==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAR-12 4EAM . COMPND 2 MOLECULE: BETA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; . AUTHOR S.LOVELL,K.P.BATTAILE,K.DECKERT,L.C.BRUNNER,S.J.BUDIARDJO, . 967 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 694 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 67 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.6 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 4 4 0 2 1 4 1 2 2 0 4 0 2 2 2 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 4 2 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 PARALLEL BRIDGES PER LADDER . 8 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 0 0 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 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 M 0 0 109 0, 0.0 2,-0.5 0, 0.0 467,-0.2 0.000 360.0 360.0 360.0 161.2 19.9 -39.1 -0.9 2 2 A Y E -A 467 0A 66 465,-2.5 465,-2.3 2,-0.0 2,-0.3 -0.958 360.0-162.4-123.0 110.7 17.0 -41.5 -1.2 3 3 A S E -A 466 0A 63 -2,-0.5 463,-0.2 463,-0.2 462,-0.1 -0.648 5.3-144.4 -98.2 149.5 13.7 -39.8 -0.5 4 4 A F - 0 0 16 461,-2.5 402,-0.0 -2,-0.3 -1,-0.0 -0.687 36.9 -80.1-107.3 159.6 10.4 -41.4 0.4 5 5 A P > - 0 0 59 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.238 43.2-114.2 -54.8 150.4 6.9 -40.3 -0.6 6 6 A N T 3 S+ 0 0 177 1,-0.3 -2,-0.0 -3,-0.1 459,-0.0 0.807 117.1 49.5 -58.3 -31.2 5.5 -37.5 1.6 7 7 A S T 3 S+ 0 0 91 2,-0.1 -1,-0.3 410,-0.0 2,-0.2 0.497 84.2 112.9 -87.3 -5.8 2.8 -39.8 3.0 8 8 A F < - 0 0 17 -3,-1.8 2,-0.4 457,-0.1 409,-0.2 -0.488 55.5-150.3 -70.0 134.6 5.3 -42.6 3.9 9 9 A R E -b 417 0B 86 407,-1.7 409,-2.0 -2,-0.2 2,-0.4 -0.914 9.6-154.0-115.2 133.0 5.6 -43.2 7.6 10 10 A F E +b 418 0B 6 -2,-0.4 66,-3.0 64,-0.3 67,-0.7 -0.851 40.7 123.3 -96.7 136.8 8.6 -44.5 9.7 11 11 A G E -bc 419 77B 0 407,-2.8 409,-2.2 -2,-0.4 2,-0.3 -0.657 46.4 -96.0-159.9-151.0 7.7 -46.2 13.0 12 12 A W E -bc 420 78B 0 65,-1.3 67,-2.0 407,-0.3 2,-0.3 -0.968 14.7-142.0-150.7 160.4 7.9 -49.3 15.2 13 13 A S E + c 0 79B 0 407,-1.9 409,-0.5 -2,-0.3 410,-0.5 -0.935 22.3 168.6-122.3 150.7 6.1 -52.4 16.1 14 14 A Q - 0 0 3 65,-2.1 2,-0.3 -2,-0.3 67,-0.2 -0.974 25.0-125.5-155.7 165.7 5.8 -54.1 19.5 15 15 A A > - 0 0 1 -2,-0.3 4,-1.6 65,-0.2 5,-0.3 -0.874 13.8-134.7-116.6 146.4 3.9 -56.8 21.3 16 16 A G H > S+ 0 0 3 -2,-0.3 4,-2.9 1,-0.2 5,-0.4 0.952 104.6 47.2 -64.5 -53.4 1.9 -56.6 24.5 17 17 A F H 4 S+ 0 0 4 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.839 117.7 45.3 -55.7 -32.2 3.2 -59.9 26.2 18 18 A Q H 4 S+ 0 0 5 1,-0.1 409,-2.5 2,-0.1 -1,-0.2 0.729 128.8 18.7 -90.8 -23.0 6.8 -58.9 