==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 18-APR-97 1FOK . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 ORGANISM_SCIENTIFIC: PLANOMICROBIUM OKEANOKOITES; . AUTHOR D.A.AGGARWAL,J.A.WAH,L.F.HIRSCH,I.DORNER,A.K.SCHILDKRAUT . 568 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25038.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 38 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 1 4 1 0 2 4 2 2 1 4 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 PARALLEL BRIDGES PER LADDER . 1 3 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 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 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 4 A K 0 0 140 0, 0.0 2,-0.3 0, 0.0 123,-0.0 0.000 360.0 360.0 360.0 -94.6 51.9 42.7 -3.7 2 5 A I + 0 0 63 2,-0.0 2,-0.3 366,-0.0 292,-0.0 -0.576 360.0 166.6 -75.5 126.6 49.9 40.1 -1.8 3 6 A R - 0 0 49 -2,-0.3 2,-0.5 2,-0.0 0, 0.0 -0.862 34.8-126.2-132.8 168.8 46.2 40.9 -2.3 4 7 A T + 0 0 21 -2,-0.3 2,-0.3 282,-0.0 282,-0.2 -0.996 37.4 158.2-122.3 120.3 42.9 39.1 -1.7 5 8 A F + 0 0 3 280,-0.6 278,-0.1 -2,-0.5 105,-0.1 -0.776 46.7 56.6-127.9 172.1 40.5 38.9 -4.6 6 9 A G S S+ 0 0 0 103,-0.3 2,-0.5 -2,-0.3 280,-0.1 0.016 87.8 81.0 95.2 -34.4 37.7 36.5 -5.3 7 10 A W - 0 0 0 151,-0.0 2,-0.5 175,-0.0 102,-0.1 -0.963 59.8-164.5-114.3 127.2 35.6 37.0 -2.1 8 11 A V + 0 0 3 -2,-0.5 219,-0.1 1,-0.1 218,-0.1 -0.949 10.7 174.9-116.1 115.9 33.3 40.0 -2.0 9 12 A Q + 0 0 53 -2,-0.5 -1,-0.1 217,-0.1 217,-0.1 0.991 67.9 19.1 -81.8 -73.1 31.8 41.3 1.3 10 13 A N S S+ 0 0 56 92,-0.1 93,-0.1 216,-0.0 -2,-0.1 0.951 87.4 101.7 -70.4 -59.7 29.7 44.5 1.2 11 14 A P + 0 0 5 0, 0.0 -3,-0.0 0, 0.0 3,-0.0 -0.012 25.3 150.0 -39.2 127.3 28.5 45.3 -2.5 12 15 A G + 0 0 19 1,-0.1 2,-0.6 217,-0.0 3,-0.1 0.533 43.6 87.5-135.7 -20.3 25.0 44.5 -3.5 13 16 A K > - 0 0 99 1,-0.2 4,-0.8 2,-0.0 3,-0.2 -0.808 44.9-170.5 -92.3 120.4 23.8 46.9 -6.2 14 17 A F H >> S+ 0 0 20 -2,-0.6 4,-2.4 2,-0.2 3,-0.7 0.861 90.6 72.7 -69.0 -31.5 24.5 45.9 -9.8 15 18 A E H 3> S+ 0 0 101 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.897 105.0 36.0 -49.0 -40.2 23.4 49.4 -10.4 16 19 A N H 3> S+ 0 0 28 -3,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.596 104.4 68.0 -91.7 -17.3 26.7 50.4 -8.9 17 20 A L H X S+ 0 0 8 -4,-2.4 4,-3.2 1,-0.2 3,-0.8 0.933 104.6 53.7 -53.4 -56.1 28.2 49.2 -13.7 19 22 A R H 3X S+ 0 0 47 -4,-1.0 4,-1.8 1,-0.3 -1,-0.2 0.888 111.1 49.0 -48.9 -41.2 29.3 52.7 -12.6 20 23 A V H 3< S+ 0 0 2 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.807 112.3 45.8 -69.7 -32.6 32.5 51.2 -11.4 21 24 A V H X< S+ 0 0 0 -4,-1.7 3,-2.2 -3,-0.8 -2,-0.2 0.959 111.5 53.5 -74.1 -44.3 33.1 49.3 -14.6 22 25 A Q H >< S+ 0 0 21 -4,-3.2 3,-3.0 1,-0.3 6,-0.3 