==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 23-MAR-00 1EON . COMPND 2 MOLECULE: DNA (5'-D(*AP*AP*AP*GP*AP*(TSP)P*AP*TP*CP*TP*T)- . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.C.HORTON,B.A.CONNOLLY,J.J.PERONA . 469 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 16.0 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 . 18 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 2 1 0 0 2 2 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 . 8 2 5 1 1 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 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 95 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 169.6 7.5 1.4 31.6 2 3 A L H > + 0 0 12 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.941 360.0 50.0 -54.3 -45.7 8.5 0.5 28.1 3 4 A R H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.921 110.5 45.8 -60.4 -50.2 5.0 1.6 27.1 4 5 A S H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 115.7 47.1 -61.5 -44.8 5.0 4.9 28.9 5 6 A D H X S+ 0 0 42 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.851 111.0 53.3 -64.4 -37.8 8.5 5.8 27.5 6 7 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.949 110.8 43.5 -66.0 -48.8 7.4 4.7 24.0 7 8 A I H X S+ 0 0 39 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.948 113.4 51.8 -64.6 -42.1 4.4 6.9 23.8 8 9 A N H X S+ 0 0 109 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.925 112.8 46.4 -56.3 -46.8 6.2 9.9 25.3 9 10 A A H X S+ 0 0 21 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.919 115.4 44.9 -62.2 -46.2 9.0 9.5 22.8 10 11 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.953 114.2 49.1 -62.8 -49.7 6.5 9.1 19.8 11 12 A Y H X S+ 0 0 139 -4,-3.4 4,-1.4 -5,-0.2 -1,-0.2 0.846 114.4 46.8 -58.3 -37.9 4.4 12.0 21.0 12 13 A D H X S+ 0 0 104 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.949 110.6 48.8 -72.0 -49.9 7.5 14.1 21.4 13 14 A E H X S+ 0 0 17 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.878 108.6 56.9 -58.0 -37.1 9.1 13.3 18.0 14 15 A N H < S+ 0 0 29 -4,-2.4 3,-0.4 -5,-0.2 -1,-0.2 0.931 110.3 44.4 -59.5 -45.1 5.7 14.1 16.4 15 16 A Q H < S+ 0 0 92 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.769 117.5 42.8 -72.1 -29.9 5.8 17.5 17.9 16 17 A K H < S+ 0 0 49 -4,-1.9 2,-0.4 1,-0.1 -1,-0.2 0.486 109.8 50.6 -99.5 -4.0 9.4 18.4 17.1 17 18 A Y < - 0 0 68 -4,-1.3 2,-0.6 -3,-0.4 -1,-0.1 -0.989 54.1-161.9-141.1 136.0 9.8 17.1 13.5 18 19 A D - 0 0 68 -2,-0.4 245,-2.6 -3,-0.1 246,-0.2 -0.906 19.0-141.0-117.9 107.1 8.0 17.5 10.2 19 20 A V E +A 262 0A 4 -2,-0.6 243,-0.3 243,-0.3 248,-0.1 -0.352 33.7 158.6 -60.4 136.8 8.7 15.0 7.5 20 21 A C E + 0 0 6 241,-2.8 12,-0.8 1,-0.3 2,-0.3 0.530 45.2 0.3-142.8 -7.7 8.8 16.7 4.1 21 22 A G E -AB 261 31A 0 240,-1.5 240,-2.8 10,-0.2 2,-0.5 -0.998 