==== 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 2Q1A . 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) . 13913.0 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 . 88 30.2 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 . 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 12.0 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+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 1 2 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 . 1 5 0 3 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 . 3 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 0.000 360.0 360.0 360.0 135.6 24.2 12.7 14.5 2 2 X K E -AB 17 195A 48 15,-1.8 15,-2.1 193,-0.2 2,-0.4 -0.973 360.0-152.0-120.6 118.0 21.1 14.5 15.7 3 3 X L E +AB 16 194A 1 191,-2.8 191,-1.6 -2,-0.5 2,-0.3 -0.719 19.7 166.0 -91.1 134.4 17.7 13.6 14.2 4 4 X F E -A 15 0A 0 11,-2.5 11,-2.5 -2,-0.4 2,-0.3 -0.910 17.4-149.5-134.5 170.7 14.7 15.8 13.9 5 5 X R E -A 14 0A 10 63,-0.5 63,-2.1 187,-0.3 2,-0.3 -1.000 4.7-163.0-141.5 139.3 11.4 15.7 11.9 6 6 X V E -AC 13 67A 0 7,-2.6 7,-2.1 -2,-0.3 2,-0.5 -0.914 16.6-136.9-117.2 148.6 9.1 18.2 10.4 7 7 X V E +AC 12 66A 32 59,-2.6 59,-1.9 -2,-0.3 2,-0.4 -0.890 27.4 179.7 -95.1 134.5 5.5 18.0 9.3 8 8 X K E > -A 11 0A 52 3,-3.1 3,-1.9 -2,-0.5 57,-0.1 -0.930 66.0 -23.9-142.9 111.6 5.0 19.9 6.0 9 9 X R T 3 S- 0 0 194 55,-0.4 3,-0.1 -2,-0.4 56,-0.1 0.871 127.4 -47.9 52.5 43.6 1.7 20.1 4.2 10 10 X G T 3 S+ 0 0 76 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.350 122.1 95.0 84.6 -6.2 0.5 16.9 5.9 11 11 X Y E < -A 8 0A 119 -3,-1.9 -3,-3.1 2,-0.0 2,-0.2 -0.874 68.9-120.8-117.9 153.4 3.6 14.8 5.2 12 12 X Y E -A 7 0A 113 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.617 20.8-174.5 -88.6 146.9 6.7 14.1 7.2 13 13 X I E -A 6 0A 11 -7,-2.1 -7,-2.6 -2,-0.2 2,-0.3 -0.979 12.4-149.7-137.0 132.7 10.4 14.8 6.4 14 14 X S E -A 5 0A 11 -2,-0.3 12,-2.1 12,-0.3 2,-0.3 -0.754 14.4-176.8-103.1 149.0 13.4 13.7 8.5 15 15 X Y E -AD 4 25A 5 -11,-2.5 -11,-2.5 -2,-0.3 2,-0.4 -0.955 11.0-154.0-141.1 155.6 16.7 15.5 8.9 16 16 X A E -AD 3 24A 0 8,-2.2 8,-2.9 -2,-0.3 2,-0.5 -0.999 7.7-147.3-136.5 135.2 20.1 15.0 10.6 17 17 X I E -AD 2 23A 16 -15,-2.1 -15,-1.8 -2,-0.4 2,-0.3 -0.883 15.5-153.2 -97.3 128.6 22.8 17.4 11.8 18 18 X L E >> - D 0 22A 53 4,-2.1 3,-1.4 -2,-0.5 4,-0.6 -0.745 38.6 -92.5 -98.0 152.3 26.3 16.2 11.7 19 19 X D T 34 S+ 0 0 142 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.716 