==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-AUG-10 3OLH . COMPND 2 MOLECULE: 3-MERCAPTOPYRUVATE SULFURTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KARLBERG,R.COLLINS,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA,A.M . 278 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 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 . 17 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 0 1 0 2 1 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 1 1 1 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 . 1 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 . 0 0 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 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 7 A F 0 0 120 0, 0.0 255,-0.0 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 153.1 -35.8 -24.1 -14.4 2 8 A Q + 0 0 116 1,-0.1 116,-0.1 254,-0.0 3,-0.1 0.951 360.0 151.8 45.7 81.6 -34.0 -27.1 -16.0 3 9 A S + 0 0 7 1,-0.1 117,-1.0 116,-0.1 2,-0.4 0.586 54.4 56.6-108.2 -20.3 -35.0 -26.8 -19.8 4 10 A M E -a 120 0A 39 115,-0.3 2,-0.3 87,-0.1 117,-0.2 -0.942 58.5-166.3-123.0 143.9 -31.9 -28.5 -21.4 5 11 A V E -a 121 0A 13 115,-3.1 117,-2.3 -2,-0.4 2,-0.1 -0.952 20.0-125.7-124.1 143.3 -30.5 -32.1 -21.0 6 12 A S > - 0 0 59 -2,-0.3 4,-1.3 115,-0.2 117,-0.1 -0.256 28.1-103.4 -83.6 172.0 -27.0 -33.3 -22.3 7 13 A A H > S+ 0 0 6 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.731 123.7 45.8 -65.8 -25.9 -26.1 -36.3 -24.5 8 14 A Q H > S+ 0 0 106 2,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.835 103.7 60.6 -87.2 -36.7 -24.9 -38.2 -21.3 9 15 A W H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.905 104.9 49.4 -53.5 -49.9 -28.0 -37.4 -19.1 10 16 A V H X S+ 0 0 0 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.800 104.8 58.4 -62.9 -36.4 -30.4 -39.1 -21.5 11 17 A A H X S+ 0 0 24 -4,-0.6 4,-1.0 2,-0.2 -1,-0.2 0.860 113.0 39.8 -62.3 -39.0 -28.2 -42.3 -21.7 12 18 A E H X S+ 0 0 112 -4,-1.3 4,-1.5 -3,-0.4 3,-0.2 0.945 109.6 57.0 -75.5 -54.1 -28.5 -42.7 -17.9 13 19 A A H < S+ 0 0 25 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.713 106.4 52.8 -56.3 -23.4 -32.3 -41.7 -17.4 14 20 A L H < S+ 0 0 70 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.930 109.5 45.2 -77.6 -50.1 -33.3 -44.5 -19.9 15 21 A R H < S+ 0 0 167 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.629 121.4 47.9 -67.7 -18.3 -31.4 -47.3 -18.1 16 22 A A < + 0 0 46 -4,-1.5 2,-0.2 -5,-0.0 -2,-0.1 0.325 69.0 176.8 -52.9-145.4 -32.9 -45.8 -14.9 17 23 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.264 15.2-147.2 -94.5-118.1 -36.0 -45.2 -14.9 18 24 A R - 0 0 76 -2,-0.2 2,-0.5 0, 0.0 3,-0.2 -0.810 28.0 -96.3-169.5 179.3 -37.8 -43.9 -11.8 19 25 A A S S+ 0 0 105 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.954 102.0 6.1-126.9 111.4 -41.4 -44.5 -10.7 20 26 A G S S+ 0 0 65 -2,-0.5 -1,-0.2 0, 0.0 0, 0.0 0.722 115.2 80.5 88.9 27.7 -44.0 -41.9 -11.5 21 27 A Q - 0 0 55 -3,-0.2 67,-0.2 68,-0.0 2,-0.0 -0.444 64.7-177.1-163.7 68.0 -41.7 -39.9 -13.7 22 28 A P - 0 0 56 0, 0.0 67,-2.6 0, 0.0 2,-0.3 -0.260 16.6-132.9 -78.9 160.6 -41.4 -41.5 -17.1 23 29 A L E -b 89 0A 40 65,-0.2 2,-0.2 -10,-0.1 67,-0.2 -0.804 16.9-175.8-110.4 156.2 -39.2 -40.4 -20.1 24 30 A Q E -b 90 0A 23 65,-1.7 67,-1.9 -2,-0.3 2,-0.2 -0.772 12.3-152.8-155.6 105.8 -40.1 -39.9 -23.8 25 31 A L E -b 91 0A 3 -2,-0.2 26,-1.8 65,-0.2 2,-0.4 -0.502 14.3-162.8 -75.3 144.0 -37.6 -39.0 -26.5 26 32 A L E -bc 92 51A 0 65,-2.3 67,-2.5 24,-0.2 2,-0.9 -0.999 19.7-151.4-136.0 134.8 -38.8 -37.2 -29.6 27 33 A D E +bc 93 52A 6 24,-2.2 26,-1.4 -2,-0.4 2,-0.6 -0.833 20.8 173.6-102.3 91.8 -37.3 -36.6 -33.1 28 34 A A + 0 0 0 65,-2.3 2,-0.2 -2,-0.9 78,-0.1 -0.325 16.6 160.0 -94.7 48.9 -38.8 -33.2 -34.1 29 35 A S + 0 0 4 -2,-0.6 26,-0.3 9,-0.2 2,-0.3 -0.539 7.7 166.7 -72.4 133.0 -36.7 -33.0 -37.3 30 36 A W - 0 0 23 -2,-0.2 2,-0.3 24,-0.1 72,-0.1 -0.933 9.0-175.4-150.3 128.6 -38.2 -30.5 -39.8 31 37 A Y - 0 0 40 -2,-0.3 7,-0.1 5,-0.2 3,-0.0 -0.882 30.6-111.1-126.9 159.1 -36.5 -29.1 -42.9 32 38 A L - 0 0 40 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.623 64.8 -77.8 -79.1 143.4 -37.2 -26.6 -45.7 33 39 A P 0 0 130 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.284 360.0 360.0 -50.2 109.0 -37.7 -28.5 -49.1 34 40 A K 0 0 110 -2,-0.2 -2,-0.1 2,-0.2 0, 0.0 -0.619 360.0 360.0-168.0 360.0 -34.0 -29.1 -49.9 35 ! 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 36 43 A R 0 0 122 0, 0.0 2,-0.6 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 126.4 -34.3 -34.2 -46.9 37 44 A D > - 0 0 90 1,-0.1 4,-2.4 -7,-0.1 5,-0.2 -0.922 360.0-169.3-113.2 102.7 -37.0 -36.5 -45.5 38 45 A A H > S+ 0 0 14 -2,-0.6 4,-1.0 1,-0.2 -9,-0.2 0.790 87.3 46.1 -59.6 -36.2 -37.2 -36.2 -41.7 39 46 A R H > S+ 0 0 89 2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.845 115.4 44.5 -79.2 -37.2 -39.5 -39.3 -41.3 40 47 A R H > S+ 0 0 126 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.871 113.4 51.7 -72.7 -37.8 -37.5 -41.6 -43.6 41 48 A E H X S+ 0 0 53 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.800 107.4 54.0 -65.1 -34.9 -34.2 -40.5 -42.1 42 49 A F H < S+ 0 0 3 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.916 