58.0-100.4-173.6 170.3 10.6 14.9 1.4 22 23 A I E -AB 260 30A 0 8,-2.8 8,-2.8 -2,-0.3 2,-0.4 -0.881 40.4-155.7 -99.0 132.1 12.6 12.0 -0.1 23 24 A I E -AB 259 29A 0 236,-3.1 235,-2.9 -2,-0.5 236,-1.4 -0.876 2.2-143.3-115.3 144.7 16.3 12.8 -0.3 24 25 A S E > -A 257 0A 0 4,-2.0 3,-2.1 -2,-0.4 233,-0.3 -0.612 30.6-108.4 -97.4 165.2 18.9 11.3 -2.7 25 26 A A T 3 S+ 0 0 29 231,-2.4 232,-0.1 1,-0.3 362,-0.1 0.739 123.0 56.9 -62.9 -21.9 22.5 10.5 -1.9 26 27 A E T 3 S- 0 0 91 230,-0.2 -1,-0.3 2,-0.1 231,-0.1 0.418 123.5-105.9 -87.9 -3.5 23.3 13.4 -4.1 27 28 A G S < S+ 0 0 14 -3,-2.1 2,-0.3 1,-0.3 123,-0.3 0.554 71.6 142.1 90.4 6.9 21.2 15.8 -2.0 28 29 A K - 0 0 41 121,-0.1 -4,-2.0 119,-0.0 2,-0.5 -0.679 38.9-146.6 -84.7 137.3 18.3 16.2 -4.4 29 30 A I E -BC 23 148A 7 119,-2.7 119,-2.6 -2,-0.3 -6,-0.2 -0.908 9.2-162.3-113.1 127.0 14.8 16.4 -2.6 30 31 A Y E -B 22 0A 0 -8,-2.8 -8,-2.8 -2,-0.5 117,-0.1 -0.901 27.2-119.3-107.1 122.2 11.6 15.0 -4.0 31 32 A P E -B 21 0A 4 0, 0.0 -10,-0.2 0, 0.0 255,-0.1 -0.144 30.1-112.5 -57.3 153.1 8.3 16.3 -2.4 32 33 A L - 0 0 6 -12,-0.8 2,-0.3 121,-0.4 248,-0.0 -0.193 21.7-118.4 -83.9 172.5 5.9 14.0 -0.7 33 34 A G - 0 0 0 2,-0.1 -1,-0.1 122,-0.0 6,-0.1 -0.765 12.3-133.9-107.1 161.7 2.4 12.9 -1.6 34 35 A S + 0 0 50 -2,-0.3 106,-0.2 4,-0.1 2,-0.1 0.361 68.6 101.9-100.0 6.8 -0.7 13.5 0.4 35 36 A D S > S- 0 0 52 1,-0.1 4,-2.3 104,-0.1 3,-0.4 -0.463 78.7-113.9 -90.8 162.4 -2.4 10.1 0.2 36 37 A T H > S+ 0 0 27 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.872 110.6 62.4 -62.8 -38.7 -2.4 7.4 2.9 37 38 A K H > S+ 0 0 57 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.901 113.2 37.8 -53.7 -42.0 -0.4 4.8 1.0 38 39 A V H > S+ 0 0 6 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.971 120.2 44.2 -72.6 -56.1 2.6 7.3 1.0 39 40 A L H X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 5,-0.2 0.829 108.6 55.6 -62.2 -36.7 2.1 8.7 4.5 40 41 A S H X S+ 0 0 41 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.924 110.2 48.2 -63.5 -39.7 1.5 5.4 6.2 41 42 A T H X S+ 0 0 15 -4,-0.9 4,-1.8 -5,-0.4 -2,-0.2 0.925 114.1 46.8 -63.9 -42.7 4.8 4.2 4.8 42 43 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.930 108.5 53.6 -64.9 -50.8 6.5 7.5 6.0 43 44 A F H X S+ 0 0 8 -4,-3.4 4,-1.8 1,-0.2 -1,-0.2 0.827 108.9 50.4 -56.9 -34.3 5.0 7.4 9.5 44 45 A E H X S+ 0 0 28 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.930 111.4 46.7 -69.4 -45.2 6.3 3.8 10.0 45 46 A L H < S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.844 112.2 52.3 -64.2 -30.9 9.8 4.8 8.9 46 47 A F H < S+ 0 0 10 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.869 112.1 45.8 -70.4 -38.3 9.5 7.9 11.2 47 48 A S H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 3,-0.4 0.785 93.6 81.1 -75.2 -32.1 8.6 5.6 14.1 