==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-SEP-07 2RD6 . 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) . 17277.0 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 . 7 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 15.7 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 . 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 . 36 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 26.3 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 0 2 0 2 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 3 0 3 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 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 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 0 196 0, 0.0 125,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.9 4.9 88.4 31.4 2 2 A S - 0 0 13 1,-0.2 7,-0.0 3,-0.0 124,-0.0 -0.077 360.0-153.7 -46.4 137.1 7.4 85.5 30.9 3 3 A K + 0 0 190 2,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.446 60.9 117.0 -91.0 -3.8 10.0 85.1 33.6 4 4 A L S S- 0 0 33 1,-0.1 126,-0.0 2,-0.1 5,-0.0 -0.281 77.9 -98.9 -63.4 144.6 12.3 83.5 31.0 5 5 A P > - 0 0 63 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.331 33.0-113.0 -65.3 154.7 15.6 85.3 30.3 6 6 A K H > S+ 0 0 158 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.866 114.7 54.5 -54.9 -41.9 15.5 87.5 27.1 7 7 A P H > S+ 0 0 30 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.869 110.3 46.3 -64.2 -33.5 18.0 85.4 25.2 8 8 A V H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.909 109.4 54.6 -72.5 -42.0 15.9 82.2 25.8 9 9 A Q H X S+ 0 0 38 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.883 109.4 48.2 -56.7 -40.5 12.7 84.1 24.7 10 10 A D H X S+ 0 0 63 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.858 108.5 54.0 -68.7 -35.6 14.5 85.0 21.5 11 11 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.910 107.6 52.0 -62.8 -41.9 15.5 81.4 21.0 12 12 A I H X S+ 0 0 1 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.872 108.3 48.9 -62.1 -41.9 11.9 80.4 21.4 13 13 A K H < S+ 0 0 120 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 108.8 57.1 -68.3 -31.9 10.7 82.8 18.7 14 14 A M H >< S+ 0 0 36 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.940 110.6 37.9 -65.3 -51.1 13.4 81.6 16.4 15 15 A I H 3< S+ 0 0 4 -4,-1.9 194,-0.4 1,-0.3 -1,-0.2 0.733 117.6 49.9 -76.7 -23.0 12.5 77.9 16.3 16 16 A F T 3< S+ 0 0 15 -4,-1.4 2,-0.7 -5,-0.2 -1,-0.3 -0.257 78.6 136.1-107.6 43.1 8.7 78.4 16.3 17 17 A D <> - 0 0 60 -3,-0.8 4,-1.2 1,-0.2 3,-0.1 -0.827 37.4-167.6 -96.3 114.4 8.8 80.9 13.5 18 18 A V H > S+ 0 0 50 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.872 88.2 57.2 -67.6 -37.7 6.0 80.3 11.0 19 19 A E H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.858 105.7 53.0 -60.8 -34.6 7.4 82.7 8.4 20 20 A S H > S+ 0 0 25 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.847 108.7 48.6 -69.1 -35.4 10.6 80.6 8.5 21 21 A M H X S+ 0 0 4 -4,-1.2 4,-1.9 2,-0.2 3,-0.3 0.962 112.1 48.2 -67.0 -52.5 8.7 77.4 7.9 22 22 A K H X S+ 0 0 68 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.887 111.4 52.2 -53.9 -42.6 6.9 79.0 4.9 23 23 A K H X S+ 0 0 92 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.842 105.9 51.8 -65.7 -37.2 10.2 80.3 3.6 24 24 A A H X S+ 0 0 5 -4,-1.6 4,-0.6 -3,-0.3 -1,-0.2 0.875 110.5 50.6 -68.4 -34.9 11.9 77.0 3.7 25 25 A M H <>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 3,-0.5 0.890 110.5 46.3 -70.2 -39.4 9.0 75.5 1.7 26 26 A V H ><5S+ 0 0 79 