==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 19-FEB-99 1B94 . COMPND 2 MOLECULE: DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*TP*CP*TP*T)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.P.THOMAS,S.E.HALFORD,R.L.BRADY . 488 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 16 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 4 0 2 0 0 4 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 6 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 S > 0 0 91 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-179.4 7.9 1.9 31.7 2 3 A L H > + 0 0 13 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.990 360.0 47.3 -61.1 -52.9 8.8 0.9 28.2 3 4 A R H > S+ 0 0 76 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.911 111.9 46.5 -53.5 -57.9 5.3 2.0 27.1 4 5 A S H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.947 116.4 45.6 -56.9 -45.0 5.3 5.4 29.0 5 6 A D H X S+ 0 0 44 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.848 111.2 54.7 -63.1 -39.2 8.9 6.2 27.6 6 7 A L H X S+ 0 0 2 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.972 110.9 42.4 -63.1 -53.0 7.9 5.1 24.1 7 8 A I H X S+ 0 0 41 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.892 112.5 53.7 -66.2 -32.2 4.8 7.4 23.9 8 9 A N H X S+ 0 0 108 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.936 112.5 44.8 -64.1 -44.4 6.7 10.4 25.5 9 10 A A H X S+ 0 0 14 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.937 115.0 47.3 -67.6 -42.7 9.5 10.0 22.9 10 11 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.925 114.2 47.0 -60.0 -48.8 7.0 9.6 19.9 11 12 A Y H X S+ 0 0 116 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.908 113.7 48.7 -60.2 -45.1 4.9 12.5 21.1 12 13 A D H X S+ 0 0 70 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.928 110.6 49.5 -58.4 -51.9 8.0 14.7 21.5 13 14 A E H X S+ 0 0 26 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.880 109.4 52.2 -57.6 -41.7 9.5 13.8 18.1 14 15 A N H >< S+ 0 0 25 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.992 110.7 48.8 -56.1 -56.7 6.2 14.6 16.3 15 16 A Q H 3< S+ 0 0 124 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.785 117.0 40.5 -53.7 -35.8 6.2 18.0 18.0 16 17 A K H 3< S+ 0 0 128 -4,-1.8 2,-0.4 -5,-0.1 -1,-0.2 0.563 111.2 47.3 -95.9 -15.0 9.8 18.9 17.1 17 18 A Y << - 0 0 69 -4,-1.5 2,-0.5 -3,-0.8 -1,-0.1 -0.994 54.6-162.0-132.0 147.0 10.3 17.7 13.5 18 19 A D - 0 0 53 -2,-0.4 252,-2.4 -3,-0.0 253,-0.2 -0.953 19.0-137.3-129.8 111.9 8.4 17.9 10.3 19 20 A V E +A 269 0A 3 -2,-0.5 250,-0.3 250,-0.3 3,-0.1 -0.404 30.9 164.5 -63.7 139.6 9.1 15.6 7.4 20 21 A C E - 0 0 1 248,-2.6 12,-0.5 