==== 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 21-JAN-03 1NQ6 . COMPND 2 MOLECULE: XYS1; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES HALSTEDII; . AUTHOR A.CANALS,M.C.VEGA,F.X.GOMIS-RUTH,R.I.SANTAMARIA,M.COLL . 302 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 14 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 1 1 0 2 1 0 1 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 5 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 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 A 0 0 43 0, 0.0 4,-0.2 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 146.5 -0.5 -15.3 1.1 2 2 A G > - 0 0 15 3,-0.2 4,-2.6 32,-0.2 34,-0.3 0.210 360.0 -79.5 81.1 161.8 2.4 -17.5 2.3 3 3 A A H > S+ 0 0 43 32,-2.4 4,-1.8 2,-0.2 33,-0.2 0.952 131.0 33.8 -64.2 -52.5 2.7 -20.2 5.0 4 4 A L H > S+ 0 0 0 32,-1.1 4,-2.4 2,-0.2 33,-0.2 0.905 119.6 53.5 -68.7 -39.7 3.0 -17.8 8.0 5 5 A G H > S+ 0 0 3 31,-1.9 4,-2.2 1,-0.2 -3,-0.2 0.891 111.6 43.6 -63.9 -42.0 0.6 -15.3 6.3 6 6 A D H X S+ 0 0 93 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.850 111.1 54.4 -72.3 -36.9 -2.1 -17.8 5.7 7 7 A A H < S+ 0 0 27 -4,-1.8 4,-0.4 -5,-0.2 -2,-0.2 0.927 113.8 42.7 -61.8 -43.1 -1.7 -19.3 9.2 8 8 A A H ><>S+ 0 0 3 -4,-2.4 5,-2.1 1,-0.2 3,-1.5 0.889 109.7 57.6 -66.2 -41.1 -2.2 -15.8 10.7 9 9 A A H ><5S+ 0 0 54 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.776 92.4 68.6 -63.4 -28.2 -5.1 -15.0 8.2 10 10 A A T 3<5S+ 0 0 85 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.734 107.4 39.8 -64.9 -21.9 -7.1 -18.0 9.5 11 11 A K T < 5S- 0 0 119 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.050 128.7 -94.1-115.5 24.4 -7.5 -16.1 12.8 12 12 A G T < 5S+ 0 0 65 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.657 90.2 104.9 81.2 20.2 -8.0 -12.7 11.2 13 13 A R < - 0 0 34 -5,-2.1 2,-0.3 -8,-0.1 -1,-0.3 -0.757 59.0-128.8-123.0 167.9 -4.4 -11.4 11.3 14 14 A Y E -a 264 0A 11 249,-1.6 251,-1.9 -2,-0.2 2,-0.4 -0.821 7.3-152.0-110.6 159.9 -1.5 -10.8 8.9 15 15 A F E +a 265 0A 1 -2,-0.3 23,-2.9 249,-0.2 24,-0.7 -0.962 28.7 169.8-129.6 117.9 2.1 -11.9 9.1 16 16 A G E -ab 266 39A 0 249,-3.1 251,-2.4 -2,-0.4 2,-0.3 -0.630 23.1-146.1-122.8 175.9 4.6 -9.7 7.3 17 17 A A E -ab 267 40A 0 22,-1.7 24,-1.9 249,-0.3 2,-0.3 -0.995 28.7-108.7-139.7 146.6 8.3 -8.9 6.8 18 18 A A E - b 0 41A 0 249,-2.1 2,-0.4 -2,-0.3 252,-0.3 -0.576 43.2-157.6 -65.1 134.5 10.4 -5.9 6.2 19 19 A V E - b 0 42A 1 22,-2.9 24,-2.6 -2,-0.3 2,-0.5 -0.955 13.5-151.0-124.9 138.9 11.5 -6.0 2.5 20 20 A A > - 0 0 5 -2,-0.4 3,-1.7 22,-0.2 4,-0.5 -0.947 10.7-147.5-108.2 126.4 14.5 -4.4 0.7 21 