0.807 89.6 72.3 -58.7 -38.1 32.3 52.3 -16.7 23 26 A V T 3< S+ 0 0 2 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.777 98.6 55.3 -52.1 -14.5 34.8 54.6 -14.9 24 27 A F T < S+ 0 0 6 -3,-2.2 2,-0.7 -4,-0.2 104,-0.4 0.435 92.3 77.1 -97.3 -5.0 37.3 52.3 -17.0 25 28 A D X - 0 0 9 -3,-3.0 3,-2.6 1,-0.2 6,-0.3 -0.860 67.6-156.2-113.7 95.8 35.7 53.0 -20.4 26 29 A R T 3 S+ 0 0 77 -2,-0.7 -1,-0.2 1,-0.3 6,-0.1 0.778 90.0 58.6 -35.7 -41.4 36.8 56.5 -21.7 27 30 A N T 3 S+ 0 0 140 -3,-0.1 2,-0.3 4,-0.1 -1,-0.3 0.280 85.3 102.1 -80.9 10.2 33.7 56.6 -23.9 28 31 A S S <> S- 0 0 15 -3,-2.6 4,-2.0 -6,-0.3 3,-0.3 -0.751 74.8-125.8-100.6 151.4 31.0 56.3 -21.2 29 32 A K H > S+ 0 0 170 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.874 110.8 50.4 -56.3 -40.9 28.8 58.9 -19.7 30 33 A V H > S+ 0 0 17 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.887 103.6 56.6 -69.3 -37.6 29.9 57.9 -16.1 31 34 A H H > S+ 0 0 6 -6,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.965 112.1 46.9 -52.9 -48.6 33.6 58.0 -16.9 32 35 A N H X S+ 0 0 75 -4,-2.0 4,-3.1 1,-0.2 5,-0.4 0.976 114.3 44.9 -52.3 -67.7 32.8 61.6 -17.9 33 36 A E H X>S+ 0 0 58 -4,-2.7 4,-2.0 1,-0.2 5,-1.6 0.795 112.6 48.1 -50.0 -48.0 30.7 62.4 -14.8 34 37 A V H <>S+ 0 0 0 -4,-3.2 5,-3.5 3,-0.2 -1,-0.2 0.959 118.7 41.7 -62.8 -44.2 33.0 60.9 -12.2 35 38 A K H <5S+ 0 0 8 -4,-2.1 -2,-0.2 -5,-0.4 -1,-0.2 0.874 123.6 35.3 -69.0 -43.6 36.0 62.7 -13.7 36 39 A N H <5S+ 0 0 90 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.2 0.676 137.4 8.3 -84.8 -26.6 34.4 66.1 -14.5 37 40 A I T X5S+ 0 0 83 -4,-2.0 4,-2.7 -5,-0.4 5,-0.3 0.626 122.4 48.4-118.1 -72.7 32.1 66.3 -11.6 38 41 A K H >> - 0 0 89 36,-0.2 4,-3.4 1,-0.2 5,-0.2 -0.380 66.9-155.4 -60.9 111.6 42.8 67.5 -1.1 46 49 A S H > S+ 0 0 77 -2,-0.5 4,-2.4 2,-0.2 5,-0.3 0.879 88.3 53.2 -52.8 -50.1 43.9 69.7 -4.0 47 50 A K H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.968 118.6 34.9 -52.6 -61.2 47.0 67.8 -4.9 48 51 A I H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.898 110.6 63.9 -59.3 -48.3 45.1 64.5 -5.2 49 52 A Q H X S+ 0 0 49 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.925 111.2 37.3 -41.7 -56.1 42.0 66.1 -6.7 50 53 A K H X S+ 0 0 137 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.976 111.5 59.0 -63.9 -55.4 44.0 67.2 -9.7 51 54 A E H X S+ 0 0 99 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.819 109.8 43.4 -41.6 -46.8 46.2 64.0 -10.0 52 55 A L H X S+ 0 0 8 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.915 107.1 56.1 -70.4 -46.7 43.1 61.7 -10.4 53 56 A V H < S+ 0 0 34 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.915 111.8 50.1 -50.8 -39.0 41.2 63.9 -12.8 54 57 A A H >X S+ 0 0 52 -4,-2.2 3,-2.9 2,-0.2 4,-0.6 0.941 104.7 51.8 -61.8 -60.6 44.4 63.5 -14.8 55 58 A I H >< S+ 0 0 28 -4,-2.2 3,-1.1 1,-0.3 7,-0.3 0.873 107.3 56.9 -48.2 -37.9 44.8 59.7 -14.6 56 59 A M T 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.597 101.3 58.2 -70.3 -13.1 41.3 59.5 -15.9 57 60 A N T <4 S+ 0 0 87 -3,-2.9 -1,-0.2 -4,-0.2 -2,-0.2 0.510 79.0 111.6 -92.1 -12.7 42.3 61.6 -18.9 58 61 A Q S << S- 0 0 99 -3,-1.1 3,-0.2 -4,-0.6 -32,-0.1 -0.054 73.4-121.8 -57.6 165.5 45.0 59.3 -20.3 59 62 A H S S+ 0 0 162 1,-0.3 2,-0.9 2,-0.0 -33,-0.1 0.923 104.2 43.3 -76.1 -51.1 44.4 57.5 -23.5 60 63 A D S S- 0 0 113 2,-0.1 -1,-0.3 -34,-0.0 2,-0.2 -0.854 92.5-137.3-101.4 96.9 44.9 54.0 -22.2 61 64 A L + 0 0 17 -2,-0.9 2,-0.3 -3,-0.2 67,-0.3 -0.367 39.1 153.2 -60.6 119.5 43.0 53.9 -18.9 62 65 A I - 0 0 73 -7,-0.3 2,-0.4 -2,-0.2 65,-0.2 -0.948 17.5-173.7-149.1 123.2 44.9 52.1 -16.2 63 66 A Y E -A 126 0A 0 63,-2.0 63,-2.4 -2,-0.3 2,-0.1 -0.952 19.3-126.9-123.3 145.4 44.4 52.9 -12.5 64 67 A T E > -A 125 0A 38 -2,-0.4 4,-1.5 61,-0.3 61,-0.3 -0.317 31.1-103.4 -85.3 171.8 46.4 51.5 -9.6 65 68 A Y H >> S+ 0 0 38 59,-2.0 4,-2.7 1,-0.2 3,-0.8 0.983 123.7 46.1 -55.3 -54.6 44.9 49.8 -6.5 66 69 A K H 3> S+ 0 0 140 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.862 107.2 56.8 -55.5 -42.9 45.5 53.0 -4.5 67 70 A E H 34 S+ 0 0 47 1,-0.2 17,-2.7 2,-0.2 -1,-0.2 0.825 117.1 35.6 -59.4 -33.2 44.1 55.4 -7.2 68 71 A L H << S+ 0 0 0 -4,-1.5 17,-1.5 -3,-0.8 18,-0.7 0.832 131.0 28.6 -88.2 -36.0 40.8 53.4 -7.1 69 72 A V H < S+ 0 0 1 -4,-2.7 -3,-0.2 -5,-0.2 13,-0.2 0.864 78.2 176.9 -97.8 -42.8 40.6 52.6 -3.4 70 73 A G < - 0 0 10 -4,-1.5 2,-0.2 -5,-0.4 -1,-0.1 -0.440 36.0 -69.2 73.1-154.5 42.4 55.3 -1.5 71 74 A T - 0 0 75 9,-0.1 11,-0.3 -2,-0.1 2,-0.3 -0.737 36.8-147.1-132.2 179.1 42.5 55.2 2.4 72 75 A G - 0 0 34 -2,-0.2 2,-0.2 28,-0.1 4,-0.1 -0.952 16.8-110.1-149.0 166.9 40.2 55.7 5.3 73 76 A T - 0 0 40 -2,-0.3 3,-0.2 3,-0.1 6,-0.1 -0.536 22.3-121.5-101.1 161.8 40.1 57.0 8.9 74 77 A S S S+ 0 0 127 1,-0.3 2,-1.4 -2,-0.2 -1,-0.1 0.943 114.1 52.2 -65.7 -44.2 39.8 55.3 12.3 75 78 A I S > S- 0 0 91 1,-0.2 3,-2.8 3,-0.1 -1,-0.3 -0.695 86.4-156.5 -91.7 90.8 36.7 57.3 13.0 76 79 A R G > S+ 0 0 111 -2,-1.4 3,-0.9 1,-0.3 -1,-0.2 0.630 84.8 63.4 -42.9 -24.7 34.9 56.5 9.8 77 80 A S G 3 S+ 0 0 91 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.789 98.1 55.3 -75.4 -25.0 32.8 59.7 10.0 78 81 A E G < S+ 0 0 135 -3,-2.8 -1,-0.2 2,-0.0 -2,-0.2 0.107 80.8 126.8 -95.2 22.2 35.8 62.0 9.6 79 82 A A < - 0 0 10 -3,-0.9 2,-0.1 -4,-0.1 -7,-0.1 -0.587 47.2-146.3 -88.7 142.8 37.1 60.5 6.4 80 83 A P - 0 0 64 0, 0.0 2,-0.8 0, 0.0 -9,-0.1 -0.418 30.4 -97.8 -90.3 175.8 37.9 62.6 3.2 81 84 A C + 0 0 1 -39,-0.5 -36,-0.2 -2,-0.1 -37,-0.1 -0.852 49.3 161.0-104.4 103.0 37.4 61.4 -0.3 