==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAR-09 3GJW . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.H.PARK . 350 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 66.9 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 . 57 16.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 28 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 0 2 0 1 1 0 2 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 4 0 1 0 0 1 2 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 . 1 0 1 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 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 K 0 0 176 0, 0.0 125,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.3 20.3 47.2 31.5 2 2 A S - 0 0 15 1,-0.1 7,-0.0 3,-0.0 127,-0.0 0.005 360.0-158.2 -42.6 139.3 23.8 48.4 30.9 3 3 A K + 0 0 183 2,-0.0 -1,-0.1 3,-0.0 3,-0.1 0.083 59.9 109.9-105.4 16.8 25.7 50.3 33.6 4 4 A L S S- 0 0 31 1,-0.1 137,-0.1 2,-0.1 126,-0.0 -0.617 80.4 -96.0 -90.2 155.8 28.1 51.8 31.1 5 5 A P >> - 0 0 63 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.327 36.9-113.6 -63.9 151.8 28.1 55.5 30.3 6 6 A K H 3> S+ 0 0 136 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.925 115.4 55.0 -56.4 -49.5 26.1 56.3 27.1 7 7 A P H 3> S+ 0 0 27 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.795 109.4 50.5 -55.5 -28.1 29.1 57.5 25.1 8 8 A V H <> S+ 0 0 0 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.895 110.6 46.3 -77.1 -41.5 30.7 54.1 25.9 9 9 A Q H X S+ 0 0 27 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.851 112.2 53.0 -65.5 -38.2 27.7 52.1 24.8 10 10 A D H X S+ 0 0 46 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.826 107.5 51.1 -67.2 -33.1 27.6 54.3 21.6 11 11 A L H X S+ 0 0 0 -4,-1.1 4,-2.4 -5,-0.2 -2,-0.2 0.879 106.7 54.5 -69.7 -41.9 31.2 53.5 20.9 12 12 A I H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.908 109.4 46.6 -59.6 -44.3 30.5 49.8 21.3 13 13 A K H < S+ 0 0 95 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.959 109.5 56.2 -63.7 -47.2 27.8 49.9 18.7 14 14 A M H >< S+ 0 0 40 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.904 111.5 41.6 -47.9 -54.4 30.0 51.9 16.4 15 15 A I H 3< S+ 0 0 2 -4,-2.4 194,-0.4 1,-0.2 -1,-0.2 0.748 116.3 47.9 -74.0 -20.3 32.8 49.3 16.4 16 16 A F T 3< S+ 0 0 10 -4,-1.6 2,-0.6 -3,-0.4 -1,-0.2 0.028 77.6 138.9-106.8 26.6 30.5 46.3 16.1 17 17 A D <> - 0 0 72 -3,-1.1 4,-0.9 1,-0.2 -3,-0.1 -0.621 34.9-168.4 -74.9 114.1 28.4 47.8 13.2 18 18 A V H >> S+ 0 0 44 -2,-0.6 4,-2.1 1,-0.2 3,-0.9 0.937 86.5 57.2 -67.7 -47.8 27.7 45.0 10.7 19 19 A E H 3> S+ 0 0 109 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.867 103.6 53.9 -48.2 -46.0 26.4 47.4 8.1 20 20 A S H 3> S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.826 105.9 53.9 -62.5 -31.2 29.8 49.3 8.2 21 21 A M H <>S+ 0 0 1 -4,-1.1 5,-2.2 -3,-0.3 3,-1.4 0.915 112.7 48.0 -84.3 -51.0 33.6 45.6 1.5 26 26 A V H ><5S+ 0 0 74 -4,-3.0 3,-2.7 1,-0.3 -2,-0.2 0.902 107.1 61.2 -56.7 -36.2 31.2 46.6 -1.3 27 27 A E T 3<5S+ 0 0 119 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.787 102.4 50.1 -63.4 -20.8 33.3 49.7 -1.3 28 28 A Y T < 5S- 0 0 50 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.422 122.8-113.0 -92.5 0.8 36.1 47.5 -2.3 29 29 A E T < 5 + 0 0 100 -3,-2.7 53,-2.8 1,-0.2 -3,-0.2 0.684 59.5 163.6 75.1 19.9 33.9 46.0 -5.0 