48 49 A R H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.877 92.9 42.9 -45.1 -57.8 11.3 2.9 13.5 49 50 A P H > S+ 0 0 13 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.850 115.0 51.5 -62.9 -32.5 14.3 4.7 15.2 50 51 A I H > S+ 0 0 13 -4,-0.5 4,-2.4 -3,-0.4 5,-0.3 0.930 110.4 47.9 -67.6 -46.8 12.2 5.8 18.2 51 52 A I H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.951 113.7 47.4 -58.4 -50.1 10.8 2.3 18.8 52 53 A N H X S+ 0 0 42 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.872 111.6 51.7 -59.6 -40.9 14.3 0.8 18.6 53 54 A K H X S+ 0 0 150 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.987 114.3 40.2 -60.1 -60.4 15.7 3.4 20.9 54 55 A I H X S+ 0 0 15 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.882 115.3 53.4 -56.9 -42.3 13.1 2.9 23.7 55 56 A A H ><>S+ 0 0 0 -4,-2.7 5,-3.0 -5,-0.3 3,-1.3 0.948 109.6 46.5 -58.9 -51.5 13.2 -0.9 23.2 56 57 A E H ><5S+ 0 0 71 -4,-2.5 3,-2.3 1,-0.3 -1,-0.2 0.895 106.1 60.6 -58.8 -39.3 17.0 -1.1 23.6 57 58 A K H 3<5S+ 0 0 135 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.748 110.8 40.9 -60.0 -26.6 16.7 1.2 26.6 58 59 A H T <<5S- 0 0 54 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.158 122.3-106.1-106.2 14.0 14.5 -1.5 28.2 59 60 A G T < 5S+ 0 0 43 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.738 72.4 142.9 69.4 25.0 16.7 -4.3 27.0 60 61 A Y < - 0 0 41 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.768 45.6-137.6 -99.2 141.1 14.2 -5.4 24.3 61 62 A I E -F 77 0B 42 16,-2.9 16,-1.7 -2,-0.3 2,-0.4 -0.738 17.8-143.7 -91.3 146.5 15.4 -6.7 20.9 62 63 A V E -F 76 0B 35 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.954 18.5-178.2-114.0 133.9 13.3 -5.4 17.9 63 64 A E E -F 75 0B 67 12,-2.1 12,-2.5 -2,-0.4 58,-0.1 -0.999 8.9-160.4-135.1 129.7 12.6 -7.6 14.9 64 65 A E - 0 0 70 -2,-0.4 10,-0.2 10,-0.2 9,-0.1 -0.696 40.5 -80.9-102.5 159.4 10.7 -6.6 11.8 65 66 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.235 24.3-145.8 -59.4 151.1 9.1 -9.2 9.4 66 67 A K S S+ 0 0 111 1,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.338 85.6 37.4 -95.8 2.8 11.4 -10.9 6.8 67 68 A Q S > S- 0 0 54 3,-0.1 3,-1.0 1,-0.0 -1,-0.1 -0.991 83.2-116.7-153.4 151.3 8.5 -10.9 4.3 68 69 A Q T 3 S+ 0 0 88 -2,-0.3 -1,-0.0 1,-0.2 205,-0.0 0.715 104.5 60.5 -62.4 -26.9 5.6 -8.6 3.3 69 70 A N T 3 S+ 0 0 124 51,-0.0 2,-0.4 2,-0.0 -1,-0.2 0.024 86.1 97.1 -97.5 32.5 2.7 -10.8 4.3 70 71 A H < - 0 0 77 -3,-1.0 50,-0.3 2,-0.1 49,-0.1 -0.958 66.6-116.4-123.2 137.9 3.5 -11.1 8.0 71 72 A Y B S+j 120 0C 18 48,-2.5 50,-2.6 -2,-0.4 51,-0.2 -0.722 71.3 50.1-100.4 150.8 2.2 -9.2 11.0 72 73 A P - 0 0 1 0, 0.0 17,-0.2 0, 0.0 3,-0.1 0.702 55.6-144.7-102.4 178.5 3.4 -7.2 13.1 73 74 A D S S+ 0 0 35 1,-0.2 2,-0.4 -9,-0.1 16,-0.2 0.902 93.0 16.1 -61.8 -42.6 