==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 11-MAY-12 4F4X . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ACIDOCALDARIUS, SULFOLOBUS . AUTHOR J.D.PATA,R.C.WILSON . 342 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 73.7 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 . 61 17.8 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 . 19 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 1 0 1 2 2 1 1 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 0 3 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 68 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 158.6 2.0 -17.1 -10.5 2 2 A I - 0 0 9 2,-0.0 109,-2.4 143,-0.0 2,-0.5 -0.957 360.0-168.3-118.2 115.1 3.2 -14.6 -13.1 3 3 A V E -AB 110 146A 0 143,-2.9 143,-2.1 -2,-0.5 2,-0.5 -0.871 13.9-166.7-110.7 130.6 7.0 -14.2 -13.3 4 4 A I E -AB 109 145A 0 105,-2.6 105,-2.9 -2,-0.5 2,-0.4 -0.975 12.5-166.0-108.9 120.1 9.0 -11.6 -15.2 5 5 A F E -AB 108 144A 0 139,-3.3 139,-2.4 -2,-0.5 2,-0.4 -0.900 2.6-162.1-105.9 136.6 12.7 -12.4 -15.4 6 6 A V E +AB 107 143A 0 101,-2.8 101,-1.7 -2,-0.4 2,-0.4 -0.963 10.8 178.4-124.0 137.0 15.2 -9.8 -16.4 7 7 A D E -AB 106 142A 14 135,-2.5 135,-2.7 -2,-0.4 2,-0.2 -0.982 27.4-127.4-141.8 121.0 18.7 -10.3 -17.6 8 8 A F E > - B 0 141A 1 97,-2.1 3,-0.8 -2,-0.4 133,-0.3 -0.490 30.6-112.2 -76.3 134.2 21.0 -7.4 -18.7 9 9 A D T 3 S- 0 0 1 131,-2.1 5,-0.3 1,-0.2 131,-0.2 -0.396 83.7 -26.7 -70.6 137.5 22.6 -7.8 -22.2 10 10 A Y T >> S- 0 0 25 -2,-0.1 4,-2.6 3,-0.1 3,-0.5 0.785 87.8-165.5 29.6 53.2 26.4 -8.3 -22.3 11 11 A F H <> + 0 0 6 -3,-0.8 4,-2.4 1,-0.3 5,-0.3 0.740 68.8 38.8 -46.4 -63.2 26.4 -6.4 -19.0 12 12 A F H 3> S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.903 121.9 44.8 -60.0 -42.1 29.9 -5.3 -18.2 13 13 A A H <> S+ 0 0 0 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.869 110.7 55.3 -66.6 -37.2 30.7 -4.5 -21.9 14 14 A Q H X S+ 0 0 6 -4,-2.6 4,-1.6 -5,-0.3 -2,-0.2 0.891 107.6 48.1 -64.3 -41.7 27.4 -2.7 -22.2 15 15 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.909 109.0 53.3 -63.2 -45.2 28.1 -0.4 -19.3 16 16 A E H X S+ 0 0 3 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.896 108.6 51.8 -56.7 -35.6 31.5 0.3 -20.7 17 17 A E H < S+ 0 0 8 -4,-2.0 7,-0.3 2,-0.2 -2,-0.2 0.841 107.0 51.9 -68.1 -33.9 29.6 1.3 -23.9 18 18 A V H < S+ 0 0 46 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.915 114.3 43.2 -68.1 -39.3 27.3 3.6 -22.0 19 19 A L H < S+ 0 0 66 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.720 129.9 26.7 -76.4 -25.6 30.3 5.3 -20.5 20 20 A N >< - 0 0 47 -4,-1.7 3,-2.9 -5,-0.2 4,-0.3 -0.616 67.4-179.1-138.4 78.3 32.3 5.4 -23.8 21 21 A P G > S+ 0 0 86 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.698 