==== 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 LIGASE/DNA 16-FEB-07 2OWO . COMPND 2 MOLECULE: 26-MER; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.SHUMAN,J.NANDAKUMAR,P.A.NAIR . 586 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 45 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 4 0 3 0 2 0 3 1 2 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 0 3 0 3 2 2 2 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 . 1 3 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 1 A M 0 0 211 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -14.2 39.5 -15.9 37.1 2 2 A E - 0 0 58 1,-0.1 5,-0.1 2,-0.1 0, 0.0 -0.546 360.0 -97.7 -76.6 138.3 36.6 -18.3 37.8 3 3 A S > - 0 0 62 -2,-0.2 4,-1.3 3,-0.1 3,-0.3 -0.007 31.4-104.8 -55.4 157.8 36.3 -21.2 35.3 4 4 A I H >> S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 3,-0.5 0.868 116.9 51.1 -49.0 -53.6 33.9 -21.2 32.3 5 5 A E H 3> S+ 0 0 104 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.879 111.0 50.2 -57.0 -39.6 31.3 -23.7 33.7 6 6 A Q H 3> S+ 0 0 91 -3,-0.3 4,-0.9 1,-0.2 -1,-0.3 0.761 111.2 49.4 -70.2 -27.1 31.1 -21.6 36.9 7 7 A Q H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 3,-0.6 0.943 111.6 47.9 -57.2 -50.8 27.8 -19.9 32.7 9 9 A T H 3X S+ 0 0 69 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.775 108.0 54.7 -64.3 -29.2 25.9 -21.1 35.8 10 10 A E H 3X S+ 0 0 106 -4,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.764 110.5 46.6 -77.1 -22.7 26.2 -17.8 37.6 11 11 A L H S+ 0 0 55 -4,-2.1 5,-2.7 -5,-0.2 -1,-0.2 0.948 112.4 36.3 -55.9 -52.0 8.8 -11.3 36.9 23 23 A H H ><5S+ 0 0 120 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.937 117.0 52.9 -67.2 -49.7 6.2 -14.0 37.5 24 24 A V H 3<5S+ 0 0 81 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.953 113.8 38.6 -51.0 -64.7 6.0 -13.7 41.3 25 25 A M T 3<5S- 0 0 132 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.520 109.4-125.1 -68.2 -3.1 5.3 -9.9 41.5 26 26 A D T < 5 - 0 0 137 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.963 45.0-172.9 55.6 53.0 3.1 -10.4 38.4 27 27 A A < - 0 0 27 -5,-2.7 -1,-0.1 -6,-0.3 3,-0.1 -0.342 35.4-134.4 -78.8 158.6 5.2 -7.7 36.6 28 28 A P S S- 0 0 108 0, 0.0 39,-0.3 0, 0.0 2,-0.3 0.700 86.4 -21.4 -82.1 -23.0 4.4 -6.2 33.2 29 29 A E S S- 0 0 41 37,-0.1 39,-0.3 -7,-0.1 38,-0.1 -0.900 82.2 -77.0-165.3-173.3 8.1 -6.6 32.2 30 30 A I B -a 68 0A 6 37,-1.7 39,-2.4 -2,-0.3 5,-0.2 -0.826 37.5-164.4-107.4 89.9 11.6 -6.9 33.7 31 31 A P + 0 0 83 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.526 60.8 102.6 -49.1 -11.8 12.3 -3.3 34.9 32 32 A D > - 0 0 56 1,-0.2 3,-1.8 -14,-0.1 4,-0.5 -0.715 59.5-161.0 -85.9 117.1 16.0 -4.3 35.2 33 33 A A T 3> S+ 0 0 42 -2,-0.6 4,-0.9 1,-0.3 39,-0.2 0.535 89.8 75.5 -69.9 -3.3 18.1 -3.1 32.3 34 34 A E H 3> S+ 0 0 98 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.395 79.3 68.3 -89.7 2.8 20.4 -5.9 33.6 35 35 A Y H <> S+ 0 0 9 -3,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.883 102.9 41.6 -86.5 -43.1 18.3 -8.7 32.2 36 36 A D H > S+ 0 0 23 -4,-0.5 4,-2.0 33,-0.4 -2,-0.2 0.855 115.9 52.5 -70.0 -34.2 19.1 -7.9 28.5 37 37 A R H X S+ 0 0 76 -4,-0.9 4,-2.0 2,-0.2 5,-0.2 0.955 109.2 46.7 -65.7 -52.4 22.7 -7.3 29.4 38 38 A L H X S+ 0 0 14 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.898 110.1 56.6 -57.4 -40.8 23.2 -10.6 31.2 39 39 A M H X S+ 0 0 14 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.925 107.7 45.0 -58.9 -47.6 21.5 -12.3 28.3 40 40 A R H X S+ 0 0 33 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.845 111.3 54.6 -68.3 -28.8 23.9 -11.0 25.8 41 41 A E H X S+ 0 0 72 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.865 109.2 48.1 -68.7 -35.2 26.8 -11.9 28.1 42 42 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.899 111.2 50.6 -69.8 -41.9 25.5 -15.5 28.3 43 43 A R H X S+ 0 0 42 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.894 109.0 51.3 -63.3 -41.2 25.2 -15.6 24.5 44 44 A E H X S+ 0 0 52 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.918 114.1 43.2 -63.6 -41.8 28.8 -14.3 24.1 45 45 A L H X S+ 0 0 28 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.847 115.0 50.9 -72.0 -34.5 30.1 -17.0 26.4 46 46 A E H >< S+ 0 0 3 -4,-2.5 3,-0.6 2,-0.2 6,-0.3 0.931 106.4 50.3 -69.8 -48.1 27.9 -19.7 24.9 47 47 A T H 3< S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.777 110.6 54.5 -61.6 -24.1 28.8 -19.2 21.3 48 48 A K H 3< S+ 0 0 129 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.806 120.1 30.6 -76.7 -31.3 32.4 -19.3 22.5 49 49 A H X< + 0 0 41 -4,-1.0 3,-2.5 -3,-0.6 -1,-0.3 -0.617 68.2 170.7-129.1 71.3 31.7 -22.7 24.1 50 50 A P T 3 S+ 0 0 85 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.628 80.1 58.1 -55.6 -16.6 29.1 -24.4 22.0 51 51 A E T 3 S+ 0 0 135 1,-0.2 -4,-0.1 -3,-0.1 -5,-0.1 0.584 98.2 59.3 -91.3 -11.7 29.7 -27.6 23.9 52 52 A L S < S+ 0 0 43 -3,-2.5 2,-0.5 -6,-0.3 -1,-0.2 0.097 78.2 115.2-103.0 21.3 28.8 -26.0 27.3 53 53 A I - 0 0 57 -3,-0.5 -45,-0.0 -7,-0.1 -7,-0.0 -0.799 51.8-153.6 -95.0 129.5 25.3 -25.0 26.3 54 54 A T > - 0 0 51 -2,-0.5 3,-1.2 1,-0.1 6,-0.2 -0.739 21.8-128.8-101.8 150.5 22.4 -26.6 28.2 55 55 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.635 111.4 57.1 -69.9 -12.1 18.9 -27.2 26.8 56 56 A D T 3 S+ 0 0 130 5,-0.1 -3,-0.0 3,-0.0 5,-0.0 0.547 80.6 119.3 -92.5 -11.7 17.6 -25.5 29.9 57 57 A S S X S- 0 0 3 -3,-1.2 3,-2.5 1,-0.1 -4,-0.0 -0.253 74.4-124.0 -58.9 140.4 19.6 -22.3 29.4 58 58 A P G > S+ 0 0 7 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.693 109.9 70.3 -57.5 -19.0 17.5 -19.1 29.0 59 59 A T G 3 S+ 0 0 29 1,-0.3 -2,-0.1 -5,-0.1 -3,-0.0 0.682 92.3 56.3 -72.4 -19.4 19.3 -18.7 25.6 60 60 A Q G < S+ 0 0 93 -3,-2.5 -1,-0.3 -6,-0.2 -3,-0.0 -0.100 85.1 178.0-101.5 31.7 17.3 -21.6 24.3 61 61 A R < - 0 0 93 -3,-1.1 2,-1.5 1,-0.1 4,-0.1 -0.119 23.9-143.7 -43.1 111.3 14.1 -19.7 25.3 62 62 A V - 0 0 140 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.617 64.7 -29.5 -84.3 83.9 11.2 -21.9 24.2 63 63 A G S S+ 0 0 58 -2,-1.5 2,-0.1 2,-0.0 0, 0.0 -0.575 115.1 4.0 106.1-171.0 8.7 -19.3 23.0 64 64 A A - 0 0 69 -2,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.277 68.6-146.1 -54.5 118.6 7.9 -15.7 24.0 65 65 A A - 0 0 46 