==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REPLICATION, TRANSFERASE/DNA 10-SEP-07 2R8G . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR Y.WANG,S.SALEH,L.J.MARNETTE,M.EGLI,M.P.STONE . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 70.4 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 . 59 17.3 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 . 1 0.3 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 . 2 0.6 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 . 23 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 31.4 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 1 1 2 1 0 2 0 0 1 0 1 0 1 1 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 1 0 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 84 0, 0.0 2,-0.5 0, 0.0 115,-0.0 0.000 360.0 360.0 360.0 109.9 0.5 33.6 12.8 2 2 A I - 0 0 13 2,-0.0 109,-1.9 142,-0.0 2,-0.4 -0.947 360.0-170.0-120.0 116.6 2.4 36.1 10.7 3 3 A V E -AB 110 145A 0 142,-3.3 142,-1.8 -2,-0.5 2,-0.6 -0.882 7.3-160.7-110.0 134.8 6.1 36.6 11.1 4 4 A L E -AB 109 144A 0 105,-2.5 105,-2.3 -2,-0.4 2,-0.5 -0.936 8.6-163.9-114.2 113.7 8.1 39.4 9.6 5 5 A F E -AB 108 143A 0 138,-3.3 138,-2.2 -2,-0.6 2,-0.5 -0.834 0.6-162.7-100.5 129.3 11.9 38.9 9.2 6 6 A V E +AB 107 142A 0 101,-3.0 101,-0.9 -2,-0.5 2,-0.5 -0.949 8.7 179.5-114.5 126.1 14.3 41.8 8.6 7 7 A D E -AB 106 141A 11 134,-2.3 134,-1.8 -2,-0.5 2,-0.2 -0.935 25.2-134.4-127.4 107.7 17.8 41.2 7.3 8 8 A F E > - B 0 140A 4 97,-1.6 3,-1.1 -2,-0.5 132,-0.2 -0.412 33.9-109.7 -63.8 125.8 20.1 44.3 6.7 9 9 A D T 3 S- 0 0 4 130,-2.0 5,-0.3 1,-0.3 130,-0.1 -0.307 80.9 -27.7 -64.9 132.9 21.9 44.0 3.3 10 10 A Y T 3> S- 0 0 42 3,-0.1 4,-2.9 -2,-0.1 -1,-0.3 0.835 88.0-166.3 26.4 51.4 25.6 43.3 3.2 11 11 A F H <> + 0 0 6 -3,-1.1 4,-2.3 1,-0.2 5,-0.2 0.719 68.5 40.3 -33.5 -67.0 25.5 45.1 6.5 12 12 A Y H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.964 119.1 48.3 -55.5 -52.4 29.1 46.0 7.5 13 13 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.955 112.0 50.1 -51.4 -53.9 29.9 47.0 4.0 14 14 A Q H X S+ 0 0 7 -4,-2.9 4,-3.1 -5,-0.3 -1,-0.2 0.848 109.1 51.0 -56.7 -35.7 26.8 49.1 3.7 15 15 A V H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.931 109.7 49.1 -68.1 -41.8 27.5 50.9 7.0 16 16 A E H < S+ 0 0 10 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.813 113.0 50.7 -62.9 -30.2 31.0 51.8 5.8 17 17 A E H >< S+ 0 0 6 -4,-1.9 3,-1.6 -5,-0.3 6,-0.3 0.955 108.4 49.3 -70.3 -54.3 29.3 53.0 2.6 18 18 A V H 3< S+ 0 0 44 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.901 109.7 52.8 -52.2 -44.8 26.8 55.1 4.5 19 19 A L T 3< S+ 0 0 92 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.621 124.9 25.5 -68.2 -14.5 29.6 56.7 6.5 20 20 A N S X S- 0 0 76 -3,-1.6 3,-3.0 -4,-0.4 4,-0.3 -0.558 