==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 23-MAY-12 4FBT . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR K.KIROUAC,H.LING . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 72.7 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 17.6 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 . 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 . 17 5.0 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 . 120 35.2 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 0 1 0 1 1 1 2 2 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 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 1 A M 0 0 92 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 143.1 16.3 -15.8 22.1 2 2 A I - 0 0 22 113,-0.1 109,-2.0 2,-0.0 110,-0.5 -0.985 360.0-169.2-121.6 119.4 13.6 -13.4 23.1 3 3 A V E -AB 110 145A 0 142,-3.3 142,-2.1 -2,-0.5 2,-0.5 -0.917 9.0-164.6-115.3 131.8 13.3 -10.2 21.1 4 4 A L E -AB 109 144A 0 105,-2.7 105,-2.7 -2,-0.4 2,-0.4 -0.976 9.8-166.1-116.1 123.6 11.3 -7.2 21.9 5 5 A F E -AB 108 143A 0 138,-3.4 138,-2.5 -2,-0.5 2,-0.4 -0.879 3.0-161.1-114.0 137.6 10.7 -4.7 19.1 6 6 A V E +AB 107 142A 0 101,-2.8 101,-2.0 -2,-0.4 2,-0.4 -0.979 8.7 180.0-122.2 129.4 9.3 -1.2 19.5 7 7 A D E -AB 106 141A 4 134,-2.4 134,-2.8 -2,-0.4 99,-0.2 -0.987 26.9-129.5-131.8 118.8 7.8 0.9 16.7 8 8 A F E > - B 0 140A 2 97,-2.7 3,-0.7 -2,-0.4 2,-0.3 -0.451 31.1-109.5 -75.2 140.7 6.6 4.4 17.5 9 9 A D T 3 S- 0 0 3 130,-2.2 5,-0.2 1,-0.3 130,-0.2 -0.534 81.2 -29.4 -83.6 131.6 3.0 5.1 16.2 10 10 A Y T 3> S- 0 0 40 -2,-0.3 4,-2.4 3,-0.1 3,-0.3 0.874 87.5-167.7 30.4 60.6 2.5 7.5 13.3 11 11 A F H <> + 0 0 7 -3,-0.7 4,-2.4 1,-0.2 5,-0.2 0.809 65.7 42.0 -57.1 -58.5 5.6 9.1 14.6 12 12 A Y H > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.905 120.4 43.4 -54.7 -46.8 6.1 12.5 13.0 13 13 A A H > S+ 0 0 0 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.850 111.0 55.3 -69.6 -34.2 2.4 13.4 13.2 14 14 A Q H X S+ 0 0 9 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.892 105.3 52.7 -68.4 -36.5 2.2 12.2 16.8 15 15 A V H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.932 107.5 51.7 -61.6 -42.9 5.1 14.4 17.8 16 16 A E H X S+ 0 0 12 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.855 108.7 51.7 -62.3 -33.6 3.2 17.4 16.2 17 17 A E H < S+ 0 0 5 -4,-1.7 7,-0.3 2,-0.2 6,-0.2 0.883 107.5 51.9 -69.1 -40.1 0.2 16.4 18.3 18 18 A V H < S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.923 112.8 45.3 -58.5 -45.4 2.3 16.3 21.4 19 19 A L H < S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.677 