==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAY-12 4FFA . COMPND 2 MOLECULE: RV3406 ALKYL SULFATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.M.SOGI,Z.J.GARTNER,M.A.BREIDENBACH,C.R.BERTOZZI . 946 12 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 632 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 238 25.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 73 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 18.4 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+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 0 2 3 7 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 PARALLEL BRIDGES PER LADDER . 12 1 10 13 11 2 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 . 3 1 8 0 2 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 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 4 A I 0 0 85 0, 0.0 2,-0.5 0, 0.0 15,-0.2 0.000 360.0 360.0 360.0 138.1 -12.4 -7.0 25.5 2 5 A T E -A 15 0A 91 13,-1.6 13,-1.7 2,-0.0 2,-0.5 -0.884 360.0-178.7-105.6 129.4 -13.9 -5.2 22.5 3 6 A V E -A 14 0A 66 -2,-0.5 2,-0.4 11,-0.2 11,-0.2 -0.983 9.5-165.4-123.4 117.9 -13.5 -6.4 18.9 4 7 A K E -A 13 0A 107 9,-2.7 9,-2.4 -2,-0.5 2,-0.2 -0.876 23.0-120.3-104.0 134.0 -15.1 -4.3 16.2 5 8 A K E -A 12 0A 50 -2,-0.4 7,-0.3 7,-0.2 3,-0.1 -0.498 24.1-175.1 -67.9 137.8 -15.5 -5.5 12.7 6 9 A L S S+ 0 0 48 5,-1.6 334,-1.3 1,-0.4 2,-0.3 0.603 70.7 8.7-106.4 -22.0 -13.8 -3.3 10.1 7 10 A G S S- 0 0 4 4,-0.8 -1,-0.4 332,-0.2 448,-0.1 -0.971 72.4-114.4-154.1 161.5 -15.0 -5.1 7.1 8 11 A S S S+ 0 0 19 446,-1.4 3,-0.1 -2,-0.3 447,-0.1 0.797 115.0 25.7 -70.8 -28.7 -17.4 -7.9 6.2 9 12 A R S S+ 0 0 81 172,-0.4 2,-0.3 1,-0.3 95,-0.2 0.532 129.6 4.6-112.8 -11.7 -14.7 -10.3 5.0 10 13 A I S S+ 0 0 3 173,-0.1 -1,-0.3 1,-0.1 29,-0.2 -0.965 85.7 51.7-172.6 150.6 -11.6 -9.3 6.9 11 14 A G - 0 0 0 27,-2.2 -5,-1.6 -2,-0.3 -4,-0.8 0.284 37.7-172.4 94.1 144.1 -10.2 -6.9 9.6 12 15 A A E -Ab 5 41A 0 28,-0.8 30,-2.7 -7,-0.3 2,-0.3 -0.911 16.4-135.7-167.6 142.7 -11.1 -6.0 13.1 13 16 A Q E -Ab 4 42A 51 -9,-2.4 -9,-2.7 -2,-0.3 2,-0.4 -0.781 16.2-158.1-103.1 147.4 -10.0 -3.5 15.8 14 17 A I E +Ab 3 43A 1 28,-3.3 30,-0.5 -2,-0.3 2,-0.2 -0.987 16.7 165.1-130.1 123.7 -9.5 -4.4 19.4 15 18 A D E +A 2 0A 89 -13,-1.7 -13,-1.6 -2,-0.4 3,-0.1 -0.761 51.7 63.1-127.2 178.8 -9.5 -2.0 22.3 16 19 A G S S+ 0 0 65 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.740 86.5 109.3 74.4 23.3 -9.7 -2.3 26.1 17 20 A V - 0 0 10 -3,-0.2 2,-1.0 -15,-0.1 -1,-0.2 -0.956 56.4-160.6-139.4 118.0 -6.4 -4.1 25.8 18 21 A R - 0 0 186 -2,-0.4 27,-0.1 -3,-0.1 28,-0.0 -0.811 33.9-132.5 -94.0 94.8 -3.0 -2.8 26.9 19 22 A L + 0 0 2 -2,-1.0 2,-0.3 2,-0.1 38,-0.1 -0.201 51.2 115.0 -55.2 129.0 -0.8 -5.2 24.9 20 23 A G S > S- 0 0 7 37,-0.1 3,-0.8 36,-0.1 34,-0.1 -0.949 73.3 -85.7 176.5 168.9 2.1 -6.8 26.9 21 24 A G T 3 S+ 0 0 20 32,-0.3 -2,-0.1 -2,-0.3 33,-0.0 0.542 111.3 64.2 -69.0 -9.5 3.6 -9.9 28.3 22 25 A D T 3 S+ 0 0 167 2,-0.0 -1,-0.3 3,-0.0 2,-0.2 -0.094 72.0 148.0-106.3 37.1 1.6 -10.1 31.5 23 26 A L < - 0 0 35 -3,-0.8 -4,-0.0 1,-0.1 -6,-0.0 -0.478 57.0-104.4 -76.0 138.7 -1.8 -10.6 29.9 24 27 A D >> - 0 0 109 -2,-0.2 4,-2.1 1,-0.1 3,-1.4 -0.384 33.1-121.6 -52.1 130.7 -4.6 -12.6 31.6 25 28 A P H 3> S+ 0 0 94 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.648 112.2 55.2 -54.0 -20.8 -4.7 -16.0 29.8 26 29 A A H 3> S+ 0 0 50 2,-0.2 4,-1.7 3,-0.1 5,-0.1 0.705 105.9 50.0 -88.1 -24.8 -8.4 -15.3 28.9 27 30 A A H <> S+ 0 0 19 -3,-1.4 4,-2.0 2,-0.2 5,-0.2 0.903 109.9 51.1 -74.0 -45.2 -7.6 -12.0 27.3 28 31 A V H X S+ 0 0 11 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.815 111.1 51.6 -56.2 -32.9 -4.9 -13.8 25.3 29 32 A N H X S+ 0 0 95 -4,-0.7 4,-2.5 -5,-0.3 -1,-0.2 0.906 107.1 48.2 -75.5 -42.6 -7.6 -16.3 24.3 30 33 A E H X S+ 0 0 106 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.837 110.5 54.2 -66.1 -33.5 -10.2 -13.8 23.1 31 34 A I H X S+ 0 0 2 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.935 109.8 46.5 -63.5 -49.1 -7.5 -12.1 21.0 32 35 A R H X S+ 0 0 68 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.927 109.2 54.2 -59.5 -46.7 -6.6 -15.3 19.3 33 36 A A H X S+ 0 0 59 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.940 113.4 43.6 -53.4 -45.4 -10.2 -16.2 18.7 34 37 A A H X S+ 0 0 10 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.901 111.1 53.7 -66.5 -44.8 -10.6 -12.8 17.0 35 38 A L H X S+ 0 0 11 -4,-3.1 4,-1.8 1,-0.2 162,-0.3 0.881 112.1 44.6 -55.0 -42.3 -7.3 -13.2 15.1 36 39 A L H < S+ 0 0 28 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.834 118.5 43.6 -75.1 -31.1 -8.5 -16.5 13.7 37 40 A A H < S+ 0 0 61 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.748 126.3 30.0 -85.2 -25.0 -11.9 -15.2 12.9 38 41 A H H < S- 0 0 32 -4,-2.6 -27,-2.2 -5,-0.1 2,-1.5 0.510 88.0-143.5-116.2 -7.5 -10.8 -11.9 11.4 39 42 A K S < S+ 0 0 9 -4,-1.8 158,-2.6 -5,-0.3 2,-0.3 -0.030 83.6 38.5 74.0 -34.8 -7.4 -12.8 9.9 40 43 A V E S- C 0 196A 0 -2,-1.5 -28,-0.8 156,-0.2 2,-0.4 -0.957 70.6-171.9-145.8 128.8 -5.9 -9.4 10.8 41 44 A V E -bC 12 195A 0 154,-2.7 154,-2.2 -2,-0.3 2,-0.4 -0.930 9.5-146.5-124.3 149.2 -6.6 -7.5 14.0 42 45 A F E -bC 13 194A 0 -30,-2.7 -28,-3.3 -2,-0.4 2,-0.4 -0.890 7.6-164.3-122.8 143.2 -5.6 -4.0 15.0 43 46 A F E -bC 14 193A 0 150,-2.7 150,-2.4 -2,-0.4 3,-0.3 -0.990 10.9-157.5-126.1 126.9 -4.7 -2.2 18.2 44 47 A R + 0 0 