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.504 32.1 -85.1 -84.2 156.8 10.5 -14.4 26.5 66 66 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 -0.355 49.5-103.8 -64.0 139.3 9.4 -11.9 29.3 67 67 A L - 0 0 36 -39,-0.3 -37,-1.7 -3,-0.1 2,-0.3 -0.309 45.3-171.3 -60.9 145.0 9.6 -8.3 28.3 68 68 A A B -a 30 0A 10 142,-0.4 3,-0.1 -39,-0.3 -35,-0.1 -1.000 26.2 -94.7-145.8 146.3 12.6 -6.4 29.7 69 69 A A - 0 0 20 -39,-2.4 -33,-0.4 -2,-0.3 2,-0.2 -0.070 53.0 -91.4 -53.7 153.2 13.8 -2.8 29.9 70 70 A F - 0 0 53 138,-0.1 2,-0.2 -34,-0.1 -1,-0.1 -0.489 44.1-167.4 -72.9 135.5 16.3 -1.6 27.3 71 71 A S - 0 0 9 73,-0.4 73,-2.8 -2,-0.2 2,-0.3 -0.490 15.4-113.5-110.1-178.5 20.0 -2.0 28.0 72 72 A Q E -B 143 0B 88 71,-0.3 2,-0.4 -39,-0.2 71,-0.2 -0.832 14.5-155.6-123.2 160.7 23.0 -0.5 26.3 73 73 A I E -B 142 0B 16 69,-3.1 69,-2.9 -2,-0.3 2,-0.3 -0.998 15.6-134.1-136.9 133.1 26.0 -1.7 24.2 74 74 A R E -B 141 0B 180 -2,-0.4 2,-0.7 67,-0.2 67,-0.3 -0.628 12.9-139.7 -88.0 140.9 29.4 -0.1 23.8 75 75 A H - 0 0 3 65,-4.1 4,-0.1 -2,-0.3 -1,-0.0 -0.890 8.0-165.6-100.9 112.3 31.0 0.2 20.4 76 76 A E S S+ 0 0 141 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.0 0.979 89.3 45.5 -57.2 -52.0 34.7 -0.5 20.5 77 77 A V S S- 0 0 50 -3,-0.1 -1,-0.2 1,-0.1 152,-0.1 -0.817 105.5-112.7 -93.4 122.9 34.9 1.1 17.0 78 78 A P - 0 0 63 0, 0.0 2,-0.9 0, 0.0 62,-0.2 -0.135 11.0-138.9 -55.6 143.2 32.9 4.3 16.8 79 79 A M + 0 0 11 60,-2.0 149,-0.0 57,-0.3 41,-0.0 -0.874 42.9 172.2-102.9 94.1 29.7 4.6 14.7 80 80 A L - 0 0 62 -2,-0.9 226,-0.2 1,-0.2 2,-0.1 -0.025 26.2-102.3 -91.1-163.3 30.4 8.1 13.3 81 81 A S - 0 0 33 224,-2.9 2,-0.3 -2,-0.0 -1,-0.2 -0.289 26.4-112.0-108.8-167.0 28.8 10.3 10.7 82 82 A L - 0 0 45 224,-0.2 2,-0.3 -2,-0.1 229,-0.1 -0.988 20.7-121.4-134.8 141.8 29.5 11.3 7.1 83 83 A D E -c 311 0C 62 227,-0.6 229,-2.4 224,-0.4 2,-0.3 -0.667 37.7-131.0 -79.6 135.6 30.5 14.6 5.6 84 84 A N E -c 312 0C 73 -2,-0.3 2,-0.4 227,-0.2 229,-0.2 -0.652 22.3-172.2 -95.8 147.7 28.0 15.7 3.0 85 85 A V E -c 313 0C 7 227,-2.5 229,-1.6 -2,-0.3 3,-0.1 -0.989 3.2-175.6-131.9 138.2 28.4 16.9 -0.6 86 86 A F + 0 0 109 -2,-0.4 2,-0.3 227,-0.2 -1,-0.1 0.510 62.3 28.4-113.3 -9.9 25.5 18.3 -2.6 87 87 A D S > S- 0 0 72 1,-0.1 4,-2.0 228,-0.1 5,-0.2 -0.966 83.4 -96.9-150.1 166.0 26.9 19.0 -6.1 88 88 A E H > S+ 0 0 106 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.796 121.3 51.0 -52.8 -35.5 29.5 17.9 -8.6 89 89 A E H > S+ 0 0 158 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 106.4 53.1 -70.8 -44.5 31.9 20.7 -7.5 90 90 A S H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.887 111.4 48.6 -56.6 -39.5 31.6 19.8 -3.8 91 91 A F H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.895 107.3 53.4 -68.3 -41.6 32.6 16.2 -4.8 92 92 A L H X S+ 0 0 77 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.843 107.7 52.5 -62.3 -32.3 35.5 17.4 -6.9 93 93 A A H X S+ 0 0 44 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.940 109.9 48.0 -67.6 -45.2 36.8 19.3 -3.9 94 94 A F H X S+ 0 0 5 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.920 111.4 50.9 -58.5 -45.5 36.5 