82 85 A D + 0 0 33 -2,-0.8 2,-0.3 -11,-0.3 -1,-0.1 0.212 48.9 48.1-105.7 13.9 40.8 60.2 -1.6 83 86 A A S > S- 0 0 0 -14,-0.1 4,-2.2 1,-0.1 -15,-0.2 -0.999 73.4-110.2-159.2 163.1 40.0 58.0 -4.6 84 87 A I H > S+ 0 0 0 -17,-2.7 4,-1.1 -2,-0.3 -16,-0.2 0.881 113.4 42.1 -53.9 -55.7 38.3 57.2 -7.9 85 88 A I H >> S+ 0 0 2 -17,-1.5 4,-1.9 2,-0.2 3,-0.9 0.934 111.9 54.4 -62.4 -47.8 35.9 54.5 -6.7 86 89 A Q H >4 S+ 0 0 2 -18,-0.7 13,-1.4 1,-0.3 3,-0.6 0.948 111.1 47.4 -45.6 -58.7 34.9 56.3 -3.4 87 90 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.673 107.0 57.6 -56.5 -31.1 34.0 59.3 -5.5 88 91 A T H << S+ 0 0 6 -4,-1.1 2,-0.4 -3,-0.9 -1,-0.2 0.910 104.3 54.1 -69.7 -43.6 32.0 57.2 -7.9 89 92 A I S << S- 0 0 4 -4,-1.9 10,-1.4 -3,-0.6 2,-0.2 -0.773 75.9-130.1-104.6 143.4 29.5 55.6 -5.3 90 93 A A - 0 0 49 -2,-0.4 8,-0.2 8,-0.2 7,-0.1 -0.554 22.3-104.9 -94.6 148.6 27.2 57.2 -2.7 91 94 A D - 0 0 18 5,-0.5 -1,-0.1 -2,-0.2 8,-0.1 0.047 39.1-102.4 -56.5 168.9 26.7 56.6 1.0 92 95 A Q S S+ 0 0 212 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.934 120.9 13.9 -66.6 -39.4 23.6 54.9 2.3 93 96 A G S S- 0 0 54 3,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.248 109.8-103.7-119.9 17.6 22.1 58.1 3.3 94 97 A N + 0 0 115 -3,-0.1 -2,-0.1 1,-0.1 3,-0.0 0.806 69.2 150.8 64.5 30.7 24.3 60.6 1.5 95 98 A K S S+ 0 0 182 2,-0.0 2,-0.3 3,-0.0 -1,-0.1 0.863 83.9 2.9 -55.5 -47.3 26.0 61.3 4.9 96 99 A K S S- 0 0 50 2,-0.2 -5,-0.5 -16,-0.0 -3,-0.0 -0.679 92.4-114.1-121.1 176.7 29.1 62.1 2.9 97 100 A G S S+ 0 0 20 -2,-0.3 2,-0.3 -7,-0.1 -2,-0.0 0.268 89.6 58.7-103.9 19.6 28.7 61.9 -0.8 98 101 A Y S S- 0 0 28 -8,-0.2 -8,-0.2 -56,-0.1 -11,-0.2 -0.967 75.9-113.5-146.8 161.7 31.0 59.0 -1.1 99 102 A I - 0 0 19 -13,-1.4 -10,-0.1 -10,-1.4 -11,-0.1 -0.540 38.2-108.8 -92.3 153.1 31.8 55.4 -0.1 100 103 A D > - 0 0 39 -2,-0.2 4,-2.5 -14,-0.1 5,-0.2 -0.198 33.0 -95.9 -77.9 173.0 34.8 54.4 2.1 101 104 A N H > S+ 0 0 39 -30,-0.3 4,-2.5 2,-0.2 5,-0.2 0.852 121.3 53.1 -59.2 -34.0 38.0 52.5 1.2 102 105 A W H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.995 110.9 42.0 -67.4 -59.5 36.5 49.2 2.3 103 106 A S H > S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 115.5 54.8 -55.2 -35.5 33.3 49.3 0.3 104 107 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.927 105.3 49.1 -63.7 -45.1 35.5 50.6 -2.6 105 108 A D H X S+ 0 0 16 -4,-2.5 4,-2.9 -3,-0.3 -1,-0.2 0.885 108.1 60.1 -59.0 -36.4 37.8 47.7 -2.4 106 109 A G H X S+ 0 0 5 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.937 103.8 45.4 -57.1 -52.5 34.6 45.7 -2.4 107 110 A F H X S+ 0 0 13 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.838 112.0 53.8 -61.6 -33.9 33.4 47.0 -5.8 108 111 A L H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.988 