==== 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 TRANSFERASE/DNA 30-OCT-09 3KHL . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; . AUTHOR O.RECHKOBLIT,L.MALININA,D.J.PATEL . 682 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 17.6 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 36 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 0 2 2 4 2 4 0 0 0 1 1 0 3 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 4 0 0 2 4 2 2 2 2 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 4 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 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 G 0 0 77 0, 0.0 2,-0.4 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 102.5 -21.7 8.7 -11.8 2 2 A I - 0 0 17 113,-0.1 109,-2.2 2,-0.0 110,-0.6 -0.967 360.0-174.6-132.2 119.6 -20.7 10.4 -8.6 3 3 A V E -AB 110 145A 8 142,-3.0 142,-2.0 -2,-0.4 2,-0.5 -0.942 7.3-162.6-116.3 127.3 -17.8 9.2 -6.4 4 4 A L E -AB 109 144A 0 105,-3.1 105,-3.5 -2,-0.5 2,-0.4 -0.949 10.1-165.1-111.1 124.3 -16.9 10.7 -3.0 5 5 A F E -AB 108 143A 0 138,-3.2 138,-2.5 -2,-0.5 2,-0.4 -0.915 2.6-161.6-113.0 135.5 -13.4 9.9 -1.7 6 6 A V E +AB 107 142A 0 101,-2.8 101,-2.0 -2,-0.4 2,-0.4 -0.965 10.6 175.8-120.4 135.7 -12.3 10.5 1.9 7 7 A D E -AB 106 141A 4 134,-1.8 134,-2.8 -2,-0.4 99,-0.2 -0.987 29.2-128.8-141.7 119.9 -8.6 10.7 3.0 8 8 A F E > - B 0 140A 2 97,-2.2 3,-0.8 -2,-0.4 132,-0.3 -0.499 31.9-105.2 -79.6 143.1 -7.8 11.5 6.7 9 9 A D T 3 S- 0 0 4 130,-2.1 5,-0.3 1,-0.2 130,-0.1 -0.469 83.7 -28.9 -79.5 134.8 -5.3 14.3 7.3 10 10 A Y T >> S- 0 0 26 -2,-0.2 4,-2.5 3,-0.1 3,-0.6 0.806 87.4-162.8 32.9 52.9 -1.8 13.5 8.4 11 11 A F H <> + 0 0 9 -3,-0.8 4,-2.2 1,-0.3 5,-0.2 0.703 69.1 35.6 -48.9 -58.4 -3.5 10.5 10.0 12 12 A Y H 3> S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.894 121.3 48.7 -62.3 -40.8 -1.2 8.9 12.6 13 13 A A H <> S+ 0 0 0 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.850 110.0 51.8 -63.0 -39.7 0.2 12.3 13.6 14 14 A Q H X S+ 0 0 5 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.878 105.8 54.0 -70.6 -35.7 -3.3 13.8 13.9 15 15 A V H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.936 108.5 50.3 -59.7 -44.3 -4.4 10.9 16.2 16 16 A E H X S+ 0 0 7 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.857 108.6 53.2 -62.3 -33.5 -1.4 11.7 18.5 17 17 A E H < S+ 0 0 7 -4,-1.7 7,-0.3 2,-0.2 6,-0.2 0.860 107.1 50.7 -67.5 -37.9 -2.5 15.4 18.4 18 18 A V H < S+ 0 0 55 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.901 112.3 47.7 -65.9 -38.2 -6.1 14.4 19.5 19 19 A L H < S+ 0 0 