5.5 -4.3 12.0 74 75 A F E - G 0 88B 0 14,-2.0 14,-2.9 -10,-0.2 2,-0.5 -0.999 64.1-161.9-138.9 132.5 7.7 -4.7 15.1 75 76 A T E -FG 63 87B 0 -12,-2.5 -12,-2.1 -2,-0.4 2,-0.4 -0.974 14.7-167.2-113.0 120.0 8.2 -7.6 17.4 76 77 A L E +FG 62 86B 0 10,-3.0 10,-2.8 -2,-0.5 2,-0.3 -0.940 17.0 153.2-111.1 134.0 9.8 -6.7 20.8 77 78 A Y E -F 61 0B 54 -16,-1.7 -16,-2.9 -2,-0.4 8,-0.1 -0.987 38.7-129.0-159.1 148.4 11.1 -9.3 23.2 78 79 A K > - 0 0 69 3,-0.4 3,-1.3 -2,-0.3 6,-0.2 -0.748 30.0-124.6 -93.3 142.2 13.6 -9.8 26.0 79 80 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.858 113.2 55.6 -55.7 -33.4 15.8 -12.9 25.6 80 81 A S T 3 S+ 0 0 88 1,-0.2 3,-0.1 2,-0.1 -3,-0.0 0.675 109.8 45.9 -71.8 -20.9 14.7 -13.9 29.1 81 82 A E X + 0 0 55 -3,-1.3 3,-1.9 1,-0.1 -3,-0.4 -0.505 60.1 158.6-124.2 67.1 11.0 -13.8 28.1 82 83 A P T 3 S+ 0 0 61 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.708 79.9 48.4 -61.7 -22.4 10.6 -15.5 24.7 83 84 A N T 3 S+ 0 0 98 1,-0.2 -6,-0.0 -3,-0.1 -3,-0.0 0.093 98.6 68.7-107.0 22.4 6.9 -16.1 25.4 84 85 A K S < S+ 0 0 113 -3,-1.9 43,-0.2 -6,-0.2 -1,-0.2 -0.327 70.1 158.2-129.2 46.5 6.1 -12.5 26.4 85 86 A K E - h 0 127B 7 41,-2.8 43,-2.3 -3,-0.3 44,-1.1 -0.344 32.4-141.9 -72.8 153.5 6.6 -10.9 23.0 86 87 A I E -Gh 76 129B 8 -10,-2.8 -10,-3.0 41,-0.2 2,-0.5 -0.986 5.9-152.6-122.0 121.5 5.1 -7.5 22.3 87 88 A A E -Gh 75 130B 0 42,-2.6 44,-3.4 -2,-0.5 2,-0.5 -0.813 11.2-171.3 -92.2 127.7 3.6 -6.8 18.8 88 89 A I E -Gh 74 131B 0 -14,-2.9 -14,-2.0 -2,-0.5 2,-0.4 -0.992 6.3-172.7-122.4 120.2 3.7 -3.1 17.9 89 90 A D E - h 0 132B 12 42,-2.6 44,-2.7 -2,-0.5 2,-0.5 -0.961 16.8-140.0-120.7 131.0 1.8 -2.3 14.7 90 91 A I E + h 0 133B 15 -2,-0.4 2,-0.4 42,-0.2 44,-0.2 -0.757 25.9 176.7 -90.0 128.2 1.8 1.1 12.9 91 92 A K E - h 0 134B 30 42,-2.3 44,-2.8 -2,-0.5 2,-0.3 -0.989 6.8-168.1-133.9 142.9 -1.6 2.1 11.5 92 93 A T E + h 0 135B 25 -2,-0.4 2,-0.3 42,-0.2 13,-0.2 -0.936 13.4 158.7-133.6 150.2 -2.7 5.3 9.7 93 94 A T E - h 0 136B 28 42,-1.7 44,-1.5 -2,-0.3 2,-0.3 -0.930 24.9-130.5-154.8 171.6 -5.9 7.0 8.6 94 95 A Y E - h 0 137B 81 -2,-0.3 2,-0.3 42,-0.2 44,-0.2 -0.774 4.4-148.0-129.8 175.8 -6.9 10.5 7.7 95 96 A T E - h 0 138B 7 42,-1.9 44,-2.5 -2,-0.3 3,-0.1 -0.977 12.2-148.5-140.1 143.3 -9.4 13.2 8.3 96 97 A N S S+ 0 0 107 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.892 95.3 23.8 -78.8 -43.0 -10.6 15.9 5.9 97 98 A K S > S- 0 0 48 41,-0.1 3,-1.3 1,-0.0 -1,-0.3 -0.937 102.6 -98.9-120.5 140.1 -11.2 18.4 8.7 98 99 A E T 3 S+ 0 0 66 -2,-0.4 -2,-0.0 1,-0.2 40,-0.0 -0.280 104.1 24.4 -58.7 147.2 -9.3 18.1 12.0 99 100 A N T 3 S+ 0 0 64 1,-0.2 -1,-0.2 -4,-0.0 3,-0.1 0.484 86.6 135.8 75.5 8.3 -11.2 16.4 14.9 100 101 A E < - 0 0 83 -3,-1.3 89,-0.4 1,-0.1 -1,-0.2 -0.268 65.9 -80.8 -76.6 171.0 -13.6 14.4 12.7 