==== 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 HYDROLASE 16-APR-04 1VK2 . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE TM0511; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.2 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 0.5 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 . 8 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 3 0 0 0 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 . 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 X 0 0 234 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -74.8 51.7 14.3 101.2 2 2 A Y - 0 0 156 4,-0.0 2,-0.1 3,-0.0 3,-0.0 -0.951 360.0-148.7-147.8 125.0 52.5 14.5 97.5 3 3 A T > - 0 0 65 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.459 31.4-110.1 -89.2 163.6 54.2 17.4 95.6 4 4 A R H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.899 121.8 55.9 -52.5 -41.9 53.7 18.5 92.0 5 5 A E H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 108.5 45.0 -60.7 -45.2 57.2 17.2 91.4 6 6 A E H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.867 112.4 52.1 -66.2 -38.8 56.3 13.7 92.7 7 7 A L H X S+ 0 0 54 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.908 110.5 48.1 -63.3 -41.6 53.0 13.7 90.8 8 8 A X H X S+ 0 0 19 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.862 108.8 53.6 -67.3 -36.2 54.9 14.6 87.6 9 9 A E H X S+ 0 0 109 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.895 107.1 52.5 -66.2 -38.2 57.5 11.8 88.3 10 10 A I H X S+ 0 0 79 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.943 110.1 47.7 -61.1 -46.5 54.5 9.3 88.6 11 11 A V H X S+ 0 0 13 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.946 111.6 51.5 -54.9 -50.5 53.2 10.5 85.2 12 12 A S H X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.920 109.8 47.9 -57.4 -44.2 56.7 10.1 83.8 13 13 A E H X S+ 0 0 89 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.903 112.4 49.6 -66.2 -37.3 57.2 6.5 85.1 14 14 A R H X S+ 0 0 170 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.905 110.3 50.5 -66.2 -40.1 53.8 5.5 83.7 15 15 A V H >< S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.953 107.6 53.4 -61.1 -48.1 54.6 7.0 80.3 16 16 A K H 3< S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.797 114.1 42.8 -58.1 -30.5 57.9 5.1 80.3 17 17 A K H 3< S+ 0 0 124 -4,-1.3 -1,-0.3 -3,-0.2 2,-0.2 0.421 90.3 122.4 -90.7 -5.3 56.0 1.8 80.9 18 18 A C << + 0 0 34 -3,-1.6 3,-0.1 -4,-0.5 -3,-0.0 -0.441 22.8 159.4 -72.1 132.1 53.2 2.7 78.5 19 19 A T + 0 0 98 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.1 -0.019 35.6 123.9-129.0 27.5 52.3 