127.3 29.4 -74.9 -20.8 3.6 19.8 20.7 20 20 A N >< - 0 0 68 -4,-1.2 3,-2.7 -5,-0.2 4,-0.4 -0.695 63.5-178.4-139.2 86.7 0.1 21.1 19.8 21 21 A P G > S+ 0 0 84 0, 0.0 3,-0.9 0, 0.0 -4,-0.1 0.683 79.7 75.6 -61.1 -15.2 -2.6 19.2 21.8 22 22 A S G 3 S+ 0 0 76 1,-0.2 -5,-0.1 -3,-0.1 -3,-0.0 0.706 88.0 61.0 -64.9 -21.0 -5.1 21.4 19.8 23 23 A L G X S+ 0 0 9 -3,-2.7 3,-2.4 -6,-0.2 -1,-0.2 0.708 75.9 112.5 -79.4 -23.2 -4.5 19.1 16.8 24 24 A K T < S+ 0 0 109 -3,-0.9 -10,-0.0 -4,-0.4 0, 0.0 -0.244 80.9 22.8 -59.7 138.2 -5.7 15.9 18.5 25 25 A G T 3 S+ 0 0 65 1,-0.4 -1,-0.3 3,-0.0 -2,-0.1 0.208 106.7 101.0 89.2 -15.7 -8.8 14.6 16.9 26 26 A K S < S- 0 0 92 -3,-2.4 2,-0.4 1,-0.0 -1,-0.4 -0.698 86.6 -99.1 -96.0 153.1 -8.0 16.5 13.7 27 27 A P - 0 0 19 0, 0.0 45,-2.8 0, 0.0 2,-0.4 -0.585 44.2-166.6 -68.0 126.1 -6.5 15.0 10.5 28 28 A V E -e 72 0B 0 -2,-0.4 19,-2.3 43,-0.2 2,-0.5 -0.974 10.7-175.3-123.5 130.5 -2.8 15.8 10.6 29 29 A V E -eF 73 46B 0 43,-3.0 45,-3.1 -2,-0.4 2,-0.5 -0.984 11.2-155.1-127.5 118.6 -0.5 15.4 7.6 30 30 A V E -eF 74 45B 0 15,-3.2 14,-2.8 -2,-0.5 15,-1.5 -0.841 23.3-163.5 -95.8 132.4 3.2 16.0 7.9 31 31 A C E -eF 75 43B 0 43,-3.8 45,-2.5 -2,-0.5 2,-0.8 -0.857 29.5-139.4-126.8 148.2 4.8 16.9 4.6 32 32 A V E - F 0 42B 69 10,-3.4 10,-1.3 -2,-0.3 2,-0.5 -0.869 28.5-157.7 -98.1 97.1 8.1 17.2 2.8 33 33 A F E - F 0 41B 91 -2,-0.8 8,-0.3 8,-0.2 5,-0.0 -0.668 9.1-171.0 -78.2 121.9 7.8 20.5 0.8 34 34 A S - 0 0 64 6,-1.1 -1,-0.2 -2,-0.5 7,-0.1 0.868 15.0-151.0 -85.0 -39.8 10.3 20.4 -2.1 35 35 A G + 0 0 45 2,-0.5 3,-0.1 5,-0.3 -2,-0.1 0.746 61.0 120.3 73.3 22.8 10.0 24.0 -3.3 36 36 A R S S- 0 0 67 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.691 96.3 -24.0 -78.5 -23.8 10.8 23.4 -6.9 37 37 A F S > S- 0 0 142 0, 0.0 3,-1.2 0, 0.0 -2,-0.5 -0.913 103.9 -34.4-166.2-171.6 7.3 24.8 -7.4 38 38 A E T 3 S- 0 0 149 -2,-0.3 3,-0.1 1,-0.3 24,-0.1 -0.296 117.5 -15.4 -66.9 138.3 4.0 25.4 -5.5 39 39 A D T 3 S+ 0 0 37 1,-0.1 23,-0.5 22,-0.1 -1,-0.3 0.688 93.8 155.9 41.7 25.7 2.8 22.7 -3.0 40 40 A S < + 0 0 4 -3,-1.2 -6,-1.1 21,-0.1 -5,-0.3 -0.390 27.1 63.0 -73.2 158.7 5.3 20.3 -4.5 41 41 A G E S-F 33 0B 24 -8,-0.3 20,-2.0 -7,-0.1 21,-0.4 -0.649 73.2 -83.6 116.7-176.2 6.6 17.5 -2.3 42 42 A A E -FG 32 60B 35 -10,-1.3 -10,-3.4 18,-0.3 2,-0.4 -0.834 34.2 -93.8-132.9 163.0 5.1 14.4 -0.6 43 43 A V E -F 31 0B 5 16,-2.6 15,-2.8 -2,-0.3 -12,-0.3 -0.657 27.2-172.4 -75.1 124.5 3.4 13.2 2.5 44 44 A A E - 0 0 27 -14,-2.8 2,-0.3 -2,-0.4 -13,-0.2 0.899 68.9 -29.0 -81.9 -50.2 5.9 12.0 5.1 45 45 A T E -F 30 0B 19 -15,-1.5 -15,-3.2 12,-0.1 -1,-0.4 -0.985 53.2-152.8-159.5 162.1 3.1 10.6 7.4 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.971 27.3-112.7-132.1 150.9 -0.5 11.2 8.4 47 47 A N > - 0 0 0 -19,-2.3 4,-1.8 -2,-0.3 5,-0.2 -0.163 43.0 -94.5 -72.6 178.2 -2.2 10.4 11.7 48 48 A Y H > S+ 0 0 69 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.769 123.8 57.8 -74.3 -22.6 -4.9 7.7 11.7 49 49 A E H > S+ 0 0 40 -23,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.933 108.4 45.9 -66.4 -47.5 -7.7 10.2 11.2 50 50 A A H 4>S+ 0 0 0 -24,-0.2 5,-2.1 1,-0.2 3,-0.5 0.851 110.8 53.1 -63.5 -36.7 -6.2 11.4 8.0 51 51 A R H ><5S+ 0 0 90 -4,-1.8 3,-1.8 1,-0.2 -1,-0.2 0.852 99.5 63.2 -67.5 -34.3 -5.6 7.9 6.8 52 52 A K H 3<5S+ 0 0 153 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.841 106.2 46.4 -55.1 -33.3 -9.2 7.1 7.4 53 53 A F T 3<5S- 0 0 125 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.044 131.5 -86.6-106.0 25.3 -10.0 9.7 4.7 54 54 A G T < 5S+ 0 0 45 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.416 83.8 126.3 98.8 0.8 -7.5 8.5 2.2 55 55 A V < + 0 0 0 -5,-2.1 2,-0.3 -8,-0.1 -1,-0.2 -0.821 28.4 158.6 -98.8 126.5 -4.2 10.2 3.0 56 56 A K > - 0 0 137 -2,-0.5 3,-1.5 -11,-0.1 -13,-0.3 -0.932 45.7 -69.3-139.5 166.1 -1.1 8.1 3.4 57 57 A A T 3 S+ 0 0 56 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.177 111.4 24.8 -49.9 138.5 2.7 8.3 3.3 58 58 A G T 3 S+ 0 0 58 -15,-2.8 -1,-0.2 1,-0.3 -14,-0.1 0.036 85.1 121.0 98.9 -26.0 4.2 8.8 -0.1 59 59 A I S < S- 0 0 36 -3,-1.5 -16,-2.6 1,-0.1 -1,-0.3 -0.410 73.2 -96.7 -73.0 148.5 1.4 10.5 -2.0 60 60 A P B > -G 42 0B 65 0, 0.0 4,-2.4 0, 0.0 -18,-0.3 -0.374 24.2-128.3 -61.2 140.8 2.0 13.9 -3.4 61 61 A I H > S+ 0 0 0 -20,-2.0 4,-2.7 1,-0.2 5,-0.3 0.924 111.5 61.7 -54.7 -44.0 0.8 16.8 -1.2 62 62 A V H > S+ 0 0 54 -23,-0.5 4,-1.8 -21,-0.4 -1,-0.2 0.930 109.2 40.0 -45.1 -54.1 -1.0 18.0 -4.3 63 63 A E H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.852 110.0 59.8 -65.8 -37.3 -3.0 14.8 -4.3 64 64 A A H X S+ 0 0 0 -4,-2.4 4,-3.7 2,-0.2 -2,-0.2 0.939 107.6 45.1 -57.3 -48.6 -3.4 14.7 -0.6 65 65 A K H < S+ 0 0 66 -4,-2.7 -1,-0.2 2,-0.3 -2,-0.2 0.940 111.1 51.3 -64.1 -47.7 -5.2 18.1 -0.5 66 66 A K H < S+ 0 0 143 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.897 118.8 41.9 -49.9 -39.7 -7.4 17.2 -3.5 67 67 A I H < S+ 0 0 73 -4,-2.3 -2,-0.3 1,-0.2 -1,-0.2 0.913 137.4 8.6 -75.8 -43.9 -8.2 14.1 -1.4 68 68 A L >< + 0 0 10 -4,-3.7 3,-1.4 -5,-0.1 -1,-0.2 -0.683 63.2 164.9-143.7 76.2 -8.5 15.7 2.1 69 69 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.851 75.5 67.4 -66.4 -29.8 -8.5 19.5 1.8 70 70 