==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-OCT-12 4HHZ . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.F.LIU,T.T.CHEN,Y.C.XU . 1349 12 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 919 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 230 17.0 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 . 8 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 . 129 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 349 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.5 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 2 6 0 4 3 1 8 1 6 1 0 0 0 0 0 1 1 0 0 1 1 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 1 0 4 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 . 10 1 12 3 4 0 2 4 6 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 3 4 0 0 0 4 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 0 190 0, 0.0 126,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-147.6 -3.4 10.9 -46.6 2 2 A S - 0 0 22 124,-0.1 7,-0.0 1,-0.1 124,-0.0 -0.950 360.0-172.8-118.2 134.6 -5.1 11.2 -43.3 3 3 A K + 0 0 182 -2,-0.4 -1,-0.1 2,-0.0 3,-0.1 0.469 47.4 120.9-102.3 -5.0 -3.7 10.0 -40.0 4 4 A L S S- 0 0 37 1,-0.1 5,-0.1 2,-0.1 -2,-0.1 -0.299 76.6 -94.4 -61.1 141.8 -6.8 10.6 -37.8 5 5 A P >> - 0 0 63 0, 0.0 4,-1.4 0, 0.0 3,-0.6 -0.160 39.3-106.3 -58.8 157.1 -8.2 7.5 -36.2 6 6 A K H >> S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 3,-0.8 0.906 115.9 53.5 -55.6 -51.4 -10.9 5.7 -38.1 7 7 A P H 3> S+ 0 0 26 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.842 107.1 54.0 -56.1 -32.2 -13.9 6.7 -35.9 8 8 A V H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.875 104.9 53.5 -66.8 -36.0 -12.9 10.3 -36.3 9 9 A Q H < S+ 0 0 94 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.956 111.5 54.0 -63.9 -49.4 -18.1 12.3 -42.8 14 14 A M H >< S+ 0 0 32 -4,-3.7 3,-1.1 1,-0.2 -2,-0.2 0.902 113.1 40.6 -49.6 -49.4 -21.2 12.0 -40.6 15 15 A I H 3< S+ 0 0 5 -4,-2.7 194,-0.3 1,-0.3 -1,-0.2 0.659 115.7 49.1 -87.8 -13.0 -21.3 15.7 -39.8 16 16 A F T << S+ 0 0 12 -4,-1.5 2,-1.0 -3,-0.5 -1,-0.3 0.147 75.5 139.5-106.8 24.0 -20.4 17.0 -43.2 17 17 A D <> - 0 0 67 -3,-1.1 4,-1.5 -4,-0.2 3,-0.1 -0.538 32.9-170.6 -72.9 100.6 -22.9 14.8 -45.1 18 18 A V H > S+ 0 0 41 -2,-1.0 4,-2.3 1,-0.2 5,-0.2 0.843 86.0 55.1 -59.5 -37.1 -24.4 17.0 -47.8 19 19 A E H > S+ 0 0 67 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.925 104.9 53.2 -64.6 -42.4 -27.1 14.4 -48.6 20 20 A S H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.879 107.3 53.7 -55.9 -38.3 -28.2 14.4 -45.0 21 21 A M H X S+ 0 0 4 -4,-1.5 4,-1.8 1,-0.2 3,-0.4 0.976 111.6 42.7 -62.6 -55.6 -28.5 18.2 -45.2 22 22 A K H X S+ 0 0 33 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.865 110.9 55.8 -56.9 -42.4 -30.8 17.9 -48.2 23 23 A K H X S+ 0 0 56 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.869 