==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RESINIFERATOXIN BINDING PROTEIN 30-SEP-09 3K2G . COMPND 2 MOLECULE: RESINIFERATOXIN-BINDING, PHOSPHOTRIESTERASE- . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES 2.4.1; . AUTHOR D.KUMARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 1430 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48595.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 977 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 6 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 . 83 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 199 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 403 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 54 3.8 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 6 5 0 7 4 2 6 4 1 12 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 9 7 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 7 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 ANTIPARALLEL BRIDGES PER LADDER . 11 4 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 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 2 A S 0 0 166 0, 0.0 198,-0.1 0, 0.0 197,-0.1 0.000 360.0 360.0 360.0 -0.7 24.3 21.2 -0.0 2 3 A E + 0 0 63 196,-0.3 156,-0.1 2,-0.0 196,-0.0 0.260 360.0 135.7-111.6 10.9 23.0 20.8 3.6 3 4 A L - 0 0 90 1,-0.1 196,-0.2 197,-0.1 197,-0.2 -0.335 60.3-114.9 -61.6 138.3 25.0 23.7 5.2 4 5 A S > - 0 0 1 195,-2.6 3,-1.6 1,-0.1 155,-0.1 -0.381 23.6-117.2 -67.2 151.2 22.9 25.8 7.5 5 6 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.697 119.4 44.0 -66.1 -12.3 22.5 29.4 6.2 6 7 A C T 3 S+ 0 0 4 152,-0.1 8,-0.4 193,-0.1 5,-0.1 -0.191 82.0 153.2-122.2 39.9 24.4 30.3 9.4 7 8 A H X > - 0 0 36 -3,-1.6 3,-2.3 1,-0.1 5,-0.5 -0.204 64.3 -92.0 -63.4 164.3 27.1 27.6 9.4 8 9 A V T 3 5S+ 0 0 6 192,-2.8 343,-3.2 1,-0.3 344,-0.4 0.583 126.6 48.9 -58.2 -13.2 30.4 28.5 11.1 9 10 A R T 3 5S+ 0 0 168 341,-0.2 -1,-0.3 342,-0.1 341,-0.1 0.143 93.3 79.3-111.3 19.0 32.0 29.9 8.0 10 11 A S T < 5S- 0 0 24 -3,-2.3 -2,-0.2 2,-0.3 -1,-0.1 0.662 93.1-128.7 -96.9 -21.2 29.0 32.1 7.0 11 12 A G T 5S+ 0 0 25 -4,-0.4 11,-2.6 1,-0.3 12,-0.4 0.532 78.2 99.5 82.4 4.6 29.7 35.0 9.4 12 13 A R E < -A 21 0A 111 -5,-0.5 2,-0.4 9,-0.3 -1,-0.3 -0.816 60.5-147.2-122.0 162.2 26.1 34.6 10.6 13 14 A I E -A 20 0A 0 7,-3.1 7,-2.0 -2,-0.3 2,-0.7 -0.997 16.5-131.2-132.0 133.2 24.3 33.0 13.5 14 15 A X E +A 19 0A 3 -2,-0.4 114,-0.4 -8,-0.4 2,-0.2 -0.747 29.7 178.3 -87.5 111.9 20.9 31.3 13.5 15 16 A T E > -A 18 0A 4 3,-2.2 3,-2.1 -2,-0.7 153,-0.4 -0.606 47.6-100.5-102.4 170.5 18.7 32.5 16.4 16 17 A V T 3 S+ 0 0 1 110,-2.9 111,-0.1 1,-0.3 100,-0.1 0.692 126.6 51.0 -64.3 -16.4 15.1 31.5 17.0 17 18 A D T 3 S- 0 0 97 1,-0.4 -1,-0.3 109,-0.3 110,-0.1 0.147 126.2 -85.0-105.3 16.1 14.1 34.8 15.4 18 19 A G E < -A 15 0A 19 -3,-2.1 -3,-2.2 150,-0.2 -1,-0.4 -0.482 67.4 -27.6 111.4 177.2 16.2 34.3 12.3 