==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 03-DEC-04 1Y62 . COMPND 2 MOLECULE: CONKUNITZIN-S1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.Y.DY,P.BUCZEK,M.P.HORVATH . 336 6 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 53.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 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 . 30 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 0 0 0 0 0 6 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 6 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 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 3 A R 0 0 214 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 102.3 18.1 18.0 18.6 2 4 A P > - 0 0 30 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.281 360.0-127.5 -58.2 135.8 18.3 21.5 20.0 3 5 A S G > S+ 0 0 93 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.666 103.4 77.1 -59.2 -17.4 16.4 22.1 23.3 4 6 A L G > S+ 0 0 8 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.751 81.9 68.7 -65.3 -22.4 14.6 25.1 21.7 5 7 A a G < S+ 0 0 3 -3,-2.2 20,-0.4 1,-0.2 -1,-0.3 0.598 93.4 56.7 -72.5 -11.7 12.5 22.5 19.9 6 8 A D G < S+ 0 0 45 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.533 84.3 108.4 -94.9 -10.8 10.8 21.5 23.2 7 9 A L S < S- 0 0 66 -3,-1.0 18,-0.2 -4,-0.3 2,-0.2 -0.289 72.8-113.2 -67.1 148.0 9.6 25.1 23.9 8 10 A P - 0 0 89 0, 0.0 35,-0.2 0, 0.0 33,-0.1 -0.526 38.9 -86.9 -83.8 155.8 5.9 25.9 23.6 9 11 A A - 0 0 45 -2,-0.2 2,-0.4 13,-0.1 35,-0.1 -0.345 47.1-168.7 -58.6 134.1 4.5 28.2 20.9 10 12 A D - 0 0 69 33,-0.2 31,-0.3 31,-0.1 -1,-0.1 -0.935 19.7-162.5-134.7 111.4 4.6 31.8 22.2 11 13 A S - 0 0 59 -2,-0.4 25,-2.4 1,-0.2 27,-0.3 0.700 41.7-146.9 -63.1 -23.5 2.8 34.6 20.4 12 14 A G - 0 0 27 23,-0.2 27,-0.3 1,-0.1 -1,-0.2 -0.197 21.6 -72.0 87.9-175.4 4.9 37.2 22.2 13 15 A S S S+ 0 0 93 25,-0.8 26,-0.2 -2,-0.0 -1,-0.1 0.707 90.7 100.4 -95.1 -25.6 4.5 40.8 23.4 14 16 A G - 0 0 13 24,-1.0 23,-0.2 -3,-0.1 22,-0.0 0.378 69.0-126.9 -53.3-171.7 4.3 42.7 20.2 15 17 A T + 0 0 136 21,-0.6 2,-0.2 2,-0.0 22,-0.2 0.272 66.3 108.1-127.4 8.7 1.3 44.1 18.2 16 18 A K - 0 0 124 20,-3.0 2,-0.8 22,-0.0 22,-0.1 -0.518 64.5-130.3 -87.9 158.5 1.8 42.8 14.6 17 19 A A + 0 0 109 -2,-0.2 2,-0.2 19,-0.1 19,-0.2 -0.811 52.4 141.7-109.3 86.9 -0.4 40.1 13.0 18 20 A E E -A 35 0A 56 17,-2.4 17,-2.0 -2,-0.8 2,-0.4 -0.700 43.2-128.6-121.3 174.4 2.1 37.6 11.6 19 21 A K E +A 34 0A 102 15,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.976 26.5 172.3-127.7 138.6 2.6 33.9 11.2 20 22 A R E -A 33 0A 20 13,-2.8 13,-2.0 -2,-0.4 2,-0.4 -0.846 28.6-113.7-136.3 175.6 5.5 31.7 12.2 21 23 A I E +AB 32 45A 16 24,-3.1 24,-2.7 -2,-0.3 2,-0.3 -0.930 29.6 175.7-117.6 135.7 6.6 28.1 12.4 22 24 A Y E -A 31 0A 34 9,-2.4 9,-2.3 -2,-0.4 2,-0.7 -0.983 34.2-112.2-136.8 146.3 7.3 26.3 15.7 23 25 A Y E -A 30 0A 16 -2,-0.3 2,-1.0 7,-0.2 7,-0.2 -0.730 21.7-155.7 -84.4 116.6 8.2 22.6 16.3 24 26 A N E >> -A 29 0A 27 5,-2.5 5,-1.5 -2,-0.7 4,-1.1 -0.810 6.1-168.9 -89.3 100.7 5.4 20.8 18.2 25 27 A S T 45S+ 0 0 12 -2,-1.0 172,-0.2 -20,-0.4 171,-0.2 0.800 83.5 57.8 -63.0 -26.1 7.3 18.0 19.8 26 28 A A