25.3 19 19 A S H < S+ 0 0 1 -4,-1.6 40,-2.7 -3,-0.4 41,-0.2 0.658 105.1 73.1-120.4 -21.8 6.7 -55.2 26.4 20 20 A E S < S+ 0 0 3 -4,-2.9 40,-2.3 -5,-0.3 41,-0.5 0.871 80.9 74.6 -71.2 -42.4 3.9 -54.5 28.7 21 21 A M + 0 0 3 -5,-0.4 37,-2.5 -4,-0.3 38,-0.3 -0.353 57.1 76.8 -81.2 155.1 5.0 -56.1 32.0 22 22 A G S S+ 0 0 17 1,-0.6 -1,-0.2 35,-0.2 32,-0.1 0.129 72.2 86.7 138.6 -17.0 7.6 -54.9 34.4 23 23 A T S > S- 0 0 21 -3,-0.4 3,-1.9 1,-0.1 -1,-0.6 -0.727 94.1 -75.0-102.3 156.3 6.0 -52.0 36.4 24 24 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.263 117.2 11.8 -53.4 132.2 3.9 -52.6 39.5 25 25 A G T 3 S+ 0 0 80 -3,-0.0 -4,-0.0 1,-0.0 0, 0.0 0.424 98.6 104.6 83.4 2.2 0.4 -53.9 38.8 26 26 A S < + 0 0 3 -3,-1.9 34,-0.0 28,-0.1 33,-0.0 0.575 42.4 121.9 -91.9 -10.6 1.2 -54.7 35.2 27 27 A E - 0 0 87 -4,-0.3 27,-0.0 27,-0.1 28,-0.0 -0.301 42.0-165.3 -61.4 133.2 1.5 -58.5 35.4 28 28 A D + 0 0 7 1,-0.1 3,-0.5 -11,-0.1 6,-0.1 -0.869 15.1 169.1-112.5 96.6 -0.9 -60.6 33.2 29 29 A P + 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.328 54.5 86.3 -86.4 11.4 -0.7 -64.1 34.6 30 30 A N + 0 0 65 4,-0.1 124,-2.8 5,-0.0 125,-0.3 0.203 64.7 93.4-110.3 17.4 -3.6 -65.5 32.6 31 31 A T B > S-K 153 0C 1 -3,-0.5 4,-2.0 122,-0.3 5,-0.2 -0.652 76.4-121.0-103.7 160.2 -2.3 -66.6 29.2 32 32 A D H > S+ 0 0 4 120,-2.6 4,-2.8 -2,-0.2 5,-0.2 0.903 116.4 56.8 -55.1 -41.4 -1.0 -69.8 27.8 33 33 A G H > S+ 0 0 0 119,-0.3 4,-2.3 1,-0.2 5,-0.2 0.901 104.7 49.5 -60.1 -44.2 2.2 -68.0 27.2 34 34 A Y H > S+ 0 0 33 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.943 113.3 45.9 -61.6 -47.1 2.6 -67.0 30.8 35 35 A K H >X S+ 0 0 73 -4,-2.0 4,-0.8 1,-0.2 3,-0.5 0.943 111.9 54.0 -60.7 -45.3 2.0 -70.6 31.9 36 36 A W H >< S+ 0 0 1 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.907 109.8 43.7 -56.2 -48.1 4.4 -71.9 29.3 37 37 A V H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 13,-0.2 0.666 115.7 48.6 -82.3 -12.0 7.4 -69.8 30.2 38 38 A H H << S+ 0 0 50 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.472 81.9 123.0 -94.8 -4.4 6.9 -70.4 34.0 39 39 A D S+ 0 0 100 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.874 97.7 48.8 -62.3 -38.9 9.2 -76.1 35.7 41 41 A E H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 6,-0.3 0.925 110.4 50.5 -67.0 -44.8 9.6 -78.9 33.1 42 42 A N H 4>S+ 0 0 1 1,-0.2 5,-1.8 2,-0.2 6,-1.1 0.894 112.4 48.9 -58.8 -39.5 10.0 -76.5 30.2 43 43 A M H ><5S+ 0 0 68 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.933 110.5 48.9 -63.2 -48.1 12.7 -74.7 32.2 44 44 A A H 3<5S+ 0 0 93 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.842 