==== 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 HYDROLASE 22-SEP-08 3ELO . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.XU,L.YI,Y.FENG,L.CHEN,J.LIU . 133 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 6 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 30.1 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 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -6 A D 0 0 212 0, 0.0 73,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 156.2 -2.0 -31.5 -12.7 2 -5 A S - 0 0 94 71,-0.5 72,-0.1 1,-0.1 71,-0.1 0.705 360.0-135.8 -67.0 -22.9 -3.1 -32.7 -9.3 3 -4 A G + 0 0 39 1,-0.2 35,-0.4 69,-0.1 2,-0.2 0.843 38.6 175.0 65.6 35.4 -6.6 -31.4 -9.8 4 -3 A I - 0 0 29 68,-0.4 -1,-0.2 69,-0.2 33,-0.1 -0.525 18.3-146.1 -78.2 141.9 -6.8 -29.8 -6.3 5 -2 A S > - 0 0 2 -2,-0.2 3,-2.0 31,-0.1 4,-0.4 -0.473 33.3 -97.1 -95.1 168.6 -9.8 -27.8 -5.3 6 -1 A P G > S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 6,-0.2 0.767 120.3 68.8 -55.5 -24.7 -9.9 -24.8 -3.0 7 0 A R G 3 S+ 0 0 0 1,-0.3 22,-0.2 29,-0.3 23,-0.1 0.434 98.5 49.1 -83.0 2.9 -10.9 -27.1 -0.2 8 1 A A G < S+ 0 0 11 -3,-2.0 -1,-0.3 21,-0.1 2,-0.1 0.391 81.5 117.2-110.0 -3.1 -7.4 -28.7 -0.2 9 2 A V S <> S- 0 0 2 -3,-1.1 4,-1.5 -4,-0.4 3,-0.4 -0.385 76.7-113.5 -69.5 143.9 -5.5 -25.4 -0.1 10 3 A W H > S+ 0 0 108 65,-2.4 4,-1.0 1,-0.2 3,-0.4 0.859 108.5 42.9 -54.7 -53.4 -3.5 -25.3 3.1 11 4 A Q H > S+ 0 0 18 67,-0.4 4,-3.0 64,-0.3 3,-0.3 0.843 107.4 60.8 -68.4 -30.5 -5.1 -22.4 5.0 12 5 A F H > S+ 0 0 0 -3,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.902 99.0 59.3 -56.8 -40.3 -8.7 -23.6 4.2 13 6 A R H < S+ 0 0 54 -4,-1.5 4,-0.5 -3,-0.4 13,-0.3 0.889 112.2 39.4 -55.8 -39.3 -7.8 -26.8 6.0 14 7 A K H >< S+ 0 0 104 -4,-1.0 3,-1.2 -3,-0.3 4,-0.3 0.953 114.8 50.7 -74.7 -50.6 -7.1 -24.7 9.1 15 8 A M H >< S+ 0 0 0 -4,-3.0 3,-2.1 1,-0.3 4,-0.4 0.832 100.0 63.2 -59.2 -36.2 -10.0 -22.2 8.7 16 9 A I G >X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.3 3,-1.4 0.808 92.5 66.4 -62.6 -26.5 -12.7 -24.9 8.3 17 10 A K G <4 S+ 0 0 106 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.627 82.3 76.5 -69.1 -13.2 -11.8 -26.1 11.8 18 11 A a G <4 S+ 0 0 20 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.837 118.3 10.9 -59.1 -32.8 -13.3 -22.8 13.1 19 12 A V T <4 S+ 0 0 32 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.1 0.603 119.8 64.8-124.4 -23.3 -16.7 -24.3 12.4 20 13 A I S < S- 0 0 30 -4,-2.5 -1,-0.2 66,-0.1 6,-0.1 -0.951 75.2-137.9-109.7 121.2 -16.5 -28.1 11.7 21 14 A P + 0 0 116 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.252 