110.9 45.2 -61.6 -57.1 36.9 46.4 -7.1 109 112 A R H X S+ 0 0 26 -4,-2.9 4,-2.9 1,-0.2 -103,-0.3 0.885 113.9 50.0 -53.8 -45.7 36.8 42.7 -6.0 110 113 A W H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.973 112.9 44.9 -60.0 -52.9 33.3 42.2 -7.3 111 114 A A H <>S+ 0 0 1 -4,-2.5 5,-2.4 1,-0.2 6,-0.9 0.856 116.1 46.7 -59.5 -39.9 34.1 43.6 -10.7 112 115 A H H ><5S+ 0 0 18 -4,-2.7 3,-1.6 -5,-0.2 -1,-0.2 0.933 109.6 55.7 -68.1 -41.3 37.4 41.7 -10.9 113 116 A A H 3<5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.914 107.8 46.6 -55.8 -50.3 35.6 38.5 -9.8 114 117 A L T 3<5S- 0 0 2 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.423 118.5-114.2 -75.0 1.6 33.0 38.7 -12.6 115 118 A G T < 5S+ 0 0 12 -3,-1.6 16,-0.3 2,-0.2 17,-0.3 0.798 83.4 116.6 72.5 35.0 35.9 39.3 -15.1 116 119 A F S > -B 125 0A 41 5,-3.4 5,-1.6 -2,-0.5 4,-1.4 -0.901 5.3-164.1-111.6 100.0 48.2 43.6 -13.8 121 124 A N T >45S+ 0 0 57 -2,-0.7 3,-2.6 1,-0.2 -1,-0.2 0.940 82.2 57.6 -43.8 -71.9 50.5 42.4 -11.1 122 125 A K T 345S+ 0 0 183 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.720 120.5 28.1 -25.2 -59.2 53.7 44.3 -12.2 123 126 A S T 345S- 0 0 43 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.465 99.1-130.4 -88.3 -11.2 52.0 47.7 -12.0 124 127 A D T <<5 + 0 0 38 -3,-2.6 -59,-2.0 -4,-1.4 2,-0.2 0.874 69.3 128.2 58.7 38.1 49.5 46.7 -9.3 125 128 A S E < -AB 64 120A 6 -5,-1.6 -5,-3.4 -61,-0.3 2,-0.3 -0.710 51.9-142.3-120.9 168.3 47.0 48.3 -11.6 126 129 A F E -AB 63 119A 0 -63,-2.4 -63,-2.0 -7,-0.2 2,-0.3 -0.952 13.6-174.9-131.7 152.4 43.7 47.2 -13.2 127 130 A V E - B 0 118A 25 -9,-1.6 -9,-3.0 -2,-0.3 -65,-0.1 -0.978 33.9 -93.3-146.0 148.3 42.2 47.9 -16.7 128 131 A I E - B 0 117A 28 -104,-0.4 -11,-0.2 -67,-0.3 2,-0.2 -0.115 38.9-140.9 -60.6 160.6 38.8 47.1 -18.3 129 132 A T > - 0 0 20 -13,-2.1 4,-2.6 1,-0.0 5,-0.2 -0.581 30.0 -93.1-113.1-176.1 38.4 43.8 -20.3 130 133 A D H > S+ 0 0 145 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.893 127.6 42.6 -67.7 -38.2 36.5 43.0 -23.5 131 134 A V H > S+ 0 0 74 -16,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.810 111.4 55.4 -79.0 -29.5 33.4 41.9 -21.6 132 135 A G H > S+ 0 0 0 -17,-0.3 4,-2.9 -16,-0.3 3,-0.3 0.987 109.7 46.4 -61.3 -55.3 33.7 44.9 -19.3 133 136 A L H X S+ 0 0 47 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.917 116.5 45.4 -47.1 -51.4 33.7 47.2 -22.4 134 137 A A H X S+ 0 0 45 -4,-2.2 4,-1.2 2,-0.2 -1,-0.3 0.781 110.2 55.1 -65.8 -28.7 30.8 45.2 -23.7 135 138 A Y H >< S+ 0 0 2 -4,-2.3 3,-0.6 -3,-0.3 -2,-0.2 0.985 109.4 46.2 -69.3 -53.0 29.1 45.3 -20.3 136 139 A S H 3< S+ 0 0 8 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.1 0.915 113.2 48.4 -50.0 -59.2 29.2 49.2 -20.1 137 140 A K H 3< S+ 0 0 136 