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.796 105.5 61.2 -72.5 -27.6 9.1 78.2 -1.0 27 27 A E H 3<5S+ 0 0 119 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.764 103.0 52.6 -67.2 -22.7 12.8 77.7 -1.2 28 28 A Y T 3<5S- 0 0 39 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.376 119.3-115.5 -91.7 3.0 11.9 74.2 -2.2 29 29 A E T < 5 + 0 0 113 -3,-1.6 53,-2.8 1,-0.3 -3,-0.2 0.599 61.8 158.0 72.3 11.0 9.6 75.4 -4.9 30 30 A I B < -A 81 0A 7 -5,-2.1 2,-0.9 51,-0.3 51,-0.3 -0.447 44.9-124.1 -68.5 140.0 6.7 73.9 -3.0 31 31 A D >> - 0 0 26 49,-3.1 4,-3.2 1,-0.2 3,-0.8 -0.771 20.3-168.7 -91.6 104.6 3.4 75.5 -3.9 32 32 A L T 34 S+ 0 0 43 -2,-0.9 -1,-0.2 1,-0.2 49,-0.0 0.678 83.3 68.9 -63.8 -20.3 1.8 76.7 -0.7 33 33 A Q T 34 S+ 0 0 172 2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.909 116.3 24.2 -64.3 -42.8 -1.5 77.3 -2.5 34 34 A K T <4 S+ 0 0 128 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.1 0.850 135.3 35.5 -88.7 -41.9 -1.9 73.5 -2.9 35 35 A M S < S- 0 0 12 -4,-3.2 -1,-0.2 45,-0.2 -2,-0.2 -0.669 75.8-179.2-118.1 77.3 0.3 72.4 0.1 36 36 A P > - 0 0 54 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.230 42.5-103.9 -68.2 165.6 -0.1 74.9 3.0 37 37 A L G > S+ 0 0 9 1,-0.3 3,-2.1 2,-0.2 77,-0.1 0.933 121.1 54.1 -55.6 -51.2 1.9 74.3 6.2 38 38 A G G 3 S+ 0 0 53 1,-0.3 -1,-0.3 76,-0.0 -3,-0.0 0.584 101.5 62.9 -63.1 -7.4 -1.1 73.0 8.1 39 39 A K G < S+ 0 0 130 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.494 73.3 115.5 -97.4 -2.0 -1.7 70.5 5.3 40 40 A L < - 0 0 19 -3,-2.1 2,-0.3 -4,-0.3 -3,-0.0 -0.467 47.4-166.4 -69.3 135.6 1.6 68.6 5.8 41 41 A S > - 0 0 35 -2,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.912 27.8-139.5-125.3 151.4 1.1 65.0 7.0 42 42 A K H > S+ 0 0 73 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.914 108.2 48.4 -73.8 -43.3 3.5 62.4 8.4 43 43 A R H > S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.851 109.6 54.8 -64.2 -34.2 2.0 59.5 6.4 44 44 A Q H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 109.9 46.3 -64.2 -41.4 2.3 61.8 3.3 45 45 A I H X S+ 0 0 4 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.868 110.8 51.6 -70.9 -36.0 6.0 62.2 4.0 46 46 A Q H X S+ 0 0 86 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.918 109.3 51.3 -65.4 -41.5 6.5 58.5 4.6 47 47 A A H X S+ 0 0 42 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.928 109.0 50.5 -59.5 -46.0 4.8 57.8 1.3 48 48 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.868 107.7 53.7 -60.8 -37.4 7.1 60.3 -0.4 49 49 A Y H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.930 106.6 52.4 -62.0 -46.8 10.1 58.5 1.2 50 50 A S H X S+ 0 0 44 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.899 108.1 50.3 -55.9 -45.2 8.9 55.2 -0.2 51 51 A I H X S+ 0 0 13 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.950 108.8 52.1 -60.4 -46.7 8.7 56.7 -3.7 52 52 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.3 -1,-0.2 0.908 108.3 50.9 -55.6 -44.2 12.2 58.1 -3.4 53 53 A S H X S+ 0 0 20 -4,-2.4 4,-2.2 169,-0.4 -1,-0.3 0.881 108.5 52.7 -61.5 -37.3 13.5 54.6 -2.4 54 54 A E H X S+ 0 0 80 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.866 107.5 51.3 -67.1 -34.6 11.8 53.2 -5.4 55 55 A V H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.951 108.2 51.5 -66.8 -45.9 13.5 55.7 -7.6 56 56 A Q H X S+ 0 0 31 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.925 111.7 47.6 -55.9 -44.4 16.9 54.8 -6.2 57 57 A Q H X S+ 0 0 133 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.937 