==== 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 TRANSFERASE 11-DEC-08 3FIG . COMPND 2 MOLECULE: 2-ISOPROPYLMALATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR N.KOON,C.J.SQUIRE,E.N.BAKER . 1153 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 811 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 8.6 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 . 5 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 . 90 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 349 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.3 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 2 0 0 4 5 1 7 1 4 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 7 0 4 0 2 2 0 2 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 . 4 0 1 0 0 0 0 2 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 1 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 18 A T 0 0 121 0, 0.0 2,-0.5 0, 0.0 903,-0.1 0.000 360.0 360.0 360.0 158.4 25.3 -8.8 -15.5 2 19 A I - 0 0 5 903,-0.1 2,-0.5 901,-0.1 664,-0.0 -0.574 360.0-170.8 -79.8 119.1 22.5 -6.7 -17.2 3 20 A V - 0 0 98 -2,-0.5 20,-0.2 663,-0.1 901,-0.1 -0.948 30.8-109.6-113.6 121.6 19.2 -8.6 -17.4 4 21 A K - 0 0 82 -2,-0.5 662,-0.1 1,-0.1 663,-0.1 -0.237 38.9-103.9 -47.2 122.9 16.4 -7.0 -19.5 5 22 A P + 0 0 6 0, 0.0 17,-0.2 0, 0.0 15,-0.2 -0.267 47.8 167.5 -47.2 136.6 13.5 -5.6 -17.4 6 23 A A + 0 0 82 15,-0.8 16,-0.2 -3,-0.1 15,-0.1 0.401 28.1 121.5-139.3 -3.2 10.6 -8.1 -17.8 7 24 A G B S-A 21 0A 22 14,-2.4 14,-2.1 1,-0.2 16,-0.0 -0.183 74.0 -79.7 -69.7 153.6 8.1 -7.1 -15.0 8 25 A P - 0 0 103 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.259 48.9-112.8 -54.6 136.5 4.5 -6.1 -15.6 9 26 A P - 0 0 55 0, 0.0 11,-0.1 0, 0.0 3,-0.1 -0.254 46.6 -88.2 -61.4 158.1 4.0 -2.5 -16.8 10 27 A R > - 0 0 85 1,-0.1 3,-0.9 2,-0.1 2,-0.3 -0.117 50.1 -88.9 -64.5 160.7 2.2 -0.3 -14.2 11 28 A V T 3 S+ 0 0 153 1,-0.2 -1,-0.1 -3,-0.1 0, 0.0 -0.625 116.4 18.0 -70.2 134.6 -1.5 -0.1 -14.2 12 29 A G T 3 S+ 0 0 83 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.213 84.5 149.5 86.4 -15.4 -2.7 2.7 -16.5 13 30 A Q < - 0 0 40 -3,-0.9 -1,-0.3 1,-0.1 4,-0.0 -0.272 55.6-102.5 -39.9 124.3 0.7 2.8 -18.4 14 31 A P > - 0 0 48 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.197 17.6-121.6 -62.2 154.9 -0.1 3.9 -22.0 15 32 A S T 3 S+ 0 0 107 1,-0.3 -2,-0.1 -3,-0.1 790,-0.0 0.721 112.8 62.7 -66.1 -26.7 -0.2 1.4 -24.9 16 33 A W T 3 S+ 0 0 68 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.431 91.5 71.7 -80.4 -2.1 2.4 3.5 -26.6 17 34 A N < + 0 0 13 -3,-2.0 -1,-0.1 1,-0.1 617,-0.0 -0.912 55.4 175.4-113.9 97.9 4.9 2.8 -23.7 18 35 A P + 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.226 33.3 137.0 -86.0 12.9 6.0 -1.0 -23.9 19 36 A Q - 0 0 0 1,-0.1 2,-0.3 613,-0.0 882,-0.1 -0.295 42.8-146.1 -59.2 141.5 8.5 -0.5 -21.0 20 37 A R - 0 0 101 880,-0.4 -13,-0.1 647,-0.3 -14,-0.1 -0.802 25.3 -91.7-110.2 156.5 8.6 -3.3 -18.5 21 38 A A B -A 7 0A 20 -14,-2.1 -14,-2.4 -2,-0.3 -15,-0.8 -0.338 41.0-130.6 -65.5 144.1 9.2 -3.1 -14.8 22 39 A S - 0 0 15 -17,-0.2 -1,-0.1 -16,-0.2 -18,-0.1 -0.441 10.8-128.3 -90.7 161.0 12.9 -3.5 -13.7 23 40 A S + 0 0 107 -20,-0.2 -1,-0.1 -2,-0.1 879,-0.1 0.241 64.9 130.3 -97.4 19.9 14.0 -5.8 -11.0 24 41 A M S S- 0 0 10 877,-0.1 2,-2.2 1,-0.1 3,-0.2 -0.437 72.5-109.7 -62.8 139.9 15.9 -3.0 -9.1 25 42 A P > + 0 0 38 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.416 52.2 160.8 -78.4 69.4 15.0 -2.8 -5.4 26 43 A V G > + 0 0 34 -2,-2.2 3,-1.6 1,-0.3 -2,-0.0 0.683 62.4 74.7 -63.2 -18.1 13.1 0.5 -5.6 27 44 A N G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.2 939,-0.1 0.555 83.1 66.8 -75.0 -4.7 11.4 -0.3 -2.2 28 45 A R G < S+ 0 0 2 -3,-1.6 939,-2.3 938,-0.1 2,-0.3 0.466 99.4 61.3 -86.8 -2.6 14.6 0.5 -0.4 29 46 A Y < - 0 0 13 -3,-1.6 866,-0.2 937,-0.2 939,-0.1 -0.931 69.1-160.2-126.9 140.3 14.2 4.1 -1.4 30 47 A R - 0 0 67 -2,-0.3 866,-0.2 864,-0.3 5,-0.1 -0.916 33.0 -92.3-119.9 151.9 11.3 6.6 -0.6 31 48 A P >> - 0 0 54 0, 0.0 4,-2.9 0, 0.0 3,-1.0 -0.236 43.3-112.7 -50.6 153.1 10.2 9.7 -2.2 32 49 A F H 3> S+ 0 0 31 1,-0.3 4,-3.3 2,-0.2 5,-0.4 0.906 115.0 60.9 -56.7 -45.0 11.8 12.8 -0.5 33 50 A A H 34 S+ 0 0 49 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.784 115.0 36.9 -53.9 -30.3 8.6 14.1 1.0 34 51 A E H <4 S+ 0 0 124 -3,-1.0 -2,-0.2 3,-0.2 -1,-0.2 0.807 114.1 52.9 -95.1 -33.6 8.5 10.8 2.9 35 52 A E H < S- 0 0 27 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.897 140.1 -8.0 -58.4 -42.7 12.2 10.3 3.6 36 53 A V S < S- 0 0 20 -4,-3.3 -3,-0.2 -5,-0.2 171,-0.1 0.540 114.3 -61.0-120.3 -84.9 12.3 13.8 5.2 37 54 A E - 0 0 39 -5,-0.4 -3,-0.2 169,-0.1 -1,-0.1 -0.989 45.4 -89.3-164.2 157.0 9.2 16.0 4.8 38 55 A P - 0 0 91 0, 0.0 2,-0.2 0, 0.0 -4,-0.0 -0.394 61.9 -74.7 -68.7 158.1 6.9 17.6 2.4 39 56 A I - 0 0 46 1,-0.1 206,-0.0 -2,-0.1 -6,-0.0 -0.306 35.7-162.7 -51.9 113.0 7.4 21.2 1.0 40 57 A R + 0 0 41 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.1 0.666 52.3 111.9 -66.7 -17.3 6.6 24.0 3.6 41 58 A L - 0 0 8 1,-0.0 3,-0.4 2,-0.0 2,-0.3 -0.511 41.8-173.3 -92.4 121.9 6.4 26.8 1.1 42 59 A R S S+ 0 0 176 -2,-0.5 -2,-0.0 1,-0.2 -1,-0.0 -0.752 73.9 6.7 -99.2 138.5 3.3 28.7 0.2 43 60 A N S S- 0 0 146 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.0 0.921 79.2-159.1 51.9 55.9 3.5 31.3 -2.7 44 61 A R - 0 0 39 -3,-0.4 -1,-0.1 1,-0.1 204,-0.1 -0.291 15.3-174.3 -56.0 147.3 7.0 30.7 -4.0 45 62 A T > + 0 0 70 241,-0.1 3,-1.9 2,-0.1 4,-0.3 0.555 62.0 91.3-120.8 -15.2 8.5 33.6 -6.0 46 63 A W G > S+ 0 0 1 1,-0.3 3,-1.3 2,-0.2 241,-0.1 0.800 79.8 65.6 -50.9 -35.2 11.9 32.0 -7.2 47 64 A P G 3 S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.727 106.4 40.2 -59.2 -23.5 10.1 30.9 -10.4 48 65 A D G < S+ 0 0 96 -3,-1.9 2,-0.6 237,-0.1 -2,-0.2 