16.1 -1.9 95 95 A N H X S+ 0 0 33 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.903 109.4 50.5 -59.3 -42.6 38.3 14.2 -4.6 96 96 A K H X S+ 0 0 135 -4,-2.4 4,-3.5 1,-0.2 5,-0.3 0.922 108.7 52.2 -62.8 -44.1 41.1 16.8 -4.6 97 97 A R H X S+ 0 0 122 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.910 111.1 46.0 -58.6 -45.7 41.4 16.5 -0.8 98 98 A V H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.907 119.3 42.3 -63.7 -43.4 41.8 12.7 -1.0 99 99 A Q H < S+ 0 0 70 -4,-2.4 5,-0.2 2,-0.2 -2,-0.2 0.984 112.3 50.2 -67.0 -60.6 44.3 13.0 -3.9 100 100 A D H < S+ 0 0 112 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.839 114.9 48.2 -48.4 -36.8 46.3 15.9 -2.6 101 101 A R H < S+ 0 0 129 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.998 95.6 76.5 -68.4 -71.3 46.6 14.0 0.7 102 102 A L S < S- 0 0 14 -4,-2.1 2,-1.1 -5,-0.2 4,-0.1 -0.005 83.1-126.4 -41.9 138.9 47.7 10.6 -0.5 103 103 A K S S- 0 0 160 1,-0.2 -1,-0.1 2,-0.1 -3,-0.1 -0.744 72.9 -49.2 -97.1 91.8 51.3 10.3 -1.6 104 104 A N S S+ 0 0 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-1,-0.2 -0.736 20.1-140.4 -92.2 96.7 22.2 12.5 33.3 452 452 A D T 3 S+ 0 0 85 -2,-1.1 47,-0.2 1,-0.2 48,-0.1 -0.239 82.7 24.5 -56.1 136.4 19.2 10.4 32.1 453 453 A G T 3 S+ 0 0 67 1,-0.2 2,-0.9 46,-0.1 -1,-0.2 0.186 87.9 116.2 96.2 -18.1 15.9 11.9 32.9 454 454 A M < + 0 0 19 -3,-1.8 2,-0.2 -10,-0.2 -1,-0.2 -0.766 40.8 155.0 -91.2 103.9 17.0 15.5 33.1 455 455 A G > - 0 0 31 -2,-0.9 4,-2.3 -3,-0.1 5,-0.3 -0.558 58.8 -78.1-118.9-176.1 15.3 17.4 30.4 456 456 A D H > S+ 0 0 96 1,-0.2 4,-2.4 -2,-0.2 5,-0.1 0.857 124.4 49.2 -48.4 -45.7 14.2 21.0 29.5 457 457 A K H > S+ 0 0 183 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 112.2 43.0 -64.9 -51.5 11.1 20.8 31.7 458 458 A I H > S+ 0 0 16 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.880 118.2 48.0 -64.3 -37.5 12.7 19.5 35.0 459 459 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 5,-0.3 0.897 108.5 53.8 -69.1 -42.5 15.6 21.9 34.5 460 460 A D H X S+ 0 0 63 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.939 112.0 44.3 -57.3 -48.7 13.4 24.9 33.8 461 461 A Q H X S+ 0 0 21 -4,-2.1 4,-2.8 1,-0.2 6,-0.2 0.853 110.5 54.3 -66.0 -36.8 11.5 24.3 37.0 462 462 A L H <>S+ 0 0 0 -4,-1.8 5,-2.8 1,-0.2 6,-1.3 0.852 115.4 39.6 -66.0 -35.6 14.6 23.7 39.1 463 463 A V H ><5S+ 0 0 3 -4,-2.0 3,-1.0 3,-0.2 -2,-0.2 0.810 114.3 54.7 -81.5 -32.5 16.0 27.0 37.9 464 464 A E H 3<5S+ 0 0 116 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.930 111.3 43.1 -67.1 -45.7 12.7 28.7 38.2 465 465 A K T 3<5S- 0 0 96 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.155 113.0-120.1 -86.6 19.8 12.2 27.7 41.8 466 466 A E T < 5S+ 0 0 98 -3,-1.0 -3,-0.2 1,-0.1 -4,-0.1 0.814 72.5 133.8 46.0 39.2 15.8 28.6 42.5 467 467 A Y < + 0 0 71 -5,-2.8 2,-0.4 -6,-0.2 -4,-0.2 0.805 68.4 37.6 -83.8 -31.4 16.6 25.1 43.6 468 468 A V + 0 0 1 -6,-1.3 -1,-0.2 -9,-0.1 -2,-0.1 -0.944 49.4 163.3-123.7 143.5 19.8 24.9 41.6 469 469 A H S S+ 0 0 106 1,-0.4 -1,-0.1 -2,-0.4 -6,-0.0 0.546 72.6 16.2-127.0 -26.9 22.4 27.7 40.9 470 470 A T S >> S- 0 0 43 1,-0.1 3,-1.4 102,-0.0 