76.3 74.6 -55.5 -22.9 29.8 5.4 -26.7 22 22 A Q G 3 S+ 0 0 125 1,-0.3 -5,-0.1 3,-0.0 -2,-0.0 0.726 90.0 60.5 -60.4 -22.0 32.6 5.4 -29.3 23 23 A Y G X S+ 0 0 55 -3,-2.9 3,-1.5 -7,-0.2 -1,-0.3 0.707 81.7 110.1 -75.7 -20.7 33.1 1.7 -28.3 24 24 A K T < S+ 0 0 129 -3,-1.4 -10,-0.0 -4,-0.3 -6,-0.0 -0.181 79.8 15.5 -60.1 145.6 29.5 0.8 -29.5 25 25 A G T 3 S+ 0 0 34 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.460 110.5 89.0 72.0 0.0 29.1 -1.3 -32.6 26 26 A K S < S- 0 0 137 -3,-1.5 24,-0.2 46,-0.0 23,-0.2 -0.914 95.4 -81.1-120.8 154.5 32.8 -2.4 -32.6 27 27 A P - 0 0 27 0, 0.0 45,-2.8 0, 0.0 2,-0.4 -0.297 52.6-179.4 -56.9 125.9 34.3 -5.5 -30.8 28 28 A L E -e 72 0B 0 43,-0.2 19,-2.3 -2,-0.1 2,-0.4 -0.997 9.3-166.8-132.1 130.7 34.8 -4.6 -27.2 29 29 A V E -eF 73 46B 0 43,-3.3 45,-2.5 -2,-0.4 2,-0.6 -0.976 12.6-147.0-121.5 127.6 36.3 -7.0 -24.6 30 30 A V E -eF 74 45B 0 15,-2.7 14,-3.4 -2,-0.4 15,-1.1 -0.817 26.4-162.5 -94.7 117.7 36.3 -6.5 -20.8 31 31 A C E -eF 75 43B 0 43,-3.3 45,-2.5 -2,-0.6 2,-0.8 -0.788 24.1-147.7-109.8 141.0 39.4 -7.9 -19.3 32 32 A V E - F 0 42B 63 10,-3.4 10,-1.7 -2,-0.3 2,-0.5 -0.905 25.4-156.6 -99.8 102.6 40.5 -9.0 -15.8 33 33 A Y E - F 0 41B 84 -2,-0.8 8,-0.3 8,-0.2 7,-0.1 -0.736 10.1-163.7 -86.9 128.0 44.2 -8.2 -15.7 34 34 A S - 0 0 38 6,-1.8 217,-0.3 -2,-0.5 -1,-0.1 0.714 31.1-129.0 -84.1 -24.5 46.1 -10.3 -13.1 35 35 A G S S+ 0 0 41 5,-0.7 6,-0.1 2,-0.3 -2,-0.1 0.265 78.4 111.9 97.0 -11.8 49.2 -8.1 -13.2 36 36 A R S S- 0 0 42 4,-0.1 2,-0.2 216,-0.1 5,-0.1 0.944 95.9 -6.2 -60.9 -48.1 51.8 -10.9 -13.7 37 37 A T S S- 0 0 78 3,-0.1 -2,-0.3 1,-0.0 -3,-0.0 -0.551 87.1 -93.0-124.3-162.2 52.5 -9.6 -17.2 38 38 A K S S+ 0 0 193 -2,-0.2 -2,-0.0 1,-0.1 -3,-0.0 0.786 123.5 28.4 -86.4 -26.4 50.9 -6.9 -19.3 39 39 A T S S+ 0 0 50 -6,-0.1 23,-0.4 -5,-0.0 2,-0.2 0.443 88.2 121.5-111.7 -2.9 48.5 -9.2 -21.1 40 40 A S + 0 0 18 21,-0.1 -6,-1.8 20,-0.1 -5,-0.7 -0.449 48.5 70.5 -67.1 127.2 48.0 -11.9 -18.5 41 41 A G E -F 33 0B 25 -8,-0.3 20,-1.8 -2,-0.2 21,-0.3 -0.972 70.0 -84.9 163.0-163.0 44.4 -12.3 -17.4 42 42 A A E -FG 32 60B 36 -10,-1.7 -10,-3.4 -2,-0.3 2,-0.5 -0.918 34.1-102.7-134.6 161.3 41.0 -13.5 -18.5 43 43 A V E -F 31 0B 4 16,-2.6 15,-3.1 -2,-0.3 -12,-0.2 -0.701 23.0-173.1 -85.4 124.1 37.9 -12.2 -20.4 44 44 A A E - 0 0 32 -14,-3.4 2,-0.3 -2,-0.5 -1,-0.2 0.868 69.8 -33.0 -82.1 -43.3 35.0 -11.1 -18.1 45 45 A T E -F 30 0B 18 -15,-1.1 -15,-2.7 11,-0.1 -1,-0.4 -0.974 53.7-145.9-167.4 165.5 32.7 -10.5 -21.0 46 46 A A E -F 29 0B 1 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.995 26.1-112.3-137.7 144.2 32.6 -9.4 -24.6 47 47 A N >> - 0 0 0 -19,-2.3 4,-1.7 -2,-0.4 3,-0.7 -0.250 43.5 -97.8 -67.0 166.7 30.0 -7.5 -26.6 48 