==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JAN-07 2JEG . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR R.L.EOFF,K.C.ANGEL,I.D.KOSEKOV,M.EGLI,F.P.GUENGERICH . 342 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17898.0 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 . 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 . 37 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 33.6 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 2 1 1 2 0 0 0 1 0 0 1 1 1 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 0 A H 0 0 126 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.3 -2.5 31.5 12.8 2 1 A M - 0 0 38 145,-0.2 2,-0.5 112,-0.0 109,-0.0 -0.417 360.0-151.2 -76.7 144.5 0.7 33.5 13.5 3 2 A I - 0 0 17 -2,-0.1 109,-1.9 113,-0.1 2,-0.4 -0.964 14.5-168.4-118.7 115.8 2.1 36.0 11.0 4 3 A V E -AB 111 146A 0 142,-2.8 142,-1.8 -2,-0.5 2,-0.5 -0.887 8.6-165.1-111.3 135.7 5.9 36.6 11.2 5 4 A L E -AB 110 145A 0 105,-2.3 105,-2.3 -2,-0.4 2,-0.4 -0.973 10.2-162.9-118.3 122.6 7.9 39.3 9.5 6 5 A F E -AB 109 144A 0 138,-4.1 138,-2.8 -2,-0.5 2,-0.5 -0.890 2.5-162.8-110.6 132.9 11.6 38.9 9.2 7 6 A V E +AB 108 143A 0 101,-2.8 101,-1.8 -2,-0.4 2,-0.4 -0.953 9.2 177.4-116.6 132.1 14.1 41.7 8.5 8 7 A D E -AB 107 142A 14 134,-2.0 134,-2.3 -2,-0.5 2,-0.3 -0.982 28.7-127.8-133.5 119.3 17.7 41.1 7.4 9 8 A F E > - B 0 141A 0 97,-2.6 3,-1.1 -2,-0.4 132,-0.2 -0.493 31.8-109.8 -70.5 128.4 19.9 44.1 6.6 10 9 A D T 3 S- 0 0 0 130,-1.5 5,-0.2 -2,-0.3 130,-0.1 -0.334 83.0 -29.9 -63.8 132.7 21.6 43.9 3.1 11 10 A Y T 3> S- 0 0 27 3,-0.1 4,-2.6 1,-0.1 3,-0.5 0.777 87.6-170.4 24.5 48.9 25.4 43.3 3.0 12 11 A F H <> + 0 0 7 -3,-1.1 4,-2.7 1,-0.2 5,-0.2 0.705 66.4 44.6 -33.3 -65.3 25.3 45.1 6.4 13 12 A Y H > S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.938 120.3 42.2 -54.2 -49.2 28.9 45.8 7.4 14 13 A A H > S+ 0 0 0 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.876 113.3 53.4 -67.0 -36.6 29.9 46.9 3.9 15 14 A Q H X S+ 0 0 3 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.890 105.8 53.3 -67.2 -35.8 26.7 48.9 3.5 16 15 A V H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.896 106.7 53.3 -63.9 -37.7 27.3 50.7 6.8 17 16 A E H X S+ 0 0 10 -4,-1.7 4,-0.5 -5,-0.2 -1,-0.2 0.848 109.1 49.0 -65.4 -31.7 30.7 51.6 5.4 18 17 A E H >< S+ 0 0 3 -4,-1.5 3,-1.0 2,-0.2 6,-0.2 0.920 107.9 53.2 -72.3 -43.3 29.0 53.1 2.3 19 18 A V H 3< S+ 0 0 48 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.891 112.0 46.2 -58.3 -38.4 26.5 55.1 4.5 20 19 A L H 3< S+ 