==== 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 19-DEC-07 3BQ0 . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ACIDOCALDARIUS; . AUTHOR J.D.PATA,R.C.WILSON . 341 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 18.5 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 . 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 . 24 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.0 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 . 5 1.5 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 3 1 2 0 1 0 0 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 1 0 1 2 1 2 0 0 1 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 1 0 0 0 0 0 1 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 91 0, 0.0 2,-0.5 0, 0.0 107,-0.0 0.000 360.0 360.0 360.0 133.4 43.1 16.6 5.8 2 2 A I - 0 0 5 141,-0.0 107,-2.6 2,-0.0 108,-1.0 -0.964 360.0-176.3-112.0 119.7 41.8 19.4 3.6 3 3 A V E -AB 108 144A 0 141,-2.4 141,-2.1 -2,-0.5 2,-0.6 -0.950 11.8-161.4-118.1 127.3 40.3 18.3 0.3 4 4 A I E -AB 107 143A 0 103,-2.9 103,-2.0 -2,-0.4 2,-0.5 -0.940 7.0-160.6-110.4 115.8 39.0 20.5 -2.5 5 5 A F E -AB 106 142A 0 137,-2.8 137,-1.5 -2,-0.6 2,-0.5 -0.809 4.8-164.2 -93.2 123.9 36.6 18.9 -5.0 6 6 A V E -AB 105 141A 0 99,-3.2 99,-2.4 -2,-0.5 2,-0.4 -0.958 8.6-179.9-110.1 126.5 36.3 20.8 -8.3 7 7 A D E -AB 104 140A 11 133,-2.8 133,-2.6 -2,-0.5 2,-0.5 -0.971 25.5-128.1-122.1 136.6 33.4 19.8 -10.6 8 8 A F E > - B 0 139A 2 95,-2.6 3,-0.6 -2,-0.4 2,-0.6 -0.766 24.5-119.6 -91.6 130.2 32.9 21.6 -13.9 9 9 A D T 3 S- 0 0 8 129,-1.7 129,-0.2 -2,-0.5 5,-0.2 -0.543 81.2 -33.1 -71.2 113.7 29.4 23.1 -14.6 10 10 A Y T 3> S- 0 0 102 -2,-0.6 4,-1.7 3,-0.1 -1,-0.3 0.908 83.2-167.5 42.2 63.6 27.7 21.5 -17.6 11 11 A F H <> S+ 0 0 3 -3,-0.6 4,-2.7 1,-0.2 3,-0.3 0.866 71.6 47.4 -58.4 -55.7 31.1 21.2 -19.1 12 12 A F H > S+ 0 0 23 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.876 114.1 49.2 -57.6 -41.1 30.5 20.3 -22.8 13 13 A A H > S+ 0 0 2 -3,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.837 112.2 49.5 -65.2 -33.7 27.9 23.1 -23.1 14 14 A Q H X S+ 0 0 23 -4,-1.7 4,-1.1 -3,-0.3 -2,-0.2 0.878 109.6 49.8 -76.7 -37.5 30.3 25.6 -21.5 15 15 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 3,-0.5 0.930 111.3 50.0 -62.8 -45.0 33.2 24.6 -23.8 16 16 A E H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.925 108.4 51.6 -61.6 -44.1 30.9 25.0 -26.8 17 17 A E H < S+ 0 0 21 -4,-2.0 7,-0.4 1,-0.2 6,-0.3 0.768 110.7 51.9 -60.5 -27.0 29.7 28.5 -25.7 18 18 A V H < S+ 0 0 39 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.933 113.3 39.3 -79.2 -48.7 33.4 29.4 -25.3 19 19 A L H < S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.743 125.9 