101 102 A K - 0 0 111 87,-0.1 2,-0.3 85,-0.1 87,-0.2 -0.398 51.6-167.1 -71.6 152.8 -14.4 10.8 13.5 102 103 A I B -K 187 0D 5 85,-2.5 85,-1.7 -2,-0.1 2,-0.3 -0.878 12.4-166.5-138.5 165.4 -11.9 8.2 12.4 103 104 A K - 0 0 42 -2,-0.3 2,-0.3 83,-0.2 -9,-0.1 -0.977 7.0-153.9-152.0 150.1 -11.6 4.4 11.9 104 105 A F - 0 0 7 81,-0.4 80,-2.1 -2,-0.3 2,-0.7 -0.931 22.4-121.9-126.7 156.1 -8.8 2.0 11.3 105 106 A T E -L 183 0E 70 -2,-0.3 2,-0.4 -13,-0.2 78,-0.2 -0.866 27.0-158.6 -96.2 113.7 -8.5 -1.4 9.8 106 107 A L E - 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0 0 0 -75,-3.2 -76,-2.8 -2,-0.3 2,-0.4 -0.518 35.6-136.9 -73.0 142.7 -11.2 -6.3 12.0 183 190 A G E -L 105 0E 4 -10,-0.3 -12,-2.9 -78,-0.2 -78,-0.2 -0.829 9.0-135.7-105.4 146.7 -12.6 -2.8 12.2 184 191 A S B -N 170 0F 12 -80,-2.1 -11,-0.3 -2,-0.4 -14,-0.2 -0.249 42.0 -74.8 -85.2-178.8 -11.8 -0.4 15.0 185 192 A I - 0 0 15 -16,-2.2 2,-0.8 -14,-0.2 -81,-0.4 -0.373 43.7-124.0 -68.3 159.7 -14.4 1.8 16.8 186 193 A H + 0 0 130 -83,-0.1 2,-0.3 -3,-0.1 -83,-0.2 -0.926 65.5 118.4-108.2 99.3 -15.6 4.7 14.6 187 194 A A B -K 102 0D 11 -85,-1.7 -85,-2.5 -2,-0.8 2,-0.1 -0.904 65.3 -70.7-153.7 178.1 -14.8 7.6 17.0 188 195 A H >> - 0 0 81 -2,-0.3 3,-1.7 -87,-0.2 4,-0.9 -0.444 52.9-102.2 -77.3 155.3 -12.8 10.7 17.8 189 196 A Y H >> S+ 0 0 50 -89,-0.4 4,-2.0 1,-0.3 3,-1.0 0.831 118.5 60.3 -43.1 -47.2 -9.1 10.6 18.5 190 197 A K H 3> S+ 0 0 101 1,-0.3 4,-3.2 2,-0.2 -1,-0.3 0.798 97.5 59.0 -56.9 -32.6 -9.6 11.0 22.3 191 198 A D H <>>S+ 0 0 34 -3,-1.7 5,-2.6 2,-0.2 4,-1.1 0.836 106.0 48.5 -67.6 -31.2 -11.6 7.8 22.4 192 199 A F H <<5S+ 0 0 0 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.930 113.4 47.4 -71.8 -44.3 -8.7 5.8 21.0 193 200 A V H <5S+ 0 0 67 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.949 117.3 42.2 -60.5 -47.7 -6.4 7.5 23.6 194 201 A E H <5S- 0 0 134 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.672 110.3-123.3 -75.7 -14.7 -8.8 6.8 26.4 195 202 A G T <5 + 0 0 22 -4,-1.1 2,-1.7 -5,-0.2 -3,-0.2 0.858 46.4 165.8 74.7 39.4 -9.6 3.2 25.2 196 203 A K < + 0 0 57 -5,-2.6 -1,-0.1 -6,-0.1 -27,-0.1 -0.419 21.5 145.2 -86.4 62.3 -13.3 3.6 24.9 197 204 A G - 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0 0 4 -4,-0.3 2,-0.2 -3,-0.3 12,-0.1 -0.652 61.4-130.1 -77.8 127.1 -17.5 -13.4 12.9 213 220 A E - 0 0 61 10,-0.4 6,-0.1 -2,-0.4 -2,-0.1 -0.553 13.7-120.2 -78.4 152.9 -18.8 -14.6 9.5 214 221 A R S S+ 0 0 136 -2,-0.2 2,-0.3 4,-0.1 -34,-0.1 0.690 85.6 40.5 -68.3 -21.6 -17.4 -13.1 6.3 215 222 A T S > S- 0 0 68 1,-0.1 4,-2.9 0, 0.0 5,-0.2 -0.890 78.3-117.0-132.2 159.4 -20.6 -11.7 4.8 216 223 A S H > S+ 0 0 67 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.876 114.4 61.0 -57.2 -36.8 -23.8 -9.9 5.8 217 224 A Q H > S+ 0 0 77 