48 A Y H 3> S+ 0 0 58 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.819 122.1 60.0 -61.4 -32.8 28.2 -9.4 -29.4 49 49 A E H 3> S+ 0 0 65 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.894 109.2 43.6 -59.5 -39.3 30.5 -8.0 -32.1 50 50 A A H <4>S+ 0 0 0 -3,-0.7 5,-2.0 -22,-0.2 3,-0.2 0.804 108.1 58.7 -77.8 -27.8 33.5 -9.5 -30.4 51 51 A R H ><5S+ 0 0 95 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.846 96.9 62.0 -68.1 -32.4 31.6 -12.8 -29.7 52 52 A K H 3<5S+ 0 0 184 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.872 101.4 53.6 -60.3 -33.0 31.2 -13.1 -33.5 53 53 A L T 3<5S- 0 0 82 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.458 130.4 -96.5 -77.5 -2.3 35.0 -13.2 -33.7 54 54 A G T < 5S+ 0 0 33 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.516 70.9 152.5 101.6 5.0 35.0 -16.1 -31.2 55 55 A V < - 0 0 2 -5,-2.0 2,-0.4 -8,-0.1 -1,-0.3 -0.553 21.7-174.0 -75.2 126.7 35.7 -14.1 -28.0 56 56 A K > - 0 0 143 -2,-0.4 3,-1.5 -11,-0.1 -13,-0.3 -0.931 30.4-104.1-124.0 146.1 34.3 -15.9 -25.0 57 57 A A T 3 S+ 0 0 69 -2,-0.4 -13,-0.2 1,-0.2 -12,-0.1 -0.421 109.0 28.5 -58.8 133.8 34.0 -15.2 -21.2 58 58 A G T 3 S+ 0 0 59 -15,-3.1 -1,-0.2 1,-0.4 -14,-0.1 0.016 91.2 128.4 101.4 -24.2 36.6 -17.1 -19.2 59 59 A M < - 0 0 17 -3,-1.5 -16,-2.6 -17,-0.1 -1,-0.4 -0.318 69.4 -99.0 -71.1 145.2 39.1 -17.1 -22.1 60 60 A P B > -G 42 0B 54 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.388 26.9-129.6 -57.7 136.2 42.7 -16.0 -21.6 61 61 A I H > S+ 0 0 0 -20,-1.8 4,-2.7 1,-0.2 5,-0.2 0.899 109.1 56.8 -58.2 -42.0 43.2 -12.4 -22.8 62 62 A I H 4 S+ 0 0 92 -23,-0.4 4,-0.5 -21,-0.3 -1,-0.2 0.863 108.5 47.6 -57.7 -36.2 46.3 -13.5 -24.9 63 63 A K H > S+ 0 0 101 -3,-0.5 4,-1.3 2,-0.2 3,-0.3 0.850 110.8 50.5 -73.6 -36.9 44.0 -16.0 -26.7 64 64 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.890 106.2 56.0 -64.4 -40.2 41.3 -13.4 -27.3 65 65 A M H < S+ 0 0 52 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.690 102.9 58.2 -68.8 -17.6 43.9 -11.1 -28.7 66 66 A Q H 4 S+ 0 0 149 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.910 115.3 31.4 -77.6 -40.6 44.9 -13.8 -31.2 67 67 A I H < S+ 0 0 81 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.1 0.626 136.4 26.1 -93.1 -16.6 41.5 -14.2 -32.8 68 68 A A >< + 0 0 1 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.2 -0.362 66.9 156.8-141.1 63.5 40.3 -10.6 -32.4 69 69 A P T 3 S+ 0 0 97 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.594 74.9 55.0 -67.3 -12.7 43.5 -8.4 -32.3 70 70 A S T 3 S+ 0 0 102 -3,-0.1 -5,-0.1 2,-0.1 2,-0.0 0.339 82.7 112.5-102.4 4.4 41.6 -5.3 -33.4 71 71 A A S < S- 0 0 8 -3,-1.8 2,-0.6 -7,-0.1 -43,-0.2 -0.368 78.3-107.9 -65.8 151.8 39.0 -5.5 -30.6 72 72 A I E -e 28 0B 66 -45,-2.8 -43,-3.3 -49,-0.1 2,-0.5 -0.791 34.4-158.4 -81.0 124.9 39.1 -2.8 -27.9 73 73 A Y E +e 29 0B 37 -2,-0.6 -43,-0.2 -45,-0.2 -45,-0.0 -0.922 16.7 172.9-106.7 123.3 40.4 -4.3 -24.7 74 74 A V E -e 30 0B 12 -45,-2.5 -43,-3.3 -2,-0.5 2,-0.1 -0.968 32.6-104.3-132.0 150.0 39.6 -2.5 -21.5 75 75 A P E -e 31 0B 74 0, 0.0 -43,-0.2 0, 0.0 2,-0.1 -0.401 40.8-102.4 -73.1 146.8 40.0 -3.3 -17.8 76 76 A M - 0 0 60 -45,-2.5 2,-0.2 -2,-0.1 -43,-0.1 -0.447 30.2-170.6 -64.7 136.2 37.1 -4.5 -15.6 77 77 A R >> + 0 0 96 -2,-0.1 4,-1.3 1,-0.1 3,-1.1 -0.630 10.5 175.0-127.0 67.8 35.7 -1.7 -13.4 78 78 A K H 3> + 0 0 96 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.801 68.9 63.4 -53.0 -37.4 33.4 -3.8 -11.2 79 79 A P H 3> S+ 0 0 96 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.909 103.2 49.3 -57.6 -38.8 32.3 -1.0 -8.8 80 80 A I H <> S+ 0 0 50 -3,-1.1 4,-2.6 2,-0.2 5,-0.2 0.930 110.5 50.5 -63.7 -41.8 30.7 1.0 -11.7 81 81 A Y H X S+ 0 0 0 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.901 109.0 51.4 -63.6 -39.7 28.8 -2.1 -12.9 82 82 A E H X S+ 0 0 92 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.914 109.0 52.0 -61.6 -38.4 27.6 -2.7 -9.3 83 83 A A H X S+ 0 0 37 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.942 110.8 46.1 -65.1 -46.7 26.4 0.8 -9.2 84 84 A F H X S+ 0 0 9 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.940 113.2 50.8 -56.9 -47.2 24.4 0.5 -12.5 85 85 A S H X S+ 0 0 4 -4,-2.7 4,-3.5 1,-0.2 5,-0.3 0.951 108.4 51.0 -57.3 -52.8 23.0 -2.8 -11.3 86 86 A N H X S+ 0 0 96 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.907 111.0 48.4 -50.3 -49.2 21.8 -1.3 -8.0 87 87 A R H X S+ 0 0 105 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.917 113.7 47.6 -59.8 -42.8 20.1 1.5 -9.7 88 88 A I H >X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 3,-0.5 0.955 108.9 51.8 -65.9 -48.2 18.4 -0.9 -12.1 89 89 A M H 3X S+ 0 0 13 -4,-3.5 4,-2.3 1,-0.3 -1,-0.2 0.877 108.0 55.1 -55.2 -37.3 17.3 -3.3 -9.3 90 90 A N H 3X S+ 0 0 114 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.3 0.858 106.7 49.9 -62.6 -36.2 15.8 -0.3 -7.6 91 91 A L H << S+ 0 0 27 -4,-1.5 3,-0.4 -3,-0.5 -2,-0.2 0.920 112.6 46.7 -65.6 -44.0 13.8 0.5 -10.8 92 92 A L H >< S+ 0 0 1 -4,-2.2 3,-2.7 1,-0.2 -2,-0.2 0.892 101.1 67.2 -64.4 -42.0 12.5 -3.1 -11.0 93 93 A N H >< S+ 0 0 85 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.849 95.7 54.2 -50.7 -41.5 11.5 -3.2 -7.4 94 94 A K T 3< S+ 0 0 118 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.446 104.3 57.3 -78.1 3.6 8.8 -0.7 -7.7 95 95 A H T < S+ 0 0 15 -3,-2.7 2,-0.3 -4,-0.1 -1,-0.3 0.204 103.0 67.5-108.7 12.8 7.2 -2.8 -10.5 96 96 A A < - 0 0 15 -3,-1.5 15,-0.2 1,-0.2 3,-0.2 -0.971 