==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-APR-02 1GY9 . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.M.ELKINS,N.I.BURZLAFF,M.J.RYLE,J.S.LLOYD,I.J.CLIFTON,J.E.B . 554 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 24.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 42 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 1 3 0 3 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 10 0 4 8 4 2 2 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 . 0 4 2 0 0 0 0 2 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 R 0 0 269 0, 0.0 2,-0.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 114.4 42.4 35.3 22.4 2 5 A L - 0 0 14 1,-0.1 2,-0.7 26,-0.1 15,-0.2 -0.497 360.0-122.0 -61.0 146.4 39.6 36.4 24.7 3 6 A S E -A 16 0A 55 13,-1.4 13,-1.5 -2,-0.1 2,-0.5 -0.848 32.1-172.0 -96.7 123.5 39.2 40.0 25.2 4 7 A I E -A 15 0A 62 -2,-0.7 11,-0.2 11,-0.2 38,-0.0 -0.961 8.5-173.5-119.2 121.8 39.5 40.9 28.9 5 8 A T E -A 14 0A 87 9,-3.4 9,-2.2 -2,-0.5 -2,-0.0 -0.928 20.4-138.2-119.4 112.0 38.9 44.4 30.2 6 9 A P E -A 13 0A 71 0, 0.0 7,-0.3 0, 0.0 6,-0.1 -0.366 6.8-159.3 -61.7 145.5 39.6 44.9 33.9 7 10 A L S S- 0 0 70 5,-2.2 6,-0.2 1,-0.2 5,-0.1 0.346 71.9 -4.1-106.3 -4.7 37.0 47.0 35.7 8 11 A G S S- 0 0 26 4,-0.7 -1,-0.2 2,-0.2 225,-0.0 -0.979 75.7 -94.2-170.8 172.8 39.4 48.0 38.5 9 12 A P S S+ 0 0 119 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.908 118.6 18.4 -66.3 -38.2 42.8 47.5 40.0 10 13 A Y S S+ 0 0 116 220,-0.2 -2,-0.2 1,-0.2 -3,-0.2 -0.271 123.9 21.7-102.7-159.5 41.6 44.7 42.4 11 14 A I S S+ 0 0 2 -2,-0.1 -1,-0.2 220,-0.1 -4,-0.1 0.627 88.2 34.6 3.1 129.6 38.3 43.0 41.4 12 15 A G - 0 0 0 29,-0.1 -5,-2.2 -5,-0.1 -4,-0.7 0.408 37.6-178.0 93.4 146.1 36.2 42.7 38.2 13 16 A A E -Ab 6 42A 0 28,-0.9 30,-2.0 -7,-0.3 2,-0.3 -0.938 18.0-140.3-167.1 151.2 36.6 42.3 34.5 14 17 A Q E -Ab 5 43A 69 -9,-2.2 -9,-3.4 -2,-0.3 2,-0.3 -0.893 25.0-172.9-111.5 144.8 34.4 42.0 31.4 15 18 A I E -A 4 0A 5 28,-2.3 30,-0.5 -2,-0.3 2,-0.3 -0.985 15.3-173.2-142.0 150.3 35.3 39.6 28.6 16 19 A S E +A 3 0A 76 -13,-1.5 -13,-1.4 -2,-0.3 3,-0.1 -0.904 49.2 93.5-140.1 112.3 34.1 38.7 25.2 17 20 A G + 0 0 40 -2,-0.3 2,-0.2 -15,-0.2 -1,-0.1 0.346 62.7 94.5-159.0 -11.2 35.3 35.9 23.2 18 21 A A - 0 0 16 10,-0.1 2,-0.5 -3,-0.0 -1,-0.2 -0.474 49.9-160.1 -95.5 153.4 33.0 33.1 23.8 19 22 A D - 0 0 72 -2,-0.2 3,-0.4 4,-0.1 28,-0.1 -0.960 31.1-176.9-118.6 97.5 29.9 31.7 22.1 20 23 A L + 0 0 7 -2,-0.5 37,-0.1 1,-0.2 4,-0.1 0.430 67.2 75.5-100.7 3.4 28.7 29.8 25.1 21 24 A T S S+ 0 0 66 28,-0.1 -1,-0.2 