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.961 111.1 36.1 -54.2 -60.6 -25.7 -13.0 4.6 218 225 A L H >4 S+ 0 0 91 1,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.914 116.1 53.5 -61.8 -44.6 -24.0 -15.3 7.0 219 226 A R H >< S+ 0 0 43 -4,-2.9 3,-1.9 1,-0.3 -1,-0.2 0.811 94.7 74.2 -61.8 -26.3 -23.8 -12.8 9.8 220 227 A N H 3< S+ 0 0 83 -4,-2.2 -1,-0.3 -3,-0.3 -2,-0.2 0.798 103.6 36.6 -56.4 -33.1 -27.6 -12.3 9.3 221 228 A D T << S+ 0 0 100 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.150 131.3 25.8-108.7 19.3 -28.2 -15.7 11.0 222 229 A K S < S- 0 0 39 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.2 0.294 119.3 -42.8-138.4 -88.3 -25.5 -15.5 13.7 223 230 A Y + 0 0 1 -5,-0.1 -10,-0.4 1,-0.1 -2,-0.1 -0.914 35.6 177.3-159.6 135.2 -24.3 -12.0 14.8 224 231 A N S S+ 0 0 29 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.1 0.408 76.5 18.4-113.0 -7.3 -23.5 -8.8 13.0 225 232 A N S > S- 0 0 47 -6,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.937 89.6 -87.6-153.7 176.2 -22.7 -6.6 16.1 226 233 A I H > S+ 0 0 16 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.898 120.2 52.5 -60.9 -45.3 -21.8 -6.9 19.8 227 234 A S H > S+ 0 0 88 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 112.3 46.3 -59.1 -43.3 -25.4 -7.0 21.1 228 235 A E H > S+ 0 0 79 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.860 110.5 53.4 -67.0 -36.8 -26.2 -9.9 18.8 229 236 A Y H X S+ 0 0 11 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.920 108.4 49.3 -63.3 -44.2 -23.0 -11.6 19.7 230 237 A R H X S+ 0 0 85 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.854 112.1 48.8 -65.0 -31.9 -23.8 -11.4 23.4 231 238 A N H X S+ 0 0 84 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.930 110.7 50.6 -70.5 -44.0 -27.3 -12.8 22.6 232 239 A W H X>S+ 0 0 23 -4,-2.8 5,-2.6 1,-0.2 4,-0.5 0.895 113.6 46.1 -58.4 -41.9 -25.6 -15.6 20.6 233 240 A I H ><5S+ 0 0 61 -4,-2.6 3,-1.3 3,-0.2 -2,-0.2 0.927 109.4 53.8 -66.9 -48.0 -23.4 -16.3 23.6 234 241 A Y H 3<5S+ 0 0 206 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.901 108.3 50.7 -54.6 -44.1 -26.3 -16.1 26.1 235 242 A R H 3<5S- 0 0 139 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.579 129.7 -90.0 -71.0 -16.8 -28.1 -18.8 24.1 236 243 A G T <<5 0 0 58 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.703 360.0 360.0 110.8 27.4 -25.2 -21.2 23.9 237 244 A R < 0 0 131 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.931 360.0 360.0 60.9 360.0 -23.4 -20.2 20.7 238 !