71.2-172.9-150.1 76.5 31.5 57.6 3.3 21 21 A P G > S+ 0 0 88 0, 0.0 3,-1.5 0, 0.0 -3,-0.1 0.706 78.3 75.1 -44.0 -30.9 29.0 57.9 0.4 22 22 A S G 3 S+ 0 0 76 1,-0.3 4,-0.2 -4,-0.1 -5,-0.1 0.792 88.6 64.1 -56.7 -25.5 31.8 58.3 -2.2 23 23 A L G X S+ 0 0 10 -3,-3.0 3,-2.2 -6,-0.3 -1,-0.3 0.801 75.1 109.2 -68.4 -31.1 32.2 54.5 -1.7 24 24 A K T < S+ 0 0 147 -3,-1.5 -10,-0.0 -4,-0.3 0, 0.0 -0.134 81.2 24.1 -48.6 136.5 28.8 53.7 -3.1 25 25 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 -0.083 103.4 96.5 97.9 -37.4 29.1 52.0 -6.4 26 26 A K S < S- 0 0 95 -3,-2.2 2,-0.7 -4,-0.2 -1,-0.3 -0.434 87.9 -96.1 -84.8 160.5 32.7 50.7 -5.9 27 27 A P - 0 0 38 0, 0.0 45,-1.7 0, 0.0 2,-0.4 -0.688 46.5-166.5 -80.0 114.4 33.5 47.1 -4.7 28 28 A V E -e 72 0B 0 -2,-0.7 19,-1.8 43,-0.2 2,-0.5 -0.867 12.7-171.9-108.9 134.8 34.0 47.3 -0.9 29 29 A V E -eF 73 46B 0 43,-2.8 45,-1.5 -2,-0.4 2,-0.7 -0.965 12.1-152.3-127.0 115.3 35.6 44.6 1.3 30 30 A V E -eF 74 45B 0 15,-2.2 14,-2.5 -2,-0.5 15,-1.2 -0.785 26.9-162.1 -88.8 117.5 35.5 45.0 5.1 31 31 A C E -eF 75 43B 1 43,-3.5 45,-1.9 -2,-0.7 2,-0.5 -0.589 29.9-149.9-108.0 162.8 38.5 43.1 6.5 32 32 A V E - F 0 42B 70 10,-2.0 10,-1.4 -2,-0.2 2,-0.6 -0.886 25.4-155.8-125.7 93.7 39.8 41.7 9.8 33 33 A F E - F 0 41B 87 -2,-0.5 8,-0.3 8,-0.2 7,-0.0 -0.630 8.2-160.4 -76.5 115.4 43.6 42.0 9.6 34 34 A S - 0 0 32 6,-1.5 7,-0.2 -2,-0.6 -1,-0.1 0.678 27.5-134.8 -69.0 -17.5 45.3 39.4 11.8 35 35 A G S S+ 0 0 35 5,-0.7 -1,-0.1 2,-0.1 6,-0.1 0.511 71.3 119.8 76.2 1.5 48.6 41.4 11.8 36 36 A R S S- 0 0 52 215,-0.1 2,-0.1 4,-0.1 216,-0.1 0.997 87.0 -31.0 -60.2 -66.0 50.6 38.3 11.2 37 37 A F S S- 0 0 138 1,-0.0 2,-0.7 0, 0.0 3,-0.4 -0.169 100.8 -35.0-127.2-140.0 52.1 39.5 7.9 38 38 A E S S- 0 0 152 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 -0.839 125.9 -10.4 -97.1 117.0 51.0 41.8 5.0 39 39 A D S S+ 0 0 49 -2,-0.7 23,-0.4 1,-0.2 2,-0.3 0.757 91.8 160.1 69.7 25.0 47.3 41.5 4.2 40 40 A S + 0 0 3 -3,-0.4 -6,-1.5 21,-0.1 -5,-0.7 -0.607 34.4 56.9 -78.1 138.4 47.0 38.5 6.6 41 41 A G E S-F 33 0B 27 -2,-0.3 20,-1.4 -8,-0.3 21,-0.3 -0.951 76.2 -81.6 140.8-162.1 43.4 37.9 7.7 42 42 A A E -FG 32 60B 35 -10,-1.4 -10,-2.0 -2,-0.3 2,-0.6 -0.865 37.0 -92.1-139.5 173.3 40.0 37.3 6.3 43 43 A V E -F 31 0B 5 16,-2.0 15,-2.2 13,-0.3 -12,-0.2 -0.789 21.4-168.8 -92.9 122.2 37.0 39.0 4.8 44 44 A A E S- 0 0 29 -14,-2.5 2,-0.3 -2,-0.6 13,-0.2 0.887 70.6 -47.3 -73.1 -39.5 34.2 40.0 7.2 45 45 A T E -F 30 0B 21 -15,-1.2 -15,-2.2 11,-0.1 -1,-0.3 -0.960 53.0-144.8-179.5 172.2 31.9 40.8 4.3 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.987 23.6-107.4-150.8 156.0 31.7 42.6 1.0 47 47 A N >> - 0 0 0 -19,-1.8 4,-2.8 -2,-0.3 3,-1.5 -0.305 43.3 -99.0 -79.2 172.5 29.1 44.5 -1.0 48 48 A Y H 3> S+ 0 0 61 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.824 