A N T 3 S+ 0 0 126 -5,-0.1 -5,-0.1 -3,-0.1 -2,-0.0 0.503 80.4 101.5 -65.6 -13.1 -9.8 19.6 5.3 71 71 A A S < S- 0 0 12 -3,-1.4 2,-0.7 -7,-0.1 -43,-0.2 -0.239 79.0-109.2 -75.9 165.1 -6.6 18.2 7.0 72 72 A V E -e 28 0B 41 -45,-2.8 -43,-3.0 -49,-0.1 2,-0.6 -0.869 34.7-155.6 -92.5 115.4 -3.9 20.2 8.9 73 73 A Y E -e 29 0B 37 -2,-0.7 -43,-0.2 -45,-0.2 -45,-0.0 -0.826 14.3-175.9 -99.7 122.1 -0.8 20.2 6.6 74 74 A L E -e 30 0B 36 -45,-3.1 -43,-3.8 -2,-0.6 2,-0.2 -0.909 26.4-116.2-123.1 143.5 2.5 20.6 8.4 75 75 A P E -e 31 0B 70 0, 0.0 2,-0.2 0, 0.0 -43,-0.2 -0.496 43.8 -99.6 -71.7 142.6 6.1 20.9 7.2 76 76 A M - 0 0 55 -45,-2.5 2,-0.4 -2,-0.2 3,-0.1 -0.463 32.5-169.5 -65.0 128.4 8.4 18.2 8.3 77 77 A R >> + 0 0 92 -2,-0.2 4,-1.6 1,-0.1 3,-1.4 -0.585 14.7 169.0-113.8 68.6 10.5 19.2 11.4 78 78 A K H 3> S+ 0 0 99 -2,-0.4 4,-2.4 1,-0.3 -1,-0.1 0.691 71.5 59.7 -59.2 -24.1 12.9 16.3 11.3 79 79 A E H 3> S+ 0 0 120 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.873 106.8 47.0 -72.4 -38.4 15.2 17.9 13.9 80 80 A V H <> S+ 0 0 30 -3,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.883 113.0 49.1 -68.0 -39.9 12.4 18.1 16.4 81 81 A Y H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.909 107.1 55.6 -68.1 -42.2 11.5 14.4 15.7 82 82 A Q H X S+ 0 0 80 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.840 105.1 53.1 -58.3 -36.0 15.1 13.3 16.1 83 83 A Q H X S+ 0 0 116 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.906 110.9 45.0 -68.0 -43.6 15.3 14.8 19.5 84 84 A V H X S+ 0 0 13 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.936 114.4 51.2 -61.8 -46.1 12.2 13.0 20.7 85 85 A S H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.926 107.9 50.8 -56.8 -50.7 13.5 9.8 19.1 86 86 A S H X S+ 0 0 53 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.898 110.3 49.7 -58.3 -42.0 16.9 10.1 20.8 87 87 A R H X S+ 0 0 115 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.887 111.9 48.2 -64.8 -37.9 15.3 10.5 24.2 88 88 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.934 108.9 53.1 -68.2 -44.4 13.1 7.5 23.7 89 89 A M H X S+ 0 0 5 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.879 107.1 52.8 -57.5 -38.9 16.0 5.3 22.5 90 90 A N H X S+ 0 0 91 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.870 106.3 53.7 -65.9 -33.5 17.9 6.3 25.7 91 91 A L H >< S+ 0 0 31 -4,-1.5 3,-1.3 1,-0.2 4,-0.2 0.939 107.9 50.5 -61.2 -45.1 14.8 5.1 27.6 92 92 A L H >X S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.3 4,-0.7 0.845 96.7 67.7 -63.7 -35.2 15.0 1.8 25.9 93 93 A R H 3< S+ 0 0 101 -4,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.751 90.2 67.1 -57.9 -21.0 18.7 1.3 26.6 94 94 A E T << S+ 0 0 155 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.674 97.7 51.7 -72.0 -17.3 17.6 1.0 30.3 95 95 A Y T <4 S+ 0 0 27 -3,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.638 124.2 3.7 -99.7 -18.0 15.9 -2.3 29.6 96 96 A S < - 0 0 8 -4,-0.7 -1,-0.3 -3,-0.3 15,-0.1 -0.888 47.9-144.1-166.8 140.8 18.7 -4.0 27.8 97 97 A E S S+ 0 0 184 -2,-0.3 2,-1.2 1,-0.2 -1,-0.1 0.732 93.9 77.1 -66.6 -27.4 22.4 -3.5 26.9 98 98 A K + 0 0 103 12,-0.4 12,-2.5 -3,-0.1 2,-0.3 -0.732 67.6 150.9 -94.8 93.3 21.7 -5.3 23.7 99 99 A I E -C 109 0A 18 -2,-1.2 140,-0.6 10,-0.2 2,-0.4 -0.935 30.7-164.1-128.8 143.4 19.9 -2.8 21.5 100 100 A E E -C 108 0A 23 8,-2.6 8,-2.4 -2,-0.3 2,-0.7 -0.945 10.7-152.9-130.6 111.3 19.6 -2.2 17.8 101 101 A I E +C 107 0A 55 -2,-0.4 139,-0.3 6,-0.2 6,-0.2 -0.739 16.7 177.3 -81.4 115.6 18.3 1.1 16.5 102 102 A A E - 0 0 49 4,-1.9 2,-0.3 -2,-0.7 5,-0.2 0.778 60.7 -27.8 -92.4 -28.9 16.8 0.3 13.2 103 103 A S E > S-C 106 0A 39 3,-1.7 3,-1.0 1,-0.0 -1,-0.3 -0.953 82.0 -65.6-169.0-176.4 15.5 3.8 12.3 104 104 A I T 3 S+ 0 0 31 -2,-0.3 3,-0.0 1,-0.2 -3,-0.0 0.751 133.7 22.0 -59.5 -22.1 14.2 7.0 13.8 105 105 A D T 3 S+ 0 0 31 1,-0.1 -97,-2.7 -97,-0.0 2,-0.4 0.230 113.0 71.0-132.2 20.4 11.2 5.2 15.2 106 106 A E E < +AC 7 103A 40 -3,-1.0 -4,-1.9 -99,-0.2 -3,-1.7 -0.999 46.0 164.7-138.9 136.7 12.1 1.5 15.5 107 107 A A E -AC 6 101A 0 -101,-2.0 -101,-2.8 -2,-0.4 2,-0.4 -0.985 21.5-145.8-150.3 147.0 14.4 -0.5 17.8 108 108 A Y E -AC 5 100A 22 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.4 -0.882 11.5-163.6-106.2 140.9 15.0 -4.1 18.8 109 109 A L E -AC 4 99A 0 -105,-2.7 -105,-2.7 -2,-0.4 2,-0.9 -0.985 16.5-140.7-120.9 134.4 16.1 -5.2 22.3 110 110 A D E +A 3 0A 16 -12,-2.5 -12,-0.4 -2,-0.4 3,-0.3 -0.851 29.1 168.2 -89.5 105.3 17.5 -8.6 23.0 111 111 A I >> + 0 0 0 -109,-2.0 3,-2.2 -2,-0.9 4,-1.5 0.114 34.8 120.2-106.5 22.2 15.8 -9.4 26.3 112 112 A S T 34 S+ 0 0 32 -110,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.844 84.8 36.8 -51.2 -39.4 16.8 -13.1 26.4 113 113 A D T 34 S+ 0 0 142 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.082 112.4 61.4-106.4 23.5 18.7 -12.5 29.7 114 114 A K T <4 S+ 0 0 128 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.585 110.6 22.8-118.8 -24.8 16.2 -10.0 31.1 115 115 A V < - 0 0 18 -4,-1.5 -1,-0.3 -3,-0.1 3,-0.1 -0.940 65.4-136.2-142.4 160.4 13.1 -12.2 31.3 116 116 A R S S- 0 0 193 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.739 77.5 -8.3 -96.9 -21.1 12.4 -15.9 31.4 