==== 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 ELECTRON TRANSPORT 31-MAR-10 3ME7 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR V.N.MALASHKEVICH,R.TORO,J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW Y . 327 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 14.1 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 . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 22.6 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 1 0 0 0 0 0 3 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 7 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 2 A S > 0 0 56 0, 0.0 3,-2.0 0, 0.0 137,-0.3 0.000 360.0 360.0 360.0 130.7 -1.3 13.2 0.1 2 3 A L T 3 + 0 0 100 1,-0.2 137,-0.2 137,-0.1 3,-0.1 -0.302 360.0 19.5 -54.9 132.5 -3.5 15.8 -1.4 3 4 A G T 3 S+ 0 0 35 135,-2.7 -1,-0.2 1,-0.4 2,-0.2 0.229 97.5 111.2 93.7 -14.1 -5.8 14.4 -4.1 4 5 A T < - 0 0 59 -3,-2.0 134,-3.1 107,-0.1 -1,-0.4 -0.550 66.1-115.5 -91.4 163.5 -5.5 10.8 -3.1 5 6 A Y B -A 137 0A 130 132,-0.2 132,-0.2 -2,-0.2 131,-0.1 -0.770 10.5-128.4-104.3 139.8 -8.4 8.8 -1.7 6 7 A V - 0 0 2 130,-2.6 102,-0.1 -2,-0.4 101,-0.0 -0.757 46.9-100.9 -78.6 125.7 -8.8 7.3 1.8 7 8 A P > - 0 0 44 0, 0.0 3,-1.0 0, 0.0 15,-0.2 -0.235 27.2-148.5 -53.0 130.0 -9.9 3.6 1.2 8 9 A G T 3 S+ 0 0 16 1,-0.2 15,-2.6 14,-0.1 16,-0.3 0.686 88.7 66.6 -77.1 -18.8 -13.6 3.3 1.6 9 10 A D T 3 + 0 0 78 13,-0.2 -1,-0.2 12,-0.2 2,-0.2 0.454 67.9 124.8 -86.4 1.1 -13.5 -0.3 2.9 10 11 A I < - 0 0 0 -3,-1.0 12,-2.5 94,-0.1 2,-0.5 -0.428 58.2-137.2 -56.9 127.4 -11.7 0.7 6.1 11 12 A T E -B 21 0B 28 10,-0.2 89,-2.7 -2,-0.2 90,-0.3 -0.827 24.6-177.6 -96.1 125.1 -13.8 -0.6 9.0 12 13 A L E -BC 20 99B 4 8,-3.0 8,-2.5 -2,-0.5 2,-0.4 -0.814 15.3-150.8-114.7 157.3 -14.3 1.7 12.0 13 14 A V E -BC 19 98B 9 85,-2.5 85,-2.3 -2,-0.3 6,-0.2 -0.995 16.3-141.9-131.0 121.4 -16.1 1.2 15.3 14 15 A D E > - C 0 97B 8 4,-2.5 3,-2.2 -2,-0.4 83,-0.2 -0.195 35.0 -92.6 -77.9 175.7 -17.6 4.1 17.1 15 16 A S T 3 S+ 0 0 7 81,-1.3 66,-0.1 1,-0.3 82,-0.1 0.576 126.3 56.2 -71.2 -8.8 -17.7 4.7 20.9 16 17 A Y T 3 S- 0 0 122 75,-0.2 -1,-0.3 80,-0.2 3,-0.1 0.415 122.3-105.0 -94.2 -2.3 -21.1 3.0 21.1 17 18 A G < + 0 0 34 -3,-2.2 2,-0.5 1,-0.3 -2,-0.1 0.499 69.8 150.5 88.5 6.8 -19.7 -0.2 19.4 18 19 A N - 0 0 94 -5,-0.0 -4,-2.5 1,-0.0 2,-0.4 -0.614 35.0-148.4 -73.1 121.6 -21.4 0.6 16.1 19 20 A E E +B 13 0B 109 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.729 28.3 152.7 -93.5 138.5 -19.4 -0.8 13.2 20 21 A F E -B 12 0B 27 -8,-2.5 -8,-3.0 -2,-0.4 2,-0.3 -0.977 39.9-112.2-154.6 163.6 -19.3 0.9 9.8 21 22 A Q E > -B 11 0B 69 -2,-0.3 3,-2.3 -10,-0.2 4,-0.3 -0.778 30.3-119.2 -99.6 148.0 -17.1 1.3 6.7 22 23 A L G > S+ 0 0 2 -12,-2.5 3,-2.2 -2,-0.3 -13,-0.2 0.876 113.3 64.8 -52.7 -37.3 -15.6 4.7 5.9 23 24 A K G > S+ 0 0 96 -15,-2.6 3,-1.7 1,-0.3 -1,-0.3 0.734 86.7 72.4 -56.4 -23.7 -17.6 4.6 2.6 24 25 A N G < S+ 0 0 99 -3,-2.3 -1,-0.3 -16,-0.3 -2,-0.2 0.671 92.3 56.9 -68.7 -15.0 -20.8 4.7 4.7 25 26 A L G X S+ 0 0 7 -3,-2.2 3,-0.8 -4,-0.3 -1,-0.3 0.378 78.9 124.8 -96.0 0.4 -20.0 8.4 5.4 26 27 A K T < + 0 0 99 -3,-1.7 109,-0.2 1,-0.2 -3,-0.0 -0.238 49.0 58.6 -55.1 150.8 -19.8 9.4 1.8 27 28 A G T 3 S+ 0 0 58 107,-1.7 -1,-0.2 1,-0.2 108,-0.1 0.234 100.0 54.8 112.4 -11.5 -22.1 12.3 0.8 28 29 A K S < S- 0 0 53 -3,-0.8 -1,-0.2 106,-0.2 36,-0.2 -0.978 94.7 -90.3-140.1 153.5 -20.8 15.0 3.1 29 30 A P - 0 0 5 0, 0.0 36,-2.8 0, 0.0 2,-0.5 -0.284 42.7-142.6 -57.6 148.9 -17.3 16.4 3.8 30 31 A I E -dE 65 132B 0 102,-1.8 102,-3.0 34,-0.2 2,-0.6 -0.982 9.0-156.9-122.7 127.4 -15.4 14.6 6.5 31 32 A I E -dE 66 131B 0 34,-2.9 36,-3.4 -2,-0.5 2,-0.4 -0.926 16.8-162.3-104.0 118.0 -13.1 16.2 9.1 32 33 A L E -dE 67 130B 2 98,-3.3 98,-2.6 -2,-0.6 36,-0.2 -0.864 10.0-174.8-107.6 130.7 -10.7 13.6 10.4 33 34 A S E -d 68 0B 0 34,-2.8 36,-2.3 -2,-0.4 2,-0.4 -0.882 11.1-155.2-128.5 97.8 -8.7 14.1 13.7 34 35 A P E +d 69 0B 1 0, 0.0 94,-0.3 0, 0.0 2,-0.2 -0.603 34.1 139.9 -73.0 129.1 -6.1 11.5 14.7 35 36 A I E -d 70 0B 0 34,-2.6 36,-2.5 -2,-0.4 37,-0.4 -0.804 44.3-123.8-141.7-178.5 -5.4 11.3 18.4 36 37 A Y > - 0 0 5 -2,-0.2 3,-1.5 34,-0.2 7,-0.1 -0.981 21.2-126.4-134.7 155.0 -4.8 8.7 21.1 37 38 A T T 3 S+ 0 0 9 -2,-0.3 -1,-0.1 1,-0.3 33,-0.0 0.751 107.7 46.5 -75.9 -24.3 -7.0 8.4 24.2 38 39 A H T 3 S+ 0 0 98 -3,-0.0 2,-0.7 2,-0.0 -1,-0.3 0.254 82.3 125.6 -95.7 12.7 -4.2 8.5 26.8 39 40 A a < + 0 0 4 -3,-1.5 -3,-0.1 1,-0.2 83,-0.0 -0.595 27.6 169.1 -77.6 110.2 -2.6 11.5 25.0 40 41 A R + 0 0 216 -2,-0.7 -1,-0.2 3,-0.1 -3,-0.0 0.478 65.1 51.0-101.0 -1.6 -2.3 14.3 27.6 41 42 A A S > S+ 0 0 49 3,-0.1 4,-0.7 4,-0.0 -2,-0.0 0.834 121.2 1.4 -99.3 -87.0 -0.1 16.6 25.6 42 43 A A H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.856 119.9 65.8 -78.0 -34.8 -1.1 17.6 22.1 43 44 A a H > S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.850 98.5 50.7 -66.6 -38.2 -4.4 15.8 21.7 44 45 A P H > S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.899 112.5 50.5 -60.5 -35.9 -6.3 17.7 24.4 45 46 A L H X S+ 0 0 89 -4,-0.7 