119.8 67.0 -62.1 -31.8 27.5 43.0 -4.1 49 49 A E H 34 S+ 0 0 57 -23,-0.2 -1,-0.3 1,-0.2 4,-0.0 0.796 116.9 29.3 -60.8 -22.6 29.9 44.8 -6.4 50 50 A A H X4>S+ 0 0 0 -3,-1.5 5,-1.5 -22,-0.2 3,-1.3 0.732 112.8 66.0-103.6 -31.4 32.5 42.6 -4.9 51 51 A R H ><5S+ 0 0 77 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.862 92.9 60.5 -59.0 -39.1 30.3 39.7 -4.1 52 52 A K T 3<5S+ 0 0 145 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.672 101.9 53.8 -67.1 -14.2 29.6 38.9 -7.8 53 53 A F T < 5S- 0 0 112 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.234 127.2 -96.5-101.8 12.2 33.3 38.3 -8.4 54 54 A G T < 5S+ 0 0 41 -3,-1.9 2,-0.9 1,-0.2 -3,-0.2 0.350 78.7 138.6 94.3 -8.2 33.5 35.8 -5.6 55 55 A V < + 0 0 0 -5,-1.5 2,-0.3 -7,-0.1 -1,-0.2 -0.630 31.6 148.6 -75.1 107.6 34.8 38.0 -2.8 56 56 A K > - 0 0 127 -2,-0.9 3,-1.2 -3,-0.1 -13,-0.3 -0.887 52.9 -67.0-138.2 168.4 32.8 36.9 0.2 57 57 A A T 3 S+ 0 0 60 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.276 114.3 28.3 -56.7 130.7 32.9 36.5 4.0 58 58 A G T 3 S+ 0 0 58 -15,-2.2 -1,-0.2 1,-0.4 3,-0.1 -0.224 86.4 111.7 114.3 -45.9 35.4 33.8 5.0 59 59 A I S < S- 0 0 29 -3,-1.2 -16,-2.0 -17,-0.1 -1,-0.4 -0.181 77.7 -95.2 -61.9 155.4 38.0 33.9 2.2 60 60 A P B > -G 42 0B 63 0, 0.0 4,-1.2 0, 0.0 3,-0.4 -0.376 27.0-122.0 -69.7 154.0 41.5 35.2 3.0 61 61 A I H > S+ 0 0 0 -20,-1.4 4,-2.3 1,-0.2 5,-0.2 0.861 113.2 59.7 -64.0 -33.2 42.2 38.8 2.2 62 62 A V H > S+ 0 0 60 -23,-0.4 4,-1.4 -21,-0.3 -1,-0.2 0.845 102.6 49.9 -63.4 -35.7 45.0 37.7 -0.0 63 63 A E H > S+ 0 0 91 -3,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.798 113.0 47.7 -73.9 -26.8 42.6 35.7 -2.2 64 64 A A H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.831 108.2 54.0 -79.7 -33.5 40.4 38.7 -2.5 65 65 A K H < S+ 0 0 53 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.838 106.9 54.1 -67.2 -33.0 43.4 40.9 -3.3 66 66 A K H < S+ 0 0 133 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.781 114.0 39.3 -71.2 -32.1 44.2 38.5 -6.1 67 67 A I H < S+ 0 0 75 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.1 0.888 133.5 17.3 -86.4 -46.3 40.7 38.8 -7.6 68 68 A L >< + 0 0 26 -4,-2.5 3,-1.7 1,-0.1 -1,-0.2 -0.627 66.2 169.2-128.3 73.5 39.9 42.5 -7.2 69 69 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.824 77.9 51.5 -56.1 -31.8 43.2 44.3 -6.6 70 70 A N T 3 S+ 0 0 156 2,-0.1 2,-0.2 -5,-0.0 -5,-0.1 0.121 83.4 113.2 -96.4 24.8 41.7 47.7 -7.0 71 71 A A S < S- 0 0 10 -3,-1.7 2,-0.4 -6,-0.1 -43,-0.2 -0.609 77.3 -97.5 -91.3 156.5 38.8 47.3 -4.6 72 72 A V E -e 28 0B 42 -45,-1.7 -43,-2.8 -2,-0.2 2,-0.6 -0.611 35.4-161.3 -77.8 127.6 38.5 49.4 -1.4 73 73 A Y E +e 29 0B 44 -2,-0.4 -43,-0.2 -45,-0.2 -45,-0.1 -0.903 11.7 180.0-115.6 104.3 39.8 47.5 1.7 74 74 A L E -e 30 0B 35 -45,-1.5 -43,-3.5 -2,-0.6 3,-0.1 -0.801 29.4-115.7-105.0 143.6 38.6 48.8 5.0 75 75 A P E -e 31 0B 71 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.352 42.8 -98.1 -70.8 155.4 39.5 47.5 8.5 76 76 A M - 0 0 64 -45,-1.9 2,-0.6 -46,-0.1 -43,-0.1 -0.616 32.0-167.4 -80.0 131.0 36.5 46.2 10.5 77 77 A R > + 0 0 93 -2,-0.4 4,-1.5 1,-0.2 3,-0.1 -0.768 9.7 176.2-119.2 83.5 35.0 48.6 13.0 78 78 A K H > S+ 0 0 91 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.889 72.5 58.1 -52.7 -49.6 32.7 46.4 15.1 79 79 A E H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.927 105.1 50.0 -49.7 -56.4 31.7 49.1 17.6 80 80 A V H >> S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.942 109.6 49.2 -48.6 -59.5 30.3 51.5 15.0 81 81 A Y H 3X S+ 0 0 0 -4,-1.5 4,-2.9 1,-0.3 -1,-0.2 0.869 106.7 59.7 -50.6 -39.6 28.2 48.8 13.3 82 82 A Q H 3X S+ 0 0 88 -4,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.906 106.6 44.0 -57.9 -45.2 26.8 47.9 16.7 83 83 A Q H X S+ 0 0 2 -4,-2.9 4,-2.2 -5,-0.3 3,-0.7 0.982 109.2 47.6 -59.4 -58.0 22.3 48.3 14.4 86 86 A S H 3X S+ 0 0 46 -4,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.850 107.0 56.2 -54.8 -38.4 20.7 49.1 17.7 87 87 A R H 3X S+ 0 0 107 -4,-1.6 4,-1.5 1,-0.2 -1,-0.3 0.899 109.8 47.3 -61.8 -37.2 19.3 52.4 16.4 88 88 A I H X S+ 0 0 89 -4,-1.8 3,-1.0 1,-0.2 4,-0.9 0.926 103.0 53.2 -69.4 -42.3 14.6 50.7 18.0 91 91 A L H 3< S+ 0 0 31 -4,-1.5 3,-0.3 1,-0.3 -1,-0.2 0.798 105.8 57.0 -61.9 -25.2 12.8 51.9 14.9 92 92 A L H >< S+ 0 0 1 -4,-1.3 3,-0.8 1,-0.2 -1,-0.3 0.768 94.5 64.2 -76.6 -25.3 11.6 48.3 14.6 93 93 A R H X< S+ 0 0 118 -3,-1.0 3,-1.7 -4,-0.9 2,-0.4 0.809 87.6 71.9 -65.6 -28.5 10.0 48.5 18.1 94 94 A E T 3< S+ 0 0 134 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.1 0.030 101.2 45.6 -76.0 29.9 7.7 51.2 16.7 95 95 A Y T < S- 0 0 40 -3,-0.8 -1,-0.3 1,-0.5 2,-0.3 0.293 126.7 -8.6-149.0 -3.6 6.0 48.4 14.8 96 96 A S < - 0 0 5 -3,-1.7 -1,-0.5 -4,-0.1 15,-0.1 -0.899 41.8-141.6 172.9 160.9 5.7 45.7 17.5 97 97 A E S S+ 0 0 115 13,-0.3 2,-1.7 -2,-0.3 -1,-0.1 0.699 88.1 81.2-105.9 -34.7 6.7 44.7 21.0 98 98 A K + 0 0 84 12,-0.4 12,-2.5 -5,-0.1 2,-0.4 -0.585 66.8 149.9 -76.5 87.6 7.1 41.0 20.2 99 99 A I E -C 109 0A 10 -2,-1.7 2,-0.5 10,-0.2 10,-0.2 -0.982 33.2-163.8-130.2 138.7 10.6 41.3 18.8 100 100 A E E -C 108 0A 0 8,-2.1 8,-2.0 -2,-0.4 2,-1.2 -0.977 9.9-153.8-121.7 116.4 13.5 38.8 18.7 101 101 A I E + 0 0 62 -2,-0.5 6,-0.2 6,-0.2 -2,-0.0 -0.704 17.0 177.0 -92.6 87.2 17.0 40.1 17.9 102 102 A A E - 0 0 29 -2,-1.2 2,-0.3 4,-0.1 -1,-0.2 0.788 62.6 -20.4 -59.6 -35.1 18.7 37.0 16.4 103 103 A S E > S-C 106 0A 38 3,-0.9 3,-1.0 0, 0.0 -1,-0.0 -0.912 88.5 -64.8-159.6-174.8 22.0 38.8 15.5 104 104 A I T 3 S+ 0 0 33 -2,-0.3 -2,-0.0 1,-0.3 3,-0.0 0.650 133.3 16.1 -59.0 -13.4 23.6 42.2 