89 -30,-0.5 148,-0.2 -2,-0.4 147,-0.1 -0.695 66.9 15.5 -98.7 152.9 -4.6 1.5 18.6 45 48 A G + 0 0 37 145,-0.4 2,-1.6 -2,-0.3 3,-0.3 0.664 64.4 145.2 67.1 21.4 -2.7 3.6 21.2 46 49 A Q > + 0 0 7 145,-2.8 3,-1.0 -3,-0.3 145,-0.2 -0.387 13.5 146.7 -84.1 58.6 -0.2 1.0 22.4 47 50 A H T 3 + 0 0 138 -2,-1.6 -1,-0.2 1,-0.2 144,-0.1 0.687 61.3 69.9 -63.7 -18.2 2.4 3.7 22.8 48 51 A Q T 3 S+ 0 0 76 -3,-0.3 -1,-0.2 143,-0.1 5,-0.1 0.796 75.6 103.1 -73.1 -29.5 3.6 1.7 25.8 49 52 A L < + 0 0 7 -3,-1.0 2,-0.3 142,-0.1 142,-0.1 -0.242 45.4 177.5 -58.5 137.9 5.0 -1.2 23.7 50 53 A D > - 0 0 79 1,-0.0 4,-2.4 36,-0.0 5,-0.3 -0.794 48.9 -86.0-127.6 176.1 8.8 -1.4 23.1 51 54 A D H > S+ 0 0 92 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.898 127.9 38.6 -48.7 -50.7 10.8 -4.1 21.3 52 55 A A H > S+ 0 0 68 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.839 114.3 52.0 -73.7 -37.2 11.1 -6.4 24.3 53 56 A E H > S+ 0 0 67 2,-0.2 4,-1.6 1,-0.2 -32,-0.3 0.806 113.2 47.8 -68.7 -29.3 7.6 -5.8 25.7 54 57 A Q H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.906 109.5 50.6 -75.0 -46.7 6.4 -6.7 22.2 55 58 A L H X S+ 0 0 93 -4,-2.3 4,-1.0 -5,-0.3 -2,-0.2 0.823 110.8 52.6 -56.3 -33.5 8.5 -9.8 22.0 56 59 A A H < S+ 0 0 42 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.912 108.6 47.4 -70.9 -45.1 7.1 -10.7 25.4 57 60 A F H >< S+ 0 0 0 -4,-1.6 3,-0.8 1,-0.2 4,-0.3 0.812 108.9 54.2 -68.3 -32.1 3.5 -10.4 24.3 58 61 A A H >X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 3,-1.4 0.799 96.4 67.7 -70.0 -28.5 4.1 -12.4 21.1 59 62 A G T 3< S+ 0 0 41 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.738 94.5 59.6 -60.9 -21.0 5.5 -15.2 23.3 60 63 A L T <4 S+ 0 0 61 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.686 106.4 43.7 -81.4 -20.8 1.9 -15.5 24.6 61 64 A L T <4 S- 0 0 13 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.2 0.751 127.4 -46.9 -98.5 -28.4 0.4 -16.4 21.2 62 65 A G S < S- 0 0 28 -4,-1.7 -1,-0.2 161,-0.0 161,-0.1 -0.908 80.4 -42.7-174.2-154.9 3.0 -18.8 19.9 63 66 A T - 0 0 82 159,-0.3 159,-2.3 -2,-0.3 -4,-0.1 -0.816 50.2-137.9-103.2 104.3 6.7 -19.4 19.5 64 67 A P B D 221 0A 34 0, 0.0 157,-0.2 0, 0.0 19,-0.0 -0.131 360.0 360.0 -52.7 156.4 8.7 -16.4 18.3 65 68 A I 0 0 77 155,-1.7 179,-0.2 179,-0.0 155,-0.1 -0.611 360.0 360.0 -93.7 360.0 11.2 -17.4 15.6 66 ! 