==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-APR-11 3RLG . COMPND 2 MOLECULE: SPHINGOMYELIN PHOSPHODIESTERASE D LISICTOX-ALPHAI . SOURCE 2 ORGANISM_SCIENTIFIC: LOXOSCELES INTERMEDIA; . AUTHOR P.O.GIUSEPPE,A.ULLAH,S.S.VEIGA,M.T.MURAKAMI,R.K.ARNI . 278 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0.4 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-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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 1 2 2 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 1 3 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 2 A G 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-159.4 -20.9 5.0 38.6 2 3 A N - 0 0 142 276,-0.2 2,-0.2 1,-0.1 260,-0.0 -0.230 360.0-100.4 -69.6 154.4 -18.1 5.6 36.1 3 4 A R - 0 0 125 261,-0.1 261,-0.3 1,-0.1 -1,-0.1 -0.552 36.7-118.5 -71.5 133.8 -18.7 7.3 32.7 4 5 A R E -a 264 0A 30 259,-2.4 261,-2.1 -2,-0.2 2,-0.2 -0.661 27.8-124.0 -71.8 127.8 -18.8 4.8 29.7 5 6 A P E -a 265 0A 6 0, 0.0 2,-0.4 0, 0.0 261,-0.2 -0.550 30.6-156.4 -70.6 134.9 -16.0 5.6 27.3 6 7 A I E -a 266 0A 0 259,-2.4 261,-2.6 -2,-0.2 2,-0.6 -0.923 13.8-141.9-122.1 137.0 -17.4 6.2 23.8 7 8 A W E -b 242 0B 2 234,-2.5 236,-2.6 -2,-0.4 2,-0.7 -0.906 10.7-159.9 -93.8 119.7 -15.8 5.9 20.4 8 9 A I E -b 243 0B 0 -2,-0.6 20,-1.5 234,-0.2 21,-1.2 -0.910 21.0-162.1 -98.4 109.7 -17.0 8.7 18.1 9 10 A M E -bc 244 29B 0 234,-3.0 236,-2.8 -2,-0.7 21,-0.3 -0.870 15.3-136.3-113.7 119.4 -16.1 7.1 14.7 10 11 A G E -bc 245 30B 0 19,-2.8 21,-2.8 -2,-0.6 3,-0.4 -0.504 28.4-131.1 -70.3 127.4 -15.8 9.1 11.5 11 12 A A S S+ 0 0 2 234,-2.2 3,-0.2 1,-0.2 21,-0.1 -0.655 75.0 2.1 -81.5 140.4 -17.6 7.1 8.7 12 13 A M + 0 0 13 -2,-0.3 2,-1.3 1,-0.2 -1,-0.2 0.917 68.7 172.2 58.4 54.0 -16.0 6.4 5.3 13 14 A V + 0 0 0 18,-3.3 -1,-0.2 -3,-0.4 6,-0.0 -0.693 19.2 144.5 -97.5 87.2 -12.7 8.1 6.0 14 15 A N + 0 0 3 -2,-1.3 2,-0.3 -3,-0.2 31,-0.2 0.552 46.2 68.3-113.2 -11.1 -11.1 6.8 2.7 15 16 A A S >> S- 0 0 15 -3,-0.2 3,-1.5 45,-0.1 4,-0.6 -0.894 81.2-125.0-112.3 144.5 -8.7 9.8 1.8 16 17 A I H >> S+ 0 0 61 -2,-0.3 3,-1.7 1,-0.3 4,-0.6 0.913 110.8 56.0 -57.3 -40.2 -5.6 10.7 3.8 17 18 A G H 3> S+ 0 0 59 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.717 96.7 64.4 -63.9 -24.0 -6.8 14.3 4.2 18 19 A Q H <> S+ 0 0 10 -3,-1.5 4,-2.4 2,-0.2 5,-0.3 0.682 85.3 73.5 -75.1 -16.6 -10.1 13.1 5.7 19 20 A I H <>S+ 0 0 7 -4,-2.4 5,-2.2 2,-0.2 3,-0.5 0.898 118.2 50.2 -75.5 -40.5 -12.9 14.0 