==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAR-07 2UVV . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR A.IRIMIA,M.EGLI . 342 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0 1 1 2 1 2 0 0 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 1 2 1 1 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 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 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 88 0, 0.0 2,-0.5 0, 0.0 115,-0.0 0.000 360.0 360.0 360.0 138.9 0.3 34.9 13.3 2 2 A I - 0 0 16 113,-0.1 109,-1.8 2,-0.0 2,-0.4 -0.962 360.0-169.5-123.9 123.6 2.4 37.2 11.1 3 3 A V E -AB 110 145A 0 142,-2.8 142,-1.9 -2,-0.5 2,-0.5 -0.928 4.3-165.9-114.8 132.3 6.2 37.5 11.3 4 4 A L E -AB 109 144A 0 105,-2.6 105,-2.8 -2,-0.4 2,-0.4 -0.975 9.4-165.1-117.0 120.5 8.3 40.1 9.5 5 5 A F E -AB 108 143A 0 138,-3.4 138,-2.4 -2,-0.5 2,-0.4 -0.884 1.3-161.0-108.7 137.2 12.0 39.4 9.3 6 6 A V E +AB 107 142A 0 101,-2.9 101,-2.0 -2,-0.4 2,-0.4 -0.977 9.3 179.6-121.7 131.3 14.6 42.1 8.4 7 7 A D E -AB 106 141A 4 134,-2.4 134,-2.6 -2,-0.4 99,-0.2 -0.970 26.8-129.3-133.6 114.1 18.1 41.4 7.2 8 8 A F E > - B 0 140A 3 97,-2.6 3,-0.8 -2,-0.4 132,-0.3 -0.343 30.9-108.7 -63.8 137.5 20.4 44.3 6.3 9 9 A D T 3 S- 0 0 3 130,-2.0 5,-0.3 1,-0.3 130,-0.1 -0.483 82.5 -29.7 -75.8 137.3 22.1 44.1 2.9 10 10 A Y T >> S- 0 0 40 -2,-0.2 4,-2.8 3,-0.1 3,-0.6 0.789 87.4-166.8 23.6 52.3 25.9 43.3 2.8 11 11 A F H <> + 0 0 8 -3,-0.8 4,-2.4 1,-0.2 5,-0.2 0.734 68.1 39.7 -34.2 -68.4 25.9 45.0 6.1 12 12 A Y H 3> S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.886 120.3 46.9 -58.0 -41.1 29.5 45.8 7.0 13 13 A A H <> S+ 0 0 0 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.907 112.7 50.2 -66.5 -41.2 30.4 46.8 3.5 14 14 A Q H X S+ 0 0 7 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.857 106.7 53.6 -68.7 -33.2 27.3 48.9 3.1 15 15 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.925 107.5 52.1 -66.2 -40.5 28.0 50.8 6.4 16 16 A E H X S+ 0 0 11 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.849 109.3 50.1 -61.7 -34.0 31.5 51.6 5.0 17 17 A E H < S+ 0 0 8 -4,-1.5 7,-0.3 2,-0.2 -1,-0.2 0.865 108.7 51.7 -71.1 -37.6 29.9 53.0 1.9 18 18 A V H < S+ 0 0 41 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.922 113.3 44.4 -64.9 -42.9 27.5 55.1 3.9 19 19 A L H < S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.669 131.2 24.9 -74.6 -17.3 30.4 56.5 5.9 20 20 A N >< - 0 0 73 -4,-0.9 3,-2.5 -5,-0.2 4,-0.3 -0.567 66.7-179.6-149.7 79.0 32.4 56.9 2.6 21 21 A P G > S+ 0 0 77 0, 0.0 3,-1.5 0, 0.0 -3,-0.1 0.692 75.8 77.9 -52.8 -24.1 30.1 57.3 -0.4 22 22 A S G 3 S+ 0 0 79 1,-0.3 4,-0.1 3,-0.1 -5,-0.1 0.785 89.4 61.4 -60.1 -20.5 33.1 57.6 -2.8 23 23 A L G X S+ 0 0 11 -3,-2.5 3,-1.7 -6,-0.2 -1,-0.3 0.746 78.3 107.2 -75.7 -26.6 33.2 53.8 -2.3 24 24 A K T < S+ 0 0 106 -3,-1.5 -10,-0.0 -7,-0.3 0, 0.0 -0.197 77.4 28.9 -53.6 143.6 29.8 53.2 -3.8 25 25 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.022 106.0 82.1 96.2 -32.2 29.9 51.6 -7.3 26 26 A K S < S- 0 0 94 -3,-1.7 -1,-0.2 -4,-0.1 23,-0.2 -0.714 92.9 -82.0-108.2 162.1 33.2 