21 A A G > S+ 0 0 10 -2,-0.5 3,-1.3 1,-0.3 4,-0.4 0.863 96.1 64.5 -56.8 -38.9 14.1 -3.6 -3.0 22 22 A N G 3 S+ 0 0 118 1,-0.3 -1,-0.3 2,-0.1 40,-0.0 0.489 105.5 44.0 -70.2 -2.6 17.8 -4.2 -3.7 23 23 A H G X S+ 0 0 28 -3,-1.7 3,-1.9 2,-0.1 7,-0.3 0.435 84.5 94.7-114.4 -4.0 17.4 -7.9 -2.7 24 24 A L T < S+ 0 0 28 -3,-1.3 -2,-0.1 -4,-0.5 6,-0.1 0.745 81.3 57.1 -60.8 -27.5 14.1 -8.6 -4.6 25 25 A G T 3 S+ 0 0 82 -4,-0.4 2,-0.6 4,-0.1 -1,-0.3 0.455 81.9 102.5 -82.8 -2.0 16.0 -9.9 -7.7 26 26 A E S <> S- 0 0 64 -3,-1.9 4,-2.7 1,-0.1 3,-0.4 -0.765 71.3-141.3 -87.7 118.7 17.8 -12.6 -5.6 27 27 A A H > S+ 0 0 86 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.811 96.9 42.0 -51.2 -44.5 16.1 -15.9 -6.2 28 28 A A H > S+ 0 0 48 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.832 114.7 51.4 -75.7 -32.8 16.2 -17.3 -2.6 29 29 A Y H > S+ 0 0 5 -3,-0.4 4,-2.6 -6,-0.2 -2,-0.2 0.961 115.5 41.3 -66.2 -51.3 15.2 -14.0 -1.0 30 30 A A H X S+ 0 0 17 -4,-2.7 4,-2.7 -7,-0.3 5,-0.2 0.891 114.6 52.5 -63.5 -41.1 12.2 -13.6 -3.3 31 31 A S H X S+ 0 0 75 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.912 111.9 45.4 -61.8 -44.3 11.3 -17.3 -3.0 32 32 A T H X S+ 0 0 13 -4,-2.2 4,-1.3 2,-0.2 5,-0.3 0.937 113.4 49.9 -65.3 -48.8 11.4 -17.1 0.8 33 33 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-0.5 0.942 116.0 41.7 -50.8 -52.7 9.4 -13.9 0.9 34 34 A D H < S+ 0 0 44 -4,-2.7 -32,-0.2 1,-0.2 -1,-0.2 0.799 114.4 50.9 -72.2 -31.8 6.7 -15.3 -1.4 35 35 A A H < S+ 0 0 51 -4,-2.2 -32,-2.4 -5,-0.2 -1,-0.2 0.704 124.5 24.3 -73.9 -21.6 6.5 -18.7 0.2 36 36 A Q H < S+ 0 0 18 -4,-1.3 -31,-1.9 -3,-0.5 -32,-1.1 0.793 102.2 67.8-118.0 -37.9 6.1 -17.3 3.7 37 37 A F < - 0 0 0 -4,-2.4 -21,-0.2 -5,-0.3 -1,-0.1 -0.697 36.5-171.5-110.8 147.7 4.7 -13.8 4.1 38 38 A G S S+ 0 0 7 -23,-2.9 38,-2.3 -2,-0.3 2,-0.3 0.301 78.7 37.4-111.4 5.9 1.3 -12.1 3.6 39 39 A S E -bc 16 76A 0 -24,-0.7 -22,-1.7 36,-0.3 2,-0.3 -0.981 64.2-157.1-152.2 150.9 2.4 -8.5 4.2 40 40 A V E -bc 17 77A 2 36,-2.2 38,-2.6 -2,-0.3 -22,-0.2 -0.965 5.4-162.2-130.0 150.0 5.5 -6.3 3.4 41 41 A T E -b 18 0A 0 -24,-1.9 -22,-2.9 -2,-0.3 2,-0.2 -0.981 29.3-123.0-125.7 121.0 7.1 -3.2 4.8 42 42 A P E -b 19 0A 0 0, 0.0 4,-0.2 0, 0.0 -22,-0.2 -0.454 21.5-151.3 -57.7 120.4 9.6 -1.3 2.7 43 43 A E S S- 0 0 27 -24,-2.6 -23,-0.1 -2,-0.2 -25,-0.0 0.901 80.3 -15.1 -66.4 -40.4 12.7 -1.2 5.0 44 44 A N S > S+ 0 0 71 -25,-0.3 3,-1.5 3,-0.1 6,-0.3 0.539 112.0 91.2-135.2 -19.6 14.1 2.1 3.7 45 45 A E T 3 S+ 0 0 20 1,-0.3 18,-0.5 17,-0.1 19,-0.1 0.548 90.9 43.4 -74.4 -14.5 12.5 2.9 0.3 46 46 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 5,-0.1 