1,-0.4 2,-0.3 0.423 50.7 -15.1-141.7 2.4 9.2 17.5 4.0 21 22 A G E -AB 268 31A 0 247,-1.0 247,-3.0 10,-0.2 2,-0.4 -0.938 59.9 -91.6 172.1 167.6 10.9 15.4 1.3 22 23 A I E -AB 267 30A 0 8,-2.7 8,-2.9 -2,-0.3 2,-0.4 -0.813 41.7-152.7 -96.5 135.8 12.9 12.5 0.1 23 24 A I E -AB 266 29A 0 243,-2.7 242,-3.3 -2,-0.4 243,-1.4 -0.911 1.8-143.3-115.1 146.5 16.7 13.2 -0.3 24 25 A S E > -A 264 0A 0 4,-1.9 3,-1.8 -2,-0.4 240,-0.3 -0.553 30.6-109.4 -95.6 171.2 19.2 11.7 -2.6 25 26 A A T 3 S+ 0 0 7 238,-2.3 239,-0.1 1,-0.3 -1,-0.1 0.889 121.7 57.7 -71.2 -26.5 22.9 11.0 -1.8 26 27 A E T 3 S- 0 0 94 237,-0.1 -1,-0.3 235,-0.1 238,-0.1 0.502 122.7-107.3 -74.1 -12.3 23.7 13.8 -4.2 27 28 A G S < S+ 0 0 14 -3,-1.8 125,-0.4 1,-0.3 2,-0.3 0.470 70.3 139.7 98.0 5.7 21.6 16.2 -2.1 28 29 A K - 0 0 46 123,-0.1 -4,-1.9 124,-0.1 2,-0.4 -0.665 39.7-146.5 -86.2 137.6 18.6 16.7 -4.3 29 30 A I E -BC 23 150A 0 121,-3.0 121,-2.1 -2,-0.3 -6,-0.2 -0.854 7.5-159.9-111.7 132.1 15.2 16.9 -2.5 30 31 A Y E -B 22 0A 0 -8,-2.9 -8,-2.7 -2,-0.4 119,-0.1 -0.963 23.6-123.2-108.2 124.9 11.9 15.6 -3.8 31 32 A P E -B 21 0A 0 0, 0.0 -10,-0.2 0, 0.0 2,-0.2 -0.082 29.1-100.5 -62.8 160.4 8.7 16.9 -2.2 32 33 A L - 0 0 2 -12,-0.5 2,-0.1 127,-0.4 7,-0.0 -0.498 22.4-129.2 -88.8 153.3 6.0 14.8 -0.6 33 34 A G - 0 0 5 -2,-0.2 -1,-0.1 2,-0.1 257,-0.0 -0.444 21.1-125.7 -87.6 167.7 2.6 13.6 -2.1 34 35 A S S S+ 0 0 21 -2,-0.1 106,-0.2 4,-0.1 2,-0.1 0.459 71.3 95.2-103.6 -0.9 -0.6 14.2 -0.0 35 36 A D S > S- 0 0 48 1,-0.1 4,-2.2 104,-0.1 3,-0.4 -0.378 82.2-109.5 -85.3 167.3 -2.2 10.7 0.3 36 37 A T H > S+ 0 0 26 1,-0.2 4,-3.6 2,-0.2 5,-0.5 0.872 112.2 69.8 -69.0 -28.5 -1.9 8.1 3.0 37 38 A K H > S+ 0 0 100 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.953 110.2 35.4 -57.2 -41.2 0.1 5.8 0.9 38 39 A V H > S+ 0 0 9 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.924 120.8 46.1 -71.9 -48.1 3.0 8.3 1.1 39 40 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.916 107.6 57.6 -69.0 -34.8 2.3 9.5 4.7 40 41 A S H X S+ 0 0 28 -4,-3.6 4,-1.8 1,-0.2 -1,-0.2 0.955 110.8 44.4 -54.6 -48.8 1.9 5.9 6.0 41 42 A T H X S+ 0 0 2 -4,-1.2 4,-2.2 -5,-0.5 -2,-0.2 0.953 113.3 49.5 -61.0 -49.5 5.4 5.2 4.7 42 43 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.946 110.3 50.4 -61.2 -45.5 6.9 8.4 6.1 43 44 A F H X S+ 0 0 8 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.820 109.2 51.5 -63.9 -35.9 5.4 7.9 9.6 44 45 A E H X S+ 0 0 40 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.931 112.9 44.8 -60.1 -50.8 6.7 4.4 9.8 45 46 A L H < S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.856 111.2 53.8 -61.5 -36.1 10.3 5.5 8.8 46 47 A F H < S+ 0 