110.9 50.9 -60.2 -34.4 14.5 -77.9 33.2 45 45 A A T 3<5S- 0 0 71 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.567 110.9-123.5 -77.7 -10.7 14.5 -79.0 29.5 46 46 A G T < 5S+ 0 0 60 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.665 74.2 130.7 69.9 19.2 15.9 -75.7 28.5 47 47 A L S - 0 0 38 -2,-0.2 3,-2.0 -3,-0.1 -18,-0.1 -0.931 10.8-135.4-124.0 138.8 10.1 -64.2 33.1 53 53 A P G > S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 374,-0.1 0.755 98.8 72.1 -68.8 -23.8 8.0 -61.6 31.2 54 54 A E G 3 S+ 0 0 36 1,-0.3 -32,-0.1 -32,-0.1 -28,-0.1 0.561 92.2 59.1 -66.4 -7.8 6.9 -59.8 34.4 55 55 A N G < S+ 0 0 90 -3,-2.0 -1,-0.3 -34,-0.1 -33,-0.1 0.082 90.4 123.5-101.5 22.9 10.4 -58.5 34.7 56 56 A G S < S- 0 0 0 -3,-1.7 -37,-0.1 -33,-0.1 370,-0.1 0.285 81.2 -71.5 -77.1-163.9 10.1 -56.8 31.4 57 57 A P - 0 0 0 0, 0.0 -35,-0.2 0, 0.0 -37,-0.1 0.566 60.3-127.2 -79.8 -8.9 10.5 -53.2 30.1 58 58 A G >> + 0 0 0 -37,-2.5 4,-2.6 -39,-0.1 3,-0.7 0.804 48.4 157.2 78.5 32.8 7.3 -52.0 31.7 59 59 A Y H 3> + 0 0 6 -40,-2.7 4,-1.2 -38,-0.3 -39,-0.2 0.801 69.9 67.8 -58.8 -32.0 5.3 -50.3 28.8 60 60 A W H 34 S+ 0 0 28 -40,-2.3 -1,-0.2 -41,-0.2 -39,-0.1 0.913 118.1 21.9 -56.4 -43.6 2.1 -50.8 30.8 61 61 A G H <4 S+ 0 0 39 -3,-0.7 3,-0.3 -41,-0.5 -2,-0.2 0.778 131.5 41.9 -91.5 -28.4 3.3 -48.2 33.3 62 62 A N H >X + 0 0 54 -4,-2.6 4,-1.5 -42,-0.2 3,-1.1 0.137 69.5 122.5-112.4 17.8 5.9 -46.3 31.3 63 63 A Y H 3X + 0 0 24 -4,-1.2 4,-3.0 1,-0.3 5,-0.2 0.824 69.9 61.8 -53.3 -36.9 4.2 -45.9 27.9 64 64 A K H 3> S+ 0 0 116 -3,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.908 105.2 48.0 -58.7 -37.9 4.4 -42.1 28.0 65 65 A T H <> S+ 0 0 68 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.882 110.5 50.6 -69.9 -38.4 8.2 -42.4 28.1 66 66 A F H X S+ 0 0 2 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.958 114.7 44.6 -59.1 -48.8 8.2 -44.9 25.2 67 67 A H H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.876 108.6 56.6 -68.2 -37.8 6.1 -42.5 23.3 68 68 A D H X S+ 0 0 58 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.938 110.6 44.9 -52.5 -52.8 8.1 -39.4 24.2 69 69 A N H X S+ 0 0 24 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.897 111.9 51.6 -63.5 -41.7 11.2 -41.1 22.8 70 70 A A H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-0.4 0.931 110.8 48.9 -59.5 -43.4 9.4 -42.2 19.7 71 71 A Q H ><5S+ 0 0 95 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.929 110.6 49.8 -63.7 -44.7 8.2 -38.6 19.1 72 72 A K H 3<5S+ 0 0 134 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.790 106.3 57.5 -63.6 -26.6 11.7 -37.2 19.6 73 73 A M T 3<5S- 