11.1 23 24 A V H ><5S+ 0 0 6 -4,-2.7 3,-1.7 -5,-0.3 -2,-0.2 0.919 108.7 52.7 -65.9 -37.8 -10.5 13.9 14.0 24 25 A N H 3<5S+ 0 0 114 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.748 104.4 57.4 -69.4 -20.1 -10.5 17.8 14.2 25 26 A L T <<5S- 0 0 69 -4,-0.7 -1,-0.3 -3,-0.5 227,-0.2 0.457 136.0 -85.1 -83.9 -3.8 -14.4 17.7 14.3 26 27 A G T < 5S+ 0 0 21 -3,-1.7 -3,-0.2 -4,-0.3 -18,-0.2 0.369 79.0 143.5 119.7 0.5 -14.1 15.5 17.4 27 28 A A < - 0 0 0 -5,-2.2 -1,-0.3 1,-0.1 -18,-0.2 -0.484 27.5-174.4 -72.1 139.3 -13.7 11.8 16.2 28 29 A N S S+ 0 0 1 -20,-1.5 58,-2.8 -2,-0.1 59,-0.9 0.164 75.8 28.4-104.2 9.6 -11.4 9.5 18.2 29 30 A S E -cd 9 87B 0 -21,-1.2 -19,-2.8 56,-0.2 2,-0.3 -0.979 67.5-151.9-162.2 159.1 -11.8 6.8 15.7 30 31 A I E -cd 10 88B 0 57,-1.7 59,-2.7 -2,-0.3 2,-0.4 -0.967 10.1-140.5-135.4 158.0 -12.4 6.3 12.0 31 32 A E E - d 0 89B 17 -21,-2.8 -18,-3.3 -2,-0.3 2,-0.4 -0.973 22.5-173.2-118.8 138.1 -13.9 3.7 9.7 32 33 A T E - d 0 90B 0 57,-2.8 59,-2.9 -2,-0.4 2,-0.2 -0.995 19.5-131.0-134.0 133.4 -12.2 3.0 6.4 33 34 A D E - d 0 91B 0 -2,-0.4 2,-0.5 57,-0.2 59,-0.2 -0.561 18.8-159.4 -88.0 142.3 -13.3 0.8 3.5 34 35 A V E - d 0 92B 0 57,-2.5 59,-3.0 11,-0.2 11,-0.2 -0.962 2.7-162.5-127.1 114.0 -10.8 -1.6 2.0 35 36 A S - 0 0 20 9,-3.8 8,-3.0 -2,-0.5 2,-0.4 -0.603 10.6-143.5 -89.1 159.3 -11.3 -3.0 -1.5 36 37 A F B -J 42 0C 10 57,-0.5 69,-0.0 6,-0.3 -2,-0.0 -0.956 7.0-132.0-124.9 144.6 -9.4 -6.2 -2.7 37 38 A D > - 0 0 33 4,-2.8 3,-1.8 -2,-0.4 6,-0.1 -0.087 46.2 -84.3 -78.3-178.5 -7.9 -7.0 -6.1 38 39 A D T 3 S+ 0 0 125 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.618 130.0 53.8 -68.1 -14.6 -8.6 -10.3 -7.8 39 39AA N T 3 S- 0 0 101 2,-0.2 -1,-0.3 58,-0.0 58,-0.0 0.215 120.2-105.2 -99.0 13.6 -5.7 -12.0 -5.8 40 40 A A S < S+ 0 0 0 -3,-1.8 68,-0.2 1,-0.3 69,-0.2 0.603 75.7 139.7 69.1 14.7 -7.1 -10.9 -2.4 41 41 A N - 0 0 56 67,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.732 64.0-108.0 -83.4 133.6 -4.5 -8.2 -2.0 42 42 A P B +J 36 0C 7 0, 0.0 -6,-0.3 0, 0.0 22,-0.1 -0.356 46.5 171.4 -57.6 143.0 -6.0 -5.0 -0.4 43 43 A E + 0 0 73 -8,-3.0 20,-2.4 1,-0.5 2,-0.3 0.713 47.6 3.3-123.1 -61.9 -6.0 -2.5 -3.3 44 44 A Y B -K 62 0D 73 -9,-0.3 -9,-3.8 18,-0.3 2,-1.3 -0.931 52.8-126.1-127.2 158.4 -7.9 0.8 -2.5 45 45 A T + 0 0 0 16,-2.5 2,-0.4 -2,-0.3 16,-0.3 -0.775 67.1 139.8 -93.5 79.6 -9.7 2.5 0.3 46 46 A Y + 0 0 88 -2,-1.3 14,-0.1 14,-0.2 -2,-0.1 -0.993 35.1 173.0-133.4 132.5 -12.7 2.9 -1.9 47 47 A H - 