4,-0.7 -0.954 86.0 -95.3-145.8 162.8 25.4 25.7 39.7 471 471 A P G >4 S+ 0 0 23 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.856 120.8 62.3 -47.0 -40.1 26.2 22.2 38.3 472 472 A A G >4 S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.866 92.7 62.8 -56.7 -39.4 27.2 21.2 41.8 473 473 A D G X> S+ 0 0 24 -3,-1.4 3,-1.0 1,-0.3 4,-0.8 0.751 87.6 72.9 -60.0 -24.2 23.7 21.8 43.1 474 474 A L G << S+ 0 0 0 -3,-1.4 3,-0.3 -4,-0.7 -1,-0.3 0.839 99.2 45.9 -59.6 -32.7 22.3 19.1 40.8 475 475 A F G <4 S+ 0 0 21 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.528 102.0 64.0 -89.3 -6.7 23.9 16.4 43.1 476 476 A K T <4 S+ 0 0 98 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.631 80.8 109.0 -87.4 -16.2 22.6 18.0 46.3 477 477 A L < - 0 0 16 -4,-0.8 2,-0.3 -3,-0.3 3,-0.0 -0.280 54.3-159.3 -62.1 143.9 19.1 17.3 45.2 478 478 A T > - 0 0 80 1,-0.1 4,-1.8 18,-0.0 3,-0.3 -0.849 31.4-109.8-122.9 160.9 17.1 14.6 47.0 479 479 A A H > S+ 0 0 21 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.889 115.9 61.3 -55.8 -40.4 14.0 12.6 46.1 480 480 A G H > S+ 0 0 59 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.914 107.5 41.3 -54.1 -48.1 12.1 14.5 48.7 481 481 A K H 4 S+ 0 0 107 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.811 117.3 48.3 -73.1 -28.9 12.6 17.9 47.1 482 482 A L H >< S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.876 98.1 68.6 -77.4 -38.3 12.1 16.6 43.6 483 483 A T H 3< S+ 0 0 49 -4,-3.2 5,-0.2 1,-0.3 -1,-0.2 0.794 93.6 59.5 -51.1 -33.0 8.9 14.7 44.4 484 484 A G T 3< S+ 0 0 61 -4,-0.7 -1,-0.3 -5,-0.2 2,-0.3 -0.007 87.8 105.2 -89.6 31.7 7.1 18.0 44.9 485 485 A L S X S- 0 0 11 -3,-1.5 3,-1.9 1,-0.1 -27,-0.1 -0.741 83.1 -83.7-110.9 159.8 7.7 19.2 41.4 486 486 A E T 3 S+ 0 0 151 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 -0.318 116.2 2.6 -57.9 136.4 5.4 19.6 38.4 487 487 A R T 3 S+ 0 0 249 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.776 111.5 121.0 54.0 28.1 5.2 16.3 36.5 488 488 A M < + 0 0 35 -3,-1.9 -1,-0.2 -5,-0.2 -5,-0.1 -0.833 35.0 165.9-119.4 157.6 7.4 14.8 39.2 489 489 A G > - 0 0 14 -2,-0.3 4,-3.4 1,-0.1 5,-0.3 -0.951 47.2 -79.6-158.8 178.2 6.8 11.9 41.5 490 490 A P H > S+ 0 0 99 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.960 126.3 29.7 -50.0 -67.0 8.2 9.3 44.0 491 491 A K H > S+ 0 0 155 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.887 121.3 55.1 -64.4 -37.8 9.7 6.8 41.6 492 492 A S H > S+ 0 0 49 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.893 109.2 46.8 -61.6 -41.5 10.3 9.5 39.0 493 493 A A H X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.869 110.6 53.5 -69.3 -35.8 12.3 11.5 41.6 494 494 A Q H X S+ 0 0 82 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.855 103.5 55.6 -67.2 -35.9 14.2 8.3 42.6 495 495 A N H X S+ 0 0 89 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.886 108.3 49.7 -64.5 -36.8 15.2 7.6 39.0 496 496 A V H X S+ 0 0 4 -4,-1.3 4,-3.0 2,-0.2 5,-0.2 0.928 109.8 48.7 -66.8 -48.0 16.8 11.1 38.8 497 497 A V H X S+ 0 0 38 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.911 114.2 48.4 -58.6 -41.1 18.8 10.7 