==== 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 LYASE 24-MAY-07 2Q1C . COMPND 2 MOLECULE: 2-KETO-3-DEOXY-D-ARABINONATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR T.BARENDS,S.BROUNS,P.WORM,J.AKERBOOM,A.TURNBULL,L.SALMON . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 29.6 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 27 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 2 3 3 1 1 3 2 1 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 . 2 0 1 0 0 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 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 X M 0 0 5 0, 0.0 195,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 128.3 24.2 12.9 14.4 2 2 X K E -AB 17 195A 45 15,-2.6 15,-3.1 193,-0.2 2,-0.4 -0.965 360.0-153.8-117.1 119.7 21.2 14.8 15.8 3 3 X L E +AB 16 194A 0 191,-2.4 191,-2.1 -2,-0.5 2,-0.3 -0.777 19.3 165.0-108.4 130.9 17.9 13.7 14.3 4 4 X F E -A 15 0A 0 11,-3.1 11,-3.1 -2,-0.4 2,-0.3 -0.953 19.0-146.3-139.7 159.6 14.7 15.7 13.9 5 5 X R E -A 14 0A 11 63,-0.4 63,-1.9 187,-0.4 2,-0.3 -0.941 8.2-166.0-126.7 146.8 11.4 15.6 11.9 6 6 X V E -AC 13 67A 0 7,-2.7 7,-2.4 -2,-0.3 2,-0.5 -0.939 17.1-134.1-126.2 154.0 9.1 18.2 10.4 7 7 X V E +AC 12 66A 33 59,-2.8 59,-1.8 -2,-0.3 2,-0.4 -0.924 25.7 179.8-104.7 132.6 5.5 18.1 9.1 8 8 X K E > -AC 11 65A 50 3,-3.3 3,-1.8 -2,-0.5 57,-0.1 -0.931 65.4 -27.2-141.3 110.5 5.0 19.9 5.7 9 9 X R T 3 S- 0 0 189 55,-0.5 3,-0.1 -2,-0.4 56,-0.1 0.857 127.4 -44.4 53.1 42.6 1.6 20.1 3.9 10 10 X G T 3 S+ 0 0 78 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.172 123.0 91.3 93.8 -17.5 0.4 16.8 5.5 11 11 X Y E < -A 8 0A 119 -3,-1.8 -3,-3.3 2,-0.0 2,-0.2 -0.825 69.5-120.8-115.7 153.1 3.6 14.8 5.0 12 12 X Y E -A 7 0A 111 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.596 19.8-173.6 -87.6 146.7 6.7 14.1 7.1 13 13 X I E -A 6 0A 10 -7,-2.4 -7,-2.7 -2,-0.2 2,-0.4 -0.983 12.7-149.9-135.9 132.8 10.3 14.9 6.3 14 14 X S E -A 5 0A 12 -2,-0.3 12,-2.7 12,-0.3 2,-0.3 -0.863 13.6-173.7-106.9 134.3 13.3 13.8 8.5 15 15 X Y E -AD 4 25A 5 -11,-3.1 -11,-3.1 -2,-0.4 2,-0.4 -0.942 11.5-153.2-125.6 146.7 16.5 15.7 8.8 16 16 X A E -AD 3 24A 0 8,-3.5 8,-3.9 -2,-0.3 2,-0.5 -0.972 7.2-155.7-118.5 132.1 19.8 15.0 10.5 17 17 X I E -AD 2 23A 19 -15,-3.1 -15,-2.6 -2,-0.4 6,-0.2 -0.920 11.4-150.8-106.2 131.6 22.2 17.7 11.8 18 18 X L > - 0 0 52 4,-2.7 3,-1.6 -2,-0.5 0, 0.0 -0.447 32.0 -99.8 -93.2 170.1 25.9 16.9 12.2 19 19 X D T 3 S+ 0 0 122 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.766 121.3 58.7 -62.7 -28.4 28.5 18.4 14.6 20 20 X N T 3 S- 0 0 110 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.081 121.0-106.7 -89.2 22.7 29.9 20.8 11.9 21 21 X S S < S+ 0 0 90 -3,-1.6 2,-0.2 1,-0.2 -2,-0.1 0.302 73.9 141.8 73.7 -7.4 26.4 22.3 11.4 22 22 X T - 0 0 20 -5,-0.1 -4,-2.7 1,-0.0 2,-0.5 -0.477 41.5-145.7 -68.4 132.0 25.8 20.5 8.1 23 23 X I E -D 17 0A 18 25,-0.5 25,-2.9 -6,-0.2 2,-0.5 -0.881 11.1-162.8-107.7 129.1 22.2 19.4 7.7 24 24 X I E -DE 16 47A 29 -8,-3.9 -8,-3.5 -2,-0.5 2,-0.5 -0.943 13.6-140.5-115.0 126.8 21.3 16.2 5.8 25 25 X R E -DE 15 46A 110 21,-2.8 21,-1.2 -2,-0.5 -10,-0.2 -0.741 32.3-123.4 -81.3 128.4 17.8 15.3 4.5 26 26 X L E - E 0 45A 17 -12,-2.7 -12,-0.3 -2,-0.5 19,-0.2 -0.449 20.8-165.1 -82.7 144.4 17.2 11.6 5.1 27 27 X D S S+ 0 0 115 17,-2.4 18,-0.1 -2,-0.2 -1,-0.1 0.830 73.7 54.7 -86.5 -40.9 16.3 9.0 2.5 28 28 X E S S- 0 0 44 16,-0.5 -14,-0.2 1,-0.1 -2,-0.1 -0.232 101.2 -77.4 -89.5 174.4 15.1 6.2 4.9 29 29 X D > - 0 0 96 1,-0.1 4,-2.9 -2,-0.1 5,-0.2 -0.545 46.3-120.7 -65.0 137.1 12.6 6.0 7.7 30 30 X P H > S+ 0 0 10 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.846 113.8 47.2 -54.5 -39.8 14.1 7.7 10.8 31 31 X I H > S+ 0 0 23 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.910 114.5 47.2 -66.5 -43.8 13.8 4.5 12.9 32 32 X K H > S+ 0 0 105 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.856 111.5 53.0 -61.8 -36.4 15.4 2.5 10.1 33 33 X A H X S+ 0 0 11 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.832 106.8 50.5 -69.6 -35.8 18.0 5.3 9.8 34 34 X L H X S+ 0 0 1 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.839 108.2 53.1 -70.1 -35.7 18.9 5.1 13.5 35 35 X M H X S+ 0 0 38 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.822 110.0 49.3 -67.1 -34.2 19.3 1.3 13.2 36 36 X R H >X>S+ 0 0 60 -4,-1.3 4,-2.1 2,-0.2 3,-1.3 0.960 109.5 48.8 -67.9 -54.3 21.7 1.8 10.3 37 37 X Y H 3X5S+ 0 0 37 -4,-2.1 4,-0.9 1,-0.3 -2,-0.2 0.781 106.3 60.3 -57.5 -29.2 23.9 4.4 12.1 38 38 X S H 3<5S+ 0 0 35 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.815 111.0 39.2 -67.3 -32.3 24.0 2.0 15.1 39 39 X E H <<5S- 0 0 151 -3,-1.3 -2,-0.2 -4,-0.8 -1,-0.2 0.879 143.2 -8.4 -86.0 -44.4 25.7 -0.7 13.0 40 40 X N H <5S- 0 0 91 -4,-2.1 -3,-0.2 2,-0.1 -2,-0.2 0.324 85.4-113.3-142.2 5.0 28.2 1.3 10.8 41 