2,-0.1 29,-0.1 0.933 105.4 69.6 -54.5 -37.2 25.6 27.9 24.5 22 25 A R S S- 0 0 52 -3,-0.4 2,-0.3 1,-0.1 -3,-0.0 -0.034 100.6 -95.0 -76.1 159.8 28.6 26.1 22.9 23 26 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.605 39.8-119.7 -73.1 140.2 31.5 24.2 24.6 24 27 A L - 0 0 12 -2,-0.3 2,-0.1 -4,-0.1 -6,-0.0 -0.661 23.1-111.6 -88.5 135.4 34.7 26.1 25.1 25 28 A S >> - 0 0 57 -2,-0.4 4,-2.5 1,-0.1 3,-1.4 -0.378 32.7-113.9 -58.3 125.5 38.0 25.1 23.6 26 29 A D H 3> S+ 0 0 137 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.838 118.9 56.8 -24.3 -52.2 40.3 23.8 26.3 27 30 A N H 3> S+ 0 0 99 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.901 108.6 41.3 -57.9 -45.4 42.4 26.9 25.4 28 31 A Q H <> S+ 0 0 47 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.871 109.9 59.1 -72.9 -32.9 39.7 29.4 26.0 29 32 A F H X S+ 0 0 19 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.899 105.7 50.4 -64.1 -38.0 38.5 27.7 29.1 30 33 A E H X S+ 0 0 100 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.892 108.6 50.6 -67.3 -36.3 42.0 28.2 30.6 31 34 A Q H X S+ 0 0 46 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.895 117.3 41.4 -64.9 -38.3 42.0 32.0 29.7 32 35 A L H X S+ 0 0 3 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.953 113.2 51.6 -68.9 -55.9 38.7 32.4 31.4 33 36 A Y H X S+ 0 0 59 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.941 114.2 45.2 -46.2 -55.4 39.5 30.1 34.3 34 37 A H H >X S+ 0 0 103 -4,-2.7 4,-2.4 1,-0.2 3,-1.2 0.915 110.7 54.0 -58.0 -39.7 42.6 32.2 34.8 35 38 A A H 3X S+ 0 0 5 -4,-1.8 4,-2.4 1,-0.3 -1,-0.2 0.887 102.8 56.7 -63.2 -40.3 40.7 35.4 34.4 36 39 A V H 3< S+ 0 0 10 -4,-3.1 210,-0.3 1,-0.2 -1,-0.3 0.703 112.4 43.6 -64.1 -17.7 38.2 34.4 37.1 37 40 A L H << S+ 0 0 34 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.865 115.7 42.8 -95.5 -42.8 41.1 34.0 39.5 38 41 A R H < S+ 0 0 198 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.975 127.2 34.3 -64.7 -57.6 43.1 37.1 38.7 39 42 A H S < S- 0 0 15 -4,-2.4 3,-0.1 -5,-0.3 -28,-0.1 -0.378 88.6-143.0 -84.4 171.4 40.0 39.1 38.6 40 43 A Q S S+ 0 0 9 1,-0.5 206,-3.0 -2,-0.1 2,-0.3 0.661 81.9 28.6-114.5 -16.9 37.7 37.7 41.2 41 44 A V E - C 0 245A 0 204,-0.2 -28,-0.9 -6,-0.1 -1,-0.5 -0.992 68.3-166.5-133.7 145.3 34.5 38.2 39.1 42 45 A V E -bC 13 244A 0 202,-2.5 202,-2.6 -2,-0.3 2,-0.4 -0.957 5.6-153.8-134.0 148.3 34.1 38.3 35.4 43 46 A F E -bC 14 243A 0 -30,-2.0 -28,-2.3 -2,-0.4 2,-0.4 -0.974 8.6-175.7-126.4 131.5 31.2 39.5 33.3 44 47 A L E - C 0 242A 4 198,-2.9 198,-3.1 -2,-0.4 3,-0.2 -0.993 13.3-151.4-125.9 