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.754 90.6 98.0 -56.1 -31.5 28.0 49.6 -23.7 138 141 A S S << S- 0 0 11 -4,-1.2 2,-0.2 -3,-0.6 3,-0.0 -0.284 85.6-109.5 -58.3 145.7 25.1 47.2 -23.1 139 142 A A > - 0 0 60 1,-0.1 3,-1.7 2,-0.0 6,-0.4 -0.499 35.8 -96.8 -77.6 152.7 21.9 49.1 -22.3 140 143 A D T 3 S+ 0 0 124 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.473 112.9 19.6 -69.6 133.3 20.5 49.0 -18.7 141 144 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 -2,-0.2 5,-0.1 0.256 94.6 155.0 89.4 -9.6 17.8 46.4 -18.4 142 145 A S <> - 0 0 20 -3,-1.7 4,-3.0 1,-0.2 -1,-0.3 -0.107 55.0-139.5 -53.4 141.2 19.1 44.7 -21.6 143 146 A A H > S+ 0 0 71 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.805 114.9 54.5 -68.8 -21.8 18.6 41.1 -22.2 144 147 A I H > S+ 0 0 91 2,-0.2 4,-3.4 3,-0.2 5,-0.2 0.949 104.9 50.2 -72.2 -50.1 22.2 41.5 -23.4 145 148 A E H > S+ 0 0 26 -6,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.944 113.0 48.5 -51.4 -49.1 23.2 43.0 -20.0 146 149 A K H X S+ 0 0 91 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.981 112.5 45.3 -58.6 -58.7 21.5 40.1 -18.4 147 150 A E H X S+ 0 0 133 -4,-2.8 4,-2.5 1,-0.3 5,-0.2 0.877 112.7 52.3 -56.6 -33.3 23.2 37.5 -20.6 148 151 A I H X S+ 0 0 25 -4,-3.4 4,-1.5 2,-0.2 -1,-0.3 0.940 114.1 43.2 -64.2 -45.7 26.5 39.2 -20.1 149 152 A L H X S+ 0 0 9 -4,-2.8 4,-3.1 -3,-0.3 -2,-0.2 0.925 113.5 50.3 -64.7 -47.1 26.0 39.1 -16.3 150 153 A I H X S+ 0 0 19 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.882 111.7 47.7 -61.8 -39.4 24.7 35.6 -16.2 151 154 A E H < S+ 0 0 78 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.2 0.823 111.5 52.6 -69.4 -32.9 27.7 34.4 -18.3 152 155 A A H >< S+ 0 0 6 -4,-1.5 3,-1.9 -5,-0.2 4,-0.3 0.980 109.1 48.8 -61.2 -55.8 30.0 36.3 -15.9 153 156 A I H >< S+ 0 0 0 -4,-3.1 3,-2.2 1,-0.3 6,-0.2 0.851 103.3 60.5 -49.1 -50.1 28.4 34.6 -12.9 154 157 A S T 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.637 102.8 52.7 -58.2 -14.4 28.8 31.2 -14.4 155 158 A S T < S+ 0 0 7 -3,-1.9 126,-2.8 -4,-0.4 -1,-0.3 0.496 89.0 91.1 -97.1 -8.4 32.6 31.8 -14.5 156 159 A Y X> - 0 0 0 -3,-2.2 3,-1.4 -4,-0.3 4,-1.3 -0.815 66.9-156.4 -91.5 102.3 32.7 32.7 -10.8 157 160 A P H >> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-1.5 0.904 87.6 53.4 -48.1 -58.9 33.3 29.4 -8.9 158 161 A P H 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 188,-0.1 0.764 107.8 52.9 -54.8 -20.2 31.8 30.4 -5.5 159 162 A A H <> S+ 0 0 0 -3,-1.4 4,-1.7 -6,-0.2 5,-0.1 0.789 106.1 52.2 -84.1 -25.9 28.6 31.4 -7.2 160 163 A I H < S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.903 111.4 48.4 -49.7 -53.9 23.9 26.9 -7.0 164 167 A T H >< S+ 0 0 17 -4,-2.9 3,-3.0 1,-0.3 4,-0.3 0.975 104.1 60.2 -51.4 -57.1 25.2 23.3 -6.6 165 168 