0.3 75.6 20 20 A A S S+ 0 0 67 84,-0.1 -1,-0.1 2,-0.0 -2,-0.0 0.578 76.1 26.2 -71.3 -14.0 48.7 1.6 75.0 21 21 A C S > S- 0 0 27 -3,-0.1 3,-1.3 83,-0.1 4,-0.2 -0.931 89.8-100.3-142.8 168.7 49.4 2.5 71.3 22 22 A P G > S+ 0 0 82 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.638 105.6 80.5 -66.0 -16.7 51.7 1.3 68.5 23 23 A L G >> S+ 0 0 2 1,-0.3 3,-1.6 2,-0.2 4,-1.4 0.776 76.8 72.0 -64.1 -24.7 54.1 4.3 68.9 24 24 A H G <4 S+ 0 0 54 -3,-1.3 -1,-0.3 1,-0.3 66,-0.1 0.766 91.6 59.0 -60.2 -25.0 55.8 2.5 71.9 25 25 A L G <4 S+ 0 0 143 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.658 110.2 41.5 -74.8 -19.2 57.3 0.1 69.4 26 26 A N T <4 S+ 0 0 45 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.739 91.5 92.5 -99.2 -32.0 59.1 3.0 67.5 27 27 A R < - 0 0 56 -4,-1.4 3,-0.1 1,-0.1 62,-0.1 -0.418 49.3-161.1 -81.5 145.8 60.5 5.4 70.1 28 28 A T S S+ 0 0 95 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.845 85.6 5.8 -78.8 -46.2 64.0 5.4 71.7 29 29 A N S S- 0 0 66 24,-0.1 61,-0.4 59,-0.1 -1,-0.3 -0.999 76.4-120.0-138.3 140.8 62.9 7.6 74.6 30 30 A V - 0 0 13 -2,-0.4 2,-0.6 -3,-0.1 59,-0.2 -0.432 24.2-142.8 -69.7 156.3 59.5 8.9 75.7 31 31 A V + 0 0 1 57,-2.2 54,-0.2 1,-0.2 26,-0.1 -0.911 24.5 172.5-126.8 98.8 59.4 12.7 75.8 32 32 A V - 0 0 15 -2,-0.6 53,-0.4 24,-0.5 2,-0.2 0.948 45.1 -89.3 -75.8 -47.8 57.3 13.8 78.7 33 33 A G - 0 0 20 23,-0.4 2,-0.3 51,-0.2 -1,-0.2 -0.770 37.1-135.8 142.8 159.6 57.6 17.6 79.0 34 34 A E E +A 83 0A 58 49,-2.0 49,-2.3 -2,-0.2 2,-0.3 -0.993 42.2 40.0-152.9 149.3 59.9 20.1 80.7 35 35 A G E S+A 82 0A 36 -2,-0.3 2,-0.5 47,-0.2 47,-0.3 -0.869 83.3 6.2 123.9-144.7 60.1 23.3 82.6 36 36 A N > - 0 0 52 45,-2.0 3,-1.5 42,-0.3 -2,-0.1 -0.564 41.7-160.9 -86.9 115.0 58.4 25.1 85.4 37 37 A L T 3 S+ 0 0 20 -2,-0.5 -1,-0.1 1,-0.3 45,-0.1 0.559 93.8 54.6 -69.4 -7.7 55.6 23.3 87.3 38 38 A D T 3 S+ 0 0 96 43,-0.1 -1,-0.3 42,-0.1 -2,-0.1 0.121 79.1 130.9-110.4 18.8 54.3 26.6 88.6 39 39 A T < - 0 0 8 -3,-1.5 42,-0.1 1,-0.1 3,-0.1 -0.363 52.1-150.5 -66.6 149.2 54.0 28.3 85.2 40 40 A R S S+ 0 0 124 78,-0.2 80,-1.8 1,-0.1 79,-1.8 0.436 84.1 54.4 -91.6 -2.8 50.7 30.0 84.4 41 41 A I E -b 120 0A 7 77,-0.2 41,-1.0 78,-0.2 2,-0.4 -0.999 65.7-168.3-139.4 125.5 51.2 29.3 80.7 42 42 A V E -bc 121 82A 1 78,-1.8 80,-2.7 -2,-0.4 2,-0.5 -0.923 11.4-147.4-113.9 139.0 51.8 25.9 79.0 43 43 A F E -bc 122 83A 0 39,-2.6 41,-2.4 -2,-0.4 2,-0.5 -0.952 16.8-169.3-107.9 131.5 52.9 25.3 75.4 44 44 A V E +bc 123 84A 0 78,-2.8 80,-3.4 -2,-0.5 41,-0.3 -0.976 8.2 173.1-129.3 121.6 51.6 22.1 73.7 45 45 A G E - c 0 85A 0 39,-2.5 