0 0 0 -4,-1.6 390,-0.3 -3,-0.2 -1,-0.3 0.500 117.3-114.9 -82.5 -4.8 12.9 -39.8 17.1 74 74 A G T < 5 + 0 0 13 -3,-1.6 -64,-0.3 -4,-0.4 -3,-0.2 0.638 57.8 161.3 82.4 14.7 10.5 -38.4 14.5 75 75 A L < - 0 0 3 -5,-2.1 -64,-0.2 1,-0.1 -1,-0.2 -0.397 20.4-177.7 -72.7 146.3 8.4 -41.6 14.3 76 76 A K + 0 0 105 -66,-3.0 66,-2.5 1,-0.2 2,-0.3 0.251 60.4 46.2-130.1 6.8 4.9 -41.2 12.7 77 77 A I E -cd 11 142B 0 -67,-0.7 -65,-1.3 64,-0.3 2,-0.4 -0.994 54.0-174.3-154.0 142.8 3.4 -44.7 13.0 78 78 A A E -cd 12 143B 0 64,-2.4 66,-2.8 -2,-0.3 2,-0.5 -0.999 10.9-157.8-138.1 143.4 3.1 -47.5 15.6 79 79 A R E +cd 13 144B 0 -67,-2.0 -65,-2.1 -2,-0.4 2,-0.3 -0.988 29.1 154.2-118.7 121.7 1.7 -51.0 15.5 80 80 A L E - d 0 145B 4 64,-1.7 66,-2.9 -2,-0.5 2,-0.3 -0.867 28.0-134.9-134.0 164.2 0.7 -52.5 18.8 81 81 A N E - d 0 146B 4 -2,-0.3 2,-0.4 -67,-0.2 66,-0.2 -0.887 11.0-128.6-121.2 161.5 -1.7 -55.1 20.1 82 82 A V - 0 0 0 64,-1.1 2,-0.7 -2,-0.3 67,-0.1 -0.864 32.0-122.8 -94.0 136.7 -4.3 -55.5 22.8 83 83 A E >> - 0 0 3 -2,-0.4 3,-1.3 1,-0.2 4,-1.2 -0.783 11.9-151.4 -86.2 114.3 -3.8 -58.7 24.8 84 84 A W H 3> S+ 0 0 3 -2,-0.7 4,-2.6 63,-0.3 3,-0.4 0.855 95.4 59.5 -48.1 -46.1 -7.0 -60.8 24.7 85 85 A S H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 67,-0.1 0.794 101.5 53.3 -57.7 -34.2 -6.2 -62.2 28.1 86 86 A R H <4 S+ 0 0 18 -3,-1.3 39,-0.3 1,-0.2 -1,-0.2 0.852 112.9 43.8 -69.4 -34.6 -6.3 -58.7 29.7 87 87 A I H < S+ 0 0 0 -4,-1.2 35,-2.5 -3,-0.4 -2,-0.2 0.894 129.8 24.0 -78.6 -40.7 -9.7 -58.0 28.3 88 88 A F < + 0 0 1 -4,-2.6 -1,-0.3 33,-0.2 -2,-0.1 -0.714 66.5 159.8-126.2 78.0 -11.2 -61.4 29.2 89 89 A P + 0 0 35 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.656 69.2 49.0 -73.9 -17.2 -9.2 -62.9 32.1 90 90 A N S S- 0 0 119 30,-0.3 -60,-0.0 -3,-0.1 30,-0.0 -0.806 102.9 -82.2-119.9 163.2 -12.1 -65.2 33.0 91 91 A P - 0 0 84 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.240 37.5-130.0 -72.6 154.5 -14.0 -67.5 30.6 92 92 A L - 0 0 13 1,-0.1 25,-0.0 -4,-0.1 89,-0.0 -0.625 35.0 -86.8 -93.3 156.8 -17.0 -66.5 28.4 93 93 A P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.304 50.8-108.2 -55.0 143.0 -20.4 -68.2 28.1 94 94 A R 0 0 82 1,-0.1 83,-0.0 -3,-0.1 0, 0.0 -0.415 360.0 360.0 -73.1 151.3 -20.5 -71.0 25.6 95 95 A P 0 0 58 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.892 360.0 360.0 -92.8 360.0 -22.3 -70.5 22.3 96 ! 