41.2 -68.8 -26.0 34.6 28.4 -28.8 20 20 A N >< - 0 0 36 -4,-2.0 3,-2.5 -5,-0.3 4,-0.4 -0.657 68.9-178.4-124.4 74.5 31.4 29.7 -30.3 21 21 A P G > S+ 0 0 90 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.671 77.4 70.0 -53.8 -18.0 30.6 33.0 -28.5 22 22 A Q G 3 S+ 0 0 134 1,-0.2 -5,-0.1 -3,-0.1 -4,-0.1 0.371 87.0 66.8 -81.8 4.3 27.4 33.4 -30.5 23 23 A Y G X S+ 0 0 36 -3,-2.5 3,-1.5 -6,-0.3 -1,-0.2 0.789 76.5 103.7 -87.1 -37.3 25.8 30.5 -28.6 24 24 A K T < S+ 0 0 111 -3,-0.5 21,-0.0 -4,-0.4 -6,-0.0 -0.105 84.8 18.9 -44.0 139.9 25.7 32.4 -25.3 25 25 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.573 112.8 84.9 75.2 10.9 22.2 33.6 -24.3 26 26 A K S < S- 0 0 107 -3,-1.5 22,-0.3 44,-0.0 21,-0.2 -0.984 93.1 -85.5-143.5 146.2 20.5 31.3 -26.7 27 27 A P - 0 0 18 0, 0.0 43,-1.8 0, 0.0 2,-0.4 -0.308 47.5-176.8 -59.8 130.8 19.4 27.6 -26.2 28 28 A L E -j 70 0B 0 41,-0.2 17,-2.5 -2,-0.0 2,-0.5 -0.996 9.5-170.8-133.2 130.4 22.2 25.1 -26.9 29 29 A V E -jK 71 44B 0 41,-3.5 43,-2.2 -2,-0.4 2,-0.5 -0.968 11.1-152.4-125.7 117.8 22.1 21.3 -26.9 30 30 A V E -jK 72 43B 0 13,-2.9 12,-2.7 -2,-0.5 13,-0.7 -0.769 23.0-150.8 -88.8 130.6 25.1 19.1 -27.2 31 31 A C E -jK 73 41B 5 41,-3.0 43,-1.9 -2,-0.5 2,-0.4 -0.680 13.8-162.8-108.9 156.5 24.2 15.7 -28.7 32 32 A V E - K 0 40B 49 8,-2.2 8,-2.1 -2,-0.2 2,-0.2 -0.993 6.5-173.2-141.3 128.1 25.5 12.1 -28.4 33 33 A Y - 0 0 124 -2,-0.4 2,-0.2 6,-0.2 6,-0.2 -0.646 15.0-133.3-112.8 170.5 24.9 9.2 -30.7 34 34 A S 0 0 87 4,-0.3 -1,-0.1 1,-0.3 5,-0.0 -0.489 360.0 360.0-116.6-174.2 25.9 5.5 -30.4 35 35 A G 0 0 109 -2,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.078 360.0 360.0 -60.9 360.0 27.5 2.7 -32.5 36 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 37 39 A T 0 0 131 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 171.2 21.6 5.7 -34.7 38 40 A S - 0 0 95 -3,-0.2 2,-0.4 20,-0.0 -4,-0.3 -0.765 360.0-152.0 -99.4 125.4 20.0 7.1 -31.6 39 41 A G + 0 0 15 -2,-0.5 20,-1.8 -6,-0.2 2,-0.3 -0.773 18.7 168.0 -98.5 134.7 20.5 10.7 -30.4 40 42 A A E -KL 32 58B 26 -8,-2.1 -8,-2.2 -2,-0.4 2,-0.6 -0.881 41.8 -90.5-133.9 166.7 20.3 11.8 -26.8 41 43 A V E -K 31 0B 4 16,-2.3 15,-2.2 13,-0.3 -10,-0.2 -0.702 30.9-179.1 -82.3 117.7 21.3 15.0 -24.9 42 44 A A E S- 0 0 23 -12,-2.7 2,-0.3 -2,-0.6 -1,-0.2 0.969 72.1 -24.3 -72.1 -68.3 24.8 15.0 -23.6 43 45 A T E -K 30 0B 22 -13,-0.7 -13,-2.9 12,-0.1 -1,-0.4 -0.915 57.7-151.6-139.7 166.4 24.5 18.5 -22.0 44 46 A A E -K 29 0B 3 -2,-0.3 -15,-0.2 -15,-0.2 -31,-0.1 -0.985 22.2-118.4-138.4 145.0 22.4 21.6 -22.5 45 47 A N > - 0 0 2 -17,-2.5 4,-2.7 -2,-0.3 5,-0.3 -0.159 43.8 -83.0 -77.0 176.8 23.3 25.3 -21.7 46 48 A Y H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.894 