0 5 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.872 111.8 45.4 -64.8 -37.1 10.0 8.5 11.3 47 48 A S H X S+ 0 0 0 -4,-1.5 4,-2.7 -5,-0.2 3,-0.4 0.724 92.6 82.1 -80.6 -28.1 9.1 6.1 14.2 48 49 A R H X S+ 0 0 6 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.861 94.1 41.9 -47.2 -56.7 11.7 3.4 13.5 49 50 A P H > S+ 0 0 16 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.804 114.9 52.8 -62.1 -33.6 14.8 5.1 15.2 50 51 A I H > S+ 0 0 9 -4,-0.4 4,-2.5 -3,-0.4 5,-0.3 0.949 109.0 48.3 -68.0 -51.0 12.6 6.2 18.2 51 52 A I H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.922 114.1 47.2 -53.0 -49.1 11.2 2.7 18.8 52 53 A N H X S+ 0 0 38 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.881 110.3 51.8 -63.2 -43.0 14.8 1.3 18.6 53 54 A K H X S+ 0 0 123 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.959 115.8 40.4 -57.9 -51.3 16.2 4.0 21.0 54 55 A I H X S+ 0 0 2 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.880 114.4 52.5 -66.0 -38.2 13.5 3.4 23.6 55 56 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.9 -5,-0.3 3,-0.5 0.890 107.1 53.0 -63.3 -43.8 13.6 -0.4 23.2 56 57 A E H ><5S+ 0 0 137 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.902 103.7 56.4 -64.3 -34.6 17.4 -0.5 23.7 57 58 A K H 3<5S+ 0 0 119 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.705 109.2 47.0 -71.1 -20.8 17.1 1.4 27.0 58 59 A H T <<5S- 0 0 58 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.333 121.1-110.8 -98.3 6.7 14.8 -1.2 28.4 59 60 A G T < 5 + 0 0 47 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.767 68.9 145.6 68.6 29.3 17.1 -4.0 27.1 60 61 A Y < - 0 0 39 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.772 47.3-130.3 -98.1 143.3 14.7 -5.2 24.4 61 62 A I E -F 77 0B 56 16,-3.8 16,-1.5 -2,-0.3 2,-0.5 -0.693 18.8-144.5 -82.5 142.7 15.8 -6.5 21.0 62 63 A V E -F 76 0B 27 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.960 19.8-178.9-112.7 125.2 14.0 -5.0 18.0 63 64 A E E -F 75 0B 47 12,-2.2 12,-2.4 -2,-0.5 58,-0.1 -0.997 9.0-161.1-124.7 132.7 13.2 -7.3 15.1 64 65 A E - 0 0 49 -2,-0.4 10,-0.1 324,-0.2 9,-0.1 -0.669 41.2 -77.2-104.8 158.3 11.5 -6.3 11.8 65 66 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.186 28.0-156.3 -56.7 146.5 9.9 -8.7 9.4 66 67 A K S S+ 0 0 111 1,-0.2 2,-0.3 2,-0.1 323,-0.0 0.722 81.6 43.7 -93.9 -27.4 12.2 -10.7 7.2 67 68 A Q S > S- 0 0 120 213,-0.0 3,-0.7 1,-0.0 -1,-0.2 -0.891 87.4-115.6-118.4 148.4 9.4 -11.2 4.6 68 69 A Q T 3 S+ 0 0 66 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.335 100.1 46.6 -71.0 158.4 6.8 -8.8 3.2 69 70 A N T 3 S+ 0 0 143 1,-0.2 2,-0.4 -4,-0.0 -1,-0.2 0.636 89.7 116.9 82.0 14.2 