85 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.848 128.0 24.9 -70.7 -36.3 -4.6 12.4 22.4 20 20 A N >< - 0 0 72 -4,-2.0 3,-2.1 -5,-0.2 4,-0.3 -0.782 68.5-173.5-133.3 90.9 -2.3 15.2 23.4 21 21 A P G > S+ 0 0 95 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.623 78.5 75.0 -59.4 -17.5 -3.7 18.6 22.4 22 22 A S G 3 S+ 0 0 78 1,-0.2 -5,-0.1 3,-0.0 -2,-0.0 0.633 89.9 62.2 -68.5 -13.9 -0.4 20.4 23.5 23 23 A L G X S+ 0 0 17 -3,-2.1 3,-2.0 -6,-0.2 -1,-0.2 0.745 77.1 111.9 -78.2 -29.5 1.1 18.9 20.3 24 24 A K T < S+ 0 0 132 -3,-0.9 -10,-0.0 -7,-0.3 -6,-0.0 -0.158 81.0 16.8 -56.3 134.9 -1.2 20.8 18.0 25 25 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.492 109.7 88.9 81.9 1.7 0.4 23.4 15.9 26 26 A K S < S- 0 0 128 -3,-2.0 -1,-0.2 46,-0.0 24,-0.2 -0.921 91.5 -75.9-125.8 162.5 4.0 22.2 16.4 27 27 A P + 0 0 28 0, 0.0 45,-2.2 0, 0.0 2,-0.4 -0.244 50.0 178.8 -58.2 125.7 6.2 19.6 14.6 28 28 A V E -e 72 0B 0 43,-0.2 19,-2.4 19,-0.1 2,-0.5 -0.996 7.5-169.6-129.9 131.5 5.2 16.0 15.3 29 29 A V E -eF 73 46B 0 43,-3.2 45,-3.0 -2,-0.4 2,-0.6 -0.986 11.3-150.7-124.3 123.3 6.9 13.0 13.7 30 30 A V E -eF 74 45B 0 15,-3.1 14,-3.1 -2,-0.5 15,-1.5 -0.839 26.4-166.5 -96.2 123.1 5.5 9.5 14.0 31 31 A C E -eF 75 43B 1 43,-3.7 45,-2.5 -2,-0.6 2,-0.7 -0.782 30.3-143.4-116.3 149.5 8.3 6.9 13.8 32 32 A V E - F 0 42B 61 10,-3.4 10,-1.4 -2,-0.3 2,-0.3 -0.910 26.5-161.6-104.5 98.0 9.0 3.2 13.4 33 33 A F E - F 0 41B 84 -2,-0.7 8,-0.2 8,-0.2 5,-0.1 -0.660 4.5-167.7 -78.7 140.1 11.9 2.5 15.7 34 34 A S - 0 0 27 6,-2.0 2,-0.2 -2,-0.3 7,-0.1 0.507 31.6-118.0-115.8 -8.8 13.6 -0.8 14.7 35 35 A G S S+ 0 0 33 5,-0.4 217,-0.1 2,-0.3 6,-0.1 -0.229 80.1 111.8 103.5 -44.5 16.0 -1.7 17.6 36 36 A R S S- 0 0 55 -2,-0.2 2,-0.3 215,-0.2 -3,-0.0 0.743 89.0 -36.9 -31.0 -58.8 19.3 -1.7 15.7 37 37 A F S > S- 0 0 138 0, 0.0 3,-1.9 0, 0.0 -2,-0.3 -0.888 94.8 -34.2-156.2-172.6 20.8 1.4 17.4 38 38 A E T 3 S- 0 0 162 1,-0.3 -2,-0.0 -2,-0.3 24,-0.0 -0.381 128.0 -8.8 -57.6 114.7 19.9 4.8 18.8 39 39 A D T 3 S+ 0 0 47 -2,-0.3 23,-0.4 1,-0.2 -1,-0.3 0.739 90.6 160.7 68.6 25.7 17.1 6.2 16.7 40 40 A S < + 0 0 7 -3,-1.9 -6,-2.0 21,-0.1 -5,-0.4 -0.574 34.1 54.7 -76.4 142.1 17.3 3.5 13.9 41 41 A G E S-F 33 0B 24 -8,-0.2 20,-1.8 -2,-0.2 21,-0.3 -0.874 77.4 -71.8 133.6-163.9 14.2 3.2 11.7 42 42 A A E -FG 32 60B 38 -10,-1.4 -10,-3.4 -2,-0.3 2,-0.3 -0.888 36.1-101.8-132.7 159.1 12.0 5.2 9.5 43 43 A V E -F 31 0B 5 16,-2.9 15,-2.9 -2,-0.3 -12,-0.3 -0.642 20.0-169.1 -79.0 132.4 9.3 7.9 9.6 44 44 A A E - 0 0 30 -14,-3.1 2,-0.3 1,-0.4 13,-0.2 0.834 68.1 -44.0 -85.2 -46.0 5.7 6.7 9.2 45 45 A T E -F 30 0B 19 -15,-1.5 -15,-3.1 11,-0.1 -1,-0.4 -0.966 51.3-146.3-170.5 175.7 4.4 10.3 8.8 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.973 28.3-101.2-149.2 156.7 4.6 13.8 10.2 47 47 A N > - 0 0 0 -19,-2.4 4,-1.8 -2,-0.3 3,-0.2 -0.217 44.8 -99.2 -74.0 171.4 2.2 16.7 10.7 48 48 A Y H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.839 121.3 61.3 -64.9 -33.1 2.3 19.6 8.3 49 49 A E H 4 S+ 0 0 52 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.928 109.2 43.1 -57.3 -47.4 4.4 21.7 10.6 50 50 A A H >4>S+ 0 0 0 -22,-0.2 5,-1.4 -24,-0.2 3,-1.2 0.830 107.1 61.0 -66.4 -34.8 7.2 19.1 10.4 51 51 A R H ><5S+ 0 0 83 -4,-1.8 3,-2.0 1,-0.3 -1,-0.2 0.801 89.3 69.3 -63.7 -31.0 6.8 18.7 6.6 52 52 A K T 3<5S+ 0 0 148 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.776 101.7 49.0 -54.6 -27.2 7.7 22.3 6.1 53 53 A F T < 5S- 0 0 124 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.295 128.2 -97.6 -99.4 7.5 11.2 21.2 7.2 54 54 A G T < 5S+ 0 0 35 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.439 77.2 138.2 95.1 4.8 11.4 18.2 4.9 55 55 A V < + 0 0 0 -5,-1.4 -1,-0.3 12,-0.1 2,-0.3 -0.712 25.4 137.4 -85.8 124.9 10.3 15.4 7.3 56 56 A K > - 0 0 116 -2,-0.5 3,-1.6 -11,-0.1 -13,-0.3 -0.960 54.8 -49.0-158.1 174.3 7.9 13.0 5.7 57 57 A A T 3 S+ 0 0 62 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.120 114.3 21.8 -51.8 132.2 7.0 9.3 5.3 58 58 A G T 3 S+ 0 0 57 -15,-2.9 -1,-0.2 1,-0.3 -14,-0.1 -0.042 86.8 117.7 105.6 -31.6 9.9 7.0 4.4 59 59 A I S < S- 0 0 23 -3,-1.6 -16,-2.9 -17,-0.1 -1,-0.3 -0.399 71.8-100.2 -76.8 149.3 13.0 8.9 5.5 60 60 A P B >> -G 42 0B 69 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.388 26.0-124.6 -63.4 142.5 15.3 7.5 8.2 61 61 A I H 3> S+ 0 0 0 -20,-1.8 4,-2.4 1,-0.2 5,-0.2 0.868 110.8 58.1 -55.0 -39.8 14.8 9.0 11.7 62 62 A V H 3> S+ 0 0 57 -23,-0.4 4,-0.9 -21,-0.3 -1,-0.2 0.837 108.2 46.5 -63.6 -33.3 18.4 10.0 11.9 63 63 A E H <> S+ 0 0 81 -3,-0.6 4,-1.5 2,-0.2 3,-0.3 0.900 109.9 53.1 -75.0 -39.9 18.0 12.1 8.7 64 64 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.886 107.1 53.0 -57.0 -41.9 14.8 13.7 10.0 65 65 A K H < S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.775 103.9 57.8 -70.5 -23.2 16.6 14.7 13.2 66 66 A K H < S+ 0 0 153 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.886 117.5 30.8 -70.1 -39.9 19.3 16.4 11.1 67 67 A I H < S+ 0 0 66 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.591 137.9 22.2 -96.5 -13.7 16.8 18.7 9.4 68 68 A L >< + 0 0 12 -4,-1.7 3,-0.7 -5,-0.2 -1,-0.2 -0.357 61.5 