T 45S+ 0 0 18 1,-0.2 154,-1.6 153,-0.1 -1,-0.2 0.952 115.3 32.9 -68.6 -51.3 4.0 16.3 20.8 27 29 A R T 45S- 0 0 118 152,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.525 104.7-130.7 -83.3 -5.4 2.7 16.1 17.3 28 30 A K T <5S+ 0 0 55 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.880 70.2 103.4 57.3 40.9 6.2 15.6 15.9 29 31 A Q E S- 0 0 104 1,-0.1 4,-1.3 -26,-0.1 3,-0.3 -0.947 72.5-143.1-121.4 134.3 10.4 29.2 7.1 48 50 A T H > S+ 0 0 64 -2,-0.4 4,-2.4 1,-0.2 5,-0.1 0.853 100.9 58.5 -57.6 -40.5 9.0 25.6 7.7 49 51 A Y H > S+ 0 0 155 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.877 103.3 52.4 -60.9 -38.2 12.1 24.0 6.2 50 52 A D H > S+ 0 0 16 -3,-0.3 4,-1.0 1,-0.2 252,-0.4 0.864 109.0 50.3 -65.7 -35.0 14.3 25.6 8.7 51 53 A b H X S+ 0 0 0 -4,-1.3 4,-3.1 2,-0.2 5,-0.5 0.909 112.6 48.4 -68.1 -40.6 12.1 24.3 11.5 52 54 A Q H X S+ 0 0 76 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.934 111.0 46.6 -67.0 -48.3 12.3 20.8 9.9 53 55 A R H < S+ 0 0 89 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.712 120.6 42.2 -68.8 -17.7 16.1 20.6 9.5 54 56 A T H < S+ 0 0 11 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.854 133.6 12.9 -92.9 -42.6 16.5 21.9 13.0 55 57 A a H < 0 0 14 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.730 360.0 360.0-111.0 -29.7 13.8 19.9 14.8 56 58 A L < 0 0 120 -4,-1.8 -27,-0.0 -5,-0.5 -1,-0.0 -0.703 360.0 360.0 -79.3 360.0 12.4 17.0 12.7 57 !* 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 58 3 B R 0 0 174 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 121.0 -21.5 -13.0 42.8 59 4 B P > - 0 0 56 0, 0.0 3,-1.1 0, 0.0 4,-0.2 -0.151 360.0-121.1 -57.6 151.0 -21.0 -12.3 39.0 60 5 B S G > S+ 0 0 98 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.783 107.2 72.9 -64.5 -28.0 -19.5 -15.0 36.8 61 6 B L G > S+ 0 0 47 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.805 82.5 70.5 -58.3 -30.0 -16.6 -12.7 35.9 62 7 B c G < S+ 0 0 0 -3,-1.1 20,-0.4 1,-0.3 -1,-0.3 0.693 93.1 54.9 -63.1 -21.7 -15.1 -13.3 39.4 63 8 B D G < S+ 0 0 99 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.551 85.1 111.5 -90.5 -6.4 -14.2 -16.9 38.6 64 9 B L S < S- 0 0 61 -3,-1.5 18,-0.2 -4,-0.3 2,-0.2 -0.151 71.0-111.8 -65.7 155.6 -12.1 -15.9 35.6 65 10 B P - 0 0 91 0, 0.0 35,-0.2 0, 0.0 33,-0.1 -0.610 39.4 -90.4 -88.7 154.1 -8.3 -16.3 35.5 66 11 B A - 0 0 44 -2,-0.2 2,-0.4 13,-0.1 35,-0.1 -0.418 46.0-167.8 -62.0 131.5 -6.0 -13.3 35.4 67 12 B D - 0 0 69 33,-0.3 31,-0.4 31,-0.1 -1,-0.0 -0.930 18.9-160.6-131.2 110.6 -5.4 -12.5 31.7 68 13 B S - 0 0 57 -2,-0.4 25,-2.8 1,-0.2 3,-0.3 0.699 39.8-148.5 -58.7 -25.4 -2.6 -10.0 30.8 69 14 B G - 0 0 29 23,-0.2 27,-0.3 1,-0.2 -1,-0.2 -0.417 22.6 -71.2 92.8-161.4 -4.2 -9.4 27.3 70 15 B S S S+ 0 0 94 25,-1.4 26,-0.2 -2,-0.1 -1,-0.2 0.330 87.6 104.3-122.6 4.0 -2.7 -8.7 23.9 71 16 B G - 0 0 15 24,-0.9 23,-0.2 -3,-0.3 22,-0.0 0.001 69.4-123.5 -76.8-169.3 -1.5 -5.0 24.2 72 17 B T S S+ 0 0 91 21,-0.4 22,-0.2 2,-0.0 2,-0.1 0.331 70.6 107.5-120.0 3.3 2.0 -3.6 24.5 73 18 B K - 0 0 21 20,-2.5 2,-0.7 1,-0.0 22,-0.1 -0.428 63.4-134.8 -85.7 158.9 1.7 -1.6 27.7 74 19 B A + 0 0 43 147,-0.5 