==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-DEC-05 2C8A . COMPND 2 MOLECULE: MONO-ADP-RIBOSYLTRANSFERASE C3; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR E.A.STURA,J.MENETREY,G.FLATAU,P.BOQUET,A.MENEZ . 816 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37439.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 596 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 1 0.1 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 . 64 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 3 0 0 0 0 0 3 4 3 6 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 4 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 . 12 4 0 8 0 0 6 0 2 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 4 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 44 A N 0 0 114 0, 0.0 2,-0.4 0, 0.0 151,-0.0 0.000 360.0 360.0 360.0 133.0 62.5 21.0 29.9 2 45 A T - 0 0 128 78,-0.0 2,-0.4 148,-0.0 78,-0.2 -0.818 360.0-148.6-102.6 141.6 59.7 18.8 31.3 3 46 A Y - 0 0 42 -2,-0.4 2,-0.3 76,-0.1 78,-0.3 -0.922 19.9-116.0-114.2 131.2 56.8 20.3 33.3 4 47 A Q B -a 81 0A 61 76,-2.4 78,-2.7 -2,-0.4 2,-0.5 -0.480 30.2-167.7 -61.2 122.4 55.0 18.6 36.1 5 48 A E - 0 0 72 -2,-0.3 2,-0.2 76,-0.2 130,-0.1 -0.968 16.5-135.7-116.7 114.2 51.3 18.0 35.2 6 49 A F + 0 0 10 128,-0.6 3,-0.1 -2,-0.5 615,-0.0 -0.480 22.3 179.9 -67.0 135.5 49.0 17.0 38.0 7 50 A T + 0 0 24 -2,-0.2 615,-3.4 1,-0.2 2,-0.4 0.419 62.2 54.8-115.2 -7.2 46.7 14.1 37.0 8 51 A N > - 0 0 12 613,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.998 67.6-141.8-139.1 131.7 44.7 13.6 40.2 9 52 A I H > S+ 0 0 30 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.908 105.3 47.8 -60.3 -44.6 42.7 16.1 42.3 10 53 A D H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 112.7 49.1 -65.1 -38.1 43.8 14.7 45.6 11 54 A Q H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.903 112.3 48.8 -67.3 -41.1 47.4 14.7 44.5 12 55 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.921 112.8 46.9 -63.4 -46.0 47.1 18.3 43.4 13 56 A K H X S+ 0 0 87 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.906 110.5 52.6 -63.9 -43.7 45.5 19.4 46.6 14 57 A A H X S+ 0 0 60 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.942 113.9 43.2 -55.9 -49.4 48.1 17.6 48.7 15 58 A W H X S+ 0 0 41 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.918 116.1 47.0 -64.7 -47.3 50.9 19.3 46.9 16 59 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.926 110.8 51.1 -61.2 -48.2 49.3 22.7 46.9 17 60 A N H X S+ 0 0 68 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.865 108.4 53.5 -57.2 -37.9 48.4 22.6 50.6 18 61 A A H X S+ 0 0 38 -4,-1.8 4,-0.6 -5,-0.3 -1,-0.2 0.886 110.2 47.1 -65.7 -39.2 52.0 21.6 51.3 19 62 A Q H >X S+ 0 0 23 -4,-1.8 3,-1.2 1,-0.2 4,-0.6 0.935 110.4 51.7 -66.1 -46.4 53.2 