42.0 498 498 A N H X S+ 0 0 84 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.912 111.9 47.7 -65.2 -44.5 20.0 7.4 40.7 499 499 A A H X S+ 0 0 13 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.890 112.3 50.2 -64.3 -39.9 20.9 8.8 37.3 500 500 A L H X S+ 0 0 4 -4,-3.0 4,-0.7 2,-0.2 -2,-0.2 0.942 111.3 48.4 -63.6 -46.6 22.7 11.7 39.0 501 501 A E H >< S+ 0 0 114 -4,-2.5 3,-1.5 1,-0.2 4,-0.4 0.942 112.1 48.3 -58.2 -49.9 24.6 9.3 41.2 502 502 A K H >< S+ 0 0 132 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.812 104.0 62.9 -60.5 -31.3 25.6 7.1 38.3 503 503 A A H 3< S+ 0 0 8 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.666 79.5 84.6 -69.6 -17.3 26.7 10.2 36.4 504 504 A K T << S+ 0 0 27 -3,-1.5 78,-2.2 -4,-0.7 2,-0.8 0.861 77.3 73.9 -53.4 -38.0 29.4 10.9 39.0 505 505 A E B < S+v 582 0L 132 -3,-0.9 78,-0.2 -4,-0.4 2,-0.1 -0.699 70.1 131.7 -81.9 109.5 31.7 8.6 37.1 506 506 A T - 0 0 9 76,-2.5 2,-0.3 -2,-0.8 -57,-0.1 -0.384 51.4 -95.4-131.8-150.4 32.8 10.4 34.0 507 507 A T > - 0 0 57 76,-0.2 4,-2.4 -2,-0.1 5,-0.2 -0.908 28.8-114.1-135.8 160.8 35.9 11.2 32.0 508 508 A F H > S+ 0 0 17 -2,-0.3 4,-3.0 76,-0.3 5,-0.2 0.942 116.9 52.4 -61.7 -46.4 38.2 14.2 32.0 509 509 A A H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 112.1 43.6 -57.1 -44.9 37.1 15.0 28.4 510 510 A R H > S+ 0 0 57 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.897 113.9 50.9 -70.1 -40.6 33.4 14.9 29.1 511 511 A F H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.946 110.9 48.6 -60.2 -49.1 33.8 16.9 32.3 512 512 A L H <>S+ 0 0 1 -4,-3.0 5,-0.6 1,-0.2 4,-0.4 0.923 114.9 45.3 -56.5 -46.7 35.8 19.5 30.5 513 513 A Y H ><5S+ 0 0 36 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.911 108.1 57.1 -64.0 -43.9 33.1 19.7 27.8 514 514 A A H 3<5S+ 0 0 4 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.788 94.4 68.4 -59.7 -27.8 30.3 19.8 30.4 515 515 A L T 3<5S- 0 0 23 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.729 99.2-136.7 -64.7 -23.9 31.9 22.9 31.9 516 516 A G T < 5 - 0 0 23 -3,-1.7 2,-0.3 -4,-0.4 -3,-0.1 0.924 27.7-174.8 68.5 47.2 31.0 24.9 28.8 517 517 A I > < - 0 0 2 -5,-0.6 3,-3.0 3,-0.3 -1,-0.2 -0.590 41.2 -89.4 -76.4 134.3 34.2 26.8 28.3 518 518 A R T 3 S- 0 0 87 -2,-0.3 -1,-0.1 1,-0.3 45,-0.1 -0.136 109.3 -1.7 -47.5 126.6 33.9 29.3 25.5 519 519 A E T 3 S+ 0 0 126 1,-0.2 2,-1.0 -3,-0.1 -1,-0.3 0.458 102.3 119.9 68.5 2.4 34.9 27.7 22.2 520 520 A V < + 0 0 2 -3,-3.0 -3,-0.3 4,-0.1 -4,-0.2 -0.766 37.4 161.8-102.1 92.3 35.7 24.5 23.9 521 521 A G > - 0 0 28 -2,-1.0 4,-2.8 -5,-0.1 5,-0.2 -0.157 57.8 -71.2 -93.0-167.2 33.4 21.9 22.4 522 522 A E H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.854 130.6 46.5 -57.2 -40.9 33.6 18.1 22.4 523 523 A A H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 116.9 42.2 -70.1 -45.6 36.6 17.9 20.1 524 524 A T H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.852 111.2 57.2 -69.9 -34.2 38.7 20.6 21.8 525 525 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.944 109.3 45.5 -61.1 -45.9 37.7 19.2 25.2 526 526 A A H X S+ 0 0 44 -4,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.886 