0 0 88 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.584 129.9 23.5 -80.7 -10.5 29.5 56.6 6.3 21 20 A N S X< S- 0 0 75 -3,-1.0 3,-2.5 -4,-0.5 -1,-0.3 -0.496 72.6-175.6-155.8 74.9 31.4 57.3 3.1 22 21 A P G > S+ 0 0 86 0, 0.0 3,-1.6 0, 0.0 -3,-0.1 0.630 74.7 76.2 -45.9 -28.6 28.8 57.5 0.2 23 22 A S G 3 S+ 0 0 76 1,-0.3 4,-0.1 3,-0.1 -5,-0.1 0.789 83.9 69.9 -60.2 -25.6 31.4 57.9 -2.5 24 23 A L G X S+ 0 0 10 -3,-2.5 3,-2.2 -6,-0.2 -1,-0.3 0.733 71.4 112.7 -63.8 -26.5 32.0 54.2 -2.1 25 24 A K T < S+ 0 0 116 -3,-1.6 -10,-0.0 1,-0.3 0, 0.0 -0.118 79.9 22.1 -48.2 143.6 28.6 53.3 -3.6 26 25 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.112 105.3 99.3 84.5 -26.3 29.0 51.5 -6.9 27 26 A K S < S- 0 0 106 -3,-2.2 2,-0.4 -4,-0.1 -1,-0.3 -0.640 87.3 -99.8 -92.4 152.7 32.6 50.4 -6.1 28 27 A P - 0 0 35 0, 0.0 45,-2.9 0, 0.0 2,-0.5 -0.591 43.4-166.2 -73.4 126.7 33.4 46.9 -4.8 29 28 A V E -e 73 0B 0 -2,-0.4 19,-2.1 43,-0.2 2,-0.5 -0.972 9.4-173.2-122.4 125.5 33.8 47.1 -1.0 30 29 A V E -eF 74 47B 0 43,-3.2 45,-2.9 -2,-0.5 2,-0.7 -0.968 12.6-151.9-121.5 121.8 35.3 44.4 1.1 31 30 A V E -eF 75 46B 0 15,-2.9 14,-2.9 -2,-0.5 15,-1.2 -0.841 25.5-161.6 -95.1 117.2 35.4 44.5 4.9 32 31 A C E -eF 76 44B 0 43,-3.8 45,-2.7 -2,-0.7 2,-0.6 -0.679 26.1-147.5-107.1 155.9 38.3 42.6 6.2 33 32 A V E - F 0 43B 63 10,-2.7 10,-1.5 -2,-0.3 2,-0.6 -0.932 25.3-155.6-116.1 98.0 39.5 41.1 9.4 34 33 A F E - F 0 42B 81 -2,-0.6 8,-0.3 8,-0.2 7,-0.1 -0.687 10.3-166.4 -82.4 116.9 43.3 41.4 9.4 35 34 A S - 0 0 32 6,-1.1 7,-0.2 -2,-0.6 -1,-0.1 0.625 29.3-132.9 -77.5 -13.2 45.0 38.8 11.6 36 35 A G S S+ 0 0 39 5,-0.6 3,-0.1 2,-0.3 -1,-0.1 0.479 74.2 115.6 77.3 1.1 48.4 40.6 11.6 37 36 A R S S- 0 0 55 1,-0.3 2,-0.3 215,-0.0 -1,-0.1 0.853 92.3 -9.4 -70.1 -35.6 50.5 37.5 10.8 38 37 A F S > S- 0 0 127 1,-0.1 3,-4.1 3,-0.0 -1,-0.3 -0.962 96.7 -70.1-160.8 148.5 51.5 39.1 7.5 39 38 A E T 3 S+ 0 0 174 1,-0.3 -3,-0.2 -2,-0.3 -1,-0.1 0.506 127.0 6.9 1.4 -82.8 50.5 42.2 5.4 40 39 A D T 3 S+ 0 0 43 -5,-0.1 23,-0.4 -3,-0.1 -1,-0.3 -0.092 89.8 145.5-107.4 31.4 47.0 41.1 4.3 41 40 A S < + 0 0 4 -3,-4.1 -6,-1.1 21,-0.1 -5,-0.6 -0.410 41.5 60.8 -66.6 147.3 46.7 37.9 6.3 42 41 A G E S-F 34 0B 26 -8,-0.3 20,-1.5 -7,-0.2 21,-0.4 -0.844 75.2 -82.6 133.1-168.3 43.1 37.3 7.4 43 42 A A E -FG 33 61B 37 -10,-1.5 -10,-2.7 18,-0.3 2,-0.4 -0.843 34.3 -96.4-136.8 171.3 39.7 36.8 6.0 44 43 A V E -F 32 0B 5 16,-1.9 15,-3.2 13,-0.3 -12,-0.2 -0.769 19.5-169.8 -91.9 129.8 36.7 38.7 4.6 45 44 A A E S- 0 0 29 -14,-2.9 2,-0.3 -2,-0.4 -1,-0.2 