==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-NOV-96 1BAY . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE CLASS PI; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR M.C.VEGA,M.COLL . 387 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 11 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 47.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 0 0 2 0 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 102 0, 0.0 2,-0.2 0, 0.0 43,-0.2 0.000 360.0 360.0 360.0 169.6 27.9 31.2 12.9 2 2 A P - 0 0 100 0, 0.0 41,-2.2 0, 0.0 2,-0.4 0.489 360.0-152.4 -64.8 161.6 26.2 32.1 15.2 3 3 A Y E +A 42 0A 14 24,-0.3 26,-2.0 39,-0.2 2,-0.4 -0.927 18.4 175.0-114.2 137.2 23.6 33.9 13.1 4 4 A T E -Ab 41 29A 22 37,-1.8 37,-2.3 -2,-0.4 2,-0.5 -0.995 15.1-157.8-139.3 141.2 21.5 36.8 14.3 5 5 A I E -Ab 40 30A 0 24,-2.8 26,-3.0 -2,-0.4 2,-0.6 -0.989 4.9-165.0-122.6 119.7 19.0 38.9 12.4 6 6 A V E +Ab 39 31A 11 33,-2.9 33,-1.9 -2,-0.5 2,-0.3 -0.946 35.4 126.7-103.7 122.4 18.2 42.4 13.7 7 7 A Y E - b 0 32A 20 24,-2.0 26,-1.8 -2,-0.6 -2,-0.1 -0.987 60.2 -79.8-166.9 167.0 15.0 43.8 12.1 8 8 A F - 0 0 69 -2,-0.3 2,-2.4 24,-0.2 26,-0.2 -0.322 59.8 -93.3 -69.1 159.3 11.6 45.3 12.6 9 9 A P S S+ 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.381 92.8 97.1 -78.3 66.6 8.7 42.9 13.5 10 10 A V S S- 0 0 10 -2,-2.4 178,-0.2 1,-0.2 179,-0.1 -0.918 77.6-124.3-144.2 164.6 7.6 42.4 9.9 11 11 A R S >> S+ 0 0 53 176,-2.5 3,-2.2 -2,-0.3 4,-1.2 0.957 72.7 119.1 -74.6 -54.5 8.1 39.9 7.2 12 12 A G G >4 S- 0 0 13 176,-3.0 3,-0.5 1,-0.3 4,-0.3 0.144 86.1 -9.2 31.2-127.5 9.4 42.5 4.7 13 13 A R G 34 S+ 0 0 69 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.310 130.7 61.2 -81.2 5.5 12.9 42.1 3.5 14 14 A C G <> S+ 0 0 0 -3,-2.2 4,-2.2 -4,-0.1 -1,-0.2 0.640 76.3 81.4-108.4 -15.3 13.9 39.3 5.9 15 15 A E H S+ 0 0 4 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.945 111.0 41.7 -65.2 -46.8 13.6 35.3 2.1 17 17 A M H > S+ 0 0 2 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.836 113.1 54.9 -69.7 -30.8 16.7 34.9 4.2 18 18 A R H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.917 109.7 45.5 -67.8 -42.9 14.7 33.3 7.0 19 19 A M H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.878 112.2 54.0 -65.6 -37.4 13.2 30.6 4.6 20 20 A L H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.937 111.1 43.3 -61.8 -49.3 16.8 30.1 3.3 21 21 A L H <>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 3,-0.3 0.937 115.6 49.1 -64.0 -45.2 18.3 29.5 6.7 22 22 A A H ><5S+ 0 0 18 -4,-2.5 3,-2.4 1,-0.2 -2,-0.2 0.964 111.5 49.0 -57.2 -52.3 15.3 27.2 7.7 23 23 A D H 3<5S+ 0 0 11 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.734 110.5 50.9 -61.8 -25.5 15.6 25.3 4.5 24 24 A Q T 3<5S- 0 0 55 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.280 116.3-116.8 -93.7 8.2 19.3 24.8 5.0 25 25 A G T < 5 + 0 0 46 -3,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.812 65.2 145.0 61.4 34.9 18.7 23.6 8.5 