2,-0.2 -2,-0.1 150,-0.2 -0.841 51.2 138.1-113.3 87.7 3.1 -2.3 31.2 75 20 B E E -C 92 0B 8 17,-2.5 17,-1.9 -2,-0.7 2,-0.4 -0.620 45.2-124.4-122.1-178.6 0.3 -1.7 33.6 76 21 B K E +C 91 0B 68 15,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.994 25.4 176.8-133.1 136.7 -1.3 -3.2 36.7 77 22 B R E -C 90 0B 9 13,-2.5 13,-2.3 -2,-0.4 2,-0.5 -0.832 28.3-114.2-131.7 173.3 -4.9 -4.3 37.3 78 23 B I E +CD 89 102B 18 24,-3.0 24,-2.8 -2,-0.3 2,-0.3 -0.935 32.3 176.2-114.0 129.1 -6.9 -5.9 40.0 79 24 B Y E -C 88 0B 34 9,-2.5 9,-2.1 -2,-0.5 2,-0.5 -0.958 33.1-113.1-130.0 150.5 -8.5 -9.3 39.5 80 25 B Y E -C 87 0B 4 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.728 21.0-158.4 -86.3 123.2 -10.4 -11.5 41.9 81 26 B N E >> -C 86 0B 33 5,-2.1 4,-1.4 -2,-0.5 5,-1.4 -0.907 6.3-171.3 -99.6 100.4 -8.5 -14.8 42.7 82 27 B S T 45S+ 0 0 53 -2,-0.8 -1,-0.2 -20,-0.4 -19,-0.1 0.824 82.2 60.9 -63.3 -30.1 -11.4 -17.0 43.9 83 28 B A T 45S+ 0 0 90 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.937 112.7 36.4 -62.8 -43.1 -8.9 -19.7 45.1 84 29 B R T 45S- 0 0 161 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.657 102.9-126.3 -87.0 -15.3 -7.3 -17.2 47.6 85 30 B K T <5S+ 0 0 144 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.823 76.3 97.7 70.1 39.3 -10.6 -15.3 48.6 86 31 B Q E > S- 0 0 186 1,-0.1 4,-1.5 -26,-0.1 3,-0.6 -0.951 73.3-140.9-120.7 133.8 -9.4 -0.0 41.7 105 50 B T H 3> S+ 0 0 66 -2,-0.4 4,-2.3 1,-0.2 -1,-0.1 0.812 103.0 55.7 -57.1 -33.6 -9.1 -2.7 44.4 106 51 B Y H 3> S+ 0 0 143 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.851 102.7 53.7 -71.7 -33.3 -12.4 -1.6 46.0 107 52 B D H <> S+ 0 0 77 -3,-0.6 4,-0.6 1,-0.2 -1,-0.2 0.875 111.8 47.2 -67.0 -33.9 -14.4 -2.0 42.8 108 53 B d H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.5 0.910 113.4 49.0 -69.8 -43.5 -13.0 -5.5 42.7 109 54 B Q H X S+ 0 0 67 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.917 111.5 45.8 -64.4 -46.1 -13.9 -6.0 46.4 110 55 B R H < S+ 0 0 180 -4,-3.0 -1,-0.2 3,-0.2 -2,-0.2 0.605 119.9 43.3 -75.4 -8.6 -17.5 -4.8 46.2 111 56 B T H < S+ 0 0 49 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.808 133.7 12.0-100.0 -40.2 -18.1 -6.8 43.1 112 57 B c H < 0 0 3 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.605 360.0 360.0-115.9 -19.1 -16.4 -10.1 44.0 113 58 B L < 0 0 109 -4,-2.1 -3,-0.2 -5,-0.5 -4,-0.1 0.794 360.0 360.0 -96.4 360.0 -15.6 -10.1 47.8 114 !* 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 0.0 115 3 C R 0 0 269 0, 0.0 54,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 42.1 -4.5 -1.6 14.1 116 4 C P > - 0 0 56 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.246 360.0-119.7 -54.3 143.3 -1.1 -2.3 15.8 117 5 C S G > S+ 0 0 19 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.756 109.3 69.0 -55.9 -29.9 0.9 0.9 16.5 118 6 C L G > S+ 0 0 32 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.834 89.2 66.3 -58.9 -32.2 3.8 -0.2 14.3 119 7 C e G < S+ 0 0 4 -3,-1.6 20,-0.3 1,-0.3 -1,-0.3 0.702 99.4 50.6 -63.0 -23.5 1.5 0.2 11.4 120 8 C D G < S+ 0 0 96 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.459 88.5 102.4 -95.7 -2.5 1.4 4.0 