==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-AUG-98 1BSN . COMPND 2 MOLECULE: PROTEIN (EPSILON SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.WILKENS,R.A.CAPALDI . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 29.0 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 15 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 1 3 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 . 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 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 A 0 0 143 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.7 -23.6 0.5 10.4 2 2 A M + 0 0 126 1,-0.0 2,-0.4 53,-0.0 35,-0.0 0.187 360.0 93.1-149.2 18.1 -19.8 -0.2 9.9 3 3 A T + 0 0 88 32,-0.1 18,-0.2 33,-0.0 2,-0.2 -0.961 44.3 165.5-121.1 130.3 -19.4 -1.4 6.2 4 4 A Y E -A 20 0A 18 16,-2.9 16,-3.7 -2,-0.4 2,-0.5 -0.700 35.4-104.6-130.3-176.8 -18.7 0.8 3.2 5 5 A H E -Ab 19 75A 62 69,-2.1 71,-2.1 14,-0.3 2,-0.4 -0.948 32.8-178.2-116.9 127.4 -17.6 0.5 -0.4 6 6 A L E -Ab 18 76A 1 12,-1.7 12,-1.6 -2,-0.5 2,-0.5 -0.971 9.6-163.1-126.6 139.1 -14.0 1.4 -1.5 7 7 A D E +Ab 17 77A 43 69,-3.0 71,-2.7 -2,-0.4 2,-0.5 -0.964 10.6 174.6-123.3 120.8 -12.5 1.4 -5.0 8 8 A V E +Ab 16 78A 4 8,-2.8 7,-1.5 -2,-0.5 8,-1.2 -0.914 9.0 163.9-128.7 108.0 -8.7 1.4 -5.5 9 9 A V E -Ab 14 79A 38 69,-1.8 71,-2.1 -2,-0.5 2,-0.5 -0.939 21.1-155.1-124.4 146.9 -7.3 1.0 -9.1 10 10 A S E - b 0 80A 2 3,-0.7 2,-0.7 -2,-0.4 71,-0.3 -0.975 63.8 -48.9-123.3 124.9 -3.8 1.8 -10.5 11 11 A A S S- 0 0 82 69,-2.1 2,-0.1 -2,-0.5 70,-0.1 -0.292 128.8 -13.4 52.0 -97.7 -3.3 2.6 -14.2 12 12 A E S S+ 0 0 188 -2,-0.7 2,-0.3 69,-0.2 -1,-0.2 -0.506 113.9 87.3-131.9 67.7 -5.3 -0.4 -15.7 13 13 A Q - 0 0 91 -3,-0.1 -3,-0.7 -2,-0.1 2,-0.7 -0.996 66.3-121.8-160.4 155.2 -6.0 -2.9 -12.8 14 14 A Q E +A 9 0A 145 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.855 32.0 162.7-103.8 107.9 -8.4 -3.8 -10.0 15 15 A M E S- 0 0 7 -7,-1.5 2,-0.3 -2,-0.7 -1,-0.2 0.904 77.2 -15.1 -88.7 -47.0 -6.8 -3.9 -6.6 16 16 A F E +A 8 0A 23 -8,-1.2 -8,-2.8 2,-0.0 -1,-0.3 -0.857 66.9 160.5-159.3 117.5 -10.0 -3.7 -4.5 17 17 A S E +A 7 0A 65 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.721 49.8 42.0-144.2 91.5 -13.5 -2.6 -5.7 18 18 A G E S-A 6 0A 25 -12,-1.6 -12,-1.7 -2,-0.3 2,-0.2 -0.946 