49.8 -6.8 27 27 A P - 0 0 31 0, 0.0 45,-2.5 0, 0.0 2,-0.5 -0.387 45.4-168.9 -62.1 129.8 34.0 46.4 -5.2 28 28 A V E -e 72 0B 0 43,-0.2 19,-2.2 -2,-0.1 2,-0.5 -0.986 5.3-172.0-126.3 122.8 34.4 46.7 -1.4 29 29 A V E -eF 73 46B 0 43,-3.1 45,-2.6 -2,-0.5 2,-0.6 -0.956 8.8-157.2-120.4 114.8 35.8 43.9 0.6 30 30 A V E -eF 74 45B 0 15,-2.7 14,-2.6 -2,-0.5 15,-1.6 -0.814 24.2-170.2 -93.5 122.1 35.7 44.1 4.4 31 31 A C E -eF 75 43B 1 43,-3.4 45,-2.7 -2,-0.6 2,-0.6 -0.727 32.0-141.2-118.7 162.5 38.3 41.9 6.0 32 32 A V E - F 0 42B 61 10,-3.5 10,-1.7 -2,-0.3 2,-0.5 -0.927 26.9-153.5-117.4 98.4 39.6 40.4 9.2 33 33 A F E - F 0 41B 87 -2,-0.6 8,-0.3 8,-0.2 5,-0.0 -0.658 7.5-165.2 -77.1 120.5 43.4 40.5 9.1 34 34 A S - 0 0 42 6,-1.6 7,-0.2 -2,-0.5 216,-0.2 0.643 25.5-136.0 -81.8 -16.0 44.8 37.8 11.3 35 35 A G S S+ 0 0 51 5,-0.7 6,-0.1 2,-0.3 3,-0.1 0.308 70.3 118.7 80.6 -10.5 48.4 39.2 11.3 36 36 A R S S- 0 0 55 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.917 91.3 -22.8 -53.9 -47.1 50.1 35.8 10.7 37 37 A F S > S- 0 0 127 0, 0.0 3,-2.2 0, 0.0 -2,-0.3 -0.887 100.3 -46.9-151.3 179.4 51.6 37.1 7.4 38 38 A E T 3 S- 0 0 165 1,-0.3 3,-0.1 -2,-0.3 24,-0.0 -0.373 126.4 -3.3 -60.4 125.5 50.8 39.8 4.8 39 39 A D T 3 S+ 0 0 40 1,-0.2 23,-0.5 -2,-0.1 -1,-0.3 0.653 92.7 153.2 65.7 18.2 47.1 39.7 3.9 40 40 A S < + 0 0 5 -3,-2.2 -6,-1.6 21,-0.1 -5,-0.7 -0.538 36.6 58.7 -75.4 146.8 46.5 36.7 6.2 41 41 A G E S-F 33 0B 26 -8,-0.3 20,-1.9 -7,-0.2 21,-0.4 -0.821 79.1 -79.4 130.2-169.9 43.0 36.5 7.4 42 42 A A E -FG 32 60B 37 -10,-1.7 -10,-3.5 -2,-0.3 2,-0.5 -0.856 33.2 -99.8-133.3 165.6 39.5 36.2 5.9 43 43 A V E -F 31 0B 3 16,-2.3 15,-3.3 -2,-0.3 -12,-0.3 -0.738 21.9-166.6 -85.0 124.5 36.8 38.3 4.2 44 44 A A E S- 0 0 30 -14,-2.6 2,-0.3 -2,-0.5 -13,-0.2 0.918 70.3 -39.2 -75.2 -45.4 34.0 39.2 6.7 45 45 A T E -F 30 0B 18 -15,-1.6 -15,-2.7 11,-0.1 -1,-0.4 -0.975 53.4-146.5-169.3 169.8 31.9 40.3 3.8 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.2 -0.990 26.7-106.4-146.2 152.5 31.8 42.1 0.4 47 47 A N >> - 0 0 0 -19,-2.2 4,-1.9 -2,-0.3 3,-0.9 -0.229 44.6 -97.9 -73.1 169.2 29.4 44.3 -1.5 48 48 A Y H 3> S+ 0 0 62 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.826 120.9 63.5 -61.6 -29.9 27.6 42.9 -4.5 49 49 A E H 34 S+ 0 0 59 1,-0.2 4,-0.3 -23,-0.2 -1,-0.3 0.877 110.3 41.8 -60.6 -34.2 30.0 44.4 -7.1 50 50 A A H X4>S+ 0 0 0 -3,-0.9 5,-1.5 -22,-0.2 3,-1.5 0.885 107.7 58.9 -79.2 -39.3 32.7 42.2 -5.5 51 51 A R H ><5S+ 0 0 82 -4,-1.9 3,-1.9 1,-0.3 -2,-0.2 0.756 88.6 74.9 -61.1 -26.9 30.5 39.1 -5.1 52 52 A K T 3<5S+ 0 0 154 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.853 102.5 41.8 -54.8 -32.4 29.9 39.0 -8.9 53 53 A F T < 5S- 0 0 116 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.297 128.8 -90.7-102.0 12.4 33.4 37.7 -9.2 54 54 A G T < 5S+ 0 0 35 -3,-1.9 2,-0.9 1,-0.3 -3,-0.2 0.416 80.0 135.9 99.2 -2.9 33.5 35.3 -6.3 55 55 A V < + 0 0 0 -5,-1.5 -1,-0.3 -7,-0.1 2,-0.3 -0.725 32.0 140.4 -84.0 111.1 34.7 37.5 -3.5 56 56 A K > - 0 0 123 -2,-0.9 3,-1.4 -3,-0.1 -13,-0.3 -0.871 55.6 -58.9-142.3 174.2 32.5 36.7 -0.6 57 57 A A T 3 S+ 0 0 55 