26 26 A Q < - 0 0 70 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.697 41.1-136.3-102.3 154.2 20.5 26.5 10.2 27 27 A S + 0 0 103 -2,-0.3 -24,-0.3 2,-0.0 2,-0.3 -0.768 26.4 168.9-107.2 157.2 19.6 28.1 13.5 28 28 A W - 0 0 49 -2,-0.3 2,-0.4 -26,-0.1 -24,-0.2 -0.972 29.1-119.6-160.3 165.5 19.5 31.8 14.2 29 29 A K E -b 4 0A 155 -26,-2.0 -24,-2.8 -2,-0.3 2,-0.4 -0.946 20.7-142.9-116.0 136.9 18.4 34.4 16.7 30 30 A E E -b 5 0A 53 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.2 -0.837 8.3-165.3 -99.7 136.6 16.0 37.3 16.0 31 31 A E E -b 6 0A 100 -26,-3.0 -24,-2.0 -2,-0.4 2,-0.3 -0.933 16.7-150.0-124.4 100.3 16.5 40.7 17.6 32 32 A V E +b 7 0A 96 -2,-0.6 2,-0.3 -26,-0.2 -24,-0.2 -0.590 18.3 176.9 -79.5 133.1 13.3 42.7 17.2 33 33 A V 0 0 55 -26,-1.8 -2,-0.0 -2,-0.3 0, 0.0 -0.898 360.0 360.0-130.1 155.1 13.5 46.5 16.9 34 34 A T 0 0 150 -2,-0.3 -26,-0.0 -26,-0.2 -2,-0.0 -0.984 360.0 360.0-129.5 360.0 10.7 49.1 16.4 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 51 A Q 0 0 180 0, 0.0 13,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.9 19.8 50.6 8.1 37 52 A L + 0 0 38 11,-0.1 13,-0.1 2,-0.1 -30,-0.1 -0.248 360.0 66.9 -63.3 154.9 18.0 47.4 9.0 38 53 A P - 0 0 3 0, 0.0 11,-0.7 0, 0.0 2,-0.4 0.437 63.4-178.0 -77.7 149.5 18.2 44.5 8.6 39 54 A K E -AC 6 48A 54 -33,-1.9 -33,-2.9 9,-0.2 2,-0.4 -0.896 7.9-166.0-107.2 141.1 21.5 44.0 10.3 40 55 A F E -AC 5 47A 0 7,-2.6 7,-3.1 -2,-0.4 2,-0.4 -0.992 7.7-159.3-135.1 139.7 22.8 40.5 10.2 41 56 A E E +AC 4 46A 53 -37,-2.3 -37,-1.8 -2,-0.4 2,-0.4 -0.973 12.6 176.9-122.7 135.1 25.6 38.8 12.1 42 57 A D E > -AC 3 45A 22 3,-2.8 3,-2.1 -2,-0.4 -39,-0.2 -0.835 68.9 -66.7-133.3 89.8 27.5 35.7 11.1 43 58 A G T 3 S- 0 0 30 -41,-2.2 -1,-0.2 -2,-0.4 -39,-0.0 -0.458 121.3 -6.6 64.5-126.0 30.1 35.2 13.8 44 59 A D T 3 S+ 0 0 160 -2,-0.2 2,-0.5 -43,-0.2 -1,-0.3 0.539 119.3 93.5 -77.0 -10.1 32.7 38.0 13.5 45 60 A L E < -C 42 0A 16 -3,-2.1 -3,-2.8 2,-0.0 2,-0.5 -0.775 53.8-170.6 -94.8 124.4 31.0 39.3 10.3 46 61 A T E -C 41 0A 53 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.943 11.9-176.2-110.2 130.3 28.3 42.1 10.5 47 62 A L E -C 40 0A 1 -7,-3.1 -7,-2.6 -2,-0.5 2,-0.3 -0.907 13.9-168.1-128.2 157.4 26.4 42.9 7.3 48 63 A Y E +C 39 0A 86 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.883 54.4 63.6-134.2 162.2 23.7 45.3 6.2 49 64 A Q S >> S- 0 0 55 -11,-0.7 4,-2.1 -13,-0.6 3,-0.8 0.785 73.2-123.7 83.3 108.2 21.6 45.4 3.0 50 65 A S H 3> S+ 0 0 10 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.819 110.6 48.1 -48.4 -39.7 19.2 42.4 2.5 51 66 A N H 3> S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.814 107.4 53.8 -75.3 -29.6 20.7 41.5 -0.9 52 67 A A H <> S+ 0 0 0 -3,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.890 111.8 48.4 -68.1 -38.0 24.4 41.6 0.4 53 68 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.946 109.3 50.4 -66.7 -49.6 23.2 39.2 3.1 54 69 A L H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.913 111.8 48.8 -55.7 -45.3 21.5 36.8 0.7 55 70 A R H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.872 109.7 51.7 -63.8 -37.9 24.6 36.7 -1.5 56 71 A H H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.874 110.8 47.7 -65.1 -40.3 26.8 36.0 1.5 57 72 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 6,-0.2 0.883 111.7 52.5 -67.6 -34.4 24.5 33.2 2.5 58 73 A G H X>S+ 0 0 0 -4,-2.2 5,-2.8 -5,-0.2 4,-0.6 0.919 112.9 43.1 -66.5 -44.3 24.7 32.0 -1.1 59 74 A R H <5S+ 0 0 60 -4,-2.6 3,-0.4 3,-0.2 -2,-0.2 0.946 120.5 38.8 -67.4 -50.2 28.5 32.0 -1.1 60 75 A S H <5S+ 0 0 36 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.791 121.8 42.2 -72.7 -31.1 29.1 30.4 2.3 61 76 A L H <5S- 0 0 40 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.434 112.7-112.4 -96.3 -1.0 26.3 27.9 2.1 62 77 A G T <5S+ 0 0 63 -4,-0.6 -3,-0.2 -3,-0.4 3,-0.2 0.889 77.2 125.9 73.2 43.9 26.9 26.9 -1.6 63 78 A L < + 0 0 10 -5,-2.8 72,-2.3 -6,-0.2 73,-0.3 -0.276 44.5 90.1-124.4 43.1 23.7 28.3 -3.1 64 79 A Y S S- 0 0 24 1,-0.4 3,-0.1 -6,-0.3 -1,-0.1 0.003 93.4 -99.2-128.0 26.0 25.3 30.5 -5.8 65 80 A G - 0 0 42 68,-0.2 -1,-0.4 -3,-0.2 3,-0.1 -0.211 31.6 -87.2 87.9-177.9 25.5 28.0 -8.8 66 81 A K S S+ 0 0 138 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.538 95.4 11.1-110.7 -14.1 28.3 25.9 -10.2 67 82 A N S > S- 0 0 68 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.916 84.6 -82.3-154.0-178.6 30.0 28.3 -12.6 68 83 A Q H > S+ 0 0 97 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.862 121.9 51.4 -58.0 -43.7 30.4 31.8 -13.9 69 84 A R H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 111.9 45.2 -63.9 -45.9 27.3 31.6 -16.2 70 85 A E H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.909 111.6 52.8 -65.5 -41.7 25.0 30.4 -13.4 71 86 A A H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.911 111.7 46.4 -60.6 -40.3 26.3 33.0 -11.0 72 87 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.866 112.5 49.0 -71.4 -36.4 25.7 35.8 -13.5 73 88 A Q H X S+ 0 0 50 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.859 110.4 52.1 -71.5 -33.7 22.2 34.5 -14.3 74 89 A M H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.926 109.9 48.3 -66.8 -43.6 21.4 34.3 -10.6 75 90 A D H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.938 110.6 52.4 -60.4 -46.2 22.5 37.9 -10.1 76 91 A M H X S+ 0 0 35 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.915 111.4 46.2 -55.3 -47.2 20.4 38.9 -13.1 77 92 A V H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.904 112.7 48.5 -64.7 -44.7 17.3 37.2 -11.6 78 93 A N H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.934 109.3 52.5 -64.4 -42.8 17.7 38.7 -8.1 79 94 A D H X S+ 0 0 17 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.911 110.0 50.4 -58.6 -38.5 18.2 42.2 -9.5 80 95 A G H X S+ 0 0 15 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.934 110.3 48.8 -64.4 -44.6 15.0 41.6 -11.4 81 96 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.910 109.9 51.9 -60.2 -44.6 13.3 40.5 -8.2 82 97 A E H X S+ 0 0 38 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.837 104.7 56.6 -64.0 -34.2 14.6 43.5 -6.3 83 98 A D H X S+ 0 0 84 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.951 111.2 42.4 -63.3 -47.8 13.3 46.0 -9.0 84 99 A L H X S+ 0 0 6 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.889 112.9 53.9 -66.0 -38.8 9.7 44.6 -8.6 85 100 A R H X S+ 0 0 9 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.907 106.8 51.7 -62.5 -42.1 10.1 44.6 -4.7 86 101 A G H X S+ 0 0 24 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.881 110.8 47.3 -62.0 -39.7 11.1 48.2 -4.7 87 102 A K H X S+ 0 0 111 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.969 111.5 52.4 -64.6 -47.8 8.1 49.1 -6.8 88 103 A Y H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.895 108.0 49.8 -52.7 -49.6 5.9 47.1 -4.4 89 104 A V H X S+ 0 0 46 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.915 108.5 53.5 -57.9 -45.0 7.3 48.8 -1.3 90 105 A T H X>S+ 0 0 85 -4,-1.9 4,-1.9 2,-0.2 5,-1.0 0.865 111.0 47.0 -58.3 -40.0 6.6 52.2 -2.9 91 106 A L H X5S+ 0 0 11 -4,-2.0 4,-1.3 3,-0.2 5,-0.4 0.999 113.4 46.4 -63.7 -63.5 3.0 51.2 -3.5 92 107 A I H <5S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.828 126.0 29.1 -46.5 -47.6 2.4 49.8 -0.1 93 108 A Y H <5S+ 0 0 108 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.661 132.9 25.5 -93.7 -16.9 3.9 52.7 1.8 94 109 A T H <5S+ 0 0 112 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.808 130.6 8.6-118.2 -41.5 3.3 55.6 -0.6 95 110 A N S X S+ 0 0 38 -5,-0.4 4,-1.4 -4,-0.3 5,-0.1 0.919 71.7 44.7 -64.8 -53.4 -1.6 52.2 -2.0 97 112 A E H 4 S+ 0 0 123 2,-0.2 4,-0.4 1,-0.1 -1,-0.1 0.965 128.4 24.3 -57.0 -59.7 -5.3 53.4 -2.3 98 113 A N H 4 S+ 0 0 133 1,-0.2 4,-0.5 2,-0.1 3,-0.4 0.917 126.5 46.6 -75.5 -47.1 -5.0 55.2 -5.7 99 114 A G H X S+ 0 0 9 -4,-1.4 4,-2.2 1,-0.2 -3,-0.2 0.642 87.1 86.2 -74.8 -15.2 -2.0 53.4 -7.2 100 115 A K H X S+ 0 0 57 -4,-1.4 4,-2.6 -5,-0.3 5,-0.2 0.921 88.3 51.4 -52.3 -49.6 -3.0 49.8 -6.4 101 116 A N H > S+ 0 0 115 -3,-0.4 4,-2.0 -4,-0.4 -1,-0.2 0.938 110.4 46.6 -52.5 -57.4 -5.1 49.4 -9.6 102 117 A D H > S+ 0 0 112 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.882 112.7 52.4 -53.6 -42.6 -2.4 50.6 -11.9 103 118 A Y H X S+ 0 0 31 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.948 107.6 49.1 -60.3 -53.3 0.1 48.3 -10.2 104 119 A V H < S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 111.9 50.3 -56.2 -38.4 -2.0 45.2 -10.5 105 120 A K H < S+ 0 0 162 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.907 114.0 42.4 -67.3 -45.5 -2.6 45.8 -14.2 106 121 A A H >X S+ 0 0 50 -4,-2.1 3,-1.5 -5,-0.2 4,-0.7 0.752 96.9 86.7 -72.3 -23.3 1.1 46.3 -15.0 107 122 A L H >X S+ 0 0 2 -4,-2.0 3,-2.2 1,-0.3 4,-1.1 0.872 78.8 56.0 -45.7 -56.0 1.9 43.4 -12.8 108 123 A P H 3> S+ 0 0 61 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.781 101.1 61.8 -53.4 -24.5 1.5 40.5 -15.3 109 124 A G H <4 S+ 0 0 55 -3,-1.5 -2,-0.2 -4,-0.3 -3,-0.1 0.788 104.1 48.2 -71.4 -26.1 4.1 42.3 -17.5 110 125 A H H << S+ 0 0 57 -3,-2.2 4,-0.3 -4,-0.7 -1,-0.2 0.698 110.1 50.9 -86.0 -22.3 6.7 42.0 -14.8 111 126 A L H >X S+ 0 0 1 -4,-1.1 3,-1.7 1,-0.2 4,-1.6 0.849 90.0 76.6 -85.4 -33.7 6.1 38.3 -14.2 112 127 A K H 3X S+ 0 0 113 -4,-1.7 4,-2.9 1,-0.3 5,-0.2 0.847 89.2 58.2 -44.6 -47.8 6.3 37.0 -17.8 113 128 A P H 3> S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.836 106.9 48.0 -56.8 -30.9 10.1 37.2 -17.9 114 129 A F H <> S+ 0 0 14 -3,-1.7 4,-2.1 -4,-0.3 -2,-0.2 0.857 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5,-0.2 0.928 110.7 51.2 -59.5 -44.2 8.9 35.3 -1.3 143 158 A L H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.878 111.7 47.2 -60.4 -40.3 8.1 38.0 -3.9 144 159 A L H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.896 108.9 54.4 -69.2 -41.5 5.5 35.7 -5.5 145 160 A L H X S+ 0 0 36 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.921 110.1 45.2 -59.2 -47.3 3.9 34.7 -2.2 146 161 A I H X S+ 0 0 12 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.822 110.7 55.0 -69.6 -27.9 3.3 38.4 -1.2 147 162 A H H X S+ 0 0 1 -4,-1.3 4,-2.9 2,-0.2 -1,-0.2 0.838 101.1 56.7 -73.7 -30.6 2.0 39.2 -4.7 148 163 A Q H < S+ 0 0 70 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.771 110.2 47.7 -67.6 -25.4 -0.6 36.4 -4.5 149 164 A V H < S+ 0 0 60 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.875 112.3 47.7 -79.7 -40.0 -1.8 38.3 -1.4 150 165 A L H < S+ 0 0 3 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.887 134.8 10.5 -67.6 -39.9 -1.8 41.7 -3.1 151 166 A A S >< S- 0 0 11 -4,-2.9 3,-2.0 -5,-0.1 -1,-0.3 -0.775 80.0-146.2-144.5 90.4 -3.7 40.3 -6.1 152 167 A P T 3 S+ 0 0 113 0, 0.0 -3,-0.1 0, 0.0 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112.6 44.1 -60.6 -41.5 2.2 28.6 -10.1 163 178 A A H X S+ 0 0 41 -4,-2.0 4,-3.1 -5,-0.2 -2,-0.2 0.915 111.6 54.0 -68.3 -44.9 3.7 25.2 -10.1 164 179 A Y H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.929 108.3 48.8 -55.7 -49.6 7.1 26.5 -8.9 165 180 A V H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.942 114.0 45.8 -59.6 -47.0 5.4 28.2 -5.9 166 181 A A H X S+ 0 0 64 -4,-1.7 4,-1.0 -5,-0.2 -2,-0.2 0.934 114.2 49.8 -62.2 -43.2 3.5 25.1 -5.0 167 182 A R H >< S+ 0 0 70 -4,-3.1 3,-0.6 1,-0.2 4,-0.3 0.938 115.9 39.0 -60.6 -54.6 6.6 22.9 -5.4 168 183 A L H >< S+ 0 0 2 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.792 110.5 59.3 -69.7 -29.4 9.0 25.0 -3.3 169 184 A S H 3< S+ 0 0 27 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.732 101.2 58.6 -70.1 -21.6 6.4 25.8 -0.7 170 185 A A T << S+ 0 0 61 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.539 71.7 120.0 -84.3 -11.7 6.1 22.0 -0.2 171 186 A R S X> S- 0 0 74 -3,-1.0 4,-2.9 -4,-0.3 3,-0.9 -0.444 73.6-124.0 -57.2 123.8 9.8 21.6 0.7 172 187 A P H 3> S+ 0 0 104 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.817 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