123.0 61.0 -30.9 -45.1 29.0 17.6 14.1 20 20 X N T 34 S- 0 0 107 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.006 119.0-104.2 -81.5 29.0 30.0 20.3 11.6 21 21 X S T <4 S+ 0 0 98 -3,-1.4 2,-0.4 -2,-0.3 -2,-0.2 0.568 75.1 141.8 63.3 11.4 26.5 21.9 11.5 22 22 X T E < -D 18 0A 23 -4,-0.6 -4,-2.1 27,-0.0 2,-0.4 -0.700 44.4-137.5 -87.8 136.4 25.7 20.5 8.1 23 23 X I E -DE 17 48A 16 25,-0.6 25,-2.8 -2,-0.4 2,-0.5 -0.799 14.7-165.3 -99.4 129.9 22.1 19.3 7.5 24 24 X I E -DE 16 47A 26 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.5 -0.960 14.9-140.8-114.2 125.4 21.2 16.0 5.7 25 25 X R E -DE 15 46A 116 21,-3.0 21,-1.5 -2,-0.5 -10,-0.2 -0.754 32.8-122.0 -80.2 127.6 17.8 15.2 4.4 26 26 X L E - E 0 45A 17 -12,-2.1 -12,-0.3 -2,-0.5 19,-0.3 -0.445 21.5-164.9 -82.3 141.2 17.1 11.5 5.1 27 27 X D S S+ 0 0 113 17,-2.8 18,-0.1 -2,-0.2 -1,-0.1 0.838 74.3 54.9 -81.3 -39.8 16.3 8.8 2.4 28 28 X E S S- 0 0 49 16,-0.5 -14,-0.1 1,-0.1 -2,-0.1 -0.398 100.7 -80.0 -95.1 167.2 15.1 6.2 4.9 29 29 X D > - 0 0 89 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.432 47.3-119.0 -57.1 137.6 12.5 6.0 7.7 30 30 X P H > S+ 0 0 10 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.834 114.5 50.6 -59.7 -36.5 14.1 7.7 10.8 31 31 X I H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.926 112.4 47.5 -62.5 -45.1 13.8 4.5 12.9 32 32 X K H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 110.4 53.5 -59.3 -41.4 15.6 2.6 10.0 33 33 X A H X S+ 0 0 8 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.889 107.3 50.1 -61.6 -41.3 18.2 5.4 9.9 34 34 X L H X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.863 110.1 50.9 -65.2 -37.9 18.9 5.0 13.6 35 35 X M H X S+ 0 0 49 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.881 111.2 48.0 -66.0 -41.2 19.4 1.2 13.3 36 36 X R H >X>S+ 0 0 83 -4,-2.1 4,-1.8 2,-0.2 3,-1.1 0.927 110.5 49.9 -66.1 -46.8 21.8 1.7 10.4 37 37 X Y H 3X5S+ 0 0 33 -4,-2.3 4,-1.2 1,-0.3 -1,-0.2 0.864 103.7 61.8 -61.1 -36.7 23.9 4.3 12.2 38 38 X S H 3<5S+ 0 0 34 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.787 110.8 40.7 -55.6 -32.0 24.0 2.0 15.1 39 39 X E H <<5S- 0 0 157 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.1 0.971 140.9 -11.1 -81.8 -66.9 25.8 -0.5 12.9 40 40 X N H <5S- 0 0 94 -4,-1.8 -3,-0.2 2,-0.1 -2,-0.1 0.275 86.7-109.9-126.4 5.7 28.4 1.3 10.7 41 41 X K << + 0 0 125 -4,-1.2 2,-0.3 -5,-0.6 -4,-0.2 0.660 64.6 154.9 67.9 18.9 27.6 5.0 11.2 42 42 X E - 0 0 88 -6,-0.5 2,-0.4 -9,-0.0 -1,-0.2 -0.598 24.7-167.2 -79.3 136.5 26.2 5.2 7.6 43 43 X V - 0 0 40 -2,-0.3 2,-0.6 -7,-0.1 -10,-0.0 -0.990 8.7-148.8-127.4 123.6 23.7 7.9 6.8 44 44 X L + 0 0 56 -2,-0.4 -17,-2.8 -20,-0.1 -16,-0.5 -0.823 51.2 61.3 -99.8 119.7 21.6 7.9 3.6 45 45 X G E S-E 26 0A 29 -2,-0.6 2,-0.4 -19,-0.3 -19,-0.2 -0.986 72.4 -69.5 163.1-169.1 20.6 11.3 2.1 46 46 X D E -E 25 0A 114 -21,-1.5 -21,-3.0 -2,-0.3 2,-0.3 -0.924 39.8-112.6-119.7 142.2 21.5 14.7 0.6 47 47 X R E -E 24 0A 163 -2,-0.4 2,-0.3 -23,-0.2 -23,-0.3 -0.555 39.9-161.9 -69.3 131.4 23.1 17.7 2.2 48 48 X V E -E 23 0A 36 -25,-2.8 -25,-0.6 -2,-0.3 2,-0.3 -0.869 14.8-160.2-118.0 151.2 20.6 20.6 2.3 49 49 X T S S+ 0 0 115 -2,-0.3 3,-0.1 1,-0.1 -27,-0.0 -0.890 73.3 46.1-118.2 155.5 20.8 24.4 2.7 50 50 X G S S+ 0 0 81 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.554 74.8 115.9 88.4 7.1 17.9 26.6 3.7 51 51 X I - 0 0 35 -3,-0.1 2,-1.3 -28,-0.0 -1,-0.2 -0.932 54.4-157.7-105.2 104.4 16.7 24.4 6.6 52 52 X D > + 0 0 83 -2,-0.7 4,-1.8 1,-0.2 3,-0.2 -0.663 15.9 177.3 -91.2 88.1 17.4 26.7 9.6 53 53 X Y H > S+ 0 0 27 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.894 78.5 52.7 -58.9 -46.1 17.6 24.2 12.5 54 54 X Q H > S+ 0 0 123 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.864 110.1 48.8 -60.3 -39.2 18.4 26.9 15.1 55 55 X S H > S+ 0 0 42 2,-0.2 4,-3.3 -3,-0.2 5,-0.4 0.827 107.7 55.3 -68.7 -34.2 15.3 28.9 14.1 56 56 X L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.915 106.3 51.4 -63.1 -43.5 13.2 25.7 14.3 57 57 X L H < S+ 0 0 34 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.872 120.3 34.5 -58.0 -41.6 14.3 25.2 17.9 58 58 X K H < S+ 0 0 180 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.894 132.7 24.3 -81.2 -43.9 13.3 28.8 18.8 59 59 X S H < S- 0 0 77 -4,-3.3 2,-2.3 -5,-0.1 -3,-0.2 0.498 79.8-146.6-109.3 -8.9 10.3 29.4 16.6 60 60 X F S < S+ 0 0 54 -4,-2.2 7,-2.2 -5,-0.4 2,-0.4 -0.111 79.0 53.5 70.5 -41.9 8.9 25.9 15.9 61 61 X Q E +F 66 0A 103 -2,-2.3 2,-0.3 5,-0.2 5,-0.2 -0.975 52.9 172.4-126.5 138.1 7.7 27.0 12.4 62 62 X I E > S-F 65 0A 47 3,-2.0 3,-2.2 -2,-0.4 2,-0.1 -0.960 70.5 -40.8-139.1 129.5 9.4 28.7 9.5 63 63 X N T 3 S- 0 0 150 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.363 125.0 -22.7 53.0-122.7 7.5 29.1 6.2 64 64 X D T 3 S+ 0 0 67 -2,-0.1 -55,-0.4 -3,-0.1 2,-0.4 0.123 116.7 92.6-108.8 22.3 5.6 25.8 5.7 65 65 X I E < - F 0 62A 13 -3,-2.2 -3,-2.0 -57,-0.1 2,-0.4 -0.949 48.9-174.3-114.5 136.8 7.7 23.5 