==== 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 16-JAN-03 1NP0 . 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) . 38589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 674 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 119 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 5.5 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 . 3 0.3 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 . 83 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 28.8 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 4 6 3 0 0 1 5 0 2 1 3 2 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 6 4 5 3 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 1 1 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 35 0, 0.0 2,-0.4 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 58.1 26.3 15.3 8.5 2 56 A L - 0 0 13 109,-0.1 3,-0.2 4,-0.0 460,-0.1 -0.782 360.0-151.0 -90.5 134.4 23.8 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 -0.889 86.9 26.7-152.5 117.9 21.6 19.0 11.5 4 58 A P S S- 0 0 0 0, 0.0 -1,-0.4 0, 0.0 437,-0.1 0.608 104.6-120.9 -64.4 155.8 19.0 20.3 11.1 5 59 A L - 0 0 42 -3,-0.2 441,-0.3 -2,-0.1 444,-0.1 -0.544 32.4-118.5 -66.4 122.1 18.7 18.9 7.5 6 60 A P - 0 0 5 0, 0.0 3,-0.2 0, 0.0 123,-0.2 -0.226 19.3-111.0 -61.0 155.9 18.3 21.9 5.2 7 61 A L S S+ 0 0 87 1,-0.2 2,-0.4 123,-0.1 122,-0.2 0.892 102.8 13.6 -51.8 -48.9 15.2 22.4 3.1 8 62 A S E +A 128 0A 29 120,-2.5 120,-2.0 2,-0.0 2,-0.4 -0.982 66.8 179.2-138.8 123.8 17.0 21.6 -0.2 9 63 A V E +A 127 0A 54 -2,-0.4 2,-0.4 118,-0.2 118,-0.2 -0.991 2.9 173.7-126.8 123.2 20.5 20.1 -0.6 10 64 A K E +A 126 0A 139 116,-2.4 116,-2.9 -2,-0.4 2,-0.3 -0.985 12.0 176.6-131.1 118.5 22.1 19.5 -4.0 11 65 A M E -A 125 0A 96 -2,-0.4 114,-0.2 114,-0.2 113,-0.0 -0.830 18.4-147.8-121.0 159.2 25.7 18.2 -4.1 12 66 A T E - 0 0 50 112,-2.9 112,-0.1 -2,-0.3 -2,-0.0 -0.727 29.6-116.0-114.1 166.6 28.2 17.1 -6.8 13 67 A P E S+ 0 0 121 0, 0.0 2,-0.5 0, 0.0 -1,-0.0 0.479 80.1 116.2 -77.2 -4.4 31.0 14.5 -6.4 14 68 A N E - 0 0 82 110,-0.1 110,-2.3 1,-0.0 2,-0.3 -0.566 55.8-152.4 -72.3 113.8 33.6 17.3 -7.0 15 69 A L E -A 123 0A 78 -2,-0.5 2,-0.3 108,-0.2 108,-0.2 -0.705 11.2-170.1 -88.6 140.4 35.8 17.8 -4.0 16 70 A L E -A 122 0A 0 106,-2.7 106,-1.9 -2,-0.3 2,-0.3 -0.921 11.6-137.6-126.2 152.9 37.4 21.1 -3.1 17 71 A H E -Ab 121 56A 64 38,-3.3 40,-2.7 -2,-0.3 2,-0.4 -0.729 6.4-151.0-114.1 157.9 40.0 21.8 -0.5 18 72 A L - 0 0 11 102,-1.4 102,-0.4 -2,-0.3 5,-0.1 -0.984 6.2-148.5-129.1 141.6 40.5 