41 X K << + 0 0 132 -4,-0.9 2,-0.4 -5,-0.6 -4,-0.2 0.763 64.0 150.8 61.5 29.8 27.5 5.1 11.2 42 42 X E - 0 0 88 -6,-0.4 2,-0.4 -9,-0.1 -1,-0.2 -0.762 29.0-163.7 -95.7 136.8 26.3 5.4 7.6 43 43 X V - 0 0 47 -2,-0.4 2,-0.6 -7,-0.1 -9,-0.0 -0.982 7.4-149.5-123.9 126.0 23.7 8.1 6.7 44 44 X L + 0 0 59 -2,-0.4 -17,-2.4 -20,-0.1 -16,-0.5 -0.843 52.8 59.0 -99.9 119.8 21.7 8.0 3.5 45 45 X G E S-E 26 0A 29 -2,-0.6 2,-0.4 -19,-0.2 -19,-0.2 -0.962 73.7 -68.5 157.9-172.9 20.6 11.4 2.0 46 46 X D E -E 25 0A 117 -21,-1.2 -21,-2.8 -2,-0.3 2,-0.2 -0.889 40.1-111.4-116.6 143.7 21.6 14.8 0.6 47 47 X R E -E 24 0A 164 -2,-0.4 2,-0.4 -23,-0.2 -23,-0.3 -0.529 40.2-155.0 -67.9 132.7 23.1 17.9 2.3 48 48 X V - 0 0 37 -25,-2.9 -25,-0.5 -2,-0.2 2,-0.3 -0.924 13.2-161.3-120.6 139.3 20.5 20.7 2.3 49 49 X T S S+ 0 0 118 -2,-0.4 3,-0.1 1,-0.1 -27,-0.0 -0.731 72.9 42.5-105.1 161.6 20.7 24.4 2.5 50 50 X G S S+ 0 0 83 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.578 76.7 120.5 79.2 9.5 17.9 26.8 3.6 51 51 X I - 0 0 32 -3,-0.2 2,-1.3 -28,-0.1 -1,-0.2 -0.915 50.8-158.5-104.3 104.5 16.8 24.6 6.5 52 52 X D > + 0 0 85 -2,-0.7 4,-1.8 1,-0.2 3,-0.1 -0.668 16.0 175.7 -90.6 88.7 17.2 26.9 9.5 53 53 X Y H > S+ 0 0 22 -2,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.880 78.8 52.7 -59.3 -43.9 17.4 24.4 12.4 54 54 X Q H > S+ 0 0 105 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.867 109.8 48.7 -61.9 -39.5 18.1 27.1 15.1 55 55 X S H >>S+ 0 0 37 1,-0.2 4,-3.5 2,-0.2 5,-0.7 0.834 106.4 57.8 -68.7 -33.8 15.0 29.0 14.0 56 56 X L H <5S+ 0 0 0 -4,-1.8 4,-0.4 1,-0.2 11,-0.2 0.866 103.5 52.7 -63.4 -38.8 12.9 25.8 14.1 57 57 X L H <5S+ 0 0 34 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.838 121.4 31.7 -63.7 -35.4 13.8 25.4 17.8 58 58 X K H <5S+ 0 0 158 -4,-1.1 -2,-0.2 -5,-0.1 -3,-0.1 0.891 133.1 23.6 -89.7 -46.4 12.6 28.9 18.6 59 59 X S T <5S- 0 0 75 -4,-3.5 2,-0.2 -5,-0.1 -3,-0.2 0.822 81.1-156.8-101.6 -41.2 9.8 29.7 16.2 60 60 X F S -F 65 0A 43 3,-2.0 3,-2.2 -2,-0.2 2,-0.6 -0.899 64.2 -53.5-148.9 124.4 8.9 28.7 9.6 63 63 X N T 3 S- 0 0 165 -2,-0.3 -2,-0.0 1,-0.3 3,-0.0 -0.271 125.6 -6.2 49.9 -95.7 7.2 29.2 6.2 64 64 X D T 3 S+ 0 0 73 -2,-0.6 -55,-0.5 -56,-0.1 2,-0.3 0.616 119.7 73.0-106.6 -21.8 6.0 25.7 5.1 65 65 X I E < -CF 8 62A 17 -3,-2.2 -3,-2.0 -57,-0.1 2,-0.4 -0.788 49.7-170.2-114.6 142.5 7.5 23.4 7.8 66 66 X R E -CF 7 61A 82 -59,-1.8 -59,-2.8 -2,-0.3 -5,-0.4 -0.992 24.1-126.1-131.5 126.7 6.8 22.7 11.5 67 67 X I E +C 6 0A 0 -7,-3.7 -61,-0.2 -2,-0.4 2,-0.2 -0.333 42.4 151.1 -64.3 148.3 9.0 20.7 13.9 68 68 X T - 0 0 4 -63,-1.9 -63,-0.4 124,-0.2 59,-0.4 -0.687 51.9 -17.3-151.1-157.3 7.3 17.8 15.7 69 69 X K - 0 0 18 -2,-0.2 122,-0.1 57,-0.2 57,-0.1 -0.441 56.2-139.9 -56.9 125.7 8.0 14.3 17.2 70 70 X P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.853 81.7 5.3 -60.6 -36.6 11.4 13.2 15.7 71 71 X I S S- 0 0 0 -66,-0.1 -66,-0.1 -41,-0.1 178,-0.0 -0.856 72.9-115.0-133.2 173.0 10.0 9.6 15.4 72 72 X D - 0 0 58 -2,-0.3 50,-0.1 50,-0.0 -41,-0.1 -0.875 34.5-154.1-106.2 94.9 6.8 7.7 15.9 73 73 X P - 0 0 0 0, 0.0 177,-0.2 0, 0.0 176,-0.1 -0.574 7.5-148.6 -75.2 121.8 7.7 5.3 18.7 74 74 X P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 176,-0.1 0.825 83.5 12.6 -60.8 -31.9 5.5 2.2 18.5 75 75 X E - 0 0 53 45,-0.2 176,-1.9 174,-0.1 2,-0.5 -0.995 65.0-156.7-144.3 139.0 5.5 1.9 22.3 76 76 X V E -Gh 119 251A 0 43,-2.3 42,-2.6 -2,-0.3 43,-1.8 -0.982 17.6-174.2-117.2 122.7 6.6 4.2 25.1 77 77 X W E -Gh 117 252A 39 174,-2.9 176,-2.3 -2,-0.5 2,-0.3 -0.844 9.0-146.8-116.2 154.0 7.6 2.6 28.4 78 78 X G E -Gh 116 253A 0 38,-3.7 38,-2.9 -2,-0.3 2,-0.5 -0.894 4.2-153.7-123.7 151.1 8.5 4.2 31.7 79 79 X S E -G 115 0A 2 174,-2.0 2,-0.2 -2,-0.3 3,-0.2 -0.987 21.0-149.8-125.6 122.0 10.9 3.3 34.6 80 80 X G E +G 114 0A 12 34,-1.1 34,-0.8 -2,-0.5 175,-0.0 -0.640 59.3 6.5-101.8 150.8 10.1 4.5 38.1 81 81 X I + 0 0 13 -2,-0.2 -1,-0.2 175,-0.1 33,-0.1 0.948 67.1 142.4 51.6 66.9 12.1 5.5 41.2 82 82 X S + 0 0 1 174,-0.3 148,-2.1 -3,-0.2 149,-1.5 0.334 51.4 77.1-111.8 1.3 15.6 5.2 39.8 83 83 X Y B > S-M 229 0B 1 173,-0.3 3,-1.3 146,-0.2 4,-0.2 -0.748 87.5 -91.6-115.9 158.5 17.0 8.2 41.7 84 84 X E T 3 S+ 0 0 84 144,-1.4 -2,-0.1 -2,-0.3 -1,-0.1 -0.332 110.9 10.5 -56.6 144.7 18.2 9.2 45.2 85 85 X M T > S+ 0 0 113 1,-0.2 3,-0.7 -4,-0.1 -1,-0.2 0.565 90.5 117.6 57.9 9.7 15.5 10.6 47.5 86 86 X A G X + 0 0 21 -3,-1.3 3,-0.9 1,-0.2 -1,-0.2 0.592 58.2 79.5 -76.7 -11.0 12.8 9.6 44.9 87 87 X R G 3 S+ 0 0 96 1,-0.3 18,-0.3 -4,-0.2 -1,-0.2 0.770 75.0 72.6 -62.9 -30.7 11.5 7.3 47.7 88 88 X E G X + 0 0 105 -3,-0.7 2,-0.8 16,-0.1 3,-0.6 0.172 62.2 151.8 -77.1 19.5 9.8 10.3 49.3 89 89 X R T < S- 0 0 36 -3,-0.9 15,-0.1 1,-0.2 16,-0.1 -0.371 83.4 -13.3 -56.1 96.9 7.1 10.3 46.5 90 90 X Y T 3 S- 0 0 67 -2,-0.8 -1,-0.2 1,-0.1 5,-0.1 0.994 74.5-165.1 62.0 