134.1 30.3 38.3 29.8 45 48 A R + 0 0 51 -30,-0.5 196,-0.2 -2,-0.4 195,-0.1 -0.578 66.4 28.6-104.6 168.9 27.4 39.9 27.8 46 49 A D S S+ 0 0 126 193,-0.5 2,-0.3 -2,-0.2 -1,-0.2 0.943 70.2 140.9 53.3 59.1 25.1 38.5 25.1 47 50 A Q - 0 0 17 193,-2.3 2,-2.2 -3,-0.2 -1,-0.2 -0.703 27.6-175.0-131.2 80.6 25.2 34.8 26.2 48 51 A A + 0 0 71 -2,-0.3 2,-0.1 191,-0.1 193,-0.1 -0.461 26.9 159.7 -79.9 72.6 21.7 33.5 25.7 49 52 A I - 0 0 9 -2,-2.2 -28,-0.1 191,-0.1 191,-0.1 -0.417 35.7-124.4 -91.8 169.8 22.3 30.1 27.2 50 53 A T > - 0 0 73 -2,-0.1 4,-1.4 -29,-0.1 5,-0.2 -0.620 30.7-105.2-108.2 164.5 20.0 27.4 28.6 51 54 A P H > S+ 0 0 32 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.894 120.9 50.4 -55.0 -47.9 20.1 25.9 32.0 52 55 A Q H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.942 111.4 47.5 -56.0 -49.6 21.5 22.6 30.6 53 56 A Q H > S+ 0 0 22 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.755 112.2 51.2 -71.9 -16.9 24.2 24.5 28.7 54 57 A Q H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.870 107.0 52.7 -82.2 -40.3 25.0 26.5 31.8 55 58 A R H X S+ 0 0 70 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.902 106.4 54.8 -60.8 -38.9 25.3 23.4 33.9 56 59 A A H X S+ 0 0 52 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.906 108.0 47.3 -59.9 -48.8 27.8 22.0 31.4 57 60 A L H >< S+ 0 0 16 -4,-1.3 3,-0.9 2,-0.2 4,-0.5 0.919 109.4 54.1 -62.0 -45.3 30.1 25.0 31.7 58 61 A A H >X S+ 0 0 0 -4,-2.5 3,-3.8 1,-0.3 4,-0.8 0.967 102.5 58.3 -54.4 -50.1 30.0 24.9 35.5 59 62 A Q H >< S+ 0 0 105 -4,-2.7 3,-0.6 1,-0.3 -1,-0.3 0.807 91.9 67.9 -50.9 -32.4 31.1 21.3 35.3 60 63 A R T << S+ 0 0 96 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.738 104.6 46.5 -57.4 -19.1 34.2 22.4 33.5 61 64 A F T <4 S- 0 0 44 -3,-3.8 2,-0.3 -4,-0.5 -1,-0.2 0.657 127.0 -78.2 -98.2 -18.2 35.0 24.0 36.8 62 65 A G S << S- 0 0 31 -4,-0.8 -1,-0.4 -3,-0.6 2,-0.1 -0.934 70.2 -26.3 153.1-171.6 34.2 21.1 39.1 63 66 A E - 0 0 153 -2,-0.3 208,-2.3 208,-0.2 2,-0.2 -0.431 63.2-122.8 -68.8 151.0 31.4 19.2 40.7 64 67 A L B -D 270 0A 25 206,-0.3 2,-0.4 -2,-0.1 206,-0.2 -0.592 13.3-139.1 -95.9 159.5 28.2 21.1 41.4 65 68 A H - 0 0 24 204,-2.0 2,-0.5 -2,-0.2 204,-0.4 -0.916 11.6-136.8-116.9 139.7 26.4 21.6 44.7 66 69 A I - 0 0 92 -2,-0.4 12,-0.1 202,-0.1 13,-0.1 -0.874 20.4-126.9-102.4 126.8 22.7 21.4 45.1 67 70 A H - 0 0 16 -2,-0.5 12,-0.0 10,-0.3 5,-0.0 -0.477 10.8-144.2 -70.1 138.6 21.1 24.1 47.3 68 71 A P S S+ 0 0 48 0, 0.0 106,-0.2 0, 0.0 -1,-0.1 0.524 91.1 22.4 -83.7 -4.6 18.9 22.6 50.0 69 72 A V S S+ 0 0 39 2,-0.1 -2,-0.0 