55.1 68.8 -73.0 161.5 -15.2 -30.3 14.6 22 15 A G S S- 0 0 59 1,-0.1 -2,-0.1 -5,-0.1 0, 0.0 -0.388 86.2 -78.9 116.2 170.1 -12.7 -33.1 14.1 23 16 A S S S+ 0 0 96 1,-0.2 -1,-0.1 -2,-0.1 -6,-0.1 0.906 118.1 8.8 -74.7 -43.2 -9.0 -33.6 13.3 24 17 A D > + 0 0 85 1,-0.1 3,-1.3 -3,-0.1 4,-0.4 -0.487 68.3 158.7-137.3 60.4 -9.0 -33.2 9.5 25 18 A P G >> + 0 0 7 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.761 62.3 79.2 -62.5 -22.4 -12.5 -32.0 8.4 26 19 A F G >4 S+ 0 0 28 1,-0.3 3,-1.4 -13,-0.3 4,-0.2 0.850 84.2 63.9 -53.6 -35.4 -11.2 -30.6 5.1 27 20 A L G X4 S+ 0 0 97 -3,-1.3 3,-1.1 1,-0.3 -1,-0.3 0.840 95.4 58.5 -57.4 -33.4 -11.2 -34.1 3.7 28 21 A E G <4 S+ 0 0 78 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.733 103.6 54.0 -65.2 -25.0 -15.0 -34.3 4.1 29 22 A Y G << S+ 0 0 7 -3,-1.4 2,-0.4 -4,-0.6 -1,-0.2 0.219 90.5 86.9-102.4 11.4 -15.4 -31.2 1.9 30 23 A N S < S+ 0 0 19 -3,-1.1 7,-0.3 1,-0.2 94,-0.2 -0.916 95.9 5.5-108.4 140.0 -13.5 -32.5 -1.2 31 24 A N S S+ 0 0 89 5,-0.6 93,-2.4 -2,-0.4 2,-0.3 0.968 88.8 134.1 55.2 67.0 -15.2 -34.5 -3.9 32 25 A Y B > -A 123 0A 1 91,-0.3 4,-2.0 -3,-0.2 3,-0.5 -0.988 62.9 -18.2-144.5 136.6 -18.7 -34.3 -2.7 33 26 A G T 4 S- 0 0 5 89,-3.3 4,-0.1 -2,-0.3 92,-0.1 -0.198 106.7 -51.2 60.6-154.0 -21.8 -33.5 -4.8 34 27 A b T 4 S+ 0 0 8 9,-0.1 7,-0.8 96,-0.1 -1,-0.2 0.593 134.2 31.0 -90.1 -16.8 -21.2 -31.9 -8.2 35 28 A Y T 4 S+ 0 0 26 -3,-0.5 -2,-0.2 5,-0.2 21,-0.1 0.546 88.4 85.3-125.1 -11.1 -19.1 -29.0 -7.1 36 29 A c S < S+ 0 0 0 -4,-2.0 -5,-0.6 -6,-0.1 -29,-0.3 0.657 86.3 67.0 -80.2 -11.6 -16.9 -29.9 -4.1 37 30 A G S S- 0 0 10 -5,-0.3 2,-0.2 -7,-0.3 -33,-0.1 -0.159 118.7 -49.6 -78.0-170.6 -14.2 -31.3 -6.3 38 31 A L S S- 0 0 99 -35,-0.4 -1,-0.2 -33,-0.1 -33,-0.1 -0.484 110.2 -36.3 -61.4 127.3 -12.2 -29.2 -8.7 39 32 A G S S- 0 0 31 -2,-0.2 2,-0.3 -3,-0.1 -2,-0.2 -0.179 80.2-158.3 52.8-142.2 -14.7 -27.1 -10.6 40 33 A G - 0 0 46 -4,-0.1 2,-0.3 16,-0.0 -5,-0.2 -0.921 11.4-135.4 154.2-178.0 -17.9 -29.0 -11.4 41 34 A S + 0 0 49 -7,-0.8 91,-0.1 -2,-0.3 92,-0.1 -0.943 56.0 35.4-161.2 168.4 -21.0 -29.2 -13.6 42 35 A G S S- 0 0 12 -2,-0.3 89,-0.1 2,-0.1 91,-0.1 -0.253 99.3 -36.6 74.4-165.2 -24.8 -29.8 -13.4 43 36 A T - 0 0 115 87,-0.4 -9,-0.1 89,-0.3 -2,-0.1 -0.805 68.7-102.6 -97.3 133.7 -27.0 -28.5 -10.7 44 37 A P - 0 0 24 0, 0.0 -11,-0.1 0, 0.0 6,-0.1 -0.303 27.7-143.0 -56.1 139.9 -25.7 -28.5 -7.1 45 38 A V - 0 0 47 77,-0.1 2,-0.3 1,-0.0 -12,-0.1 0.706 69.7 -9.4 -84.1 -22.2 -27.2 -31.5 -5.3 46 39 A D S > S- 0 0 18 1,-0.1 4,-2.0 76,-0.0 5,-0.1 -0.901 83.5 -78.8-158.9-175.2 -27.7 -29.9 -1.9 47 40 A E H > S+ 0 0 102 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.899 125.7 52.3 -65.8 -40.6 -26.9 -26.8 0.2 48 41 A L H > S+ 0 0 0 69,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.927 108.7 51.2 -59.4 -46.6 -23.3 -27.9 1.0 49 42 A D H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 106.2 55.2 -59.1 -41.1 -22.7 -28.4 -2.8 50 43 A K H X S+ 0 0 98 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.911 104.5 53.9 -58.3 -42.1 -24.0 -24.9 -3.4 51 44 A d H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.904 108.2 50.2 -56.8 -42.4 -21.4 -23.6 -0.9 52 45 A c H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.905 107.5 52.5 -62.4 -44.8 -18.7 -25.4 -3.0 53 46 A Q H X S+ 0 0 55 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.930 111.7 46.2 -57.7 -47.0 -19.9 -23.9 -6.3 54 47 A T H X S+ 0 0 85 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.905 111.5 52.0 -62.0 -41.9 -19.7 -20.4 -4.8 55 48 A H H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.931 111.2 47.8 -60.5 -47.6 -16.3 -21.2 -3.3 56 49 A D H X S+ 0 0 10 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.901 111.3 50.0 -56.9 -46.4 -15.1 -22.3 -6.7 57 50 A N H X S+ 0 0 92 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.892 108.7 54.1 -62.1 -37.4 -16.5 -19.2 -8.4 58 51 A e H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.932 108.8 46.3 -62.4 -46.8 -14.7 -17.1 -5.8 59 52 A Y H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.855 109.7 55.5 -66.2 -34.3 -11.3 -18.7 -6.5 60 53 A D H < S+ 0 0 82 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.886 108.2 48.3 -62.2 -40.4 -12.0 -18.2 -10.2 61 54 A Q H >< S+ 0 0 105 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.898 106.2 58.5 -63.7 -39.7 -12.6 -14.6 -9.6 62 55 A A H >< S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.3 6,-0.3 0.840 91.0 70.8 -56.5 -35.7 -9.3 -14.5 -7.6 63 56 A K T 3< S+ 0 0 111 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.684 84.1 70.0 -59.5 -20.3 -7.4 -15.7 -10.6 64 57 A K T < S+ 0 0 162 -3,-1.7 2,-0.4 -4,-0.3 -1,-0.3 0.617 81.5 90.3 -71.3 -13.3 -8.0 -12.3 -12.3 65 58 A L S X S- 0 0 40 -3,-2.3 3,-1.7 -4,-0.2 4,-0.1 -0.711 78.0-137.2 -89.5 134.3 -5.6 -10.7 -9.7 66 59 A D G > S+ 0 0 157 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.869 104.2 54.2 -61.8 -34.4 -1.9 -10.6 -10.8 67 60 A S G 3 S+ 0 0 51 1,-0.3 -1,-0.3 3,-0.0 -4,-0.1 0.552 96.0 69.4 -80.9 -2.7 -0.7 -11.7 -7.3 68 61 A f G X + 0 0 3 -3,-1.7 3,-2.2 -6,-0.3 -1,-0.3 0.318 68.7 135.7 -88.1 5.3 -3.0 -14.8 -7.5 69 62 A K T < S+ 0 0 136 -3,-1.4 -5,-0.0 