41,-1.9 -2,-0.5 42,-0.1 -0.252 41.7 -91.1-108.6-160.6 52.7 20.7 70.4 46 46 A E S S- 0 0 50 1,-0.3 41,-1.9 39,-0.2 39,-0.1 0.951 74.4 -63.4 -85.2 -58.8 52.1 17.5 68.4 47 47 A G - 0 0 18 39,-0.2 -1,-0.3 38,-0.1 41,-0.1 -0.974 64.4 -51.5 178.0 176.0 54.7 14.9 69.4 48 48 A P - 0 0 5 0, 0.0 2,-0.1 0, 0.0 46,-0.1 -0.403 39.0-161.8 -73.9 146.7 58.5 14.2 69.3 49 49 A G > - 0 0 19 41,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.306 48.0 -72.3-100.2-163.9 60.7 14.4 66.3 50 50 A E H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.881 130.4 44.4 -61.7 -45.3 64.2 12.8 66.0 51 51 A E H > S+ 0 0 94 2,-0.2 4,-1.3 1,-0.2 6,-0.3 0.868 113.9 51.6 -72.3 -38.0 66.2 15.1 68.3 52 52 A E H >>S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 5,-0.6 0.939 110.3 49.7 -58.3 -47.3 63.4 14.9 71.0 53 53 A D H <5S+ 0 0 7 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.891 110.6 49.4 -61.7 -38.5 63.5 11.1 70.7 54 54 A K H <5S+ 0 0 93 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.784 123.3 30.5 -70.5 -29.7 67.3 10.9 71.1 55 55 A T H <5S- 0 0 77 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.647 95.9-126.0-108.9 -17.3 67.3 13.2 74.2 56 56 A G T <5S+ 0 0 27 -4,-2.7 -24,-0.5 1,-0.3 -23,-0.4 0.535 74.4 115.4 75.7 10.1 64.0 12.6 76.0 57 57 A R < - 0 0 115 -5,-0.6 3,-0.4 -6,-0.3 -1,-0.3 -0.883 65.2-118.0-120.1 145.4 63.4 16.4 75.8 58 58 A P S S+ 0 0 1 0, 0.0 -26,-0.0 0, 0.0 25,-0.0 -0.433 85.2 5.3 -83.2 148.3 60.7 18.4 74.0 59 59 A F S S+ 0 0 8 -2,-0.1 9,-0.1 1,-0.1 8,-0.0 0.891 80.5 129.1 49.0 58.5 61.4 21.0 71.3 60 60 A V + 0 0 37 -3,-0.4 -1,-0.1 4,-0.1 2,-0.0 0.522 52.4 73.3-116.3 -12.0 65.1 20.5 71.0 61 61 A G S > S- 0 0 3 3,-0.0 4,-2.5 4,-0.0 5,-0.2 0.031 110.7 -62.0 -83.1-156.6 65.4 20.1 67.2 62 62 A R H > S+ 0 0 176 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.902 136.4 47.4 -62.3 -43.9 65.0 22.8 64.6 63 63 A A H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.874 112.6 52.5 -64.3 -35.4 61.4 23.6 65.4 64 64 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.889 105.3 51.1 -69.7 -39.3 62.3 23.8 69.0 65 65 A X H X S+ 0 0 86 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.893 111.6 50.3 -64.7 -37.4 65.2 26.2 68.5 66 66 A L H X S+ 0 0 21 -4,-2.0 4,-2.4 -5,-0.2 3,-0.2 0.943 107.8 53.1 -62.3 -43.2 62.8 28.4 66.6 67 67 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.912 103.8 56.4 -57.8 -46.0 60.3 28.1 69.4 68 68 A T H X S+ 0 0 37 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.894 109.5 46.6 -50.6 -41.0 63.0 29.2 71.8 69 69 A E H X S+ 0 0 73 -4,-1.5 4,-2.3 -3,-0.2 -2,-0.2 0.881 108.7 