A L H 3< S+ 0 0 27 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.724 110.1 44.3 -45.7 -26.0 24.4 23.4 -2.8 166 169 A L T X< S+ 0 0 0 -3,-1.2 3,-1.3 -4,-1.1 96,-0.4 0.113 76.7 109.0-108.3 19.8 20.7 23.9 -3.8 167 170 A E T < S+ 0 0 66 -3,-3.0 -1,-0.1 1,-0.3 -2,-0.1 0.960 75.2 58.9 -57.8 -52.7 20.3 21.3 -6.7 168 171 A D T 3 S- 0 0 127 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.447 118.7-109.1 -57.7 -4.1 18.1 19.0 -4.7 169 172 A G < + 0 0 47 -3,-1.3 -1,-0.1 1,-0.2 -2,-0.1 0.715 63.7 156.7 82.6 20.2 15.6 21.8 -4.2 170 173 A Q - 0 0 67 -5,-0.2 2,-0.8 1,-0.1 92,-0.4 -0.284 48.2-124.4 -77.4 167.4 16.3 22.4 -0.5 171 174 A H - 0 0 42 90,-0.1 90,-0.2 88,-0.0 2,-0.2 -0.831 41.7-177.5-111.9 84.6 15.6 25.6 1.4 172 175 A L E -C 260 0B 30 88,-1.5 88,-3.0 -2,-0.8 2,-0.2 -0.553 16.7-136.0 -89.1 153.3 19.0 26.3 2.8 173 176 A T E > -C 259 0B 0 86,-0.3 4,-2.8 -2,-0.2 5,-0.3 -0.599 32.8-101.0-101.4 166.5 20.0 29.2 5.1 174 177 A K H > S+ 0 0 5 84,-2.7 4,-2.5 1,-0.2 50,-0.2 0.797 126.0 54.4 -58.2 -18.7 23.0 31.4 5.0 175 178 A F H > S+ 0 0 6 83,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 107.3 46.5 -82.6 -42.2 24.3 29.2 7.8 176 179 A D H > S+ 0 0 29 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.924 119.7 41.0 -62.8 -46.7 23.9 26.0 5.9 177 180 A L H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.952 112.0 56.3 -65.9 -47.2 25.5 27.5 2.7 178 181 A G H >< S+ 0 0 0 -4,-2.5 3,-2.0 -5,-0.3 -2,-0.2 0.872 97.1 63.6 -50.2 -45.9 28.1 29.3 4.8 179 182 A K H 3< S+ 0 0 118 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.803 112.0 36.1 -44.9 -42.1 29.3 26.0 6.3 180 183 A N T << S+ 0 0 69 -3,-1.4 2,-0.4 -4,-0.7 -1,-0.3 -0.089 93.5 107.6-108.9 31.4 30.3 24.7 2.9 181 184 A L S < S- 0 0 0 -3,-2.0 164,-0.2 164,-0.1 163,-0.1 -0.943 81.5 -32.9-113.8 129.6 31.6 27.9 1.3 182 185 A G S S- 0 0 0 162,-0.9 2,-3.4 -2,-0.4 162,-0.1 0.030 118.5 -17.1 59.2-172.0 35.3 28.6 0.6 183 186 A F S S- 0 0 4 162,-0.1 6,-0.2 161,-0.0 -1,-0.2 -0.295 85.0-157.2 -68.5 68.9 38.1 27.3 2.9 184 187 A S + 0 0 43 -2,-3.4 6,-0.2 1,-0.2 3,-0.1 -0.128 66.7 29.3 -50.8 131.3 35.6 26.7 5.7 185 188 A G S S+ 0 0 21 4,-2.6 2,-0.3 1,-0.3 -1,-0.2 0.894 97.3 105.7 82.2 48.4 37.0 26.6 9.3 186 189 A E B > S-E 189 0C 13 3,-0.6 3,-2.9 -3,-0.1 -1,-0.3 -0.950 87.7 -75.5-151.6 161.6 39.9 29.0 8.7 187 190 A S T 3 S+ 0 0 25 -2,-0.3 3,-0.3 1,-0.3 104,-0.1 0.736 127.6 27.8 -30.2 -56.6 40.6 32.6 9.7 188 191 A G T 3 S+ 0 0 7 1,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.243 116.5 62.6-100.9 20.6 38.4 34.3 7.1 189 192 A F B < +E 186 0C 0 -3,-2.9 -4,-2.6 -6,-0.2 -3,-0.6 -0.478 63.9 143.8-139.8 55.9 35.8 31.6 6.8 190 193 A T - 0 0 4 -3,-0.3 30,-1.5 -5,-0.2 31,-0.6 -0.781 31.7-152.4 -98.3 144.4 34.1 31.1 10.2 191 194 