==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS,UNKNOWN FUNCTION 04-AUG-11 3TB2 . COMPND 2 MOLECULE: 1-CYS PEROXIREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM YOELII; . AUTHOR W.QIU,J.D.ARTZ,M.VEDADI,S.SHARMA,S.HOUSTON,J.LEW,G.WASNEY,M. . 877 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 16.4 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 . 12 1.4 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 . 60 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 7 3 5 0 0 0 0 0 3 0 2 2 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 3 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 . 8 16 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 8 3 4 0 0 0 1 0 1 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 40 0, 0.0 2,-0.8 0, 0.0 109,-0.1 0.000 360.0 360.0 360.0 38.0 44.4 68.0 3.6 2 3 A Y + 0 0 58 108,-0.3 2,-0.1 107,-0.1 3,-0.1 -0.787 360.0 160.5-105.6 83.9 42.9 64.7 5.0 3 4 A H > - 0 0 44 -2,-0.8 3,-1.8 1,-0.2 136,-0.3 -0.256 46.2 -46.9 -99.8-178.9 45.6 63.5 7.5 4 5 A L T 3 S+ 0 0 20 548,-0.3 136,-0.2 550,-0.3 -1,-0.2 -0.297 124.3 9.8 -60.1 125.0 45.8 61.1 10.4 5 6 A G T 3 S+ 0 0 18 134,-2.9 -1,-0.3 1,-0.3 135,-0.1 0.176 95.6 128.8 94.1 -16.1 42.9 61.5 12.9 6 7 A A < - 0 0 36 -3,-1.8 133,-2.5 133,-0.2 2,-0.4 -0.298 68.2-101.9 -68.3 154.5 40.9 63.9 10.7 7 8 A T B -A 138 0A 71 131,-0.2 131,-0.2 -3,-0.1 -1,-0.1 -0.679 31.2-127.0 -79.7 128.8 37.3 63.2 10.0 8 9 A F - 0 0 0 129,-3.4 2,-0.1 -2,-0.4 -1,-0.0 -0.669 34.7-116.5 -75.8 127.4 36.7 61.7 6.6 9 10 A P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.369 19.6-118.2 -71.8 148.6 34.0 63.9 4.9 10 11 A N + 0 0 56 14,-0.1 2,-0.3 -2,-0.1 13,-0.0 -0.407 37.9 177.9 -74.3 153.3 30.6 62.6 3.9 11 12 A F - 0 0 18 -2,-0.1 13,-2.3 2,-0.0 2,-0.4 -0.970 25.2-141.5-152.9 159.6 29.7 62.7 0.1 12 13 A T E +B 23 0B 78 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.980 36.9 147.3-124.2 134.3 26.9 61.8 -2.2 13 14 A A E -B 22 0B 13 9,-2.1 9,-3.3 -2,-0.4 2,-0.2 -0.968 49.1 -89.9-157.0 168.6 27.7 60.3 -5.6 14 15 A K - 0 0 98 86,-0.4 86,-2.5 -2,-0.3 2,-0.3 -0.533 47.7-173.6 -80.6 154.0 26.6 57.9 -8.3 15 16 A A B > -C 99 0C 0 3,-0.4 3,-0.7 5,-0.4 84,-0.2 -0.978 27.2 -90.1-148.5 160.6 27.9 54.3 -7.9 16 17 A S T 3 S+ 0 0 5 82,-1.8 82,-0.1 -2,-0.3 60,-0.1 -0.340 103.7 18.1 -68.1 151.1 28.0 50.9 -9.7 17 18 A G T 3 S+ 0 0 67 58,-0.2 2,-0.3 80,-0.1 -1,-0.2 0.151 110.3 80.5 76.7 -18.4 25.2 48.3 -9.2 18 19 A I < - 0 0 76 -3,-0.7 -3,-0.4 