107.1 51.7 -59.9 -34.8 -32.8 15.0 -46.7 24 24 A A H X S+ 0 0 8 -4,-1.9 4,-1.2 -3,-0.4 -1,-0.2 0.901 110.8 46.4 -68.0 -42.2 -33.5 17.3 -43.7 25 25 A M H <>S+ 0 0 0 -4,-1.8 5,-2.4 2,-0.2 4,-0.4 0.865 109.7 54.0 -69.5 -34.8 -34.7 20.1 -45.9 26 26 A V H ><5S+ 0 0 4 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.948 107.4 51.6 -63.1 -41.8 -36.8 17.6 -47.8 27 27 A E H 3<5S+ 0 0 117 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.767 104.7 55.9 -63.9 -26.7 -38.3 16.6 -44.5 28 28 A Y T 3<5S- 0 0 47 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.523 115.0-119.8 -81.7 -4.2 -39.1 20.2 -43.7 29 29 A E T < 5 + 0 0 41 -3,-1.6 53,-2.3 -4,-0.4 2,-0.2 0.728 55.0 165.7 70.0 26.0 -41.0 20.3 -47.0 30 30 A I B < -A 81 0A 1 -5,-2.4 2,-1.3 51,-0.2 51,-0.3 -0.525 47.1-114.1 -75.1 136.7 -38.7 23.0 -48.2 31 31 A D > - 0 0 10 49,-2.2 4,-2.7 -2,-0.2 -1,-0.1 -0.615 32.6-174.3 -69.3 98.6 -38.9 23.8 -51.9 32 32 A L T 4 S+ 0 0 5 -2,-1.3 -1,-0.2 2,-0.2 351,-0.1 0.634 83.1 54.7 -71.0 -16.7 -35.4 22.6 -52.8 33 33 A Q T 4 S+ 0 0 47 2,-0.1 -1,-0.2 349,-0.1 -2,-0.1 0.921 113.9 38.0 -78.6 -48.2 -35.9 23.9 -56.3 34 34 A K T 4 S+ 0 0 91 1,-0.3 -2,-0.2 46,-0.0 -1,-0.1 0.851 135.9 22.0 -69.7 -36.7 -36.9 27.4 -55.2 35 35 A M S < S- 0 0 4 -4,-2.7 -1,-0.3 45,-0.1 -2,-0.1 -0.715 81.6-168.6-134.1 82.3 -34.3 27.4 -52.4 36 36 A P >> - 0 0 17 0, 0.0 3,-0.9 0, 0.0 4,-0.7 -0.156 40.5-101.1 -61.4 165.1 -31.5 25.0 -53.0 37 37 A L G >4 S+ 0 0 2 1,-0.2 3,-0.7 2,-0.2 77,-0.1 0.830 123.4 56.9 -49.7 -37.5 -29.0 24.1 -50.2 38 38 A G G 34 S+ 0 0 54 1,-0.2 -1,-0.2 76,-0.0 -3,-0.0 0.779 99.6 55.7 -73.3 -24.6 -26.6 26.5 -52.0 39 39 A K G <4 S+ 0 0 78 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.650 76.2 132.6 -83.7 -13.8 -28.8 29.5 -51.9 40 40 A L << - 0 0 11 -3,-0.7 2,-0.5 -4,-0.7 3,-0.1 -0.072 39.1-164.8 -44.8 120.5 -29.2 29.3 -48.1 41 41 A S > - 0 0 17 1,-0.1 4,-3.1 2,-0.0 5,-0.2 -0.946 28.9-153.5-123.9 123.0 -28.7 32.6 -46.6 42 42 A K H > S+ 0 0 97 -2,-0.5 4,-1.9 2,-0.2 -1,-0.1 0.839 107.3 51.2 -52.8 -36.1 -28.0 33.5 -42.9 43 43 A R H > S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 109.9 48.0 -69.3 -43.1 -29.6 36.9 -43.9 44 44 A Q H > S+ 0 0 20 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.945 112.3 48.9 -61.7 -45.7 -32.6 35.2 -45.4 45 45 A I H X S+ 0 0 2 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.889 109.7 53.3 -64.3 -35.9 -32.9 32.9 -42.3 46 46 A Q H X S+ 0 0 99 -4,-1.9 4,-2.2 -5,-0.2 3,-0.3 0.950 105.9 52.2 -64.2 -47.6 -32.7 36.0 -40.1 47 47 A A H X S+ 0 0 41 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.896 108.3 52.2 -55.8 -43.8 -35.5 37.7 -42.0 48 48 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.871 106.2 53.2 -55.5 -43.7 -37.7 34.7 -41.5 49 49 A Y H X S+ 0 0 7 -4,-1.8 4,-2.0 -3,-0.3 -2,-0.2 0.937 107.3 52.0 -59.5 -48.4 -37.0 34.7 -37.7 50 50 A S H X S+ 0 