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.259 114.1 24.1 -58.6 137.2 32.5 36.1 3.2 58 58 A G T 3 S+ 0 0 60 -15,-3.3 -1,-0.2 1,-0.3 -14,-0.1 0.176 87.5 116.6 95.9 -19.9 34.8 33.4 4.4 59 59 A I S < S- 0 0 28 -3,-1.4 -16,-2.3 -16,-0.1 -1,-0.3 -0.521 76.3 -91.8 -82.3 155.8 37.3 33.2 1.6 60 60 A P B >> -G 42 0B 60 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.361 26.3-127.2 -64.8 141.9 41.0 34.0 2.3 61 61 A I H 3> S+ 0 0 0 -20,-1.9 4,-2.4 1,-0.2 5,-0.2 0.899 110.8 59.0 -56.2 -39.3 42.0 37.6 1.8 62 62 A V H 3> S+ 0 0 45 -23,-0.5 4,-0.9 -21,-0.4 -1,-0.2 0.842 105.5 47.4 -59.9 -35.5 44.8 36.4 -0.4 63 63 A E H <> S+ 0 0 82 -3,-0.7 4,-1.8 2,-0.2 3,-0.2 0.884 108.8 55.5 -73.0 -37.3 42.3 34.6 -2.7 64 64 A A H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.929 106.9 49.3 -59.9 -46.4 40.2 37.8 -2.9 65 65 A K H < S+ 0 0 59 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.762 105.3 58.3 -66.9 -23.9 43.1 39.9 -4.0 66 66 A K H < S+ 0 0 138 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.935 114.9 36.4 -69.3 -43.1 43.9 37.3 -6.7 67 67 A I H < S+ 0 0 80 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.889 137.0 18.3 -74.6 -44.1 40.4 37.8 -8.2 68 68 A L >< + 0 0 25 -4,-3.1 3,-2.2 -5,-0.2 -1,-0.2 -0.509 67.4 167.0-130.7 65.3 40.0 41.5 -7.6 69 69 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.745 79.5 47.8 -49.9 -28.5 43.5 42.9 -7.0 70 70 A N T 3 S+ 0 0 158 -3,-0.1 -5,-0.1 2,-0.1 3,-0.0 0.311 84.2 114.1-102.1 11.5 42.2 46.5 -7.4 71 71 A A S < S- 0 0 14 -3,-2.2 2,-0.7 -7,-0.1 -43,-0.2 -0.189 78.1 -94.4 -72.5 170.6 39.1 46.3 -5.1 72 72 A V E -e 28 0B 36 -45,-2.5 -43,-3.1 -49,-0.1 2,-0.6 -0.820 39.4-161.8 -92.5 117.4 38.9 48.4 -1.9 73 73 A Y E -e 29 0B 40 -2,-0.7 -43,-0.2 -45,-0.2 -45,-0.0 -0.894 11.8-179.6-103.7 120.6 40.1 46.3 1.1 74 74 A L E -e 30 0B 36 -45,-2.6 -43,-3.4 -2,-0.6 2,-0.2 -0.927 28.2-118.2-122.7 144.3 39.0 47.6 4.5 75 75 A P E -e 31 0B 77 0, 0.0 -43,-0.2 0, 0.0 2,-0.1 -0.568 43.6 -98.4 -79.1 142.7 39.7 46.3 8.0 76 76 A M - 0 0 68 -45,-2.7 2,-0.4 -2,-0.2 3,-0.1 -0.386 32.4-170.2 -61.9 129.9 36.5 45.3 9.9 77 77 A R >> + 0 0 96 1,-0.1 4,-1.7 -2,-0.1 3,-0.9 -0.663 13.0 172.1-119.4 69.6 35.4 48.0 12.3 78 78 A K H 3> S+ 0 0 72 -2,-0.4 4,-2.2 1,-0.3 -1,-0.1 0.758 70.7 60.3 -53.0 -32.5 32.8 46.0 14.1 79 79 A E H 3> S+ 0 0 143 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.903 105.0 48.5 -64.8 -42.0 32.1 48.6 16.8 80 80 A V H <> S+ 0 0 45 -3,-0.9 4,-1.7 1,-0.2 -2,-0.2 0.908 113.0 47.2 -64.7 -43.5 31.0 51.1 14.2 81 81 A Y H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.856 108.5 57.1 -67.3 -32.8 28.7 48.6 12.5 82 82 A Q H X S+ 0 0 80 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.911 107.5 46.1 -65.0 -40.9 27.3 47.7 15.9 83 83 A Q H X S+ 0 0 131 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.858 112.4 49.8 -71.1 -33.9 26.3 51.2 16.8 84 84 A V H X S+ 0 0 7 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.934 111.3 51.8 -68.0 -40.9 24.7 51.7 13.4 85 85 A S H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.940 105.8 52.7 -56.7 -52.8 22.9 48.4 13.9 86 86 A S H X