11.9 121 9 C L S < S- 0 0 8 -3,-1.5 18,-0.1 -4,-0.3 16,-0.1 -0.515 76.5-110.3 -81.8 148.0 5.2 4.4 12.1 122 10 C P - 0 0 96 0, 0.0 35,-0.2 0, 0.0 2,-0.2 -0.355 40.3 -89.2 -73.3 160.1 7.1 5.8 9.1 123 11 C A - 0 0 47 13,-0.1 2,-0.4 31,-0.1 35,-0.1 -0.481 45.3-164.9 -68.2 135.8 9.4 3.7 7.0 124 12 C D - 0 0 72 33,-0.3 31,-0.4 -2,-0.2 3,-0.1 -0.930 19.5-160.5-134.3 112.2 12.9 3.8 8.4 125 13 C S - 0 0 57 -2,-0.4 25,-3.4 1,-0.2 27,-0.4 0.665 42.6-144.9 -60.9 -21.3 16.0 2.7 6.5 126 14 C G - 0 0 27 23,-0.2 27,-0.3 1,-0.2 -1,-0.2 -0.282 21.2 -73.0 89.8-169.8 18.0 2.3 9.7 127 15 C S S S+ 0 0 83 25,-1.5 26,-0.2 -3,-0.1 -1,-0.2 0.109 87.5 106.1-118.9 21.3 21.6 2.9 10.7 128 16 C G - 0 0 20 24,-0.8 23,-0.2 -3,-0.4 22,-0.1 -0.119 69.5-123.6 -92.4-170.8 23.3 -0.1 9.0 129 17 C T S S+ 0 0 148 21,-0.4 22,-0.1 22,-0.0 -1,-0.1 0.464 74.0 100.4-112.1 -6.1 25.6 -0.6 6.0 130 18 C K - 0 0 131 20,-1.9 2,-0.5 1,-0.0 22,-0.1 -0.233 63.5-138.0 -81.3 167.3 23.6 -3.2 4.1 131 19 C A + 0 0 100 19,-0.1 2,-0.2 20,-0.1 19,-0.2 -0.845 42.6 153.8-127.1 88.2 21.3 -2.9 1.1 132 20 C E E -E 149 0C 52 17,-2.4 17,-1.7 -2,-0.5 2,-0.4 -0.669 40.7-124.5-111.9 167.2 18.3 -5.1 1.8 133 21 C K E +E 148 0C 124 -2,-0.2 2,-0.3 15,-0.2 15,-0.2 -0.943 35.7 167.6-114.4 133.8 14.6 -5.0 0.6 134 22 C R E -E 147 0C 25 13,-2.1 13,-2.4 -2,-0.4 2,-0.3 -0.910 29.2-118.3-139.5 170.2 11.9 -4.9 3.3 135 23 C I E +EF 146 159C 11 24,-2.8 24,-3.0 -2,-0.3 2,-0.3 -0.871 27.8 173.8-115.3 145.4 8.1 -4.3 3.5 136 24 C Y E -E 145 0C 35 9,-2.6 9,-2.7 -2,-0.3 2,-0.5 -0.976 35.1-106.5-145.5 154.6 6.3 -1.6 5.5 137 25 C Y E -E 144 0C 24 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.740 22.1-156.0 -89.4 124.0 2.8 -0.6 5.8 138 26 C N E >> -E 143 0C 35 5,-1.9 4,-1.6 -2,-0.5 5,-1.4 -0.888 5.9-168.1 -98.1 103.7 1.9 2.7 4.0 139 27 C S T 45S+ 0 0 59 -2,-0.8 -1,-0.1 -20,-0.3 -19,-0.1 0.652 83.0 58.0 -68.9 -16.6 -1.2 3.9 5.9 140 28 C A T 45S+ 0 0 92 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.931 119.9 28.3 -75.9 -47.7 -2.0 6.6 3.3 141 29 C R T 45S- 0 0 150 2,-0.2 -2,-0.2 -3,-0.0 -1,-0.1 0.573 102.0-135.3 -87.3 -12.6 -2.2 4.1 0.5 142 30 C K T <5 + 0 0 147 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.913 65.9 111.5 55.4 48.0 -3.3 1.3 2.8 143 31 C Q E > S- 0 0 143 1,-0.1 4,-1.4 -26,-0.1 3,-0.8 -0.942 73.6-140.7-120.4 132.6 7.4 -11.0 3.9 162 50 C T H 3> S+ 0 0 67 -2,-0.4 4,-1.8 1,-0.2 3,-0.2 0.866 104.2 54.0 -52.8 -40.3 4.7 -8.9 2.2 163 51 C Y H 3> S+ 0 0 132 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.800 102.3 57.1 -67.7 -29.9 1.9 -11.2 3.6 164 52 C D H <> S+ 0 0 51 -3,-0.8 4,-0.9 2,-0.2 -1,-0.2 0.881 108.2 47.7 -67.1 -38.5 3.2 -10.8 7.2 165 53 C f H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 5,-0.3 0.898 109.8 54.6 -67.8 -41.4 2.7 -7.0 6.9 166 54 C Q H X S+ 0 0 73 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.852 109.6 43.3 -64.5 -39.1 -0.7 -7.5 5.4 167 55 C R H < S+ 0 0 151 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.717 116.3 49.9 -82.6 -13.4 -2.2 -9.6 8.2 168 56 C T H < S+ 0 0 48 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.894 126.9 21.5 -86.0 -39.9 -0.6 -7.4 10.8 169 57 C e H < 0 0 16 -4,-2.7 -2,-0.2 -54,-0.1 -3,-0.2 0.497 360.0 360.0-109.0 -8.8 -1.9 -4.0 9.4 170 58 C L < 0 0 117 -4,-1.7 -27,-0.0 -5,-0.3 -28,-0.0 -0.865 360.0 360.0-121.0 360.0 -4.9 -5.0 7.2 171 !