107.4 49.4 -63.7 -47.7 -35.7 -41.3 -38.6 43 50 A E H < S+ 0 0 57 -4,-1.4 95,-1.5 1,-0.2 -2,-0.2 0.768 114.1 47.2 -66.3 -27.0 -36.6 -44.9 -39.7 44 51 A E H < S+ 0 0 116 -4,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.934 132.3 3.2 -76.4 -53.2 -33.0 -45.3 -41.0 45 52 A R S < S+ 0 0 173 -4,-2.6 -1,-0.3 92,-0.1 2,-0.3 -0.968 77.3 140.5-143.0 122.3 -31.2 -43.8 -37.9 46 53 A H - 0 0 10 90,-2.0 3,-0.0 -2,-0.3 -4,-0.0 -0.937 51.0 -88.1-153.0 169.7 -32.7 -42.6 -34.5 47 54 A I > - 0 0 0 -2,-0.3 3,-2.5 1,-0.1 -22,-0.1 -0.670 59.4 -90.5 -82.6 133.9 -32.1 -42.7 -30.7 48 55 A P T 3 S+ 0 0 45 0, 0.0 -23,-0.1 0, 0.0 -1,-0.1 -0.197 113.0 13.0 -51.5 128.0 -33.5 -45.7 -28.8 49 56 A G T 3 S+ 0 0 42 1,-0.3 -24,-0.1 -25,-0.1 2,-0.1 0.124 93.8 139.0 92.2 -16.7 -37.1 -45.1 -27.6 50 57 A A < - 0 0 0 -3,-2.5 2,-0.3 -26,-0.1 -1,-0.3 -0.381 36.0-161.0 -67.1 134.6 -37.5 -41.9 -29.8 51 58 A A E -c 26 0A 6 -26,-1.8 -24,-2.2 -2,-0.1 2,-0.5 -0.864 28.5-106.2-110.0 144.1 -40.8 -41.4 -31.6 52 59 A F E -c 27 0A 14 -2,-0.3 2,-0.7 -26,-0.2 -24,-0.2 -0.654 25.9-154.2 -79.9 124.3 -41.0 -39.0 -34.6 53 60 A F - 0 0 0 -26,-1.4 2,-0.9 -2,-0.5 53,-0.1 -0.875 8.5-150.8 -97.1 110.9 -42.7 -35.7 -33.8 54 61 A D > - 0 0 38 -2,-0.7 4,-2.9 1,-0.2 3,-0.1 -0.756 8.0-167.3 -88.2 104.6 -44.1 -34.3 -37.1 55 62 A I T 4 S+ 0 0 2 -2,-0.9 -1,-0.2 -26,-0.3 -25,-0.1 0.851 90.0 44.4 -57.6 -41.4 -44.1 -30.4 -36.8 56 63 A D T 4 S+ 0 0 70 1,-0.1 11,-0.3 11,-0.1 3,-0.3 0.751 115.2 49.0 -78.4 -25.2 -46.4 -30.0 -39.9 57 64 A Q T 4 S+ 0 0 106 1,-0.2 2,-1.9 -3,-0.1 -2,-0.2 0.946 104.9 56.7 -77.4 -49.8 -48.8 -32.8 -38.8 58 65 A C S < S+ 0 0 1 -4,-2.9 2,-0.3 12,-0.1 -1,-0.2 -0.534 96.6 102.9 -82.1 70.1 -49.2 -31.5 -35.1 59 66 A S S S- 0 0 9 -2,-1.9 12,-0.2 -3,-0.3 10,-0.2 -0.905 85.5 -62.4-145.0 169.3 -50.5 -28.1 -36.4 60 67 A D - 0 0 56 8,-1.9 8,-0.3 -2,-0.3 7,-0.1 -0.427 42.3-153.5 -62.5 124.2 -53.7 -26.0 -36.9 61 68 A R S S+ 0 0 199 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.437 86.2 45.0 -81.9 -6.4 -55.8 -28.0 -39.5 62 69 A T S S+ 0 0 125 3,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.751 86.7 96.5-109.7 -32.7 -57.7 -25.0 -40.9 63 70 A S - 0 0 36 1,-0.1 5,-0.1 2,-0.1 -4,-0.0 -0.235 67.7-139.0 -59.9 142.7 -55.0 -22.3 -41.5 64 71 A P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.605 85.0 88.1 -77.1 -6.8 -53.4 -21.8 -45.0 65 72 A Y S S- 0 0 47 1,-0.0 3,-0.5 206,-0.0 2,-0.2 -0.714 82.7-119.6 -92.2 143.0 -50.1 -21.4 -43.1 66 73 A D S S+ 0 0 114 -2,-0.3 -10,-0.1 1,-0.2 -1,-0.0 -0.512 84.6 8.2 -85.3 150.1 -47.9 -24.4 -42.2 67 74 A H S S+ 0 0 