19 20 A P E -A 14 0A 68 0, 0.0 -5,-0.2 0, 0.0 -13,-0.0 -0.361 51.7-178.8 -70.3 146.8 19.8 34.9 11.1 20 21 A I E -A 13 0A 22 -7,-2.0 -7,-3.1 -2,-0.1 2,-0.1 -0.982 36.6 -99.9-141.2 148.2 22.0 37.6 12.6 21 22 A P E > -A 12 0A 72 0, 0.0 3,-2.5 0, 0.0 -9,-0.3 -0.481 35.6-119.5 -67.6 145.4 25.5 38.6 11.8 22 23 A S G > S+ 0 0 3 -11,-2.6 3,-1.6 1,-0.3 4,-0.5 0.794 112.7 68.1 -55.5 -29.2 28.0 37.1 14.3 23 24 A S G 3 S+ 0 0 78 -12,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.694 94.0 59.8 -64.0 -17.5 29.0 40.6 15.3 24 25 A A G < S+ 0 0 35 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.529 80.3 84.4 -89.7 -7.1 25.5 41.0 16.7 25 26 A L < + 0 0 1 -3,-1.6 -1,-0.2 -4,-0.3 100,-0.2 0.929 66.3 160.2 -61.2 -46.5 25.8 38.2 19.3 26 27 A G + 0 0 23 -4,-0.5 2,-0.3 -3,-0.2 -1,-0.1 -0.104 51.1 12.5 60.0-158.0 27.5 40.4 21.8 27 28 A H S S- 0 0 34 69,-0.3 71,-2.9 318,-0.1 72,-1.9 -0.363 87.5-176.5 -56.1 112.1 27.7 39.7 25.6 28 29 A T E -b 99 0B 1 313,-3.0 2,-0.6 -2,-0.3 72,-0.2 -0.881 38.8-147.7-127.7 148.7 26.6 36.1 25.7 29 30 A L E -b 100 0B 0 70,-1.8 72,-2.9 -2,-0.3 3,-0.2 -0.965 20.2-161.0-108.3 112.9 25.8 33.2 28.0 30 31 A X S S+ 0 0 1 268,-0.9 2,-0.2 -2,-0.6 269,-0.1 0.561 73.3 29.1 -72.6 -13.4 26.7 30.0 26.1 31 32 A H S S+ 0 0 0 267,-0.2 270,-1.7 71,-0.1 269,-0.4 -0.678 72.3 132.0-157.3 95.7 24.8 27.5 28.1 32 33 A E - 0 0 0 69,-2.0 2,-0.6 -3,-0.2 72,-0.3 -0.985 42.2-136.3-142.4 149.1 21.5 28.2 30.0 33 34 A H + 0 0 5 269,-1.6 3,-0.1 -2,-0.3 271,-0.1 -0.944 18.3 177.6-109.4 122.5 18.1 26.5 30.1 34 35 A L S S+ 0 0 1 -2,-0.6 2,-0.3 1,-0.4 -1,-0.1 0.785 77.9 5.2 -91.5 -33.0 15.1 29.0 29.9 35 36 A Q S S+ 0 0 12 45,-0.1 -1,-0.4 50,-0.0 2,-0.3 -0.977 80.9 141.9-148.4 142.7 12.5 26.2 30.0 36 37 A N E -D 79 0C 11 43,-1.9 43,-0.9 -2,-0.3 2,-0.4 -0.979 40.5-125.1-168.8 177.0 13.0 22.5 30.6 37 38 A D E +D 78 0C 58 71,-1.9 3,-0.2 -2,-0.3 41,-0.2 -0.910 25.6 164.1-142.3 108.8 11.7 19.3 32.1 38 39 A C > + 0 0 11 39,-1.8 3,-2.7 -2,-0.4 40,-0.2 0.061 36.0 124.6-111.4 21.5 14.0 17.2 34.4 39 40 A R G > + 0 0 153 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.787 65.2 68.3 -52.2 -29.2 11.2 15.1 35.9 40 41 A C G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.632 93.1 59.0 -67.3 -12.7 13.1 12.0 34.8 41 42 A W G < S+ 0 0 56 -3,-2.7 -1,-0.3 36,-0.2 -2,-0.2 0.200 73.9 147.8-101.8 16.9 15.8 12.8 37.3 42 43 A W < - 0 0 72 -3,-1.6 30,-0.2 1,-0.1 29,-0.1 -0.266 31.0-165.6 -50.9 124.8 13.4 12.7 40.2 43 44 A N - 0 0 49 28,-3.1 -1,-0.1 26,-0.1 3,-0.1 -0.660 11.8-159.4-119.6 74.3 15.4 11.4 43.2 44 45 A P - 0 0 67 0, 0.0 2,-0.5 0, 0.0 29,-0.1 -0.198 22.0-112.4 -55.7 137.7 12.6 10.5 45.7 45 46 A P - 0 0 21 0, 0.0 9,-0.1 0, 0.0 5,-0.1 -0.621 21.4-164.1 -76.2 122.1 13.6 10.3 49.4 46 47 A Q + 0 0 193 -2,-0.5 5,-0.0 -3,-0.1 3,-0.0 0.429 69.3 80.6 -85.7 0.9 13.3 6.7 50.6 47 48 A E S > S- 0 0 67 1,-0.1 3,-1.9 3,-0.0 4,-0.2 -0.914 77.4-136.7-112.4 