105,-0.1 101,-0.0 0.715 97.8 85.7-124.1 -56.5 16.3 25.3 49.9 70 73 A Y S S- 0 0 34 1,-0.1 12,-0.1 10,-0.0 -3,-0.1 -0.126 79.3-108.5 -57.9 146.4 16.2 27.3 46.6 71 74 A P - 0 0 80 0, 0.0 10,-3.0 0, 0.0 2,-0.2 -0.372 33.3-136.1 -76.0 157.5 14.1 25.9 43.7 72 75 A H B -E 80 0A 96 8,-0.3 8,-0.2 1,-0.2 5,-0.2 -0.562 21.4 -89.2-109.3 173.7 15.8 24.4 40.7 73 76 A A - 0 0 8 6,-1.9 3,-0.5 3,-1.2 -1,-0.2 -0.135 59.1 -73.2 -73.9 176.1 15.4 24.7 36.9 74 77 A E S S- 0 0 104 1,-0.2 -2,-0.1 3,-0.0 3,-0.0 0.871 115.7 -15.7 -34.5 -84.7 13.1 22.4 34.8 75 78 A G S S+ 0 0 61 1,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.117 120.1 89.7-122.0 36.7 15.0 19.1 34.7 76 79 A V > + 0 0 11 -3,-0.5 -3,-1.2 3,-0.2 3,-1.0 -0.885 47.3 179.2-134.3 94.4 18.4 20.5 35.9 77 80 A D T 3 S+ 0 0 74 -2,-0.4 -10,-0.3 1,-0.2 -1,-0.1 0.584 77.2 66.6 -78.7 -8.4 18.6 20.3 39.7 78 81 A E T 3 S+ 0 0 42 -12,-0.1 191,-0.7 1,-0.1 2,-0.6 0.654 88.5 74.1 -85.0 -18.9 22.1 21.7 39.7 79 82 A I E < S- F 0 268A 0 -3,-1.0 -6,-1.9 189,-0.2 2,-0.2 -0.880 76.9-144.5-102.7 119.1 20.9 25.1 38.4 80 83 A I E -EF 72 267A 5 187,-2.7 187,-2.0 -2,-0.6 2,-0.6 -0.544 6.1-140.5 -83.5 141.2 19.1 27.3 41.0 81 84 A V E - F 0 266A 25 -10,-3.0 2,-0.7 -2,-0.2 185,-0.2 -0.885 13.8-172.9-108.6 126.5 16.3 29.5 40.0 82 85 A L E + F 0 265A 23 183,-2.9 183,-2.1 -2,-0.6 2,-0.8 -0.831 13.4 168.0-113.8 88.6 15.9 32.9 41.6 83 86 A D E - F 0 264A 30 -2,-0.7 2,-0.3 181,-0.2 181,-0.2 -0.901 14.9-174.3-103.2 104.1 12.6 34.3 40.4 84 87 A T E + F 0 263A 7 179,-2.9 179,-2.0 -2,-0.8 2,-0.3 -0.795 22.2 118.2-107.1 146.1 11.9 37.4 42.6 85 88 A H B > S-I 88 0B 37 3,-1.0 3,-1.7 -2,-0.3 176,-0.1 -0.922 77.8 -56.4-180.0-170.7 8.7 39.5 42.6 86 89 A N T 3 S+ 0 0 102 174,-0.5 175,-0.1 1,-0.3 176,-0.0 0.838 133.2 50.1 -62.8 -34.5 6.0 40.5 45.0 87 90 A D T 3 S+ 0 0 158 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.591 128.0 25.2 -79.9 -6.5 5.0 36.9 45.8 88 91 A N B < S-I 85 0B 77 -3,-1.7 -3,-1.0 2,-0.0 -1,-0.3 -0.503 85.6-158.4-154.1 75.0 8.7 36.2 46.5 89 92 A P - 0 0 77 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.231 32.2 -92.2 -64.2 146.4 10.6 39.3 47.5 90 93 A P - 0 0 21 0, 0.0 3,-0.2 0, 0.0 169,-0.0 -0.358 34.8-175.7 -64.0 134.0 14.4 39.3 47.0 91 94 A D + 0 0 37 1,-0.1 165,-0.1 -3,-0.1 163,-0.0 0.130 62.6 87.2-111.7 14.9 16.5 38.1 50.0 92 95 A N + 0 0 29 1,-0.1 162,-2.7 162,-0.1 2,-1.8 0.321 49.3 107.7-104.9 15.6 20.1 38.8 48.6 93 96 A D + 0 0 66 160,-0.2 2,-0.3 -3,-0.2 -1,-0.1 -0.437 64.8 81.3 -87.9 60.9 20.5 42.4 49.5 94 97 A N S S- 0 0 35 -2,-1.8 158,-0.2 158,-0.2 160,-0.1 -0.900 93.0 -94.9-164.6 135.0 23.0 41.6 52.2 95 98 A W + 0 0 23 -2,-0.3 107,-0.8 158,-0.1 2,-0.3 -0.399 61.2 147.8 -62.2 126.3 26.7 40.9 51.9 96 99 A H B -J 252 0C 6 156,-1.7 156,-2.6 105,-0.2 2,-0.4 -0.952 45.4-135.6-154.3 161.7 27.3 37.1 51.8 97 100 A T > - 0 0 2 -2,-0.3 3,-0.9 154,-0.2 2,-0.1 -0.976 51.2 -96.5-120.9 138.3 29.5 34.4 50.4 98 101 A D T 3 S- 0 0 6 -2,-0.4 10,-0.0 1,-0.3 149,-0.0 -0.322 88.0 -17.3 -74.9 130.6 27.5 31.6 49.0 99 102 A V T > + 0 0 3 1,-0.1 3,-0.7 6,-0.1 -1,-0.3 0.858 69.8 156.0 52.3 53.7 26.9 28.6 51.1 100 103 A T T < + 0 0 0 -3,-0.9 -1,-0.1 1,-0.2 -2,-0.1 0.426 59.3 85.2 -84.8 7.1 29.6 29.1 53.7 101 104 A F T 3 S+ 0 0 2 50,-0.1 2,-0.3 3,-0.1 -1,-0.2 0.173 78.6 75.8 -93.0 13.8 27.5 27.0 56.0 102 105 A I S < S- 0 0 21 -3,-0.7 76,-0.1 1,-0.1 79,-0.1 -0.915 89.6-116.3-118.8 156.5 28.9 23.8 54.6 103 106 A E S S+ 0 0 61 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.864 113.8 35.5 -46.0 -43.7 32.3 22.3 55.3 104 107 A T S S- 0 0 40 170,-0.2 168,-0.7 168,-0.0 -1,-0.3 -0.640 85.1-165.5-125.3 72.2 33.3 22.7 51.7 105 108 A P - 0 0 0 0, 0.0 167,-0.2 0, 0.0 -5,-0.1 -0.185 37.4 -76.0 -62.3 152.9 31.7 25.9 50.5 106 109 A P - 0 0 1 0, 0.0 165,-0.3 0, 0.0 3,-0.1 -0.219 24.6-150.8 -59.1 138.1 31.6 26.6 46.8 107 110 A A S S- 0 0 14 163,-1.9 140,-0.9 1,-0.2 141,-0.7 0.695 76.5 -18.3 -82.6 -23.8 34.7 27.7 44.8 108 111 A G E -GH 246 270A 7 162,-1.4 162,-3.7 138,-0.3 2,-0.3 -0.986 53.1-147.0-166.7 177.6 32.5 29.5 42.4 109 112 A A E -GH 245 269A 2 136,-1.2 136,-1.7 -2,-0.3 2,-0.5 -0.960 12.3-140.3-147.6 157.9 29.2 30.2 40.8 110 113 A I E -GH 244 268A 0 158,-3.3 158,-2.0 -2,-0.3 2,-0.5 -0.963 17.6-162.9-127.1 119.4 27.9 31.1 37.4 111 114 A L E -GH 243 267A 14 132,-3.6 132,-3.4 -2,-0.5 2,-0.5 -0.875 2.8-166.8-111.1 128.7 25.0 33.6 37.2 112 115 A A E -GH 242 266A 2 154,-2.7 154,-2.3 -2,-0.5 2,-1.0 -0.935 18.5-136.6-115.0 128.3 22.9 34.0 34.1 113 116 A A E + H 0 265A 0 128,-3.1 127,-2.8 -2,-0.5 128,-0.3 -0.716 33.8 163.5 -89.2 105.7 20.6 37.0 33.8 114 117 A K E + 0 0 52 150,-1.8 2,-0.4 -2,-1.0 151,-0.2 0.930 63.2 10.6 -87.9 -54.3 17.4 35.6 32.3 115 118 A E E S- H 0 264A 108 149,-2.3 149,-3.2 124,-0.1 -1,-0.3 -0.983 72.1-169.8-137.6 126.2 14.7 38.1 32.9 116 119 A L - 0 0 40 -2,-0.4 146,-0.2 147,-0.2 147,-0.1 -0.760 19.7-124.9-122.5 155.6 15.2 41.7 34.1 117 120 A P - 0 0 13 0, 0.0 3,-0.1 0, 0.0 142,-0.1 -0.424 47.4 -92.1 -82.5 168.5 13.4 44.8 35.3 118 121 A S S S- 0 0 96 1,-0.1 2,-0.3 140,-0.1 140,-0.0 0.893 100.2 -26.7 -45.9 -52.6 13.7 48.2 33.7 119 122 A T S S+ 0 0 106 139,-0.1 2,-0.2 