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 67 94 A N 0 0 102 0, 0.0 2,-0.3 0, 0.0 140,-0.1 0.000 360.0 360.0 360.0 178.2 6.2 -4.1 -2.7 68 95 A R - 0 0 80 135,-0.1 137,-0.2 138,-0.1 135,-0.1 -0.993 360.0 -67.0-152.4 168.0 3.7 -6.8 -3.9 69 96 A W + 0 0 29 -2,-0.3 84,-2.1 135,-0.1 2,-0.3 -0.178 66.1 137.6 -56.6 128.2 1.1 -9.3 -2.8 70 97 A H B -G 203 0B 19 133,-1.6 133,-3.1 82,-0.3 2,-0.4 -0.993 52.3-123.3-163.3 155.9 2.5 -12.2 -0.8 71 98 A T > - 0 0 2 80,-0.5 3,-1.0 -2,-0.3 83,-0.2 -0.871 59.3 -88.7 -95.5 141.6 2.2 -14.6 2.1 72 99 A D T 3 S- 0 0 19 -2,-0.4 -1,-0.0 1,-0.2 7,-0.0 -0.279 90.8 -21.9 -62.1 130.5 5.3 -14.4 4.3 73 100 A V T > S+ 0 0 45 1,-0.1 3,-2.2 6,-0.1 -1,-0.2 0.673 74.9 157.4 51.1 30.1 8.4 -16.6 3.5 74 101 A T T < + 0 0 0 -3,-1.0 50,-0.2 1,-0.3 -1,-0.1 0.610 58.4 80.4 -67.1 -5.3 6.4 -19.2 1.6 75 102 A F T 3 S+ 0 0 39 50,-0.1 2,-0.3 48,-0.1 -1,-0.3 0.581 87.3 71.8 -72.2 -7.7 9.5 -20.4 -0.2 76 103 A A S < S- 0 0 1 -3,-2.2 3,-0.5 1,-0.1 57,-0.1 -0.799 85.9-130.9-103.9 152.0 10.2 -22.4 3.0 77 104 A A S S+ 0 0 5 -2,-0.3 2,-1.0 1,-0.3 157,-0.1 0.944 103.2 40.6 -70.0 -48.6 8.2 -25.4 3.9 78 105 A N S S+ 0 0 20 147,-0.2 145,-0.4 -3,-0.1 -1,-0.3 -0.634 84.4 173.3-100.1 73.1 7.3 -24.4 7.5 79 106 A Y - 0 0 3 -2,-1.0 -6,-0.1 -3,-0.5 -5,-0.1 -0.458 40.6 -67.5 -83.9 159.6 6.6 -20.7 7.0 80 107 A P - 0 0 2 0, 0.0 142,-0.2 0, 0.0 -1,-0.2 0.142 28.8-154.1 -48.2 150.3 5.3 -18.4 9.8 81 108 A A S S- 0 0 8 140,-1.5 117,-1.4 1,-0.4 118,-0.9 0.792 74.0 -12.3 -92.8 -35.4 1.8 -18.8 11.3 82 109 A A E -EF 197 221A 5 139,-0.6 139,-2.9 115,-0.3 -1,-0.4 -0.963 57.2-145.7-159.3 163.9 1.4 -15.2 12.4 83 110 A S E -EF 196 220A 0 113,-1.2 113,-1.4 -2,-0.3 2,-0.6 -0.998 8.0-146.4-141.6 144.8 3.3 -11.9 12.9 84 111 A V E -EF 195 219A 0 135,-3.4 135,-3.2 -2,-0.3 2,-0.5 -0.955 23.4-173.1-108.8 119.8 3.0 -9.0 15.4 85 112 A L E -EF 194 218A 22 109,-3.3 109,-2.8 -2,-0.6 2,-0.4 -0.959 4.6-168.7-122.0 127.3 3.9 -5.6 13.8 86 113 A R E -EF 193 217A 32 131,-3.1 131,-3.0 -2,-0.5 2,-0.2 -0.916 22.0-125.2-117.0 134.7 4.3 -2.3 15.6 87 114 A A E + F 0 216A 6 105,-2.1 104,-0.4 -2,-0.4 129,-0.2 -0.546 37.5 158.4 -69.2 138.9 4.6 1.2 14.1 88 115 A V E + 0 0 63 127,-2.2 2,-0.4 -2,-0.2 128,-0.2 0.573 68.4 16.2-126.7 -47.6 7.7 3.0 15.3 89 116 A S E S- F 0 215A 41 126,-3.1 126,-3.2 101,-0.0 -1,-0.2 -0.943 72.8-170.5-135.0 114.7 8.5 5.8 12.8 90 117 A L - 0 0 45 -2,-0.4 124,-0.1 124,-0.2 123,-0.1 -0.802 21.4-119.4-111.7 143.7 5.8 6.8 10.3 91 118 A P - 0 0 16 0, 0.0 123,-0.1 0, 0.0 -1,-0.0 -0.437 30.1-114.3 -75.4 152.6 5.9 9.1 7.2 92 119 A S S S+ 0 0 78 117,-0.1 2,-0.3 -2,-0.1 117,-0.0 0.665 98.1 11.6 -65.5 -19.5 3.7 12.2 7.1 93 120 A Y S S+ 0 0 45 116,-0.1 159,-0.2 156,-0.0 158,-0.1 -0.977 113.9 13.2-150.7 163.8 1.7 10.7 4.3 94 121 A G + 0 0 22 157,-1.9 115,-0.2 -2,-0.3 113,-0.1 -0.336 60.3 118.2 72.4-155.6 1.4 7.4 2.5 95 122 A G + 0 0 2 111,-0.4 93,-0.3 1,-0.2 2,-0.1 0.717 41.0 151.3 68.9 25.8 2.8 4.2 4.0 96 123 A S - 0 0 5 91,-0.1 110,-1.2 110,-0.1 2,-0.4 -0.459 34.9-132.2 -86.3 163.1 -0.5 