135.3 13.4 7.9 54.2 48 49 A P G > S+ 0 0 89 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.798 101.1 66.2 -54.9 -34.8 10.4 9.2 56.1 49 50 A E G 3 S+ 0 0 169 1,-0.3 -3,-0.0 2,-0.1 4,-0.0 0.540 108.8 39.2 -68.4 -5.8 12.4 12.1 57.7 50 51 A R G X S+ 0 0 40 -3,-1.9 3,-0.9 2,-0.1 4,-0.3 0.244 81.1 104.8-126.0 8.7 12.8 13.6 54.2 51 52 A Q T X> S+ 0 0 113 -3,-1.3 3,-1.2 1,-0.2 4,-0.7 0.788 74.9 62.7 -61.8 -28.4 9.4 12.9 52.7 52 53 A Y H 3> S+ 0 0 115 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.826 91.1 65.4 -68.2 -29.9 8.4 16.6 53.1 53 54 A L H <4 S+ 0 0 0 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.592 96.8 62.5 -68.3 -9.4 11.2 17.6 50.7 54 55 A A H <4 S+ 0 0 4 -3,-1.2 20,-2.0 -4,-0.3 21,-0.5 0.979 113.1 18.4 -82.5 -65.5 9.3 15.8 47.9 55 56 A E H < S+ 0 0 134 -4,-0.7 -2,-0.1 18,-0.1 -3,-0.1 0.502 98.5 105.9 -89.2 -3.8 5.9 17.4 47.3 56 57 A A S < S- 0 0 32 -4,-1.1 19,-0.3 1,-0.1 3,-0.1 -0.541 74.0-117.0 -79.9 139.8 6.5 20.7 49.0 57 58 A P - 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.426 47.4 -83.5 -71.0 149.8 7.0 23.8 46.8 58 59 A I + 0 0 11 -2,-0.1 2,-0.3 3,-0.0 3,-0.0 -0.303 61.1 169.2 -54.9 132.5 10.4 25.4 47.2 59 60 A S > - 0 0 30 -3,-0.1 3,-1.5 252,-0.1 4,-0.3 -0.944 46.8-104.3-142.2 159.5 10.5 27.7 50.2 60 61 A I G > S+ 0 0 20 -2,-0.3 3,-1.1 1,-0.3 4,-0.3 0.834 112.8 60.2 -56.4 -37.0 13.2 29.5 52.1 61 62 A E G 3 S+ 0 0 98 1,-0.2 -1,-0.3 610,-0.1 4,-0.2 0.569 106.1 45.4 -73.2 -7.4 13.3 27.2 55.0 62 63 A I G <> S+ 0 0 11 -3,-1.5 4,-2.1 1,-0.1 -1,-0.2 0.334 80.2 101.4-115.6 8.2 14.2 24.1 53.0 63 64 A L H <> S+ 0 0 3 -3,-1.1 4,-2.2 -4,-0.3 5,-0.2 0.856 76.8 56.7 -61.3 -38.3 16.9 25.5 50.8 64 65 A S H > S+ 0 0 5 609,-0.4 4,-0.7 -4,-0.3 -1,-0.2 0.966 110.4 44.7 -58.6 -51.4 19.8 24.0 52.8 65 66 A E H >4 S+ 0 0 22 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.885 111.0 53.4 -59.3 -41.8 18.5 20.5 52.4 66 67 A L H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.873 101.5 59.7 -63.3 -36.2 17.7 21.0 48.7 67 68 A R H 3< S+ 0 0 36 -4,-2.2 199,-2.7 1,-0.3 -1,-0.3 0.735 106.1 49.3 -63.7 -20.5 21.3 22.2 48.1 68 69 A Q T << S+ 0 0 21 -3,-1.0 200,-0.4 -4,-0.7 -1,-0.3 0.474 132.0 14.1 -96.2 -3.7 22.4 18.7 49.4 69 70 A D X + 0 0 5 -3,-1.5 3,-2.1 -4,-0.4 4,-0.3 -0.262 67.9 176.9-169.8 67.1 20.0 16.8 47.1 70 71 A P G > S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 6,-0.1 0.795 79.5 55.3 -45.1 -44.0 18.5 19.1 44.3 71 72 A F G 3 S+ 0 0 11 1,-0.2 -28,-3.1 -29,-0.1 6,-0.1 0.373 83.7 85.1 -78.4 4.9 16.5 16.3 42.6 72 73 A V G < S+ 0 0 0 -3,-2.1 2,-0.5 -30,-0.2 -1,-0.2 0.685 80.3 72.9 -78.7 -16.4 14.6 15.3 45.7 73 74 A N <> - 0 0 0 -3,-1.0 4,-1.2 -4,-0.3 -19,-0.2 -0.883 63.7-159.3-109.0 123.1 12.0 18.0 45.1 74 75 A K T 4 S+ 0 0 93 -20,-2.0 3,-0.5 -2,-0.5 -1,-0.1 0.914 94.2 53.2 -59.7 -50.3 9.4 17.8 42.3 75 76 A H T 4 S+ 0 0 59 -21,-0.5 3,-0.5 -19,-0.3 230,-0.2 0.860 107.9 54.3 -55.8 -36.2 8.7 