S+ 0 0 52 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.904 107.5 52.2 -51.9 -45.8 21.6 49.4 17.3 87 87 A R H X S+ 0 0 116 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.932 110.3 47.9 -58.4 -44.8 20.1 52.6 15.8 88 88 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.891 108.8 54.4 -64.1 -37.3 18.3 50.5 13.1 89 89 A M H X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.882 105.8 53.0 -63.0 -36.8 17.0 48.1 15.8 90 90 A N H X S+ 0 0 89 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.853 105.8 53.9 -66.8 -33.4 15.5 51.1 17.7 91 91 A L H >< S+ 0 0 24 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.918 108.3 49.6 -64.9 -42.6 13.8 52.1 14.5 92 92 A L H >< S+ 0 0 1 -4,-2.0 3,-2.3 1,-0.3 4,-0.4 0.855 99.0 65.5 -64.3 -36.2 12.2 48.7 14.2 93 93 A R H >< S+ 0 0 111 -4,-1.9 3,-1.0 1,-0.3 -1,-0.3 0.780 88.8 69.8 -57.8 -24.0 11.1 48.7 17.8 94 94 A E T << S+ 0 0 123 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.353 99.4 49.4 -75.9 8.1 8.8 51.6 16.6 95 95 A Y T < S+ 0 0 37 -3,-2.3 2,-0.2 1,-0.4 -1,-0.2 0.448 124.1 1.6-121.8 -8.7 6.9 48.9 14.7 96 96 A S < - 0 0 3 -3,-1.0 -1,-0.4 -4,-0.4 15,-0.1 -0.855 43.3-145.0-178.7 142.6 6.4 46.3 17.4 97 97 A E S S+ 0 0 147 -2,-0.2 2,-1.1 1,-0.2 -1,-0.1 0.624 94.9 75.4 -84.4 -16.3 7.1 45.6 21.1 98 98 A K + 0 0 89 12,-0.4 12,-2.5 -3,-0.1 2,-0.4 -0.779 68.0 148.0 -99.5 89.2 7.6 41.9 20.2 99 99 A I E -C 109 0A 13 -2,-1.1 2,-0.6 10,-0.2 10,-0.2 -0.988 34.6-161.2-130.1 133.4 11.0 42.0 18.5 100 100 A E E -C 108 0A 6 8,-3.0 8,-2.2 -2,-0.4 2,-1.3 -0.900 10.0-155.3-114.5 101.8 13.7 39.4 18.4 101 101 A I E -C 107 0A 56 -2,-0.6 6,-0.2 6,-0.2 139,-0.2 -0.656 16.5-179.5 -77.0 99.1 17.1 40.9 17.6 102 102 A A E - 0 0 17 -2,-1.3 2,-0.3 4,-0.8 -1,-0.2 0.879 56.9 -24.4 -69.9 -43.5 18.8 37.7 16.1 103 103 A S E > S-C 106 0A 48 3,-1.7 3,-1.1 0, 0.0 -1,-0.1 -0.876 84.5 -66.9-155.2-174.2 22.2 39.1 15.3 104 104 A I T 3 S+ 0 0 31 -2,-0.3 3,-0.0 1,-0.2 -2,-0.0 0.706 131.7 25.7 -59.5 -18.5 24.0 42.4 14.4 105 105 A D T 3 S+ 0 0 33 1,-0.1 -97,-2.6 -97,-0.0 2,-0.3 0.260 114.0 60.9-132.9 19.5 22.1 42.6 11.1 106 106 A E E < +AC 7 103A 29 -3,-1.1 -3,-1.7 -99,-0.2 -4,-0.8 -1.000 46.3 170.8-149.9 148.3 18.8 40.8 11.5 107 107 A A E -AC 6 101A 0 -101,-2.0 -101,-2.9 -2,-0.3 2,-0.4 -0.993 22.4-136.4-153.2 154.6 15.7 40.8 13.5 108 108 A Y E -AC 5 100A 14 -8,-2.2 -8,-3.0 -2,-0.3 2,-0.4 -0.929 16.8-164.0-112.9 138.3 12.2 39.3 13.7 109 109 A L E -AC 4 99A 0 -105,-2.8 -105,-2.6 -2,-0.4 2,-1.0 -0.988 16.0-144.9-124.7 128.7 9.0 41.3 14.4 110 110 A D E +A 3 0A 14 -12,-2.5 -12,-0.4 -2,-0.4 3,-0.3 -0.820 26.8 171.0 -88.3 103.0 5.7 39.8 15.5 111 111 A I >> + 0 0 0 -109,-1.8 4,-1.3 -2,-1.0 3,-0.6 -0.060 39.9 112.3-106.1 33.4 3.4 42.2 13.7 112 112 A S T 34 S+ 0 0 33 -110,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.949 79.8 43.9 -68.0 -50.7 0.2 40.2 14.4 113 113 A D T 34 S+ 0 0 137 -3,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.308 115.3 54.4 -78.5 11.2 -1.3 42.7 16.8 114 114 A K T <4 S+ 0 0 106 -3,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.647 117.0 14.0-114.3 -26.9 -0.3 45.4 