24.6 2.0 19 73 A A > - 0 0 32 38,-0.4 3,-2.1 -2,-0.4 100,-0.0 -0.952 12.3-146.2-110.6 112.1 43.7 26.0 3.5 20 74 A P G > S+ 0 0 50 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.850 99.2 40.3 -45.6 -49.0 43.3 27.3 7.1 21 75 A E G 3 S+ 0 0 149 1,-0.2 657,-0.1 656,-0.1 3,-0.0 0.278 122.0 44.6 -88.5 12.5 45.8 30.2 6.8 22 76 A N G < S+ 0 0 54 -3,-2.1 2,-0.4 1,-0.0 -3,-0.4 -0.219 92.6 91.5-144.2 42.5 44.6 31.0 3.3 23 77 A F < - 0 0 1 -3,-0.8 2,-0.3 -5,-0.1 36,-0.2 -0.952 51.3-178.9-139.5 120.8 40.8 30.9 3.7 24 78 A Y E -c 59 0A 93 34,-1.4 36,-2.0 -2,-0.4 2,-0.5 -0.897 23.4-147.0-122.2 149.5 38.9 34.0 4.6 25 79 A I E +c 60 0A 15 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.984 39.7 160.1-110.7 120.3 35.2 34.7 5.2 26 80 A S E -c 61 0A 33 34,-1.8 36,-2.4 -2,-0.5 2,-0.3 -0.849 43.4 -86.0-139.8 170.2 34.4 38.2 4.0 27 81 A H E -c 62 0A 33 -2,-0.3 36,-0.2 34,-0.2 34,-0.1 -0.617 41.8-122.5 -77.6 131.7 31.7 40.6 3.0 28 82 A S > - 0 0 9 34,-2.3 3,-2.1 -2,-0.3 36,-0.2 -0.562 26.2-118.7 -70.4 143.2 30.7 40.5 -0.7 29 83 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.782 113.1 53.6 -57.8 -29.3 31.2 44.0 -2.2 30 84 A N T 3 S+ 0 0 126 2,-0.0 33,-0.1 0, 0.0 -2,-0.0 0.491 87.1 117.1 -79.9 -6.5 27.5 44.3 -3.1 31 85 A S < - 0 0 19 -3,-2.1 34,-0.2 31,-0.2 32,-0.1 -0.205 67.0-137.8 -65.9 154.7 26.4 43.5 0.5 32 86 A T S S+ 0 0 68 32,-1.9 2,-0.3 34,-0.2 36,-0.2 0.556 88.9 69.8 -83.9 -11.8 24.5 45.8 2.8 33 87 A A + 0 0 12 31,-0.2 31,-0.2 -5,-0.1 -2,-0.1 -0.783 59.9 161.3-105.9 154.2 26.7 44.8 5.6 34 88 A G > - 0 0 21 -2,-0.3 3,-2.2 -7,-0.0 7,-0.2 -0.697 59.8 -51.9-147.1-164.7 30.4 45.6 6.0 35 89 A P T 3 S+ 0 0 38 0, 0.0 6,-0.1 0, 0.0 631,-0.1 0.744 124.4 68.6 -51.6 -30.1 33.2 45.7 8.7 36 90 A S T 3 S+ 0 0 80 629,-0.1 2,-1.4 1,-0.1 3,-0.1 0.709 76.3 95.6 -60.1 -24.9 30.9 47.9 10.9 37 91 A a <> - 0 0 6 -3,-2.2 4,-2.6 1,-0.2 5,-0.2 -0.576 52.7-178.9 -76.3 90.4 28.7 44.9 11.4 38 92 A T H > S+ 0 0 15 -2,-1.4 4,-2.9 1,-0.2 5,-0.3 0.878 79.8 58.1 -53.1 -43.1 30.0 43.5 14.7 39 93 A L H > S+ 0 0 0 31,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.927 111.9 38.3 -58.2 -50.4 27.5 40.6 14.5 40 94 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 115.5 53.9 -69.2 -38.5 28.8 39.4 11.1 41 95 A E H X S+ 0 0 28 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.897 110.4 45.7 -62.2 -43.7 32.5 40.1 12.0 42 96 A E H X S+ 0 0 21 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.888 113.2 50.7 -66.7 -39.2 32.3 38.0 15.2 43 97 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 