94.4 -10.1 170.6-149.2 -16.5 -3.6 -3.6 19 19 A L E +A 5 0A 89 -2,-0.3 36,-1.4 -14,-0.2 2,-0.3 -0.568 60.9 171.7 -79.9 139.9 -17.8 -3.8 0.1 20 20 A V E -AC 4 54A 0 -16,-3.7 -16,-2.9 34,-0.3 34,-0.2 -0.994 29.7-161.0-147.1 152.6 -15.2 -3.3 2.9 21 21 A E E S- 0 0 63 32,-2.7 2,-0.3 -2,-0.3 33,-0.2 0.847 77.4 -11.9-100.2 -51.2 -15.1 -2.9 6.7 22 22 A K E - C 0 53A 89 31,-1.2 31,-3.5 13,-0.2 2,-0.4 -0.962 54.7-163.4-155.1 135.3 -11.7 -1.3 7.4 23 23 A I E -DC 34 52A 6 11,-2.6 11,-2.0 -2,-0.3 2,-0.6 -0.966 7.4-156.5-122.8 134.2 -8.4 -0.7 5.4 24 24 A Q E - C 0 51A 116 27,-3.9 27,-3.1 -2,-0.4 2,-0.5 -0.920 7.4-164.2-112.6 116.6 -5.0 0.1 7.0 25 25 A V E - C 0 50A 15 -2,-0.6 2,-0.6 25,-0.3 25,-0.3 -0.856 4.3-172.6-101.4 125.5 -2.5 1.9 4.7 26 26 A T E + C 0 49A 53 23,-3.4 23,-2.1 -2,-0.5 5,-0.1 -0.906 34.8 118.9-120.6 106.6 1.2 2.0 5.9 27 27 A G S S- 0 0 29 -2,-0.6 -1,-0.1 3,-0.3 4,-0.1 0.522 77.8 -75.1-127.6 -77.7 3.5 4.2 3.8 28 28 A S S S+ 0 0 99 2,-0.3 2,-1.0 1,-0.1 3,-0.1 0.246 108.0 52.1-157.4 -61.8 5.3 7.0 5.6 29 29 A E S S+ 0 0 154 1,-0.2 -1,-0.1 2,-0.0 17,-0.1 -0.756 118.9 2.0 -95.5 99.7 3.2 10.2 6.5 30 30 A G - 0 0 50 -2,-1.0 2,-1.1 1,-0.1 -3,-0.3 0.739 62.1-143.4 93.7 100.9 0.1 9.0 8.3 31 31 A E + 0 0 138 -3,-0.1 2,-0.3 -5,-0.1 -1,-0.1 -0.255 65.9 111.6 -87.8 50.6 -0.4 5.3 9.1 32 32 A L + 0 0 110 -2,-1.1 -8,-0.1 1,-0.1 0, 0.0 -0.914 38.2 175.6-124.0 151.4 -4.2 5.5 8.5 33 33 A G - 0 0 6 -2,-0.3 2,-0.3 -10,-0.3 -9,-0.2 0.398 45.8 -58.6-117.7-105.6 -6.4 4.0 5.8 34 34 A I B +D 23 0A 4 -11,-2.0 -11,-2.6 4,-0.1 -1,-0.1 -0.998 48.6 163.6-150.0 148.7 -10.2 4.2 5.6 35 35 A Y > - 0 0 68 -2,-0.3 2,-1.8 -13,-0.2 3,-0.8 -0.943 54.4 -67.2-155.1 174.2 -13.2 3.2 7.8 36 36 A P T 3 S+ 0 0 59 0, 0.0 -33,-0.0 0, 0.0 -14,-0.0 -0.485 126.7 22.7 -71.0 83.8 -16.9 3.8 8.4 37 37 A G T 3 S+ 0 0 73 -2,-1.8 2,-0.2 2,-0.1 -35,-0.0 0.636 84.8 158.1 124.5 45.6 -16.7 7.4 9.5 38 38 A H < - 0 0 45 -3,-0.8 -4,-0.1 1,-0.1 -1,-0.1 -0.561 45.0 -95.4 -94.2 161.3 -13.4 8.8 8.2 39 39 A A - 0 0 49 -2,-0.2 2,-2.1 1,-0.1 -1,-0.1 -0.307 46.5 -91.4 -72.0 161.2 -12.6 12.5 7.6 40 40 A P + 0 0 111 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.482 55.8 179.7 -73.4 78.6 -13.1 14.2 4.2 41 41 A L + 0 0 62 -2,-2.1 30,-0.9 1,-0.1 2,-0.1 -0.732 15.1 167.8 -88.1 123.9 -9.5 