2,-0.1 4,-0.1 -0.939 60.7-155.9-120.6 144.1 22.7 50.8 -7.7 19 20 A D S S+ 0 0 78 -2,-0.3 2,-0.1 -5,-0.1 -1,-0.1 0.619 76.2 68.4 -93.1 -13.4 20.4 53.3 -9.6 20 21 A G S S- 0 0 45 1,-0.1 -5,-0.4 852,-0.0 2,-0.1 -0.331 99.4 -70.4 -96.2 178.3 20.0 55.7 -6.7 21 22 A D - 0 0 101 -7,-0.1 2,-0.6 -2,-0.1 -7,-0.2 -0.450 41.0-137.6 -69.7 137.8 22.5 58.1 -5.0 22 23 A F E -B 13 0B 10 -9,-3.3 -9,-2.1 -2,-0.1 2,-0.5 -0.893 17.0-165.3 -97.9 122.1 25.2 56.5 -2.8 23 24 A E E > -B 12 0B 59 -2,-0.6 4,-1.7 -11,-0.2 -11,-0.2 -0.961 11.9-148.1-110.0 120.2 25.7 58.4 0.4 24 25 A L H > S+ 0 0 0 -13,-2.3 4,-2.1 -2,-0.5 3,-0.2 0.903 92.8 49.0 -52.0 -56.3 29.0 57.5 2.3 25 26 A Y H 4 S+ 0 0 66 1,-0.2 4,-0.3 -14,-0.2 -1,-0.2 0.843 111.1 51.5 -58.7 -35.3 27.8 57.9 6.0 26 27 A K H >4 S+ 0 0 153 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.884 112.6 45.3 -66.3 -43.1 24.7 55.8 5.4 27 28 A Y H 3< S+ 0 0 68 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.840 119.9 39.6 -70.3 -34.0 26.7 53.0 3.9 28 29 A I T >< S+ 0 0 0 -4,-2.1 3,-1.7 -5,-0.2 -1,-0.2 0.172 78.0 143.0-104.5 16.0 29.4 53.0 6.6 29 30 A E T < S- 0 0 125 -3,-0.6 3,-0.1 -4,-0.3 107,-0.1 -0.394 82.0 -2.6 -62.2 126.5 27.3 53.6 9.7 30 31 A N T 3 S+ 0 0 122 105,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.787 118.6 108.4 60.2 32.0 28.7 51.6 12.7 31 32 A S S < S- 0 0 3 -3,-1.7 106,-0.2 104,-0.2 -1,-0.2 -0.989 73.1-120.8-139.5 151.7 31.4 50.1 10.5 32 33 A W E -d 65 0C 14 32,-2.1 34,-2.5 -2,-0.3 2,-0.3 -0.485 41.3-163.3 -75.3 151.0 35.0 50.2 9.7 33 34 A A E -dE 66 133C 0 100,-2.8 100,-3.5 32,-0.2 2,-0.5 -0.999 22.9-157.5-144.3 147.6 35.5 51.3 6.0 34 35 A I E -dE 67 132C 1 32,-2.6 34,-2.7 -2,-0.3 2,-0.5 -0.978 11.0-165.0-123.8 113.6 38.3 51.2 3.4 35 36 A L E +dE 68 131C 0 96,-1.9 96,-2.2 -2,-0.5 2,-0.4 -0.880 16.4 179.3 -96.1 119.3 37.9 53.7 0.5 36 37 A F E -dE 69 130C 1 32,-2.7 34,-0.5 -2,-0.5 2,-0.2 -0.990 10.9-159.1-128.2 134.3 40.2 52.8 -2.4 37 38 A S E -d 70 0C 0 92,-1.2 34,-0.2 -2,-0.4 32,-0.0 -0.705 4.4-167.3-108.9 162.4 40.7 54.5 -5.7 38 39 A H - 0 0 0 32,-1.8 88,-0.3 -2,-0.2 34,-0.3 -0.973 26.2-123.9-140.7 148.8 42.0 53.3 -9.1 39 40 A P S S+ 0 0 3 0, 0.0 33,-0.5 0, 0.0 87,-0.4 0.961 80.6 0.1 -61.3 -57.4 43.0 55.4 -12.1 40 41 A N - 0 0 32 85,-0.1 3,-0.5 31,-0.1 6,-0.2 -0.996 61.8-121.1-143.1 143.5 40.9 54.0 -14.9 41 42 A D S S+ 0 0 3 -2,-0.3 37,-0.1 1,-0.2 5,-0.0 -0.317 98.2 32.0 -68.3 156.3 38.3 51.3 -15.7 42 43 A F S S+ 0 0 22 1,-0.2 -1,-0.2 35,-0.1 612,-0.1 0.846 90.5 