21.5 42.1 76 77 A N T 4 S+ 0 0 0 1,-0.2 229,-2.1 -6,-0.1 2,-0.9 0.837 93.0 70.4 -70.8 -32.5 12.4 22.2 41.7 77 78 A I S < S+ 0 0 3 -4,-1.2 -39,-1.8 -3,-0.5 2,-0.3 -0.121 90.9 58.2 -87.6 44.1 13.0 19.9 38.7 78 79 A A E -D 37 0C 4 -2,-0.9 2,-1.2 -3,-0.5 -41,-0.2 -0.844 61.7-149.8-167.1 124.6 11.2 21.8 35.9 79 80 A L E +D 36 0C 6 -43,-0.9 -43,-1.9 -2,-0.3 -3,-0.1 -0.828 49.2 136.8 -96.9 91.4 11.7 25.3 34.6 80 81 A D + 0 0 83 -2,-1.2 2,-0.8 -45,-0.2 -1,-0.2 0.113 32.8 99.8-125.7 19.1 8.0 25.7 33.6 81 82 A D > + 0 0 59 1,-0.2 4,-2.5 -3,-0.1 5,-0.2 -0.804 43.1 176.9-108.6 88.0 7.3 29.3 34.8 82 83 A L H > S+ 0 0 34 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.859 79.5 54.3 -60.8 -38.5 7.6 31.4 31.6 83 84 A D H > S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 112.5 44.2 -62.8 -39.6 6.7 34.6 33.4 84 85 A L H > S+ 0 0 20 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.875 109.9 56.3 -71.7 -36.3 9.4 34.0 35.9 85 86 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.917 108.2 47.9 -60.5 -43.8 11.9 33.0 33.1 86 87 A I H X S+ 0 0 16 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.940 112.9 47.9 -62.5 -47.8 11.3 36.3 31.4 87 88 A A H X S+ 0 0 51 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.925 114.3 46.7 -58.7 -45.9 11.7 38.3 34.7 88 89 A E H >X S+ 0 0 4 -4,-3.0 4,-0.7 1,-0.2 3,-0.6 0.897 111.1 50.7 -65.9 -41.4 14.9 36.4 35.4 89 90 A V H >X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 3,-1.1 0.867 100.8 63.9 -65.7 -34.0 16.4 36.8 31.9 90 91 A K H 3X S+ 0 0 104 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.830 92.5 63.9 -59.3 -30.0 15.7 40.5 32.1 91 92 A Q H S+ 0 0 0 -3,-1.1 5,-2.7 -4,-0.7 3,-1.1 0.917 110.0 48.7 -69.5 -46.6 20.9 39.5 32.4 93 94 A A H ><5S+ 0 0 37 -4,-1.7 3,-1.8 1,-0.2 -2,-0.2 0.863 103.8 64.5 -61.8 -33.3 19.9 42.1 29.8 94 95 A A H 3<5S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.727 104.5 44.2 -63.1 -24.3 20.0 44.7 32.6 95 96 A V T <<5S- 0 0 51 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.110 136.9 -79.1-107.5 21.2 23.8 44.2 33.1 96 97 A G T < 5S+ 0 0 49 -3,-1.8 -69,-0.3 1,-0.3 -3,-0.2 0.404 76.0 155.2 102.2 -2.4 24.6 44.2 29.4 97 98 A G < + 0 0 7 -5,-2.7 -1,-0.3 -6,-0.2 -69,-0.2 -0.397 10.1 169.4 -62.9 128.8 23.5 40.7 28.4 98 99 A R + 0 0 103 -71,-2.9 27,-2.6 1,-0.3 2,-0.3 0.737 56.3 21.0-111.7 -33.6 22.6 40.4 24.7 99 100 A S E -bc 28 125B 0 -72,-1.9 -70,-1.8 25,-0.2 2,-0.4 -0.972 51.0-162.0-141.5 155.5 22.3 36.7 23.9 100 101 A I E -bc 29 126B 0 25,-2.7 27,-2.0 -2,-0.3 2,-0.7 -0.999 12.8-147.2-136.5 131.1 21.7 33.4 25.4 101 102 A V E - c 0 127B 0 -72,-2.9 -69,-2.0 -2,-0.4 27,-0.2 -0.885 14.4-163.2 -98.1 117.3 22.4 29.9 23.9 102 103 A D E - c 0 128B 3 25,-2.8 27,-1.7 -2,-0.7 -69,-0.1 -0.861 10.0-176.6-105.7 104.5 19.8 27.4 25.2 103 104 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 27,-0.1 0.203 32.6 138.6 -84.4 17.2 21.0 23.8 24.6 