24.7 49.4 20 63 A Y H >< S+ 0 0 36 -4,-2.6 3,-1.0 1,-0.3 4,-0.5 0.846 101.1 61.6 -61.5 -36.8 50.8 27.1 51.1 21 64 A K H 3< S+ 0 0 157 -4,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.750 106.4 46.7 -61.8 -26.1 51.8 25.9 54.6 22 65 A K H << S+ 0 0 160 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.538 87.5 85.7 -94.1 -10.6 55.3 27.2 54.0 23 66 A Y S << S- 0 0 18 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.826 72.9-152.8 -64.4 -35.0 54.6 30.6 52.5 24 67 A G - 0 0 55 -4,-0.5 -3,-0.1 -3,-0.2 -1,-0.1 0.916 20.7-170.9 59.2 44.1 54.3 32.5 55.9 25 68 A L - 0 0 12 -5,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.386 19.6-117.3 -63.5 144.0 52.0 35.1 54.4 26 69 A S > - 0 0 46 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.290 25.6-103.8 -75.9 167.5 51.3 38.0 56.7 27 70 A K H > S+ 0 0 161 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.924 123.7 46.9 -54.8 -46.9 47.9 38.9 58.0 28 71 A S H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 110.9 50.9 -68.1 -37.6 47.6 41.8 55.5 29 72 A E H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.903 110.1 50.0 -66.8 -42.6 48.8 39.7 52.6 30 73 A K H X S+ 0 0 85 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.912 109.5 51.5 -60.4 -44.4 46.2 37.0 53.4 31 74 A E H X S+ 0 0 117 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.901 109.6 50.1 -59.3 -43.1 43.5 39.6 53.5 32 75 A A H X S+ 0 0 6 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.853 112.1 47.5 -64.4 -36.9 44.5 41.0 50.1 33 76 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.919 110.5 50.8 -73.2 -43.8 44.5 37.5 48.6 34 77 A V H X S+ 0 0 43 -4,-2.7 4,-0.9 1,-0.2 131,-0.4 0.950 112.5 47.8 -55.1 -48.8 41.1 36.6 50.1 35 78 A S H >X S+ 0 0 42 -4,-2.3 4,-1.7 1,-0.2 3,-0.7 0.872 106.8 57.5 -62.3 -39.7 39.7 39.9 48.7 36 79 A Y H 3X S+ 0 0 0 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.895 102.1 54.4 -56.2 -42.5 41.3 39.1 45.3 37 80 A T H 3< S+ 0 0 14 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.734 114.1 42.5 -70.1 -19.6 39.4 35.9 45.0 38 81 A K H << S+ 0 0 104 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.706 129.2 25.4 -87.6 -26.9 36.1 37.8 45.6 39 82 A S H >X S+ 0 0 11 -4,-1.7 4,-2.2 -3,-0.2 3,-0.6 0.043 74.5 128.0-133.5 26.6 36.9 40.8 43.3 40 83 A A H 3X S+ 0 0 23 -4,-1.0 4,-3.1 1,-0.2 5,-0.4 0.848 74.1 55.5 -59.1 -39.0 39.4 39.5 40.7 41 84 A S H 3> S+ 0 0 64 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.871 110.8 45.1 -64.9 -37.2 37.4 40.8 37.7 42 85 A E H <> S+ 0 0 71 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.915 116.7 45.2 -68.5 -45.5 37.3 44.3 39.1 43 86 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.951 118.2 41.2 -65.3 -51.1 41.0 44.3 40.0 44 87 A N H X S+ 0 0 11 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.840 