7.9 66 66 X R E -CF 7 61A 79 -59,-1.9 -59,-2.6 -2,-0.4 -5,-0.2 -0.995 23.1-126.1-129.7 128.4 7.0 22.7 11.6 67 67 X I E +C 6 0A 0 -7,-2.2 -61,-0.2 -2,-0.4 2,-0.2 -0.372 41.5 153.3 -67.4 147.9 9.1 20.6 14.0 68 68 X T - 0 0 5 -63,-2.1 -63,-0.5 124,-0.2 59,-0.3 -0.723 51.5 -21.6-150.8-163.5 7.4 17.7 15.8 69 69 X K - 0 0 19 -2,-0.2 122,-0.1 57,-0.2 57,-0.1 -0.373 56.6-137.3 -51.3 127.7 8.1 14.3 17.4 70 70 X P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.769 80.9 3.9 -66.4 -24.3 11.4 13.1 15.8 71 71 X I S S- 0 0 0 -66,-0.1 -66,-0.1 -41,-0.1 178,-0.0 -0.937 72.3-112.4-143.7 168.4 9.9 9.6 15.5 72 72 X D - 0 0 62 -2,-0.3 50,-0.1 -3,-0.0 -41,-0.1 -0.912 34.8-152.4 -98.5 102.8 6.7 7.6 16.0 73 73 X P - 0 0 0 0, 0.0 177,-0.2 0, 0.0 176,-0.1 -0.662 6.7-147.7 -78.6 123.3 7.7 5.3 18.9 74 74 X P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 176,-0.1 0.856 83.3 9.2 -59.8 -33.3 5.5 2.1 18.6 75 75 X E - 0 0 53 45,-0.2 176,-2.0 172,-0.2 2,-0.4 -0.983 64.8-156.4-141.6 149.6 5.5 1.9 22.4 76 76 X V E -Gh 119 251A 0 43,-1.8 42,-2.4 -2,-0.3 43,-1.6 -0.998 15.3-175.3-126.6 128.8 6.7 4.1 25.3 77 77 X W E -Gh 117 252A 41 174,-2.9 176,-2.9 -2,-0.4 2,-0.3 -0.928 9.4-147.6-122.7 150.3 7.6 2.6 28.7 78 78 X G E -Gh 116 253A 0 38,-2.6 38,-2.2 -2,-0.3 2,-0.4 -0.793 2.5-148.4-114.0 155.9 8.6 4.2 31.9 79 79 X S E -G 115 0A 3 174,-1.8 2,-0.3 -2,-0.3 36,-0.2 -0.930 20.5-145.2-118.0 147.3 10.9 3.3 34.8 80 80 X G E +G 114 0A 12 34,-1.5 34,-0.8 -2,-0.4 175,-0.0 -0.889 60.2 3.8-121.8 146.9 10.1 4.4 38.4 81 81 X I + 0 0 11 -2,-0.3 -1,-0.2 175,-0.1 33,-0.1 0.934 66.8 147.5 56.1 60.2 12.1 5.4 41.5 82 82 X S + 0 0 0 174,-0.3 148,-2.0 -3,-0.2 149,-1.3 0.298 50.0 72.1-108.3 7.1 15.6 5.4 40.0 83 83 X Y B > S-M 229 0B 5 173,-0.3 3,-0.8 146,-0.2 4,-0.3 -0.895 84.8-116.1-122.9 155.2 17.1 8.2 42.1 84 84 X E G > S+ 0 0 108 144,-0.9 3,-1.1 -2,-0.3 4,-0.2 0.890 114.9 46.3 -53.9 -47.6 18.1 8.4 45.8 85 85 X M G > S+ 0 0 69 1,-0.2 3,-2.2 2,-0.1 -1,-0.2 0.693 90.2 85.6 -71.0 -20.4 15.6 11.1 46.7 86 86 X A G X S+ 0 0 6 -3,-0.8 3,-1.5 1,-0.3 -1,-0.2 0.607 70.5 76.4 -62.5 -14.4 12.8 9.3 44.8 87 87 X R G < S+ 0 0 106 -3,-1.1 -1,-0.3 -4,-0.3 18,-0.2 0.868 93.7 54.3 -55.9 -37.3 12.1 7.2 48.0 88 88 X E G < S+ 0 0 118 -3,-2.2 2,-0.8 -4,-0.2 3,-0.4 0.314 70.2 136.6 -84.8 5.3 10.4 10.4 49.3 89 89 X R S < S- 0 0 20 -3,-1.5 15,-0.1 1,-0.2 16,-0.1 -0.438 92.2 -4.8 -55.3 100.6 8.1 10.6 46.2 90 90 X Y S S+ 0 0 47 -2,-0.8 -1,-0.2 14,-0.0 14,-0.1 0.967 78.5 176.3 