111.9 52.0 -64.7 -39.0 39.2 15.9 24.2 527 527 A G H X S+ 0 0 28 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.922 112.5 44.2 -64.3 -44.0 42.3 17.5 22.8 528 528 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.4 0.900 114.2 51.3 -66.6 -40.7 43.0 19.4 25.9 529 529 A A H X S+ 0 0 8 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.934 111.5 45.3 -62.6 -49.2 42.2 16.4 28.1 530 530 A A H < S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.793 114.4 51.5 -65.9 -29.4 44.6 14.1 26.2 531 531 A Y H < S+ 0 0 111 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.934 122.6 24.2 -75.4 -49.5 47.3 16.8 26.2 532 532 A F H < S- 0 0 31 -4,-2.5 2,-1.7 -5,-0.1 5,-0.2 0.698 81.1-159.4 -91.4 -20.9 47.4 17.7 29.9 533 533 A G < + 0 0 19 -4,-2.3 2,-0.3 -5,-0.4 -1,-0.1 -0.010 66.6 58.5 70.2 -36.9 46.0 14.5 31.3 534 534 A T S > S- 0 0 58 -2,-1.7 4,-1.8 51,-0.1 5,-0.1 -0.949 79.6-126.6-130.8 150.2 45.1 16.1 34.6 535 535 A L H > S+ 0 0 20 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.735 110.8 58.4 -60.9 -21.7 42.8 19.0 35.7 536 536 A E H > S+ 0 0 130 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.983 104.4 43.5 -73.6 -59.0 45.9 20.3 37.5 537 537 A A H 4 S+ 0 0 44 -5,-0.2 4,-0.3 1,-0.2 3,-0.3 0.848 114.2 56.2 -55.2 -34.4 48.3 20.7 34.6 538 538 A L H >< S+ 0 0 1 -4,-1.8 3,-2.1 1,-0.2 -1,-0.2 0.985 108.9 40.4 -62.6 -62.1 45.5 22.2 32.6 539 539 A E H 3< S+ 0 0 60 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.510 114.3 57.3 -68.3 -1.9 44.5 25.0 34.8 540 540 A A T 3< S+ 0 0 78 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.439 85.3 108.4-104.0 -5.0 48.1 25.7 35.5 541 541 A A < - 0 0 6 -3,-2.1 2,-0.2 -4,-0.3 -3,-0.0 -0.426 64.2-132.4 -76.1 148.0 48.9 26.1 31.8 542 542 A S > - 0 0 39 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.549 25.9-107.9 -94.2 163.2 49.8 29.5 30.4 543 543 A I H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.898 122.6 52.1 -56.3 -41.2 48.3 31.0 27.2 544 544 A E H 4 S+ 0 0 160 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.875 114.2 41.3 -64.7 -37.9 51.6 30.4 25.5 545 545 A E H >4 S+ 0 0 99 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.793 108.8 59.9 -80.5 -26.9 51.7 26.8 26.6 546 546 A L H >< S+ 0 0 1 -4,-2.9 3,-1.6 1,-0.3 -2,-0.2 0.866 96.9 61.7 -66.2 -35.4 48.0 26.3 25.8 547 547 A Q T 3< S+ 0 0 79 -4,-1.7 -1,-0.3 1,-0.3 5,-0.2 0.494 88.8 72.2 -70.6 -1.0 48.8 27.3 22.2 548 548 A K T < S+ 0 0 130 -3,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.732 76.5 96.0 -83.3 -24.4 51.1 24.2 22.1 549 549 A V S X S- 0 0 3 -3,-1.6 3,-1.5 -4,-0.4 -21,-0.1 -0.423 92.0 -98.9 -66.4 137.2 48.0 22.0 22.0 550 550 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.305 104.5 11.7 -61.4 139.9 47.0 21.0 18.5 551 551 A D T 3 S+ 0 0 156 1,-0.2 2,-0.5 -4,-0.1 -3,-0.1 0.679 101.0 118.5 67.7 20.4 44.2 23.0 16.9 552 552 A V < + 0 0 13 -3,-1.5 -1,-0.2 -5,-0.2 2,-0.1 -0.964 34.4 165.4-122.6 117.5 44.4 25.6 19.7 553 553 A G > - 0 0 35 -2,-0.5 4,-2.9 -3,-0.1 5,-0.2 -0.302 55.4 -69.0-111.1-163.0 45.2 29.2 19.0 554 554 A I H > S+ 0 0 97 