112.7 56.4 -68.6 -32.8 42.2 42.8 36.7 45 88 A G H X S+ 0 0 28 -4,-1.6 4,-2.4 -5,-0.4 -1,-0.2 0.915 109.4 44.7 -63.3 -43.3 39.8 44.9 34.8 46 89 A K H X S+ 0 0 58 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.863 112.1 53.1 -70.2 -35.4 41.2 48.2 36.2 47 90 A L H <>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 6,-0.3 0.913 112.4 44.2 -66.3 -41.8 44.8 46.9 35.7 48 91 A R H ><5S+ 0 0 114 -4,-2.3 3,-1.3 3,-0.2 -2,-0.2 0.931 112.2 52.4 -65.8 -46.3 44.1 46.2 32.0 49 92 A Q H 3<5S+ 0 0 148 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.865 118.5 36.3 -57.5 -41.5 42.2 49.5 31.5 50 93 A N T ><5S- 0 0 63 -4,-2.0 3,-1.9 -5,-0.1 -1,-0.3 0.202 108.3-120.0-100.9 12.1 45.1 51.5 32.9 51 94 A K T < 5S- 0 0 134 -3,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.845 75.4 -50.4 48.8 40.7 47.9 49.3 31.5 52 95 A G T 3 + 0 0 13 -2,-0.6 3,-1.7 1,-0.2 -1,-0.1 0.349 47.1 105.3-105.7 4.2 47.8 52.1 39.7 55 98 A N T 3 S+ 0 0 137 1,-0.3 -1,-0.2 7,-0.0 7,-0.1 0.817 83.1 46.4 -57.3 -36.7 48.3 55.7 40.6 56 99 A G T 3 S+ 0 0 75 -3,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.414 89.0 110.5 -89.0 -0.6 44.7 56.7 40.0 57 100 A F S < S- 0 0 11 -3,-1.7 5,-0.1 1,-0.1 -3,-0.0 -0.349 84.5 -85.1 -69.0 154.7 43.2 53.8 41.9 58 101 A P >> - 0 0 81 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.294 45.8-109.5 -51.1 146.3 41.3 54.3 45.2 59 102 A S H 3> S+ 0 0 75 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.820 117.5 52.5 -54.7 -38.7 43.8 54.2 48.1 60 103 A N H 3> S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.838 108.3 50.5 -68.4 -35.4 42.6 50.8 49.4 61 104 A L H <> S+ 0 0 10 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.857 107.3 53.5 -71.6 -37.0 43.1 49.2 46.0 62 105 A I H X S+ 0 0 41 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.937 110.6 47.8 -58.7 -46.2 46.6 50.6 45.6 63 106 A K H X S+ 0 0 127 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.902 112.5 48.8 -62.4 -40.6 47.4 49.0 49.0 64 107 A Q H X S+ 0 0 26 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.925 112.0 47.9 -65.4 -46.8 45.8 45.7 48.0 65 108 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.923 111.9 49.0 -60.2 -46.2 47.7 45.6 44.7 66 109 A E H X S+ 0 0 113 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.865 111.5 51.0 -66.0 -30.8 51.0 46.4 46.3 67 110 A L H X S+ 0 0 46 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.893 110.6 47.6 -71.2 -41.1 50.3 43.6 48.9 68 111 A L H X S+ 0 0 1 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.937 112.6 49.9 -63.0 -46.4 49.6 41.0 46.2 69 112 A D H >< S+ 0 0 10 -4,-2.7 3,-0.8 1,-0.2 4,-0.2 0.915 113.1 45.7 -57.4 -45.1 52.7 42.0 44.3 70 113 A K H >< S+ 0 0 98 -4,-2.0 3,-1.8 1,-0.2 4,-0.3 0.800 99.5 69.4 -72.2 -29.4 54.9 41.7 47.4 71 114 