0 0 64 10,-0.5 -1,-0.1 12,-0.5 11,-0.1 0.849 28.5-173.9 -98.9 -57.9 -16.3 2.6 -1.2 48 48 A G - 0 0 4 9,-2.4 10,-0.1 11,-0.2 11,-0.0 -0.097 34.3 -1.0 79.9 174.1 -18.0 3.8 -4.5 49 49 A I S S+ 0 0 127 2,-0.1 2,-0.1 9,-0.0 3,-0.0 -0.581 109.6 42.5 -82.9 138.7 -21.7 4.3 -5.4 50 50 A P S S+ 0 0 119 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.532 79.5 140.5 -91.1 157.4 -24.0 3.9 -3.7 51 51 A a - 0 0 18 1,-0.2 3,-0.1 4,-0.2 6,-0.1 -0.735 53.5 -40.9-140.5-173.7 -22.9 5.4 -0.3 52 52 A D > - 0 0 21 -2,-0.2 3,-1.6 1,-0.1 -1,-0.2 -0.174 68.7 -91.4 -58.0 153.1 -24.4 7.4 2.5 53 53 A b T 3 S+ 0 0 65 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.339 111.3 18.4 -62.7 135.0 -26.6 10.4 1.9 54 54 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.532 102.5 114.4 79.0 8.1 -24.7 13.7 1.6 55 55 A R < - 0 0 42 -3,-1.6 2,-0.5 -4,-0.1 -1,-0.2 -0.887 69.1-127.1-115.3 145.3 -21.3 12.0 1.0 56 56 A N - 0 0 92 -2,-0.4 3,-0.4 1,-0.1 -4,-0.1 -0.773 25.9-165.6 -78.5 124.2 -19.0 12.0 -1.9 57 57 A a S S+ 0 0 15 -2,-0.5 -9,-2.4 1,-0.2 -10,-0.5 0.346 70.6 69.1 -96.1 0.3 -18.5 8.1 -2.4 58 58 A K + 0 0 124 -11,-0.1 2,-0.3 -12,-0.1 -1,-0.2 0.212 59.8 114.6-116.2 10.8 -15.5 8.3 -4.7 59 59 A K + 0 0 89 -3,-0.4 -12,-0.5 -44,-0.0 2,-0.3 -0.659 43.0 148.9 -77.8 140.6 -12.5 9.5 -2.6 60 60 A Y - 0 0 116 -2,-0.3 2,-0.3 -14,-0.1 -14,-0.2 -0.988 31.4-155.4-163.2 166.4 -9.8 6.8 -2.3 61 61 A E - 0 0 48 -2,-0.3 -16,-2.5 -16,-0.3 2,-0.2 -0.935 43.6 -86.4-131.7 163.6 -6.2 6.0 -1.9 62 62 A N B >> -K 44 0D 85 -2,-0.3 4,-2.2 -18,-0.2 3,-0.5 -0.555 51.9-119.5 -55.7 134.8 -4.0 3.1 -2.7 63 63 A F H 3> S+ 0 0 2 -20,-2.4 4,-2.3 1,-0.3 5,-0.1 0.894 111.7 50.0 -57.1 -42.6 -4.4 1.1 0.5 64 64 A N H 3> S+ 0 0 44 -21,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.849 108.6 53.9 -69.2 -28.2 -0.7 1.2 1.5 65 65 A D H <> S+ 0 0 56 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.934 108.5 49.7 -63.2 -47.4 -0.7 5.0 1.0 66 66 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.919 108.7 52.8 -57.9 -41.1 -3.6 5.2 3.3 67 67 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.912 106.6 51.4 -67.0 -33.7 -1.8 3.1 5.9 68 68 A K H X S+ 0 0 99 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.900 112.6 48.0 -70.4 -38.0 1.3 5.4 5.8 69 69 A G H X S+ 0 0 13 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.898 112.1 47.4 -63.2 -47.3 -1.0 8.4 6.4 70 70 A L H X S+ 0 0 0 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.877 108.8 55.2 -65.5 -39.9 -2.8 6.7 9.2 71 71 A R H >X S+ 0 0 59 -4,-2.9 3,-1.4 -5,-0.2 4,-0.6 0.961 108.3 49.1 -54.2 -47.7 0.6 5.7 10.7 72 72 A S H >< S+ 0 0 38 -4,-2.3 3,-1.0 1,-0.3 -2,-0.2 0.923 110.1 51.6 -59.4 -42.0 1.7 9.4 10.7 73 73 A A H 3< S+ 0 0 5 -4,-2.1 9,-3.0 1,-0.2 -1,-0.3 0.646 118.7 37.0 -69.4 -13.2 -1.6 10.4 12.4 74 74 A T H << S+ 0 0 0 -3,-1.4 52,-2.8 -4,-0.8 -1,-0.2 0.214 91.2 95.3-130.1 20.5 -1.1 7.8 15.1 75 75 A T S X< S- 0 0 5 -3,-1.0 3,-2.2 -4,-0.6 6,-0.2 -0.931 76.2-123.0-114.6 112.8 2.7 7.8 15.8 76 76 A P T 3 S+ 0 0 66 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.248 96.7 27.3 -52.1 134.8 3.7 10.1 18.7 77 77 A G T 3 S+ 0 0 80 1,-0.4 2,-0.1 4,-0.0 -5,-0.0 0.205 88.3 126.6 97.2 -21.7 6.2 12.7 17.7 78 78 A N S X S- 0 0 58 -3,-2.2 3,-2.0 -6,-0.2 -1,-0.4 -0.475 70.4-122.8 -69.2 147.4 5.1 12.8 14.1 79 79 A S T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -2,-0.1 -6,-0.1 0.772 114.4 42.8 -61.1 -24.6 4.2 16.3 12.8 80 80 A K T 3 S+ 0 0 101 -8,-0.2 -1,-0.3 -5,-0.1 -2,-0.0 0.240 83.3 142.5-101.0 9.9 0.7 15.0 11.9 81 81 A Y < - 0 0 53 -3,-2.0 2,-0.6 -6,-0.2 -7,-0.2 -0.319 34.4-162.2 -59.5 131.0 0.2 13.0 15.2 82 82 A Q > - 0 0 34 -9,-3.0 3,-1.5 1,-0.1 -1,-0.1 -0.936 3.7-166.2-111.9 105.8 -3.4 13.1 16.5 83 83 A E T 3 S+ 0 0 135 -2,-0.6 186,-0.3 1,-0.3 -1,-0.1 0.758 86.9 58.9 -61.9 -26.9 -3.2 12.0 20.1 84 84 A K T 3 S+ 0 0 146 184,-0.1 2,-0.9 -3,-0.1 -1,-0.3 0.669 80.9 93.2 -79.7 -16.4 -7.1 11.6 20.1 85 85 A L < + 0 0 0 -3,-1.5 -56,-0.2 -12,-0.3 -3,-0.1 -0.657 42.5 147.4 -86.0 104.8 -7.2 9.0 17.2 86 86 A V + 0 0 3 -58,-2.8 42,-2.5 -2,-0.9 2,-0.3 0.485 52.4 39.7-121.9 -5.6 -7.1 5.7 19.0 87 87 A L E -de 29 128B 0 -59,-0.9 -57,-1.7 40,-0.2 2,-0.4 -0.988 50.1-170.7-149.7 144.6 -9.2 3.1 16.9 88 88 A V E -de 30 129B 0 40,-2.1 42,-2.6 -2,-0.3 2,-0.6 -1.000 9.7-157.0-132.0 128.1 -9.6 2.3 13.2 89 89 A V E -de 31 130B 1 -59,-2.7 -57,-2.8 -2,-0.4 2,-0.7 -0.947 9.4-153.3-102.7 124.6 -12.2 -0.1 11.9 90 90 A F E -de 32 131B 0 40,-2.8 42,-2.7 -2,-0.6 2,-1.1 -0.881 5.7-150.5 -94.5 116.4 -11.3 -1.5 8.4 91 91 A D E -de 33 132B 23 -59,-2.9 -57,-2.5 -2,-0.7 2,-0.7 -0.790 18.9-148.8 -88.4 93.5 -14.6 -2.4 6.6 92 92 A L E -d 34 0B 0 40,-2.5 2,-2.2 -2,-1.1 3,-0.2 -0.608 4.7-150.3 -78.0 111.4 -13.1 -5.3 4.5 93 93 A K > + 0 0 65 -59,-3.0 3,-0.9 -2,-0.7 -57,-0.5 -0.417 37.8 152.7 -82.3 66.6 -15.0 -5.4 1.2 94 94 A T G > + 0 0 0 -2,-2.2 3,-2.4 1,-0.2 -1,-0.2 0.548 45.0 95.7 -77.3 -2.4 -14.4 -9.2 0.8 95 95 A G G 3 S+ 0 0 74 