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 97 98 A F 0 0 102 0, 0.0 2,-0.7 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 121.4 -22.3 -73.2 17.9 98 99 A D > - 0 0 89 1,-0.1 3,-1.8 -3,-0.1 78,-0.0 -0.902 360.0-163.5-110.0 105.3 -21.3 -76.8 17.0 99 100 A E T 3 S+ 0 0 64 -2,-0.7 77,-0.4 1,-0.3 -1,-0.1 0.769 88.5 60.1 -59.5 -27.9 -17.8 -77.7 18.1 100 101 A S T 3 S+ 0 0 103 76,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.588 78.0 104.1 -81.5 -11.7 -17.7 -80.8 15.8 101 102 A K < - 0 0 84 -3,-1.8 75,-0.1 1,-0.2 -3,-0.0 -0.634 59.1-159.4 -68.7 121.0 -18.3 -78.7 12.7 102 103 A Q S S+ 0 0 138 -2,-0.5 2,-0.4 1,-0.1 -1,-0.2 0.881 72.8 59.5 -68.5 -42.3 -14.9 -78.5 11.0 103 104 A D - 0 0 60 137,-0.0 2,-0.7 2,-0.0 -1,-0.1 -0.792 62.6-162.8 -96.8 132.7 -15.7 -75.3 8.9 104 105 A V + 0 0 18 -2,-0.4 3,-0.1 1,-0.1 140,-0.1 -0.922 20.7 163.7-111.8 100.0 -16.7 -72.0 10.5 105 106 A T + 0 0 79 -2,-0.7 2,-0.3 1,-0.3 -1,-0.1 0.609 63.3 17.7 -97.1 -13.5 -18.3 -70.1 7.7 106 107 A E - 0 0 91 2,-0.0 2,-0.4 141,-0.0 -1,-0.3 -0.984 48.8-170.7-158.0 141.6 -20.0 -67.4 9.7 107 108 A V - 0 0 16 -2,-0.3 2,-0.1 137,-0.1 -3,-0.0 -0.888 30.9-134.2-134.6 106.9 -19.8 -65.9 13.2 108 109 A E - 0 0 133 -2,-0.4 2,-0.4 1,-0.0 140,-0.0 -0.345 20.7-171.2 -69.5 132.5 -22.8 -63.6 13.9 109 110 A I + 0 0 32 -2,-0.1 2,-0.3 4,-0.0 3,-0.0 -0.994 15.8 158.2-121.2 126.9 -22.0 -60.2 15.5 110 111 A N > - 0 0 59 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.942 52.2-100.0-143.3 169.7 -24.8 -58.0 16.6 111 112 A E H > S+ 0 0 121 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.907 119.4 49.4 -57.2 -46.0 -25.4 -55.2 19.1 112 113 A N H > S+ 0 0 100 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 111.6 49.7 -64.4 -39.0 -26.9 -57.3 21.8 113 114 A E H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.915 111.3 49.4 -64.3 -40.8 -24.0 -59.8 21.6 114 115 A L H X S+ 0 0 6 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.899 110.5 49.9 -63.4 -40.8 -21.5 -57.0 21.8 115 116 A K H X S+ 0 0 88 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.811 111.4 49.3 -70.4 -29.3 -23.3 -55.5 24.8 116 117 A R H >X S+ 0 0 113 -4,-1.9 3,-1.2 -5,-0.2 4,-0.6 0.916 108.9 51.8 -73.3 -42.8 -23.3 -58.9 26.6 117 118 A L H >X S+ 0 0 9 -4,-2.6 3,-1.6 1,-0.3 4,-0.6 0.903 102.0 63.0 -56.8 -40.2 -19.6 -59.4 25.9 118 119 A D H >< S+ 0 0 35 -4,-1.9 3,-0.6 1,-0.3 -1,-0.3 0.763 92.1 63.3 -56.9 -29.7 -19.1 -56.0 27.4 119 120 A E H << S+ 0 0 113 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.763 107.4 43.3 -66.2 -27.5 -20.4 -57.3 30.8 120 121 A Y H << S+ 0 0 113 -3,-1.6 -30,-0.3 -4,-0.6 -1,-0.2 0.492 91.1 107.8 -97.3 -5.3 -17.5 -59.8 31.0 121 122 A A S << S- 0 0 9 -4,-0.6 2,-1.0 -3,-0.6 -33,-0.2 -0.468 77.0-114.4 -80.0 145.5 -14.7 -57.4 29.8 122 123 A N > - 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