14.3 115 115 A V < - 0 0 21 -4,-1.3 -1,-0.3 -3,-0.5 -113,-0.1 -0.973 55.1-149.8-146.8 162.5 -1.8 44.2 11.0 116 116 A R S S+ 0 0 190 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.780 72.6 29.0-110.7 -28.1 -4.4 41.7 9.8 117 117 A D S > S- 0 0 51 1,-0.0 4,-0.9 -115,-0.0 5,-0.1 -0.649 81.2-105.8-123.6 179.5 -3.6 40.4 6.4 118 118 A Y H > S+ 0 0 50 -2,-0.2 4,-3.1 2,-0.2 5,-0.2 0.718 116.9 65.7 -80.2 -15.6 -0.4 39.9 4.4 119 119 A R H > S+ 0 0 143 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.959 105.2 39.3 -65.2 -55.0 -1.4 42.9 2.4 120 120 A E H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.752 115.2 56.5 -68.3 -23.9 -1.0 45.2 5.3 121 121 A A H X S+ 0 0 0 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.951 106.4 47.7 -70.7 -51.3 2.1 43.3 6.3 122 122 A Y H X S+ 0 0 93 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.922 113.4 49.1 -54.4 -47.5 3.8 43.8 3.0 123 123 A N H X S+ 0 0 70 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.849 109.1 51.3 -62.7 -37.6 2.9 47.5 3.1 124 124 A L H X S+ 0 0 34 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.887 108.5 54.8 -66.0 -36.4 4.3 47.8 6.7 125 125 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.930 106.1 49.1 -61.3 -47.2 7.4 46.1 5.3 126 126 A L H X S+ 0 0 68 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.890 110.9 51.0 -60.4 -39.5 7.8 48.8 2.6 127 127 A E H X S+ 0 0 113 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.893 109.7 49.5 -65.4 -39.8 7.4 51.5 5.2 128 128 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.935 112.9 47.9 -63.7 -45.0 10.0 49.9 7.4 129 129 A K H X S+ 0 0 28 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.932 113.5 46.7 -60.8 -47.4 12.4 49.7 4.4 130 130 A N H X S+ 0 0 87 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.915 110.8 53.2 -61.6 -43.5 11.7 53.3 3.4 131 131 A K H X S+ 0 0 54 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.905 111.3 45.0 -58.7 -44.6 12.2 54.4 7.0 132 132 A I H X>S+ 0 0 1 -4,-2.2 4,-3.2 2,-0.2 6,-1.0 0.920 113.8 48.4 -68.8 -43.5 15.6 52.8 7.3 133 133 A L H X5S+ 0 0 76 -4,-2.4 4,-1.8 4,-0.2 -2,-0.2 0.957 115.6 45.6 -60.1 -48.6 16.9 53.9 4.0 134 134 A E H <5S+ 0 0 111 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.920 122.5 34.7 -61.6 -46.3 15.7 57.5 4.7 135 135 A K H <5S+ 0 0 93 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.898 138.0 14.0 -80.7 -41.5 17.1 57.6 8.2 136 136 A E H <5S- 0 0 36 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.408 90.7-124.8-115.5 2.3 20.3 55.5 8.0 137 137 A K << + 0 0 134 -4,-1.8 2,-0.5 -5,-0.7 -4,-0.2 0.839 67.4 136.7 57.5 33.1 20.8 55.2 4.2 138 138 A I - 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0 0 14 -7,-0.1 -20,-2.5 2,-0.0 2,-0.3 -0.653 50.5-149.1-127.2-176.3 13.8 43.0 -1.5 163 163 A I E +d 142 0A 26 -22,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.950 21.2 174.6-154.2 136.8 10.6 42.2 0.3 164 164 A K E -d 143 0A 48 -22,-1.9 -20,-3.0 -2,-0.3 2,-0.4 -0.955 18.1-156.0-156.7 130.4 8.9 38.9 0.0 165 165 A V E -d 144 0A 31 -2,-0.3 2,-0.6 -22,-0.2 -20,-0.2 -0.857 5.5-158.6-104.9 140.0 5.9 37.3 