3.3 -9.8 4.1 70 71 A H < - 0 0 47 -3,-0.7 50,-0.3 2,-0.0 -1,-0.2 -0.944 57.4-106.9-121.6 141.7 4.1 -10.4 7.8 71 72 A Y B S+j 120 0C 14 48,-2.9 50,-2.2 -2,-0.4 51,-0.2 -0.710 75.8 41.9 -97.9 150.6 2.9 -8.8 11.1 72 73 A P - 0 0 0 0, 0.0 17,-0.2 0, 0.0 3,-0.1 0.724 53.7-148.2-104.3 178.1 4.0 -7.0 13.1 73 74 A D S S+ 0 0 33 1,-0.2 2,-0.4 -9,-0.1 16,-0.2 0.846 93.2 20.8 -56.9 -44.6 6.2 -4.0 12.0 74 75 A F E - G 0 88B 0 14,-2.3 14,-2.9 -10,-0.1 2,-0.5 -0.978 64.8-165.8-135.5 129.0 8.3 -4.3 15.2 75 76 A T E -FG 63 87B 0 -12,-2.4 -12,-2.2 -2,-0.4 2,-0.4 -0.967 14.7-167.1-112.6 114.4 8.8 -7.3 17.5 76 77 A L E +FG 62 86B 1 10,-3.3 10,-2.8 -2,-0.5 2,-0.3 -0.907 18.7 144.9-106.0 140.2 10.3 -6.4 20.8 77 78 A Y E -F 61 0B 33 -16,-1.5 -16,-3.8 -2,-0.4 8,-0.1 -0.989 41.6-122.5-171.2 157.2 11.7 -8.9 23.3 78 79 A K > - 0 0 60 3,-0.5 3,-1.7 -2,-0.3 6,-0.2 -0.846 26.4-129.5 -98.4 141.6 14.3 -9.8 25.9 79 80 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.829 112.3 54.9 -58.2 -32.1 16.5 -12.9 25.5 80 81 A S T 3 S+ 0 0 94 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.574 112.8 41.2 -79.6 -10.3 15.4 -13.8 29.0 81 82 A E X + 0 0 53 -3,-1.7 3,-1.8 1,-0.1 -3,-0.5 -0.470 63.1 158.4-135.3 68.5 11.6 -13.7 28.2 82 83 A P T 3 S+ 0 0 63 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.743 77.3 50.3 -69.9 -22.9 11.1 -15.2 24.7 83 84 A N T 3 S+ 0 0 95 1,-0.2 -6,-0.0 44,-0.1 -2,-0.0 0.202 97.8 70.0 -99.8 17.6 7.5 -15.9 25.2 84 85 A K S < S+ 0 0 114 -3,-1.8 43,-0.2 -6,-0.2 -6,-0.2 -0.447 71.2 160.3-122.6 48.7 6.7 -12.4 26.4 85 86 A K E - h 0 127B 7 41,-2.9 43,-2.3 -3,-0.3 44,-1.1 -0.482 31.7-142.2 -71.4 151.3 7.2 -10.7 23.1 86 87 A I E -Gh 76 129B 7 -10,-2.8 -10,-3.3 41,-0.2 2,-0.4 -0.969 9.6-155.2-116.8 122.9 5.7 -7.2 22.3 87 88 A A E -Gh 75 130B 0 42,-2.7 44,-3.5 -2,-0.5 2,-0.4 -0.810 9.4-171.5 -97.9 136.5 4.3 -6.5 18.8 88 89 A I E -Gh 74 131B 0 -14,-2.9 -14,-2.3 -2,-0.4 2,-0.4 -0.998 3.9-178.4-131.5 126.6 4.1 -2.9 17.6 89 90 A D E - h 0 132B 11 42,-2.1 44,-2.8 -2,-0.4 2,-0.6 -0.981 20.2-136.9-124.1 137.7 2.3 -1.9 14.5 90 91 A I E - h 0 133B 7 -2,-0.4 2,-0.4 42,-0.2 44,-0.2 -0.823 23.2-177.6 -99.6 121.2 2.1 1.6 12.9 91 92 A K E - h 0 134B 29 42,-2.6 44,-2.9 -2,-0.6 2,-0.4 -0.915 3.5-167.2-116.5 143.8 -1.3 2.6 11.6 92 93 A T E + h 0 135B 23 -2,-0.4 2,-0.3 42,-0.2 13,-0.2 -0.979 11.9 162.9-130.8 146.9 -2.2 5.8 9.8 93 94 A T E - h 0 136B 27 42,-2.3 44,-1.4 -2,-0.4 2,-0.2 -0.921 22.5-127.6-150.3 173.8 -5.4 7.7 8.8 94 95 A Y E - h 0 137B 87 -2,-0.3 2,-0.3 42,-0.2 44,-0.2 -0.742 5.1-153.5-124.0 171.9 -6.4 11.1 7.7 95 96 A T E - h 0 138B 7 42,-2.1 44,-2.3 -2,-0.2 3,-0.1 -0.985 12.6-149.4-141.0 