1,-0.2 -3,-0.0 -0.276 71.2 21.3 -51.0 139.7 -0.8 -16.3 -10.3 70 63 A F T > S+ 0 0 116 1,-0.3 3,-2.5 -7,-0.1 4,-0.4 0.273 84.3 156.4 81.7 -7.3 -0.3 -20.1 -9.6 71 64 A L T < + 0 0 9 -3,-2.2 -1,-0.3 1,-0.3 -3,-0.1 -0.285 69.8 12.2 -54.6 131.5 -3.4 -20.3 -7.3 72 65 A L T 3 S+ 0 0 22 2,-0.5 -68,-0.4 -67,-0.1 -1,-0.3 0.323 90.2 113.4 76.3 2.1 -4.6 -23.9 -7.2 73 66 A D S < S- 0 0 95 -3,-2.5 -71,-0.5 1,-0.2 -69,-0.2 0.899 98.6 -21.0 -64.0 -37.4 -1.5 -25.4 -8.8 74 67 A N S > S- 0 0 56 -4,-0.4 3,-0.8 -73,-0.1 -2,-0.5 -0.931 76.5 -93.5-157.1 174.9 -0.9 -27.0 -5.5 75 68 A P T 3 S+ 0 0 12 0, 0.0 -65,-2.4 0, 0.0 -64,-0.3 0.562 112.4 58.3 -71.6 -6.5 -1.9 -26.5 -1.9 76 69 A Y T 3 S+ 0 0 158 -67,-0.1 -5,-0.1 1,-0.1 -67,-0.0 0.301 71.1 94.7-111.6 5.4 1.1 -24.4 -0.9 77 70 A T S < S+ 0 0 47 -3,-0.8 2,-0.4 -7,-0.2 -1,-0.1 0.794 90.0 27.9 -75.6 -32.6 1.2 -21.3 -3.2 78 71 A H + 0 0 27 -3,-0.2 -67,-0.4 -8,-0.1 2,-0.3 -0.973 60.1 175.4-133.8 139.8 -0.7 -18.8 -1.1 79 72 A T - 0 0 78 -2,-0.4 2,-0.3 -69,-0.1 24,-0.1 -0.762 7.1-179.8-126.8 177.6 -1.1 -18.4 2.7 80 73 A Y - 0 0 9 -2,-0.3 2,-0.4 15,-0.1 20,-0.0 -0.951 27.4-105.4-167.6 169.8 -2.8 -15.7 4.6 81 74 A S + 0 0 66 -2,-0.3 11,-2.2 11,-0.2 2,-0.3 -0.886 41.8 153.3-108.4 137.8 -3.5 -14.7 8.2 82 75 A Y E -B 91 0B 49 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.959 24.1-153.0-149.2 163.5 -6.9 -15.0 9.9 83 76 A S E -B 90 0B 70 7,-2.2 7,-3.2 -2,-0.3 2,-0.3 -0.947 16.4-170.6-131.1 161.2 -8.3 -15.5 13.4 84 77 A a E -B 89 0B 54 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.992 30.1-169.8-156.0 147.9 -11.6 -17.0 14.4 85 78 A S E > S-B 88 0B 99 3,-2.4 3,-2.0 -2,-0.3 -67,-0.1 -0.910 80.5 -62.1-126.3 91.0 -14.0 -17.6 17.3 86 79 A G T 3 S- 0 0 38 -2,-0.4 -1,-0.2 1,-0.3 -67,-0.1 -0.352 121.1 -10.7 58.6-134.0 -16.4 -20.2 15.7 87 80 A S T 3 S+ 0 0 68 -3,-0.1 2,-1.3 -68,-0.1 -1,-0.3 0.497 114.3 97.6 -78.2 -1.6 -18.1 -18.6 12.7 88 81 A A E < +B 85 0B 62 -3,-2.0 -3,-2.4 -70,-0.1 2,-0.4 -0.767 59.3 172.3 -80.5 92.8 -16.8 -15.2 13.7 89 82 A I E -B 84 0B 7 -2,-1.3 2,-0.5 -5,-0.2 -5,-0.2 -0.910 18.1-162.7-112.3 127.7 -13.8 -15.3 11.3 90 83 A T E -B 83 0B 86 -7,-3.2 -7,-2.2 -2,-0.4 2,-0.5 -0.958 11.1-146.6-116.4 121.6 -11.6 -12.3 10.7 91 84 A g E -B 82 0B 26 -2,-0.5 -9,-0.2 -9,-0.2 9,-0.1 -0.765 38.4-106.5 -83.2 124.5 -9.3 -12.0 7.7 92 85 A S > - 0 0 31 -11,-2.2 3,-1.6 -2,-0.5 -11,-0.2 -0.192 14.2-136.5 -58.9 135.5 -6.2 -10.1 8.8 93 86 A S T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -3,-0.0 7,-0.1 0.708 102.0 65.9 -61.3 -21.7 -5.9 -6.5 7.6 94 87 A K T 3 S+ 0 0 185 6,-0.0 -1,-0.3 -13,-0.0 -2,-0.1 0.555 74.6 116.7 -80.8 -8.8 -2.2 -7.1 6.9 95 88 A N < - 0 0 20 -3,-1.6 -15,-0.1 -14,-0.2 -4,-0.0 -0.377 67.3-122.3 -58.4 135.6 -3.0 -9.6 4.1 96 89 A K > - 0 0 149 -2,-0.1 4,-3.4 4,-0.0 5,-0.3 -0.117 39.7 -83.4 -69.0 174.0 -1.9 -8.7 0.6 97 90 A E H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.899 127.2 34.3 -55.4 -53.8 -4.3 -8.4 -2.3 98 91 A f H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.948 118.7 52.5 -66.9 -47.6 -4.5 -12.0 -3.3 99 92 A E H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.902 111.5 47.0 -51.5 -49.1 -4.1 -13.4 0.2 100 93 A A H X S+ 0 0 27 -4,-3.4 4,-2.2 2,-0.2 -1,-0.2 0.891 111.3 51.9 -60.5 -42.5 -7.0 -11.2 1.4 101 94 A F H X S+ 0 0 56 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.945 113.2 41.7 -65.3 -47.3 -9.2 -12.2 -1.5 102 95 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.867 110.5 58.2 -70.3 -31.7 -8.8 -15.9 -0.9 103 96 A g H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.941 108.9 46.4 -59.0 -43.6 -9.1 -15.5 2.8 104 97 A N H X S+ 0 0 69 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.891 109.8 52.5 -68.3 -37.2 -12.5 -14.0 2.2 105 98 A e H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.928 113.1 45.7 -59.1 -45.8 -13.5 -16.8 -0.2 106 99 A D H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.892 111.8 51.4 -64.6 -42.0 -12.5 -19.3 2.4 107 100 A R H X S+ 0 0 80 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.927 110.1 48.5 -59.8 -50.4 -14.4 -17.4 5.2 108 101 A N H X S+ 0 0 78 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.923 113.9 47.8 -57.9 -42.3 -17.5 -17.2 3.1 109 102 A A H X S+ 0 0 4 -4,-2.1 4,-3.2 -5,-0.2 -2,-0.2 0.931 110.3 50.9 -63.1 -47.6 -17.3 -20.9 2.4 110 103 A A H X S+ 0 0 0 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.923 112.4 46.4 -57.0 -44.9 -16.7 -21.8 6.1 111 104 A I H X S+ 0 0 32 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.936 113.5 49.7 -64.3 -43.5 -19.7 -19.8 7.2 112 105 A d H >X S+ 0 0 45 -4,-2.3 3,-1.2 -5,-0.2 4,-0.5 0.933 111.6 48.3 -59.6 -46.2 -21.8 -21.4 4.4 113 106 A F H >< S+ 0 0 2 -4,-3.2 3,-0.9 1,-0.3 -1,-0.2 0.823 100.4 65.4 -65.7 -31.0 -20.6 -24.9 5.4 114 107 A S H 3< S+ 0 0 53 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.706 110.4 39.2 -65.0 -18.5 -21.4 -24.2 9.1 115 108 A K H << S+ 0 0 157 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.468 97.4 91.5-106.6 -6.3 -25.1 -24.0 8.0 116 109 A A S << S- 0 0 12 -3,-0.9 -70,-0.0 -4,-0.5 -4,-0.0 -0.820 76.4-122.6-100.6 123.0 -25.3 -26.8 5.4 117 110 A P - 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