* 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 0.0 239 2 B S > 0 0 89 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 176.7 7.7 12.8 -28.8 240 3 B L H > + 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.959 360.0 49.4 -59.6 -47.4 6.2 13.0 -25.3 241 4 B R H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.936 113.3 42.2 -59.0 -54.1 6.8 9.3 -25.0 242 5 B S H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.884 116.5 48.9 -62.8 -40.8 10.4 9.2 -26.1 243 6 B D H X S+ 0 0 35 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.894 110.1 52.9 -66.2 -38.6 11.3 12.3 -24.1 244 7 B L H X S+ 0 0 2 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.943 112.3 41.7 -64.4 -48.7 9.6 10.9 -21.0 245 8 B I H X S+ 0 0 24 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.810 113.5 53.5 -70.4 -28.8 11.5 7.6 -21.0 246 9 B N H X S+ 0 0 87 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.937 112.5 45.7 -66.9 -42.7 14.8 9.4 -21.9 247 10 B A H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.891 112.5 50.1 -65.4 -42.4 14.1 11.6 -18.8 248 11 B L H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.913 111.0 49.2 -64.7 -42.0 13.2 8.6 -16.6 249 12 B Y H X S+ 0 0 76 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.964 113.4 46.0 -61.6 -51.0 16.3 6.7 -17.6 250 13 B D H X S+ 0 0 102 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.893 112.4 49.6 -59.6 -43.6 18.6 9.7 -16.9 251 14 B E H X S+ 0 0 26 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.911 111.4 50.4 -64.2 -38.3 17.0 10.5 -13.6 252 15 B N H < S+ 0 0 25 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.865 112.8 46.6 -67.2 -36.7 17.4 6.8 -12.6 253 16 B Q H < S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.847 116.3 44.4 -71.3 -38.1 21.1 6.9 -13.6 254 17 B K H < S+ 0 0 70 -4,-2.4 2,-0.4 -5,-0.2 -2,-0.2 0.698 109.6 46.8 -83.3 -24.9 21.8 10.1 -11.8 255 18 B Y < - 0 0 63 -4,-1.8 2,-0.6 -5,-0.2 -1,-0.1 -0.970 51.2-161.8-132.2 145.1 20.1 9.9 -8.4 256 19 B D - 0 0 47 -2,-0.4 -231,-2.4 -3,-0.0 -230,-0.2 -0.923 19.9-141.3-120.9 106.4 19.8 7.4 -5.6 257 20 B V E +A 24 0A 3 -2,-0.6 -233,-0.3 -233,-0.3 3,-0.1 -0.431 32.5 161.0 -63.3 134.2 16.9 7.9 -3.1 258 21 B C E - 0 0 0 -235,-2.9 12,-0.6 1,-0.3 2,-0.3 0.435 48.7 -6.8-137.4 -2.7 18.2 7.1 0.3 259 22 B G E -AD 23 269A 0 -236,-1.4 -236,-3.1 10,-0.2 2,-0.5 -0.995 59.8 -95.1-179.7 171.4 15.9 8.6 3.0 260 23 B I E -AD 22 268A 1 8,-2.8 8,-2.9 -2,-0.3 2,-0.4 -0.922 39.0-154.9-103.5 127.4 13.1 10.8 4.2 261 24 B I E -AD 21 267A 8 -240,-2.8 -241,-2.8 -2,-0.5 -240,-1.5 -0.831 1.2-146.4-109.3 141.1 14.1 14.2 5.3 262 25 B S E > -A 19 0A 3 4,-2.0 3,-2.2 -2,-0.4 -243,-0.3 -0.610 32.3-106.0 -96.3 164.9 12.3 16.5 7.8 263 26 B A T 3 S+ 0 0 56 -245,-2.6 -244,-0.1 1,-0.3 -1,-0.1 0.716 121.9 58.2 -62.0 -20.3 12.1 20.3 7.7 264 27 B E T 3 S- 0 0 91 -246,-0.2 -1,-0.3 2,-0.1 -245,-0.1 0.402 121.7-106.7 -89.3 -2.5 14.6 20.3 10.6 265 28 B G S < S+ 0 0 24 -3,-2.2 118,-0.5 1,-0.3 2,-0.4 0.528 73.2 137.5 91.3 4.9 17.2 18.4 8.6 266 29 B K - 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