144.5 -8.9 13.9 8.5 96 97 A N S S+ 0 0 99 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.823 91.7 23.0 -85.7 -31.0 -10.2 16.6 6.2 97 98 A K S > S- 0 0 139 41,-0.0 3,-1.3 0, 0.0 -1,-0.3 -0.971 106.9 -84.3-131.7 139.3 -10.7 19.2 8.9 98 99 A E T 3 S+ 0 0 91 -2,-0.4 -2,-0.1 1,-0.2 66,-0.1 -0.175 107.6 7.1 -46.9 134.0 -8.8 19.1 12.2 99 100 A N T 3 S+ 0 0 87 1,-0.2 -1,-0.2 -4,-0.0 3,-0.1 0.671 83.0 144.0 63.3 29.5 -10.4 16.9 14.8 100 101 A E < - 0 0 79 -3,-1.3 95,-0.4 1,-0.1 -1,-0.2 -0.311 63.2 -73.7 -78.5 178.7 -13.2 15.1 12.9 101 102 A K - 0 0 103 93,-0.1 2,-0.3 91,-0.1 93,-0.2 -0.371 56.2-165.2 -70.7 149.6 -13.9 11.4 13.8 102 103 A I B -K 193 0D 4 91,-2.3 91,-1.7 -3,-0.1 2,-0.3 -0.893 13.7-167.2-134.4 166.0 -11.5 8.8 12.6 103 104 A K - 0 0 134 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.994 5.8-158.6-152.5 151.8 -11.1 5.1 12.0 104 105 A F - 0 0 7 87,-0.4 86,-2.2 -2,-0.3 2,-0.4 -0.915 23.8-119.4-126.8 159.7 -8.3 2.6 11.3 105 106 A T E -L 189 0E 65 -2,-0.3 84,-0.2 -13,-0.2 3,-0.1 -0.790 26.4-160.6 -96.4 127.5 -7.9 -0.8 9.9 106 107 A L E - 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M 0 180E 0 -81,-3.3 -82,-3.3 -2,-0.3 2,-0.3 -0.537 34.5-134.9 -68.7 142.1 -10.6 -5.7 11.8 189 190 A G E -L 105 0E 5 -10,-0.6 -12,-2.5 -84,-0.2 -84,-0.2 -0.796 12.2-137.9 -99.0 143.9 -12.1 -2.2 12.1 190 191 A S E - M 0 176E 13 -86,-2.2 -14,-0.3 -2,-0.3 -11,-0.2 -0.324 41.5 -73.7 -86.4 174.8 -11.3 0.1 15.0 191 192 A I - 0 0 13 -16,-2.6 2,-0.7 -14,-0.2 -87,-0.4 -0.349 42.9-124.7 -60.2 163.1 -13.9 2.2 16.8 192 193 A H + 0 0 118 -89,-0.1 2,-0.3 -3,-0.1 -89,-0.2 -0.905 65.4 111.3-108.9 92.7 -15.1 5.2 14.8 193 194 A A B -K 102 0D 11 -91,-1.7 -91,-2.3 -2,-0.7 2,-0.1 -0.936 67.8 -67.3-155.8 178.0 -14.4 8.1 17.2 194 195 A H >> - 0 0 65 -2,-0.3 3,-1.5 -93,-0.2 4,-0.9 -0.341 53.2-101.7 -73.9 155.5 -12.4 11.3 18.0 195 196 A Y H >> S+ 0 0 43 -95,-0.4 4,-1.8 1,-0.3 3,-0.7 0.795 118.7 59.6 -46.0 -44.8 -8.7 11.1 18.7 196 197 A K H 3> S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.833 98.1 59.8 -58.3 -35.5 -9.1 11.5 22.5 197 198 A D H <>>S+ 0 0 31 -3,-1.5 5,-2.4 2,-0.2 4,-1.1 0.868 106.0 48.5 -57.9 -37.6 -11.2 8.3 22.6 198 199 A F H <<5S+ 0 0 0 -4,-0.9 3,-0.4 -3,-0.7 -2,-0.2 0.960 112.2 47.7 -69.4 -46.8 -8.2 6.4 21.2 199 200 A V H <5S+ 0 0 68 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.906 117.5 42.0 -57.0 -45.6 -5.8 7.9 23.7 200 201 A E H <5S- 0 0 101 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.628 110.5-122.3 -81.8 -16.0 -8.2 7.1 26.6 201 202 A G T <5 + 0 0 20 -4,-1.1 2,-1.5 -3,-0.4 -3,-0.2 0.880 45.8 166.1 81.0 38.7 -9.1 3.7 25.3 202 203 A K < + 0 0 118 -5,-2.4 -1,-0.2 -6,-0.1 -27,-0.1 -0.386 22.3 148.4 -88.4 72.1 -12.8 4.0 25.0 203 204 A G - 0 0 29 -2,-1.5 -28,-0.1 -29,-0.4 -26,-0.1 0.099 56.5-114.6 -91.0-169.8 -13.4 0.9 22.9 204 205 A I S S+ 0 0 52 -28,-1.3 2,-0.3 -30,-0.1 -27,-0.1 0.571 83.0 91.1-106.3 -12.4 -16.4 -1.5 22.8 205 206 A F - 0 0 13 -29,-0.4 -2,-0.2 -32,-0.3 3,-0.1 -0.659 59.0-153.4 -86.5 148.1 -14.8 -4.7 24.1 206 207 A D S S+ 0 0 124 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.808 77.8 0.9 -87.2 -24.2 -14.7 -5.6 27.8 207 208 A S S > S- 0 0 45 1,-0.1 4,-2.3 -34,-0.1 -1,-0.2 -0.949 70.6-107.8-155.3 167.7 -11.6 -7.7 27.6 208 209 A E H > S+ 0 0 65 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.894 120.0 57.7 -69.2 -28.8 -8.9 -8.9 25.2 209 210 A D H > S+ 0 0 130 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.883 107.4 46.3 -65.3 -40.2 -10.5 -12.4 25.4 210 211 A E H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.945 111.6 51.5 -69.0 -46.6 -13.8 -10.9 24.2 211 212 A F H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.918 114.0 44.5 -49.1 -56.2 -12.1 -9.0 21.4 212 213 A L H X S+ 0 0 21 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.916 113.6 48.4 -57.2 -50.7 -10.3 -12.2 20.3 213 214 A D H X S+ 0 0 35 -4,-2.6 4,-1.0 -5,-0.2 -2,-0.2 0.877 111.6 51.1 -60.4 -43.1 -13.5 -14.4 20.5 214 215 A Y H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.2 4,-0.3 0.958 115.5 40.1 -56.4 -53.3 -15.5 -11.8 18.6 215 216 A W H 3< S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.772 109.9 59.4 -77.3 -19.8 -13.0 -11.5 15.7 216 217 A R H 3< S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.766 117.6 31.3 -73.1 -21.4 -12.3 -15.3 15.6 217 218 A N S << S+ 0 0 43 -4,-1.0 2,-0.4 -3,-0.7 -1,-0.2 0.133 86.8 120.5-116.5 1.8 -16.0 -16.1 14.9 218 219 A Y - 0 0 4 -3,-0.4 2,-0.3 -4,-0.3 12,-0.1 -0.721 63.6-128.9 -69.1 125.9 -16.9 -13.0 12.9 219 220 A E - 0 0 60 10,-0.4 6,-0.1 -2,-0.4 -2,-0.1 -0.628 10.0-122.9 -83.6 150.8 -18.1 -14.2 9.5 220 221 A R S S+ 0 0 141 -2,-0.3 2,-0.3 4,-0.1 -1,-0.1 0.711 86.2 42.1 -62.6 -26.0 -16.7 -12.6 6.3 221 222 A T S >> S- 0 0 60 1,-0.1 4,-2.4 0, 0.0 3,-0.6 -0.883 74.5-124.0-130.2 158.1 -20.0 -11.4 4.7 222 223 A S H 3> S+ 0 0 64 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.850 112.0 63.0 -62.3 -33.2 -23.2 -9.7 5.7 223 224 A Q H 34 S+ 0 0 141 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.861 112.6 35.5 -58.2 -41.9 -25.1 -12.7 4.2 224 225 A L H X4 S+ 0 0 65 -3,-0.6 3,-0.9 2,-0.1 -2,-0.2 0.781 113.1 57.0 -85.1 -26.4 -23.4 -14.9 6.8 225 226 A R H >< S+ 0 0 40 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.720 92.1 73.3 -80.3 -16.6 -23.4 -12.4 9.7 