104 105 A T + 0 0 2 -72,-0.3 25,-0.3 -69,-0.1 2,-0.1 -0.478 32.9 173.8 -62.9 120.8 17.8 22.2 25.8 105 106 A C > > - 0 0 0 -2,-0.3 3,-1.4 69,-0.2 5,-1.2 -0.261 36.4 -35.8-115.3-157.5 17.2 19.4 23.3 106 107 A R B 3 5S+e 132 0D 67 25,-2.0 27,-1.1 1,-0.2 -1,-0.2 -0.444 123.4 25.1 -66.6 131.5 14.9 16.4 22.7 107 108 A G T 3 5S+ 0 0 37 -2,-0.2 -1,-0.2 25,-0.1 25,-0.1 0.060 113.7 65.8 104.7 -25.6 13.9 14.7 25.9 108 109 A I T < 5S- 0 0 5 -3,-1.4 -71,-1.9 -70,-0.1 -2,-0.1 0.128 118.5 -84.3-117.2 21.9 14.3 17.6 28.2 109 110 A G T 5 - 0 0 36 -73,-0.3 -3,-0.1 1,-0.2 -5,-0.1 0.762 52.6-179.6 90.1 26.8 11.6 20.0 27.0 110 111 A R < + 0 0 22 -5,-1.2 -1,-0.2 -7,-0.1 -3,-0.1 -0.373 7.9 176.7 -59.5 136.2 13.0 22.0 24.1 111 112 A D > - 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0 0 21 43,-0.1 3,-2.0 3,-0.1 4,-0.8 -0.177 67.6-105.8 -59.4 151.7 37.8 42.6 68.6 495 136 B A G >4 S+ 0 0 34 1,-0.3 3,-2.3 2,-0.2 -2,-0.1 0.892 115.8 56.5 -41.7 -62.2 38.8 46.2 69.3 496 137 B S G 34 S+ 0 0 89 1,-0.3 -1,-0.3 -96,-0.0 -2,-0.1 0.627 110.7 47.1 -52.2 -14.8 36.0 47.9 67.4 497 138 B S G <4 S+ 0 0 13 -3,-2.0 -1,-0.3 -31,-0.1 -2,-0.2 0.555 86.2 115.8-103.8 -11.5 33.5 46.0 69.6 498 139 B X S << S- 0 0 39 -3,-2.3 -31,-0.1 -4,-0.8 5,-0.1 -0.322 70.8-109.5 -64.7 137.7 35.2 46.7 72.9 499 140 B P > - 0 0 47 0, 0.0 3,-0.9 0, 0.0 4,-0.3 -0.211 23.9-116.6 -61.8 154.1 33.3 48.7 75.6 500 141 B E G > S+ 0 0 132 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.874 116.1 60.4 -59.5 -36.2 34.5 52.2 76.3 501 142 B T G >> S+ 0 0 60 1,-0.3 3,-1.4 2,-0.2 4,-0.9 0.777 87.3 72.0 -62.9 -29.9 35.2 51.0 79.9 502 143 B A G <4 S+ 0 0 4 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.652 84.2 71.3 -62.8 -15.0 37.7 48.4 78.6 503 144 B A G <4 S+ 0 0 80 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.824 99.6 44.5 -71.2 -31.8 40.1 51.2 77.8 504 145 B R T <4 S+ 0 0 171 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.722 94.6 98.8 -83.6 -23.4 40.8 51.8 81.5 505 146 B L < - 0 0 25 -4,-0.9 2,-0.1 4,-0.1 -3,-0.0 -0.385 64.7-143.7 -69.0 140.0 41.1 48.1 82.4 506 147 B S > - 0 0 47 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.439 32.9 -99.2 -93.2 173.6 44.6 46.6 82.7 507 148 B A H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.913 127.5 48.2 -60.7 -39.7 45.5 43.1 81.6 508 149 B D H > S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.861 107.2 54.4 -69.6 -34.2 45.1 42.0 85.2 509 150 B D H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 109.1 49.5 -65.6 -37.2 41.8 43.8 85.7 510 151 B I H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.905 110.3 49.9 -66.7 -41.1 40.5 41.8 82.7 511 152 B A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.922 108.7 53.6 -62.8 -42.7 41.8 38.6 84.2 512 153 B D H X S+ 0 0 73 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.893 106.6 51.7 -59.3 -40.8 40.1 39.5 87.5 513 154 B E H X S+ 0 0 43 