63.5-145.9-142.1 149.2 6.8 -5.9 -8.4 97 97 A D S S+ 0 0 60 13,-2.0 2,-0.3 -2,-0.3 14,-0.2 0.941 101.3 4.6 -68.0 -50.8 5.0 -7.5 -5.5 98 98 A K E S-C 110 0A 98 12,-1.2 12,-2.8 -3,-0.1 2,-0.4 -0.990 71.8-161.0-134.9 144.5 8.2 -9.4 -4.7 99 99 A I E -C 109 0A 25 -2,-0.3 2,-0.6 10,-0.2 10,-0.2 -0.984 6.8-161.6-128.6 138.1 11.6 -9.3 -6.2 100 100 A E E -C 108 0A 8 8,-3.1 8,-2.4 -2,-0.4 2,-1.0 -0.943 11.1-154.1-116.0 106.6 14.5 -11.8 -6.2 101 101 A V E -C 107 0A 68 -2,-0.6 140,-0.3 6,-0.2 6,-0.3 -0.701 14.8-177.9 -78.7 103.7 17.8 -10.2 -7.1 102 102 A A E - 0 0 16 4,-1.4 2,-0.3 -2,-1.0 5,-0.2 0.791 59.0 -33.3 -79.6 -26.9 19.7 -13.3 -8.4 103 103 A S E > S-C 106 0A 52 3,-1.6 3,-0.6 -3,-0.1 -1,-0.2 -0.944 77.6 -70.9-173.3-177.7 23.0 -11.6 -9.2 104 104 A I T 3 S+ 0 0 45 -2,-0.3 -15,-0.1 1,-0.2 3,-0.1 0.718 132.2 40.7 -61.8 -17.6 24.5 -8.3 -10.4 105 105 A D T 3 S+ 0 0 33 1,-0.1 -97,-2.1 -98,-0.0 2,-0.3 0.570 114.8 34.2-111.9 -15.0 23.0 -9.1 -13.8 106 106 A E E < +AC 7 103A 27 -3,-0.6 -3,-1.6 -99,-0.2 -4,-1.4 -0.987 47.2 179.9-154.3 156.2 19.6 -10.6 -13.2 107 107 A A E -AC 6 101A 0 -101,-1.7 -101,-2.8 -2,-0.3 2,-0.4 -0.985 20.2-136.2-153.0 153.2 16.4 -10.7 -11.2 108 108 A Y E -AC 5 100A 10 -8,-2.4 -8,-3.1 -2,-0.3 2,-0.5 -0.960 19.2-162.1-112.4 134.8 13.0 -12.3 -10.9 109 109 A L E -AC 4 99A 0 -105,-2.9 -105,-2.6 -2,-0.4 2,-0.7 -0.975 11.6-148.8-117.6 126.6 9.9 -10.3 -10.3 110 110 A D E +AC 3 98A 13 -12,-2.8 -13,-2.0 -2,-0.5 -12,-1.2 -0.862 27.6 163.6 -87.4 116.0 6.6 -11.8 -9.0 111 111 A V > + 0 0 0 -109,-2.4 4,-1.7 -2,-0.7 6,-0.2 0.144 31.5 120.0-119.6 17.8 4.0 -9.5 -10.6 112 112 A T T 4>S+ 0 0 33 -110,-0.4 5,-2.6 1,-0.2 3,-0.5 0.922 83.4 32.8 -51.8 -60.0 1.0 -11.8 -10.1 113 113 A N T >45S+ 0 0 130 1,-0.2 3,-2.5 3,-0.2 -1,-0.2 0.925 111.6 66.1 -61.2 -45.3 -1.1 -9.5 -7.9 114 114 A K T 345S+ 0 0 100 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.765 111.2 33.3 -52.6 -33.8 0.2 -6.4 -9.7 115 115 A V T ><5S- 0 0 14 -4,-1.7 3,-1.7 -3,-0.5 -1,-0.3 0.167 113.8-112.5-109.5 17.1 -1.5 -7.3 -13.0 116 116 A E T < 5 - 0 0 184 -3,-2.5 -3,-0.2 1,-0.3 -2,-0.1 0.857 67.5 -63.6 55.8 42.6 -4.5 -9.0 -11.4 117 117 A G T 3 - 0 0 69 -3,-1.7 3,-1.1 -6,-0.2 4,-0.7 -0.663 40.5-161.6 -81.5 105.5 -4.0 -11.3 -16.2 119 119 A F H >> S+ 0 0 19 -2,-1.0 4,-1.3 1,-0.3 3,-0.6 0.813 86.0 55.4 -56.4 -37.1 -1.0 -12.8 -18.0 120 120 A E H 3> S+ 0 0 92 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.749 103.2 54.2 -74.3 -24.7 -1.2 -10.5 -21.0 121 121 A N H <> S+ 0 0 85 -3,-1.1 4,-1.6 -6,-0.2 -1,-0.3 0.619 102.8 61.5 -79.3 -14.1 -1.0 -7.4 -18.8 122 122 A G H S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 6,-0.9 0.921 114.6 48.3 -58.0 -42.7 15.5 0.7 -18.0 134 134 A L H X5S+ 0 0 80 -4,-2.2 4,-1.0 