63.3 35.4 46.7 961 548 B A S S+ 0 0 79 -2,-0.2 2,-0.3 -3,-0.1 -2,-0.1 -0.279 88.3 79.1 -53.5 145.6 63.2 32.0 48.4 962 549 B G - 0 0 71 -3,-0.0 2,-0.3 2,-0.0 -1,-0.0 -0.987 62.9-103.6 150.9-156.7 60.1 31.1 50.4 963 550 B Y - 0 0 203 -2,-0.3 2,-0.3 2,-0.1 -16,-0.1 -0.968 19.6-117.0-159.4 166.6 56.5 29.9 50.0 964 551 B f 0 0 25 -2,-0.3 -20,-0.1 -17,-0.1 -2,-0.0 -0.828 360.0 360.0-112.0 154.8 52.9 31.1 50.1 965 552 B N 0 0 168 -2,-0.3 -2,-0.1 0, 0.0 -18,-0.0 -0.749 360.0 360.0 83.9 360.0 50.0 30.1 52.4