117 117 A D S > S- 0 0 63 -115,-0.0 4,-1.8 1,-0.0 -1,-0.1 -0.885 81.5 -80.0-158.4-173.7 9.6 -16.3 29.0 118 118 A Y H > S+ 0 0 46 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.661 120.8 62.2 -78.3 -16.3 7.0 -14.5 26.8 119 119 A R H > S+ 0 0 190 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 109.8 39.9 -68.9 -46.0 4.7 -13.8 29.8 120 120 A E H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.840 114.1 55.2 -70.1 -33.7 7.4 -11.8 31.4 121 121 A A H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.940 107.2 49.3 -61.3 -46.9 8.3 -10.3 28.0 122 122 A Y H X S+ 0 0 95 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.943 111.2 50.7 -57.4 -45.3 4.7 -9.2 27.5 123 123 A N H X S+ 0 0 101 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.918 110.2 48.3 -59.9 -45.2 4.9 -7.7 31.0 124 124 A L H X S+ 0 0 23 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.919 107.7 57.0 -61.5 -42.4 8.1 -5.8 30.2 125 125 A G H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.903 106.6 48.3 -54.8 -43.5 6.5 -4.6 26.9 126 126 A L H X S+ 0 0 64 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.894 110.7 51.6 -63.4 -41.0 3.7 -3.0 28.9 127 127 A E H X S+ 0 0 105 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.930 111.1 47.4 -61.0 -45.3 6.2 -1.4 31.2 128 128 A I H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.951 112.5 49.0 -61.2 -48.5 8.1 0.0 28.3 129 129 A K H X S+ 0 0 22 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.918 112.7 48.0 -56.8 -47.9 4.9 1.3 26.6 130 130 A N H X S+ 0 0 85 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.884 111.6 49.9 -60.5 -42.4 3.7 3.0 29.9 131 131 A K H X S+ 0 0 65 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.923 111.1 47.4 -66.4 -47.2 7.1 4.6 30.5 132 132 A I H X>S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 6,-0.9 0.924 114.2 48.1 -59.8 -44.1 7.4 6.1 27.0 133 133 A L H X5S+ 0 0 73 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.929 114.0 47.4 -60.4 -45.6 3.8 7.4 27.3 134 134 A E H <5S+ 0 0 134 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.919 122.2 33.3 -62.3 -45.2 4.5 8.9 30.7 135 135 A K H <5S+ 0 0 125 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.836 138.8 14.2 -84.4 -35.9 7.8 10.5 29.7 136 136 A E H <5S- 0 0 30 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.484 88.1-127.9-120.3 -5.1 7.2 11.5 26.1 137 137 A K << + 0 0 125 -4,-1.4 2,-0.5 -5,-0.7 -4,-0.2 0.800 65.3 135.8 57.9 31.1 3.4 11.2 25.7 138 138 A I - 0 0 1 -6,-0.9 2,-0.3 -9,-0.1 -1,-0.2 -0.935 49.0-142.3-110.3 126.2 4.1 9.0 22.6 139 139 A T - 0 