6 -11,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.875 77.9 161.6 41.6 54.5 -47.0 -25.4 -38.6 68 75 A M - 0 0 34 -3,-0.5 -8,-1.9 -8,-0.3 -1,-0.2 -0.737 57.6 -82.8 -85.5 146.1 -49.3 -22.9 -36.9 69 76 A L - 0 0 13 -2,-0.3 -10,-0.2 -10,-0.2 -1,-0.1 -0.296 54.2-129.5 -52.2 132.4 -50.0 -23.9 -33.2 70 77 A P - 0 0 5 0, 0.0 -10,-0.2 0, 0.0 2,-0.1 -0.154 27.8 -83.3 -75.9-179.8 -52.8 -26.5 -33.1 71 78 A G > - 0 0 41 -12,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.358 41.2-108.4 -75.1 162.1 -55.9 -26.5 -31.0 72 79 A A H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.905 119.0 48.4 -60.0 -45.6 -55.8 -27.8 -27.4 73 80 A E H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 111.7 50.7 -64.0 -39.3 -57.8 -31.0 -28.2 74 81 A H H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.912 111.1 46.6 -65.4 -46.7 -55.6 -31.8 -31.3 75 82 A F H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.835 111.2 53.1 -65.4 -35.5 -52.3 -31.4 -29.3 76 83 A A H X S+ 0 0 15 -4,-1.8 4,-2.5 2,-0.2 71,-0.2 0.953 112.0 44.2 -63.2 -48.6 -53.7 -33.6 -26.5 77 84 A E H X S+ 0 0 78 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.866 118.7 45.3 -62.3 -39.9 -54.6 -36.4 -29.0 78 85 A Y H X S+ 0 0 21 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.969 117.2 40.0 -70.3 -58.7 -51.1 -36.0 -30.7 79 86 A A H ><>S+ 0 0 0 -4,-3.0 5,-1.1 2,-0.2 3,-0.5 0.871 117.0 53.4 -58.7 -39.7 -48.8 -35.8 -27.6 80 87 A G H >X5S+ 0 0 0 -4,-2.5 3,-2.6 -5,-0.3 4,-0.7 0.982 107.9 46.8 -57.3 -61.7 -51.0 -38.6 -26.0 81 88 A R H 3<5S+ 0 0 204 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.591 108.4 60.9 -57.9 -13.0 -50.7 -41.1 -28.9 82 89 A L T <<5S- 0 0 26 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.381 128.6 -92.0 -95.9 -1.3 -46.9 -40.2 -28.9 83 90 A G T <45S+ 0 0 11 -3,-2.6 2,-0.4 1,-0.3 -3,-0.2 0.836 81.2 134.5 90.9 40.6 -46.4 -41.5 -25.3 84 91 A V << + 0 0 0 -5,-1.1 -1,-0.3 -4,-0.7 2,-0.2 -0.989 19.1 152.1-125.4 125.7 -46.9 -38.3 -23.3 85 92 A G - 0 0 9 -2,-0.4 3,-0.3 62,-0.1 62,-0.1 -0.478 60.0 -67.8-127.8-160.8 -49.0 -38.2 -20.1 86 93 A A S S+ 0 0 96 59,-0.3 31,-0.2 60,-0.2 60,-0.1 0.905 130.5 33.6 -64.2 -47.0 -49.2 -36.1 -16.8 87 94 A A S S+ 0 0 52 2,-0.1 -1,-0.2 -64,-0.0 2,-0.1 0.362 91.4 123.7 -94.6 2.5 -45.9 -37.4 -15.3 88 95 A T - 0 0 11 -3,-0.3 2,-0.6 -67,-0.2 -65,-0.2 -0.351 51.6-148.0 -69.6 143.4 -43.9 -37.8 -18.6 89 96 A H E -b 23 0A 44 -67,-2.6 -65,-1.7 -2,-0.1 2,-0.2 -0.932 18.1-153.7-115.1 101.3 -40.6 -36.0 -19.1 90 97 A V E -bd 24 118A 0 27,-1.7 29,-3.0 -2,-0.6 2,-0.4 -0.554 10.9-169.9 -79.4 136.8 -40.2 -35.2 -22.8 