14.9 105 105 A D T 3 S+ 0 0 27 -98,-0.0 -97,-1.6 -16,-0.0 2,-0.3 0.124 107.4 84.0-151.8 29.7 21.4 42.5 11.8 106 106 A E E < +AC 7 103A 42 -3,-1.0 -3,-0.9 -99,-0.2 2,-0.3 -0.948 44.6 167.4-131.8 152.1 18.5 40.0 11.9 107 107 A A E -A 6 0A 0 -101,-0.9 -101,-3.0 -2,-0.3 2,-0.4 -0.912 23.0-150.5-167.6 139.2 15.2 40.4 13.6 108 108 A Y E -AC 5 100A 17 -8,-2.0 -8,-2.1 -2,-0.3 2,-0.4 -0.931 14.6-162.0-112.4 137.0 11.8 38.7 13.6 109 109 A L E -AC 4 99A 0 -105,-2.3 -105,-2.5 -2,-0.4 2,-0.8 -0.966 14.4-140.4-118.4 135.4 8.7 40.7 14.4 110 110 A D E +A 3 0A 22 -12,-2.5 -12,-0.4 -2,-0.4 -13,-0.3 -0.862 34.3 159.5 -94.5 112.8 5.5 39.1 15.5 111 111 A I + 0 0 0 -109,-1.9 4,-0.3 -2,-0.8 -108,-0.1 0.121 26.8 124.8-121.8 22.4 2.8 41.1 13.7 112 112 A S S S+ 0 0 38 -110,-0.4 3,-0.4 1,-0.2 -1,-0.1 0.820 81.6 47.1 -49.0 -33.3 -0.1 38.7 13.8 113 113 A D S S+ 0 0 86 1,-0.2 2,-1.3 -3,-0.2 -1,-0.2 0.995 103.8 51.2 -71.0 -78.9 -2.0 41.5 15.5 114 114 A K S S+ 0 0 83 -19,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.310 123.3 30.0 -48.9 12.0 -1.4 44.7 13.5 115 115 A V - 0 0 11 -2,-1.3 3,-0.1 -3,-0.4 6,-0.0 -0.684 55.0-166.6-148.1-159.7 -2.4 42.7 10.4 116 116 A R S S+ 0 0 209 1,-0.7 2,-0.3 -2,-0.2 -4,-0.1 0.254 75.5 22.7-177.3 -12.3 -4.7 39.8 9.5 117 117 A D S S- 0 0 61 -115,-0.0 -1,-0.7 1,-0.0 3,-0.2 -0.893 84.7 -99.0-153.2 177.9 -3.7 38.7 6.0 118 118 A Y S >> S+ 0 0 48 -2,-0.3 4,-3.2 1,-0.2 3,-1.4 0.795 111.3 67.3 -80.2 -27.2 -0.6 39.1 3.8 119 119 A R T 34 S+ 0 0 161 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.861 106.4 43.2 -60.2 -35.2 -1.7 42.0 1.7 120 120 A E T 34 S+ 0 0 78 2,-0.2 4,-0.5 -3,-0.2 -1,-0.3 0.409 114.3 53.2 -90.0 2.3 -1.5 44.2 4.8 121 121 A A T <> S+ 0 0 0 -3,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.814 102.1 53.6 -98.4 -47.0 1.8 42.5 5.7 122 122 A Y H X S+ 0 0 101 -4,-3.2 4,-0.9 1,-0.2 -2,-0.2 0.746 110.6 53.5 -57.7 -23.3 3.5 43.2 2.4 123 123 A N H > S+ 0 0 65 -4,-0.5 4,-2.1 -5,-0.3 -1,-0.2 0.862 106.1 47.3 -80.1 -40.9 2.5 46.8 3.1 124 124 A L H > S+ 0 0 12 -4,-0.5 4,-1.6 1,-0.2 -2,-0.2 0.752 107.9 60.5 -71.5 -21.7 4.0 46.9 6.6 125 125 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.877 109.5 40.0 -70.7 -37.9 7.1 45.4 4.9 126 126 A L H X S+ 0 0 66 -4,-0.9 4,-1.7 2,-0.2 5,-0.3 0.810 110.9 57.4 -80.1 -30.3 7.3 48.4 2.6 127 127 A E H X S+ 0 0 118 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.862 114.2 41.2 -66.6 -32.1 6.4 50.8 5.5 128 128 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.882 112.7 50.3 -83.1 -43.1 9.5 49.4 7.3 129 129 A K H X S+ 0 0 24 -4,-2.2 4,-2.9 1,-0.2 3,-0.5 0.997 117.1 42.0 -56.0 -63.9 11.9 49.1 4.5 130 130 A N H X S+ 0 0 98 -4,-1.7 4,-1.0 1,-0.3 -1,-0.2 0.802 112.2 54.8 -52.2 -36.3 11.3 52.8 3.5 131 131 A K H X S+ 0 0 69 -4,-1.0 4,-2.5 -5,-0.3 5,-0.3 