0.272 96.0 98.7-105.0 6.1 9.5 34.4 -11.6 49 66 A R < - 0 0 58 -3,-1.3 2,-0.5 -4,-0.3 236,-0.1 -0.840 54.3-164.7-100.2 126.0 12.9 35.7 -10.5 50 67 A V - 0 0 107 -2,-0.6 2,-0.1 235,-0.0 -2,-0.0 -0.955 32.0-111.0-105.4 128.3 15.6 36.0 -13.1 51 68 A I + 0 0 35 -2,-0.5 3,-0.1 1,-0.1 234,-0.0 -0.368 42.9 166.5 -57.1 129.4 19.1 36.5 -11.7 52 69 A D + 0 0 124 1,-0.1 2,-0.3 -2,-0.1 268,-0.2 0.287 58.6 43.7-131.2 3.9 20.5 40.0 -12.3 53 70 A R S S- 0 0 99 266,-0.1 -1,-0.1 535,-0.0 266,-0.1 -0.959 83.7-104.2-139.7 165.8 23.5 40.3 -10.0 54 71 A A - 0 0 2 -2,-0.3 2,-0.1 266,-0.3 266,-0.1 -0.641 34.9-128.1 -83.6 146.4 26.3 38.0 -9.0 55 72 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 235,-0.2 -0.331 34.7 -87.7 -76.0 176.8 26.2 36.3 -5.7 56 73 A L E -b 290 0B 1 233,-2.2 235,-2.3 -2,-0.1 2,-0.4 -0.744 52.1-144.6 -77.9 124.0 29.0 36.4 -3.1 57 74 A W E -b 291 0B 3 -2,-0.5 34,-0.5 233,-0.2 35,-0.4 -0.739 18.6-171.0 -97.1 142.0 31.3 33.6 -4.1 58 75 A C E -b 292 0B 0 233,-2.4 235,-1.7 -2,-0.4 2,-0.6 -0.978 12.4-149.5-131.3 127.9 33.2 31.4 -1.8 59 76 A A E +bc 293 93B 0 33,-2.3 35,-3.2 -2,-0.4 3,-0.2 -0.775 16.1 177.5 -93.0 123.1 35.8 28.9 -3.1 60 77 A V >>> + 0 0 0 233,-2.5 3,-1.7 -2,-0.6 5,-1.5 0.212 44.6 116.2-109.3 16.7 36.2 25.9 -1.0 61 78 A D T 34> + 0 0 0 232,-0.4 5,-2.4 1,-0.3 -1,-0.1 0.845 69.4 58.8 -47.6 -46.7 38.8 24.2 -3.3 62 79 A L T 345S+ 0 0 1 32,-0.5 -1,-0.3 -3,-0.2 33,-0.1 0.514 126.5 12.1 -67.5 -6.4 41.6 24.2 -0.7 63 80 A R T <>5S+ 0 0 31 -3,-1.7 4,-3.0 31,-0.1 5,-0.2 0.485 134.5 36.3-130.4 -70.0 39.5 22.1 1.8 64 81 A D H X5S+ 0 0 10 -4,-1.2 4,-0.5 2,-0.2 -3,-0.2 0.930 127.9 40.1 -61.1 -47.3 36.4 20.6 0.4 65 82 A G H >44 - 0 0 42 -3,-0.1 4,-2.1 -2,-0.1 3,-0.5 -0.428 40.7 -94.9 -68.9 159.1 51.5 19.6 -1.7 75 92 A P H > S+ 0 0 83 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.822 129.5 53.8 -43.8 -37.4 52.2 23.0 -0.1 76 93 A A H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.855 106.7 49.5 -65.1 -42.8 53.1 24.2 -3.7 77 94 A R H > S+ 0 0 22 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.881 111.6 49.2 -68.6 -39.2 49.8 23.0 -5.2 78 95 A K H X S+ 0 0 6 -4,-2.1 4,-4.1 2,-0.2 5,-0.2 0.938 111.0 48.9 -61.4 -46.6 47.8 24.8 -2.4 79 96 A R H X S+ 0 0 95 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.933 112.1 49.3 -62.0 -44.4 49.7 28.0 -2.8 80 97 A R H X S+ 0 0 43 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.908 114.2 45.0 -58.9 -46.5 49.1 27.8 -6.6 81 98 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.940 112.6 52.0 -64.4 -46.7 45.4 27.2 -6.0 82 99 A F H X S+ 0 0 3 -4,-4.1 4,-2.0 1,-0.2 -2,-0.2 0.937 112.5 46.2 -52.0 -49.7 45.3 30.0 -3.4 83 100 A D H X S+ 0 0 77 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.812 110.1 52.1 -65.7 -37.4 46.9 32.4 -5.9 84 101 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.939 109.5 49.4 -63.6 -45.1 44.6 31.4 -8.8 85 102 A L