53.1 -75.6 -37.5 63.4 32.4 69.7 70 70 A L H X S+ 0 0 3 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.942 111.7 47.6 -58.7 -42.8 59.7 33.1 69.5 71 71 A L H ><>S+ 0 0 1 -4,-2.7 5,-2.8 1,-0.2 3,-1.2 0.951 110.5 50.9 -63.1 -48.8 59.5 32.9 73.3 72 72 A R H ><5S+ 0 0 156 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.887 109.7 50.0 -54.4 -42.5 62.5 35.2 73.7 73 73 A E H 3<5S+ 0 0 95 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.615 110.0 52.2 -74.0 -14.2 60.9 37.7 71.4 74 74 A S T <<5S- 0 0 15 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.244 123.6-106.8 -97.4 7.9 57.7 37.4 73.5 75 75 A G T < 5S+ 0 0 62 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.793 77.9 130.9 74.1 32.2 59.7 38.1 76.6 76 76 A I < - 0 0 19 -5,-2.8 2,-0.4 -8,-0.1 -1,-0.2 -0.956 48.9-147.7-125.1 129.6 59.6 34.5 77.9 77 77 A R >> - 0 0 149 -2,-0.5 3,-1.5 1,-0.1 4,-0.6 -0.805 18.9-135.3 -88.4 132.3 62.4 32.3 79.1 78 78 A R G >4 S+ 0 0 31 -2,-0.4 3,-1.1 1,-0.3 -42,-0.3 0.834 104.9 60.5 -54.6 -36.0 61.8 28.6 78.3 79 79 A E G 34 S+ 0 0 117 1,-0.2 -1,-0.3 -44,-0.1 -43,-0.2 0.754 100.4 55.6 -62.5 -27.6 62.9 27.7 81.9 80 80 A D G <4 S+ 0 0 74 -3,-1.5 -1,-0.2 -45,-0.1 -2,-0.2 0.606 109.0 48.2 -84.8 -13.0 60.0 29.8 83.3 81 81 A V S << S- 0 0 5 -3,-1.1 -45,-2.0 -4,-0.6 2,-0.4 -0.547 81.7-112.3-117.6-178.5 57.2 27.9 81.3 82 82 A Y E -Ac 35 42A 4 -41,-1.0 -39,-2.6 -47,-0.3 2,-0.4 -0.977 26.4-168.5-122.4 136.5 56.2 24.3 80.6 83 83 A I E +Ac 34 43A 3 -49,-2.3 -49,-2.0 -2,-0.4 2,-0.2 -0.975 21.2 135.1-131.2 130.3 56.4 22.7 77.2 84 84 A C E - c 0 44A 2 -41,-2.4 -39,-2.5 -2,-0.4 2,-0.3 -0.872 34.5-119.2-158.4-168.9 55.0 19.3 76.2 85 85 A N E - c 0 45A 4 -53,-0.4 -39,-0.2 -41,-0.3 -38,-0.1 -0.914 25.7-113.3-144.9 162.1 53.0 17.5 73.4 86 86 A V S S+ 0 0 1 -41,-1.9 2,-0.4 -2,-0.3 23,-0.3 0.896 105.3 39.1 -66.5 -43.8 49.9 15.6 72.8 87 87 A V - 0 0 1 -41,-1.9 -42,-0.1 -42,-0.1 -1,-0.1 -0.864 64.5-157.8-114.6 147.8 51.8 12.3 72.2 88 88 A K S S+ 0 0 2 -2,-0.4 -57,-2.2 -41,-0.1 2,-0.4 0.603 71.7 66.8 -96.1 -18.4 54.8 11.1 74.1 89 89 A C S S- 0 0 16 -59,-0.2 -59,-0.1 -62,-0.1 -65,-0.1 -0.906 83.3-115.5-113.9 136.0 56.4 8.7 71.6 90 90 A R - 0 0 36 -2,-0.4 -41,-0.1 -61,-0.4 -64,-0.1 -0.485 32.5-130.8 -68.5 124.9 58.0 9.6 68.2 91 91 A P > - 0 0 4 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.379 36.2 -83.8 -69.0 151.6 56.0 8.1 65.2 92 92 A P G > S+ 0 0 43 0, 0.0 3,-2.0 0, 0.0 -65,-0.0 -0.309 116.0 2.5 -51.3 134.7 57.9 6.1 62.5 93 93 A N G 3 S- 0 0 147 1,-0.3 -43,-0.0 -3,-0.1 -44,-0.0 0.673 122.2 -80.3 57.5 21.3 59.3 8.6 59.9 94 94 A N