154.8-151.4 65.3 14.4 18.9 12.3 69 69 A P T 3 + 0 0 95 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.848 69.0 67.7 -64.8 -26.1 15.9 18.2 15.7 70 70 A N T 3 S+ 0 0 145 -5,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.762 79.8 99.5 -69.8 -19.6 13.3 20.3 17.6 71 71 A A S < S- 0 0 13 -3,-0.7 2,-0.7 1,-0.1 -43,-0.2 0.071 80.8 -99.0 -69.4 164.8 10.1 18.2 16.9 72 72 A V E -e 28 0B 54 -45,-2.2 -43,-3.2 -49,-0.1 2,-0.6 -0.771 36.4-159.2 -83.0 114.5 8.2 15.6 19.0 73 73 A Y E -e 29 0B 30 -2,-0.7 -43,-0.2 -45,-0.2 -45,-0.0 -0.890 14.4-174.2 -96.9 118.0 9.3 12.2 17.8 74 74 A L E -e 30 0B 39 -45,-3.0 -43,-3.7 -2,-0.6 2,-0.1 -0.922 26.9-114.5-119.7 140.5 6.7 9.5 18.8 75 75 A P E -e 31 0B 72 0, 0.0 2,-0.2 0, 0.0 -43,-0.2 -0.450 44.3-101.6 -66.7 139.8 6.7 5.7 18.4 76 76 A M - 0 0 61 -45,-2.5 2,-0.5 -2,-0.1 -43,-0.1 -0.490 31.3-165.4 -66.9 127.2 4.1 4.5 16.0 77 77 A R >> + 0 0 98 -2,-0.2 4,-1.4 1,-0.2 3,-1.2 -0.634 13.5 173.6-112.8 68.8 1.0 3.1 17.9 78 78 A K H 3> S+ 0 0 96 -2,-0.5 4,-2.6 1,-0.3 5,-0.2 0.836 71.8 58.9 -49.8 -47.8 -0.7 1.2 15.1 79 79 A E H 3> S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.853 106.4 48.7 -47.9 -46.2 -3.4 -0.4 17.3 80 80 A V H <> S+ 0 0 31 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.892 110.9 49.1 -66.2 -41.2 -4.7 3.0 18.4 81 81 A Y H X S+ 0 0 0 -4,-1.4 4,-2.9 -3,-0.2 -2,-0.2 0.882 109.8 52.6 -67.6 -36.4 -4.8 4.4 14.8 82 82 A Q H X S+ 0 0 80 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.883 107.1 52.5 -65.9 -38.9 -6.7 1.3 13.6 83 83 A Q H X S+ 0 0 106 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.961 112.8 44.0 -58.4 -51.4 -9.3 1.8 16.4 84 84 A V H X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.925 114.0 51.4 -59.6 -46.3 -9.8 5.4 15.3 85 85 A S H X S+ 0 0 3 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.942 107.0 52.8 -55.5 -50.8 -9.9 4.3 11.6 86 86 A S H X S+ 0 0 50 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.886 108.7 49.3 -56.5 -44.7 -12.5 1.6 12.2 87 87 A R H X S+ 0 0 118 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.918 113.5 46.5 -60.2 -46.6 -14.9 4.0 14.0 88 88 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 3,-0.3 0.928 109.5 53.5 -62.2 -45.5 -14.6 6.5 11.1 89 89 A M H X S+ 0 0 6 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.855 108.2 51.5 -58.7 -34.3 -15.1 3.8 8.4 90 90 A N H X S+ 0 0 90 -4,-1.8 4,-0.6 -5,-0.3 -1,-0.2 0.818 106.9 53.4 -70.2 -32.2 -18.3 2.8 10.2 91 91 A L H >< S+ 0 0 18 -4,-1.5 3,-1.0 -3,-0.3 4,-0.2 0.926 108.3 50.3 -63.1 -46.8 -19.4 6.5 10.2 92 92 A L H >X