==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-MAR-03 1OTJ . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT TAURINE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.R.O'BRIEN,D.J.SCHULLER,V.S.YANG,B.D.DILLARD,W.N.LANZILOTTA . 1120 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 755 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 266 23.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 108 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 19.7 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 3 0 4 4 0 4 0 1 0 3 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 . 13 3 8 16 10 2 3 1 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 . 4 4 4 0 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 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 85 0, 0.0 19,-0.1 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 99.9 54.6 86.3 7.4 2 3 A E - 0 0 121 17,-0.2 2,-0.3 1,-0.1 17,-0.0 0.718 360.0 -48.4 -95.5-101.0 55.1 83.2 5.3 3 4 A R - 0 0 208 16,-0.1 -1,-0.1 30,-0.0 27,-0.1 -0.954 46.4-129.4-148.2 123.4 52.5 80.5 5.1 4 5 A L - 0 0 7 -2,-0.3 2,-0.9 1,-0.1 15,-0.2 -0.340 27.4-116.4 -68.3 150.7 50.5 78.9 7.9 5 6 A S E -A 18 0A 63 13,-3.4 13,-1.9 2,-0.0 2,-0.7 -0.822 35.0-170.4 -92.1 106.4 50.3 75.1 8.0 6 7 A I E -A 17 0A 53 -2,-0.9 11,-0.2 11,-0.2 38,-0.0 -0.882 7.1-178.9-103.2 111.6 46.6 74.3 7.5 7 8 A T E -A 16 0A 72 9,-2.9 9,-2.8 -2,-0.7 -2,-0.0 -0.902 23.0-136.8-113.7 105.1 45.7 70.6 8.0 8 9 A P E -A 15 0A 58 0, 0.0 7,-0.3 0, 0.0 6,-0.1 -0.294 6.9-158.0 -57.3 140.2 42.0 69.8 7.4 9 10 A L S S- 0 0 3 5,-2.3 393,-0.2 1,-0.2 6,-0.2 0.468 73.2 -4.9 -97.8 -4.9 40.6 67.5 10.1 10 11 A G S S- 0 0 10 4,-0.8 -1,-0.2 391,-0.1 225,-0.1 -0.975 76.4 -93.8-172.6 171.9 37.8 66.4 7.8 11 12 A P S S+ 0 0 52 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.813 118.4 22.1 -68.5 -33.9 36.1 66.9 4.4 12 13 A Y S S+ 0 0 106 1,-0.3 2,-0.3 220,-0.2 120,-0.1 0.680 125.1 13.2-112.0 -21.5 33.5 69.3 5.6 13 14 A I S S+ 0 0 3 221,-0.2 -1,-0.3 1,-0.1 29,-0.2 -0.977 86.4 36.9-161.0 144.3 34.7 71.0 8.8 14 15 A G - 0 0 0 27,-2.7 -5,-2.3 -2,-0.3 -4,-0.8 0.233 39.3-174.5 95.2 144.1 37.7 71.6 11.0 15 16 A A E -Ab 8 44A 0 28,-0.8 30,-2.5 -7,-0.3 2,-0.4 -0.924 22.6-126.6-170.3 143.8 41.4 72.1 10.5 16 17 A Q E -Ab 7 45A 66 -9,-2.8 -9,-2.9 -2,-0.3 2,-0.4 -0.830 24.7-154.7 -98.0 137.6 44.6 72.5 12.6 17 18 A I E +A 6 0A 9 28,-3.3 30,-0.4 -2,-0.4 2,-0.3 -0.948 14.7 175.8-118.5 132.7 46.7 75.5 12.1 18 19 A S E +A 5 0A 76 -13,-1.9 -13,-3.4 -2,-0.4 3,-0.1 -0.929 54.8 51.2-130.1 153.1 50.5 75.8 12.8 19 20 A G S S+ 0 0 43 -2,-0.3 2,-0.5 -15,-0.2 -17,-0.2 0.657 78.0 110.1 96.0 17.3 52.9 78.6 12.2 20 21 A A - 0 0 4 -3,-0.2 2,-0.9 -15,-0.1 -1,-0.2 -0.945 53.5-153.8-130.8 112.8 51.1 81.4 13.8 21 22 A D - 0 0 93 -2,-0.5 3,-0.5 1,-0.2 28,-0.1 -0.746 12.4-177.8 -86.5 107.2 52.2 83.0 17.0 22 23 A L S S+ 0 0 8 -2,-0.9 -1,-0.2 1,-0.2 37,-0.1 0.538 74.0 70.9 -82.6 -8.6 49.1 84.4 18.6 23 24 A T S S+ 0 0 59 28,-0.1 -1,-0.2 2,-0.1 29,-0.1 0.791 103.3 48.8 -76.3 -26.5 50.9 85.9 21.6 24 25 A R S S- 0 0 28 -3,-0.5 -1,-0.0 1,-0.1 27,-0.0 -0.864 108.0 -86.4-112.9 147.3 52.4 88.5 19.3 25 26 A P - 0 0 134 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 -0.184 45.9-125.3 -50.7 136.1 50.4 90.5 16.7 26 27 A L - 0 0 10 1,-0.1 -6,-0.0 -4,-0.1 -4,-0.0 -0.607 21.7-115.5 -85.4 146.5 50.0 88.7 13.4 27 28 A S > - 0 0 36 -2,-0.2 4,-1.6 1,-0.1 -1,-0.1 0.047 32.4-104.0 -63.5-173.4 51.2 90.3 10.2 28 29 A D H > S+ 0 0 125 2,-0.2 4,-1.7 1,-0.1 5,-0.1 0.859 120.9 54.4 -84.3 -37.2 48.5 91.2 7.6 29 30 A N H > S+ 0 0 65 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.846 114.3 42.4 -63.1 -34.4 49.5 88.3 5.3 30 31 A Q H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.925 111.1 51.1 -78.9 -47.8 49.0 85.9 8.3 31 32 A F H X S+ 0 0 29 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.822 108.7 57.2 -59.6 -28.9 45.8 87.3 9.7 32 33 A E H X S+ 0 0 112 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.933 109.3 40.5 -69.3 -46.7 44.4 87.1 6.3 33 34 A Q H X S+ 0 0 42 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.715 113.5 54.8 -76.5 -18.4 44.9 83.4 5.8 34 35 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.925 110.5 47.6 -73.4 -45.4 43.9 82.7 9.4 35 36 A Y H X S+ 0 0 72 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.924 114.7 45.0 -57.6 -49.0 40.7 84.6 8.5 36 37 A H H X S+ 0 0 96 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.774 109.0 55.6 -69.5 -27.7 40.2 82.6 5.3 37 38 A A H X S+ 0 0 6 -4,-1.4 4,-3.4 2,-0.2 6,-0.2 0.858 108.4 49.8 -71.9 -34.6 41.0 79.3 7.0 38 39 A V H X S+ 0 0 10 -4,-1.9 4,-1.6 2,-0.2 210,-0.4 0.916 113.0 45.1 -68.9 -44.0 38.2 80.0 9.5 39 40 A L H < S+ 0 0 29 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.931 119.7 42.9 -64.7 -43.7 35.7 80.9 6.7 40 41 A R H < S+ 0 0 188 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.934 126.7 29.1 -68.7 -49.0 36.8 77.8 4.7 41 42 A H H < S- 0 0 16 -4,-3.4 -27,-2.7 -5,-0.2 2,-2.1 0.425 90.4-141.1 -95.9 2.2 37.0 75.3 7.6 42 43 A Q S < S+ 0 0 9 -4,-1.6 206,-3.0 -29,-0.2 2,-0.3 0.026 84.3 34.2 65.4 -34.8 34.4 76.8 9.8 43 44 A V E - C 0 247A 0 -2,-2.1 -28,-0.8 204,-0.3 2,-0.3 -0.946 70.0-170.7-151.3 130.0 36.5 76.0 12.9 44 45 A V E -bC 15 246A 0 202,-3.1 202,-2.3 -2,-0.3 2,-0.4 -0.920 8.9-149.7-123.0 150.5 40.3 76.0 13.3 45 46 A F E -bC 16 245A 0 -30,-2.5 -28,-3.3 -2,-0.3 2,-0.4 -0.968 10.6-177.1-123.3 133.7 42.5 74.8 16.1 46 47 A L E - C 0 244A 1 198,-2.7 198,-2.2 -2,-0.4 3,-0.3 -0.995 13.2-158.1-128.7 123.4 45.9 76.1 17.1 47 48 A R + 0 0 59 -2,-0.4 196,-0.2 -30,-0.4 195,-0.1 -0.590 66.0 33.0-100.0 164.7 47.9 74.5 19.9 48 49 A D S S+ 0 0 128 193,-0.5 2,-0.4 -2,-0.2 -1,-0.2 0.915 72.1 140.2 60.0 48.8 50.6 75.8 22.1 49 50 A Q - 0 0 24 193,-2.6 2,-2.4 -3,-0.3 -1,-0.1 -0.689 29.6-174.2-122.3 76.7 49.3 79.4 22.2 50 51 A A + 0 0 59 -2,-0.4 2,-0.2 191,-0.1 193,-0.1 -0.451 25.4 162.8 -72.5 77.0 49.8 80.6 25.7 51 52 A I - 0 0 6 -2,-2.4 -28,-0.1 191,-0.1 -2,-0.1 -0.565 32.7-129.2 -97.5 161.6 48.0 83.9 25.3 52 53 A T > - 0 0 48 -2,-0.2 4,-2.7 -29,-0.1 5,-0.2 -0.648 32.2-103.8-104.0 163.3 46.7 86.3 27.9 53 54 A P H > S+ 0 0 22 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.881 121.9 60.2 -52.9 -34.0 43.2 87.8 28.0 54 55 A Q H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.972 110.1 35.3 -55.8 -63.5 44.9 91.0 26.7 55 56 A Q H > S+ 0 0 48 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.801 115.0 58.3 -65.0 -30.1 46.2 89.5 23.5 56 57 A Q H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.952 108.1 45.4 -65.1 -47.6 43.2 87.3 23.0 57 58 A R H X S+ 0 0 76 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.893 113.0 53.4 -60.0 -38.6 40.9 90.4 23.0 58 59 A A H X S+ 0 0 53 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.933 108.2 47.5 -61.6 -49.5 43.4 92.0 20.7 59 60 A L H >< S+ 0 0 15 -4,-2.9 3,-0.7 1,-0.2 4,-0.4 0.917 114.9 45.9 -59.2 -45.9 43.3 89.1 18.2 60 61 A A H >X S+ 0 0 0 -4,-2.4 3,-2.5 1,-0.2 4,-1.0 0.903 102.9 65.5 -63.8 -41.8 39.5 89.0 18.2 61 62 A Q H 3< S+ 0 0 75 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.789 93.2 62.4 -50.3 -32.1 39.4 92.8 17.9 62 63 A R T << S+ 0 0 98 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.706 100.3 51.7 -70.7 -20.0 40.9 92.4 14.5 63 64 A F T <4 S- 0 0 50 -3,-2.5 2,-0.3 -4,-0.4 -1,-0.2 0.710 126.5 -83.5 -86.7 -21.5 37.9 90.4 13.2 64 65 A G S < S- 0 0 24 -4,-1.0 -1,-0.3 -3,-0.3 210,-0.1 -0.956 71.7 -14.8 150.6-168.6 35.6 93.2 14.5 65 66 A E - 0 0 139 -2,-0.3 208,-2.5 208,-0.1 2,-0.4 -0.323 63.9-125.3 -65.5 147.9 33.7 94.6 17.5 66 67 A L B -D 272 0A 21 206,-0.2 2,-0.3 42,-0.1 206,-0.2 -0.776 12.4-132.6-102.0 142.1 33.4 92.3 20.5 67 68 A H - 0 0 25 204,-2.9 2,-0.6 -2,-0.4 204,-0.4 -0.649 11.6-142.0 -89.1 142.4 30.2 91.3 22.3 68 69 A I - 0 0 95 -2,-0.3 12,-0.1 202,-0.1 13,-0.1 -0.936 23.8-125.2-107.1 118.0 29.9 91.5 26.1 69 70 A H - 0 0 17 -2,-0.6 107,-0.0 10,-0.2 12,-0.0 -0.364 8.1-139.1 -64.2 137.8 28.0 88.6 27.5 70 71 A P S S+ 0 0 35 0, 0.0 106,-0.2 0, 0.0 -1,-0.1 0.648 93.8 12.7 -70.8 -18.7 25.0 89.6 29.7 71 72 A V S S+ 0 0 7 105,-0.1 102,-0.1 2,-0.1 101,-0.1 0.677 97.9 95.3-129.8 -35.1 25.6 86.9 32.3 72 73 A Y S S- 0 0 33 1,-0.1 12,-0.1 10,-0.0 2,-0.1 -0.307 76.3-109.0 -65.3 145.8 28.9 85.1 32.0 73 74 A P - 0 0 78 0, 0.0 10,-3.1 0, 0.0 2,-0.3 -0.363 32.7-141.9 -70.4 152.7 31.8 86.4 34.2 74 75 A H E -E 82 0A 82 8,-0.3 8,-0.3 1,-0.1 5,-0.2 -0.784 22.1 -93.7-116.2 161.9 34.7 88.3 32.5 75 76 A A E > -E 78 0A 10 6,-2.9 3,-1.5 3,-0.8 6,-0.2 -0.351 56.9 -82.6 -70.2 152.6 38.4 88.3 33.1 76 77 A E T 3 S- 0 0 186 1,-0.3 -1,-0.1 3,-0.0 5,-0.0 -0.345 112.5 -1.6 -58.7 127.6 39.9 90.9 35.4 77 78 A G T 3 S+ 0 0 66 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.319 119.5 83.7 75.3 -9.9 40.4 94.2 33.5 78 79 A V E X +E 75 0A 3 -3,-1.5 3,-1.7 3,-0.2 -3,-0.8 -0.707 52.6 179.2-129.0 81.2 39.2 92.7 30.2 79 80 A D E 3 S+ 0 0 77 -2,-0.4 -10,-0.2 1,-0.3 -1,-0.1 0.678 77.5 59.9 -53.4 -26.0 35.4 92.9 30.2 80 81 A E E 3 S+ 0 0 37 -12,-0.1 2,-0.9 1,-0.1 191,-0.5 0.685 88.6 79.0 -80.3 -19.3 35.1 91.3 26.7 81 82 A I E < S- 0 0 0 -3,-1.7 -6,-2.9 -6,-0.2 189,-0.2 -0.797 72.5-154.0 -93.9 106.6 36.8 88.1 27.6 82 83 A I E -EF 74 269A 4 187,-1.7 187,-1.9 -2,-0.9 2,-0.6 -0.516 8.7-136.0 -78.9 147.7 34.3 85.8 29.5 83 84 A V E - F 0 268A 26 -10,-3.1 2,-1.0 185,-0.2 