82.4 4.3 11.8 48.5 91 91 X S < + 0 0 78 -3,-0.6 -2,-0.1 3,-0.1 -1,-0.1 0.398 42.7 130.9 -77.2 2.1 5.6 11.5 52.1 92 92 X E S S- 0 0 124 -4,-0.1 2,-0.8 2,-0.1 3,-0.4 -0.213 71.4 -79.4 -59.8 145.3 2.1 12.1 53.6 93 93 X E S S+ 0 0 162 1,-0.3 -1,-0.1 0, 0.0 -2,-0.1 -0.807 109.0 16.1 -93.3 107.7 0.8 9.8 56.3 94 94 X N + 0 0 118 -2,-0.8 -1,-0.3 1,-0.2 2,-0.1 0.536 62.7 145.4-132.9 158.7 -0.1 7.6 54.7 95 95 X V S S- 0 0 21 -3,-0.4 2,-0.4 1,-0.1 -1,-0.2 -0.229 73.0 -46.1 -94.2-164.1 0.4 6.3 51.2 96 96 X A + 0 0 31 -2,-0.1 7,-2.7 76,-0.0 2,-0.4 -0.566 67.8 177.1 -72.5 120.9 0.5 2.6 50.2 97 97 X K E -N 102 0C 99 -2,-0.4 2,-0.6 5,-0.3 5,-0.3 -0.991 22.4-156.6-134.6 130.6 2.8 0.7 52.6 98 98 X I E > S-N 101 0C 79 3,-2.2 3,-1.4 -2,-0.4 -2,-0.0 -0.921 84.4 -14.9-105.4 118.2 3.7 -3.0 52.9 99 99 X L T 3 S- 0 0 173 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.813 128.6 -54.3 57.7 36.1 4.9 -4.1 56.4 100 100 X G T 3 S+ 0 0 52 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.130 120.2 102.4 89.9 -20.7 5.4 -0.5 57.5 101 101 X K E < S-N 98 0C 81 -3,-1.4 -3,-2.2 1,-0.0 -1,-0.2 -0.812 77.7-113.0 -97.0 136.6 7.7 0.4 54.6 102 102 X T E > -N 97 0C 15 -2,-0.4 4,-1.4 -5,-0.3 3,-0.3 -0.344 19.7-119.7 -72.1 148.9 6.2 2.4 51.7 103 103 X I H > S+ 0 0 40 -7,-2.7 4,-1.6 1,-0.2 -6,-0.1 0.790 111.9 53.2 -58.0 -31.5 5.8 0.8 48.2 104 104 X Y H > S+ 0 0 16 -8,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.881 109.7 45.2 -74.4 -40.5 8.0 3.4 46.6 105 105 X E H > S+ 0 0 56 -3,-0.3 4,-0.8 -18,-0.3 -1,-0.2 0.646 108.7 60.4 -79.0 -14.5 11.0 2.9 49.0 106 106 X K H X S+ 0 0 89 -4,-1.4 4,-2.8 2,-0.2 3,-0.5 0.933 105.8 45.3 -68.1 -50.7 10.5 -0.9 48.6 107 107 X V H < S+ 0 0 37 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.827 105.7 61.1 -64.5 -35.6 11.1 -0.7 44.8 108 108 X Y H < S+ 0 0 47 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.861 116.9 31.9 -57.3 -37.9 14.1 1.6 45.4 109 109 X D H < S+ 0 0 87 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.834 100.3 98.0 -87.1 -39.2 15.7 -1.3 47.4 110 110 X A S < S- 0 0 43 -4,-2.8 -3,-0.0 2,-0.1 -4,-0.0 -0.051 76.3-124.5 -60.4 152.1 14.3 -4.3 45.6 111 111 X V S S+ 0 0 123 2,-0.1 -1,-0.1 1,-0.0 -4,-0.0 0.913 98.7 66.4 -58.4 -46.1 16.1 -6.3 42.9 112 112 X R S S- 0 0 151 1,-0.0 -2,-0.1 127,-0.0 -1,-0.0 -0.701 80.9-147.8 -83.2 120.3 13.3 -5.9 40.5 113 113 X P - 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