127.7 41.8 -48.3 -54.8 21.5 27.6 -19.3 47 49 A E H > S+ 0 0 44 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.809 113.9 53.4 -69.8 -29.0 18.6 28.7 -21.5 48 50 A A H >4>S+ 0 0 0 -22,-0.3 5,-1.8 -3,-0.2 3,-0.8 0.928 110.5 46.6 -62.3 -46.5 18.2 25.2 -22.9 49 51 A R H ><5S+ 0 0 64 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.832 104.9 61.6 -66.2 -32.2 17.9 23.8 -19.3 50 52 A K H 3<5S+ 0 0 162 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.762 101.1 54.0 -62.2 -28.9 15.4 26.6 -18.6 51 53 A L T <<5S- 0 0 79 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.537 130.0 -98.0 -83.7 -9.3 13.2 25.1 -21.3 52 54 A G T < 5S+ 0 0 34 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.2 0.470 72.4 148.6 106.2 6.0 13.3 21.8 -19.5 53 55 A V < + 0 0 2 -5,-1.8 -1,-0.3 -8,-0.1 2,-0.3 -0.571 20.7 171.5 -75.6 130.9 16.1 20.1 -21.6 54 56 A K > - 0 0 140 -2,-0.3 3,-1.7 -11,-0.1 -13,-0.3 -0.958 38.6 -75.3-141.3 159.3 18.1 17.6 -19.5 55 57 A A T 3 S+ 0 0 76 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.168 113.6 23.6 -53.2 139.0 20.8 14.9 -19.9 56 58 A G T 3 S+ 0 0 56 -15,-2.2 -1,-0.2 1,-0.3 -14,-0.1 0.016 85.3 135.8 94.4 -26.9 19.6 11.6 -21.4 57 59 A M < - 0 0 38 -3,-1.7 -16,-2.3 -16,-0.2 -1,-0.3 -0.279 62.2-111.0 -55.2 133.8 16.6 13.1 -23.1 58 60 A P B > -L 40 0B 53 0, 0.0 4,-1.6 0, 0.0 -18,-0.3 -0.192 25.1-116.7 -60.4 164.0 16.2 11.8 -26.7 59 61 A I H > S+ 0 0 21 -20,-1.8 4,-1.9 2,-0.2 -19,-0.1 0.868 111.5 50.5 -79.3 -35.8 16.9 14.4 -29.4 60 62 A I H > S+ 0 0 116 -21,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.923 111.6 49.8 -64.4 -44.3 13.3 14.5 -30.9 61 63 A K H > S+ 0 0 107 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.895 109.2 51.3 -60.4 -42.7 11.9 15.0 -27.5 62 64 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.875 109.2 52.3 -62.2 -39.0 14.4 17.8 -26.8 63 65 A M H < S+ 0 0 88 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.838 102.4 58.5 -64.2 -37.7 13.3 19.4 -30.1 64 66 A Q H < S+ 0 0 140 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.894 117.5 31.8 -59.3 -43.0 9.6 19.3 -29.2 65 67 A I H < S+ 0 0 71 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.587 132.3 33.8 -94.5 -15.1 10.2 21.4 -26.1 66 68 A A >< + 0 0 1 -4,-1.4 3,-1.7 -5,-0.2 -1,-0.2 -0.399 61.2 153.5-137.7 62.7 13.1 23.5 -27.5 67 69 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.815 77.5 57.4 -60.5 -29.4 12.6 24.0 -31.3 68 70 A S T 3 S+ 0 0 88 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.502 86.5 111.7 -78.8 -6.2 14.7 27.2 -31.2 69 71 A A < - 0 0 12 -3,-1.7 2,-0.5 -7,-0.1 -41,-0.2 -0.251 68.0-127.3 -65.6 154.2 17.7 25.3 -29.7 70 72 A I E -j 28 0B 61 -43,-1.8 -41,-3.5 -47,-0.1 2,-0.6 -0.926 21.9-155.7 -98.1 126.4 21.0 24.7 -31.6 71 73 A Y E +j 29 0B 54 -2,-0.5 -41,-0.2 -43,-0.2 -43,-0.0 -0.935 16.4 177.8-109.0 120.5 21.9 21.0 -31.6 72 74 A V E -j 30 0B 15 -43,-2.2 -41,-3.0 -2,-0.6 2,-0.1 -0.918 29.7-107.4-121.9 148.5 25.6 20.4 -32.0 73 75 A P E -j 31 0B 90 0, 0.0 -41,-0.2 0, 0.0 2,-0.0 -0.460 39.7 -98.9 -75.6 147.0 27.5 17.1 -32.1 74 76 A M - 0 0 50 -43,-1.9 2,-0.2 -2,-0.1 -41,-0.1 -0.366 30.5-164.1 -52.4 134.8 29.7 16.0 -29.2 75 77 A R >> + 0 0 85 1,-0.1 4,-1.8 -3,-0.1 3,-0.7 -0.671 10.4 177.7-124.4 78.1 33.4 16.7 -29.8 76 78 A K H 3> S+ 0 0 83 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.817 74.7 59.2 -43.3 -45.5 35.2 14.6 -27.2 77 79 A P H 3> S+ 0 0 94 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.922 108.9 43.8 -60.5 -41.9 38.7 15.4 -28.3 78 80 A I H <> S+ 0 0 54 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.877 113.4 49.8 -68.9 -40.2 38.2 19.2 -27.8 79 81 A Y H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.865 110.5 52.7 -65.8 -35.3 36.4 18.7 -24.4 80 82 A E H X S+ 0 0 45 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.879 110.1 46.3 -67.6 -40.1 39.3 16.4 -23.4 81 83 A A H X S+ 0 0 49 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.861 112.1 50.9 -70.3 -36.1 41.9 19.0 -24.3 82 84 A F H X S+ 0 0 6 -4,-2.2 4,-1.5 2,-0.2 3,-0.2 0.939 110.5 49.9 -63.8 -50.0 40.0 21.8 -22.5 83 85 A S H X S+ 0 0 3 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.892 106.4 57.0 -50.4 -46.6 39.8 19.6 -19.4 84 86 A N H X S+ 0 0 90 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.881 102.6 52.2 -60.7 -40.1 43.5 18.9 -19.6 85 87 A R H X S+ 0 0 112 -4,-1.6 4,-1.5 -3,-0.2 -1,-0.2 0.902 114.4 44.3 -61.0 -39.5 44.4 22.6 -19.4 86 88 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.912 109.2 54.9 -73.0 -43.6 42.2 23.0 -16.3 87 89 A M H X S+ 0 0 13 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.899 109.2 49.6 -56.3 -37.9 43.5 19.8 -14.7 88 90 A N H X S+ 0 0 86 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.852 107.5 53.8 -70.2 -33.7 47.0 21.2 -15.1 89 91 A L H < S+ 0 0 28 -4,-1.5 3,-0.4 2,-0.2 4,-0.3 0.900 110.4 47.3 -60.8 -44.6 45.9 24.5 -13.5 90 92 A L H >X S+ 0 0 0 -4,-2.5 3,-2.5 1,-0.2 4,-0.7 0.913 102.2 65.6 -62.8 -43.5 44.6 22.6 -10.5 91 93 A N H >< S+ 0 0 60 -4,-1.9 3,-0.6 1,-0.3 -1,-0.2 0.792 92.1 61.0 -49.8 -37.2 47.8 20.6 -10.3 92 94 A K T 3< S+ 0 0 140 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.690 109.4 44.0 -67.2 -15.8 49.9 23.7 -9.4 93 95 A H T <4 S+ 0 0 18 -3,-2.5 2,-0.3 -4,-0.3 -1,-0.2 0.589 99.9 81.4-103.4 -14.0 47.7 24.1 -6.3 94 96 A A << - 0 0 15 -4,-0.7 15,-0.2 -3,-0.6 3,-0.2 -0.743 55.9-155.7-108.3 142.1 47.5 20.5 -4.9 95 97 A D S