30 30 A I B < -A 81 0A 6 -5,-2.2 2,-0.7 51,-0.2 51,-0.3 -0.511 45.5-115.8 -72.1 134.9 33.8 42.6 -3.1 31 31 A D > - 0 0 23 49,-1.8 4,-2.1 -2,-0.2 -1,-0.1 -0.628 28.1-168.8 -74.9 111.6 30.9 40.4 -4.3 32 32 A L T 4 S+ 0 0 44 -2,-0.7 -1,-0.2 2,-0.2 5,-0.1 0.709 79.6 59.7 -74.1 -25.1 28.7 40.1 -1.2 33 33 A Q T 4 S+ 0 0 183 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.944 118.0 27.7 -69.2 -50.7 26.6 37.2 -2.7 34 34 A K T 4 S+ 0 0 124 1,-0.2 -2,-0.2 46,-0.0 -1,-0.1 0.867 133.0 36.9 -80.1 -39.3 29.5 34.8 -3.2 35 35 A M S < S+ 0 0 18 -4,-2.1 -1,-0.2 45,-0.1 -2,-0.1 -0.656 77.4 170.8-116.9 79.4 31.6 36.2 -0.4 36 36 A P > - 0 0 52 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.313 51.0 -99.7 -78.7 169.9 29.4 37.2 2.5 37 37 A L G > S+ 0 0 15 1,-0.3 3,-2.0 2,-0.2 77,-0.1 0.907 122.6 59.2 -54.1 -45.2 30.8 38.2 5.9 38 38 A G G 3 S+ 0 0 61 1,-0.3 -1,-0.3 76,-0.0 -3,-0.0 0.698 101.3 54.7 -58.9 -23.6 30.0 34.8 7.3 39 39 A K G < S+ 0 0 135 -3,-1.4 2,-0.3 2,-0.0 -1,-0.3 0.434 80.6 118.9 -92.0 3.4 32.3 33.1 4.6 40 40 A L < + 0 0 19 -3,-2.0 2,-0.4 -4,-0.3 3,-0.1 -0.531 38.7 174.4 -72.0 126.1 35.3 35.3 5.6 41 41 A S >> - 0 0 41 -2,-0.3 4,-1.2 1,-0.1 3,-0.5 -0.995 36.1-139.4-135.0 140.8 38.2 33.1 6.9 42 42 A K H 3> S+ 0 0 74 -2,-0.4 4,-2.6 1,-0.2 3,-0.3 0.877 104.4 61.4 -63.9 -38.3 41.8 34.1 7.8 43 43 A R H 3> S+ 0 0 143 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.829 105.5 48.0 -57.8 -32.5 43.2 31.1 6.1 44 44 A Q H <> S+ 0 0 26 -3,-0.5 4,-1.0 2,-0.2 -1,-0.3 0.791 111.4 50.0 -78.2 -28.2 41.7 32.4 2.9 45 45 A I H X S+ 0 0 0 -4,-1.2 4,-1.9 -3,-0.3 -2,-0.2 0.802 107.9 53.3 -78.8 -31.3 43.2 35.9 3.5 46 46 A Q H X S+ 0 0 76 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.872 107.5 51.7 -68.2 -39.1 46.6 34.4 4.3 47 47 A A H X S+ 0 0 36 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.2 0.811 109.3 50.1 -66.6 -33.5 46.5 32.6 0.9 48 48 A A H X S+ 0 0 0 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.871 106.8 54.0 -74.6 -35.3 45.7 35.9 -0.8 49 49 A Y H X S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.926 110.3 49.2 -58.2 -48.4 48.6 37.6 0.9 50 50 A S H X S+ 0 0 38 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.852 110.4 47.8 -61.1 -41.3 50.8 34.9 -0.5 51 51 A I H X S+ 0 0 3 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.868 111.7 51.9 -68.2 -36.2 49.5 35.2 -4.0 52 52 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.894 109.3 48.5 -69.0 -37.7 49.9 39.0 -3.8 53 53 A S H X S+ 0 0 15 -4,-2.3 4,-1.6 169,-0.3 -1,-0.2 0.795 109.2 55.2 -66.4 -30.8 53.5 38.5 -2.7 54 54 A E H X S+ 0 0 75 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.842 106.7 50.4 -74.2 -27.7 53.9 36.1 -5.6 55 55 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.872 107.9 52.0 -74.0 -39.5 52.7 38.8 -8.0 56 56 A Q H X S+ 0 0 32 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.903 109.3 50.4 -63.1 -42.4 55.2 41.4 -6.6 57 57 A Q H X S+ 0 0 127 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.857 113.9 44.9 -63.1 -37.4 58.0 38.9 -7.2 58 58 A A H X>S+ 0 0 8 -4,-1.3 4,-2.8 2,-0.2 5,-2.2 0.869 114.5 49.3 -73.8 -39.5 56.8 38.3 -10.8 59 59 A V H <5S+ 0 0 34 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.951 114.9 42.9 -63.4 -49.2 56.4 42.1 -11.3 60 60 A S H <5S+ 0 0 100 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.734 116.9 