S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 4,-0.7 0.832 98.6 66.0 -60.1 -37.3 -18.9 6.6 6.4 93 93 A R H >< S+ 0 0 124 -4,-1.5 3,-0.6 1,-0.3 -1,-0.2 0.792 92.1 64.8 -53.9 -30.9 -20.9 3.4 5.9 94 94 A E T << S+ 0 0 150 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.612 100.0 50.6 -71.3 -14.5 -23.9 5.4 7.1 95 95 A Y T <4 S+ 0 0 46 -3,-2.0 2,-0.2 1,-0.3 -1,-0.2 0.605 125.6 3.8 -97.6 -15.5 -23.7 7.6 4.0 96 96 A S << - 0 0 3 -4,-0.7 -1,-0.3 -3,-0.6 15,-0.1 -0.828 46.1-149.5-171.3 133.7 -23.5 4.8 1.4 97 97 A E S S+ 0 0 139 -2,-0.2 2,-1.3 1,-0.2 -1,-0.1 0.719 92.3 76.0 -73.4 -25.1 -23.7 1.0 1.2 98 98 A K + 0 0 101 12,-0.4 12,-2.6 2,-0.0 2,-0.4 -0.729 69.6 147.8 -89.4 87.8 -21.4 1.1 -1.9 99 99 A I E -C 109 0A 11 -2,-1.3 2,-0.5 10,-0.2 10,-0.2 -0.946 35.1-161.0-125.3 143.3 -18.1 1.8 -0.1 100 100 A E E -C 108 0A 6 8,-2.6 8,-2.3 -2,-0.4 2,-0.6 -0.909 10.9-152.5-126.6 103.7 -14.5 0.8 -0.9 101 101 A I E +C 107 0A 48 -2,-0.5 6,-0.3 6,-0.2 139,-0.1 -0.649 18.3 177.3 -73.5 114.2 -12.1 0.9 2.0 102 102 A A E - 0 0 18 4,-1.8 2,-0.3 -2,-0.6 5,-0.2 0.686 56.3 -21.4 -97.8 -20.0 -8.8 1.5 0.3 103 103 A S E > S-C 106 0A 46 3,-1.3 3,-0.8 0, 0.0 -1,-0.2 -0.936 86.2 -65.3-168.8-176.9 -6.3 1.8 3.2 104 104 A I T 3 S+ 0 0 36 -2,-0.3 3,-0.0 1,-0.2 -3,-0.0 0.726 135.0 20.0 -58.2 -18.3 -6.1 2.6 6.9 105 105 A D T 3 S+ 0 0 25 -97,-0.0 -97,-2.2 -17,-0.0 2,-0.4 0.162 110.1 78.9-141.9 22.1 -7.3 6.2 6.1 106 106 A E E < +AC 7 103A 29 -3,-0.8 -4,-1.8 -99,-0.2 -3,-1.3 -0.997 41.6 167.0-137.2 137.9 -9.0 6.2 2.7 107 107 A A E -AC 6 101A 0 -101,-2.0 -101,-2.8 -2,-0.4 2,-0.4 -0.979 20.8-147.0-150.5 143.3 -12.4 5.2 1.4 108 108 A Y E -AC 5 100A 17 -8,-2.3 -8,-2.6 -2,-0.3 2,-0.4 -0.902 13.7-163.1-104.7 136.1 -14.4 5.7 -1.8 109 109 A L E -AC 4 99A 0 -105,-3.5 -105,-3.1 -2,-0.4 2,-0.9 -0.980 14.8-143.9-118.2 131.7 -18.2 6.1 -1.7 110 110 A D E +A 3 0A 34 -12,-2.6 -12,-0.4 -2,-0.4 3,-0.2 -0.849 28.1 167.6 -87.7 107.7 -20.5 5.7 -4.7 111 111 A I >> + 0 0 0 -109,-2.2 3,-1.8 -2,-0.9 4,-1.7 0.109 34.1 119.6-110.3 19.3 -23.1 8.3 -4.0 112 112 A S T 34 S+ 0 0 39 -110,-0.6 -1,-0.2 1,-0.3 -109,-0.1 0.805 84.1 40.4 -53.2 -34.7 -24.7 8.3 -7.5 113 113 A D T 34 S+ 0 0 134 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.371 112.5 57.2 -95.0 0.9 -28.1 7.2 -5.9 114 114 A K T <4 S+ 0 0 95 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.684 110.4 32.3-101.6 -26.6 -27.8 9.5 -2.9 115 115 A V < - 0 0 15 -4,-1.7 -1,-0.2 1,-0.1 3,-0.1 -0.981 61.1-145.3-136.9 147.8 -27.4 12.9 -4.6 116 116 A R S S- 0 0 213 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.740 