==== 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 LYASE 29-MAY-07 2Q35 . COMPND 2 MOLECULE: CURF; . SOURCE 2 ORGANISM_SCIENTIFIC: LYNGBYA MAJUSCULA; . AUTHOR T.W.GEDERS,J.C.MOWERS,J.L.SMITH . 243 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 5.3 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 . 2 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 . 14 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 1 2 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 3 0 2 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 PARALLEL BRIDGES PER LADDER . 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 15 A N 0 0 201 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.2 4.1 -42.4 -24.4 2 16 A A - 0 0 65 1,-0.1 28,-0.0 2,-0.1 18,-0.0 -0.275 360.0-126.7 -58.4 146.1 4.4 -39.6 -27.0 3 17 A V S S+ 0 0 35 1,-0.1 16,-3.3 27,-0.1 2,-0.4 0.591 97.3 54.2 -74.9 -12.6 6.0 -36.3 -25.7 4 18 A V E S-A 18 0A 5 14,-0.2 2,-0.4 26,-0.1 14,-0.2 -0.997 74.2-175.4-124.5 124.4 3.0 -34.2 -26.9 5 19 A Q E -A 17 0A 82 12,-2.0 12,-2.6 -2,-0.4 2,-0.5 -0.964 17.2-147.4-127.3 139.8 -0.4 -35.2 -25.7 6 20 A L E +A 16 0A 38 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.886 20.7 178.0-106.7 127.3 -3.9 -34.0 -26.4 7 21 A T E -A 15 0A 67 8,-2.5 8,-3.1 -2,-0.5 2,-0.4 -0.955 26.5-121.6-127.2 153.4 -6.6 -34.1 -23.7 8 22 A E E -A 14 0A 131 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.798 20.3-179.1 -95.1 130.8 -10.3 -33.0 -23.5 9 23 A L E - 0 0 58 4,-2.9 5,-0.2 -2,-0.4 -1,-0.1 0.492 51.0 -99.9-105.1 -6.5 -11.3 -30.5 -20.9 10 24 A G E > S+A 13 0A 34 3,-0.8 3,-1.8 180,-0.0 -1,-0.2 0.015 95.5 50.9 102.6 151.9 -15.0 -30.3 -21.8 11 25 A N T 3 S- 0 0 125 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 0.704 132.0 -56.5 58.6 25.3 -17.3 -28.0 -23.8 12 26 A G T 3 S+ 0 0 16 1,-0.3 37,-3.3 36,-0.1 38,-1.8 0.475 104.3 129.6 88.1 2.6 -14.9 -28.1 -26.8 13 27 A V E < -Ab 10 50A 1 -3,-1.8 -4,-2.9 36,-0.2 -3,-0.8 -0.785 34.5-177.2 -90.0 132.7 -11.8 -26.9 -24.9 14 28 A V E -Ab 8 51A 1 36,-2.7 38,-2.7 -2,-0.5 2,-0.4 -0.897 17.6-140.1-128.7 157.6 -8.8 -29.1 -25.3 15 29 A Q E -Ab 7 52A 22 -8,-3.1 -8,-2.5 -2,-0.3 2,-0.6 -0.977 5.3-164.1-121.6 130.1 -5.2 -29.1 -24.0 16 30 A I E -Ab 6 53A 0 36,-3.0 38,-2.6 -2,-0.4 2,-0.5 -0.968 17.9-165.2-110.0 118.3 -2.0 -29.8 -25.9 17 31 A T E -Ab 5 54A 31 -12,-2.6 -12,-2.0 -2,-0.6 2,-0.5 -0.929 10.2-150.6-115.6 121.9 0.7 -30.5 -23.4 18 32 A M E +A 4 0A 0 36,-2.9 -14,-0.2 -2,-0.5 -15,-0.1 -0.793 23.9 163.5 -90.5 125.5 4.4 -30.6 -24.3 19 33 A K + 0 0 111 -16,-3.3 2,-1.0 -2,-0.5 3,-0.2 -0.500 14.2 144.6-145.0 67.1 6.5 -32.9 -22.2 20 34 A D >>> + 