0.939 113.4 41.6 -65.5 -43.7 11.2 53.9 7.1 132 132 A I H X>S+ 0 0 2 -4,-2.4 4,-2.2 -3,-0.5 6,-0.8 0.900 110.5 55.2 -69.6 -43.0 14.7 52.4 7.6 133 133 A L H <5S+ 0 0 78 -4,-2.9 -1,-0.2 4,-0.2 -2,-0.2 0.744 114.8 45.1 -61.4 -21.0 16.1 53.6 4.3 134 134 A E H <5S+ 0 0 135 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.946 116.3 36.6 -87.3 -60.3 15.0 57.0 5.5 135 135 A K H <5S+ 0 0 108 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.815 140.3 14.1 -66.2 -31.6 16.1 57.4 9.1 136 136 A E T <5S- 0 0 34 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.415 92.5-125.5-125.8 -0.1 19.3 55.5 8.6 137 137 A K < + 0 0 147 -5,-0.6 2,-0.4 1,-0.2 -4,-0.2 0.856 64.2 135.1 56.6 39.7 19.9 55.3 4.8 138 138 A I - 0 0 1 -6,-0.8 2,-0.3 -9,-0.2 -1,-0.2 -0.973 49.3-136.9-125.9 128.7 20.2 51.5 5.0 139 139 A T - 0 0 29 -2,-0.4 -130,-2.0 -130,-0.1 2,-0.3 -0.597 24.9-178.5 -82.8 139.2 18.6 48.9 2.7 140 140 A V E -B 8 0A 1 -2,-0.3 2,-0.5 -132,-0.2 -132,-0.2 -0.859 24.0-129.8-131.6 164.6 17.1 45.7 4.1 141 141 A T E -B 7 0A 0 -134,-1.8 -134,-2.3 -2,-0.3 2,-0.4 -0.976 22.9-154.4-117.7 131.1 15.4 42.6 2.8 142 142 A V E -Bd 6 163A 0 20,-2.4 22,-1.3 -2,-0.5 2,-0.4 -0.848 8.6-170.4-107.4 142.5 12.1 41.6 4.3 143 143 A G E -Bd 5 164A 0 -138,-2.2 -138,-3.3 -2,-0.4 2,-0.4 -0.993 4.1-169.4-130.6 138.0 10.7 38.1 4.4 144 144 A I E +Bd 4 165A 0 20,-2.2 22,-3.0 -2,-0.4 2,-0.2 -0.991 24.9 122.7-135.7 127.7 7.1 37.3 5.6 145 145 A S E -B 3 0A 0 -142,-1.8 -142,-3.3 -2,-0.4 22,-0.1 -0.836 68.0 -80.1-158.6-168.6 5.6 33.9 6.3 146 146 A K S S+ 0 0 42 20,-0.4 2,-0.3 21,-0.4 -142,-0.1 0.757 105.2 23.7 -83.3 -25.5 3.8 32.0 9.1 147 147 A N S > S- 0 0 2 -144,-0.1 4,-2.3 1,-0.1 3,-0.3 -0.903 85.5-102.5-134.1 166.0 6.8 31.0 11.3 148 148 A K H > S+ 0 0 13 87,-0.5 4,-2.5 -2,-0.3 5,-0.2 0.898 115.7 56.8 -55.0 -45.6 10.3 32.2 11.8 149 149 A V H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 115.4 36.7 -56.2 -43.9 12.0 29.6 9.7 150 150 A F H > S+ 0 0 1 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.783 110.3 60.7 -79.8 -26.9 9.9 30.4 6.6 151 151 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -146,-0.2 0.931 110.7 44.3 -61.9 -41.5 10.0 34.1 7.3 152 152 A K H X S+ 0 0 45 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.934 107.9 53.7 -69.4 -48.4 13.7 33.8 7.0 153 153 A I H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.882 104.6 60.7 -54.0 -36.7 13.8 31.6 3.9 154 154 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 3,-0.4 0.967 105.5 44.2 -52.7 -59.6 11.6 34.3 2.3 155 155 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.918 108.7 58.5 -52.7 -47.9 14.3 37.0 2.8 156 156 A D H < S+ 0 0 70 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.906 109.7 44.3 -50.0 -44.4 17.0 34.6 1.5 157 157 A M H < S+ 0 0 98 -4,-2.3 -1,-0.2 -3,-0.4 -2,-0.2 0.852 118.5 43.9 -69.9 -32.8 15.1 34.2 -1.7 158 158 A A H < S+ 0 0 21 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.517 90.9 154.3 -91.7 -9.1 14.4 38.0 -2.0 159 159 A K < + 0 0 79 -4,-1.9 2,-0.1 -3,-0.3 4,-0.1 -0.389 35.7 48.4 -76.0 154.7 17.8 39.5 -1.1 160 160 A P S S- 0 0 54 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.559 131.2 -23.7 -86.7 172.6 19.3 42.0 -1.6 161 161 A N S S+ 0 0 83 1,-0.1 2,-0.2 -2,-0.1 -20,-0.2 0.832 107.4 122.2 30.7 61.6 17.0 44.9 -0.9 162 162 A G - 0 0 13 -7,-0.1 -20,-2.4 2,-0.0 2,-0.3 -0.761 51.3-143.6-135.9-178.6 13.9 42.9 -1.6 163 163 A I E +d 142 0A 28 -2,-0.2 2,-0.3 -22,-0.2 -20,-0.2 -0.981 20.0 175.4-150.0 140.7 10.6 41.8 0.0 164 164 A K E -d 143 0A 51 -22,-1.3 -20,-2.2 -2,-0.3 2,-0.5 -0.995 19.8-149.4-153.7 144.3 8.8 38.5 -0.3 165 165 A V E -d 144 0A 29 -2,-0.3 2,-0.7 -22,-0.2 -20,-0.2 -0.954 3.4-167.3-117.4 126.8 5.8 36.7 1.0 166 166 A I + 0 0 0 -22,-3.0 -20,-0.4 -2,-0.5 -12,-0.1 -0.898 19.2 179.6-112.5 96.7 5.7 32.9 1.4 167 167 A D - 0 0 47 -2,-0.7 -21,-0.4 -22,-0.1 -1,-0.1 0.792 43.2 -90.1 -65.0-118.7 2.0 32.2 2.0 168 168 A D S > S+ 0 0 62 3,-0.1 4,-2.1 -23,-0.1 5,-0.2 0.530 116.1 67.2-132.2 -39.4 0.8 28.6 2.5 169 169 A E H > S+ 0 0 161 1,-0.2 4,-0.8 2,-0.2 -3,-0.0 0.920 114.6 35.5 -50.7 -44.7 -0.0 27.5 -1.0 170 170 A E H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.742 104.7 67.6 -84.1 -26.2 3.7 27.8 -1.7 171 171 A V H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.902 100.9 54.9 -59.3 -34.9 4.9 26.6 1.7 172 172 A K H < S+ 0 0 129 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.916 109.1 43.6 -61.7 -47.5 3.4 23.3 0.6 173 173 A R H >X S+ 0 0 115 -4,-0.8 4,-3.5 1,-0.2 3,-0.8 0.814 110.7 56.9 -70.4 -28.8 5.5 23.2 -2.6 174 174 A L H 3X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.3 28,-0.4 0.856 96.1 61.6 -69.6 -37.1 8.6 24.3 -0.7 175 175 A I H 3< S+ 0 0 15 -4,-1.8 28,-2.2 1,-0.2 -1,-0.3 0.611 122.1 27.0 -64.1 -8.5 8.4 21.4 1.8 176 176 A R H <4 S+ 0 0 150 -3,-0.8 -2,-0.3 -4,-0.2 -1,-0.2 0.650 128.6 39.7-121.9 -33.7 8.9 19.4 -1.4 177 177 A E H < S+ 0 0 113 -4,-3.5 -3,-0.2 -5,-0.1 2,-0.2 0.740 92.0 95.7 -92.2 -26.3 10.7 21.7 -3.8 178 178 A L S < S- 0 0 18 -4,-2.4 24,-0.5 -5,-0.2 2,-0.4 -0.434 78.2-118.9 -72.7 137.2 13.2 23.3 -1.4 179 179 A D B > -H 201 0C 75 -2,-0.2 3,-2.3 1,-0.1 22,-0.2 -0.605 19.2-132.1 -74.9 126.6 16.7 21.8 -1.1 180 180 A I G > S+ 0 0 3 20,-1.7 3,-1.5 -2,-0.4 -1,-0.1 0.798 103.3 64.7 -48.9 -33.5 17.2 20.7 2.5 181 181 A A G 3 S+ 0 0 40 1,-0.3 -1,-0.3 19,-0.3 5,-0.1 0.751 93.4 60.7 -65.5 -23.8 20.6 22.5 2.6 182 182 A D G < S+ 0 0 106 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.204 79.6 109.7 -90.5 17.6 18.9 25.9 2.2 183 183 A V S X S- 0 0 2 -3,-1.5 3,-2.8 3,-0.1 -33,-0.1 -0.828 82.3-106.1 -94.8 117.9 17.0 25.4 5.5 184 184 A P T 3 S+ 0 0 21 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.093 107.4 26.4 -42.0 132.1 18.2 27.7 8.3 185 185 A G T 3 S+ 0 0 51 1,-0.2 2,-0.9 -4,-0.1 5,-0.1 0.181 92.7 107.9 97.9 -20.9 20.1 25.6 10.8 186 186 A I < - 0 0 11 -3,-2.8 -1,-0.2 -6,-0.1 -3,-0.1 -0.843 52.7-174.7 -94.0 109.1 21.2 23.0 8.3 187 187 A G > - 0 0 40 -2,-0.9 4,-2.8 -3,-0.1 5,-0.2 -0.250 43.2 -85.3 -92.9-173.9 24.9 23.6 7.8 188 188 A N H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.916 127.8 48.7 -60.1 -43.4 27.2 21.9 5.4 189 189 A I H > S+ 0 0 121 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 114.9 43.2 -63.6 -45.3 28.0 19.1 7.8 190 190 A T H > S+ 0 0 24 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.882 110.0 58.1 -68.1 -36.9 24.3 18.4 8.5 191 191 A A H < S+ 0 0 15 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.885 109.6 45.0 -59.1 -38.7 23.5 18.8 4.8 192 192 A E H >X S+ 0 0 93 -4,-1.9 4,-1.3 1,-0.2 3,-1.2 0.857 106.6 56.4 -75.6 -37.0 25.9 16.0 4.0 193 193 A K H 3< S+ 0 0 84 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.784 104.6 58.0 -65.5 -22.0 24.7 13.7 6.8 194 194 A L T 3<>S+ 0 0 0 -4,-1.3 5,-3.3 1,-0.2 3,-0.5 0.644 96.7 59.2 -82.7 -15.0 21.3 14.0 5.2 195 195 A K T X45S+ 0 0 110 -3,-1.2 3,-1.9 -4,-0.3 -2,-0.2 0.914 98.8 58.3 -76.2 -43.2 22.5 12.7 1.8 196 196 A K T 3<5S+ 0 0 154 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.457 110.8 44.8 -64.8 1.0 23.6 9.4 3.3 197 197 A L T 3 5S- 0 0 18 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.374 118.1-108.8-122.7 -4.5 19.9 9.1 4.5 198 198 A G T < 5S+ 0 0 41 -3,-1.9 2,-0.8 1,-0.2 -3,-0.2 0.773 70.9 141.9 80.8 25.8 18.3 10.1 1.3 199 199 A I < + 0 0 0 -5,-3.3 -1,-0.2 1,-0.2 -2,-0.1 -0.858 0.8 140.9-103.1 100.7 17.1 13.4 2.6 200 200 A N S S+ 0 0 68 -2,-0.8 -20,-1.7 1,-0.1 2,-0.3 0.476 71.1 29.0-116.1 -6.6 17.3 16.0 -0.1 201 201 A K B S-H 179 0C 56 -22,-0.2 3,-0.3 -3,-0.2 4,-0.2 -0.902 88.4-105.1-143.4 166.1 14.1 17.9 0.6 202 202 A L S > S+ 0 0 1 -24,-0.5 3,-2.2 -28,-0.4 4,-0.3 0.918 115.4 61.7 -62.3 -44.2 12.1 18.4 3.8 203 203 A V G >> S+ 0 0 25 -28,-2.2 3,-2.1 1,-0.3 4,-0.7 0.840 88.5 69.9 -52.7 -37.6 9.4 16.0 2.8 204 204 A D G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.667 84.4 73.4 -57.7 -13.8 11.9 13.1 2.8 205 205 A T G X4 S+ 0 0 2 -3,-2.2 3,-0.7 -4,-0.2 -1,-0.3 0.780 90.8 54.8 -71.9 -26.1 12.1 13.3 6.6 206 206 A L T <4 S+ 0 0 89 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.829 99.8 62.8 -74.2 -30.3 8.7 11.8 6.9 207 207 A S T 3< S+ 0 0 90 -4,-0.7 2,-0.4 -3,-0.1 -1,-0.2 0.507 95.1 74.2 -72.0 -7.6 9.8 8.8 4.9 208 208 A I S < S- 0 0 34 -3,-0.7 2,-0.1 -4,-0.2 -10,-0.0 -0.884 90.0-107.6-113.8 142.0 12.4 7.8 7.5 209 209 A E >> - 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