0 26 -2,-0.5 -130,-2.2 -130,-0.2 2,-0.3 -0.652 24.4-176.4 -83.1 146.1 2.2 5.7 22.0 140 140 A V E -B 8 0A 1 -2,-0.3 2,-0.5 -132,-0.2 -132,-0.2 -0.901 23.6-123.7-135.8 164.5 4.2 2.8 20.6 141 141 A T E -B 7 0A 0 -134,-2.8 -134,-2.4 -2,-0.3 2,-0.5 -0.949 21.8-153.6-112.9 135.3 3.5 -0.7 19.4 142 142 A V E -Bd 6 163A 0 20,-2.2 22,-1.7 -2,-0.5 2,-0.4 -0.914 8.6-171.6-109.7 132.2 5.5 -3.6 20.9 143 143 A G E -Bd 5 164A 0 -138,-2.5 -138,-3.4 -2,-0.5 2,-0.4 -0.983 6.1-170.4-120.3 135.0 6.2 -6.9 19.0 144 144 A I E +Bd 4 165A 0 20,-2.5 22,-2.6 -2,-0.4 2,-0.3 -0.985 22.5 122.5-129.6 130.5 7.7 -9.9 20.8 145 145 A S E -B 3 0A 0 -142,-2.1 -142,-3.3 -2,-0.4 22,-0.1 -0.887 68.5 -77.2-162.0-165.6 9.0 -13.1 19.4 146 146 A K S S+ 0 0 49 20,-0.4 2,-0.3 -2,-0.3 -142,-0.1 0.533 107.4 17.9 -87.2 -10.1 12.0 -15.4 19.1 147 147 A N S > S- 0 0 1 -144,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.967 84.7 -97.8-151.2 172.7 13.8 -13.4 16.4 148 148 A K H > S+ 0 0 24 87,-0.3 4,-2.0 -2,-0.3 5,-0.2 0.853 115.7 54.2 -59.2 -40.5 13.9 -9.9 14.9 149 149 A V H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.943 113.0 40.6 -65.4 -47.2 11.8 -10.7 11.9 150 150 A F H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.806 110.4 58.3 -75.5 -25.5 8.8 -12.1 13.8 151 151 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.904 110.6 44.2 -64.3 -42.3 9.1 -9.4 16.5 152 152 A K H X S+ 0 0 33 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.904 110.8 53.0 -68.3 -42.0 8.6 -6.9 13.7 153 153 A I H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.934 107.6 53.7 -57.8 -42.1 5.8 -8.9 12.1 154 154 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.903 109.6 46.5 -58.1 -44.6 4.1 -8.9 15.5 155 155 A A H >X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 3,-0.5 0.923 108.9 55.7 -63.9 -42.9 4.3 -5.1 15.7 156 156 A D H 3< S+ 0 0 66 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.901 110.6 45.9 -57.1 -40.0 3.0 -4.9 12.2 157 157 A M H 3< S+ 0 0 81 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.769 117.0 42.8 -71.7 -27.3 -0.1 -6.9 13.2 158 158 A A H << S+ 0 0 24 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.574 88.4 158.5-101.0 -12.4 -0.7 -5.0 16.5 159 159 A K < + 0 0 78 -4,-1.6 2,-0.1 -3,-0.2 4,-0.0 -0.323 37.9 44.1 -73.4 148.4 -0.3 -1.4 15.5 160 160 A P S S- 0 0 52 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.566 130.8 -18.8-101.1 172.7 -1.1 1.2 16.5 161 161 A N S S+ 0 0 97 1,-0.2 -20,-0.2 -2,-0.1 2,-0.2 0.878 107.1 129.8 45.7 47.1 -0.8 1.4 20.3 162 162 A G - 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