0 0 8 1,-0.2 5,-2.2 6,-0.1 3,-1.1 -0.761 19.6 175.8 -98.9 83.6 9.9 -33.6 -23.7 21 35 A E G >45S+ 0 0 115 -2,-1.0 3,-0.7 1,-0.2 -1,-0.2 0.855 71.9 64.1 -58.2 -35.9 11.8 -33.7 -20.5 22 36 A S G 345S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.0 0.796 117.4 26.3 -61.6 -27.8 15.0 -34.7 -22.2 23 37 A S G <45S- 0 0 21 -3,-1.1 -1,-0.2 3,-0.1 -2,-0.2 0.347 107.5-117.6-113.9 3.8 15.2 -31.4 -24.2 24 38 A R T <<5S- 0 0 109 -4,-0.8 38,-0.5 -3,-0.7 -3,-0.2 0.945 79.6 -50.1 54.6 50.3 13.2 -29.3 -21.6 25 39 A N S - 0 0 19 -2,-1.9 4,-2.5 1,-0.1 3,-0.3 -0.351 56.1-107.0 -72.6 156.5 13.4 -31.5 -30.7 29 43 A P H > S+ 0 0 112 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.892 122.2 51.3 -52.9 -37.8 12.3 -33.7 -33.6 30 44 A S H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.855 109.5 49.0 -70.8 -33.5 9.7 -35.4 -31.2 31 45 A I H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.931 113.0 47.3 -66.7 -44.9 8.3 -32.0 -30.1 32 46 A V H X S+ 0 0 46 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.959 116.6 43.4 -62.0 -47.6 7.9 -30.8 -33.7 33 47 A E H X S+ 0 0 104 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.882 114.0 50.3 -67.7 -37.3 6.3 -34.1 -34.8 34 48 A G H X S+ 0 0 12 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.876 110.1 49.9 -72.5 -35.5 4.1 -34.3 -31.7 35 49 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.940 111.2 49.9 -63.0 -45.3 2.8 -30.7 -32.2 36 50 A R H X S+ 0 0 102 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.953 113.7 46.4 -56.1 -49.7 2.1 -31.5 -35.8 37 51 A H H X S+ 0 0 101 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.937 112.9 46.8 -59.6 -50.3 0.2 -34.6 -34.9 38 52 A C H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.915 112.1 50.0 -65.9 -36.5 -1.8 -33.1 -32.1 39 53 A F H X S+ 0 0 14 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.842 109.0 54.1 -69.0 -29.4 -2.8 -30.0 -34.2 40 54 A S H X S+ 0 0 41 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.931 107.7 49.7 -62.7 -48.2 -3.9 -32.5 -37.0 41 55 A V H X S+ 0 0 41 -4,-2.5 4,-0.7 1,-0.2 3,-0.4 0.932 111.2 49.7 -57.1 -45.0 -6.1 -34.3 -34.5 42 56 A V H >< S+ 0 0 3 -4,-2.3 3,-1.4 1,-0.2 6,-0.3 0.942 107.0 54.3 -57.9 -47.8 -7.6 -30.9 -33.4 43 57 A A H 3< S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.795 109.0 50.5 -59.1 -28.0 -8.2 -29.9 -37.1 44 58 A Q H 3< S+ 0 0 144 -4,-1.5 2,-0.8 -3,-0.4 -1,-0.3 0.569 93.0 77.9 -88.9 -13.7 -10.2 -33.1 -37.6 45 59 A N X< - 0 0 51 -3,-1.4 3,-1.8 -4,-0.7 -1,-0.1 -0.865 58.5-168.6-104.6 103.9 -12.5 -32.8 -34.6 46 60 A Q T 3 S+ 0 0 120 -2,-0.8 -1,-0.1 1,-0.3 151,-0.1 0.611 82.5 67.4 -62.9 -17.0 -15.3 -30.4 -35.4 47 61 A Q T 3 S+ 0 0 146 -3,-0.1 2,-0.3 -5,-0.0 -1,-0.3 0.672 78.8 98.0 -80.2 -16.5 -16.4 -30.3 -31.8 48 62 A Y < + 0 0 20 -3,-1.8 -35,-0.2 -6,-0.3 3,-0.1 -0.571 38.4 163.7 -78.7 137.2 -13.2 -28.6 -30.6 49 63 A K + 0 0 46 -37,-3.3 2,-0.3 1,-0.3 -36,-0.2 0.611 60.5 29.3-123.5 -29.4 -13.4 -24.9 -30.1 50 64 A V E -b 13 0A 0 -38,-1.8 -36,-2.7 41,-0.1 2,-0.5 -0.996 60.5-153.3-141.3 134.1 -10.4 -23.7 -28.0 51 65 A V E -bc 14 93A 0 41,-2.7 43,-3.0 -2,-0.3 2,-0.6 -0.940 3.3-159.8-107.1 129.8 -6.8 -25.1 -27.7 52 66 A I E -bc 15 94A 0 -38,-2.7 -36,-3.0 -2,-0.5 2,-0.5 -0.960 11.1-161.7-103.8 117.0 -4.8 -24.6 -24.6 53 67 A L E +bc 16 95A 1 41,-2.6 43,-2.8 -2,-0.6 2,-0.3 -0.867 23.4 154.8 -99.5 128.0 -1.1 -25.1 -25.3 54 68 A T E -bc 17 96A 3 -38,-2.6 -36,-2.9 -2,-0.5 43,-0.1 -0.901 30.6-135.3-147.1 169.4 1.1 -25.7 -22.3 55 69 A G - 0 0 7 41,-0.6 2,-0.3 -2,-0.3 5,-0.2 -0.019 28.1-100.6-103.1-150.2 4.4 -27.3 -21.1 56 70 A Y B > -G 59 0C 36 3,-1.7 3,-2.3 -39,-0.1 -36,-0.1 -0.989 69.7 -28.6-139.7 147.6 5.4 -29.4 -18.1 57 71 A G T 3 S- 0 0 50 -2,-0.3 -2,-0.1 1,-0.3 -38,-0.0 -0.196 126.6 -11.0 52.7-127.8 7.1 -28.6 -14.8 58 72 A N T 3 S+ 0 0 82 41,-0.1 42,-2.7 -3,-0.0 2,-0.4 0.364 121.2 77.0 -87.4 0.6 9.4 -25.5 -15.1 59 73 A Y E < +Gh 56 100C 60 -3,-2.3 -3,-1.7 40,-0.4 42,-0.1 -0.960 34.8 169.2-127.2 127.5 9.4 -25.3 -18.9 60 74 A F E S- 0 0 0 40,-2.8 2,-0.3 -2,-0.4 41,-0.2 0.863 83.8 -27.4 -84.9 -66.4 7.0 -24.0 -21.5 61 75 A S E - h 0 101C 0 39,-1.6 41,-2.1 -6,-0.1 -35,-0.2 -0.941 42.5-164.2-155.2 131.7 9.4 -24.1 -24.4 62 76 A S - 0 0 23 -37,-1.5 -36,-0.2 -38,-0.5 42,-0.2 0.434 34.8-153.7 -93.9 0.2 13.2 -23.8 -24.7 63 77 A G B +f 26 0B 0 -38,-0.7 -36,-2.2 41,-0.2 -1,-0.3 -0.274 57.4 4.1 60.8-149.9 13.2 -23.2 -28.4 64 78 A A S S- 0 0 34 -38,-0.2 41,-0.1 38,-0.1 40,-0.1 -0.502 82.8-120.6 -72.9 135.3 16.3 -24.2 -30.4 65 79 A S > - 0 0 54 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.344 12.2-122.6 -73.9 154.3 19.0 -26.0 -28.4 66 80 A K H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.868 116.8 56.6 -60.6 -35.4 22.6 -24.7 -28.0 67 81 A E H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 107.3 49.3 -60.7 -41.3 23.8 -28.0 -29.4 68 82 A F H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 109.2 51.4 -62.7 -46.5 21.6 -27.2 -32.5 69 83 A L H X S+ 0 0 12 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.876 108.2 51.4 -61.5 -39.5 23.1 -23.7 -32.8 70 84 A I H X S+ 0 0 33 -4,-2.4 4,-0.8 2,-0.2 3,-0.3 0.914 109.5 50.6 -62.7 -42.9 26.6 -25.1 -32.7 71 85 A R H ><>S+ 0 0 114 -4,-2.0 5,-2.4 1,-0.2 3,-0.9 0.917 107.8 54.6 -58.6 -42.7 25.6 -27.5 -35.5 72 86 A K H ><5S+ 0 