G < S+ 0 0 68 -3,-2.1 -1,-0.3 1,-0.1 -47,-0.0 0.770 80.2 168.4 57.0 28.8 57.9 11.4 62.0 95 95 A R < - 0 0 94 -3,-2.0 -1,-0.1 1,-0.1 3,-0.1 -0.219 47.3 -86.7 -66.5 159.5 54.5 10.9 60.6 96 96 A T - 0 0 86 1,-0.1 -1,-0.1 -49,-0.0 2,-0.1 -0.461 51.0-107.8 -57.6 136.4 51.5 12.7 62.2 97 97 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.504 39.0-112.0 -65.6 145.5 50.2 10.5 65.0 98 98 A T > - 0 0 47 -2,-0.1 4,-2.7 1,-0.1 3,-0.2 -0.346 24.8-107.7 -73.9 158.9 46.8 9.0 64.1 99 99 A P H > S+ 0 0 88 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.873 122.8 54.8 -52.6 -36.3 43.7 10.1 65.9 100 100 A E H > S+ 0 0 137 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.886 109.3 46.8 -66.9 -40.3 43.7 6.7 67.7 101 101 A E H > S+ 0 0 5 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.936 111.5 50.5 -68.4 -41.9 47.2 7.3 69.0 102 102 A Q H X S+ 0 0 28 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.924 111.8 48.9 -60.4 -44.3 46.3 10.9 70.0 103 103 A A H < S+ 0 0 81 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.900 110.5 50.2 -62.4 -41.8 43.3 9.5 72.0 104 104 A A H < S+ 0 0 29 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.883 117.5 39.1 -65.0 -36.9 45.3 6.8 73.7 105 105 A C H >X S+ 0 0 16 -4,-2.0 3,-2.0 1,-0.2 4,-0.7 0.727 92.0 88.5 -86.7 -18.5 48.1 9.2 74.9 106 106 A G H 3X S+ 0 0 5 -4,-1.5 4,-2.3 1,-0.3 5,-0.2 0.709 72.6 68.9 -65.6 -30.3 45.8 12.2 75.8 107 107 A H H 3> S+ 0 0 103 -4,-0.5 4,-2.0 -3,-0.3 -1,-0.3 0.815 97.1 56.1 -56.6 -31.2 45.1 11.2 79.4 108 108 A F H <> S+ 0 0 11 -3,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.947 107.8 47.0 -66.2 -43.8 48.8 11.9 80.2 109 109 A L H X S+ 0 0 0 -4,-0.7 4,-2.4 -23,-0.3 5,-0.3 0.920 109.8 53.0 -61.7 -41.8 48.5 15.4 78.9 110 110 A L H X S+ 0 0 61 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.923 109.0 50.4 -61.7 -42.8 45.3 16.0 80.8 111 111 A A H X S+ 0 0 25 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.912 108.7 51.6 -61.5 -38.6 47.2 14.8 84.0 112 112 A Q H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.910 111.0 47.2 -66.6 -37.6 50.1 17.3 83.3 113 113 A I H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.884 109.9 53.9 -70.2 -38.1 47.7 20.2 82.9 114 114 A E H < S+ 0 0 149 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.879 110.9 46.8 -61.8 -41.2 45.8 19.2 86.1 115 115 A I H < S+ 0 0 20 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.913 119.9 36.6 -65.4 -45.2 49.1 19.2 88.0 116 116 A I H < S- 0 0 2 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.822 86.6-160.3 -79.8 -34.7 50.3 22.6 86.7 117 117 