111.6 49.6 -61.8 -45.1 16.1 51.1 -6.9 58 58 A A H X>S+ 0 0 7 -4,-2.6 5,-3.0 1,-0.2 4,-2.4 0.888 112.1 50.3 -59.6 -39.0 15.0 52.0 -10.4 59 59 A V H <5S+ 0 0 41 -4,-3.1 -1,-0.2 3,-0.2 -2,-0.2 0.880 110.4 47.8 -66.4 -42.1 18.3 53.9 -10.8 60 60 A S H <5S+ 0 0 89 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.842 116.9 42.8 -70.1 -33.5 20.4 51.1 -9.5 61 61 A Q H <5S- 0 0 173 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.854 111.1-122.8 -79.9 -34.5 18.7 48.6 -11.8 62 62 A G T <5 - 0 0 51 -4,-2.4 -3,-0.2 -5,-0.3 -4,-0.1 0.828 30.4-145.4 91.8 42.0 18.7 51.0 -14.7 63 63 A S < - 0 0 30 -5,-3.0 2,-2.8 1,-0.2 3,-0.1 0.001 19.5-112.8 -41.1 138.3 15.0 51.0 -15.3 64 64 A S - 0 0 115 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.343 55.2-105.0 -75.8 60.5 14.0 51.4 -18.9 65 65 A D S S+ 0 0 106 -2,-2.8 2,-4.9 1,-0.2 -1,-0.2 0.109 103.7 77.5 44.6-164.1 12.5 54.8 -18.3 66 66 A S S > S+ 0 0 93 1,-0.3 4,-2.7 -3,-0.1 -1,-0.2 -0.191 97.8 58.0 64.9 -56.6 8.7 55.1 -18.2 67 67 A Q H > S+ 0 0 95 -2,-4.9 4,-2.0 2,-0.2 -1,-0.3 0.851 106.1 48.4 -67.7 -34.9 9.0 53.6 -14.7 68 68 A I H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 23,-0.3 0.876 111.0 51.3 -71.8 -38.7 11.2 56.6 -13.9 69 69 A L H > S+ 0 0 87 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.941 111.6 45.3 -64.1 -48.8 8.6 58.9 -15.4 70 70 A D H X S+ 0 0 81 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.904 113.7 49.4 -63.8 -42.1 5.7 57.5 -13.5 71 71 A L H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.935 112.0 49.4 -61.9 -44.0 7.6 57.5 -10.2 72 72 A S H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.935 111.8 47.3 -60.9 -46.7 8.7 61.1 -10.8 73 73 A N H X S+ 0 0 75 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.861 110.8 53.8 -63.2 -34.9 5.1 62.1 -11.6 74 74 A R H X S+ 0 0 128 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.898 106.8 51.2 -66.0 -40.3 4.0 60.2 -8.4 75 75 A F H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 3,-0.4 0.955 111.9 45.3 -62.7 -48.2 6.5 62.1 -6.3 76 76 A Y H < S+ 0 0 21 -4,-2.1 5,-0.3 1,-0.2 -1,-0.2 0.651 106.6 60.1 -71.3 -15.1 5.3 65.5 -7.5 77 77 A T H < S+ 0 0 115 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.847 114.2 36.9 -78.0 -32.3 1.7 64.6 -7.1 78 78 A L H < S+ 0 0 44 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.1 0.918 124.4 41.2 -82.1 -46.4 2.4 64.0 -3.4 79 79 A I S < S- 0 0 7 -4,-3.3 2,-0.8 -5,-0.2 -1,-0.3 -0.792 88.0-147.7-106.2 89.6 4.8 67.0 -3.1 80 80 A P - 0 0 19 0, 0.0 -49,-3.1 0, 0.0 2,-0.4 -0.405 21.4-179.9 -59.3 93.5 3.2 69.8 -5.1 81 81 A H B -A 30 0A 19 -2,-0.8 2,-0.6 -5,-0.3 -51,-0.3 -0.808 21.4-139.1 -98.0 140.3 6.1 71.8 -6.6 82 82 A D + 0 0 89 -53,-2.8 3,-0.1 -2,-0.4 -50,-0.0 -0.893 37.7 152.0-101.7 122.5 5.2 74.8 -8.7 83 83 A F - 0 0 68 -2,-0.6 2,-1.1 1,-0.1 -1,-0.2 0.698 33.6-153.0-114.0 -41.5 7.5 75.1 -11.8 84 84 A G - 0 0 57 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.653 66.4 -4.9 100.3 -75.2 5.3 76.8 -14.3 85 85 A M S S+ 0 0 154 -2,-1.1 2,-0.2 2,-0.1 0, 0.0 -0.568 103.7 65.2-132.8-163.8 6.9 75.5 -17.5 86 86 A K S S- 0 0 169 -2,-0.2 -1,-0.1 2,-0.0 -2,-0.0 0.165 102.2-110.2 67.5 -22.0 9.9 73.4 -18.5 87 87 A K - 0 0 157 -2,-0.2 -2,-0.1 2,-0.1 3,-0.1 0.140 48.4 -46.5 81.0 160.2 8.0 70.6 -16.7 88 88 A P - 0 0 61 0, 0.0 -15,-0.1 0, 0.0 -16,-0.0 -0.332 67.8-103.0 -63.1 139.2 8.9 68.8 -13.4 89 89 A P - 0 0 48 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.336 36.9-114.3 -62.8 143.5 12.6 67.7 -13.1 90 90 A L - 