0.886 72.0 -39.8 -80.3 -44.6 33.8 39.4 6.9 46 45 A T E -F 31 0B 19 -15,-1.2 -15,-2.9 11,-0.1 -1,-0.4 -0.969 52.1-150.2-171.8 165.2 31.6 40.5 4.0 47 46 A A E -F 30 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.939 29.3-104.2-140.4 160.0 31.6 42.4 0.7 48 47 A N >> - 0 0 0 -19,-2.1 4,-2.3 -2,-0.3 3,-0.7 -0.343 43.8 -97.4 -79.4 171.8 29.0 44.4 -1.1 49 48 A Y H 3> S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.740 121.7 65.3 -62.0 -25.7 27.3 42.9 -4.2 50 49 A E H 34 S+ 0 0 56 -23,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.940 112.4 36.8 -60.8 -42.3 29.6 44.7 -6.6 51 50 A A H X4>S+ 0 0 0 -3,-0.7 5,-1.6 -24,-0.2 3,-1.2 0.868 110.9 59.4 -76.9 -40.0 32.3 42.5 -5.1 52 51 A R H ><5S+ 0 0 80 -4,-2.3 3,-2.4 1,-0.3 -1,-0.2 0.827 90.8 71.0 -60.5 -33.1 30.2 39.4 -4.6 53 52 A K T 3<5S+ 0 0 154 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.840 101.4 45.8 -52.2 -34.5 29.5 39.2 -8.3 54 53 A F T < 5S- 0 0 128 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.212 129.2 -92.0 -96.2 15.4 33.1 38.2 -8.9 55 54 A G T < 5S+ 0 0 39 -3,-2.4 2,-0.9 1,-0.2 -3,-0.2 0.436 81.1 136.7 92.9 -1.8 33.3 35.6 -6.1 56 55 A V < + 0 0 0 -5,-1.6 2,-0.2 -8,-0.1 -1,-0.2 -0.722 32.0 140.0 -84.1 109.0 34.6 37.9 -3.3 57 56 A K > - 0 0 125 -2,-0.9 3,-1.5 -3,-0.1 -13,-0.3 -0.831 54.9 -56.6-140.4 177.5 32.5 36.9 -0.3 58 57 A A T 3 S+ 0 0 56 -2,-0.2 -13,-0.2 1,-0.2 -12,-0.1 -0.262 114.4 25.2 -58.4 139.6 32.6 36.3 3.5 59 58 A G T 3 S+ 0 0 61 -15,-3.2 -1,-0.2 1,-0.3 -14,-0.1 0.122 87.5 116.1 95.3 -22.3 35.1 33.7 4.6 60 59 A I S < S- 0 0 32 -3,-1.5 -16,-1.9 1,-0.1 -1,-0.3 -0.512 76.2 -93.6 -82.2 152.2 37.6 33.8 1.8 61 60 A P B > -G 43 0B 62 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.314 27.1-126.8 -60.7 146.1 41.2 34.9 2.6 62 61 A I H > S+ 0 0 0 -20,-1.5 4,-2.4 -22,-0.3 5,-0.2 0.897 111.5 58.9 -59.5 -38.5 41.8 38.6 2.0 63 62 A V H > S+ 0 0 64 -23,-0.4 4,-1.0 -21,-0.4 -1,-0.2 0.848 104.8 48.4 -59.0 -39.3 44.8 37.6 -0.2 64 63 A E H > S+ 0 0 95 -3,-0.4 4,-1.8 2,-0.2 3,-0.5 0.906 109.1 54.1 -68.7 -40.8 42.4 35.6 -2.5 65 64 A A H X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.2 -2,-0.2 0.908 107.2 50.6 -59.9 -42.6 40.1 38.6 -2.7 66 65 A K H < S+ 0 0 62 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.728 105.4 55.7 -70.2 -21.9 42.9 40.8 -3.8 67 66 A K H < S+ 0 0 155 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.903 116.6 37.6 -73.5 -41.3 44.0 38.4 -6.6 68 67 A I H < S+ 0 0 82 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.926 136.1 19.3 -74.3 -47.6 40.4 38.6 -7.9 69 68 A L >< + 0 0 27 -4,-3.3 3,-2.1 -5,-0.2 -1,-0.2 -0.518 66.4 164.6-125.6 66.9 39.8 42.3 -7.3 70 69 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.788 80.6 46.6 -52.3 -29.5 43.1 44.0 -6.8 71 70 A N T 3 S+ 0 0 154 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.365 86.0 112.5-100.0 8.7 41.5 47.4 -7.2 72 71 A A S < S- 0 0 12 -3,-2.1 2,-0.6 -7,-0.1 -43,-0.2 -0.176 77.9 -96.1 -71.0 170.7 38.5 47.0 -4.9 73 72 A V E -e 29 0B 36 -45,-2.9 -43,-3.2 -49,-0.1 2,-0.6 -0.825 38.3-162.6 -94.0 118.6 38.2 49.0 -1.7 74 73 A Y E -e 30 0B 38 -2,-0.6 -43,-0.2 -45,-0.2 -45,-0.0 -0.907 10.4-178.4-107.9 120.1 39.4 47.1 1.3 75 74 A L E -e 31 0B 36 -45,-2.9 -43,-3.8 -2,-0.6 2,-0.2 -0.904 28.6-115.9-120.0 144.3 38.4 48.2 4.8 76 75 A P E -e 32 0B 74 0, 0.0 -43,-0.2 0, 0.0 2,-0.1 -0.507 45.8 -98.1 -74.3 140.3 39.2 47.0 8.3 77 76 A M - 0 0 70 -45,-2.7 2,-0.3 -2,-0.2 -43,-0.1 -0.389 33.8-168.3 -62.5 130.6 36.1 45.7 10.2 78 77 A R >> + 0 0 112 1,-0.2 4,-1.7 -2,-0.1 3,-0.5 -0.634 13.0 171.0-121.9 71.4 34.7 48.3 12.6 79 78 A K H 3> S+ 0 0 97 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.808 71.3 58.7 -47.8 -47.0 32.2 46.2 14.6 80 79 A E H 3> S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 108.3 47.4 -53.9 -47.6 31.4 48.8 17.3 81 80 A V H <> S+ 0 0 45 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.927 112.1 48.3 -60.4 -47.7 30.2 51.2 14.6 82 81 A Y H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.868 110.5 53.9 -63.5 -34.8 28.1 48.5 12.9 83 82 A Q H X S+ 0 0 84 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.892 107.0 48.9 -68.2 -39.5 26.6 47.5 16.3 84 83 A Q H X S+ 0 0 128 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.905 112.6 48.1 -67.7 -38.7 25.5 51.1 17.1 85 84 A V H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.934 110.9 52.3 -64.3 -46.1 23.8 51.4 13.7 86 85 A S H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.955 105.6 54.3 -54.2 -53.6 22.1 48.1 14.2 87 86 A S H X S+ 0 0 49 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.872 107.9 50.1 -49.1 -43.7 20.8 49.1 17.6 88 87 A R H X S+ 0 0 106 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.935 111.0 48.1 -64.5 -44.8 19.1 52.2 16.1 89 88 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.908 109.7 53.1 -63.7 -37.4 17.5 50.2 13.3 90 89 A M H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.889 105.1 55.7 -64.0 -37.1 16.3 47.6 15.9 91 90 A N H < S+ 0 0 81 -4,-2.1 -1,-0.2 -5,-0.2 4,-0.2 0.878 106.0 50.6 -62.4 -37.1 14.7 50.4 17.9 92 91 A L