A N < - 0 0 88 -4,-2.9 -3,-0.1 -5,-0.2 -4,-0.1 0.925 19.3-170.8 53.6 58.3 46.9 24.1 86.7 118 118 A P - 0 0 1 0, 0.0 -77,-0.2 0, 0.0 -78,-0.2 -0.213 30.6-135.3 -72.6 163.2 47.8 27.0 84.2 119 119 A D S S+ 0 0 21 -79,-1.8 36,-2.1 1,-0.2 2,-0.3 0.751 88.2 21.4 -79.4 -32.1 45.6 30.0 83.3 120 120 A V E -bd 41 155A 0 -80,-1.8 -78,-1.8 34,-0.2 2,-0.4 -0.990 60.7-158.8-144.8 146.4 46.3 29.6 79.6 121 121 A I E -bd 42 156A 0 34,-2.6 36,-2.7 -2,-0.3 2,-0.6 -0.990 10.8-148.8-128.5 132.7 47.5 27.0 77.1 122 122 A V E -bd 43 157A 0 -80,-2.7 -78,-2.8 -2,-0.4 2,-0.7 -0.937 12.9-154.5-100.8 119.0 49.1 27.7 73.7 123 123 A A E -bd 44 158A 0 34,-1.6 36,-2.7 -2,-0.6 2,-0.9 -0.861 6.8-155.2 -97.7 111.1 48.2 24.9 71.3 124 124 A L E - d 0 159A 3 -80,-3.4 4,-0.4 -2,-0.7 37,-0.2 -0.807 57.9 -14.5 -95.3 100.1 50.9 24.8 68.6 125 125 A G S > S- 0 0 5 34,-2.7 4,-2.3 -2,-0.9 5,-0.1 -0.150 91.1 -63.0 98.0 173.6 49.4 23.3 65.5 126 126 A A H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 12,-0.2 0.859 125.4 53.8 -69.4 -37.8 46.4 21.3 64.5 127 127 A T H > S+ 0 0 10 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.946 111.7 45.0 -63.0 -48.8 47.1 18.2 66.6 128 128 A A H > S+ 0 0 0 -4,-0.4 4,-1.1 1,-0.2 3,-0.2 0.942 113.5 50.8 -57.8 -46.5 47.4 20.2 69.8 129 129 A L H >< S+ 0 0 2 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.904 105.5 56.9 -58.3 -40.2 44.3 22.2 68.9 130 130 A S H ><>S+ 0 0 11 -4,-2.3 5,-2.7 1,-0.3 3,-1.2 0.869 100.3 58.7 -61.6 -37.9 42.4 19.0 68.2 131 131 A F H ><5S+ 0 0 36 -4,-1.8 3,-0.7 1,-0.3 -1,-0.3 0.876 106.2 47.5 -58.1 -37.2 43.1 17.9 71.7 132 132 A F T <<5S+ 0 0 4 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.434 109.7 52.9 -93.3 -1.2 41.4 20.9 73.2 133 133 A V T X 5S- 0 0 38 -3,-1.2 3,-1.6 -4,-0.5 -1,-0.3 -0.327 125.4 -90.6-120.7 46.4 38.3 20.6 71.0 134 134 A D T < 5S- 0 0 156 -3,-0.7 -3,-0.2 1,-0.3 -2,-0.1 0.791 79.5 -57.6 50.7 40.7 37.4 17.0 71.8 135 135 A G T 3 - 0 0 64 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 -0.461 16.6-158.1 -69.3 120.5 41.9 24.0 60.4 140 140 A I H > S+ 0 0 23 -2,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.906 93.5 58.6 -64.6 -40.8 44.5 25.9 62.3 141 141 A T H 4 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.865 107.6 47.2 -55.9 -36.2 44.6 28.5 59.6 142 142 A K H 4 S+ 0 0 97 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.883 124.6 25.0 -78.5 -35.8 40.9 29.2 60.1 143 143 A V H >< S+ 0 0 44 -4,-1.5 3,-1.8 -3,-0.1 -2,-0.2 0.488 82.3 130.7-112.1 -3.0 40.8 29.5 63.9 144 144 A R T 3< S+ 0 0 63 -4,-2.3 15,-0.2 1,-0.2 13,-0.0 -0.163 73.4 23.4 -55.3 145.8 