0 47 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.856 110.2 48.6 -57.0 -37.3 -38.1 38.4 -37.6 51 51 A I H X S+ 0 0 8 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.887 106.6 55.3 -72.6 -39.5 -41.3 37.4 -39.4 52 52 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.878 109.4 49.8 -58.2 -34.4 -41.9 34.5 -37.0 53 53 A S H X S+ 0 0 13 -4,-2.0 4,-2.7 169,-0.3 -2,-0.2 0.903 111.4 46.0 -72.4 -42.5 -41.7 37.1 -34.2 54 54 A E H X S+ 0 0 69 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.893 112.6 52.1 -67.4 -37.3 -44.1 39.5 -35.8 55 55 A V H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.969 111.6 45.8 -57.4 -51.7 -46.5 36.6 -36.5 56 56 A Q H X S+ 0 0 41 -4,-2.3 4,-1.8 1,-0.3 -2,-0.2 0.894 113.4 49.3 -64.4 -38.9 -46.3 35.6 -32.9 57 57 A Q H X S+ 0 0 107 -4,-2.7 4,-3.7 2,-0.2 -1,-0.3 0.846 108.9 54.3 -62.7 -36.6 -46.8 39.2 -31.7 58 58 A A H X>S+ 0 0 4 -4,-2.3 4,-1.6 2,-0.2 5,-0.9 0.955 107.2 49.0 -64.1 -48.8 -49.7 39.5 -34.1 59 59 A V H <5S+ 0 0 53 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.888 119.3 39.9 -56.5 -38.7 -51.4 36.5 -32.5 60 60 A S H <5S+ 0 0 101 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.894 107.1 63.0 -75.9 -43.9 -50.8 37.9 -29.1 61 61 A Q H <5S- 0 0 144 -4,-3.7 -2,-0.2 -5,-0.1 -1,-0.2 0.818 111.5-111.2 -53.6 -37.9 -51.6 41.5 -30.0 62 62 A G T <5 + 0 0 67 -4,-1.6 -3,-0.1 1,-0.4 -1,-0.1 0.323 60.3 171.6 109.3 -3.4 -55.2 40.8 -30.9 63 63 A S < - 0 0 36 -5,-0.9 -1,-0.4 -6,-0.3 3,-0.1 -0.297 34.2 -96.3 -58.7 158.8 -54.6 41.5 -34.6 64 64 A S - 0 0 61 1,-0.4 -1,-0.1 -3,-0.1 -5,-0.0 -0.514 31.1-111.9-170.9 -27.3 -56.5 41.0 -36.9 65 65 A D S S+ 0 0 99 1,-0.1 -1,-0.4 -7,-0.0 2,-0.2 0.349 104.3 40.1 60.9 151.3 -56.6 38.1 -39.3 66 66 A S S S+ 0 0 79 1,-0.2 4,-0.4 -3,-0.1 -1,-0.1 0.270 115.5 61.7 57.9 -19.7 -55.6 38.5 -42.9 67 67 A Q S > S+ 0 0 108 -2,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.764 105.1 43.2 -89.3 -41.0 -53.0 40.6 -41.1 68 68 A I H > S+ 0 0 9 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.911 115.5 50.9 -59.1 -43.4 -51.8 37.4 -39.5 69 69 A L H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.844 105.8 55.6 -65.5 -34.8 -52.2 35.9 -42.9 70 70 A D H > S+ 0 0 99 -4,-0.4 4,-2.7 2,-0.2 3,-0.4 0.988 113.1 39.6 -58.5 -59.8 -50.1 38.6 -44.4 71 71 A L H X S+ 0 0 14 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.939 113.5 56.4 -52.0 -52.0 -47.2 37.9 -42.1 72 72 A S H X S+ 0 0 2 -4,-3.1 4,-1.3 1,-0.3 -1,-0.2 0.817 110.8 43.9 -55.9 -34.2 -47.8 34.2 -42.4 73 73 A N H X S+ 0 0 85 -4,-2.1 4,-1.9 -3,-0.4 -1,-0.3 0.888 106.3 60.6 -76.1 -40.6 -47.5 34.4 -46.2 74 74 A R H X S+ 0 0 20 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.905 103.2 53.0 -52.2 -43.6 -44.5 36.6 -45.9 75 75 A F H >X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-0.6 0.964 108.7 46.8 -57.0 -55.5 -42.7 33.9 -44.0 76 76 A Y