4,-0.2 -2,-0.2 0.890 114.5 44.1 -64.7 -42.3 16.5 1.8 -21.6 135 135 A E H <5S+ 0 0 114 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.911 122.1 37.2 -70.8 -39.7 15.3 5.4 -21.1 136 136 A K H <5S+ 0 0 121 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.776 135.7 14.5 -86.6 -31.9 16.8 5.8 -17.6 137 137 A E H <5S- 0 0 32 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.496 89.4-124.6-122.7 -7.8 20.1 3.9 -17.8 138 138 A K << + 0 0 125 -4,-1.0 2,-0.5 -5,-0.6 -4,-0.2 0.845 66.5 136.8 61.8 34.4 20.6 3.4 -21.6 139 139 A I - 0 0 0 -6,-0.9 2,-0.4 -9,-0.1 -1,-0.3 -0.947 47.0-145.8-113.2 130.9 20.9 -0.4 -20.9 140 140 A T - 0 0 27 -2,-0.5 -131,-2.1 -131,-0.2 2,-0.3 -0.779 22.2-178.6 -93.4 140.8 19.2 -3.0 -23.0 141 141 A V E -B 8 0A 2 -2,-0.4 2,-0.4 -133,-0.3 -133,-0.2 -0.847 24.2-128.4-129.7 164.8 17.9 -6.1 -21.2 142 142 A T E -B 7 0A 0 -135,-2.7 -135,-2.5 -2,-0.3 2,-0.3 -0.965 26.4-159.9-115.6 137.7 16.2 -9.3 -22.3 143 143 A V E -Bd 6 164A 0 20,-2.2 22,-2.7 -2,-0.4 2,-0.4 -0.863 9.8-163.2-120.4 147.3 13.1 -10.3 -20.5 144 144 A G E -Bd 5 165A 0 -139,-2.4 -139,-3.3 -2,-0.3 2,-0.4 -0.999 4.8-164.8-127.1 134.6 11.2 -13.6 -20.0 145 145 A V E +Bd 4 166A 0 20,-2.2 22,-1.8 -2,-0.4 -141,-0.2 -0.983 28.3 133.3-119.4 130.1 7.6 -13.9 -18.9 146 146 A A E -B 3 0A 0 -143,-2.1 -143,-2.9 -2,-0.4 22,-0.1 -0.950 66.4 -94.9-161.4 171.0 6.3 -17.3 -17.7 147 147 A P S S+ 0 0 24 0, 0.0 2,-0.3 0, 0.0 -143,-0.1 0.560 105.6 27.3 -78.9 -5.3 4.3 -19.0 -15.0 148 148 A N S > S- 0 0 5 -145,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.986 82.7-106.7-148.7 163.9 7.5 -19.9 -13.1 149 149 A K H > S+ 0 0 18 87,-0.5 4,-2.1 -2,-0.3 5,-0.2 0.875 112.8 50.2 -50.6 -49.5 11.1 -18.9 -12.5 150 150 A I H > S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 113.8 42.9 -65.6 -43.4 12.8 -21.6 -14.6 151 151 A L H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.883 110.8 57.4 -69.6 -36.1 10.7 -21.1 -17.7 152 152 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.912 111.9 42.3 -57.4 -43.1 11.0 -17.4 -17.4 153 153 A K H X S+ 0 0 33 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.898 112.9 51.5 -71.7 -43.1 14.8 -17.8 -17.5 154 154 A I H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.958 112.1 45.1 -61.0 -51.0 14.9 -20.4 -20.3 155 155 A I H X S+ 0 0 20 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.836 111.5 54.8 -64.6 -32.1 12.7 -18.3 -22.7 156 156 A A H >< S+ 0 0 0 -4,-1.2 3,-1.4 -5,-0.3 4,-0.4 0.968 107.3 49.3 -61.2 -51.1 14.7 -15.2 -21.8 157 157 A D H >< S+ 0 0 75 -4,-2.6 3,-0.7 1,-0.3 -2,-0.2 0.816 109.6 52.4 -59.3 -30.7 18.0 -17.0 -22.8 158 158 A K H 3< S+ 0 0 115 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.703 107.7 53.9 -75.3 -18.7 16.4 -18.1 -26.1 159 159 A S T << S+ 0 0 32 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.349 88.4 170.5-101.3 4.0 15.4 -14.5 -26.8 160 160 A K < + 0 0 57 -3,-0.7 2,-0.1 -4,-0.4 4,-0.0 -0.371 40.5 37.8 -71.2 145.9 18.8 -12.9 -26.5 161 161 A P S S- 0 0 65 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.624 131.8 -19.3 -98.6 172.8 19.8 -10.2 -27.1 162 162 A N S S+ 0 0 91 1,-0.2 -20,-0.2 -2,-0.1 -2,-0.1 0.805 100.8 152.7 50.8 35.3 17.3 -7.3 -26.4 163 163 A G - 0 0 10 -7,-0.1 -20,-2.2 -23,-0.1 2,-0.3 -0.377 47.3-154.5 -95.9 167.0 14.6 -9.9 -26.4 164 164 A L E -d 143 0A 40 -22,-0.2 2,-0.3 -3,-0.1 -20,-0.2 -0.784 22.8-172.1-137.6 97.1 11.1 -10.4 -24.8 165 165 A G E -d 144 0A 5 -22,-2.7 -20,-2.2 -2,-0.3 2,-0.3 -0.651 1.2-166.5 -94.5 145.8 10.3 -14.1 -24.6 166 166 A V E +d 145 0A 34 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.982 18.2 178.0-135.5 141.7 6.9 -15.4 -23.5 167 167 A I - 0 0 1 -22,-1.8 5,-0.1 -2,-0.3 -16,-0.0 -0.872 20.7-155.5-141.1 106.7 5.4 -18.7 -22.4 168 168 A R >> - 0 0 91 -2,-0.3 3,-1.8 -22,-0.1 4,-0.9 -0.417 32.1-105.6 -82.3 158.5 1.7 -18.6 -21.5 169 169 A P H >> S+ 0 0 79 0, 0.0 3,-0.5 0, 0.0 4,-0.5 0.827 120.9 58.0 -51.3 -34.2 0.1 -21.2 -19.2 170 170 A T H 34 S+ 0 0 123 1,-0.2 4,-0.4 2,-0.1 3,-0.1 0.755 109.1 43.6 -68.1 -26.3 -1.5 -22.8 -22.2 171 171 A E H <> S+ 0 0 66 -3,-1.8 4,-3.3 1,-0.1 -1,-0.2 0.509 87.0 91.2-101.1 -6.4 1.9 -23.5 -23.8 172 172 A V H 4 S+ 0 0 107 -4,-0.4 3,-2.5 1,-0.2 4,-0.5 0.986 111.8 51.5 -52.9 -60.9 3.9 -28.2 -25.0 175 175 A F H >X S+ 0 0 33 -4,-3.3 3,-1.2 1,-0.3 4,-0.8 0.823 104.8 56.1 -47.6 -42.3 7.1 -26.3 -24.2 176 176 A L H 3< S+ 0 0 5 -4,-2.7 28,-0.4 1,-0.2 -1,-0.3 0.724 100.4 62.0 -64.3 -19.5 8.3 -28.9 -21.7 177 177 A N T << S+ 0 0 78 -3,-2.5 -1,-0.2 -4,-0.8 -2,-0.2 0.551 109.7 35.2 -88.2 -9.0 8.0 -31.6 -24.4 178 178 A E T <4 S+ 0 0 86 -3,-1.2 -1,-0.2 -4,-0.5 2,-0.2 0.386 85.5 125.3-119.0 -3.0 10.6 -30.3 -26.8 179 179 A L < - 0 0 5 -4,-0.8 24,-2.8 1,-0.1 25,-0.3 -0.403 56.8-135.2 -63.1 126.1 13.0 -28.8 -24.2 180 180 A D B > -H 202 0C 48 22,-0.2 3,-1.8 -2,-0.2 22,-0.3 -0.622 14.0-123.8 -81.1 142.5 16.5 -30.2 -24.7 181 181 A I G > S+ 0 0 3 20,-2.4 3,-1.8 -2,-0.3 6,-0.2 0.869 109.5 58.6 -51.2 -42.5 18.4 -31.3 -21.6 182 182 A D G 3 S+ 0 0 99 19,-0.3 -1,-0.3 1,-0.3 10,-0.1 0.582 97.9 62.5 -71.6 -7.7 21.3 -29.0 -22.2 183 183 A E G < S+ 0 0 73 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.399 78.9 103.1 -92.4 -1.2 19.0 -26.0 -22.2 184 184 A I S X S- 0 0 3 -3,-1.8 3,-1.7 -4,-0.2 42,-0.0 -0.746 79.0-117.3 -88.8 123.8 18.0 -26.6 -18.5 185 185 A P T 3 S+ 0 0 30 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.332 99.0 28.9 -57.3 135.7 19.6 -24.2 -16.0 186 186 A G T 3 S+ 0 0 62 1,-0.2 