0.275 85.0 118.2-111.1 6.9 9.6 5.1 1.7 47 47 A K S X> S- 0 0 21 -3,-1.5 4,-1.6 1,-0.1 3,-1.3 -0.371 80.9-104.3 -68.6 154.5 11.6 7.1 4.2 48 48 A W H >> S+ 0 0 10 33,-0.4 4,-2.8 1,-0.3 3,-0.5 0.896 120.0 49.1 -48.5 -50.8 11.8 10.8 3.6 49 49 A D H 34 S+ 0 0 68 38,-0.6 -1,-0.3 1,-0.2 4,-0.2 0.725 112.1 51.0 -67.8 -17.9 15.4 10.9 2.2 50 50 A A H <4 S+ 0 0 36 -3,-1.3 -1,-0.2 -6,-0.3 -2,-0.2 0.748 122.2 28.1 -85.9 -29.7 14.5 8.0 -0.2 51 51 A V H << S+ 0 0 0 -4,-1.6 8,-2.0 -3,-0.5 -2,-0.2 0.659 134.7 23.0-108.3 -20.7 11.3 9.6 -1.6 52 52 A E < + 0 0 0 -4,-2.8 6,-0.1 -5,-0.3 -2,-0.1 -0.412 62.5 145.6-145.6 64.0 11.9 13.4 -1.3 53 53 A S S S+ 0 0 64 -4,-0.2 2,-0.4 4,-0.2 38,-0.2 0.777 77.7 44.4 -72.5 -28.0 15.7 14.1 -1.1 54 54 A S B > S-I 57 0B 71 3,-0.7 3,-2.2 -3,-0.1 -1,-0.1 -0.964 111.1 -91.0-115.0 137.7 15.1 17.4 -3.1 55 55 A R T 3 S- 0 0 114 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.211 104.8 -6.1 -57.1 127.0 12.2 19.6 -2.1 56 56 A N T 3 S+ 0 0 90 1,-0.2 2,-0.5 -4,-0.1 -1,-0.3 0.548 106.4 112.8 63.9 13.0 9.0 18.8 -4.0 57 57 A S B < -I 54 0B 75 -3,-2.2 -3,-0.7 2,-0.0 2,-0.4 -0.967 54.4-157.6-113.9 115.1 10.8 16.3 -6.2 58 58 A F - 0 0 44 -2,-0.5 2,-0.5 -6,-0.1 -6,-0.2 -0.784 15.0-168.0-106.4 138.1 9.6 12.8 -5.6 59 59 A S + 0 0 59 -8,-2.0 4,-0.3 -2,-0.4 3,-0.2 -0.847 20.6 156.9-125.4 92.2 11.5 9.5 -6.3 60 60 A F > + 0 0 30 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.454 40.4 102.8 -96.2 -3.6 9.1 6.5 -6.0 61 61 A S H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.881 83.2 44.4 -53.8 -51.2 10.9 3.9 -8.2 62 62 A A H > S+ 0 0 33 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.929 118.2 43.2 -61.8 -47.9 12.5 1.7 -5.4 63 63 A A H > S+ 0 0 2 -18,-0.5 4,-2.5 -4,-0.3 3,-0.2 0.880 108.9 59.7 -65.3 -37.8 9.3 1.7 -3.3 64 64 A D H X S+ 0 0 51 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.838 99.4 57.6 -57.7 -35.5 7.2 1.1 -6.4 65 65 A R H X S+ 0 0 128 -4,-1.6 4,-1.7 -3,-0.3 -1,-0.2 0.900 109.7 44.0 -62.7 -40.9 9.1 -2.1 -7.0 66 66 A I H X S+ 0 0 2 -4,-1.1 4,-2.6 -3,-0.2 -2,-0.2 0.924 115.7 46.8 -68.0 -45.9 8.2 -3.4 -3.5 67 67 A V H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.923 111.8 50.8 -63.3 -46.0 4.5 -2.3 -3.8 68 68 A S H X S+ 0 0 77 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.890 111.3 48.8 -57.6 -43.8 4.2 -3.8 -7.3 69 69 A H H X S+ 0 0 35 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.945 110.9 50.4 -61.2 -49.2 5.6 -7.1 -6.1 70 70 A A H >X>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 3,-0.7 0.922 110.7 48.6 -54.3 -48.5 3.2 -7.2 -3.1 71 71 A Q H ><5S+ 0 0 100 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.875 