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.646 77.7 60.3 -60.9 -21.3 -17.7 -9.5 -1.3 96 96 A S G < S+ 0 0 85 -3,-0.9 -1,-0.3 2,-0.1 2,-0.3 0.516 97.3 76.4 -82.9 -4.6 -15.5 -9.3 -4.4 97 97 A L S < S- 0 0 14 -3,-2.4 2,-0.1 1,-0.1 -59,-0.1 -0.696 86.9-106.6-106.1 162.5 -13.6 -12.5 -3.5 98 98 A Y > - 0 0 176 -2,-0.3 3,-2.4 1,-0.1 4,-0.2 -0.480 38.3-111.5 -76.1 154.0 -14.4 -16.1 -3.7 99 99 A D G > S+ 0 0 89 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.827 116.4 61.3 -60.8 -32.2 -15.0 -17.6 -0.3 100 100 A N G 3 S+ 0 0 131 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.299 95.2 62.4 -83.5 11.2 -11.9 -19.7 -0.5 101 101 A Q G <> S+ 0 0 28 -3,-2.4 4,-2.8 2,-0.1 -1,-0.3 0.319 74.7 95.8-104.4 3.3 -9.7 -16.5 -0.8 102 102 A A H <> S+ 0 0 1 -3,-1.5 4,-1.9 -4,-0.2 5,-0.2 0.948 86.4 45.0 -61.2 -46.4 -10.8 -15.2 2.7 103 103 A N H > S+ 0 0 41 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.947 112.8 51.0 -61.8 -47.3 -7.7 -16.7 4.4 104 104 A D H > S+ 0 0 69 1,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.906 107.3 54.5 -54.9 -43.5 -5.4 -15.3 1.7 105 105 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.893 106.4 51.9 -60.1 -40.4 -7.0 -11.9 2.2 106 106 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.924 111.0 47.0 -61.3 -42.8 -6.2 -12.0 5.9 107 107 A K H X S+ 0 0 75 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.939 112.2 49.1 -64.1 -44.2 -2.6 -12.8 5.2 108 108 A K H X S+ 0 0 80 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.899 111.8 50.6 -63.4 -40.7 -2.3 -10.0 2.5 109 109 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.921 109.4 50.4 -59.2 -47.0 -3.8 -7.5 5.0 110 110 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.890 109.2 51.2 -60.6 -39.1 -1.4 -8.5 7.8 111 111 A K H X S+ 0 0 96 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.929 113.4 44.6 -66.3 -43.3 1.6 -8.1 5.4 112 112 A N H X>S+ 0 0 16 -4,-2.2 4,-2.7 2,-0.2 5,-0.6 0.932 115.0 46.6 -66.3 -43.6 0.5 -4.6 4.4 113 113 A L H X>S+ 0 0 0 -4,-2.8 5,-3.0 1,-0.2 4,-1.9 0.935 113.4 50.2 -63.4 -47.0 -0.4 -3.5 8.0 114 114 A L H <5S+ 0 0 6 -4,-2.8 6,-3.1 -5,-0.2 7,-0.3 0.938 117.9 38.5 -53.8 -53.0 2.9 -4.9 9.3 115 115 A Q H <5S+ 0 0 91 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.928 131.5 21.6 -64.8 -44.5 5.0 -3.1 6.6 116 116 A H H <5S+ 0 0 41 -4,-2.7 -45,-0.2 -5,-0.2 -3,-0.2 0.682 131.5 30.6-106.6 -25.0 3.2 0.2 6.3 117 117 A Y T < - 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