13.5 2.9 42 42 A L E +E 70 0A 127 -2,-0.5 28,-0.2 28,-0.2 2,-0.2 -0.504 45.7 85.6-131.4 63.6 -8.9 14.8 -0.7 43 43 A T E S-E 69 0A 73 26,-0.5 26,-1.9 -2,-0.1 2,-0.4 -0.461 84.1 -50.9-137.2-150.4 -5.1 14.6 -1.1 44 44 A A E -E 68 0A 51 24,-0.2 24,-0.3 -2,-0.2 -2,-0.1 -0.821 48.6-125.0-101.1 135.2 -2.4 12.0 -2.2 45 45 A I E -E 67 0A 20 22,-3.7 22,-0.9 -2,-0.4 -12,-0.1 -0.342 33.1-107.6 -69.6 153.1 -2.2 8.5 -0.7 46 46 A K - 0 0 63 -16,-0.2 20,-0.3 20,-0.2 2,-0.2 -0.676 31.6-112.5 -87.9 140.4 1.1 7.5 0.9 47 47 A P S S+ 0 0 42 0, 0.0 2,-0.3 0, 0.0 18,-0.3 -0.487 75.4 71.4 -71.3 131.6 3.3 5.0 -1.0 48 48 A G E S- F 0 64A 2 16,-2.5 16,-2.1 -2,-0.2 2,-0.3 -0.979 86.0 -38.1 160.8-146.5 3.7 1.6 0.9 49 49 A M E -CF 26 63A 23 -23,-2.1 -23,-3.4 -2,-0.3 2,-0.4 -0.860 44.7-159.2-113.8 147.9 1.5 -1.4 1.7 50 50 A I E -CF 25 62A 9 12,-4.1 12,-3.3 -2,-0.3 2,-0.5 -0.981 6.6-152.2-130.0 130.9 -2.2 -1.4 2.7 51 51 A R E -CF 24 61A 103 -27,-3.1 -27,-3.9 -2,-0.4 2,-0.5 -0.848 15.8-164.5 -99.1 126.3 -4.2 -4.2 4.5 52 52 A I E -CF 23 60A 0 8,-3.8 8,-2.7 -2,-0.5 2,-0.8 -0.923 11.8-150.6-119.3 117.7 -7.9 -4.2 3.7 53 53 A V E -CF 22 59A 38 -31,-3.5 -32,-2.7 -2,-0.5 -31,-1.2 -0.701 26.9-130.1 -83.2 111.7 -10.5 -6.1 5.8 54 54 A K E -C 20 0A 81 4,-1.1 -34,-0.3 -2,-0.8 3,-0.2 -0.262 23.5-108.2 -59.9 148.6 -13.3 -7.1 3.4 55 55 A Q S S- 0 0 56 -36,-1.4 2,-0.3 1,-0.2 -35,-0.2 0.856 100.9 -12.3 -47.7 -34.6 -16.9 -6.2 4.5 56 56 A H S S+ 0 0 151 -37,-0.3 2,-0.5 2,-0.2 -1,-0.2 -0.891 120.2 39.3-168.7 134.7 -17.3 -10.0 5.1 57 57 A G S S- 0 0 58 -2,-0.3 2,-0.2 -3,-0.2 -4,-0.0 -0.894 105.2 -25.3 127.6-101.4 -15.3 -13.2 4.2 58 58 A H - 0 0 171 -2,-0.5 -4,-1.1 -5,-0.0 2,-0.3 -0.692 62.1-108.7-133.5-172.2 -11.4 -12.7 4.4 59 59 A E E -F 53 0A 60 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.841 23.5-153.7-122.7 160.7 -8.9 -9.7 4.2 60 60 A E E -F 52 0A 77 -8,-2.7 -8,-3.8 -2,-0.3 2,-0.4 -0.886 7.9-140.8-131.6 163.3 -6.3 -8.7 1.5 61 61 A F E -F 51 0A 16 -2,-0.3 25,-1.4 -10,-0.3 2,-0.3 -0.972 22.2-179.4-128.4 120.3 -3.0 -6.8 1.4 62 62 A I E -FG 50 85A 0 -12,-3.3 -12,-4.1 -2,-0.4 2,-0.4 -0.798 13.0-149.9-116.9 161.3 -2.2 -4.4 -1.5 63 63 A Y E +FG 49 84A 7 21,-3.1 21,-2.8 -2,-0.3 2,-0.3 -0.988 16.6 170.8-131.4 140.0 0.9 -2.2 -2.3 64 64 A L E -FG 48 83A 4 -16,-2.1 -16,-2.5 -2,-0.4 19,-0.2 -0.998 32.9-139.2-147.3 141.8 1.0 1.1 -4.3 65 65 A S S S- 0 0 30 17,-1.9 17,-0.1 -2,-0.3 2,-0.1 -0.042 77.7 -52.0 -92.4 36.7 3.9 3.7 -4.8 66 66 A G + 0 0 19 -20,-0.3 15,-1.1 16,-0.2 -1,-0.3 -0.246 66.0 159.6 113.7 155.9 1.5 6.7 -4.4 67 67 A G E -EH 45 80A 15 -22,-0.9 -22,-3.7 13,-0.2 2,-0.3 -0.940 41.3 -82.3 169.0 172.0 -1.8 7.9 -5.8 68 68 A I E -EH 44 79A 116 11,-2.9 11,-4.1 -24,-0.3 2,-0.3 -0.772 40.8-173.2 -98.9 143.1 -4.8 10.3 -5.3 69 69 A L E -EH 43 78A 19 -26,-1.9 -26,-0.5 -2,-0.3 2,-0.4 -0.978 8.0-166.9-136.5 149.1 -7.8 9.2 -3.0 70 70 A E E -EH 42 77A 73 7,-3.6 7,-2.2 -2,-0.3 2,-0.4 -0.996 12.7-142.6-136.3 137.7 -11.2 10.7 -2.2 71 71 A V E - H 0 76A 33 -30,-0.9 5,-0.3 -2,-0.4 -65,-0.0 -0.813 20.2-172.5-101.7 139.0 -13.7 9.9 0.6 72 72 A Q - 0 0 69 3,-3.2 2,-2.4 -2,-0.4 -2,-0.0 -0.755 42.9 -83.4-122.8 171.2 -17.5 10.0 -0.1 73 73 A P S S- 0 0 136 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.417 121.9 -4.7 -74.4 70.7 -20.6 9.6 2.1 74 74 A G S S+ 0 0 49 -2,-2.4 -69,-2.1 1,-0.3 2,-0.3 0.086 133.7 45.2 131.6 -23.7 -20.7 5.8 2.0 75 75 A N E -b 5 0A 51 -71,-0.2 -3,-3.2 -56,-0.0 -1,-0.3 -0.909 59.9-149.3-142.1 170.2 -17.8 5.0 -0.4 76 76 A V E -bH 6 71A 1 -71,-2.1 -69,-3.0 -2,-0.3 2,-0.4 -0.983 9.2-161.2-145.8 130.9 -14.1 6.0 -1.1 77 77 A T E -bH 7 70A 34 -7,-2.2 -7,-3.6 -2,-0.3 2,-0.3 -0.900 8.0-177.3-115.5 143.5 -12.2 6.0 -4.5 78 78 A V E -bH 8 69A 5 -71,-2.7 -69,-1.8 -2,-0.4 2,-0.4 -0.997 9.1-161.9-139.4 142.9 -8.4 6.1 -5.0 79 79 A L E +bH 9 68A 108 -11,-4.1 -11,-2.9 -2,-0.3 2,-0.2 -0.976 21.4 156.2-127.9 123.7 -6.3 6.3 -8.2 80 80 A A E -bH 10 67A 5 -71,-2.1 -69,-2.1 -2,-0.4 -13,-0.2 -0.740 32.1-142.5-133.9-177.6 -2.6 5.4 -8.3 81 81 A D S S+ 0 0 122 -15,-1.1 2,-0.9 -71,-0.3 -69,-0.2 0.685 82.8 53.9-114.3 -78.2 0.1 4.2 -10.9 82 82 A T S S+ 0 0 77 -16,-0.1 -17,-1.9 -17,-0.1 2,-0.4 -0.465 73.8 178.4 -64.7 102.6 2.6 1.6 -9.6 83 83 A A E +G 64 0A 20 -2,-0.9 2,-0.3 -19,-0.2 -19,-0.2 -0.889 7.2 167.2-111.4 139.6 0.2 -1.1 -8.2 84 84 A I E -G 63 0A 28 -21,-2.8 -21,-3.1 -2,-0.4 2,-0.2 -0.997 23.7-137.7-150.9 144.6 1.3 -4.5 -6.7 85 85 A R E > -G 62 0A 84 -2,-0.3 3,-1.5 -23,-0.2 -23,-0.2 -0.533 37.3-101.5 -96.5 167.0 -0.3 -7.3 -4.7 86 86 A G T 3 S+ 0 0 7 -25,-1.4 3,-0.1 1,-0.3 -24,-0.1 0.878 126.9 21.7 -56.2 -33.9 