S+ 0 0 45 13,-2.6 2,-0.3 1,-0.3 14,-0.2 0.912 99.7 7.0 -65.8 -46.6 49.8 18.3 -2.9 96 98 A K E S-C 108 0A 88 12,-1.4 12,-2.8 -3,-0.1 2,-0.4 -0.985 72.6-165.6-136.3 143.1 47.9 15.5 -4.5 97 99 A I E -C 107 0A 3 -2,-0.3 142,-0.7 10,-0.2 2,-0.6 -0.992 4.0-165.3-134.9 128.1 45.4 15.5 -7.3 98 100 A E E -Cd 106 239A 0 8,-2.6 8,-2.3 -2,-0.4 2,-0.9 -0.955 13.4-149.0-110.6 113.8 43.0 12.7 -8.3 99 101 A V E +Cd 105 240A 11 140,-1.3 142,-4.0 -2,-0.6 143,-0.3 -0.779 18.4 179.5 -82.9 108.6 41.4 13.2 -11.7 100 102 A A E - 0 0 17 4,-1.3 2,-0.3 -2,-0.9 -1,-0.2 0.863 60.0 -32.3 -81.1 -40.5 38.1 11.4 -11.2 101 103 A S E > S-C 104 0A 33 3,-1.6 3,-1.0 141,-0.1 -1,-0.2 -0.910 82.2 -63.5-162.8-174.6 36.7 12.1 -14.6 102 104 A I T 3 S+ 0 0 20 -2,-0.3 3,-0.0 1,-0.2 140,-0.0 0.763 134.1 21.9 -55.6 -27.6 36.6 14.6 -17.5 103 105 A D T 3 S+ 0 0 44 -95,-0.1 -95,-2.6 1,-0.0 2,-0.4 0.203 113.4 75.4-128.9 15.9 35.0 17.3 -15.3 104 106 A E E < +AC 7 101A 40 -3,-1.0 -3,-1.6 -97,-0.2 -4,-1.3 -0.993 45.4 165.6-130.8 138.2 35.8 16.2 -11.7 105 107 A A E -AC 6 99A 0 -99,-2.4 -99,-3.2 -2,-0.4 2,-0.4 -0.959 22.4-148.0-149.9 136.1 39.0 16.4 -9.6 106 108 A Y E -AC 5 98A 25 -8,-2.3 -8,-2.6 -2,-0.3 2,-0.5 -0.848 17.5-162.3 -94.2 133.7 39.8 16.0 -5.9 107 109 A L E -AC 4 97A 0 -103,-2.0 -103,-2.9 -2,-0.4 2,-0.8 -0.972 13.2-151.0-119.3 122.9 42.7 18.0 -4.6 108 110 A D E +AC 3 96A 10 -12,-2.8 -13,-2.6 -2,-0.5 -12,-1.4 -0.857 26.5 164.6 -84.1 114.0 44.5 17.3 -1.3 109 111 A V > + 0 0 0 -107,-2.6 4,-2.1 -2,-0.8 5,-0.3 0.349 32.3 119.2-112.1 4.4 45.7 20.8 -0.3 110 112 A T T 4>S+ 0 0 35 -108,-1.0 5,-2.7 1,-0.2 6,-0.2 0.819 83.3 37.6 -33.3 -54.2 46.5 20.0 3.4 111 113 A N T >45S+ 0 0 124 3,-0.2 3,-1.0 1,-0.2 -1,-0.2 0.898 111.5 59.3 -72.5 -38.8 50.2 21.0 3.0 112 114 A K T 345S+ 0 0 98 1,-0.3 -2,-0.2 -3,-0.2 -1,-0.2 0.855 116.5 32.6 -57.0 -38.4 49.6 23.9 0.7 113 115 A V T ><5S- 0 0 13 -4,-2.1 3,-1.7 -111,-0.1 -1,-0.3 0.297 110.7-120.9-103.0 6.7 47.4 25.7 3.3 114 116 A E T < 5 - 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0 0 0 -4,-0.9 24,-2.4 1,-0.1 25,-0.3 -0.467 58.0-133.3 -72.3 124.6 22.6 14.3 5.8 178 180 A D B -M 200 0C 52 -2,-0.3 22,-0.3 22,-0.2 3,-0.2 -0.362 11.3-127.4 -73.5 154.9 20.0 12.4 3.9 179 181 A I S > S+ 0 0 1 20,-3.4 3,-0.7 1,-0.2 21,-0.1 0.819 109.5 53.4 -70.6 -31.1 20.6 8.7 2.9 180 182 A D T 3 S+ 0 0 84 19,-0.5 -1,-0.2 1,-0.2 5,-0.1 0.732 94.3 69.7 -77.1 -22.8 19.9 9.4 -0.7 181 183 A E T 3 S+ 0 0 75 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.126 81.7 104.4 -82.5 21.6 22.4 12.3 -1.0 182 184 A I S X S- 0 0 4 -3,-0.7 3,-2.3 3,-0.2 -33,-0.0 -0.904 78.3-110.5-115.0 129.3 25.3 9.8 -0.6 183 185 A P T 3 S+ 0 0 40 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.314 