226 227 A N T 3< S+ 0 0 124 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.774 101.9 41.4 -58.9 -35.7 -27.2 -12.1 9.3 227 228 A D T < S+ 0 0 124 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.315 130.8 22.4 -94.8 -2.1 -27.5 -15.6 10.9 228 229 A K S < S- 0 0 45 -3,-1.1 2,-0.3 -4,-0.1 -3,-0.1 0.323 116.6 -43.5-130.6 -95.1 -24.9 -15.1 13.6 229 230 A Y + 0 0 0 -5,-0.1 -10,-0.4 1,-0.1 -2,-0.1 -0.985 31.7 179.8-151.7 146.6 -23.8 -11.6 14.7 230 231 A N S S+ 0 0 35 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.1 0.332 75.7 19.0-113.4 -19.8 -23.0 -8.3 13.1 231 232 A N S > S- 0 0 52 -52,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.913 88.2 -89.3-151.6 170.0 -22.2 -6.2 16.2 232 233 A I H > S+ 0 0 18 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.869 122.5 53.6 -55.2 -38.4 -21.3 -6.4 19.9 233 234 A S H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 112.5 43.0 -63.0 -47.5 -24.9 -6.5 21.0 234 235 A E H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.852 113.1 53.5 -67.0 -37.0 -25.7 -9.4 18.7 235 236 A Y H X S+ 0 0 11 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.888 108.2 49.1 -64.2 -45.5 -22.5 -11.1 19.7 236 237 A R H X S+ 0 0 84 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.912 112.3 49.3 -63.3 -34.2 -23.3 -10.8 23.4 237 238 A N H X S+ 0 0 94 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.953 110.0 50.5 -67.2 -47.7 -26.8 -12.3 22.7 238 239 A W H <>S+ 0 0 17 -4,-2.6 5,-2.4 1,-0.2 6,-1.0 0.844 112.4 47.0 -52.7 -46.6 -25.3 -15.2 20.7 239 240 A I H ><5S+ 0 0 63 -4,-2.1 3,-1.4 3,-0.2 -1,-0.2 0.917 109.5 54.5 -61.2 -47.9 -22.9 -15.9 23.6 240 241 A Y H 3<5S+ 0 0 208 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.873 107.8 50.7 -54.6 -40.6 -25.8 -15.7 26.1 241 242 A R T 3<5S- 0 0 133 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.516 130.9 -87.6 -77.7 -10.2 -27.8 -18.3 24.1 242 243 A G T < 5S- 0 0 48 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.696 76.4 -60.8 103.3 34.3 -24.9 -20.9 23.9 243 244 A R < 0 0 113 -5,-2.4 -4,-0.2 -6,-0.2 -5,-0.1 0.978 360.0 360.0 60.3 54.7 -23.1 -19.7 20.8 244 245 A K 0 0 173 -6,-1.0 -5,-0.1 -16,-0.1 -6,-0.1 0.246 360.0 360.0-169.9 360.0 -26.1 -20.3 18.5 245 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 246 2 B S > 0 0 91 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 178.0 8.0 13.6 -28.7 247 3 B L H > + 0 0 12 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.963 360.0 47.1 -52.8 -47.8 6.4 13.7 -25.2 248 4 B R H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 113.8 44.2 -65.0 -45.3 7.1 10.0 -24.8 249 5 B S H > S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 