61.5 89.5 5.0 11.5 48.3 91 91 X S + 0 0 73 -3,-0.4 4,-0.1 2,-0.0 -2,-0.1 0.730 42.7 108.5 -88.6 -28.3 6.3 11.2 51.9 92 92 X E S > S- 0 0 117 -4,-0.2 3,-0.8 1,-0.1 0, 0.0 -0.167 81.7 -93.1 -56.1 141.2 3.1 12.3 53.5 93 93 X E T 3 S+ 0 0 136 1,-0.2 -1,-0.1 2,-0.0 3,-0.1 -0.100 105.1 66.4 -50.1 155.7 0.9 9.8 55.4 94 94 X N T 3 S+ 0 0 142 1,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.103 73.3 131.7 101.7 -14.6 -1.9 8.1 53.4 95 95 X V < - 0 0 12 -3,-0.8 -1,-0.4 -4,-0.1 2,-0.2 -0.362 67.9-103.0 -63.1 146.5 0.8 6.4 51.2 96 96 X A - 0 0 36 -3,-0.1 7,-2.1 76,-0.1 2,-0.4 -0.550 46.5-169.8 -70.6 134.7 0.4 2.7 50.6 97 97 X K E -N 102 0C 98 5,-0.3 2,-0.7 -2,-0.2 5,-0.3 -0.986 27.3-143.1-137.1 143.0 2.8 0.7 52.7 98 98 X I E > S-N 101 0C 84 3,-3.4 3,-1.5 -2,-0.4 -2,-0.0 -0.907 90.5 -29.6-100.8 106.0 4.0 -3.0 53.0 99 99 X L T 3 S- 0 0 170 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.927 128.5 -41.5 46.2 57.7 4.5 -3.7 56.8 100 100 X G T 3 S+ 0 0 61 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.091 122.1 100.2 87.2 -24.0 5.3 -0.0 57.7 101 101 X K E < S-N 98 0C 88 -3,-1.5 -3,-3.4 1,-0.0 -1,-0.2 -0.819 75.9-117.3 -98.6 133.5 7.5 0.6 54.7 102 102 X T E > -N 97 0C 14 -2,-0.4 4,-2.9 -5,-0.3 -5,-0.3 -0.317 19.8-115.6 -72.0 153.0 6.0 2.5 51.7 103 103 X I H > S+ 0 0 49 -7,-2.1 4,-2.0 1,-0.2 5,-0.1 0.836 118.2 46.3 -53.5 -39.3 5.7 1.0 48.3 104 104 X Y H > S+ 0 0 15 -8,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.861 111.8 51.3 -72.2 -38.5 8.1 3.5 46.8 105 105 X E H > S+ 0 0 66 -18,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.926 112.1 47.3 -62.6 -46.9 10.6 2.9 49.6 106 106 X K H >X S+ 0 0 111 -4,-2.9 4,-2.1 1,-0.2 3,-0.6 0.905 111.4 48.9 -61.6 -46.6 10.4 -0.9 49.1 107 107 X V H 3< S+ 0 0 33 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.738 99.8 66.9 -70.8 -25.1 10.9 -0.7 45.3 108 108 X Y H 3< S+ 0 0 35 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 114.7 28.7 -60.8 -39.7 13.9 1.6 45.6 109 109 X D H << S+ 0 0 108 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.842 97.5 107.0 -87.4 -40.1 15.9 -1.2 47.2 110 110 X A S < S- 0 0 39 -4,-2.1 -3,-0.0 1,-0.1 -4,-0.0 0.040 76.0-122.1 -49.9 145.2 14.3 -4.3 45.7 111 111 X V S S+ 0 0 122 1,-0.1 -1,-0.1 2,-0.0 -4,-0.0 0.887 100.2 67.8 -51.9 -43.7 16.1 -6.4 43.1 112 112 X R S S- 0 0 152 1,-0.0 -2,-0.1 127,-0.0 2,-0.1 -0.719 79.9-148.1 -85.4 119.1 13.2 -5.8 40.7 113 113 X P - 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