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.921 111.5 47.1 -62.2 -43.6 36.7 40.0 85.7 514 155 B I H X S+ 0 0 2 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.886 109.9 52.3 -65.5 -40.8 37.1 36.6 84.1 515 156 B V H X S+ 0 0 9 -4,-2.5 4,-1.8 1,-0.2 5,-0.3 0.888 107.1 54.0 -62.8 -38.9 38.0 34.9 87.3 516 157 B A H X>S+ 0 0 31 -4,-2.1 4,-2.4 1,-0.2 5,-1.5 0.840 107.9 49.1 -64.9 -34.1 34.9 36.4 89.0 517 158 B E H <5S+ 0 0 8 -4,-1.4 12,-1.7 3,-0.2 -1,-0.2 0.724 111.5 50.4 -78.5 -21.7 32.6 35.0 86.3 518 159 B A H <5S+ 0 0 0 -4,-1.2 -2,-0.2 10,-0.2 -1,-0.2 0.796 124.4 26.3 -84.2 -30.4 34.2 31.6 86.7 519 160 B L H <5S+ 0 0 59 -4,-1.8 -2,-0.2 2,-0.2 -3,-0.2 0.791 135.0 16.9-103.9 -33.3 33.8 31.5 90.5 520 161 B E T <5S- 0 0 147 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.853 106.9 -72.6-105.0 -67.0 30.9 33.7 91.4 521 162 B G < - 0 0 17 -5,-1.5 2,-0.4 7,-0.0 -1,-0.3 -0.973 35.8-105.0 178.8 177.7 28.5 34.5 88.5 522 163 B T S > S- 0 0 2 5,-0.7 3,-2.5 -2,-0.3 5,-0.4 -0.976 80.3 -9.5-133.5 142.4 28.0 36.5 85.4 523 164 B D T 3 S- 0 0 115 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.853 129.8 -46.3 44.7 47.4 26.1 39.6 84.3 524 165 B G T 3 S+ 0 0 91 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.427 122.8 97.9 81.5 -3.2 24.2 39.9 87.6 525 166 B T S < S- 0 0 36 -3,-2.5 -1,-0.3 2,-0.2 -3,-0.3 -0.551 80.7-119.8-109.6 176.9 23.3 36.1 87.6 526 167 B D S S+ 0 0 108 -5,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.226 73.3 121.9-100.3 12.0 24.9 33.1 89.4 527 168 B A - 0 0 1 -5,-0.4 -5,-0.7 -150,-0.0 2,-0.3 -0.605 51.6-152.7 -75.1 132.2 25.6 31.5 86.0 528 169 B R - 0 0 67 -153,-0.4 -40,-0.4 -2,-0.3 -10,-0.2 -0.781 14.1-108.5-109.8 153.8 29.3 30.8 85.8 529 170 B I - 0 0 0 -12,-1.7 -40,-0.2 -2,-0.3 3,-0.1 -0.419 18.9-169.3 -78.0 154.5 31.5 30.5 82.7 530 171 B G S S+ 0 0 1 -42,-2.2 2,-0.3 1,-0.3 -156,-0.2 0.393 74.5 31.4-121.0 -4.1 32.9 27.2 81.5 531 172 B L S S- 0 0 0 -43,-1.4 2,-0.9 30,-0.1 -1,-0.3 -0.984 74.1-127.2-151.6 149.9 35.3 28.5 78.9 532 173 B I E -q 563 0L 0 30,-2.6 32,-2.3 -2,-0.3 2,-0.5 -0.843 60.1 -77.4 -99.1 98.7 37.3 31.7 78.5 533 174 B G E -q 564 0L 0 -2,-0.9 32,-0.2 1,-0.2 -44,-0.1 -0.807 18.0 -95.7 156.9-173.6 36.5 33.1 75.2 534 175 B E E - 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0 0 1 -6,-0.4 -1,-0.3 -194,-0.2 -30,-0.1 -0.541 60.1 -90.1 -88.8 156.6 39.5 26.9 82.3 562 203 B P - 0 0 1 0, 0.0 -30,-2.6 0, 0.0 2,-0.4 -0.225 37.9-138.1 -61.8 155.1 40.0 26.3 78.5 563 204 B L E -qr 532 591L 0 27,-2.7 29,-3.3 24,-0.2 2,-0.5 -0.974 15.1-168.4-122.0 129.3 41.0 29.3 76.4 564 205 B X E -qr 533 592L 0 -32,-2.3 -30,-2.2 -2,-0.4 -29,-2.0 -0.971 5.2-164.2-121.1 127.1 39.5 30.0 73.0 565 206 B V E -qr 535 593L 0 27,-3.2 29,-3.0 -2,-0.5 2,-0.4 -0.942 15.7-136.2-119.9 127.3 41.0 32.6 70.6 566 207 B H - 0 0 23 -31,-2.4 -29,-0.4 -2,-0.5 29,-0.1 -0.601 27.6-163.9 -75.8 128.6 39.4 34.2 67.6 567 208 