4,-2.5 -3,-0.2 -2,-0.2 0.950 112.1 45.6 -65.0 -46.8 -5.1 20.9 22.6 46 47 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.939 116.8 44.0 -59.3 -49.0 -6.2 19.6 19.2 47 48 A T H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.918 114.6 48.3 -69.0 -43.1 -9.6 18.4 20.4 48 49 A K H X S+ 0 0 112 -4,-2.6 4,-1.1 -5,-0.3 -1,-0.2 0.888 111.8 51.3 -62.2 -39.3 -10.3 21.6 22.5 49 50 A S H < S+ 0 0 22 -4,-2.5 3,-0.4 -5,-0.2 4,-0.4 0.921 110.6 48.0 -63.7 -44.6 -9.3 23.7 19.5 50 51 A L H >X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-1.3 0.894 105.6 58.2 -58.7 -42.5 -11.7 21.7 17.3 51 52 A L H 3< S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.816 108.9 47.1 -57.6 -30.1 -14.5 22.2 19.9 52 53 A K T 3< S+ 0 0 171 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.432 120.3 34.9 -94.3 -3.5 -14.0 26.0 19.5 53 54 A V T X> S+ 0 0 6 -3,-1.3 3,-1.5 -4,-0.4 4,-0.6 0.700 101.7 69.8-113.0 -37.1 -14.0 26.1 15.7 54 55 A I H >X S+ 0 0 3 -4,-2.8 3,-1.8 1,-0.3 4,-1.1 0.874 93.8 57.5 -51.0 -47.7 -16.5 23.4 14.6 55 56 A P H 34 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.739 102.5 56.7 -59.3 -22.9 -19.6 25.3 15.9 56 57 A K H <4 S+ 0 0 131 -3,-1.5 -2,-0.2 1,-0.2 3,-0.1 0.725 107.3 49.6 -71.7 -24.2 -18.7 28.2 13.6 57 58 A L H << S- 0 0 26 -3,-1.8 2,-0.3 -4,-0.6 -1,-0.2 0.710 116.3 -79.6 -94.3 -28.5 -18.7 26.0 10.5 58 59 A G < - 0 0 20 -4,-1.1 -1,-0.3 2,-0.0 0, 0.0 -0.957 60.3 -43.5 151.7-166.7 -22.0 24.2 10.7 59 60 A T >>> - 0 0 88 -2,-0.3 4,-2.4 -3,-0.1 3,-2.2 -0.863 51.1-125.2-106.0 115.4 -23.7 21.2 12.3 60 61 A P B 345S+h 64 0C 38 0, 0.0 34,-0.3 0, 0.0 33,-0.3 -0.330 99.5 26.5 -56.8 137.1 -21.8 17.9 12.6 61 62 A G T 345S+ 0 0 26 3,-2.7 4,-0.2 32,-0.6 33,-0.1 0.274 128.5 47.8 88.9 -9.3 -23.9 15.1 11.0 62 63 A K T <45S+ 0 0 143 -3,-2.2 3,-0.1 2,-0.6 -1,-0.1 0.627 121.1 22.5-121.4 -63.0 -25.6 17.6 8.7 63 64 A D T <5S- 0 0 63 -4,-2.4 2,-0.3 1,-0.3 -5,-0.0 0.781 136.0 -21.1 -81.0 -27.2 -23.1 19.9 7.0 64 65 A F B < -h 60 0C 0 -5,-0.8 -3,-2.7 -36,-0.2 -2,-0.6 -0.951 66.8-105.5-168.4 162.9 -20.1 17.5 7.5 65 66 A W E -d 30 0B 47 -36,-2.8 -34,-2.9 -2,-0.3 2,-0.5 -0.814 23.2-153.3 -95.7 144.8 -19.0 14.6 9.6 66 67 A V E -df 31 94B 0 27,-2.2 29,-2.9 -2,-0.4 2,-0.5 -0.992 13.7-173.7-115.2 125.9 -16.4 15.0 12.3 67 68 A I E -df 32 95B 0 -36,-3.4 -34,-2.8 -2,-0.5 2,-0.5 -0.918 10.0-171.2-125.1 102.4 -14.4 11.9 13.1 68 69 A T E -df 33 96B 0 27,-2.9 29,-2.6 -2,-0.5 2,-0.4 -0.810 21.0-175.9 -82.3 126.0 -12.0 11.8 15.9 69 70 A F E -df 34 97B 1 -36,-2.3 -34,-2.6 -2,-0.5 2,-0.4 -0.979 22.8-127.5-129.8 144.5 -10.1 8.5 15.6 70 71 A T E -df 35 98B 4 27,-2.1 29,-0.5 -2,-0.4 -34,-0.2 -0.726 11.1-169.0 -88.2 133.6 -7.5 6.8 17.8 71 72 A F + 0 0 0 -36,-2.5 -35,-0.2 -2,-0.4 -1,-0.1 0.379 61.9 101.1 -97.5 3.6 -4.2 5.7 16.3 72 73 A D > - 0 0 23 -37,-0.4 3,-2.2 1,-0.1 -35,-0.1 -0.801 62.2-156.5 -87.7 110.5 -3.2 3.7 19.3 73 74 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 0.601 90.0 64.0 -68.3 -6.5 -4.0 0.1 18.4 74 75 A K T 3 S+ 0 0 172 2,-0.1 2,-0.2 -3,-0.0 -2,-0.0 0.587 78.1 110.0 -85.6 -11.6 -4.2 -0.8 22.1 75 76 A D < - 0 0 3 -3,-2.2 2,-0.2 4,-0.1 -5,-0.0 -0.432 52.6-164.7 -70.4 133.3 -7.2 1.5 22.5 76 77 A T > - 0 0 59 -2,-0.2 4,-2.1 1,-0.0 5,-0.2 -0.542 39.2 -92.5-106.9 176.3 -10.5 -0.3 23.1 77 78 A L H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 127.6 56.7 -56.6 -40.0 -14.2 0.7 22.9 78 79 A E H > S+ 0 0 151 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 106.7 49.8 -55.1 -46.8 -14.0 1.5 26.6 79 80 A D H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.895 112.4 44.7 -61.3 -45.7 -11.1 3.9 25.9 80 81 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.838 110.8 54.1 -73.0 -31.8 -12.9 5.8 23.1 81 82 A K H X S+ 0 0 53 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.906 108.5 50.1 -62.2 -44.5 -16.1 6.0 25.1 82 83 A R H X S+ 0 0 93 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.933 111.3 49.0 -57.8 -45.0 -14.1 7.6 27.9 83 84 A F H X S+ 0 0 2 -4,-2.0 4,-1.7 2,-0.2 6,-0.2 0.925 109.4 52.1 -61.0 -44.9 -12.6 10.1 25.4 84 85 A Q H <>S+ 0 0 8 -4,-2.5 5,-2.1 1,-0.2 4,-0.4 0.920 113.4 43.0 -58.3 -47.4 -16.0 11.0 24.0 85 86 A K H ><5S+ 0 0 155 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.878 107.9 61.6 -67.7 -38.3 -17.5 11.7 27.4 86 87 A E H 3<5S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.884 113.9 33.4 -54.1 -43.5 -14.3 13.6 28.4 87 88 A Y T 3<5S- 0 0 26 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.353 109.1-117.0-101.9 6.0 -14.8 16.2 25.7 88 89 A G T < 5 + 0 0 66 -3,-0.9 2,-0.2 -4,-0.4 -3,-0.2 0.760 51.3 171.4 66.3 26.0 -18.6 16.3 25.6 89 90 A I < - 0 0 7 -5,-2.1 -1,-0.2 -6,-0.2 7,-0.1 -0.501 36.4-134.7 -71.7 135.0 -18.6 15.0 22.0 90 91 A D - 0 0 58 -2,-0.2 -1,-0.1 1,-0.1 5,-0.1 0.844 24.6-141.8 -65.7 -35.2 -22.1 14.0 20.9 91 92 A G S S+ 0 0 1 3,-1.8 5,-0.3 1,-0.1 -75,-0.2 0.255 82.3 62.4 97.1 -12.3 -21.0 10.8 19.4 92 93 A K S S+ 0 0 136 2,-0.1 3,-0.2 3,-0.1 -31,-0.1 0.814 113.4 21.0-108.5 -64.3 -23.3 10.9 16.3 93 94 A G S S+ 0 0 3 1,-0.3 -27,-2.2 -33,-0.3 -32,-0.6 0.840 139.1 37.0 -72.2 -36.6 -22.5 13.9 14.0 94 95 A W E S- f 0 66B 12 -34,-0.3 -3,-1.8 -29,-0.2 -1,-0.3 -0.977 91.0-168.6-113.9 113.5 -19.1 14.0 15.7 95 96 A K E - f 0 67B 26 -29,-2.9 -27,-2.9 -2,-0.6 2,-0.5 -0.675 22.0-148.5-104.0 153.3 -17.9 10.5 16.3 96 97 A V E + f 0 68B 0 -5,-0.3 -81,-1.3 -2,-0.2 2,-0.3 -0.999 37.0 168.4-115.3 124.2 -15.1 9.0 18.3 97 98 A V E -Cf 14 69B 0 -29,-2.6 -27,-2.1 -2,-0.5 2,-0.3 -0.881 29.8-151.6-135.7 160.5 -13.9 5.8 16.6 98 99 A K E -Cf 13 70B 43 -85,-2.3 -85,-2.5 -2,-0.3 2,-0.3 -0.908 36.2-101.8-123.8 159.7 -11.2 3.2 16.5 99 100 A A E -C 12 0B 12 -29,-0.5 -87,-0.2 -2,-0.3 6,-0.1 -0.599 27.9-130.8 -77.2 141.2 -10.1 1.0 13.5 100 101 A K S S+ 0 0 104 -89,-2.7 2,-0.3 -2,-0.3 -1,-0.1 0.936 84.7 2.4 -61.6 -49.3 -11.5 -2.5 13.7 101 102 A T S > S- 0 0 69 -90,-0.3 4,-1.9 -3,-0.0 3,-0.3 -0.821 83.0 -97.1-129.6 173.9 -8.1 -4.2 13.1 102 103 A S H > S+ 0 0 93 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.772 122.2 59.3 -63.0 -28.2 -4.5 -3.1 12.6 103 104 A E H > S+ 0 0 123 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 104.9 48.1 -67.5 -42.2 -5.0 -3.3 8.8 104 105 A D H > S+ 0 0 15 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.915 114.8 47.4 -60.1 -42.5 -7.8 -0.8 9.0 105 106 A L H X S+ 0 0 15 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.939 112.1 47.7 -64.3 -51.8 -5.5 1.4 11.1 106 107 A F H X S+ 0 0 128 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.876 112.3 50.7 -50.9 -49.6 -2.4 1.1 8.7 107 108 A K H X S+ 0 0 38 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.899 111.7 46.6 -62.5 -43.1 -4.5 1.8 5.7 108 109 A L H X S+ 0 0 4 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.953 116.4 42.7 -66.9 -50.0 -6.0 4.9 7.2 109 110 A L H <>S+ 0 0 15 -4,-2.6 5,-2.6 1,-0.2 -2,-0.2 0.874 112.8 54.3 -65.3 -38.3 -2.7 6.3 8.5 110 111 A D H ><5S+ 0 0 98 -4,-2.9 3,-1.3 -5,-0.2 -1,-0.2 0.920 105.7 52.9 -60.0 -42.9 -0.9 5.4 5.2 111 112 A A H 3<5S+ 0 0 12 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.878 114.2 41.4 -62.6 -37.3 -3.5 7.3 3.2 112 113 A I T 3<5S- 0 0 5 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.205 110.1-118.5 -98.0 12.9 -3.0 10.5 5.2 113 114 A D T < 5 + 0 0 82 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.842 60.8 154.2 55.0 41.0 0.8 10.2 5.4 114 115 A F < + 0 0 12 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.2 -0.858 16.5 172.9-104.2 127.6 0.7 10.0 9.2 115 116 A R - 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