1.6 166 166 A I - 0 0 0 -22,-3.4 -20,-0.4 -2,-0.4 2,-0.1 -0.957 20.7-161.9-118.2 106.1 5.5 33.5 1.7 167 167 A D >> - 0 0 76 -2,-0.6 4,-2.2 -22,-0.1 3,-1.0 -0.379 35.2 -89.2 -86.2 168.9 1.8 32.8 2.2 168 168 A D H 3> S+ 0 0 74 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.805 124.6 52.2 -46.0 -42.3 0.2 29.5 3.5 169 169 A E H 3> S+ 0 0 133 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.878 112.8 44.6 -67.5 -34.5 -0.1 28.0 -0.0 170 170 A E H <> S+ 0 0 47 -3,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.794 104.5 62.7 -78.5 -26.9 3.6 28.6 -0.8 171 171 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.865 105.9 48.5 -61.5 -34.9 4.6 27.3 2.6 172 172 A K H X S+ 0 0 110 -4,-1.3 4,-1.1 -5,-0.2 -2,-0.2 0.900 110.0 49.1 -73.1 -41.4 3.1 24.0 1.5 173 173 A R H X S+ 0 0 76 -4,-1.4 4,-3.4 1,-0.2 3,-0.3 0.921 111.8 50.4 -63.8 -42.5 4.8 24.0 -1.9 174 174 A L H X S+ 0 0 4 -4,-2.7 4,-3.8 2,-0.3 28,-0.3 0.920 103.3 57.4 -61.3 -46.1 8.2 24.7 -0.2 175 175 A I H < S+ 0 0 13 -4,-1.9 28,-2.4 1,-0.2 -1,-0.2 0.852 118.7 35.5 -52.6 -32.6 7.7 21.9 2.4 176 176 A R H < S+ 0 0 141 -4,-1.1 -2,-0.3 -3,-0.3 -1,-0.2 0.843 131.9 26.6 -90.7 -37.3 7.5 19.7 -0.7 177 177 A E H < S+ 0 0 94 -4,-3.4 2,-0.4 -5,-0.1 -3,-0.2 0.652 89.6 105.8-104.2 -17.1 9.9 21.4 -3.1 178 178 A L S < S- 0 0 11 -4,-3.8 24,-0.6 -5,-0.3 5,-0.1 -0.506 76.2-117.1 -73.4 121.1 12.5 23.2 -0.9 179 179 A D B > -H 201 0C 71 -2,-0.4 3,-1.5 1,-0.2 22,-0.2 -0.330 23.9-134.7 -50.6 126.9 15.9 21.5 -0.7 180 180 A I G > S+ 0 0 4 20,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.777 103.5 67.0 -62.2 -23.5 16.1 20.6 3.0 181 181 A A G 3 S+ 0 0 36 19,-0.3 -1,-0.3 1,-0.3 5,-0.2 0.852 91.8 62.6 -64.4 -31.0 19.7 21.9 3.1 182 182 A D G < S+ 0 0 99 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.453 82.0 106.5 -74.3 2.0 18.1 25.4 2.4 183 183 A V S X S- 0 0 3 -3,-1.8 3,-2.1 -4,-0.1 -33,-0.0 -0.690 84.0-106.1 -84.8 130.1 16.3 25.0 5.8 184 184 A P T 3 S+ 0 0 29 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.274 106.1 26.8 -54.6 132.0 17.8 27.2 8.6 185 185 A G T 3 S+ 0 0 50 1,-0.2 2,-0.8 -4,-0.1 5,-0.1 0.309 93.3 110.2 96.6 -9.8 19.7 25.1 11.1 186 186 A I < + 0 0 12 -3,-2.1 -1,-0.2 -5,-0.2 2,-0.1 -0.866 47.0 177.4-103.2 104.6 20.6 22.4 8.6 187 187 A G > - 0 0 40 -2,-0.8 4,-3.3 -3,-0.1 5,-0.2 -0.305 48.1 -82.9 -96.2-176.0 24.3 22.6 7.8 188 188 A N H > S+ 0 0 140 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.847 127.4 50.8 -57.7 -35.4 26.5 20.5 5.6 189 189 A I H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.981 115.9 39.9 -66.1 -55.6 26.9 17.8 8.3 190 190 A T H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.880 113.7 55.3 -60.0 -41.3 23.2 17.5 9.0 191 191 A A H X S+ 0 0 7 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.886 109.0 46.4 -60.8 -41.7 22.3 17.7 5.3 192 192 A E H X S+ 0 0 86 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.855 111.3 53.0 -69.9 -34.7 24.6 14.9 4.3 193 193 A K H X S+ 0 0 71 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.883 110.8 47.3 -65.8 -38.3 23.2 12.8 7.2 194 194 A L H <>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 