B L - 0 0 4 -2,-0.4 2,-1.6 27,-0.3 3,-0.1 -0.827 31.2-117.4-113.7 143.4 41.9 34.4 64.7 568 209 B P > - 0 0 16 0, 0.0 3,-2.2 0, 0.0 5,-0.4 -0.835 37.3-159.9 -72.2 80.8 41.8 36.4 61.6 569 210 B G T 3 S+ 0 0 6 -2,-1.6 5,-0.1 1,-0.3 26,-0.0 0.758 81.4 58.3 -37.5 -35.0 41.6 33.2 59.6 570 211 B W T 3 S+ 0 0 67 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.372 106.1 59.6 -86.7 8.1 42.8 34.6 56.3 571 212 B F S < S- 0 0 103 -3,-2.2 3,-0.1 0, 0.0 -32,-0.0 -0.555 84.7-122.0-117.7-172.9 46.0 35.8 57.9 572 213 B R + 0 0 86 -2,-0.2 3,-0.2 1,-0.1 4,-0.2 -0.406 62.8 123.6-131.9 59.2 48.8 33.8 59.7 573 214 B L > + 0 0 34 -5,-0.4 4,-2.1 1,-0.2 3,-0.3 0.386 41.2 103.3 -97.8 2.1 49.0 35.2 63.3 574 215 B A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.860 78.8 50.0 -54.1 -44.7 48.4 31.9 65.1 575 216 B H H > S+ 0 0 40 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 111.1 49.7 -66.1 -34.7 52.0 31.3 66.1 576 217 B R H > S+ 0 0 117 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.876 110.7 51.8 -68.8 -35.7 52.3 34.8 67.5 577 218 B V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.940 111.9 44.7 -64.1 -48.6 49.1 34.2 69.4 578 219 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.844 107.8 59.1 -65.7 -33.7 50.4 31.0 70.9 579 220 B D H X S+ 0 0 75 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.914 110.0 43.9 -60.1 -41.9 53.8 32.7 71.7 580 221 B L H X S+ 0 0 8 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.925 112.9 49.1 -69.9 -46.3 51.9 35.2 73.9 581 222 B V H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-0.2 0.890 113.8 50.3 -60.0 -36.0 49.6 32.6 75.5 582 223 B E H ><5S+ 0 0 103 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.939 107.4 49.4 -68.3 -49.2 52.8 30.6 76.2 583 224 B E H 3<5S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.633 105.6 59.6 -68.3 -12.0 54.8 33.4 77.8 584 225 B E T 3<5S- 0 0 38 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.378 120.1-111.5 -93.5 2.7 51.9 34.2 80.0 585 226 B G T < 5 + 0 0 55 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.579 66.6 149.2 80.7 10.6 52.2 30.7 81.4 586 227 B A < - 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0 0 20 1,-0.1 3,-2.0 43,-0.1 4,-0.9 -0.243 68.4-104.9 -61.9 150.3 73.9 0.8 63.7 854 136 C A G >4 S+ 0 0 20 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.835 118.6 58.8 -41.9 -47.5 73.4 -2.8 64.9 855 137 C S G 34 S+ 0 0 93 1,-0.3 -1,-0.3 -95,-0.0 -2,-0.1 0.761 107.4 46.2 -58.0 -29.1 75.7 -4.2 62.2 856 138 C S G <4 S+ 0 0 9 -3,-2.0 -1,-0.3 -31,-0.1 -2,-0.2 0.600 85.6 115.1 -91.2 -12.3 78.6 -2.1 63.4 857 139 C X << - 0 0 28 -3,-1.1 -31,-0.1 -4,-0.9 5,-0.1 -0.354 68.4-117.4 -64.0 133.0 78.2 -2.8 67.1 858 140 C P >> - 0 0 50 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.283 26.3-104.0 -70.1 154.7 81.0 -4.8 68.7 859 141 C E G >4 S+ 0 0 135 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.818 