91 98 A V E -bd 25 119A 0 -67,-1.9 -65,-2.3 -2,-0.2 2,-0.4 -0.985 10.7-160.3-128.3 115.0 -36.7 -34.8 -24.4 92 99 A I E +bd 26 120A 0 27,-1.8 29,-3.0 -2,-0.4 2,-0.2 -0.847 17.7 159.9-105.8 137.5 -36.7 -33.3 -27.9 93 100 A Y E -b 27 0A 1 -67,-2.5 -65,-2.3 -2,-0.4 2,-0.3 -0.801 17.5-156.9-137.0 174.8 -33.8 -33.6 -30.5 94 101 A D - 0 0 0 5,-0.5 31,-2.0 -2,-0.2 32,-0.5 -0.964 27.5-124.6-157.5 149.8 -33.3 -33.3 -34.4 95 102 A A + 0 0 14 -2,-0.3 5,-0.1 29,-0.2 29,-0.1 -0.081 61.3 145.9 -86.5 31.5 -30.8 -34.6 -37.0 96 103 A S > - 0 0 2 3,-0.3 3,-0.7 1,-0.1 30,-0.4 -0.325 60.1-125.7 -72.0 153.6 -30.1 -31.0 -38.2 97 104 A D T 3 S+ 0 0 104 1,-0.2 -1,-0.1 28,-0.1 4,-0.0 0.737 112.7 55.3 -68.3 -27.3 -26.7 -29.8 -39.4 98 105 A Q T 3 S- 0 0 70 1,-0.1 2,-0.3 116,-0.0 -1,-0.2 0.598 113.4-119.2 -80.3 -17.4 -26.8 -27.0 -36.8 99 106 A G S < S+ 0 0 0 -3,-0.7 -5,-0.5 23,-0.1 26,-0.4 -0.458 94.0 28.0 108.6 -54.6 -27.4 -29.5 -34.0 100 107 A L + 0 0 9 -2,-0.3 -71,-0.0 24,-0.1 -7,-0.0 -0.971 67.1 132.3-134.6 140.1 -30.7 -28.1 -32.9 101 108 A Y S S+ 0 0 29 -2,-0.3 4,-0.2 -3,-0.0 148,-0.2 0.265 82.6 18.1-151.5 -63.1 -33.1 -26.2 -35.3 102 109 A S S >> S+ 0 0 0 2,-0.1 4,-0.9 1,-0.1 3,-0.8 0.632 106.2 82.6 -97.5 -18.9 -36.8 -27.4 -35.2 103 110 A A H >> S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 3,-0.7 0.889 85.8 55.3 -56.7 -45.9 -36.5 -29.1 -31.7 104 111 A P H 3> S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.808 99.4 63.9 -60.6 -25.8 -36.9 -25.8 -29.6 105 112 A R H <> S+ 0 0 2 -3,-0.8 4,-1.3 2,-0.2 -2,-0.2 0.917 107.2 41.1 -58.9 -44.9 -40.3 -25.2 -31.5 106 113 A V H S+ 0 0 1 -4,-1.9 5,-2.4 1,-0.2 4,-0.3 0.887 112.8 51.6 -66.1 -37.1 -45.4 -28.4 -24.7 111 118 A R H ><5S+ 0 0 16 -4,-1.3 3,-0.8 1,-0.2 -2,-0.2 0.868 108.9 50.9 -63.1 -42.9 -44.8 -25.3 -22.4 112 119 A A H 3<5S+ 0 0 0 -4,-1.8 40,-2.9 1,-0.2 -1,-0.2 0.729 108.3 50.8 -67.7 -32.8 -47.6 -23.3 -24.1 113 120 A F T 3<5S- 0 0 3 -4,-1.2 37,-2.6 38,-0.2 -1,-0.2 0.398 127.1 -94.0 -90.8 1.4 -50.2 -26.1 -23.6 114 121 A G T < 5S+ 0 0 52 -3,-0.8 2,-1.0 -4,-0.3 -3,-0.2 0.338 91.1 116.8 105.9 -4.7 -49.4 -26.5 -19.9 115 122 A H < + 0 0 18 -5,-2.4 -2,-0.1 -6,-0.2 -1,-0.1 -0.771 26.9 166.0 -99.5 91.0 -46.9 -29.4 -19.8 116 123 A H + 0 0 113 -2,-1.0 2,-2.4 1,-0.2 -1,-0.2 0.609 53.5 95.2 -82.2 -10.3 -43.7 -27.7 -18.4 117 124 A A + 0 0 44 -31,-0.2 -27,-1.7 -7,-0.1 2,-0.3 -0.423 63.2 118.6 -78.8 63.6 -42.0 -31.2 -17.8 118 125 A V E + d 0 90A 4 -2,-2.4 2,-0.2 -29,-0.2 -27,-0.2 -0.999 38.1 176.8-136.1 132.6 -40.3 -30.8 -21.2 119 126 A S E - 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