A S H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.3 4,-0.5 0.758 86.4 69.1 -61.1 -25.7 53.3 38.4 48.5 72 115 A F T << S+ 0 0 1 -3,-0.8 -1,-0.3 -4,-0.8 85,-0.2 0.676 80.4 74.6 -70.2 -16.3 55.0 36.8 45.5 73 116 A N T < S+ 0 0 78 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.775 107.2 36.1 -59.6 -24.9 58.4 37.3 47.2 74 117 A K S < S+ 0 0 82 -3,-1.6 2,-0.6 -4,-0.3 -2,-0.2 0.519 109.6 72.0-100.7 -11.6 57.2 34.4 49.4 75 118 A M + 0 0 0 -4,-0.5 82,-1.9 -3,-0.2 2,-0.3 -0.863 54.6 143.1-120.0 98.1 55.4 32.4 46.7 76 119 A K B -I 156 0B 88 -2,-0.6 80,-0.2 80,-0.3 79,-0.1 -0.972 50.8-111.8-128.5 145.2 57.5 30.6 44.1 77 120 A T - 0 0 1 78,-2.4 77,-2.7 -2,-0.3 78,-0.1 -0.619 18.5-147.3 -73.5 134.4 56.9 27.2 42.4 78 121 A P S S+ 0 0 60 0, 0.0 2,-0.3 0, 0.0 75,-0.1 0.454 77.3 18.7 -80.5 -0.6 59.6 24.7 43.5 79 122 A E S S- 0 0 65 73,-0.1 2,-0.2 76,-0.1 75,-0.1 -0.979 97.7 -73.0-158.7 161.2 59.5 22.9 40.1 80 123 A N + 0 0 44 -2,-0.3 -76,-2.4 -78,-0.2 2,-0.3 -0.466 62.8 179.7 -55.7 127.2 58.6 23.2 36.4 81 124 A I E -aB 4 151A 0 70,-2.7 70,-2.8 -78,-0.3 2,-0.4 -0.972 30.6-130.6-139.0 152.0 54.7 23.0 36.5 82 125 A M E - B 0 150A 20 -78,-2.7 -76,-0.4 -2,-0.3 2,-0.3 -0.882 27.1-171.7 -98.7 132.8 51.8 23.1 34.1 83 126 A L E - B 0 149A 0 66,-2.2 66,-3.3 -2,-0.4 2,-0.3 -0.903 7.6-144.3-125.5 155.9 48.9 25.4 35.0 84 127 A F E +CB 133 148A 9 49,-2.5 49,-2.2 -2,-0.3 2,-0.3 -0.884 16.0 178.5-128.2 149.2 45.5 25.7 33.4 85 128 A R E - B 0 147A 60 62,-2.0 62,-2.1 -2,-0.3 2,-0.4 -0.982 16.0-151.3-139.5 152.5 42.9 28.2 32.5 86 129 A G E - B 0 146A 3 -2,-0.3 2,-0.3 60,-0.2 60,-0.2 -0.993 25.4-175.6-116.6 134.8 39.5 28.2 30.8 87 130 A D E - B 0 145A 15 58,-3.2 58,-1.9 -2,-0.4 -2,-0.0 -0.936 21.9-124.9-131.4 152.9 38.5 31.4 29.0 88 131 A D > - 0 0 76 -2,-0.3 3,-2.0 56,-0.2 4,-0.3 -0.453 45.4 -89.7 -88.8 166.0 35.5 32.8 27.1 89 132 A P G > S+ 0 0 20 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.757 118.5 68.3 -49.0 -37.6 35.7 34.1 23.6 90 133 A A G > S+ 0 0 59 1,-0.3 3,-1.4 2,-0.2 7,-0.1 0.687 81.8 77.0 -61.3 -22.9 36.5 37.8 24.6 91 134 A Y G < S+ 0 0 29 -3,-2.0 -1,-0.3 1,-0.3 3,-0.1 0.844 93.9 51.1 -51.6 -36.1 39.9 36.6 25.8 92 135 A L G < S- 0 0 1 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.606 130.8 -78.8 -78.5 -13.1 40.9 36.5 22.1 93 136 A G X> - 0 0 16 -3,-1.4 3,-1.9 -4,-0.3 4,-0.5 -0.479 47.4 -72.7 129.3 161.9 39.6 40.1 21.6 94 137 A T G >4 S+ 0 0 126 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.801 123.5 64.1 -53.4 -35.9 36.4 42.0 21.0 95 138 A E G 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.668 102.5 49.0 -65.5 -19.7 36.1 40.6 17.5 96 139 A F G X> S+ 0 0 3 -3,-1.9 4,-1.7 -7,-0.2 3,-1.2 0.550 81.9 96.2 -95.0 -11.9 35.7 37.0 18.8 97 140 A Q T << S+ 0 0 109 -3,-1.0 -7,-0.2 -4,-0.5 4,-0.2 0.878 