0 12 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.824 97.5 62.0 -61.1 -34.3 24.3 -24.5 -37.4 73 87 A T H 3<5S+ 0 0 41 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.790 105.7 48.4 -63.4 -26.6 27.6 -22.7 -37.2 74 88 A R T <<5S- 0 0 152 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.418 122.7-110.8 -88.5 -1.9 29.1 -25.5 -39.2 75 89 A G T < 5S+ 0 0 64 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.759 79.2 133.9 76.5 28.1 26.2 -25.2 -41.7 76 90 A E < + 0 0 105 -5,-2.4 2,-0.3 -6,-0.1 -4,-0.2 0.808 68.1 14.6 -80.2 -32.9 24.9 -28.6 -40.4 77 91 A V - 0 0 34 -9,-0.2 2,-0.2 -6,-0.2 -2,-0.1 -0.904 69.9-128.9-138.5 162.5 21.2 -27.5 -40.1 78 92 A E - 0 0 179 -2,-0.3 2,-0.2 1,-0.1 -6,-0.1 -0.628 48.3 -66.0-107.2 173.2 18.9 -24.7 -41.2 79 93 A V - 0 0 43 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.374 46.1-130.5 -66.7 126.2 16.5 -22.5 -39.1 80 94 A L - 0 0 57 -2,-0.2 2,-0.4 2,-0.0 -16,-0.1 -0.523 22.6-171.3 -72.8 138.3 13.5 -24.2 -37.5 81 95 A D + 0 0 82 -2,-0.2 3,-0.3 1,-0.1 4,-0.2 -0.840 18.9 164.9-137.9 99.8 10.2 -22.4 -38.2 82 96 A L > + 0 0 13 -2,-0.4 4,-1.4 1,-0.2 3,-0.2 0.296 52.5 101.0 -92.6 7.3 7.1 -23.7 -36.2 83 97 A S H > S+ 0 0 6 1,-0.2 4,-3.2 2,-0.2 3,-0.4 0.919 76.6 54.1 -61.7 -44.7 5.0 -20.6 -37.0 84 98 A G H > S+ 0 0 32 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.863 103.7 58.3 -59.5 -35.7 3.0 -22.3 -39.8 85 99 A L H 4 S+ 0 0 43 -4,-0.2 4,-0.3 -3,-0.2 -1,-0.2 0.907 116.2 32.7 -55.9 -48.6 2.0 -25.1 -37.4 86 100 A I H >< S+ 0 0 2 -4,-1.4 3,-1.2 -3,-0.4 -2,-0.2 0.916 118.2 51.8 -77.6 -45.2 0.4 -22.6 -34.9 87 101 A L H 3< S+ 0 0 70 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.738 102.2 61.3 -70.2 -22.8 -0.9 -20.0 -37.4 88 102 A D T 3< S+ 0 0 137 -4,-1.9 -1,-0.3 -5,-0.3 2,-0.2 0.693 77.4 104.5 -74.1 -19.3 -2.7 -22.7 -39.5 89 103 A C < - 0 0 17 -3,-1.2 4,-0.1 -4,-0.3 -49,-0.0 -0.481 60.0-157.5 -68.2 128.2 -4.9 -23.7 -36.5 90 104 A E + 0 0 90 -2,-0.2 115,-0.2 2,-0.1 114,-0.2 0.570 67.5 70.2 -90.2 -9.9 -8.3 -22.2 -37.2 91 105 A I S S- 0 0 1 1,-0.1 -41,-0.1 113,-0.1 -42,-0.1 -0.739 98.2 -82.5-104.1 154.9 -9.6 -22.1 -33.7 92 106 A P - 0 0 10 0, 0.0 -41,-2.7 0, 0.0 2,-0.4 -0.249 42.0-155.1 -59.0 142.3 -8.4 -19.8 -30.9 93 107 A I E -c 51 0A 0 -43,-0.2 21,-1.9 -4,-0.1 20,-1.3 -0.972 7.1-161.4-119.6 132.6 -5.3 -20.9 -29.0 94 108 A I E -cd 52 114A 0 -43,-3.0 -41,-2.6 -2,-0.4 2,-0.8 -0.972 13.3-147.6-109.9 122.2 -4.3 -19.9 -25.4 95 109 A A E -cd 53 115A 0 19,-2.9 21,-2.6 -2,-0.5 2,-1.2 -0.821 7.9-163.2 -92.8 110.5 -0.6 -20.3 -24.6 96 110 A A E -cd 54 116A 0 -43,-2.8 2,-1.9 -2,-0.8 -41,-0.6 -0.768 5.8-170.6 -94.4 89.1 -0.4 -21.2 -20.9 97 111 A M E + d 0 117A 0 19,-2.4 21,-0.7 -2,-1.2 24,-0.1 -0.581 20.3 159.8 -87.4 79.7 3.2 -20.5 -20.4 98 112 A Q + 0 0 19 -2,-1.9 -1,-0.2 19,-0.1 2,-0.2 0.579 65.3 33.6 -76.2 -15.5 3.5 -22.0 -16.8 99 113 A G S S- 0 0 0 1,-0.2 -40,-0.4 -3,-0.2 19,-0.3 -0.570 106.0 -50.3-126.9-168.9 7.3 -22.3 -17.3 100 114 A H E -h 59 0C 38 -42,-2.7 -40,-2.8 -2,-0.2 -39,-1.6 -0.295 42.4-161.5 -69.3 153.9 10.2 -20.6 -18.9 101 115 A S E -hi 61 123C 0 21,-1.9 23,-2.0 -41,-0.2 2,-0.4 -0.949 9.5-174.6-138.5 120.1 10.1 -19.7 -22.6 102 116 A F E > - i 0 124C 40 -41,-2.1 3,-2.6 -2,-0.4 23,-0.2 -0.940 48.8 -45.5-120.6 133.3 13.4 -18.9 -24.4 103 117 A G T >> S+ 0 0 3 21,-2.2 4,-1.9 -2,-0.4 3,-1.2 -0.266 134.0 10.4 59.9-124.1 14.0 -17.7 -28.0 104 118 A G H 3> S+ 0 0 20 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.764 128.0 64.1 -54.4 -27.9 11.8 -19.5 -30.5 105 119 A G H <> S+ 0 0 0 -3,-2.6 4,-1.2 2,-0.2 -1,-0.3 0.838 101.9 46.9 -69.2 -33.3 10.0 -20.9 -27.4 106 120 A L H <> S+ 0 0 2 -3,-1.2 4,-2.1 18,-0.3 -2,-0.2 0.916 113.0 50.0 -70.8 -43.6 8.8 -17.5 -26.4 107 121 A L H X S+ 0 0 1 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.901 102.3 62.1 -61.0 -38.5 7.7 -16.8 -30.0 108 122 A L H < S+ 0 0 1 -4,-2.6 3,-0.4 1,-0.2 4,-0.3 0.912 109.8 40.4 -52.2 -47.6 5.8 -20.1 -30.0 109 123 A G H >< S+ 0 0 0 -4,-1.2 3,-1.7 1,-0.2 -1,-0.2 0.900 111.3 56.1 -67.7 -39.5 3.6 -18.9 -27.2 110 124 A L H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.645 93.9 68.5 -72.0 -11.4 3.3 -15.4 -28.6 111 125 A Y T 3< S+ 0 0 18 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.689 87.0 94.8 -74.7 -18.0 2.0 -16.8 -32.0 112 126 A A S < S- 0 0 0 -3,-1.7 -18,-0.1 -4,-0.3 3,-0.1 -0.146 86.5-120.2 -72.9 167.6 -1.1 -17.8 -29.9 113 127 A D S S+ 0 0 52 -20,-1.3 2,-0.3 1,-0.2 -19,-0.2 0.845 98.4 21.8 -78.5 -31.9 -4.3 -15.7 -29.7 114 128 A F E S-d 94 0A 83 -21,-1.9 -19,-2.9 -5,-0.1 2,-0.4 -0.953 72.0-162.7-133.1 151.9 -4.0 -15.3 -25.9 115 129 A V E -d 95 0A 3 -2,-0.3 2,-0.4 -21,-0.2 -19,-0.2 -0.998 6.2-167.3-141.1 137.5 -1.0 -15.7 -23.6 116 130 A V E -d 96 0A 1 -21,-2.6 -19,-2.4 -2,-0.4 2,-0.3 -0.998 13.5-158.6-125.9 133.6 -0.6 -16.3 -19.9 117 131 A F E -de 97 175A 1 57,-2.4 59,-2.3 -2,-0.4 2,-0.4 -0.774 16.1-121.7-112.6 153.2 2.8 -15.9 -18.2 118 132 A S E - 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0 0 56 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.745 47.4-177.2 86.5 25.9 3.1 -3.2 -17.8 171 185 A I < - 0 0 13 -5,-2.2 2,-0.8 1,-0.1 -1,-0.2 -0.256 31.2-126.2 -52.4 136.3 3.2 -6.2 -20.2 172 186 A P S S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 -0.187 82.0 79.0 -86.2 45.0 -0.3 -6.4 -21.8 173 187 A F S S- 0 0 40 -2,-0.8 2,-0.1 -27,-0.1 -57,-0.1 -0.967 90.2 -92.2-138.0 157.4 -0.9 -10.1 -20.8 174 188 A P - 0 0 38 0, 0.0 -57,-2.4 0, 0.0 2,-0.5 -0.461 34.9-166.2 -70.3 142.3 -1.9 -11.7 -17.5 175 189 A V E +e 117 0A 22 -59,-0.2 2,-0.2 -2,-0.1 -57,-0.2 -0.980 19.0 162.5-130.1 117.0 1.0 -12.8 -15.3 176 190 A V E -e 118 0A 29 -59,-2.3 -57,-2.5 -2,-0.5 -56,-0.3 -0.790 45.9 -68.7-132.6 168.0 -0.0 -15.1 -12.4 177 191 A S >> - 0 0 25 -2,-0.2 3,-2.6 -59,-0.2 4,-0.8 -0.313 50.3-112.7 -60.3 146.8 1.7 -17.5 -10.0 178 192 A R H >> S+ 0 0 72 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.845 116.4 55.1 -47.0 -47.1 3.0 -20.6 -11.7 179 193 A Q H 34 S+ 0 0 160 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.574 112.3 45.3 -67.4 -8.0 0.5 -22.9 -9.9 180 194 A D H <> S+ 0 0 70 -3,-2.6 4,-2.4 2,-0.1 -1,-0.2 0.488 86.6 90.0-109.8 -10.9 -2.4 -20.8 -11.3 181 195 A V H S+ 0 0 78 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 108.9 50.8 -54.8 -42.2 -6.2 -22.8 -14.4 184 198 A Y H X S+ 0 0 98 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.938 111.9 47.4 -62.4 -46.5 -6.4 -19.2 -15.6 185 199 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.895 111.1 51.3 -61.2 -42.1 -6.0 -20.4 -19.2 186 200 A Q H X S+ 0 0 47 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.908 109.5 49.8 -64.4 -41.3 -8.7 -23.0 -18.7 187 201 A Q H X S+ 0 0 131 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.918 112.5 46.5 -63.6 -44.0 -11.1 -20.5 -17.2 188 202 A L H X S+ 0 0 39 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.905 110.6 54.4 -62.6 -41.8 -10.6 -18.1 -20.1 189 203 A G H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.908 105.7 52.0 -61.7 -41.7 -10.9 -21.0 -22.6 190 204 A Q H < S+ 0 0 52 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.884 109.3 50.2 -65.0 -35.5 -14.3 -22.0 -21.1 191 205 A K H >< S+ 0 0 146 -4,-1.6 3,-1.2 1,-0.2 -1,-0.2 0.940 112.7 46.4 -64.4 -46.7 -15.6 -18.4 -21.5 192 206 A I H >< S+ 0 0 25 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.904 104.9 61.4 -60.9 -42.5 -14.4 -18.3 -25.1 193 207 A A T 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.511 81.1 83.3 -67.4 -7.6 -16.0 -21.8 -25.9 194 208 A K T < S+ 0 0 183 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.1 0.705 80.2 82.6 -65.5 -19.6 -19.5 -20.4 -25.0 195 209 A S S < S- 0 0 52 -3,-1.8 5,-0.0 -4,-0.2 2,-0.0 -0.512 97.1 -91.5 -84.3 154.7 -19.7 -19.1 -28.6 196 210 A P > - 0 0 82 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.354 32.8-125.0 -60.9 141.6 -20.6 -21.1 -31.7 197 211 A R H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 109.7 58.3 -56.8 -42.5 -17.6 -22.7 -33.4 198 212 A L H > S+ 0 0 149 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 108.3 46.3 -54.6 -41.7 -18.6 -21.0 -36.7 199 213 A S H > S+ 0 0 68 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.872 110.9 51.7 -72.2 -38.4 -18.4 -17.6 -35.1 200 214 A L H X S+ 0 0 13 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.933 112.1 46.2 -61.6 -45.2 -15.1 -18.3 -33.3 201 215 A V H X S+ 0 0 29 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.939 114.9 46.9 -64.5 -45.1 -13.5 -19.5 -36.6 202 216 A A H X S+ 0 0 57 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.913 114.0 47.4 -64.5 -43.5 -14.8 -16.5 -38.6 203 217 A L H X S+ 0 0 95 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.929 110.7 50.6 -64.9 -46.9 -13.7 -14.0 -35.9 204 218 A K H X S+ 0 0 24 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.909 109.8 51.1 -60.6 -40.1 -10.2 -15.4 -35.5 205 219 A Q H X S+ 0 0 145 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.934 113.3 45.7 -62.0 -45.3 -9.7 -15.3 -39.3 206 220 A H H >< S+ 0 0 141 -4,-2.1 3,-1.0 1,-0.2 4,-0.4 0.952 115.4 45.0 -61.1 -50.8 -10.8 -11.6 -39.3 207 221 A L H 3< S+ 0 0 121 -4,-3.0 4,-0.3 1,-0.2 3,-0.3 0.781 114.5 49.1 -65.2 -29.3 -8.7 -10.6 -36.3 208 222 A S H 3X S+ 0 0 41 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.530 86.5 93.6 -88.0 -7.9 -5.6 -12.4 -37.6 209 223 A A H S+ 0 0 129 -4,-0.4 4,-1.2 -3,-0.3 -1,-0.2 0.925 116.5 42.0 -65.9 -44.5 -3.5 -8.0 -40.7 211 225 A I H > S+ 0 0 27 -4,-0.3 4,-1.4 1,-0.2 3,-0.5 0.928 112.7 54.5 -67.1 -42.1 -0.6 -9.9 -39.0 212 226 A K H < S+ 0 0 154 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.883 105.2 54.3 -59.1 -37.5 -1.0 -12.8 -41.4 213 227 A A H < S+ 0 0 81 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.857 115.2 39.6 -61.9 -35.1 -0.6 -10.5 -44.4 214 228 A K H X S+ 0 0 123 -4,-1.2 4,-1.8 -3,-0.5 -1,-0.2 0.601 95.9 85.3 -90.3 -16.1 2.7 -9.2 -43.0 215 229 A F H X S+ 0 0 15 -4,-1.4 4,-2.8 -3,-0.3 5,-0.3 0.913 82.6 52.0 -61.0 -51.3 4.1 -12.5 -41.7 216 230 A P H > S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.917 113.3 44.2 -56.1 -44.7 5.8 -14.0 -44.8 217 231 A E H > S+ 0 0 87 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.880 112.2 54.2 -68.2 -36.0 7.8 -10.9 -45.6 218 232 A A H X S+ 0 0 18 -4,-1.8 4,-2.4 2,-0.2 -81,-0.4 0.934 110.0 46.0 -61.7 -49.5 8.7 -10.5 -41.8 219 233 A I H X S+ 0 0 31 -4,-2.8 4,-2.6 1,-0.2 -83,-0.2 0.924 114.6 48.4 -55.3 -50.4 10.0 -14.1 -41.7 220 234 A K H X S+ 0 0 110 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.917 112.3 47.2 -59.1 -46.0 12.0 -13.6 -44.9 221 235 A K H X S+ 0 0 120 -4,-2.8 