138,-0.1 -1,-0.1 -0.956 102.0 60.9-154.0 173.0 16.5 49.1 36.1 120 123 A G + 0 0 21 -2,-0.3 117,-0.2 -3,-0.1 138,-0.1 -0.448 50.7 105.6 96.3-177.2 17.8 48.2 39.5 121 124 A G + 0 0 0 1,-0.2 114,-0.1 -2,-0.2 -1,-0.1 0.529 48.1 166.3 80.9 9.3 18.9 44.8 40.5 122 125 A D - 0 0 13 132,-0.1 133,-2.8 114,-0.1 2,-0.4 -0.260 22.8-151.4 -58.2 145.7 22.5 45.6 40.4 123 126 A T E -KL 235 254C 3 112,-1.1 112,-3.0 131,-0.2 2,-0.3 -0.949 9.0-161.6-118.9 141.1 24.8 43.1 42.0 124 127 A L E -KL 234 253C 15 129,-3.0 129,-2.0 -2,-0.4 2,-0.4 -0.893 4.1-156.2-123.7 153.5 28.1 44.0 43.6 125 128 A W E -KL 233 252C 0 108,-2.6 108,-2.0 -2,-0.3 2,-0.4 -0.967 5.1-156.7-127.4 148.1 31.2 41.9 44.6 126 129 A T E -KL 232 251C 1 125,-2.2 125,-1.3 -2,-0.4 2,-0.7 -0.975 20.0-123.6-129.0 135.1 33.8 42.7 47.2 127 130 A S E > - L 0 250C 1 104,-2.8 4,-1.8 -2,-0.4 123,-0.2 -0.678 13.0-165.5 -84.7 113.3 37.3 41.4 47.2 128 131 A G H > S+ 0 0 5 121,-2.9 69,-2.2 -2,-0.7 4,-1.8 0.768 91.9 56.8 -60.0 -27.4 38.4 39.5 50.3 129 132 A I H > S+ 0 0 17 120,-0.7 4,-2.6 67,-0.3 3,-0.2 0.981 108.4 44.4 -66.2 -52.0 42.0 39.7 49.1 130 133 A A H > S+ 0 0 6 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.805 112.4 52.7 -64.8 -34.3 41.9 43.5 48.8 131 134 A A H < S+ 0 0 0 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.853 109.5 48.9 -68.8 -39.0 40.2 43.8 52.2 132 135 A Y H >< S+ 0 0 30 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.960 109.3 52.7 -60.8 -47.9 42.8 41.7 53.9 133 136 A E H 3< S+ 0 0 109 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.763 104.5 58.0 -60.4 -25.9 45.6 43.7 52.2 134 137 A A T 3< S+ 0 0 49 -4,-1.1 -1,-0.3 -5,-0.2 2,-0.3 0.535 85.6 96.9 -81.6 -12.4 44.0 46.8 53.6 135 138 A L S < S- 0 0 7 -3,-2.0 5,-0.1 -4,-0.4 -3,-0.0 -0.598 82.8-110.7 -74.7 142.2 44.2 45.7 57.3 136 139 A S > - 0 0 62 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.265 34.9-103.9 -60.4 159.3 47.1 46.9 59.3 137 140 A V H > S+ 0 0 80 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.917 120.6 53.3 -55.9 -50.3 49.6 44.3 60.2 138 141 A P H > S+ 0 0 80 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.947 110.9 49.5 -56.3 -41.0 48.5 43.9 63.8 139 142 A F H > S+ 0 0 67 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.889 109.3 50.3 -61.7 -38.7 45.0 43.3 62.5 140 143 A R H X S+ 0 0 74 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.869 113.4 47.2 -65.9 -39.8 46.3 40.7 60.0 141 144 A Q H < S+ 0 0 144 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.828 112.7 48.9 -66.6 -35.1 48.1 39.1 62.9 142 145 A L H < S+ 0 0 68 