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.864 125.8 55.4 -62.0 -38.8 45.0 32.5 20.9 555 555 A V H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.969 117.6 34.6 -60.4 -52.3 41.2 32.7 20.9 556 556 A V H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.927 116.8 54.8 -66.9 -46.2 40.8 29.2 22.5 557 557 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.937 111.3 45.4 -51.5 -51.3 43.9 29.5 24.7 558 558 A S H X S+ 0 0 40 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.905 111.3 51.2 -61.3 -46.4 42.7 32.8 26.2 559 559 A H H X S+ 0 0 62 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.917 113.9 45.1 -58.8 -43.3 39.2 31.6 26.8 560 560 A V H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 3,-0.3 0.956 115.1 47.9 -64.4 -49.3 40.6 28.5 28.6 561 561 A H H X S+ 0 0 71 -4,-3.0 4,-1.7 -5,-0.3 -2,-0.2 0.921 112.8 47.2 -57.8 -48.1 43.1 30.6 30.5 562 562 A N H < S+ 0 0 98 -4,-3.3 4,-0.4 1,-0.2 -1,-0.2 0.751 107.4 60.6 -66.9 -23.3 40.5 33.2 31.6 563 563 A F H >< S+ 0 0 30 -4,-1.3 3,-1.0 -3,-0.3 6,-0.3 0.964 111.3 34.8 -69.9 -52.3 38.1 30.4 32.6 564 564 A F H 3< S+ 0 0 6 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.750 105.5 72.6 -74.3 -21.3 40.3 28.9 35.2 565 565 A A T 3< S+ 0 0 54 -4,-1.7 2,-0.5 -5,-0.3 -1,-0.2 0.699 83.5 88.2 -65.6 -16.6 41.7 32.3 36.2 566 566 A E <> - 0 0 99 -3,-1.0 4,-1.7 -4,-0.4 3,-0.1 -0.729 69.0-152.6 -90.0 127.5 38.3 32.9 37.8 567 567 A E H > S+ 0 0 144 -2,-0.5 4,-2.2 1,-0.2 5,-0.3 0.894 94.9 66.7 -59.6 -41.1 37.8 31.8 41.4 568 568 A S H >> S+ 0 0 71 1,-0.3 4,-1.3 2,-0.2 3,-0.5 0.932 105.8 39.3 -43.2 -60.9 34.1 31.4 40.6 569 569 A N H 3> S+ 0 0 29 -6,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.843 108.3 64.0 -61.7 -36.3 34.8 28.5 38.3 570 570 A R H 3X S+ 0 0 120 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.884 107.7 41.5 -56.3 -40.7 37.5 27.1 40.6 571 571 A N H S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 4,-0.7 0.904 111.8 46.8 -61.8 -41.5 31.6 19.1 41.8 577 577 A L H ><5S+ 0 0 72 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.904 112.4 50.3 -66.0 -40.9 34.6 17.0 42.9 578 578 A A H 3<5S+ 0 0 80 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.887 104.0 59.1 -62.7 -39.8 33.5 17.3 46.5 579 579 A E H 3<5S- 0 0 44 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.715 131.8 -93.6 -62.4 -21.6 30.0 16.2 45.4 580 580 A G T <<5S+ 0 0 27 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.208 73.7 148.2 128.4 -16.3 31.7 13.0 44.1 581 581 A V < + 0 0 3 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.3 -0.249 22.5 150.6 -53.6 131.6 32.4 13.7 40.4 582 582 A H B -v 505 0L 90 -78,-2.2 -76,-2.5 -75,-0.0 -71,-0.0 -0.977 26.3-160.0-157.4 167.9 35.6 11.9 39.3 583 583 A W - 0 0 42 -2,-0.3 -76,-0.2 -78,-0.2 2,-0.2 -0.975 39.9 -72.0-151.9 162.1 37.3 10.2 36.4 584 584 A P - 0 0 90 0, 0.0 -76,-0.3 0, 0.0 -2,-0.0 -0.365 46.9-131.3 -60.4 123.8 40.0 7.7 35.5 585 585 A A 0 0 88 -2,-0.2 -51,-0.1 1,-0.1 -52,-0.0 -0.530 360.0 360.0 -74.3 142.7 43.5 9.1 36.2 586 586 A P 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -52,-0.0 -0.390 360.0 360.0 -67.4 360.0 45.9 8.7 33.3