108.0 27.0 -48.0 126.3 27.7 8.5 -3.4 184 186 A G T 3 S+ 0 0 45 1,-0.1 2,-0.7 -2,-0.0 5,-0.1 0.112 101.4 96.5 99.4 -19.6 27.0 4.8 -4.0 185 187 A I < + 0 0 11 -3,-2.3 -3,-0.2 -5,-0.1 -1,-0.1 -0.916 51.6 163.4-105.5 107.9 23.4 5.2 -2.9 186 188 A G > - 0 0 45 -2,-0.7 4,-1.4 -3,-0.1 5,-0.1 -0.088 55.9 -65.0-103.4-154.6 21.1 5.7 -6.0 187 189 A S H > S+ 0 0 109 2,-0.2 4,-0.8 1,-0.2 -2,-0.0 0.741 128.4 44.8 -74.7 -26.0 17.3 5.5 -6.5 188 190 A V H > S+ 0 0 64 2,-0.2 4,-1.3 1,-0.1 3,-0.3 0.941 114.7 44.5 -81.2 -53.0 17.0 1.7 -5.9 189 191 A L H > S+ 0 0 39 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.781 108.8 59.9 -64.7 -29.4 19.2 1.3 -2.7 190 192 A A H X S+ 0 0 9 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.920 103.0 51.4 -60.2 -47.1 17.5 4.5 -1.3 191 193 A R H < S+ 0 0 123 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.853 109.0 50.0 -59.8 -40.2 14.1 2.8 -1.4 192 194 A R H >< S+ 0 0 108 -4,-1.3 3,-0.7 2,-0.2 -1,-0.2 0.800 110.0 48.9 -73.9 -31.0 15.3 -0.3 0.4 193 195 A L H ><>S+ 0 0 1 -4,-1.5 5,-1.8 1,-0.2 3,-1.2 0.774 105.9 59.0 -74.6 -27.4 16.9 1.7 3.2 194 196 A N T 3<5S+ 0 0 83 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.447 92.9 70.1 -73.3 -2.9 13.6 3.5 3.3 195 197 A E T < 5S+ 0 0 130 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.411 103.4 39.9 -92.6 -2.4 12.1 0.0 4.0 196 198 A L T < 5S- 0 0 55 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.1 0.430 124.2 -96.2-114.9 -7.7 13.7 0.1 7.5 197 199 A G T 5S+ 0 0 42 -4,-0.4 2,-0.6 1,-0.2 -3,-0.2 0.870 76.6 143.6 81.8 45.4 13.1 3.7 8.4 198 200 A I < + 0 0 1 -5,-1.8 -1,-0.2 -8,-0.2 -2,-0.1 -0.907 2.6 140.2-114.8 96.7 16.5 4.9 7.3 199 201 A Q + 0 0 115 -2,-0.6 -20,-3.4 -3,-0.1 -19,-0.5 0.758 68.0 37.4 -98.7 -40.5 16.0 8.4 5.8 200 202 A K B > S-M 178 0C 81 -22,-0.3 3,-0.5 -3,-0.2 4,-0.4 -0.653 85.2-112.0-112.9 166.9 19.1 10.0 7.2 201 203 A L G > S+ 0 0 1 -24,-2.4 3,-1.5 1,-0.2 4,-0.4 0.923 109.6 63.3 -65.6 -48.4 22.6 8.8 7.9 202 204 A R G > S+ 0 0 126 -28,-0.5 3,-1.2 -25,-0.3 4,-0.5 0.768 89.2 73.1 -43.5 -36.5 22.4 8.9 11.7 203 205 A D G X> S+ 0 0 45 -3,-0.5 3,-1.4 1,-0.3 4,-0.8 0.816 83.4 64.7 -55.2 -40.0 19.7 6.2 11.7 204 206 A I G X4 S+ 0 0 12 -3,-1.5 3,-0.8 -4,-0.4 -1,-0.3 0.821 89.4 67.6 -56.9 -34.5 22.0 3.4 10.8 205 207 A L G <4 S+ 0 0 87 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.845 104.8 43.6 -54.5 -36.1 23.9 3.7 14.1 206 208 A S G <4 S+ 0 0 83 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.668 100.8 89.9 -83.8 -18.6 20.7 2.5 15.9 207 209 A K S << S- 0 0 75 -4,-0.8 2,-0.4 -3,-0.8 -11,-0.0 -0.384 88.9 -96.1 -83.1 157.1 20.0 -0.3 13.4 208 210 A N >> - 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