78.2 -8.9 -80.2 -27.2 -28.7 14.4 -7.8 117 117 A D S > S- 0 0 71 1,-0.0 4,-2.2 -115,-0.0 5,-0.1 -0.906 79.7 -80.1-161.8 177.9 -25.7 16.5 -8.7 118 118 A Y H > S+ 0 0 51 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.783 120.7 58.9 -66.0 -32.4 -22.3 18.0 -7.7 119 119 A R H > S+ 0 0 201 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.940 111.1 41.4 -61.1 -49.3 -23.9 20.8 -5.6 120 120 A E H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.869 112.3 56.0 -66.0 -37.3 -25.7 18.2 -3.4 121 121 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.916 105.9 51.5 -59.1 -41.9 -22.5 16.0 -3.4 122 122 A Y H X S+ 0 0 95 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.958 108.5 49.9 -63.3 -47.6 -20.6 19.0 -2.0 123 123 A N H X S+ 0 0 92 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.879 110.9 50.7 -56.9 -42.1 -23.2 19.5 0.8 124 124 A L H X S+ 0 0 25 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.858 106.2 55.3 -63.6 -38.3 -22.9 15.7 1.6 125 125 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.911 108.9 47.4 -59.2 -43.1 -19.1 16.0 1.7 126 126 A L H X S+ 0 0 61 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.923 110.0 52.4 -66.9 -41.5 -19.4 18.8 4.3 127 127 A E H X S+ 0 0 110 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.904 111.3 47.7 -57.6 -42.6 -21.9 16.8 6.4 128 128 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.946 113.1 47.2 -64.9 -47.8 -19.4 13.9 6.4 129 129 A K H X S+ 0 0 20 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 114.1 48.1 -57.8 -45.1 -16.5 16.2 7.4 130 130 A N H X S+ 0 0 90 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.933 111.6 49.6 -62.8 -44.9 -18.6 17.8 10.1 131 131 A K H X S+ 0 0 62 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.917 112.2 46.6 -62.0 -46.3 -19.7 14.4 11.4 132 132 A I H X>S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 6,-0.7 0.938 113.4 49.0 -64.7 -44.3 -16.2 12.9 11.6 133 133 A L H X5S+ 0 0 75 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.881 113.4 48.6 -59.4 -38.3 -14.9 16.1 13.2 134 134 A E H <5S+ 0 0 118 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.964 121.0 33.4 -66.3 -53.7 -17.8 15.9 15.8 135 135 A K H <5S+ 0 0 113 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.803 138.7 14.5 -74.8 -36.9 -17.4 12.2 16.7 136 136 A E H <5S- 0 0 33 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.517 87.1-126.6-121.0 -7.0 -13.6 11.8 16.4 137 137 A K << + 0 0 136 -4,-1.2 2,-0.5 -5,-0.7 -4,-0.2 0.776 66.3 136.9 57.3 30.8 -12.1 15.3 16.3 138 138 A I - 0 0 2 -6,-0.7 