108.3 54.1 -62.7 -38.1 0.2 -6.5 -5.3 72 72 A S H 3<5S+ 0 0 83 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.744 115.1 40.8 -67.9 -23.6 1.2 -9.3 -7.8 73 73 A K H <<5S- 0 0 97 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.381 114.5-112.4-104.5 0.5 1.4 -11.7 -4.9 74 74 A G T <<5 + 0 0 60 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.795 66.6 149.8 70.6 28.3 -1.8 -10.5 -3.0 75 75 A M < - 0 0 12 -5,-3.0 -36,-0.3 -6,-0.2 -1,-0.2 -0.716 45.9-121.4 -93.2 145.6 0.3 -9.2 -0.1 76 76 A K E -c 39 0A 94 -38,-2.3 -36,-2.2 -2,-0.3 2,-0.4 -0.387 24.4-141.4 -73.7 159.8 -0.6 -6.3 2.1 77 77 A V E -c 40 0A 1 -38,-0.2 43,-2.2 41,-0.2 44,-1.1 -0.994 6.9-156.1-128.0 132.5 1.7 -3.3 2.3 78 78 A R E -d 121 0A 1 -38,-2.6 2,-0.4 -2,-0.4 44,-0.2 -0.948 21.3-135.8-101.6 125.1 2.6 -1.1 5.4 79 79 A G E -d 122 0A 0 42,-3.0 44,-2.8 -2,-0.5 2,-0.3 -0.660 21.8-140.8 -79.6 132.8 3.8 2.4 4.4 80 80 A H E -d 123 0A 4 -2,-0.4 -34,-0.5 1,-0.2 44,-0.1 -0.940 52.6 -19.7-147.8 115.1 6.9 3.4 6.5 81 81 A T E + 0 0 3 42,-0.6 -33,-0.4 -2,-0.3 -1,-0.2 0.671 39.7 170.4-145.8 148.5 7.2 6.3 7.5 82 82 A L E S+ 0 0 1 41,-2.3 2,-0.5 1,-0.2 43,-0.2 0.939 82.8 23.4 -79.6 -49.4 5.8 9.8 6.8 83 83 A V E S+d 125 0A 2 41,-1.9 43,-2.1 40,-0.3 2,-0.3 -0.983 74.2 146.3-125.1 119.9 7.0 12.1 9.6 84 84 A W E -d 126 0A 26 -2,-0.5 43,-0.1 41,-0.2 -36,-0.1 -0.982 48.3-135.1-156.5 138.6 10.2 11.0 11.5 85 85 A H S > S+ 0 0 52 41,-0.5 3,-0.5 -2,-0.3 2,-0.2 0.728 81.4 88.5 -66.0 -24.4 13.0 13.0 13.2 86 86 A S T 3 S- 0 0 34 1,-0.2 -38,-0.2 54,-0.0 -2,-0.1 -0.522 92.0 -0.7 -91.1 146.0 15.6 10.6 11.7 87 87 A Q T 3 S+ 0 0 92 -2,-0.2 -38,-0.6 1,-0.2 -1,-0.2 0.765 79.3 166.0 57.1 33.6 17.5 10.6 8.4 88 88 A L < - 0 0 36 -3,-0.5 -1,-0.2 -40,-0.1 -35,-0.1 -0.503 44.7 -97.9 -73.6 146.8 15.9 13.8 7.1 89 89 A P >> - 0 0 16 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.301 40.1-106.6 -57.4 151.8 17.4 15.6 4.1 90 90 A G T 34 S+ 0 0 66 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.774 113.5 59.7 -54.2 -32.2 19.7 18.5 5.1 91 91 A W T 34 S+ 0 0 63 -38,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.507 88.0 72.5 -81.9 -7.1 17.2 21.2 4.0 92 92 A V T X4 S+ 0 0 0 -3,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.951 91.2 54.5 -73.0 -47.9 14.3 20.2 6.3 93 93 A S T 3< S+ 0 0 64 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.792 101.9 54.5 -61.6 -37.4 15.7 21.4 9.6 94 94 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.671 82.2 114.5 -71.8 -14.5 16.5 25.1 8.7 95 95 A L S < S- 0 0 27 -3,-1.2 50,-0.0 -4,-0.4 2,-0.0 -0.276 71.0-117.5 -60.3 136.5 12.9 25.8 7.5 