48.6 -70.0 -22.8 59.9 42.9 -9.9 61 61 A Q H <5S- 0 0 165 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.849 109.4-128.2 -83.9 -36.3 61.2 39.9 -11.9 62 62 A G T <5 - 0 0 55 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.1 0.857 30.8-159.6 88.8 44.5 59.4 41.1 -15.1 63 63 A S < - 0 0 27 -5,-2.2 2,-1.3 1,-0.1 -1,-0.0 -0.033 26.9 -98.3 -54.3 154.8 57.7 37.9 -16.0 64 64 A S > - 0 0 96 1,-0.1 3,-0.8 4,-0.0 -1,-0.1 -0.635 53.8 -98.4 -83.1 90.9 56.4 37.2 -19.5 65 65 A D T > S+ 0 0 137 -2,-1.3 3,-3.9 1,-0.3 4,-0.5 -0.102 112.8 64.4 40.7-111.7 52.7 38.1 -19.4 66 66 A S T 3> S+ 0 0 84 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.498 100.4 57.6 -7.6 -38.9 50.8 34.8 -19.0 67 67 A Q H <> S+ 0 0 95 -3,-0.8 4,-2.2 2,-0.2 -1,-0.3 0.928 108.7 43.3 -71.2 -41.9 52.4 34.4 -15.6 68 68 A I H <> S+ 0 0 16 -3,-3.9 4,-2.1 1,-0.2 23,-0.2 0.944 113.5 51.6 -69.5 -43.3 51.0 37.7 -14.3 69 69 A L H > S+ 0 0 85 -4,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.818 112.3 46.9 -61.4 -33.6 47.6 37.1 -15.8 70 70 A D H X S+ 0 0 85 -4,-1.5 4,-2.6 -5,-0.3 -1,-0.2 0.938 112.3 47.5 -74.8 -46.9 47.4 33.7 -14.2 71 71 A L H X S+ 0 0 27 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.823 113.4 51.3 -61.7 -31.1 48.5 34.9 -10.7 72 72 A S H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.833 109.6 48.2 -74.7 -35.1 46.0 37.7 -11.1 73 73 A N H X S+ 0 0 82 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.859 108.2 55.8 -73.0 -35.4 43.3 35.3 -12.0 74 74 A R H X S+ 0 0 117 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.923 108.8 47.1 -62.3 -44.8 44.2 33.2 -9.0 75 75 A F H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.907 111.3 49.2 -64.0 -44.6 43.8 36.1 -6.6 76 76 A Y H < S+ 0 0 21 -4,-1.8 5,-0.4 1,-0.2 -1,-0.2 0.764 109.3 54.7 -69.3 -19.8 40.5 37.2 -8.0 77 77 A T H < S+ 0 0 115 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.820 112.5 41.6 -79.3 -33.2 39.3 33.6 -7.7 78 78 A L H < S+ 0 0 55 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.800 121.9 41.7 -82.2 -35.1 40.2 33.5 -4.0 79 79 A I S < S- 0 0 4 -4,-2.3 -1,-0.3 -5,-0.2 2,-0.1 -0.793 91.1-142.8-118.6 86.8 38.8 36.9 -3.3 80 80 A P + 0 0 19 0, 0.0 -49,-1.8 0, 0.0 2,-0.3 -0.236 25.2 178.1 -50.5 117.0 35.5 37.3 -5.2 81 81 A H B -A 30 0A 19 -5,-0.4 2,-0.4 -51,-0.3 -51,-0.2 -0.767 23.4-138.8-117.0 169.1 35.0 40.8 -6.7 82 82 A D + 0 0 95 -53,-2.8 -50,-0.0 -2,-0.3 -52,-0.0 -0.851 37.0 147.7-134.8 98.7 32.3 42.2 -8.8 83 83 A F - 0 0 54 -2,-0.4 3,-0.1 1,-0.3 2,-0.1 0.266 48.1-136.7-110.5 8.2 33.3 44.5 -11.7 84 84 A G S S- 0 0 48 1,-0.2 2,-0.8 0, 0.0 -1,-0.3 -0.416 72.3 -5.0 74.1-146.0 30.5 43.6 -14.1 85 85 A M S S+ 0 0 188 -2,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.025 119.7 87.7 -74.1 32.0 31.2 43.1 -17.8 86 86 A K S S- 0 0 165 -2,-0.8 -3,-0.3 -3,-0.1 0, 0.0 -0.995 81.8-119.8-132.7 136.8 34.8 44.1 -17.2 87 87 A K - 0 0 190 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.474 44.4 -95.9 -73.0 147.0 37.7 41.8 -16.1 88 88 A P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.083 56.5 -75.5 -51.9 173.1 39.2 42.9 -12.8 89 89 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 -0.598 48.6-113.7 -81.3 138.2 42.3 45.0 -12.9 90 90 A L - 0 0 73 -2,-0.3 2,-1.7 -3,-0.1 3,-0.2 -0.514 19.6-139.1 -67.6 126.2 45.5 43.3 -13.9 91 91 A L + 0 0 0 -2,-0.3 -1,-0.1 -23,-0.2 -32,-0.1 -0.607 56.9 131.9 -86.5 77.5 47.9 43.3 -10.9 92 92 A N + 0 0 78 -2,-1.7 2,-0.2 -33,-0.0 -1,-0.2 0.337 57.7 44.1-113.0 8.8 51.0 44.0 -12.9 93 93 A N S > S- 0 0 66 -3,-0.2 4,-1.1 1,-0.1 5,-0.2 -0.819 84.6-101.6-142.2 178.3 52.6 46.8 -11.0 94 94 A A H > S+ 0 0 42 -2,-0.2 4,-1.9 2,-0.2 5,-0.2 0.880 117.1 53.2 -71.7 -41.9 53.5 48.0 -7.4 95 95 A D H > S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 108.4 52.5 -58.4 -45.9 50.7 50.4 -7.1 96 96 A S H > S+ 0 0 14 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.791 112.5 40.1 -63.3 -36.5 48.2 47.7 -8.0 97 97 A V H X S+ 0 0 0 -4,-1.1 4,-3.0 2,-0.2 -1,-0.2 0.808 111.7 57.1 -83.7 -33.1 49.2 45.0 -5.5 98 98 A Q H X S+ 0 0 54 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.907 106.4 50.0 -62.2 -42.8 49.7 47.5 -2.7 99 99 A A H X S+ 0 0 40 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.925 114.6 44.4 -62.8 -43.2 46.1 48.6 -3.1 100 100 A K H X S+ 0 0 32 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.875 112.0 53.1 -68.8 -35.5 45.0 45.0 -2.9 101 101 A A H X S+ 0 0 8 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.878 108.7 48.3 -68.0 -38.5 47.3 44.2 0.0 102 102 A E H X S+ 0 0 105 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.836 109.0 56.4 -71.0 -28.8 45.9 47.1 2.0 103 103 A M H X S+ 0 0 3 -4,-1.4 4,-2.9 -5,-0.2 3,-0.3 0.976 104.8 50.3 -65.2 -53.2 42.5 45.8 1.2 104 104 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.833 104.9 59.8 -51.8 -40.3 43.2 42.4 2.6 105 105 A D H X S+ 0 0 54 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.937 111.6 36.9 -56.0 -53.5 44.5 44.0 5.8 106 106 A N H X S+ 0 0 5 -4,-1.5 4,-2.7 -3,-0.3 5,-0.2 0.904 113.0 58.6 -66.2 -41.8 41.1 45.7 6.6 107 107 A L H X S+ 0 0 5 -4,-2.9 4,-1.6 1,-0.3 -1,-0.2 0.813 107.4 49.1 -56.3 -31.1 39.2 42.7 5.3 108 108 A L H X S+ 0 0 42 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.3 0.872 107.9 51.1 -76.2 -40.5 41.1 40.8 7.9 109 109 A D H X S+ 0 0 30 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.864 110.6 51.1 -65.9 -34.0 40.2 43.2 10.7 110 110 A I H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.927 110.4 48.5 -66.8 -41.5 36.6 42.9 9.6 111 111 A E H X S+ 0 0 10 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.863 113.2 46.7 -63.7 -41.0 36.9 39.1 9.8 112 112 A V H X S+ 0 0 16 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.904 114.3 49.8 -65.2 -45.5 38.4 39.3 13.2 113 113 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.950 111.4 45.9 -59.3 -53.3 35.7 41.7 14.1 114 114 A Y H X S+ 0 0 47 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.792 109.0 57.7 -61.5 -31.0 32.8 39.5 12.8 115 115 A S H < S+ 0 0 66 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.917 108.3 45.7 -67.0 -41.6 34.4 36.5 14.6 116 116 A L H >< S+ 0 0 47 -4,-1.9 3,-1.2 -3,-0.2 -2,-0.2 0.954 116.8 45.1 -63.5 -52.0 34.2 38.4 17.9 117 117 A L H 3< S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.949 113.0 46.9 -58.3 -56.8 30.6 39.5 17.3 118 118 A R T 3< S+ 0 0 152 -4,-2.7 2,-0.3 -5,-0.1 -1,-0.3 0.345 109.5 76.5 -70.7 8.7 29.2 36.2 16.0 119 119 A G < + 0 0 32 -3,-1.2 2,-0.3 -5,-0.1 -4,-0.0 -0.857 66.2 46.1-124.0 158.3 30.8 34.5 18.9 120 120 A G S S- 0 0 68 -2,-0.3 2,-0.3 15,-0.0 -3,-0.0 -0.908 92.7 -16.4 121.0-148.1 30.3 34.1 22.7 121 121 A S - 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