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.973 118.7 38.1 -68.8 -42.9 45.0 39.2 65.1 143 146 A L H >< S+ 0 0 0 -4,-2.8 3,-2.5 -5,-0.2 42,-0.4 0.868 93.3 93.4 -81.7 -34.0 42.6 37.8 62.4 144 147 A S T 3< S+ 0 0 18 -4,-2.1 3,-0.1 1,-0.3 43,-0.1 -0.394 99.1 15.4 -56.7 113.4 45.0 35.2 60.9 145 148 A G T 3 S+ 0 0 22 1,-0.4 -1,-0.3 -2,-0.3 2,-0.2 0.412 94.6 118.8 99.0 -3.6 44.3 32.1 62.8 146 149 A L < - 0 0 19 -3,-2.5 39,-2.2 -4,-0.0 40,-0.5 -0.619 52.7-141.9 -88.1 164.5 41.0 32.9 64.4 147 150 A R E -M 184 0D 44 37,-0.2 61,-1.1 -2,-0.2 62,-0.9 -0.934 10.6-159.4-125.5 148.6 38.0 30.8 63.5 148 151 A A E -MN 183 207D 0 35,-3.0 35,-2.3 -2,-0.3 2,-0.3 -0.962 17.7-122.8-130.8 145.2 34.4 32.0 62.9 149 152 A E E -MN 182 206D 49 57,-2.4 56,-2.4 -2,-0.3 57,-0.8 -0.628 19.8-156.9 -87.2 140.3 31.2 30.0 63.1 150 153 A H E -MN 181 204D 0 31,-3.1 31,-1.6 -2,-0.3 2,-0.4 -0.954 7.8-167.9-118.4 136.7 28.9 30.0 60.0 151 154 A D >> - 0 0 12 52,-2.6 3,-1.9 -2,-0.4 4,-0.5 -0.930 21.4-153.6-135.8 114.5 25.2 29.2 60.4 152 155 A F H >> S+ 0 0 0 -2,-0.4 3,-0.8 26,-0.4 4,-0.6 0.780 96.7 63.3 -48.6 -33.9 22.7 28.5 57.6 153 156 A R H >4 S+ 0 0 113 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.824 83.9 71.5 -68.6 -29.1 20.0 29.8 59.9 154 157 A K H <4 S+ 0 0 90 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.839 115.1 26.3 -60.3 -26.5 21.3 33.3 60.1 155 158 A S H << S+ 0 0 28 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.425 128.6 45.3-114.9 -0.8 20.3 33.9 56.5 156 159 A F S << S- 0 0 6 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 -0.567 82.1-173.8-139.3 68.1 17.5 31.3 56.4 157 160 A P > - 0 0 29 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.334 32.7-115.8 -71.9 151.0 15.6 31.9 59.6 158 161 A E G > S+ 0 0 134 1,-0.3 3,-3.3 2,-0.2 13,-0.0 0.932 108.6 61.7 -43.4 -65.9 12.7 29.6 60.7 159 162 A Y G > S+ 0 0 178 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.560 93.7 64.8 -45.2 -19.2 10.0 32.2 60.5 160 163 A K G < S+ 0 0 98 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.391 105.8 44.9 -86.4 4.4 10.5 32.7 56.8 161 164 A Y G < S+ 0 0 36 -3,-3.3 10,-0.2 -4,-0.1 -1,-0.2 -0.131 73.2 100.3-140.7 39.4 9.4 29.1 56.2 162 165 A R < + 0 0 77 -3,-0.6 2,-1.3 5,-0.1 3,-0.2 0.318 53.0 111.5-103.7 7.4 6.3 28.4 58.2 163 166 A K S S- 0 0 71 1,-0.2 -1,-0.0 2,-0.1 -3,-0.0 -0.660 90.6 -1.5 -83.1 94.1 4.2 28.9 55.1 164 167 A T S >> S- 0 0 67 -2,-1.3 3,-1.1 3,-0.1 4,-0.8 0.766 74.1-123.8 87.8 101.4 2.9 25.3 54.5 165 168 A E H 3> S+ 0 0 82 1,-0.3 4,-2.0 2,-0.2 5,-0.4 0.819 111.3 76.4 -41.1 -36.2 