185,-0.2 -0.919 9.7-162.3-106.7 122.7 35.7 83.3 31.9 84 85 A L E + F 0 267A 21 183,-3.6 183,-1.7 -2,-0.6 2,-0.9 -0.769 20.6 169.5-105.9 85.0 34.2 79.8 31.7 85 86 A D E - F 0 266A 33 -2,-1.0 2,-0.3 181,-0.2 181,-0.2 -0.835 11.4-177.6 -99.8 96.8 35.3 78.5 35.1 86 87 A T E + F 0 265A 9 179,-3.1 179,-2.4 -2,-0.9 2,-0.3 -0.763 19.6 117.1-104.7 147.1 33.5 75.2 35.7 87 88 A H B > S-I 90 0B 46 3,-1.4 3,-2.1 -2,-0.3 176,-0.1 -0.928 78.1 -52.2-177.6-172.0 33.5 72.9 38.6 88 89 A N T 3 S+ 0 0 93 174,-0.5 175,-0.1 1,-0.3 176,-0.0 0.845 135.0 46.0 -51.8 -40.5 31.2 71.5 41.4 89 90 A D T 3 S+ 0 0 137 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.414 126.3 31.0 -86.3 3.2 30.1 75.0 42.4 90 91 A N B < S-I 87 0B 71 -3,-2.1 -3,-1.4 2,-0.0 -1,-0.3 -0.469 84.5-159.0-157.7 73.9 29.5 76.0 38.8 91 92 A P - 0 0 70 0, 0.0 -3,-0.1 0, 0.0 -6,-0.0 -0.238 33.8 -92.6 -58.6 143.1 28.6 73.0 36.7 92 93 A P - 0 0 23 0, 0.0 3,-0.1 0, 0.0 166,-0.1 -0.244 36.2-173.7 -55.9 142.5 29.1 73.2 32.9 93 94 A D + 0 0 37 -3,-0.1 165,-0.0 1,-0.1 -7,-0.0 0.077 66.1 81.2-128.0 22.0 26.1 74.5 31.0 94 95 A N + 0 0 27 162,-0.2 162,-3.0 1,-0.1 2,-1.6 0.170 50.2 111.5-114.5 16.0 27.3 74.0 27.4 95 96 A D + 0 0 56 160,-0.2 2,-0.3 -3,-0.1 160,-0.1 -0.479 65.5 79.7 -88.8 63.1 26.7 70.3 26.9 96 97 A N S S- 0 0 39 -2,-1.6 2,-0.6 158,-0.2 160,-0.3 -0.941 94.0 -91.2-161.3 149.8 24.0 71.1 24.4 97 98 A W + 0 0 12 -2,-0.3 107,-2.0 158,-0.1 2,-0.3 -0.573 62.6 150.5 -73.6 118.3 24.1 72.0 20.7 98 99 A H B -J 254 0C 7 156,-2.2 156,-2.9 -2,-0.6 2,-0.5 -0.968 45.3-137.8-147.6 160.8 24.1 75.7 20.4 99 100 A T > - 0 0 2 -2,-0.3 3,-0.7 154,-0.2 154,-0.1 -0.958 52.4 -93.6-114.7 134.3 25.3 78.6 18.3 100 101 A D T 3 S- 0 0 4 -2,-0.5 105,-0.0 1,-0.2 10,-0.0 -0.252 87.8 -22.9 -57.6 130.1 26.7 81.4 20.4 101 102 A V T > S+ 0 0 3 1,-0.2 3,-0.6 6,-0.1 -1,-0.2 0.842 70.2 156.9 38.8 61.5 24.3 84.2 21.4 102 103 A T T < + 0 0 0 -3,-0.7 -1,-0.2 1,-0.2 50,-0.1 0.427 58.2 86.4 -90.4 3.3 21.7 83.8 18.6 103 104 A F T 3 S+ 0 0 1 50,-0.1 2,-0.3 3,-0.1 51,-0.2 0.373 78.7 73.4 -82.2 3.3 19.3 85.6 21.0 104 105 A I S < S- 0 0 19 -3,-0.6 76,-0.1 49,-0.1 79,-0.1 -0.742 92.7-112.1-111.8 165.2 20.5 89.0 19.8 105 106 A E S S+ 0 0 121 1,-0.3 -1,-0.1 -2,-0.3 -3,-0.0 0.781 113.7 36.3 -66.9 -29.0 19.7 90.7 16.5 106 107 A T S S- 0 0 49 170,-0.2 168,-0.9 -5,-0.1 -1,-0.3 -0.674 86.9-157.7-126.5 77.0 23.3 90.4 15.3 107 108 A P - 0 0 0 0, 0.0 167,-0.7 0, 0.0 -5,-0.2 -0.056 38.5 -77.9 -51.0 153.3 24.7 87.1 16.5 108 109 A P E -G 273 0A 0 0, 0.0 165,-0.3 0, 0.0 3,-0.1 -0.275 30.8-148.8 -56.3 136.9 28.4 86.8 16.8 109 110 A A E S- 0 0 12 163,-2.4 140,-1.4 1,-0.2 141,-0.9 0.762 75.6 -24.4 -76.5 -26.9 30.1 86.2 13.5 110 111 A G E -GH 272 248A 8 162,-1.6 162,-2.1 138,-0.3 2,-0.3 -0.960 57.3-141.1-167.4-177.2 32.8 84.2 15.4 111 112 A A E -GH 271 247A 0 136,-1.3 136,-1.7 -2,-0.3 2,-0.5 -0.988 9.9-140.2-158.5 155.5 34.6 83.5 18.6 112 113 A I E -GH 270 246A 1 158,-2.5 158,-2.7 -2,-0.3 2,-0.5 -0.990 20.1-164.2-122.3 124.1 38.1 82.6 19.9 113 114 A L E -GH 269 245A 11 132,-3.7 132,-2.5 -2,-0.5 2,-0.5 -0.934 1.3-164.9-114.5 132.7 38.3 80.1 22.7 114 115 A A E -GH 268 244A 2 154,-3.1 154,-2.4 -2,-0.5 2,-0.9 -0.966 16.2-138.9-118.8 128.9 41.4 79.7 24.8 115 116 A A E +G 267 0A 0 128,-2.2 127,-3.2 -2,-0.5 128,-0.3 -0.763 32.6 162.4 -87.8 106.5 42.0 76.6 27.0 116 117 A K E + 0 0 54 150,-1.8 2,-0.4 -2,-0.9 -1,-0.2 0.940 67.6 9.2 -87.7 -60.1 43.5 78.0 30.2 117 118 A E E S-G 266 0A 87 149,-1.9 149,-3.3 124,-0.1 -1,-0.3 -0.991 73.3-171.9-128.9 126.0 43.1 75.2 32.8 118 119 A L - 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0 0 7 -3,-1.9 39,-2.7 -4,-0.1 40,-0.5 -0.452 51.9-146.4 -74.3 154.3 11.1 80.0 7.3 149 150 A R E -M 186 0D 115 37,-0.3 61,-1.8 38,-0.1 62,-0.8 -0.932 9.1-159.7-123.1 147.5 11.9 82.0 10.5 150 151 A A E -MN 185 209D 0 35,-2.8 35,-1.9 -2,-0.4 2,-0.3 -0.947 19.0-118.8-128.5 149.3 12.5 80.6 14.0 151 152 A E E -MN 184 208D 35 57,-3.3 56,-2.3 -2,-0.3 57,-0.8 -0.662 21.8-160.2 -87.3 138.2 12.3 82.3 17.4 152 153 A H E -MN 183 206D 0 31,-3.0 31,-1.9 -2,-0.3 2,-0.5 -0.973 7.3-167.4-118.5 132.9 15.5 82.4 19.5 153 154 A D >> - 0 0 13 52,-2.8 3,-1.9 -2,-0.4 4,-0.6 -0.969 22.8-150.5-131.1 120.7 15.1 82.9 23.3 154 155 A F H >> S+ 0 0 0 26,-0.5 4,-1.3 -2,-0.5 3,-0.7 0.817 98.0 63.1 -49.5 -36.8 17.9 83.8 25.7 155 156 A R H 34 S+ 0 0 95 1,-0.2 -1,-0.3 25,-0.2 50,-0.1 0.709 84.0 74.4 -67.5 -21.8 15.9 82.0 28.4 156 157 A K H <4 S+ 0 0 80 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.919 114.5 22.8 -59.6 -41.5 16.1 78.6 26.7 157 158 A S H << S+ 0 0 22 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.585 127.8 52.2 -99.0 -12.4 19.7 78.2 27.7 158 159 A