2,-0.8 -2,-0.0 36,-0.0 0.017 92.2 106.0 101.1 -25.3 21.8 -26.0 -13.5 187 187 A I < - 0 0 13 -3,-1.7 -1,-0.2 -6,-0.2 -3,-0.1 -0.795 61.1-152.2 -92.7 110.4 22.7 -28.9 -15.9 188 188 A G > - 0 0 42 -2,-0.8 4,-2.4 -3,-0.1 5,-0.2 -0.208 28.9 -98.1 -78.9 171.3 26.3 -28.5 -17.0 189 189 A S H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.863 119.7 53.3 -57.9 -39.6 27.8 -29.7 -20.3 190 190 A V H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 3,-0.2 0.962 112.2 41.3 -62.1 -53.7 29.3 -32.8 -18.7 191 191 A L H > S+ 0 0 20 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.899 111.1 57.5 -63.0 -41.6 26.1 -34.1 -17.1 192 192 A A H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.874 108.7 47.5 -56.1 -39.0 24.1 -33.2 -20.2 193 193 A R H X S+ 0 0 141 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.917 109.6 51.3 -69.2 -44.2 26.5 -35.4 -22.2 194 194 A R H X S+ 0 0 106 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.907 113.2 46.3 -60.5 -39.1 26.3 -38.3 -19.8 195 195 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 3,-0.8 0.916 110.9 52.5 -67.3 -41.0 22.5 -38.0 -20.0 196 196 A N H ><5S+ 0 0 79 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.888 104.4 56.3 -61.0 -38.3 22.7 -37.8 -23.8 197 197 A E H 3<5S+ 0 0 148 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.742 105.6 52.5 -63.3 -25.0 24.8 -41.0 -23.9 198 198 A L T <<5S- 0 0 79 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.274 127.4 -97.9 -96.8 6.7 22.0 -42.8 -22.0 199 199 A G T < 5S+ 0 0 50 -3,-1.7 2,-0.9 1,-0.2 3,-0.2 0.633 84.2 130.1 89.7 14.3 19.4 -41.7 -24.6 200 200 A I < + 0 0 6 -5,-2.5 -1,-0.2 1,-0.2 -2,-0.2 -0.834 12.5 138.0-106.0 96.1 18.1 -38.8 -22.6 201 201 A Q + 0 0 109 -2,-0.9 -20,-2.4 1,-0.1 -19,-0.3 0.721 62.0 48.6-110.3 -33.4 18.1 -35.8 -25.0 202 202 A K B > S-H 180 0C 59 -22,-0.3 3,-1.2 -3,-0.2 -22,-0.2 -0.788 82.8-120.1-106.8 154.5 14.8 -34.2 -24.2 203 203 A L G > S+ 0 0 0 -24,-2.8 3,-2.5 -2,-0.3 4,-0.4 0.898 114.0 61.9 -54.7 -43.5 13.4 -33.3 -20.7 204 204 A R G > S+ 0 0 130 -28,-0.4 3,-1.0 -25,-0.3 4,-0.3 0.750 89.3 70.4 -58.7 -23.3 10.4 -35.5 -21.4 205 205 A D G X S+ 0 0 25 -3,-1.2 3,-0.6 1,-0.2 4,-0.4 0.641 83.6 72.0 -69.9 -12.7 12.9 -38.5 -21.6 206 206 A I G X S+ 0 0 3 -3,-2.5 3,-1.2 -4,-0.2 -1,-0.2 0.873 88.2 62.5 -66.1 -35.9 13.4 -38.1 -17.8 207 207 A L G < S+ 0 0 87 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.681 101.9 49.6 -67.4 -18.5 9.9 -39.5 -17.2 208 208 A S G < S+ 0 0 108 -3,-0.6 2,-0.4 -4,-0.3 -1,-0.2 0.488 91.1 89.9-102.4 -3.3 10.8 -42.9 -18.8 209 209 A K S < S- 0 0 70 -3,-1.2 2,-0.1 -4,-0.4 5,-0.1 -0.776 90.9 -99.1 -94.7 138.6 14.0 -43.7 -17.0 210 210 A N >> - 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