44.3 30.5 65.0 145 145 A G T 3 S+ 0 0 7 13,-2.9 -1,-0.2 1,-0.2 14,-0.1 0.219 92.9 115.0 84.7 -13.2 44.5 33.4 67.4 146 146 A N < - 0 0 96 -3,-1.8 -1,-0.2 12,-0.1 10,-0.1 -0.820 68.1-123.5 -91.5 120.5 40.9 33.0 68.7 147 147 A P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 10,-0.2 -0.324 20.6-152.4 -65.3 140.3 40.7 32.0 72.4 148 148 A I E -E 156 0A 41 8,-2.7 8,-2.5 -2,-0.0 2,-0.8 -0.925 15.2-128.7-111.4 135.2 38.8 28.8 73.3 149 149 A D E +E 155 0A 114 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.778 39.5 173.9 -86.2 112.9 37.2 28.4 76.6 150 150 A W > - 0 0 41 4,-3.0 3,-1.1 -2,-0.8 4,-0.2 -0.270 40.6 -32.9-110.3-165.5 38.4 25.1 78.0 151 151 A L G > S+ 0 0 109 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 -0.219 122.5 2.2 -59.0 138.9 38.0 23.4 81.4 152 152 A G G 3 S- 0 0 78 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.772 129.7 -59.5 63.3 31.1 37.7 25.4 84.5 153 153 A G G < S+ 0 0 54 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.554 93.5 149.3 72.9 7.5 37.9 28.8 82.8 154 154 A K < - 0 0 29 -3,-1.7 -4,-3.0 -4,-0.2 2,-0.4 -0.453 40.4-135.3 -66.8 145.3 41.3 28.0 81.3 155 155 A K E -dE 120 149A 46 -36,-2.1 -34,-2.6 -6,-0.2 2,-0.5 -0.898 12.2-158.8-107.3 139.0 41.9 29.7 77.9 156 156 A V E -dE 121 148A 0 -8,-2.5 -8,-2.7 -2,-0.4 -34,-0.2 -0.980 3.8-167.6-114.1 126.7 43.4 27.9 74.9 157 157 A I E -d 122 0A 0 -36,-2.7 -34,-1.6 -2,-0.5 2,-0.3 -0.963 11.7-153.8-114.0 111.7 45.0 30.0 72.2 158 158 A P E +d 123 0A 0 0, 0.0 -13,-2.9 0, 0.0 2,-0.3 -0.589 24.3 155.8 -81.8 143.5 45.8 28.1 69.0 159 159 A T E -d 124 0A 0 -36,-2.7 -34,-2.7 -2,-0.3 -30,-0.1 -0.884 46.1 -60.6-148.0-177.9 48.5 29.1 66.7 160 160 A F - 0 0 19 -2,-0.3 5,-0.0 -36,-0.2 0, 0.0 -0.369 51.2-111.3 -64.3 144.2 50.8 27.6 64.0 161 161 A H >> - 0 0 38 -37,-0.2 3,-1.4 1,-0.1 4,-0.8 -0.548 28.4-119.1 -68.7 140.3 53.3 24.9 64.9 162 162 A P H 3> S+ 0 0 2 0, 0.0 4,-1.0 0, 0.0 3,-0.4 0.790 109.9 71.1 -55.3 -26.8 56.9 26.2 64.7 163 163 A S H >> S+ 0 0 40 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.884 93.4 56.2 -50.8 -42.3 57.6 23.6 62.0 164 164 A Y H <> S+ 0 0 102 -3,-1.4 4,-1.7 1,-0.2 3,-0.4 0.892 104.1 51.5 -60.3 -38.8 55.5 25.6 59.7 165 165 A L H 3< S+ 0 0 10 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.670 101.4 63.0 -78.3 -13.2 57.6 28.7 60.2 166 166 A L H << S+ 0 0 47 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.862 112.0 36.3 -68.8 -38.1 60.7 26.7 59.4 167 167 A R H < S+ 0 0 185 -4,-1.1 2,-0.6 -3,-0.4 -2,-0.2 0.723 121.9 44.7 -87.8 -29.3 59.3 26.1 55.9 168 168 A N < - 0 0 59 -4,-1.7 -1,-0.3 -5,-0.2 