123.2 62.2 37.0 39.3 48.8 -18.4 43 44 A T > - 0 0 10 -3,-0.5 4,-1.4 1,-0.1 -1,-0.2 -0.905 66.1-120.7-126.4 151.7 43.0 48.9 -17.6 44 45 A P H > S+ 0 0 3 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.898 104.4 42.5 -65.2 -49.4 45.2 45.9 -16.6 45 46 A V H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 571,-0.4 0.910 114.7 52.8 -61.6 -45.7 46.6 46.6 -13.0 46 47 A X H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.830 107.6 52.3 -57.8 -39.5 43.2 48.0 -11.9 47 48 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.909 109.9 47.8 -65.9 -44.4 41.5 44.7 -13.1 48 49 A T H X S+ 0 0 4 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.895 113.6 48.0 -63.9 -41.2 43.9 42.5 -11.1 49 50 A E H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.942 114.8 44.0 -64.4 -50.3 43.4 44.7 -7.9 50 51 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.863 111.2 52.7 -66.2 -35.1 39.6 44.7 -8.1 51 52 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.932 112.6 48.0 -63.3 -42.0 39.4 40.9 -8.9 52 53 A E H X S+ 0 0 44 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.915 112.4 46.0 -63.2 -48.9 41.5 40.3 -5.8 53 54 A L H < S+ 0 0 5 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.832 111.1 54.8 -63.7 -33.6 39.5 42.6 -3.5 54 55 A G H >< S+ 0 0 17 -4,-2.1 3,-0.9 2,-0.2 4,-0.3 0.915 109.0 46.9 -63.3 -46.3 36.3 40.9 -4.9 55 56 A K H 3< S+ 0 0 100 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.853 116.2 45.3 -60.9 -39.9 37.7 37.5 -3.9 56 57 A M T >X S+ 0 0 14 -4,-1.9 4,-1.4 1,-0.2 3,-0.6 0.358 81.8 106.3 -85.8 -0.7 38.6 38.9 -0.4 57 58 A H H <> S+ 0 0 13 -3,-0.9 4,-2.2 -4,-0.3 -1,-0.2 0.840 78.3 49.9 -51.4 -41.7 35.2 40.7 0.1 58 59 A E H 3> S+ 0 0 112 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.840 104.8 58.9 -67.6 -33.9 33.9 38.1 2.6 59 60 A D H <4 S+ 0 0 72 -3,-0.6 4,-0.4 1,-0.2 -1,-0.2 0.867 112.3 41.3 -60.1 -37.7 37.2 38.4 4.7 60 61 A F H ><>S+ 0 0 0 -4,-1.4 5,-1.9 -3,-0.2 3,-0.8 0.884 113.0 51.2 -77.5 -42.5 36.5 42.2 5.0 61 62 A L H ><5S+ 0 0 58 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.846 103.7 59.0 -65.4 -34.7 32.7 41.8 5.7 62 63 A K T 3<5S+ 0 0 163 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.704 105.1 51.6 -63.0 -25.5 33.4 39.3 8.5 63 64 A L T < 5S- 0 0 46 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.168 122.2-108.5 -97.4 12.9 35.5 42.0 10.2 64 65 A N T < 5S+ 0 0 79 -3,-1.6 -32,-2.1 1,-0.2 2,-0.5 0.884 75.5 139.7 60.5 41.7 32.6 44.5 9.9 65 66 A C E < -d 32 