* 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 0.0 172 3 D R 0 0 160 0, 0.0 54,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 118.3 10.6 0.4 23.6 173 4 D P > - 0 0 31 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.269 360.0-119.9 -55.7 140.5 7.0 -0.2 22.4 174 5 D S G > S+ 0 0 19 1,-0.3 3,-1.2 2,-0.2 40,-0.1 0.703 109.0 67.0 -55.6 -25.0 6.0 1.3 19.1 175 6 D L G > S+ 0 0 4 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.821 88.1 69.2 -67.5 -28.1 3.2 3.4 20.6 176 7 D g G < S+ 0 0 0 -3,-1.8 20,-0.3 1,-0.3 -1,-0.3 0.682 97.6 51.7 -62.6 -20.9 5.9 5.4 22.5 177 8 D D G < S+ 0 0 64 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.315 88.8 103.8-101.1 8.8 6.9 6.8 19.1 178 9 D L S < S- 0 0 7 -3,-1.9 16,-0.1 1,-0.1 18,-0.1 -0.615 75.0-107.5 -92.2 148.6 3.4 8.0 18.1 179 10 D P - 0 0 47 0, 0.0 -152,-0.2 0, 0.0 35,-0.2 -0.333 39.7 -94.6 -70.7 157.3 2.3 11.6 18.2 180 11 D A - 0 0 16 -154,-1.6 2,-0.4 31,-0.1 35,-0.1 -0.497 43.4-162.2 -69.1 136.4 -0.2 12.9 20.8 181 12 D D - 0 0 70 33,-0.2 31,-0.3 -2,-0.2 3,-0.1 -0.914 19.6-158.7-133.0 110.1 -3.7 12.8 19.3 182 13 D S - 0 0 51 -2,-0.4 25,-3.2 1,-0.2 27,-0.4 0.704 42.3-145.6 -53.2 -26.8 -6.6 14.7 20.8 183 14 D G - 0 0 25 23,-0.2 27,-0.3 1,-0.2 -1,-0.2 -0.376 21.2 -78.5 91.0-167.2 -9.0 12.3 19.1 184 15 D S S S+ 0 0 91 25,-1.7 26,-0.2 -2,-0.1 -1,-0.2 0.069 86.5 109.9-125.7 22.8 -12.4 12.9 17.6 185 16 D G - 0 0 16 24,-0.8 23,-0.2 -3,-0.4 24,-0.1 -0.135 69.0-123.6 -89.0-172.8 -14.6 13.0 20.7 186 17 D T S S+ 0 0 151 21,-0.4 22,-0.1 22,-0.1 -1,-0.1 0.442 74.8 99.0-113.1 -2.8 -16.5 15.8 22.4 187 18 D K - 0 0 132 20,-1.8 2,-0.5 1,-0.0 22,-0.1 -0.263 64.8-136.6 -82.5 169.5 -15.0 15.6 25.9 188 19 D A + 0 0 103 19,-0.1 2,-0.2 20,-0.1 19,-0.2 -0.853 42.7 155.5-127.7 90.9 -12.3 17.6 27.5 189 20 D E E -G 206 0D 54 17,-2.9 17,-2.2 -2,-0.5 2,-0.5 -0.725 40.1-124.2-117.8 166.9 -10.0 15.2 29.4 190 21 D K E +G 205 0D 114 -2,-0.2 2,-0.3 15,-0.2 15,-0.2 -0.952 35.8 164.1-113.6 125.1 -6.4 15.0 30.6 191 22 D R E -G 204 0D 22 13,-2.2 13,-2.0 -2,-0.5 2,-0.4 -0.808 32.1-116.0-131.5 172.9 -4.2 12.1 29.5 192 23 D I E +GH 203 216D 10 24,-2.6 24,-2.7 -2,-0.3 2,-0.3 -0.931 27.7 179.2-116.1 138.2 -0.5 11.3 29.5 193 24 D Y E -G 202 0D 14 9,-2.6 9,-2.5 -2,-0.4 2,-0.5 -0.937 32.2-110.9-132.4 154.3 1.6 10.7 26.3 194 25 D Y E -G 201 0D 3 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.789 21.3-155.2 -90.9 123.9 5.2 9.9 25.9 195 26 D N E >> -G 200 0D 2 5,-2.9 5,-1.7 -2,-0.5 4,-1.3 -0.906 6.8-169.7 -96.4 104.9 7.3 12.7 24.3 196 27 D S T 45S+ 0 0 32 -2,-0.8 -1,-0.1 -20,-0.3 -170,-0.1 0.761 82.7 57.3 -67.8 -26.4 10.2 10.8 22.8 197 28 D A T 45S+ 0 0 34 -172,-0.2 -1,-0.2 1,-0.2 -191,-0.1 0.950 119.4 28.8 -68.1 -50.3 12.1 14.1 22.1 198 29 D R T 45S- 0 0 95 2,-0.2 -2,-0.2 -173,-0.1 -1,-0.2 0.560 103.8-132.1 -87.1 -9.1 12.1 15.2 25.7 199 30 D K T <5 + 0 0 121 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.929 67.3 110.1 55.3 