5,-0.3 0.889 107.4 53.7 -64.5 -41.2 30.5 35.2 13.4 44 98 A F H X S+ 0 0 12 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.946 112.4 44.9 -56.9 -47.3 33.2 35.2 10.7 45 99 A R H X S+ 0 0 74 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.889 114.8 44.8 -69.6 -40.9 35.9 34.8 13.2 46 100 A R H X S+ 0 0 42 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.851 112.2 51.5 -75.3 -32.3 34.3 32.1 15.4 47 101 A Y H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.803 103.8 59.2 -72.0 -28.3 33.1 30.0 12.4 48 102 A H H X S+ 0 0 39 -4,-1.6 4,-1.6 -5,-0.3 5,-0.4 0.944 108.1 46.4 -59.5 -45.5 36.7 30.1 11.1 49 103 A G H X S+ 0 0 40 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.879 112.1 49.9 -62.7 -40.0 37.7 28.5 14.5 50 104 A Y H < S+ 0 0 63 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.898 110.1 49.9 -67.1 -41.8 34.9 25.9 14.2 51 105 A I H < S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.873 129.9 17.2 -62.8 -38.5 35.8 24.9 10.6 52 106 A F H < 0 0 24 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.827 360.0 360.0-107.9 -41.0 39.5 24.4 11.4 53 107 A G < 0 0 108 -4,-2.3 -3,-0.1 -5,-0.4 -2,-0.1 0.851 360.0 360.0 -32.7 360.0 40.1 24.1 15.2 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 97 0, 0.0 -38,-3.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -28.9 40.3 22.4 -6.4 56 123 A Q B -b 17 0A 78 -40,-0.2 2,-0.8 -38,-0.0 -38,-0.2 -0.758 360.0-159.7 -95.5 127.4 40.7 25.3 -3.9 57 124 A V + 0 0 0 -40,-2.7 -38,-0.4 -2,-0.5 33,-0.2 -0.902 20.9 171.8 -92.2 108.0 37.9 27.2 -2.1 58 125 A Q + 0 0 65 31,-2.6 -34,-1.4 -2,-0.8 2,-0.3 0.716 57.6 22.2 -88.0 -27.0 39.9 30.4 -1.2 59 126 A Q E -cd 24 90A 56 30,-1.4 32,-3.2 -36,-0.2 2,-0.5 -0.993 50.0-152.2-147.2 146.4 36.9 32.4 0.1 60 127 A L E -cd 25 91A 0 -36,-2.0 -34,-1.8 -2,-0.3 2,-0.4 -0.976 27.5-159.3-114.5 109.5 33.4 32.3 1.4 61 128 A L E -cd 26 92A 32 30,-3.3 32,-2.8 -2,-0.5 2,-0.5 -0.754 2.3-151.7 -90.2 139.2 31.8 35.6 0.4 62 129 A V E -cd 27 93A 0 -36,-2.4 -34,-2.3 -2,-0.4 2,-0.6 -0.953 10.9-170.3-117.1 117.0 28.7 36.7 2.5 63 130 A S E - d 0 94A 9 30,-3.2 32,-2.0 -2,-0.5 2,-0.6 -0.925 8.5-165.6-113.1 114.6 26.1 38.8 0.8 64 131 A I E - d 0 95A 1 -2,-0.6 -32,-1.9 -36,-0.2 -31,-0.2 -0.896 6.8-168.0 -95.7 125.7 23.2 40.4 2.7 65 132 A T + 0 0 62 30,-1.9 2,-0.2 -2,-0.6 31,-0.2 0.833 62.8 32.6 -83.8 -42.2 20.6 41.6 0.2 66 133 A L S S- 0 0 70 30,-1.9 -34,-0.2 29,-0.3 29,-0.1 -0.546 117.1 -44.7-109.1 175.6 18.3 43.9 2.2 67 134 A Q - 0 0 167 -2,-0.2 -1,-0.2 1,-0.1 31,-0.1 -0.205 63.9-133.1 -39.5 121.7 18.8 46.2 5.2 68 135 A S - 0 0 22 -36,-0.2 30,-2.4 29,-0.1 31,-0.3 0.792 6.8-144.9 -61.9 -34.7 21.0 44.0 7.3 69 136 A E > + 0 0 64 28,-0.2 3,-1.4 29,-0.1 -1,-0.1 0.670 47.6 149.4 67.5 26.6 19.4 44.4 10.7 70 137 A a T 3 S+ 0 0 7 1,-0.3 -31,-0.2 28,-0.0 -37,-0.0 0.828 70.1 36.7 -57.3 -41.4 22.9 44.1 12.0 71 138 A D T 3 S+ 0 0 133 -33,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.294 103.8 92.8 -95.5 6.1 22.3 46.3 15.1 72 139 A A S < S- 0 0 39 -3,-1.4 0, 0.0 140,-0.1 0, 0.0 -0.461 76.4-113.0 -98.5 167.7 18.8 45.1 15.8 73 140 A F - 0 0 84 -2,-0.1 144,-0.1 202,-0.1 -2,-0.1 -0.770 38.3-111.0 -93.0 144.2 17.4 42.4 18.0 74 141 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.378 38.1-173.0 -72.1 158.1 15.7 39.4 16.3 75 142 A N > - 0 0 47 201,-0.1 3,-1.9 142,-0.1 142,-0.0 -0.816 42.1 -78.8-142.2-179.3 12.0 39.0 16.6 76 143 A I T 3 S+ 0 0 34 1,-0.3 141,-0.0 -2,-0.2 -1,-0.0 0.864 127.3 43.7 -54.8 -40.1 9.3 36.4 15.6 77 144 A S T 3 S+ 0 0 97 2,-0.1 -1,-0.3 3,-0.0 3,-0.0 0.333 80.4 140.1 -90.3 8.0 9.1 37.5 12.0 78 145 A S < - 0 0 17 -3,-1.9 2,-0.7 1,-0.1 19,-0.0 -0.232 57.8-117.9 -53.7 139.7 12.9 37.7 11.4 79 146 A D + 0 0 50 1,-0.1 21,-0.9 51,-0.0 18,-0.3 -0.746 38.4 169.9 -87.4 113.0 14.0 36.4 8.1 80 147 A E + 0 0 6 -2,-0.7 -1,-0.1 19,-0.2 2,-0.1 0.161 34.2 123.9-106.2 12.7 16.3 33.4 8.6 81 148 A S + 0 0 32 49,-0.1 15,-0.5 22,-0.1 16,-0.4 -0.374 30.2 158.2 -73.4 153.7 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,-0.4 -0.974 31.1-140.2-162.4 163.0 19.6 31.8 3.0 83 150 A T E -EF 128 94A 50 11,-2.7 11,-2.8 -2,-0.3 2,-0.4 -0.970 13.9-158.1-126.3 148.5 21.2 30.1 0.1 84 151 A L E -EF 127 93A 0 43,-2.5 43,-2.4 -2,-0.4 2,-0.6 -0.986 4.7-170.2-129.7 117.9 24.7 28.7 0.1 85 152 A L E -EF 126 92A 70 7,-3.3 7,-2.7 -2,-0.4 2,-0.7 -0.937 6.3-165.1-110.0 108.8 26.7 28.1 -3.1 86 153 A V E +E 125 0A 4 39,-2.9 39,-1.5 -2,-0.6 2,-0.3 -0.850 34.2 127.4 -96.8 113.3 29.9 26.1 -2.5 87 154 A K - 0 0 84 -2,-0.7 -2,-0.1 37,-0.2 -71,-0.0 -0.941 50.8 -55.4-155.8 169.7 32.2 26.4 -5.6 88 155 A E S S- 0 0 91 -2,-0.3 -31,-0.2 1,-0.2 -2,-0.0 -0.775 105.1 -0.1-103.6 148.4 35.8 27.3 -6.5 89 156 A P S S+ 0 0 77 0, 0.0 -31,-2.6 0, 0.0 -30,-1.4 -0.989 134.7 24.0 -85.4 -7.5 37.5 29.6 -6.0 90 157 A V E -d 59 0A 32 -32,-0.2 -30,-0.2 -33,-0.2 2,-0.2 -0.968 63.2-157.5-123.6 118.3 34.8 31.7 -4.1 91 158 A A E -d 60 0A 0 -32,-3.2 -30,-3.3 -2,-0.5 2,-0.4 -0.564 16.7-145.5 -83.8 155.5 31.8 30.2 -2.3 92 159 A V E -dF 61 85A 38 -7,-2.7 -7,-3.3 -32,-0.2 2,-0.5 -0.992 15.9-169.3-132.2 128.9 28.8 32.5 -1.7 93 160 A L E -dF 62 84A 0 -32,-2.8 -30,-3.2 -2,-0.4 2,-0.4 -0.984 17.4-175.2-112.7 120.9 26.4 32.7 1.2 94 161 A K E +dF 63 83A 109 -11,-2.8 -11,-2.7 -2,-0.5 2,-0.3 -0.964 9.7 160.2-121.7 135.5 23.4 34.9 0.4 95 162 A A E -d 64 0A 2 -32,-2.0 -30,-1.9 -2,-0.4 -29,-0.3 -0.990 45.9-125.4-153.3 147.1 20.7 35.9 2.8 96 163 A N S S+ 0 0 54 -15,-0.5 -30,-1.9 -2,-0.3 2,-0.2 0.910 94.8 5.5 -56.9 -41.9 18.0 38.6 3.1 97 164 A R S > S- 0 0 59 -16,-0.4 4,-1.4 -18,-0.3 3,-0.4 -0.796 84.4 -92.1-135.6 173.2 19.3 39.5 6.5 98 165 A V H > S+ 0 0 0 -30,-2.4 4,-2.2 -2,-0.2 5,-0.2 0.846 117.8 63.7 -49.0 -41.6 22.0 38.9 9.1 99 166 A W H > S+ 0 0 2 -31,-0.3 4,-1.6 1,-0.2 -19,-0.2 0.895 104.3 45.4 -58.9 -44.1 19.8 36.2 10.7 100 167 A G H > S+ 0 0 0 -21,-0.9 4,-2.4 -3,-0.4 -1,-0.2 0.834 109.3 55.4 -69.6 -34.2 19.9 34.0 7.6 101 168 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.901 105.0 53.6 -66.1 -37.1 23.6 34.5 7.2 102 169 A L H X S+ 0 0 6 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.930 110.3 46.2 -62.9 -43.8 24.2 33.2 10.7 103 170 A R H X S+ 0 0 6 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.918 112.0 52.2 -63.1 -43.6 22.2 30.1 10.0 104 171 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.780 104.0 55.9 -63.0 -33.8 24.1 29.6 6.7 105 172 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.902 106.6 51.5 -64.0 -41.9 27.5 30.0 8.5 106 173 A E H X S+ 0 0 1 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.948 111.5 46.7 -58.2 -48.3 26.5 27.1 10.7 107 174 A T H X S+ 0 0 0 -4,-1.9 4,-0.8 1,-0.2 3,-0.3 0.885 108.5 54.7 -62.0 -44.3 25.5 24.9 7.7 108 175 A F H >X S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 4,-1.0 0.932 107.0 51.5 -53.8 -47.1 28.8 25.8 5.8 109 176 A S H 3< S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.796 105.8 55.5 -62.4 -28.7 30.8 24.6 8.9 110 177 A Q H 3< S+ 0 0 9 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.641 104.4 54.8 -78.7 -15.1 28.9 21.3 8.9 111 178 A L H << S+ 0 0 17 -3,-1.3 2,-0.4 -4,-0.8 12,-0.4 0.701 90.5 84.8 -87.1 -25.4 29.8 20.7 5.2 112 179 A V < + 0 0 17 -4,-1.0 2,-0.3 -3,-0.2 10,-0.2 -0.675 57.6 162.4 -81.0 133.6 33.6 21.0 5.8 113 180 A Y E -G 121 0A 98 8,-2.4 8,-3.5 -2,-0.4 2,-0.5 -0.931 37.3-115.8-142.5 164.8 35.3 17.8 6.9 114 181 A Q E -G 120 0A 110 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.913 29.2-139.7-104.9 132.4 38.8 16.3 7.1 115 182 A D > - 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