H 3< S+ 0 0 23 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.752 107.8 59.3 -60.0 -23.2 -43.4 31.2 -46.7 77 77 A T H 3< S+ 0 0 58 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.913 109.4 42.8 -68.0 -40.1 -42.2 33.8 -49.2 78 78 A L H << S+ 0 0 3 -4,-1.7 -2,-0.2 -3,-0.6 -1,-0.2 0.890 128.3 28.5 -74.7 -41.8 -38.9 33.9 -47.5 79 79 A I S < S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.796 90.5-147.5-122.6 88.2 -38.6 30.1 -47.0 80 80 A P - 0 0 16 0, 0.0 -49,-2.2 0, 0.0 2,-0.2 -0.230 14.3-162.4 -58.4 134.9 -40.5 28.5 -49.9 81 81 A H B -A 30 0A 21 -51,-0.3 2,-0.3 -5,-0.2 -51,-0.2 -0.722 14.4-151.4-116.7 173.1 -42.3 25.2 -49.1 82 82 A D + 0 0 20 -53,-2.3 -50,-0.1 -2,-0.2 5,-0.1 -0.866 21.0 168.0-149.1 96.1 -43.6 22.5 -51.3 83 83 A F > - 0 0 34 -2,-0.3 3,-1.0 1,-0.3 2,-0.2 0.460 23.1-152.3-104.2 -0.9 -46.5 20.6 -49.8 84 84 A G T 3 S- 0 0 32 1,-0.3 -1,-0.3 284,-0.1 283,-0.1 -0.503 79.6 -0.2 63.0-127.3 -48.2 18.5 -52.5 85 85 A M T 3 S+ 0 0 34 281,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.905 120.9 76.6 -60.5 -48.9 -51.9 18.0 -51.6 86 86 A K S < S- 0 0 145 -3,-1.0 -3,-0.2 1,-0.1 0, 0.0 -0.289 79.7-127.4 -66.0 143.7 -51.9 20.0 -48.4 87 87 A K - 0 0 184 1,-0.1 3,-0.1 -5,-0.1 -1,-0.1 -0.666 44.6 -90.5 -79.9 149.8 -51.9 23.7 -48.3 88 88 A P - 0 0 56 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.497 55.2 -96.1 -68.8 130.6 -49.1 25.1 -46.1 89 89 A P - 0 0 55 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 -0.074 34.0-112.5 -52.8 130.7 -50.3 25.6 -42.5 90 90 A L - 0 0 67 1,-0.1 2,-1.5 -3,-0.1 3,-0.1 -0.465 23.2-137.7 -59.4 125.6 -51.5 29.0 -41.4 91 91 A L + 0 0 0 -2,-0.2 -19,-0.1 1,-0.2 -1,-0.1 -0.678 64.2 120.2 -85.0 83.3 -49.1 30.3 -38.8 92 92 A N + 0 0 58 -2,-1.5 2,-0.3 1,-0.1 -1,-0.2 0.082 60.4 54.8-133.3 24.0 -51.7 31.7 -36.4 93 93 A N S >> S- 0 0 60 -3,-0.1 4,-1.9 1,-0.0 3,-1.2 -0.982 85.4-107.0-159.1 148.2 -50.9 29.8 -33.2 94 94 A A H 3> S+ 0 0 71 -2,-0.3 4,-1.7 1,-0.3 5,-0.2 0.716 115.6 54.4 -50.8 -31.4 -48.0 29.1 -30.9 95 95 A D H 3> S+ 0 0 133 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.892 109.7 48.0 -72.1 -37.4 -47.5 25.5 -32.0 96 96 A S H <> S+ 0 0 26 -3,-1.2 4,-1.7 2,-0.2 3,-0.3 0.956 115.1 42.8 -65.6 -50.6 -47.3 26.5 -35.6 97 97 A V H X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.829 112.4 52.1 -71.5 -29.9 -44.8 29.4 -35.1 98 98 A Q H X S+ 0 0 38 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.745 107.0 55.2 -80.1 -20.1 -42.5 27.5 -32.7 99 99 A A H X S+ 0 0 47 -4,-1.1 4,-1.9 -3,-0.3 -2,-0.2 0.890 109.5 45.1 -70.8 -41.9 -42.4 24.6 -35.2 100 100 A K H X S+ 0 0 30 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.838 110.7 57.4 -68.4 -30.8 -41.1 26.9 -37.9 101 101 A A H X S+ 0 0 5 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.906 106.3 46.1 -66.4 -43.3 -38.7 28.4 -35.3 102 102 A E H X S+ 0 0 56 