96 96 A A >> - 0 0 53 1,-0.1 4,-2.6 4,-0.1 3,-0.7 -0.341 37.0 -96.1 -67.0 157.5 10.9 28.3 9.5 97 97 A A H 3> S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.843 122.4 48.6 -43.8 -54.1 7.7 27.0 11.2 98 98 A T H 3> S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.878 116.0 43.8 -60.5 -36.8 5.3 28.0 8.5 99 99 A D H <> S+ 0 0 70 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.824 111.2 53.7 -79.7 -32.9 7.4 26.5 5.7 100 100 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.922 108.4 50.7 -62.0 -46.1 8.1 23.3 7.6 101 101 A R H X S+ 0 0 84 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.942 112.6 46.3 -57.5 -50.2 4.4 22.9 8.1 102 102 A S H X S+ 0 0 70 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.927 114.4 47.2 -55.3 -49.2 3.8 23.3 4.4 103 103 A A H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.899 112.4 50.1 -63.8 -41.9 6.7 21.0 3.5 104 104 A M H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.947 113.8 43.7 -61.4 -50.2 5.5 18.3 6.0 105 105 A N H X S+ 0 0 29 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.887 113.3 52.3 -65.9 -37.4 1.9 18.3 4.7 106 106 A N H X S+ 0 0 48 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.899 110.3 48.9 -60.1 -44.0 3.1 18.4 1.1 107 107 A H H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.947 113.4 45.9 -61.1 -52.9 5.3 15.3 1.8 108 108 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.925 115.7 47.9 -52.4 -48.9 2.4 13.4 3.5 109 109 A T H X S+ 0 0 49 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.925 114.8 40.8 -68.4 -47.9 0.0 14.4 0.7 110 110 A Q H X S+ 0 0 67 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.882 116.5 49.1 -71.0 -36.9 2.2 13.5 -2.4 111 111 A V H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.3 -2,-0.2 0.963 115.1 44.1 -65.9 -48.4 3.6 10.3 -0.9 112 112 A M H < S+ 0 0 0 -4,-2.3 4,-0.2 -5,-0.3 -2,-0.2 0.859 110.8 56.8 -64.1 -35.0 0.1 9.0 0.1 113 113 A T H >< S+ 0 0 82 -4,-2.0 3,-1.3 -5,-0.2 -1,-0.2 0.916 103.0 53.2 -59.5 -46.5 -1.3 10.1 -3.3 114 114 A H H 3< S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.866 119.7 34.1 -60.2 -35.3 1.2 7.9 -5.2 115 115 A Y T >< S+ 0 0 2 -4,-1.3 3,-2.5 -5,-0.1 4,-0.4 0.200 83.9 153.1-104.3 13.6 0.2 4.9 -3.2 116 116 A K T < S+ 0 0 116 -3,-1.3 -3,-0.1 1,-0.3 46,-0.1 -0.170 73.4 6.0 -53.4 129.8 -3.5 5.7 -2.7 117 117 A G T 3 S+ 0 0 55 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.425 115.3 82.5 79.2 0.1 -5.6 2.5 -2.2 118 118 A K S < S+ 0 0 94 -3,-2.5 2,-0.5 1,-0.0 -41,-0.2 0.424 71.1 85.5-111.4 -1.0 -2.6 0.3 -2.1 119 119 A I - 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