3,-0.4 0.876 107.4 55.5 -71.9 -36.6 19.7 13.5 5.9 195 195 A K H ><5S+ 0 0 105 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.919 104.4 54.2 -59.7 -45.0 20.6 12.6 2.3 196 196 A K H 3<5S+ 0 0 159 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.783 106.8 51.6 -60.4 -28.6 21.9 9.2 3.5 197 197 A L T 3<5S- 0 0 36 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.431 123.2-108.8 -87.8 0.8 18.5 8.6 5.1 198 198 A G T < 5S+ 0 0 45 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.591 75.4 137.7 83.2 11.4 16.9 9.5 1.8 199 199 A I < + 0 0 4 -5,-2.9 -1,-0.2 1,-0.2 -2,-0.2 -0.828 7.9 147.7 -97.4 113.1 15.6 12.8 3.1 200 200 A N + 0 0 77 -2,-0.7 -20,-2.6 1,-0.2 -19,-0.3 0.505 66.1 35.6-117.3 -13.2 15.9 15.7 0.6 201 201 A K B >> S-H 179 0C 68 -22,-0.2 3,-0.9 -21,-0.1 4,-0.8 -0.960 84.1-110.2-141.0 155.7 12.9 17.8 1.5 202 202 A L G >4 S+ 0 0 1 -24,-0.6 3,-1.3 -2,-0.3 4,-0.4 0.905 116.3 64.1 -51.8 -43.0 11.0 18.7 4.6 203 203 A V G >4 S+ 0 0 49 -28,-2.4 3,-1.9 1,-0.3 -1,-0.3 0.881 94.6 59.5 -49.7 -43.0 8.2 16.5 3.4 204 204 A D G X4 S+ 0 0 47 -3,-0.9 3,-2.6 1,-0.3 -1,-0.3 0.811 86.7 73.3 -58.7 -32.5 10.4 13.4 3.6 205 205 A T G X< S+ 0 0 1 -3,-1.3 3,-0.6 -4,-0.8 -1,-0.3 0.718 91.2 62.1 -56.6 -17.0 11.0 13.8 7.3 206 206 A L G < S+ 0 0 77 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.631 95.9 57.9 -84.6 -12.8 7.4 12.7 7.7 207 207 A S G < S+ 0 0 112 -3,-2.6 2,-0.3 -4,-0.2 -1,-0.2 -0.055 93.2 79.2-107.7 32.3 8.0 9.2 6.1 208 208 A I S < S- 0 0 27 -3,-0.6 2,-0.2 -9,-0.0 5,-0.0 -0.989 89.7 -98.7-137.5 145.3 10.7 8.0 8.5 209 209 A E >> - 0 0 155 -2,-0.3 4,-1.8 1,-0.1 3,-1.3 -0.467 32.5-131.6 -64.7 130.1 10.4 6.6 12.0 210 210 A F H 3> S+ 0 0 67 1,-0.3 4,-3.8 2,-0.2 5,-0.2 0.872 104.6 56.7 -48.6 -48.3 11.1 9.3 14.4 211 211 A D H 3> S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.783 106.5 50.8 -58.1 -29.2 13.6 7.3 16.4 212 212 A K H <> S+ 0 0 117 -3,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.896 114.0 43.3 -75.0 -42.0 15.6 6.7 13.3 213 213 A L H >X>S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 3,-0.7 0.971 115.1 50.9 -63.7 -54.0 15.7 10.4 12.5 214 214 A K H 3X5S+ 0 0 71 -4,-3.8 4,-3.1 1,-0.3 -2,-0.2 0.936 109.2 50.0 -47.2 -57.9 16.4 11.2 16.2 215 215 A G H 3<5S+ 0 0 65 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.785 115.9 43.5 -56.4 -28.8 19.3 8.7 16.3 216 216 A M H <<5S+ 0 0 83 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.875 135.0 8.7 -88.5 -38.9 20.8 10.2 13.2 217 217 A I H <5S- 0 0 20 -4,-2.9 4,-0.3 1,-0.2 -3,-0.2 0.521 110.1-100.9-119.4 -8.3 20.5 14.0 13.8 218 218 A G X< - 0 0 30 -4,-3.1 4,-2.1 -5,-0.7 5,-0.2 -0.079 31.5 -83.6 104.5 154.6 19.3 14.2 17.4 219 219 A E H > S+ 0 0 96 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.956 122.2 48.6 -57.8 -58.3 16.0 14.8 19.2 220 220 A A H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.931 116.1 42.8 -49.7 -55.6 16.0 18.6 19.0 221 221 A K H > S+ 0 0 60 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.845 113.5 53.2 -62.3 -35.5 16.8 18.8 15.3 222 222 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.946 