4,-1.9 2,-0.2 5,-0.2 0.920 113.8 47.1 -65.8 -44.0 13.6 -10.3 -43.9 222 236 A E H X S+ 0 0 19 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.930 111.0 52.8 -63.7 -42.4 14.6 -11.6 -40.4 223 237 A L H X S+ 0 0 71 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.926 108.2 50.7 -55.9 -48.1 16.0 -14.8 -42.0 224 238 A E H X S+ 0 0 113 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.886 115.0 41.4 -57.7 -43.1 18.2 -12.7 -44.5 225 239 A I H X S+ 0 0 94 -4,-1.9 4,-2.6 1,-0.2 3,-0.4 0.885 112.6 56.1 -75.4 -38.8 19.7 -10.5 -41.7 226 240 A H H X S+ 0 0 3 -4,-2.8 4,-2.8 -5,-0.2 5,-0.4 0.910 101.4 56.8 -58.6 -43.0 20.1 -13.5 -39.4 227 241 A Q H X S+ 0 0 88 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.852 111.4 43.4 -59.5 -33.8 22.1 -15.3 -42.0 228 242 A V H < S+ 0 0 91 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.943 118.8 40.8 -74.9 -49.6 24.6 -12.4 -42.1 229 243 A T H < S+ 0 0 38 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.778 113.5 52.8 -75.3 -27.4 24.9 -11.8 -38.4 230 244 A F H < S+ 0 0 3 -4,-2.8 2,-1.4 -5,-0.3 -1,-0.2 0.850 101.5 63.1 -71.5 -36.7 24.9 -15.5 -37.4 231 245 A N S < S+ 0 0 83 -4,-0.9 -1,-0.2 -5,-0.4 -2,-0.1 -0.455 75.8 118.7 -93.9 63.2 27.8 -16.2 -39.7 232 246 A Q S > S- 0 0 92 -2,-1.4 3,-1.8 -3,-0.3 4,-0.5 -0.949 74.4-109.9-124.2 147.6 30.4 -14.0 -38.1 233 247 A P T 3 S+ 0 0 123 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.781 111.0 48.6 -44.9 -44.5 33.7 -15.3 -36.7 234 248 A E T 3> S+ 0 0 114 1,-0.2 4,-1.8 2,-0.1 5,-0.1 0.518 88.0 84.4 -82.6 -9.3 33.0 -14.7 -33.0 235 249 A I H <> S+ 0 0 3 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.903 83.6 56.1 -65.9 -43.5 29.5 -16.3 -32.8 236 250 A A H > S+ 0 0 40 -3,-0.5 4,-2.5 -4,-0.5 -1,-0.2 0.911 110.4 46.8 -54.7 -43.9 30.6 -19.9 -32.3 237 251 A S H > S+ 0 0 71 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.864 109.7 53.1 -66.3 -38.6 32.6 -18.9 -29.2 238 252 A R H < S+ 0 0 114 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.922 110.9 46.8 -62.3 -42.5 29.7 -16.8 -27.8 239 253 A I H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 4,-0.4 0.937 108.8 55.9 -65.4 -45.4 27.4 -19.8 -28.1 240 254 A Q H >< S+ 0 0 121 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.880 103.9 54.3 -50.8 -42.0 30.1 -22.0 -26.5 241 255 A Q T 3< S+ 0 0 127 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.588 98.6 63.4 -77.6 -6.2 30.1 -19.7 -23.4 242 256 A E T < 0 0 74 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.507 360.0 360.0 -92.1 -4.9 26.4 -20.0 -22.9 243 257 A F < 0 0 142 -3,-1.3 -3,-0.0 -4,-0.4 0, 0.0 -0.391 360.0 360.0 -65.7 360.0 26.4 -23.8 -22.2