A S - 0 0 14 -2,-0.3 -16,-0.1 29,-0.2 28,-0.0 -0.955 15.2-118.1-126.8 143.1 30.4 30.3 10.4 192 195 A L - 0 0 9 -2,-0.4 2,-0.7 1,-0.1 -13,-0.1 -0.525 34.2-114.3 -75.8 133.5 27.8 31.0 13.1 193 196 A P > - 0 0 11 0, 0.0 4,-2.5 0, 0.0 5,-0.1 -0.654 20.4-157.6 -72.7 109.7 26.1 27.8 14.6 194 197 A E H > S+ 0 0 29 -2,-0.7 4,-2.7 2,-0.2 5,-0.3 0.804 88.5 61.5 -58.6 -32.5 22.5 27.9 13.5 195 198 A G H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.995 109.2 38.4 -56.0 -67.9 21.6 25.7 16.5 196 199 A I H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.888 115.5 55.6 -48.1 -48.6 22.7 28.1 19.1 197 200 A L H X S+ 0 0 6 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.966 110.4 42.2 -53.3 -59.4 21.4 31.1 17.1 198 201 A L H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.910 111.6 58.0 -55.9 -43.5 17.8 29.8 16.7 199 202 A D H >X S+ 0 0 41 -4,-2.6 4,-1.7 -5,-0.3 3,-0.5 0.967 111.3 39.6 -52.0 -57.2 17.9 28.7 20.3 200 203 A T H 3< S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.925 110.0 58.6 -62.6 -44.1 18.7 32.2 21.6 201 204 A L H 3< S+ 0 0 3 -4,-2.9 3,-0.4 -5,-0.3 -1,-0.3 0.878 112.2 46.2 -50.2 -36.6 16.3 33.8 19.1 202 205 A A H << S+ 0 0 12 -4,-2.2 2,-2.1 -3,-0.5 -2,-0.2 0.978 116.5 35.7 -68.9 -79.9 13.8 31.6 20.9 203 206 A N S < S+ 0 0 84 -4,-1.7 2,-0.3 -5,-0.1 -1,-0.2 -0.456 99.0 92.8 -82.0 76.2 14.3 32.0 24.6 204 207 A A S S- 0 0 35 -2,-2.1 5,-0.1 -3,-0.4 4,-0.1 -0.929 81.1 -98.5-160.9 138.1 15.3 35.7 24.6 205 208 A M >> - 0 0 111 -2,-0.3 3,-2.4 1,-0.1 4,-0.6 -0.408 31.2-118.0 -69.4 135.7 13.1 38.8 25.2 206 209 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.662 106.6 80.1 -39.8 -27.0 12.0 40.7 22.0 207 210 A K T 34 S+ 0 0 157 1,-0.2 -2,-0.1 3,-0.1 3,-0.1 0.560 108.5 27.0 -63.2 -7.9 13.9 43.8 23.3 208 211 A D T <> S+ 0 0 61 -3,-2.4 4,-2.3 -7,-0.1 2,-1.8 0.528 94.2 94.1-128.7 -17.8 17.0 42.0 21.9 209 212 A K T < S+ 0 0 41 -4,-0.6 -1,-0.1 1,-0.2 -5,-0.0 -0.510 87.2 45.5 -85.9 78.2 15.8 39.7 19.0 210 213 A G T >> S+ 0 0 35 -2,-1.8 4,-2.2 -3,-0.1 3,-1.8 -0.122 109.9 52.4-172.7 -54.7 16.3 42.1 16.1 211 214 A E H 3> S+ 0 0 105 1,-0.3 4,-1.8 2,-0.2 2,-0.5 0.979 109.4 53.3 -57.7 -50.6 19.8 43.2 17.1 212 215 A I H 3< S+ 0 0 10 -4,-2.3 -1,-0.3 1,-0.2 -3,-0.1 0.147 111.2 46.1 -75.3 25.5 20.6 39.5 17.3 213 216 A R H <4 S+ 0 0 72 -3,-1.8 -1,-0.2 -2,-0.5 -2,-0.2 0.562 115.3 41.8-124.0 -47.1 19.4 38.9 13.8 214 217 A N H < S+ 0 0 136 -4,-2.2 -2,-0.2 -3,-0.3 -3,-0.2 0.572 125.6 39.1 -75.3 -24.0 21.0 41.8 12.0 215 218 A N S < S+ 0 0 95 -4,-1.8 2,-0.9 -5,-0.3 -3,-0.2 0.802 91.4 87.9 -98.6 -39.3 24.2 41.2 14.0 216 219 A W + 0 0 28 -5,-0.3 2,-0.2 -19,-0.0 -1,-0.1 -0.589 60.0 99.5 -73.8 99.7 24.6 37.3 14.2 217 220 A E - 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