F S < S- 0 0 4 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.638 75.7-175.8-124.2 72.0 19.6 80.7 30.6 159 160 A P > - 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P 0 813M 1 104,-3.2 4,-2.2 -2,-0.4 123,-0.2 -0.662 14.7-168.0 -84.2 118.6 -9.9 56.9 29.9 691 131 C G H > S+ 0 0 6 121,-3.4 69,-2.3 -2,-0.6 4,-1.7 0.782 93.0 54.0 -71.7 -25.2 -6.9 57.0 32.0 692 132 C I H > S+ 0 0 21 120,-0.6 4,-2.5 67,-0.3 -1,-0.2 0.942 111.0 41.9 -72.8 -49.9 -7.9 53.6 33.4 693 133 C A H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.898 114.8 53.1 -63.8 -39.5 -8.2 51.9 30.1 694 134 C A H < S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.896 110.9 46.2 -63.3 -41.0 -5.0 53.6 28.9 695 135 C Y H >< S+ 0 0 24 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.928 111.0 51.8 -67.7 -43.9 -3.1 52.3 31.9 696 136 C E H 3< S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.830 103.1 60.0 -61.2 -32.4 -4.5 48.8 31.6 697 137 C A T 3< S+ 0 0 48 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.627 85.4 101.0 -72.1 -13.4 -3.4 48.8 27.9 698 138 C L S < S- 0 0 4 -3,-1.5 -3,-0.0 -4,-0.4 -206,-0.0 -0.454 82.3-110.8 -72.4 145.4 0.2 49.3 29.0 699 139 C S > - 0 0 24 -2,-0.1 4,-2.1 1,-0.1 3,-0.3 -0.299 34.9-103.6 -68.5 162.1 2.5 46.2 29.1 700 140 C V H > S+ 0 0 87 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.904 121.2 55.4 -56.7 -43.7 3.5 45.1 32.5 701 141 C P H > S+ 0 0 26 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.903 110.9 45.7 -57.7 -38.3 7.0 46.6 32.2 702 142 C F H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.852 110.1 52.9 -72.6 -35.2 5.5 50.0 31.4 703 143 C R H X S+ 0 0 69 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.936 111.6 46.7 -64.0 -45.0 3.0 49.8 34.2 704 144 C Q H < S+ 0 0 139 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.884 113.0 50.8 -63.3 -39.7 5.8 49.0 36.7 705 145 C L H < S+ 0 0 12 -4,-1.9 -2,-0.2 -5,-0.3 4,-0.2 0.947 116.1 38.0 -63.0 -51.5 7.9 51.9 35.2 706 146 C L H >< S+ 0 0 0 -4,-2.5 3,-1.3 2,-0.1 43,-0.4 0.780 93.5 95.0 -74.5 -29.8 5.2 54.5 35.4 707 147 C S T 3< S+ 0 0 22 -4,-2.3 3,-0.1 1,-0.2 43,-0.1 -0.498 96.0 16.4 -68.2 122.9 3.7 53.5 38.7 708 148 C G T 3 S+ 0 0 44 1,-0.4 -1,-0.2 -2,-0.3 -2,-0.1 0.046 97.5 120.6 104.8 -25.4 5.3 55.5 41.5 709 149 C L < - 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