105.3 12.3 -47.1 -51.8 33.0 37.7 21.4 98 141 A N T 34 S+ 0 0 138 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 -0.006 128.3 55.9-119.3 26.2 30.1 36.7 19.2 99 142 A T T <4 S+ 0 0 74 -3,-1.2 12,-0.3 9,-0.0 9,-0.2 0.476 80.8 80.6-129.6 -12.8 32.0 35.0 16.3 100 143 A L S < S+ 0 0 1 -4,-1.7 8,-2.6 11,-0.1 2,-0.4 0.886 93.7 45.8 -69.6 -39.9 34.1 32.2 17.9 101 144 A L B S-J 107 0C 71 6,-0.3 6,-0.2 -5,-0.2 -1,-0.1 -0.863 73.1-146.1-110.3 139.6 31.3 29.7 18.2 102 145 A N > - 0 0 68 4,-3.1 3,-1.4 -2,-0.4 -1,-0.0 -0.166 42.6 -83.8 -87.3-173.5 28.7 28.7 15.6 103 146 A S T 3 S+ 0 0 85 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.762 127.4 57.0 -68.6 -28.3 25.1 27.6 16.3 104 147 A N T 3 S- 0 0 33 2,-0.1 -1,-0.3 226,-0.1 3,-0.1 0.469 120.0-107.8 -76.7 -4.4 26.0 24.0 17.0 105 148 A G S < S+ 0 0 31 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.669 79.6 133.5 80.4 19.6 28.4 25.2 19.8 106 149 A T - 0 0 35 1,-0.0 -4,-3.1 87,-0.0 -1,-0.3 -0.755 67.8 -97.0-103.0 147.1 31.3 24.3 17.6 107 150 A I B -J 101 0C 2 84,-2.5 2,-0.3 -2,-0.3 -6,-0.3 -0.484 40.5-121.5 -64.5 120.9 34.4 26.6 17.0 108 151 A N > - 0 0 60 -8,-2.6 4,-2.2 -2,-0.3 3,-0.2 -0.519 15.1-139.0 -63.0 126.7 33.9 28.4 13.7 109 152 A K H > S+ 0 0 132 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.822 100.7 52.4 -62.6 -37.0 36.8 27.6 11.4 110 153 A T H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.882 111.0 47.7 -65.1 -40.5 37.2 31.1 10.1 111 154 A A H > S+ 0 0 7 -12,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.879 110.3 52.6 -67.1 -38.3 37.4 32.5 13.7 112 155 A F H X S+ 0 0 11 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.886 110.1 47.7 -65.1 -39.9 39.9 29.8 14.6 113 156 A E H X S+ 0 0 101 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.869 111.7 50.5 -68.6 -36.8 42.2 30.7 11.7 114 157 A K H X S+ 0 0 138 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.843 110.0 50.3 -68.7 -35.3 41.9 34.4 12.6 115 158 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.868 110.6 49.6 -70.8 -38.1 42.8 33.6 16.2 116 159 A K H X S+ 0 0 53 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.919 110.9 48.5 -65.4 -45.6 45.9 31.6 15.1 117 160 A A H < S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.851 115.4 47.3 -63.2 -32.8 47.1 34.4 12.8 118 161 A K H < S+ 0 0 77 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.877 131.2 11.3 -74.3 -39.0 46.6 36.8 15.7 119 162 A F H >< S+ 0 0 23 -4,-2.1 3,-1.7 -5,-0.1 63,-0.4 0.686 85.6 115.4-119.9 -28.0 48.3 34.8 18.5 120 163 A L T 3< S+ 0 0 54 -4,-2.3 63,-0.2 -5,-0.3 3,-0.1 -0.311 94.6 1.1 -60.6 130.6 50.3 31.8 17.3 121 164 A N T 3 S+ 0 0 104 61,-2.1 2,-0.3 1,-0.2 -1,-0.3 0.724 110.8 115.2 63.5 28.5 54.1 32.2 17.9 122 165 A K < - 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