2,-0.3 -9,-0.1 -1,-0.2 -0.916 48.2-143.6-109.7 126.4 -10.3 14.2 13.1 139 139 A T - 0 0 22 -2,-0.5 -130,-2.1 -130,-0.1 2,-0.3 -0.685 23.7-177.0 -84.5 144.6 -10.1 16.5 10.0 140 140 A V E -B 8 0A 2 -2,-0.3 2,-0.5 -132,-0.3 -132,-0.2 -0.924 24.1-122.7-136.9 161.5 -10.3 14.9 6.6 141 141 A T E -B 7 0A 0 -134,-2.8 -134,-1.8 -2,-0.3 2,-0.5 -0.932 21.6-153.7-109.3 133.2 -10.2 15.9 3.0 142 142 A V E -Bd 6 163A 0 20,-2.1 22,-2.0 -2,-0.5 2,-0.4 -0.912 8.0-170.8-108.3 128.7 -13.0 15.1 0.6 143 143 A G E -Bd 5 164A 0 -138,-2.5 -138,-3.2 -2,-0.5 2,-0.4 -0.970 6.2-171.1-114.9 136.6 -12.6 14.7 -3.2 144 144 A I E +Bd 4 165A 0 20,-2.4 22,-2.7 -2,-0.4 2,-0.3 -0.989 22.4 120.9-133.7 124.5 -15.6 14.4 -5.5 145 145 A S E -B 3 0A 0 -142,-2.0 -142,-3.0 -2,-0.4 22,-0.1 -0.888 68.9 -73.6-159.8-163.2 -15.7 13.6 -9.2 146 146 A K S S+ 0 0 48 20,-0.4 2,-0.3 -2,-0.3 -142,-0.1 0.645 106.9 9.4 -81.3 -19.4 -17.1 11.3 -11.9 147 147 A N S > S- 0 0 5 -144,-0.2 4,-1.7 -145,-0.0 -144,-0.2 -0.895 85.8 -90.4-151.1 177.5 -14.8 8.2 -11.0 148 148 A K H > S+ 0 0 21 87,-0.4 4,-1.9 -2,-0.3 5,-0.2 0.847 116.9 52.7 -64.6 -39.8 -12.4 7.0 -8.4 149 149 A V H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.955 113.5 41.3 -68.3 -48.5 -9.2 8.4 -10.0 150 150 A F H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.791 111.6 56.3 -72.1 -25.7 -10.4 11.9 -10.3 151 151 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.892 110.3 46.0 -67.4 -38.4 -12.1 11.9 -6.9 152 152 A K H X S+ 0 0 38 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.895 111.4 50.8 -70.3 -41.8 -8.7 10.9 -5.4 153 153 A I H X S+ 0 0 4 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.882 106.6 56.5 -60.1 -39.8 -6.9 13.6 -7.4 154 154 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.908 107.4 47.7 -57.3 -44.6 -9.5 16.1 -6.1 155 155 A A H X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.877 107.7 56.2 -63.9 -38.7 -8.6 15.2 -2.5 156 156 A D H < S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.867 109.3 46.4 -58.5 -40.2 -4.9 15.6 -3.4 157 157 A M H < S+ 0 0 84 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.752 116.1 45.2 -70.5 -29.9 -5.4 19.1 -4.6 158 158 A A H < S+ 0 0 25 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.571 88.8 159.9 -96.6 -10.1 -7.6 20.0 -1.6 159 159 A K < + 0 0 80 -4,-1.3 2,-0.1 -3,-0.1 4,-0.0 -0.333 43.8 39.9 -59.3 137.3 -5.3 18.5 1.2 160 160 A P S S- 0 0 58 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.595 133.3 -22.1 -94.4 164.6 -5.3 19.2 4.3 161 161 A N S S+ 0 0 94 1,-0.2 -20,-0.2 -2,-0.1 2,-0.2 0.843 104.2 133.1 