5,-0.0 -0.916 65.9-177.0-122.8 100.6 57.7 29.5 55.4 169 169 A R + 0 0 224 -2,-0.6 -4,-0.1 -3,-0.2 -1,-0.1 0.231 28.9 142.5 -86.6 15.1 60.1 32.2 56.6 170 170 A S > - 0 0 49 1,-0.1 4,-1.7 2,-0.0 5,-0.1 -0.294 51.5-138.9 -65.8 139.5 57.9 35.2 56.0 171 171 A N H > S+ 0 0 139 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.795 102.3 58.8 -58.7 -35.4 58.0 38.1 58.6 172 172 A E H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 105.7 47.9 -63.7 -44.6 54.2 38.5 58.4 173 173 A L H > S+ 0 0 14 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.886 112.5 48.7 -63.4 -42.5 53.7 34.9 59.5 174 174 A R H X S+ 0 0 66 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.923 109.3 52.7 -62.8 -43.1 56.2 35.2 62.4 175 175 A R H X S+ 0 0 119 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.898 107.2 53.7 -62.7 -37.7 54.5 38.5 63.5 176 176 A I H X S+ 0 0 30 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.893 109.2 46.9 -60.7 -43.9 51.1 36.7 63.5 177 177 A V H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.916 111.2 51.9 -66.1 -42.0 52.5 33.9 65.8 178 178 A L H X S+ 0 0 39 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.889 107.9 52.1 -60.7 -38.9 54.1 36.5 68.1 179 179 A E H X S+ 0 0 102 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.869 109.0 50.9 -63.2 -37.0 50.7 38.3 68.3 180 180 A D H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.904 109.6 49.4 -68.3 -38.8 49.0 35.0 69.3 181 181 A I H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.910 110.5 50.2 -68.6 -38.7 51.6 34.4 72.1 182 182 A E H X S+ 0 0 100 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.900 108.3 52.9 -66.5 -36.6 51.0 38.0 73.3 183 183 A K H < S+ 0 0 98 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.902 109.0 51.1 -64.3 -38.0 47.2 37.3 73.3 184 184 A A H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 4,-0.3 0.960 107.4 51.9 -60.6 -49.5 48.0 34.2 75.4 185 185 A K H >< S+ 0 0 64 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.794 99.2 65.0 -55.8 -34.0 50.0 36.2 77.9 186 186 A S T 3< S+ 0 0 77 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.611 97.2 56.8 -69.9 -16.0 47.2 38.7 78.3 187 187 A F T < S+ 0 0 62 -3,-2.0 2,-0.3 -4,-0.4 -1,-0.3 0.431 78.6 108.6 -92.8 -1.9 45.1 36.0 79.9 188 188 A I S < S- 0 0 58 -3,-1.6 -147,-0.1 -4,-0.3 -148,-0.0 -0.622 76.7-112.6 -73.1 131.8 47.6 35.2 82.7 189 189 A K 0 0 155 -2,-0.3 -1,-0.1 -149,-0.1 -2,-0.1 -0.244 360.0 360.0 -69.1 151.5 46.1 36.4 86.0 190 190 A K 0 0 158 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.668 360.0 360.0 -51.7 360.0 47.5 39.3 88.1