2.3 4.5 97 124 A T E -HI 186 205B 9 89,-1.9 89,-3.3 108,-0.2 2,-0.4 -0.912 8.4-145.9-126.0 145.4 -0.7 -1.5 4.4 98 125 A L E +HI 185 204B 10 106,-2.7 106,-2.3 -2,-0.4 2,-0.3 -0.847 13.1 179.6-109.2 143.1 -2.9 -4.1 2.6 99 126 A W E -HI 184 203B 1 85,-2.0 85,-2.5 -2,-0.4 2,-0.3 -0.992 7.7-162.1-134.8 146.5 -4.1 -7.5 3.7 100 127 A A E -HI 183 202B 0 102,-2.6 102,-1.3 -2,-0.3 2,-1.0 -0.961 23.4-120.6-128.0 147.4 -6.3 -10.1 1.9 101 128 A N E > - I 0 201B 8 81,-1.9 4,-2.5 -2,-0.3 100,-0.3 -0.688 23.4-177.2 -89.5 96.0 -8.3 -13.1 3.3 102 129 A T H > S+ 0 0 2 98,-1.4 47,-2.0 -2,-1.0 4,-1.1 0.719 83.1 56.3 -70.6 -18.4 -7.0 -16.2 1.5 103 130 A A H > S+ 0 0 5 97,-0.9 4,-2.5 45,-0.3 -1,-0.2 0.946 110.5 42.1 -69.6 -53.9 -9.7 -18.3 3.4 104 131 A A H > S+ 0 0 19 96,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.884 109.8 59.4 -62.4 -39.5 -12.6 -16.3 2.1 105 132 A A H X S+ 0 0 4 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.920 110.3 43.2 -51.6 -45.8 -11.0 -16.2 -1.3 106 133 A Y H >< S+ 0 0 19 -4,-1.1 3,-1.5 1,-0.2 -2,-0.2 0.964 111.7 51.0 -66.2 -54.3 -11.1 -20.0 -1.4 107 134 A A H 3< S+ 0 0 60 -4,-2.5 -1,-0.2 40,-0.3 -2,-0.2 0.814 109.2 53.7 -53.2 -34.3 -14.7 -20.3 0.0 108 135 A E H 3< S+ 0 0 95 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.664 84.5 114.3 -79.3 -16.6 -15.9 -17.9 -2.6 109 136 A L S << S- 0 0 6 -3,-1.5 2,-0.2 -4,-0.7 539,-0.1 -0.136 76.0-109.4 -48.7 145.4 -14.4 -19.9 -5.5 110 137 A P >> - 0 0 22 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.548 37.6-107.1 -67.1 149.4 -16.8 -21.5 -8.1 111 138 A E H 3> S+ 0 0 126 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.822 119.5 58.8 -56.5 -37.6 -16.7 -25.2 -7.6 112 139 A P H 3> S+ 0 0 14 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.888 109.1 45.2 -54.5 -40.3 -14.7 -25.7 -10.8 113 140 A L H <> S+ 0 0 1 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.803 109.8 55.8 -76.4 -28.4 -12.0 -23.5 -9.4 114 141 A K H X S+ 0 0 32 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.952 108.3 47.3 -61.4 -49.3 -12.2 -25.4 -6.1 115 142 A a H X S+ 0 0 17 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.937 114.8 46.8 -60.0 -47.3 -11.6 -28.7 -7.9 116 143 A L H >< S+ 0 0 2 -4,-2.0 3,-0.8 -5,-0.2 4,-0.3 0.942 115.6 43.2 -58.5 -53.3 -8.6 -27.1 -9.8 117 144 A T H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 20,-0.6 0.922 107.3 59.9 -62.7 -42.8 -7.0 -25.5 -6.7 118 145 A E H 3< S+ 0 0 33 -4,-2.9 111,-0.3 1,-0.3 -1,-0.2 0.734 115.4 36.6 -57.1 -21.8 -7.5 -28.5 -4.5 119 146 A N T << S+ 0 0 49 -4,-0.8 2,-0.4 -3,-0.8 -1,-0.3 0.322 99.0 99.7-113.8 6.1 -5.4 -30.5 -6.9 120 147 A L < - 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