111.8 43.6 -66.6 -48.8 14.4 15.9 14.5 223 223 A K H X S+ 0 0 110 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.914 111.3 56.8 -62.0 -42.6 11.4 17.6 16.2 224 224 A Y H X S+ 0 0 51 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.960 110.9 41.5 -52.1 -58.2 12.3 20.9 14.6 225 225 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.828 113.4 52.8 -60.9 -37.0 12.2 19.5 11.1 226 226 A I H X S+ 0 0 18 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.902 106.8 53.3 -68.4 -39.8 9.1 17.5 11.7 227 227 A S H <>S+ 0 0 42 -4,-2.7 5,-2.7 1,-0.2 6,-0.6 0.966 111.5 45.3 -56.1 -55.1 7.2 20.6 13.1 228 228 A L H ><5S+ 0 0 2 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.874 111.5 52.9 -55.8 -42.4 8.1 22.5 9.9 229 229 A A H 3<5S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.851 110.0 47.3 -63.7 -36.8 7.1 19.6 7.7 230 230 A R T 3<5S- 0 0 152 -4,-2.2 -1,-0.3 -3,-0.3 -2,-0.2 0.479 115.3-118.6 -83.3 -1.9 3.7 19.4 9.4 231 231 A D T < 5S+ 0 0 44 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.947 87.3 111.0 63.0 48.0 3.4 23.1 9.0 232 232 A E < + 0 0 121 -5,-2.7 -4,-0.2 -6,-0.1 2,-0.2 0.333 29.2 125.2-132.1 0.4 3.2 23.4 12.8 233 233 A Y + 0 0 27 -6,-0.6 -9,-0.0 1,-0.1 -8,-0.0 -0.471 26.0 157.6 -63.3 134.2 6.5 25.1 13.7 234 234 A N + 0 0 92 -2,-0.2 -1,-0.1 -87,-0.1 -87,-0.0 -0.140 8.2 169.2-159.3 55.5 5.6 28.2 15.8 235 235 A E - 0 0 109 1,-0.1 -87,-0.4 3,-0.0 3,-0.0 -0.570 35.4-119.8 -77.1 128.9 8.3 29.6 18.0 236 236 A P - 0 0 78 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.195 24.0-106.4 -64.7 155.0 7.5 33.0 19.5 237 237 A I + 0 0 16 -139,-0.1 2,-0.3 -89,-0.0 -138,-0.1 -0.731 52.3 169.7 -82.2 119.1 9.6 36.1 19.0 238 238 A R - 0 0 175 -2,-0.6 2,-0.3 -140,-0.1 -130,-0.1 -0.960 41.1 -93.4-136.8 155.6 11.5 36.8 22.2 239 239 A T - 0 0 111 -2,-0.3 2,-0.3 -139,-0.1 -139,-0.1 -0.458 40.4-142.9 -65.5 124.1 14.3 39.0 23.4 240 240 A R - 0 0 126 -2,-0.3 2,-0.4 -139,-0.2 -139,-0.1 -0.677 10.6-152.7 -89.4 144.2 17.6 37.1 23.2 241 241 A V - 0 0 98 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.977 23.6-109.5-120.8 129.8 20.1 37.7 26.0 242 242 A R - 0 0 131 -2,-0.4 3,-0.1 1,-0.2 0, 0.0 -0.306 31.1-174.6 -54.5 135.1 23.9 37.4 25.5 243 243 A K + 0 0 152 1,-0.3 96,-0.8 96,-0.1 2,-0.3 0.494 61.7 17.0-112.0 -5.7 25.0 34.3 27.3 244 244 A S E -I 338 0D 45 94,-0.2 2,-0.4 95,-0.1 -1,-0.3 -0.982 53.0-159.6-164.0 151.7 28.8 34.6 26.9 245 245 A I E +I 337 0D 5 92,-2.2 92,-3.3 -2,-0.3 2,-0.3 -0.997 29.4 148.8-136.1 135.0 31.5 37.0 26.0 246 246 A G E -I 336 0D 13 -2,-0.4 2,-0.3 90,-0.3 90,-0.2 -0.943 31.5-146.0-158.0 177.6 35.0 36.0 24.8 247 247 A R E -I 335 0D 112 88,-2.4 88,-1.9 -2,-0.3 2,-0.4 -0.923 9.7-175.5-157.0 124.7 38.0 36.6 22.7 248 248 A I E -I 334 0D 72 -2,-0.3 2,-0.3 86,-0.3 86,-0.3 -0.989 12.8-165.3-125.6 132.6 40.4 34.2 20.8 249 249 A V E -I 333 0D 14 84,-3.2 84,-2.2 -2,-0.4 2,-0.4 -0.909 21.4-124.5-123.9 149.3 43.5 35.4 19.1 250 250 A T E -I 332 0D 38 -2,-0.3 82,-0.2 82,-0.2 2,-0.1 -0.741 34.5-135.9 -86.5 130.3 45.9 34.0 16.5 251 251 A M E - 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