1.2 -9.1 -1.6 87 87 A Q T 3 S+ 0 0 113 1,-0.1 -1,-0.3 43,-0.1 4,-0.1 -0.409 80.1 154.2-129.5 55.2 2.0 -12.0 -4.0 88 88 A D S < S- 0 0 70 -3,-1.5 -1,-0.1 2,-0.2 -2,-0.1 0.967 75.7 -57.0 -49.1 -65.6 2.0 -10.2 -7.4 89 89 A L S S+ 0 0 159 1,-0.4 2,-0.4 -4,-0.2 -1,-0.0 0.340 118.7 47.4-145.9 -70.6 4.4 -12.6 -9.2 90 90 A D - 0 0 90 1,-0.2 -1,-0.4 2,-0.1 4,-0.2 -0.704 53.5-179.4 -87.4 130.9 7.9 -13.3 -7.7 91 91 A E S > S+ 0 0 86 -2,-0.4 3,-1.5 2,-0.1 4,-0.4 0.914 80.3 33.2 -91.3 -70.7 8.0 -14.0 -3.9 92 92 A A T >> S+ 0 0 83 1,-0.3 3,-1.6 2,-0.2 4,-0.8 0.830 107.6 71.4 -57.7 -32.4 11.6 -14.5 -2.9 93 93 A R H 3> S+ 0 0 154 1,-0.3 4,-1.8 2,-0.2 3,-0.3 0.830 80.9 74.2 -56.9 -28.9 12.8 -12.0 -5.5 94 94 A A H <> S+ 0 0 15 -3,-1.5 4,-1.4 1,-0.2 -1,-0.3 0.882 95.1 51.6 -52.8 -35.8 11.3 -9.2 -3.3 95 95 A M H <> S+ 0 0 115 -3,-1.6 4,-2.5 -4,-0.4 -1,-0.2 0.893 102.5 58.9 -69.9 -37.4 14.3 -9.7 -1.0 96 96 A E H X S+ 0 0 83 -4,-0.8 4,-2.9 -3,-0.3 5,-0.3 0.952 103.1 52.8 -57.0 -48.1 16.8 -9.4 -3.9 97 97 A A H X S+ 0 0 49 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.937 109.2 49.5 -53.5 -48.2 15.5 -5.9 -4.7 98 98 A K H X S+ 0 0 75 -4,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.960 111.2 48.6 -57.8 -51.0 16.1 -4.8 -1.0 99 99 A R H X S+ 0 0 190 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.947 114.9 45.0 -55.4 -48.4 19.7 -6.2 -1.0 100 100 A K H X S+ 0 0 134 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.882 112.9 51.6 -64.6 -35.7 20.4 -4.4 -4.3 101 101 A A H X S+ 0 0 25 -4,-2.9 4,-1.5 -5,-0.3 -2,-0.2 0.917 101.2 61.5 -68.4 -40.0 18.7 -1.2 -2.9 102 102 A E H X S+ 0 0 85 -4,-3.0 4,-0.7 1,-0.2 3,-0.5 0.921 98.9 57.7 -51.1 -45.8 20.9 -1.4 0.3 103 103 A E H >X S+ 0 0 146 -4,-1.4 3,-1.8 1,-0.2 4,-0.5 0.949 102.8 51.6 -52.0 -53.7 24.0 -1.0 -1.9 104 104 A H H 3< S+ 0 0 169 -4,-1.2 3,-0.4 1,-0.3 -1,-0.2 0.843 114.9 43.3 -56.2 -32.5 22.7 2.4 -3.4 105 105 A I H 3< S+ 0 0 34 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.437 87.9 94.0 -94.1 2.9 22.1 3.7 0.2 106 106 A S H << S+ 0 0 102 -3,-1.8 2,-0.3 -4,-0.7 -1,-0.2 0.855 98.6 5.3 -63.4 -32.0 25.5 2.3 1.5 107 107 A S S < S+ 0 0 91 -4,-0.5 2,-0.2 -3,-0.4 -1,-0.1 -0.986 74.7 105.7-150.9 161.7 27.2 5.7 0.9 108 108 A S - 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