46.5 44.9 -8.8 19.7 5.7 162 162 A G - 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0 0 34 -2,-0.8 4,-2.9 -3,-0.1 5,-0.2 -0.315 50.4 -75.4-103.3-171.0 5.3 6.4 -9.8 188 188 A N H > S+ 0 0 141 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.884 127.3 46.9 -53.5 -49.4 8.9 7.4 -10.4 189 189 A I H > S+ 0 0 125 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.927 116.5 42.5 -62.4 -50.0 9.8 4.4 -12.5 190 190 A T H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.892 113.3 54.1 -64.1 -40.0 6.7 4.5 -14.8 191 191 A A H X S+ 0 0 12 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.871 107.1 50.0 -61.8 -41.3 6.9 8.3 -15.1 192 192 A E H X S+ 0 0 102 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.860 109.9 50.2 -69.3 -37.6 10.6 8.2 -16.3 193 193 A K H >X S+ 0 0 77 -4,-1.6 4,-0.8 2,-0.2 3,-0.6 0.887 111.4 49.5 -61.8 -43.6 9.7 5.6 -18.9 194 194 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 3,-0.8 0.887 102.5 61.4 -62.9 -41.2 6.8 7.8 -20.0 195 195 A K H 3<5S+ 0 0 115 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.775 102.3 53.8 -52.5 -29.2 9.3 10.8 -20.2 196 196 A K H <<5S+ 0 0 157 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.778 105.4 50.9 -80.0 -28.3 11.1 8.7 -22.8 197 197 A L T <<5S- 0 0 32 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.351 121.0-106.5 -88.5 3.7 8.1 8.3 -25.0 198 198 A G T 5S+ 0 0 44 -3,-0.5 2,-0.8 -4,-0.4 -3,-0.2 0.428 75.4 142.8 85.0 1.8 7.4 12.0 -24.9 199 199 A I < + 0 0 2 -5,-2.1 -1,-0.2 1,-0.2 -2,-0.2 -0.664 2.6 139.7 -88.1 107.7 4.4 11.4 -22.6 200 200 A N + 0 0 60 -2,-0.8 -20,-2.7 1,-0.2 2,-0.3 0.614 65.7 41.6-114.6 -26.5 4.1 14.1 -19.9 201 201 A K B >> S-H 179 0C 73 -22,-0.2 3,-1.0 -21,-0.1 4,-0.5 -0.876 84.6-113.0-123.9 155.8 0.4 14.6 -19.8 202 202 A L G >4 S+ 0 0 0 -24,-0.7 3,-1.6 -28,-0.4 4,-0.2 0.895 116.7 59.8 -51.2 -42.4 -2.6 12.1 -19.8 203 203 A V G >4 S+ 0 0 7 -28,-2.3 3,-1.8 1,-0.3 4,-0.4 0.779 90.4 69.0 -59.4 -31.4 -3.6 13.6 -23.2 204 204 A D G X> S+ 0 0 39 -3,-1.0 3,-0.8 1,-0.3 4,-0.5 0.750 87.0 68.8 -58.7 -25.6 -0.2 12.6 -24.8 205 205 A T G << S+ 0 0 1 -3,-1.6 -1,-0.3 -4,-0.5 3,-0.2 0.698 88.5 65.3 -69.3 -17.8 -1.2 8.9 -24.4 206 206 A L G <4 S+ 0 0 29 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.776 102.2 45.2 -76.5 -26.1 -3.9 9.4 -27.1 207 207 A S T <4 S+ 0 0 3 -3,-0.8 2,-0.3 -4,-0.4 311,-0.2 0.543 93.8 95.7 -95.8 -9.8 -1.4 10.1 -30.0 208 208 A I S < S- 0 0 14 -4,-0.5 2,-0.1 -3,-0.2 5,-0.0 -0.606 86.5 -99.9 -89.4 140.5 1.0 7.3 -29.2 209 209 A E >> - 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