H >< S+ 0 0 27 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.901 110.2 49.2 -66.8 -41.4 12.7 51.5 14.8 93 92 A L H >X S+ 0 0 0 -4,-1.9 3,-3.0 1,-0.3 4,-0.8 0.895 99.8 66.3 -62.9 -39.7 11.5 48.0 14.3 94 93 A R T 3< S+ 0 0 110 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.603 93.3 63.2 -58.6 -10.3 10.5 47.9 18.0 95 94 A E T <4 S+ 0 0 148 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.533 98.8 52.2 -91.6 -9.8 8.0 50.5 17.0 96 95 A Y T <4 S+ 0 0 37 -3,-3.0 2,-0.3 1,-0.4 -2,-0.2 0.571 126.6 2.7 -99.8 -12.9 6.1 48.2 14.7 97 96 A S < - 0 0 0 -4,-0.8 -1,-0.4 1,-0.1 15,-0.1 -0.858 47.9-149.0-173.4 136.7 5.7 45.4 17.3 98 97 A E S S+ 0 0 143 -2,-0.3 2,-1.6 1,-0.2 -1,-0.1 0.774 90.7 78.4 -78.7 -27.5 6.5 44.8 20.9 99 98 A K + 0 0 102 12,-0.4 12,-2.6 2,-0.0 2,-0.4 -0.650 69.3 148.1 -84.9 87.4 7.0 41.1 20.1 100 99 A I E -C 110 0A 4 -2,-1.6 2,-0.6 10,-0.2 10,-0.2 -0.966 36.7-159.4-128.7 141.2 10.4 41.3 18.6 101 100 A E E -C 109 0A 9 8,-2.8 8,-2.0 -2,-0.4 2,-1.4 -0.945 9.5-154.1-119.8 108.9 13.3 38.8 18.5 102 101 A I E +C 108 0A 61 -2,-0.6 6,-0.2 6,-0.2 139,-0.1 -0.694 18.4 177.8 -82.8 95.6 16.7 40.4 17.8 103 102 A A E - 0 0 18 -2,-1.4 2,-0.3 4,-0.6 -1,-0.2 0.786 58.3 -25.7 -71.0 -29.1 18.4 37.3 16.3 104 103 A S E > S-C 107 0A 44 3,-1.8 3,-0.8 -3,-0.1 -1,-0.1 -0.951 82.2 -65.7-166.7-176.0 21.7 38.9 15.5 105 104 A I T 3 S+ 0 0 32 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.722 131.2 23.6 -58.9 -21.3 23.5 42.1 14.7 106 105 A D T 3 S+ 0 0 33 1,-0.1 -97,-2.6 -98,-0.0 2,-0.3 0.254 114.5 58.3-135.2 20.6 21.6 42.4 11.4 107 106 A E E < +AC 8 104A 30 -3,-0.8 -3,-1.8 -99,-0.2 -4,-0.6 -0.999 45.7 168.9-150.6 148.3 18.3 40.4 11.7 108 107 A A E -AC 7 102A 0 -101,-1.8 -101,-2.8 -2,-0.3 2,-0.4 -0.989 21.3-139.2-153.7 153.3 15.2 40.4 13.7 109 108 A Y E -AC 6 101A 16 -8,-2.0 -8,-2.8 -2,-0.3 2,-0.4 -0.905 14.1-161.4-114.8 145.9 11.7 38.8 13.7 110 109 A L E -AC 5 100A 0 -105,-2.3 -105,-2.3 -2,-0.4 2,-1.0 -0.993 17.5-137.8-128.9 135.0 8.5 40.5 14.6 111 110 A D E +A 4 0A 7 -12,-2.6 -12,-0.4 -2,-0.4 3,-0.3 -0.818 30.6 167.8 -90.0 103.3 5.2 38.8 15.6 112 111 A I >> + 0 0 0 -109,-1.9 3,-1.6 -2,-1.0 4,-1.1 0.023 35.6 119.5-106.1 26.6 2.8 41.0 13.7 113 112 A S T 34 S+ 0 0 33 -110,-0.3 3,-0.3 1,-0.3 -1,-0.2 0.902 85.2 31.4 -57.7 -46.4 -0.1 38.6 14.2 114 113 A D T 34 S+ 0 0 113 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 -0.187 112.1 67.5-106.2 41.1 -2.2 41.1 16.1 115 114 A K T <4 S+ 0 0 60 -3,-1.6 2,-0.3 1,-0.5 -2,-0.2 0.449 113.5 5.6-127.3 -20.2 -0.9 44.1 14.2 