119.2 58.1 -41.7 -42.4 80.6 -8.2 70.3 860 142 C T G >> S+ 0 0 82 1,-0.2 3,-1.2 2,-0.1 4,-0.5 0.725 86.6 74.8 -65.8 -27.5 80.7 -6.7 73.8 861 143 C A G X4 S+ 0 0 1 -3,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.829 82.2 70.3 -57.8 -33.7 77.7 -4.3 73.3 862 144 C A G << S+ 0 0 76 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.1 0.815 99.0 47.5 -54.2 -35.4 75.2 -7.1 73.5 863 145 C R G <4 S+ 0 0 163 -3,-1.2 -1,-0.3 -4,-0.3 2,-0.2 0.613 93.4 101.8 -83.5 -12.6 75.9 -7.5 77.3 864 146 C L << - 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0 0 18 -5,-2.2 -1,-0.3 -8,-0.1 -2,-0.1 -0.535 44.8-141.1 -72.6 134.7 57.1 1.5 33.9 1411 334 D D > - 0 0 94 -2,-0.2 4,-1.7 1,-0.1 3,-0.2 -0.267 29.4 -92.9 -86.5 177.9 57.0 -2.1 32.8 1412 335 D D H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.820 123.9 59.0 -60.7 -34.1 59.2 -3.9 30.2 1413 336 D A H > S+ 0 0 62 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 106.5 48.5 -62.1 -43.5 56.8 -3.2 27.4 1414 337 D A H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.871 108.9 51.9 -64.8 -37.4 57.2 0.5 28.1 1415 338 D L H X S+ 0 0 13 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.867 109.8 50.1 -67.4 -35.1 61.0 0.3 28.2 1416 339 D E H X>S+ 0 0 102 -4,-2.0 4,-2.0 2,-0.2 5,-1.7 0.888 109.8 51.4 -67.6 -39.6 60.9 -1.4 24.8 1417 340 D T H <>S+ 0 0 30 -4,-2.1 5,-3.3 3,-0.2 -2,-0.2 0.927 111.6 48.2 -62.4 -44.1 58.6 1.4 23.5 1418 341 D L H <5S+ 0 0 1 -4,-2.4 -42,-0.4 1,-0.2 -2,-0.2 0.889 121.6 30.2 -65.1 -43.5 61.0 4.0 24.7 1419 342 D X H <5S+ 0 0 1 -4,-2.2 -313,-2.8 -5,-0.1 -1,-0.2 0.617 137.0 12.8 -95.8 -13.5 64.3 2.6 23.3 1420 343 D V T X5S+ 0 0 29 -4,-2.0 4,-1.8 -315,-0.2 -3,-0.2 0.668 123.4 43.6-126.0 -59.1 63.1 0.8 20.2 1421 344 D T H > S+ 0 0 1 0, 0.0 4,-1.2 0, 0.0 3,-0.2 0.920 111.7 49.4 -55.3 -39.7 62.9 5.8 17.8 1424 347 D R H X S+ 0 0 83 -4,-1.8 4,-2.3 1,-0.2 3,-0.4 0.910 106.4 56.4 -64.8 -38.8 61.5 3.8 14.9 1425 348 D R H < S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.2 0.809 99.3 60.9 -61.4 -31.7 58.4 6.0 15.0 1426 349 D V H < S+ 0 0 0 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.919 118.2 27.7 -60.6 -43.2 60.6 9.1 14.6 1427 350 D F H < S+ 0 0 3 -4,-1.2 2,-0.5 -3,-0.4 -338,-0.3 0.630 120.0 56.4 -94.5 -17.6 61.8 7.8 11.2 1428 351 D D >< - 0 0 6 -4,-2.3 3,-1.3 -5,-0.2 -341,-0.2 -0.922 53.4-170.4-126.2 110.3 58.8 5.7 10.1 1429 352 D A T 3 S+ 0 0 33 -343,-3.7 -342,-0.1 -2,-0.5 -1,-0.1 0.597 82.5 71.9 -70.6 -10.8 55.3 7.2 9.8 1430 353 D S T 3 + 0 0 87 -344,-0.4 2,-0.4 2,-0.1 -1,-0.2 0.588 70.0 106.0 -82.3 -9.8 53.8 3.7 9.3 1431 354 D I S < S- 0 0 26 -3,-1.3 -3,-0.0 -7,-0.1 -10,-0.0 -0.584 77.5-118.0 -74.1 123.5 54.3 2.7 12.9 1432 355 D E 0 0 149 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.169 360.0 360.0 -58.5 153.5 51.0 2.7 14.8 1433 356 D G 0 0 77 -8,-0.0 -1,-0.1 0, 0.0 -8,-0.0 0.303 360.0 360.0 -88.3 360.0 50.6 5.1 17.7