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.920 111.9 52.3 -64.1 -45.3 -37.1 25.0 -34.6 103 103 A M H X S+ 0 0 2 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.923 108.1 51.3 -56.3 -45.8 -36.8 24.3 -38.3 104 104 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.867 107.1 53.3 -61.3 -36.2 -35.1 27.7 -38.7 105 105 A D H X S+ 0 0 33 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.959 112.2 45.2 -59.4 -47.7 -32.7 26.8 -35.9 106 106 A N H X S+ 0 0 3 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.894 114.2 48.4 -65.8 -40.2 -31.9 23.6 -37.8 107 107 A L H >X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 3,-0.7 0.934 107.3 55.5 -62.2 -49.8 -31.6 25.4 -41.1 108 108 A L H 3X S+ 0 0 38 -4,-2.9 4,-1.3 1,-0.3 -1,-0.2 0.849 110.0 46.2 -50.7 -39.3 -29.3 28.1 -39.6 109 109 A D H 3X S+ 0 0 14 -4,-1.7 4,-1.6 2,-0.2 101,-0.4 0.724 110.0 53.4 -80.3 -22.4 -26.9 25.4 -38.5 110 110 A I H - 0 0 28 -126,-0.6 4,-1.5 1,-0.2 3,-0.5 -0.376 45.6-127.8 -54.9 126.5 -6.8 14.6 -47.4 128 128 A P H > S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.769 109.8 61.7 -59.6 -23.1 -10.1 16.4 -47.8 129 129 A I H >> S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 3,-0.6 0.985 103.5 47.4 -56.2 -58.2 -11.1 14.7 -44.6 130 130 A D H 3> S+ 0 0 22 -3,-0.5 4,-2.0 1,-0.3 -1,-0.2 0.769 108.4 57.6 -59.5 -24.7 -8.3 16.5 -42.8 131 131 A V H 3X S+ 0 0 27 -4,-1.5 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340B 36 -36,-3.1 -36,-2.4 -2,-0.3 2,-0.3 -0.971 27.2-169.6-113.0 120.6 -12.8 13.9 -26.3 178 178 A I E -B 140 0B 0 161,-3.1 2,-0.3 -2,-0.5 -38,-0.2 -0.808 21.6-175.4-117.6 157.1 -13.2 17.4 -27.8 179 179 A E E -B 139 0B 95 -40,-1.2 -40,-2.5 -2,-0.3 2,-0.3 -0.827 17.8-150.9-149.5 99.3 -11.6 20.7 -27.2 180 180 A R E >> -B 138 0B 23 -2,-0.3 3,-2.0 158,-0.3 4,-0.5 -0.579 31.6-109.1 -73.4 132.3 -13.0 23.5 -29.3 181 181 A E T 34 S+ 0 0 126 -44,-2.8 -1,-0.1 -2,-0.3 -2,-0.0 -0.429 102.9 21.3 -65.7 136.7 -10.3 26.1 -29.8 182 182 A G T 3> S+ 0 0 53 -2,-0.1 4,-1.8 -3,-0.0 -1,-0.2 0.220 98.1 98.6 98.6 -11.3 -11.0 29.2 -27.8 183 183 A E H <> S+ 0 0 0 -3,-2.0 4,-2.2 2,-0.2 5,-0.2 0.936 74.0 55.0 -78.8 -46.3 -13.3 27.5 -25.4 184 184 A a H X S+ 0 0 83 -4,-0.5 4,-1.6 2,-0.2 3,-0.5 0.939 112.7 44.5 -48.4 -54.4 -10.9 27.0 -22.5 185 185 A Q H >4 S+ 0 0 134 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.958 114.2 49.9 -54.1 -54.0 -10.0 30.7 -22.4 186 186 A R H 3< S+ 0 0 69 -4,-1.8 4,-0.3 1,-0.3 -1,-0.3 0.741 114.3 45.5 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2,-0.3 -0.855 6.6-171.2 -95.4 122.5 -19.9 22.1 -12.4 197 197 A R E -De 263 307B 31 66,-1.4 66,-2.5 -2,-0.6 2,-0.8 -0.823 27.3-126.1-112.1 152.8 -21.8 19.1 -13.7 198 198 A L E +D 262 0B 14 109,-2.2 2,-0.3 -2,-0.3 64,-0.2 -0.889 46.0 179.7 -95.3 108.9 -21.1 17.0 -16.7 199 199 A L E -D 261 0B 0 62,-3.3 62,-2.9 -2,-0.8 2,-0.4 -0.742 28.1-113.4-118.7 156.9 -24.4 17.2 -18.6 200 200 A W E -DF 260 237B 0 37,-2.8 37,-2.4 -2,-0.3 2,-0.4 -0.756 23.7-178.4 -86.7 133.2 -25.9 15.8 -21.8 201 201 A H E -D 259 0B 7 58,-2.2 58,-2.2 -2,-0.4 2,-0.3 -0.944 12.9-164.8-124.7 112.8 -26.9 18.1 -24.6 202 202 A G E +D 258 0B 1 -2,-0.4 2,-0.3 56,-0.2 56,-0.2 -0.725 14.7 162.6 -94.3 143.9 -28.5 16.2 -27.6 203 203 A S E -D 257 0B 15 54,-1.1 54,-0.6 -2,-0.3 2,-0.3 -0.923 43.5 -88.0-146.8 171.2 -28.9 17.6 -31.1 204 204 A R > - 0 0 53 -2,-0.3 3,-3.2 1,-0.1 4,-0.4 -0.702 41.1-115.5 -89.5 143.2 -29.6 16.4 -34.6 205 205 A T G > S+ 0 0 23 42,-0.4 3,-1.4 -2,-0.3 4,-0.3 0.749 112.3 67.5 -47.1 -34.2 -26.4 15.4 -36.6 206 206 A T G 3 S+ 0 0 25 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.654 100.1 53.8 -63.0 -12.9 -27.0 18.2 -39.1 207 207 A N G <> S+ 0 0 14 -3,-3.2 4,-2.2 1,-0.1 3,-0.3 0.612 82.5 87.9 -94.0 -15.9 -26.3 20.6 -36.3 208 208 A F H <> S+ 0 0 0 -3,-1.4 4,-2.2 -4,-0.4 5,-0.2 0.690 81.0 57.3 -70.0 -17.0 -22.9 19.3 -35.2 209 209 A A H > S+ 0 0 0 -4,-0.3 4,-2.9 -194,-0.3 5,-0.3 0.953 112.2 41.8 -71.6 -48.4 -20.8 21.3 -37.6 210 210 A G H > S+ 0 0 0 -101,-0.4 4,-2.0 -4,-0.3 5,-0.3 0.874 115.7 51.3 -64.8 -36.8 -22.2 24.6 -36.2 211 211 A I H X S+ 0 0 4 -4,-2.2 4,-3.2 3,-0.2 -2,-0.2 0.967 115.5 39.7 -66.6 -51.7 -22.0 23.2 -32.7 212 212 A L H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.972 121.1 43.5 -60.2 -52.8 -18.3 22.1 -33.0 213 213 A S H < S+ 0 0 21 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.783 135.7 13.8 -66.2 -27.6 -17.2 25.1 -34.9 214 214 A Q H < S- 0 0 94 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.453 99.7-125.4-131.5 -4.0 -19.1 27.7 -32.8 215 215 A G < - 0 0 0 -4,-3.2 2,-0.2 -5,-0.3 -1,-0.1 -0.017 52.6 -37.2 83.6 169.2 -20.3 26.0 -29.6 216 216 A L S S- 0 0 7 117,-0.2 2,-0.3 -4,-0.1 120,-0.1 -0.491 72.9-162.1 -66.8 134.0 -23.7 25.8 -28.1 217 217 A R - 0 0 48 -2,-0.2 2,-0.3 16,-0.1 16,-0.1 -0.780 18.0-122.4-124.4 164.5 -25.5 29.0 -28.8 218 218 A I - 0 0 45 -2,-0.3 16,-0.1 16,-0.1 14,-0.1 -0.792 41.7 -97.2-101.5 143.2 -28.5 31.0 -27.6 219 219 A A - 0 0 17 -2,-0.3 -1,-0.1 14,-0.2 13,-0.1 -0.342 44.6-110.9 -56.4 140.0 -31.3 32.0 -30.0 220 220 A P > - 0 0 42 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.276 25.5-109.5 -65.8 160.5 -30.9 35.5 -31.3 221 221 A P T 3 S+ 0 0 115 0, 0.0 -2,-0.1 0, 0.0 4,-0.0 0.691 117.9 65.9 -68.3 -18.9 -33.4 38.2 -30.1 222 222 A E T 3 S+ 0 0 52 2,-0.1 -169,-0.3 -169,-0.0 -170,-0.1 0.771 85.0 92.9 -66.4 -29.5 -34.9 38.2 -33.7 223 223 A A S < S- 0 0 5 -3,-1.0 3,-0.1 1,-0.1 -173,-0.1 -0.449 91.3-102.3 -65.9 139.0 -36.0 34.7 -32.9 224 224 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.136 47.2 -82.4 -53.4 152.4 -39.5 34.4 -31.5 225 225 A V - 0 0 106 -172,-0.1 2,-0.1 1,-0.1 -169,-0.0 -0.457 57.9-120.6 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