0C 2 -5,-1.9 -32,-0.2 -34,-0.2 2,-0.2 -0.968 42.6-150.1-124.3 119.0 34.5 46.5 7.2 66 67 A K E -d 33 0C 51 -34,-2.5 -32,-2.6 -2,-0.5 2,-0.5 -0.581 8.3-146.5 -82.7 143.6 33.0 47.9 4.1 67 68 A L E -d 34 0C 0 -2,-0.2 2,-0.4 -34,-0.2 -32,-0.2 -0.958 15.5-171.7-110.7 127.8 35.0 48.2 0.9 68 69 A I E -d 35 0C 0 -34,-2.7 -32,-2.7 -2,-0.5 30,-0.2 -0.984 6.9-154.7-126.5 119.8 34.3 51.3 -1.3 69 70 A G E -df 36 98C 0 28,-2.8 30,-2.5 -2,-0.4 2,-0.3 -0.342 12.5-172.9 -83.9 168.9 35.8 51.7 -4.8 70 71 A F E +df 37 99C 0 -34,-0.5 -32,-1.8 28,-0.3 2,-0.3 -0.893 14.6 148.6-168.5 133.4 36.3 55.0 -6.6 71 72 A S E - f 0 100C 0 28,-1.5 30,-1.7 -2,-0.3 -31,-0.1 -0.959 53.1-108.9-157.5 165.3 37.4 56.4 -10.0 72 73 A C S S+ 0 0 3 -33,-0.5 2,-0.2 -34,-0.3 28,-0.1 0.184 84.7 110.4 -83.5 18.7 36.7 59.4 -12.2 73 74 A N S S- 0 0 19 26,-0.2 28,-0.4 1,-0.1 29,-0.2 -0.514 73.4-102.1 -89.5 159.7 34.7 57.1 -14.7 74 75 A S > - 0 0 17 -2,-0.2 4,-1.9 26,-0.1 -1,-0.1 -0.218 30.1-109.7 -73.0 169.4 30.9 57.0 -15.3 75 76 A K H > S+ 0 0 15 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.877 119.6 55.5 -63.0 -41.8 28.5 54.4 -13.8 76 77 A E H > S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.854 107.4 49.2 -63.6 -36.7 28.0 52.8 -17.3 77 78 A S H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.1 -1,-0.2 0.938 112.5 48.8 -66.3 -47.5 31.8 52.4 -17.5 78 79 A H H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.930 110.6 49.2 -56.8 -55.5 31.8 50.8 -14.0 79 80 A D H X S+ 0 0 51 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.840 115.3 43.5 -56.6 -40.3 28.9 48.3 -14.7 80 81 A K H >X S+ 0 0 92 -4,-1.6 3,-0.7 -5,-0.2 4,-0.6 0.909 114.1 49.6 -72.9 -44.5 30.4 47.1 -17.9 81 82 A W H >X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 3,-0.9 0.818 98.2 68.7 -64.5 -31.2 34.0 46.8 -16.5 82 83 A I H 3X S+ 0 0 11 -4,-2.5 4,-2.8 1,-0.3 -1,-0.2 0.875 95.6 56.3 -53.7 -37.5 32.6 44.8 -13.5 83 84 A E H S+ 0 0 41 -4,-2.8 5,-2.6 2,-0.2 4,-1.0 0.901 112.4 48.3 -61.9 -41.9 34.2 39.0 -12.7 87 88 A Y H ><5S+ 0 0 111 -4,-1.7 3,-0.6 3,-0.2 -2,-0.2 0.942 114.4 44.9 -62.8 -50.5 35.6 37.1 -15.7 88 89 A Y H 3<5S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.883 120.7 39.8 -60.1 -44.9 39.3 37.7 -14.7 89 90 A G H 3<5S- 0 0 8 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.497 107.6-122.5 -84.1 -6.5 38.6 36.8 -11.0 90 91 A K T <<5 + 0 0 146 -4,-1.0 2,-0.3 -3,-0.6 -3,-0.2 0.892 57.9 158.5 61.0 43.2 36.2 33.9 -11.8 91 92 A L < - 0 0 36 