115.7 48.7 -70.7 -38.5 10.7 10.0 -26.1 250 6 B D H X S+ 0 0 37 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.895 112.4 49.2 -66.5 -35.8 11.5 13.1 -24.0 251 7 B L H X S+ 0 0 1 -4,-3.1 4,-2.7 -5,-0.3 5,-0.3 0.973 111.4 48.2 -68.6 -44.1 9.8 11.4 -20.9 252 8 B I H X S+ 0 0 28 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.854 113.3 47.6 -59.7 -42.5 11.7 8.2 -21.3 253 9 B N H X S+ 0 0 90 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.918 112.1 49.3 -68.5 -42.1 15.1 9.9 -21.8 254 10 B A H X S+ 0 0 22 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.953 112.9 47.4 -62.9 -43.4 14.5 12.2 -18.7 255 11 B L H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.885 111.0 50.9 -62.8 -41.8 13.5 9.2 -16.5 256 12 B Y H X S+ 0 0 88 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.916 115.4 43.8 -61.2 -46.7 16.5 7.2 -17.7 257 13 B D H X S+ 0 0 90 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.886 110.6 50.9 -62.7 -50.1 18.8 10.1 -16.9 258 14 B E H X S+ 0 0 26 -4,-2.8 4,-2.0 1,-0.2 3,-0.3 0.964 112.0 49.2 -59.0 -44.2 17.4 11.2 -13.5 259 15 B N H < S+ 0 0 23 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.833 110.1 51.2 -62.5 -39.2 17.7 7.6 -12.3 260 16 B Q H < S+ 0 0 166 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.825 116.5 40.8 -67.2 -38.0 21.3 7.3 -13.5 261 17 B K H < S+ 0 0 95 -4,-1.8 2,-0.4 -3,-0.3 -2,-0.2 0.717 111.5 49.8 -78.1 -39.2 22.2 10.5 -11.7 262 18 B Y < - 0 0 52 -4,-2.0 2,-0.5 -5,-0.1 -1,-0.1 -0.955 52.6-164.5-121.4 138.6 20.4 10.4 -8.3 263 19 B D - 0 0 55 -2,-0.4 -238,-2.3 -3,-0.0 -237,-0.1 -0.907 21.7-139.4-117.2 107.1 20.1 7.7 -5.6 264 20 B V E +A 24 0A 5 -2,-0.5 -240,-0.3 -240,-0.3 3,-0.1 -0.327 31.7 164.5 -61.9 131.5 17.3 8.4 -3.1 265 21 B C E - 0 0 0 -242,-3.3 12,-0.6 1,-0.3 2,-0.3 0.447 49.2 -13.2-135.3 2.0 18.6 7.5 0.4 266 22 B G E -AD 23 276A 0 -243,-1.4 -243,-2.7 10,-0.2 2,-0.3 -0.997 59.6 -93.3-179.6 178.4 16.2 9.0 3.0 267 23 B I E -AD 22 275A 0 8,-2.5 8,-2.2 -2,-0.3 2,-0.4 -0.830 40.5-153.7-110.6 139.8 13.4 11.2 4.2 268 24 B I E -AD 21 274A 0 -247,-3.0 -248,-2.6 -2,-0.3 -247,-1.0 -0.983 3.4-140.2-121.5 144.4 14.5 14.7 5.5 269 25 B S E > -A 19 0A 0 4,-2.1 3,-2.0 -2,-0.4 -250,-0.3 -0.523 30.7-109.3 -92.8 169.2 12.8 17.0 8.0 270 26 B A T 3 S+ 0 0 13 -252,-2.4 -114,-0.2 1,-0.3 -251,-0.1 0.830 121.6 59.7 -66.5 -25.3 12.6 20.8 7.7 271 27 B E T 3 S- 0 0 95 -253,-0.2 -1,-0.3 -116,-0.1 -252,-0.1 0.476 122.3-108.6 -75.4 -10.7 15.0 20.9 10.6 272 28 B G S < S+ 0 0 12 -3,-2.0 125,-0.4 1,-0.3 2,-0.4 0.594 71.2 140.9 91.2 9.1 17.6 19.0 8.5 273 29 B K - 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