0 0 70 -3,-0.1 2,-1.2 1,-0.1 -21,-0.1 -0.637 13.8-142.3 -83.8 134.4 13.2 64.0 -13.6 91 91 A L + 0 0 1 -2,-0.3 -19,-0.1 -23,-0.3 -20,-0.1 -0.760 52.3 133.6 -96.5 88.6 14.4 62.0 -10.6 92 92 A N + 0 0 71 -2,-1.2 2,-0.3 1,-0.1 -1,-0.2 0.065 54.3 44.8-128.0 25.0 16.8 59.6 -12.5 93 93 A N S >> S- 0 0 61 1,-0.1 4,-1.9 -3,-0.1 3,-0.8 -0.991 81.9-102.4-163.8 160.1 19.9 59.6 -10.4 94 94 A A H 3> S+ 0 0 37 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.902 117.9 57.4 -50.0 -48.7 21.5 59.4 -6.9 95 95 A D H 3> S+ 0 0 123 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.871 108.2 48.4 -54.3 -36.8 22.1 63.2 -6.8 96 96 A S H <> S+ 0 0 23 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.897 110.4 48.3 -71.2 -42.7 18.4 63.7 -7.4 97 97 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.878 108.5 55.9 -66.4 -36.0 17.1 61.3 -4.7 98 98 A Q H X S+ 0 0 65 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.907 107.2 47.9 -61.7 -45.0 19.5 62.8 -2.1 99 99 A A H X S+ 0 0 50 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.929 113.4 47.4 -63.1 -47.1 18.2 66.3 -2.6 100 100 A K H X S+ 0 0 28 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.873 112.2 49.3 -63.0 -39.3 14.6 65.2 -2.3 101 101 A A H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.931 107.9 53.8 -66.7 -44.5 15.2 63.1 0.8 102 102 A E H X S+ 0 0 116 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.863 110.5 49.3 -56.1 -36.1 17.0 66.0 2.4 103 103 A M H X S+ 0 0 4 -4,-1.6 4,-3.2 2,-0.2 -1,-0.2 0.916 108.6 50.0 -69.2 -46.2 13.9 68.0 1.7 104 104 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.879 108.1 55.9 -60.5 -37.4 11.5 65.4 3.2 105 105 A D H X S+ 0 0 57 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.955 112.8 40.6 -56.6 -53.4 13.7 65.3 6.3 106 106 A N H X S+ 0 0 3 -4,-1.7 4,-1.9 1,-0.2 3,-0.3 0.917 111.8 55.0 -63.7 -46.5 13.3 69.0 6.8 107 107 A L H X S+ 0 0 7 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.822 105.0 55.9 -58.5 -31.4 9.6 69.1 5.9 108 108 A L H X S+ 0 0 44 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.896 107.7 46.3 -68.7 -41.5 9.0 66.4 8.6 109 109 A D H X S+ 0 0 10 -4,-1.4 4,-2.4 -3,-0.3 101,-0.2 0.825 112.0 51.7 -71.7 -29.5 10.5 68.5 11.3 110 110 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.923 109.8 49.2 -69.2 -44.1 8.6 71.5 10.1 111 111 A E H X S+ 0 0 14 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.916 111.9 49.9 -58.7 -42.9 5.4 69.4 10.2 112 112 A V H X S+ 0 0 8 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.909 112.0 47.4 -62.7 -42.7 6.4 68.4 13.8 113 113 A A H X S+ 0 0 2 -4,-2.4 4,-2.0 93,-0.2 -2,-0.2 0.874 112.0 48.8 -68.1 -38.3 7.0 72.0 14.7 114 114 A Y H < S+ 0 0 52 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.870 109.4 53.7 -69.5 -34.9 3.7 73.2 13.3 115 115 A S H < S+ 0 0 65 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.728 112.5 43.5 -71.1 -24.1 1.9 70.4 15.1 116 116 A L H >< S+ 0 0 47 -4,-1.0 3,-0.5 -3,-0.2 -1,-0.2 0.797 105.3 61.7 -87.4 -35.2 3.4 71.5 18.4 117 117 A L T 3< S+ 0 0 32 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.503 109.0 47.7 -68.9 -2.7 2.8 75.1 17.8 118 118 A R T 3 S+ 0 0 151 -4,-0.2 -1,-0.3 -5,-0.1 2,-0.3 -0.526 94.0 83.5-139.8 70.5 -0.9 74.2 17.6 119 119 A G < + 0 0 31 -3,-0.5 2,-0.9 -2,-0.1 -3,-0.1 -0.892 65.6 28.9-154.7-176.4 -1.9 72.0 20.6 120 120 A G S S- 0 0 93 -2,-0.3 2,-0.3 1,-0.1 -4,-0.0 -0.416 119.1 -19.5 62.3-100.3 -3.0 71.8 24.2 121 121 A S - 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