50.2 12.1 11.6 26.9 200 31 D Q E S- 0 0 135 1,-0.1 4,-1.5 -26,-0.1 3,-0.5 -0.966 72.7-141.1-126.6 136.9 -1.7 7.4 34.7 219 50 D T H > S+ 0 0 66 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.886 103.9 55.0 -58.9 -40.2 1.7 9.0 34.4 220 51 D Y H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.827 102.7 53.9 -66.5 -32.2 3.3 6.0 36.0 221 52 D D H > S+ 0 0 2 -3,-0.5 4,-1.2 1,-0.2 -147,-0.5 0.862 109.0 51.5 -68.1 -35.6 1.9 3.5 33.4 222 53 D h H X S+ 0 0 0 -4,-1.5 4,-3.1 1,-0.2 5,-0.4 0.921 108.2 52.2 -65.6 -43.9 3.4 5.7 30.7 223 54 D Q H X S+ 0 0 75 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.883 110.7 43.3 -64.5 -43.1 6.8 5.7 32.4 224 55 D R H < S+ 0 0 73 -4,-1.9 -1,-0.2 -150,-0.2 -2,-0.2 0.789 118.1 47.8 -75.3 -21.7 7.2 1.9 32.8 225 56 D T H < S+ 0 0 11 -4,-1.2 -2,-0.2 -5,-0.2 -3,-0.2 0.940 130.2 16.7 -79.6 -45.4 5.9 1.4 29.2 226 57 D g H < 0 0 2 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.732 360.0 360.0-104.5 -27.1 8.1 4.1 27.6 227 58 D L < 0 0 94 -4,-2.2 -27,-0.0 -5,-0.4 -28,-0.0 -0.704 360.0 360.0 -88.7 360.0 11.0 5.1 29.7 228 !* 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 0.0 229 3 E R 0 0 214 0, 0.0 54,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 114.2 29.5 22.3 26.5 230 4 E P > - 0 0 59 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.393 360.0-123.0 -66.5 143.1 29.2 18.9 24.9 231 5 E S G > S+ 0 0 100 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.756 106.2 74.8 -56.3 -28.5 25.8 17.3 24.7 232 6 E L G > S+ 0 0 46 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.785 83.8 67.9 -56.5 -28.1 27.1 14.3 26.7 233 7 E i G < S+ 0 0 3 -3,-1.9 20,-0.4 1,-0.3 -1,-0.3 0.814 97.2 52.2 -63.6 -30.0 27.0 16.5 29.8 234 8 E D G < S+ 0 0 108 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.446 85.6 110.1 -87.0 -0.2 23.2 16.5 29.6 235 9 E L S < S- 0 0 57 -3,-1.5 16,-0.1 -4,-0.3 18,-0.1 -0.506 74.5-111.9 -76.4 143.1 23.0 12.7 29.4 236 10 E P - 0 0 92 0, 0.0 35,-0.2 0, 0.0 2,-0.2 -0.315 40.4 -90.2 -69.6 157.6 21.6 10.9 32.5 237 11 E A - 0 0 43 13,-0.1 2,-0.4 31,-0.1 35,-0.1 -0.504 47.4-163.4 -66.9 133.7 23.8 8.7 34.6 238 12 E D - 0 0 75 33,-0.3 31,-0.4 -2,-0.2 23,-0.0 -0.968 18.8-158.2-128.7 120.6 23.6 5.2 33.2 239 13 E S - 0 0 58 -2,-0.4 25,-2.7 1,-0.2 27,-0.4 0.695 38.3-145.5 -68.0 -20.0 24.8 2.1 35.1 240 14 E G - 0 0 28 1,-0.2 27,-0.3 23,-0.2 -1,-0.2 -0.337 24.5 -74.6 87.0-168.4 25.3 0.0 32.0 241 15 E S S S+ 0 0 86 25,-1.5 26,-0.2 -2,-0.1 -1,-0.2 0.091 87.4 109.8-121.1 20.6 24.8 -3.7 31.4 242 16 E G - 0 0 18 24,-0.8 23,-0.2 -3,-0.4 22,-0.1 -0.141 67.2-127.6 -88.1-173.3 27.8 -5.2 33.1 243 17 E T S S+ 0 0 151 21,-0.5 22,-0.1 -2,-0.0 2,-0.1 0.354 71.8 103.5-117.7 3.4 28.2 -7.3 36.3 244 18 E K - 0 0 129 20,-2.2 2,-0.5 1,-0.0 22,-0.1 -0.340 64.7-135.7 -84.1 166.0 30.9 -5.2 38.1 245 19 E A + 0 0 95 19,-0.1 2,-0.3 -2,-0.1 19,-0.2 -0.889 46.5 149.1-122.5 91.2 30.4 -2.8 41.0 246 20 E E E -I 263 0E 51 17,-2.6 17,-2.4 -2,-0.5 2,-0.4 -0.778 42.3-123.7-122.5 169.9 32.4 0.3 40.2 247 21 E K E +I 262 0E 112 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.949 32.2 166.6-117.3 131.7 32.3 4.0 40.8 248 22 E R E -I 261 0E 30 13,-2.2 13,-1.4 -2,-0.4 2,-0.4 -0.859 30.2-115.9-134.0 171.7 32.4 6.6 38.0 249 23 E I E +IJ 260 273E 7 24,-3.0 24,-2.5 -2,-0.3 2,-0.3 -0.874 28.3 176.4-113.7 145.2 31.7 10.3 37.7 250 24 E Y E -I 259 0E 39 9,-2.4 9,-1.9 -2,-0.4 2,-0.5 -0.970 32.4-110.7-141.5 154.2 28.9 12.0 35.7 251 25 E Y E -I 258 0E 7 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.774 20.4-152.6 -92.2 127.4 27.9 15.6 35.3 252 26 E N E >> -I 257 0E 36 5,-3.3 4,-1.5 -2,-0.5 5,-1.3 -0.873 4.3-164.0 -99.6 101.3 24.5 16.6 36.9 253 27 E S T 45S+ 0 0 48 -2,-0.8 -1,-0.1 -20,-0.4 -19,-0.1 0.745 86.6 52.6 -56.7 -29.4 23.3 19.5 34.9 254 28 E A T 45S+ 0 0 91 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.950 119.2 31.7 -72.9 -51.5 20.7 20.5 37.5 255 29 E R T 45S- 0 0 156 2,-0.2 -2,-0.2 -3,-0.0 -1,-0.2 0.511 102.0-134.2 -83.6 -5.0 23.2 20.6 40.5 256 30 E K T <5 + 0 0 116 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.908 65.7 115.4 49.5 47.9 25.9 21.8 38.1 257 31 E Q E > S- 0 0 154 1,-0.1 4,-1.5 -26,-0.1 3,-0.8 -0.958 73.5-139.7-121.8 135.2 38.3 11.2 37.3 276 50 E T H 3> S+ 0 0 61 -2,-0.4 4,-2.0 1,-0.2 3,-0.2 0.909 103.8 56.2 -55.1 -43.6 36.2 14.0 38.7 277 51 E Y H 3> S+ 0 0 125 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.774 101.4 54.5 -64.2 -28.4 38.5 16.6 37.2 278 52 E D H <> S+ 0 0 64 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.907 110.0 48.5 -70.1 -38.4 38.1 15.3 33.6 279 53 E j H X S+ 0 0 0 -4,-1.5 4,-2.8 -3,-0.2 5,-0.4 0.876 111.8 51.8 -65.7 -36.0 34.3 15.7 34.1 280 54 E Q H X S+ 0 0 54 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.956 109.8 44.3 -67.1 -52.7 34.9 19.2 35.4 281 55 E R H < S+ 0 0 178 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.692 120.4 45.2 -69.1 -11.5 37.1 20.5 32.6 282 56 E T H < S+ 0 0 50 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.872 129.8 16.0 -94.6 -46.6 34.6 18.9 30.1 283 57 E i H < 0 0 5 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.692 360.0 360.0-105.4 -22.1 31.2 19.9 31.6 284 58 E L < 0 0 105 -4,-2.2 -1,-0.1 -5,-0.4 -27,-0.0 -0.787 360.0 360.0 -88.4 360.0 31.8 22.8 34.1 285 !* 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 0.0 286 3 F R 0 0 277 0, 0.0 54,-0.1 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 -49.0 30.1 50.3 -0.8 287 4 F P > - 0 0 48 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.216 360.0-127.8 -58.4 145.0 29.6 49.4 2.9 288 5 F S G > S+ 0 0 94 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.688 102.5 74.0 -64.2 -22.9 32.4 47.8 4.9 289 6 F L G > S+ 0 0 48 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.823 81.7 72.0 -62.3 -28.3 30.2 44.9 6.1 290 7 F k G < S+ 0 0 5 -3,-1.4 20,-0.4 1,-0.3 -1,-0.3 0.673 94.6 53.8 -61.0 -17.8 30.5 43.5 2.5 291 8 F D G < S+ 0 0 104 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.439 84.0 112.4 -97.4 -2.4 34.1 42.5 3.3 292 9 F L S < S- 0 0 67 -3,-2.1 18,-0.1 -4,-0.2 16,-0.1 -0.432 71.4-112.4 -73.4 145.5 33.2 40.6 6.5 293 10 F P - 0 0 96 0, 0.0 35,-0.2 0, 0.0 2,-0.1 -0.298 40.7 -88.8 -72.9 160.6 33.7 36.8 6.5 294 11 F A - 0 0 44 13,-0.1 2,-0.4 31,-0.1 35,-0.1 -0.490 47.3-163.9 -66.8 138.8 30.8 