116 115 A V < - 0 0 11 -4,-1.1 -1,-0.5 -3,-0.3 2,-0.4 -0.952 67.1-126.8-156.5 169.2 -2.4 43.2 10.8 117 116 A R S > S- 0 0 155 -2,-0.3 4,-0.7 -3,-0.1 5,-0.1 -0.994 71.4 -2.5-129.9 130.2 -4.8 40.6 9.3 118 117 A D H > S- 0 0 94 -2,-0.4 4,-1.2 1,-0.1 3,-0.3 0.262 89.2 -81.9 71.5 158.0 -4.0 38.5 6.2 119 118 A Y H > S+ 0 0 36 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.760 119.7 70.2 -65.9 -28.4 -0.7 38.7 4.2 120 119 A R H > S+ 0 0 152 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.955 104.1 40.2 -54.3 -55.5 -1.8 41.7 2.2 121 120 A E H X S+ 0 0 43 -4,-0.7 4,-2.3 -3,-0.3 -1,-0.2 0.870 114.1 56.4 -62.3 -36.2 -1.6 44.1 5.1 122 121 A A H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.950 105.9 49.7 -59.1 -50.6 1.6 42.3 6.2 123 122 A Y H X S+ 0 0 94 -4,-3.5 4,-1.8 1,-0.2 -1,-0.2 0.907 111.2 48.9 -54.8 -46.1 3.2 43.0 2.8 124 123 A N H X S+ 0 0 64 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.868 108.9 53.0 -64.0 -37.3 2.2 46.7 3.1 125 124 A L H X S+ 0 0 13 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.857 105.9 55.5 -66.3 -32.6 3.7 46.8 6.6 126 125 A G H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.911 108.7 45.8 -65.3 -42.4 6.9 45.3 5.1 127 126 A L H X S+ 0 0 61 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.887 110.9 53.2 -67.5 -38.9 7.2 48.1 2.6 128 127 A E H X S+ 0 0 110 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.933 112.9 45.2 -60.6 -44.7 6.4 50.7 5.3 129 128 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.900 112.7 49.0 -66.8 -43.0 9.2 49.2 7.3 130 129 A K H X S+ 0 0 25 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.962 114.9 46.0 -60.7 -49.7 11.7 49.0 4.4 131 130 A N H X S+ 0 0 103 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.882 110.8 52.6 -59.9 -41.3 10.9 52.6 3.5 132 131 A K H X S+ 0 0 71 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.901 111.5 45.3 -64.5 -40.2 11.1 53.9 7.1 133 132 A I H X>S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 6,-1.0 0.886 112.6 51.0 -71.2 -38.1 14.6 52.3 7.6 134 133 A L H X5S+ 0 0 80 -4,-2.3 4,-1.4 4,-0.2 -2,-0.2 0.935 114.8 44.6 -63.2 -43.9 15.8 53.6 4.2 135 134 A E H <5S+ 0 0 142 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.948 120.7 37.4 -64.7 -51.5 14.6 57.1 5.2 136 135 A K H <5S+ 0 0 130 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.894 138.6 10.3 -70.7 -45.0 15.9 57.2 8.8 137 136 A E H <5S- 0 0 36 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.345 91.0-122.5-120.3 5.7 19.3 55.3 8.4 138 137 A K << + 0 0 154 -4,-1.4 2,-0.5 -5,-0.5 -4,-0.2 0.852 66.1 138.9 55.0 36.8 19.7 55.1 4.6 139 138 A I - 0 0 0 -6,-1.0 2,-0.3 -9,-0.1 -1,-0.2 -0.953 45.4-146.6-117.3 125.8 19.9 51.3 4.9 140 139 A T + 0 0 24 -2,-0.5 -130,-1.5 -130,-0.1 2,-0.3 -0.684 24.7 177.0 -87.7 142.5 18.3 48.9 2.5 141 140 A V E -B 9 0A 1 -2,-0.3 2,-0.4 -132,-0.2 -132,-0.2 -0.845 26.3-121.3-137.2 172.8 17.0 45.6 4.0 142 141 A T E -B 8 0A 0 -134,-2.3 -134,-2.0 -2,-0.3 2,-0.4 -0.980 21.7-148.9-122.4 133.8 15.1 42.5 2.8 143 142 A V E -Bd 7 164A 0 20,-2.5 22,-1.4 -2,-0.4 2,-0.4 -0.839 8.9-168.9-106.4 138.2 11.8 41.4 4.3 144 143 A G E -Bd 6 165A 0 -138,-2.8 -138,-4.1 -2,-0.4 2,-0.4 -0.991 7.3-173.5-124.2 132.1 10.6 37.9 4.7 145 144 A I E +Bd 5 166A 0 20,-2.3 22,-2.6 -2,-0.4 2,-0.2 -0.985 22.6 118.6-133.1 128.3 7.1 37.1 5.7 146 145 A S E -B 4 0A 0 -142,-1.8 -142,-2.8 -2,-0.4 22,-0.1 -0.808 69.4 -75.5-159.2-162.7 5.4 33.7 6.4 147 146 A K S S+ 0 0 28 20,-0.3 2,-0.3 -2,-0.2 -145,-0.2 0.620 106.6 18.7 -88.5 -16.7 3.7 31.7 9.2 148 147 A N S > S- 0 0 1 -144,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.911 86.0 -97.9-144.3 172.6 6.7 30.8 11.3 149 148 A K H > S+ 0 0 18 87,-0.4 4,-2.2 -2,-0.3 5,-0.2 0.862 115.0 55.3 -63.3 -40.6 10.3 32.1 11.8 150 149 A V H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 113.3 40.8 -61.7 -42.6 12.0 29.5 9.7 151 150 A F H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.801 110.2 56.5 -78.3 -28.3 9.9 30.3 6.6 152 151 A A H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.935 110.8 46.9 -65.0 -44.3 10.0 34.0 7.1 153 152 A K H >X S+ 0 0 34 -4,-2.2 4,-2.1 1,-0.2 3,-0.5 0.937 110.4 51.2 -60.9 -49.1 13.8 33.7 7.1 154 153 A I H 3X S+ 0 0 7 -4,-2.1 4,-2.0 1,-0.3 -1,-0.2 0.861 106.1 56.1 -56.3 -39.0 13.8 31.5 4.0 155 154 A A H 3X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.3 0.853 106.8 49.6 -63.5 -35.0 11.5 34.1 2.2 156 155 A A H < S+ 0 0 83 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.908 109.1 50.8 -59.0 -40.0 16.9 34.6 1.5 158 157 A M H 3< S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.767 113.0 45.0 -68.8 -25.0 14.9 34.2 -1.6 159 158 A A H 3< S+ 0 0 22 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.425 88.7 168.6-100.3 -0.4 14.3 38.0 -2.0 160 159 A K << + 0 0 53 -4,-0.9 2,-0.1 -3,-0.7 4,-0.0 -0.339 44.3 37.5 -62.8 136.3 17.9 39.2 -1.4 161 160 A P S S- 0 0 59 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.630 130.1 -23.4-103.8 173.4 18.9 41.9 -1.8 162 161 A N S S+ 0 0 88 1,-0.2 -20,-0.2 -22,-0.1 2,-0.2 0.843 104.4 126.5 41.3 46.6 16.6 44.9 -1.1 163 162 A G - 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0 0 44 -2,-0.8 4,-2.4 -3,-0.1 3,-0.3 -0.123 53.3 -78.4 -85.3-170.0 25.1 23.1 7.6 189 188 A N H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.865 128.1 55.3 -58.7 -40.5 27.4 21.0 5.5 190 189 A I H > S+ 0 0 120 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.859 114.4 39.0 -62.8 -38.4 27.8 18.3 8.2 191 190 A T H > S+ 0 0 15 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.846 109.7 60.0 -81.0 -35.5 24.1 17.8 8.5 192 191 A A H X S+ 0 0 12 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.930 107.6 47.6 -57.1 -45.1 23.4 18.1 4.8 193 192 A E H X S+ 0 0 106 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.903 111.2 48.1 -63.8 -44.8 25.7 15.1 4.2 194 193 A K H < S+ 0 0 70 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.943 112.4 49.7 -62.4 -45.7 24.2 12.9 6.9 195 194 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 3,-0.6 0.815 108.7 54.0 -61.7 -30.9 20.7 13.7 5.6 196 195 A K H ><5S+ 0 0 85 -4,-1.6 3,-1.8 1,-0.2 -1,-0.2 0.917 103.0 54.8 -68.6 -43.4 21.9 12.8 2.1 197 196 A K T 3<5S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.532 108.8 52.0 -66.7 -5.5 23.2 9.4 3.3 198 197 A L T < 5S- 0 0 16 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.444 119.6-107.8-108.8 -3.5 19.6 8.8 4.6 199 198 A G T < 5S+ 0 0 45 -3,-1.8 2,-0.9 -4,-0.2 -3,-0.2 0.611 76.1 136.9 85.8 13.7 17.9 9.7 1.3 200 199 A I < + 0 0 0 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.779 4.6 142.3 -99.3 94.1 16.6 13.0 2.8 201 200 A N + 0 0 60 -2,-0.9 -20,-2.8 -3,-0.1 -19,-0.3 0.537 69.4 35.9-104.8 -13.2 17.1 15.7 0.1 202 201 A K B S-H 180 0C 72 -22,-0.2 3,-0.4 -3,-0.2 4,-0.3 -0.871 87.5-108.0-134.0 166.7 13.9 17.6 0.9 203 202 A L S > S+ 0 0 1 -24,-0.6 3,-2.2 -28,-0.4 4,-0.3 0.926 116.4 57.9 -62.1 -46.4 11.9 18.4 4.1 204 203 A V G > S+ 0 0 52 -28,-2.3 3,-2.0 1,-0.3 4,-0.3 0.812 92.3 71.3 -55.5 -30.7 9.1 16.0 3.3 205 204 A D G > S+ 0 0 36 -3,-0.4 3,-0.8 1,-0.3 -1,-0.3 0.675 83.1 69.7 -61.9 -17.2 11.7 13.1 3.1 206 205 A T G X S+ 0 0 2 -3,-2.2 3,-0.6 -4,-0.3 -1,-0.3 0.667 91.6 61.4 -75.0 -14.0 12.1 13.3 6.9 207 206 A L G < S+ 0 0 82 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.638 96.6 57.6 -84.9 -16.7 8.6 11.8 7.2 208 207 A S G < S+ 0 0 94 -3,-0.8 2,-0.3 -4,-0.3 -1,-0.2 0.061 94.7 82.4-102.4 25.2 9.5 8.6 5.4 209 208 A I S < S- 0 0 39 -3,-0.6 2,-0.4 -9,-0.0 -10,-0.0 -0.959 89.7-103.1-128.5 144.9 12.2 7.7 7.8 210 209 A E >> - 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