4.1 22.6 56.9 166 169 A E H 34 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.294 106.3 37.2 -60.4 17.3 5.4 20.9 53.7 167 170 A E H <> S+ 0 0 67 -3,-1.1 4,-2.8 -6,-0.1 -2,-0.2 0.540 106.7 54.4-134.4 -56.2 8.0 23.6 54.2 168 171 A H H X S+ 0 0 44 -4,-0.8 4,-1.6 1,-0.3 -2,-0.2 0.764 115.0 51.3 -57.6 -19.7 8.8 24.1 57.9 169 172 A Q H X S+ 0 0 59 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.3 0.835 110.6 44.3 -83.3 -38.6 9.4 20.4 57.6 170 173 A R H > S+ 0 0 51 -5,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.681 113.3 53.9 -77.6 -18.3 11.7 20.8 54.5 171 174 A W H X S+ 0 0 21 -4,-2.8 4,-1.5 -10,-0.2 -2,-0.2 0.944 106.8 48.9 -77.4 -50.2 13.4 23.7 56.3 172 175 A R H X S+ 0 0 47 -4,-1.6 4,-2.8 -5,-0.2 5,-0.3 0.881 107.6 57.7 -53.4 -42.9 14.2 21.6 59.4 173 176 A E H X S+ 0 0 146 -4,-1.6 4,-1.2 1,-0.3 -1,-0.2 0.958 107.2 45.8 -55.3 -52.5 15.6 18.9 57.1 174 177 A A H < S+ 0 0 6 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.757 113.2 53.3 -62.3 -24.8 18.1 21.4 55.6 175 178 A V H >< S+ 0 0 25 -4,-1.5 3,-3.2 -3,-0.2 -2,-0.2 0.986 108.0 45.1 -73.6 -61.0 18.9 22.6 59.2 176 179 A A H 3< S+ 0 0 93 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.718 115.8 51.5 -56.3 -18.1 19.7 19.2 60.7 177 180 A K T 3< S+ 0 0 69 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.502 116.3 40.4 -95.7 -6.5 21.7 18.6 57.5 178 181 A N S < S+ 0 0 22 -3,-3.2 -26,-0.4 -4,-0.2 -1,-0.2 -0.578 75.3 174.6-141.7 71.8 23.6 21.8 57.8 179 182 A P - 0 0 77 0, 0.0 -29,-0.1 0, 0.0 -3,-0.1 -0.393 45.8 -78.6 -75.6 163.2 24.6 22.6 61.4 180 183 A P + 0 0 52 0, 0.0 2,-0.3 0, 0.0 -29,-0.2 -0.268 59.6 171.1 -58.6 143.3 26.8 25.5 62.4 181 184 A L E -M 150 0D 25 -31,-1.6 -31,-3.1 -3,-0.1 2,-0.3 -0.903 28.4 -98.8-149.5 172.8 30.4 24.9 61.7 182 185 A L E +M 149 0D 69 -2,-0.3 -33,-0.2 -33,-0.2 25,-0.0 -0.736 28.5 174.3-106.1 149.5 33.8 26.8 61.7 183 186 A H E -M 148 0D 7 -35,-2.3 -35,-3.0 -2,-0.3 2,-0.1 -0.958 42.0 -92.3-141.3 152.3 35.9 28.3 59.0 184 187 A P E -M 147 0D 20 0, 0.0 -37,-0.2 0, 0.0 -40,-0.1 -0.426 22.8-136.2 -67.4 147.3 39.0 30.4 59.3 185 188 A V S S+ 0 0 0 -39,-2.2 13,-2.6 -42,-0.4 2,-0.5 0.784 99.2 42.1 -74.8 -29.5 38.6 34.2 59.4 186 189 A V E S-O 197 0E 0 -40,-0.5 2,-0.5 -43,-0.3 11,-0.2 -0.978 82.4-160.2-118.7 121.3 41.5 34.5 57.1 187 190 A R E -O 196 0E 1 9,-3.0 9,-2.0 -2,-0.5 2,-0.5 -0.896 12.0-143.1-109.8 132.0 41.5 32.1 54.2 188 191 A T E -OP 195 276E 11 88,-2.2 88,-0.5 -2,-0.5 7,-0.2 -0.745 32.0-116.1 -84.3 125.0 44.4 31.2 52.1 189 192 A H > - 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