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.679 42.0-158.2 -98.9 151.1 33.5 35.6 -9.7 92 93 A N S S+ 0 0 155 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.493 77.7 13.7-104.4 -10.6 29.7 35.1 -10.0 93 94 A K - 0 0 130 -7,-0.1 2,-0.4 -39,-0.0 -1,-0.2 -0.961 62.4-137.4-157.5 167.8 28.7 38.4 -8.5 94 95 A W + 0 0 40 -2,-0.3 -12,-0.0 1,-0.1 -11,-0.0 -0.994 23.4 163.0-137.5 125.3 30.0 41.8 -7.5 95 96 A E + 0 0 110 -2,-0.4 -1,-0.1 -41,-0.1 -41,-0.0 0.488 43.2 103.8-124.0 -1.4 29.1 43.6 -4.2 96 97 A I - 0 0 2 -30,-0.1 2,-0.2 -28,-0.1 -28,-0.1 -0.720 69.5-132.2 -80.8 116.3 31.7 46.4 -3.8 97 98 A P - 0 0 14 0, 0.0 -28,-2.8 0, 0.0 2,-0.6 -0.488 15.8-153.0 -68.3 131.1 30.1 49.8 -4.7 98 99 A I E - f 0 69C 0 -30,-0.2 -82,-1.8 -2,-0.2 -28,-0.3 -0.965 14.9-139.4-108.0 111.7 32.5 51.7 -7.1 99 100 A V E -Cf 15 70C 0 -30,-2.5 -28,-1.5 -2,-0.6 2,-0.4 -0.356 8.8-134.1 -70.8 148.0 31.9 55.5 -6.6 100 101 A C E + f 0 71C 8 -86,-2.5 -86,-0.4 -30,-0.2 -28,-0.2 -0.928 26.8 169.9-107.0 133.3 31.8 57.9 -9.7 101 102 A D > + 0 0 8 -30,-1.7 3,-1.6 -2,-0.4 6,-0.2 -0.429 16.1 152.6-136.0 56.2 33.7 61.2 -9.7 102 103 A E T 3 S+ 0 0 42 1,-0.3 -1,-0.1 -29,-0.2 -30,-0.1 0.815 74.4 53.8 -57.5 -35.1 33.5 62.3 -13.4 103 104 A S T 3 S- 0 0 44 -3,-0.1 -1,-0.3 1,-0.1 -31,-0.1 0.604 104.5-129.8 -73.1 -18.8 33.7 66.0 -12.4 104 105 A R S <> S+ 0 0 13 -3,-1.6 4,-1.8 19,-0.0 5,-0.2 0.526 71.5 125.8 73.5 13.7 37.0 65.4 -10.4 105 106 A E H > S+ 0 0 150 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.937 74.0 39.8 -67.9 -45.2 35.4 67.3 -7.5 106 107 A L H > S+ 0 0 27 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.877 114.8 53.5 -71.1 -39.1 36.0 64.5 -4.9 107 108 A A H >>S+ 0 0 0 2,-0.2 5,-1.6 1,-0.2 4,-0.8 0.837 111.8 45.2 -64.2 -35.8 39.4 63.6 -6.3 108 109 A N H <5S+ 0 0 105 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.886 115.3 47.5 -73.8 -40.0 40.5 67.3 -6.0 109 110 A K H <5S+ 0 0 99 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.927 116.9 42.2 -63.9 -48.8 39.0 67.6 -2.4 110 111 A L H <5S- 0 0 6 -4,-3.1 -108,-0.3 -5,-0.1 -1,-0.2 0.642 104.1-132.8 -74.3 -13.6 40.7 64.3 -1.3 111 112 A K T <5 + 0 0 93 -4,-0.8 334,-0.3 -5,-0.2 -3,-0.2 0.829 62.7 135.3 61.8 39.7 44.0 65.2 -3.1 112 113 A I < + 0 0 1 -5,-1.6 15,-2.9 -6,-0.2 -4,-0.1 0.096 22.5 139.4-103.9 21.4 44.2 61.7 -4.7 113 114 A M E -L 126 0D 35 -6,-0.4 13,-0.3 13,-0.3 332,-0.3 -0.368 53.7-118.7 -70.4 141.5 45.1 62.8 -8.2 114 115 A D E - 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