34.4 6.6 295 12 F D - 0 0 72 33,-0.3 31,-0.4 -2,-0.1 23,-0.1 -0.895 19.5-162.4-136.6 109.3 30.0 33.7 10.3 296 13 F S - 0 0 58 -2,-0.4 25,-3.1 1,-0.2 27,-0.4 0.789 40.7-147.9 -54.4 -35.6 27.7 30.8 11.4 297 14 F G - 0 0 29 23,-0.2 27,-0.3 1,-0.2 -1,-0.2 -0.532 23.3 -70.0 101.3-164.9 27.2 32.4 14.8 298 15 F S S S+ 0 0 85 25,-2.0 26,-0.2 -2,-0.2 -1,-0.2 0.379 89.9 102.5-115.5 1.1 26.6 31.1 18.3 299 16 F G - 0 0 18 24,-1.0 23,-0.2 -3,-0.3 22,-0.1 0.173 68.0-127.4 -77.5-167.9 23.1 29.6 18.0 300 17 F T + 0 0 86 21,-0.5 22,-0.1 20,-0.0 2,-0.1 0.261 69.7 105.7-125.3 5.5 21.6 26.1 17.7 301 18 F K - 0 0 25 20,-2.2 2,-0.5 -297,-0.0 22,-0.1 -0.394 63.8-134.7 -84.5 165.3 19.4 26.4 14.6 302 19 F A + 0 0 29 -252,-0.4 2,-0.3 -2,-0.1 19,-0.2 -0.930 48.7 138.8-122.8 97.4 20.2 25.0 11.2 303 20 F E E -K 320 0F 12 17,-1.3 17,-1.6 -2,-0.5 2,-0.4 -0.801 45.7-123.9-131.1 177.4 19.4 27.7 8.7 304 21 F K E +K 319 0F 80 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.992 27.7 177.1-129.7 131.6 20.8 29.2 5.5 305 22 F R E -K 318 0F 11 13,-2.5 13,-2.1 -2,-0.4 2,-0.4 -0.842 26.8-114.8-128.7 168.8 21.7 32.9 5.0 306 23 F I E +KL 317 330F 7 24,-3.3 24,-2.1 -2,-0.3 2,-0.3 -0.898 31.8 173.3-109.4 133.3 23.3 35.0 2.2 307 24 F Y E -K 316 0F 34 9,-2.6 9,-2.6 -2,-0.4 2,-0.6 -0.937 34.5-109.6-133.7 154.9 26.6 36.8 2.6 308 25 F Y E -K 315 0F 26 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.767 20.3-160.7 -90.2 122.4 28.7 38.7 0.1 309 26 F N E >> -K 314 0F 35 5,-2.4 5,-1.7 -2,-0.6 4,-0.8 -0.905 7.6-173.1 -99.4 98.7 31.9 36.9 -0.9 310 27 F S T 45S+ 0 0 61 -2,-0.9 -1,-0.2 -20,-0.4 -19,-0.1 0.801 80.9 59.9 -65.4 -31.0 33.9 39.9 -2.3 311 28 F A T 45S+ 0 0 96 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.952 116.4 33.3 -60.9 -46.6 36.7 37.7 -3.5 312 29 F R T 45S- 0 0 138 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.517 105.1-133.8 -86.6 -5.2 34.2 35.8 -5.8 313 30 F K T <5 + 0 0 155 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.842 68.8 100.9 51.5 42.8 32.2 39.0 -6.3 314 31 F Q E S- 0 0 160 1,-0.1 4,-1.4 -26,-0.1 3,-0.4 -0.877 74.0-140.7-110.8 136.3 17.2 37.5 0.7 333 50 F T H > S+ 0 0 66 -2,-0.4 4,-1.7 1,-0.2 3,-0.2 0.889 101.8 57.8 -57.9 -39.7 19.8 37.2 -2.0 334 51 F Y H > S+ 0 0 135 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.857 101.3 53.2 -63.4 -36.9 18.6 40.5 -3.6 335 52 F D H > S+ 0 0 74 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.881 107.3 53.4 -65.1 -35.1 19.2 42.6 -0.5 336 53 F l H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.2 5,-0.4 0.878 111.7 46.5 -64.7 -37.0 22.8 41.2 -0.4 337 54 F Q H X S+ 0 0 62 -4,-1.7 4,-2.3 3,-0.2 -2,-0.2 0.933 109.6 50.3 -71.1 -49.4 23.1 42.4 -4.1 338 55 F R H < S+ 0 0 189 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.862 119.7 40.3 -56.6 -37.0 21.6 45.9 -3.7 339 56 F T H < S+ 0 0 49 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.895 132.4 17.7 -79.7 -43.1 23.9 46.4 -0.7 340 57 F k H < 0 0 14 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.734 360.0 360.0-109.1 -24.2 27.1 44.8 -2.0 341 58 F L < 0 0 122 -4,-2.3 -1,-0.0 -5,-0.4 -27,-0.0 -0.649 360.0 360.0 -83.3 360.0 27.1 44.4 -5.8