H X>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 4,-1.2 0.925 111.9 49.0 -63.9 -46.2 41.5 32.0 -6.7 86 103 A V H <5S+ 0 0 16 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.909 112.7 47.2 -53.0 -52.3 42.7 35.4 -5.6 87 104 A R H <5S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.810 105.9 57.4 -66.3 -36.8 43.6 36.5 -9.1 88 105 A M H <5S- 0 0 0 -4,-2.6 236,-1.9 -5,-0.2 -1,-0.2 0.812 125.4-101.5 -61.8 -30.0 40.2 35.3 -10.5 89 106 A G T <5 + 0 0 1 -4,-1.2 509,-0.2 -3,-0.5 -3,-0.2 0.505 65.2 155.0 119.9 8.9 38.6 37.7 -8.0 90 107 A Y < - 0 0 0 -5,-2.0 -1,-0.3 1,-0.1 3,-0.1 -0.478 20.3-175.5 -66.9 136.6 37.4 35.5 -5.1 91 108 A K S S+ 0 0 1 -34,-0.5 31,-3.9 1,-0.2 2,-0.4 0.454 71.5 53.9-112.3 -11.0 37.1 37.4 -1.8 92 109 A E E + d 0 122B 0 -35,-0.4 -33,-2.3 29,-0.2 2,-0.4 -0.988 64.1 172.0-135.4 124.9 36.2 34.3 0.3 93 110 A I E -cd 59 123B 0 29,-2.0 31,-2.4 -2,-0.4 2,-0.5 -0.979 29.2-137.7-143.9 116.4 38.3 31.3 0.4 94 111 A E E + d 0 124B 0 -35,-3.2 -32,-0.5 -2,-0.4 31,-0.2 -0.704 25.2 178.3 -77.4 122.5 38.1 28.2 2.5 95 112 A V E - 0 0 0 29,-3.1 2,-0.3 -2,-0.5 30,-0.2 0.480 46.2 -52.0-109.1 -6.7 41.7 27.4 3.5 96 113 A G E - d 0 125B 0 28,-0.7 30,-2.8 11,-0.1 -1,-0.2 -0.980 34.9-100.4 164.2 180.0 41.4 24.4 5.8 97 114 A F >> + 0 0 18 -2,-0.3 3,-1.9 28,-0.2 4,-0.9 -0.685 46.3 173.3-128.2 66.6 40.2 22.4 8.8 98 115 A P T 34 + 0 0 1 0, 0.0 7,-0.4 0, 0.0 3,-0.1 0.719 68.5 62.4 -63.2 -25.4 43.3 23.1 10.8 99 116 A S T 34 S+ 0 0 14 27,-0.4 3,-0.1 1,-0.2 28,-0.1 0.718 115.9 31.3 -66.7 -22.6 42.0 21.5 14.0 100 117 A A T <4 S+ 0 0 69 -3,-1.9 2,-0.4 1,-0.2 -1,-0.2 0.416 119.9 51.4-116.1 -1.1 41.8 18.1 12.3 101 118 A S X - 0 0 40 -4,-0.9 4,-2.5 1,-0.1 -1,-0.2 -0.947 57.2-161.1-145.3 119.7 44.6 18.3 9.9 102 119 A Q H > S+ 0 0 100 -2,-0.4 4,-3.0 2,-0.2 5,-0.1 0.873 97.8 52.6 -65.4 -37.9 48.2 19.3 10.6 103 120 A T H > S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.828 110.9 49.2 -69.8 -28.3 49.0 20.1 7.0 104 121 A D H > S+ 0 0 12 2,-0.2 4,-1.7 -7,-0.2 -2,-0.2 0.892 110.2 51.8 -66.7 -47.7 45.9 22.4 7.0 105 122 A F H X S+ 0 0 29 -4,-2.5 4,-1.9 -7,-0.4 -2,-0.2 0.916 110.4 47.1 -56.8 -48.2 47.1 23.9 10.2 106 123 A D H X S+ 0 0 80 -4,-3.0 4,-3.2 1,-0.2 -2,-0.2 0.980 109.1 54.1 -59.7 -53.6 50.6 24.6 8.7 107 124 A F H X S+ 0 0 7 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.808 108.9 48.7 -47.2 -40.9 49.2 26.1 5.5 108 125 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.938 112.5 47.6 -70.9 -50.7 47.1 28.6 7.5 109 126 A R H X S+ 0 0 43 -4,-1.9 4,-3.8 2,-0.2 5,-0.3 0.935 111.4 54.1 -45.3 -56.2 50.0 29.6 9.6 110 127 A E H X S+ 0 0 55 -4,-3.2 4,-3.6 1,-0.2 5,-0.2 0.933 111.1 40.4 -48.2 -66.4 52.1 30.0 6.5 111 128 A I H <>S+ 0 0 1 -4,-2.5 5,-1.2 2,-0.2 6,-0.5 0.711 119.0 48.7 -59.4 -27.1 49.7 32.4 4.6 112 129 A I H ><5S+ 0 0 24 -4,-1.8 3,-0.8 -5,-0.2 -2,-0.2 0.935 118.7 38.0 -73.9 -49.9 49.1 34.3 7.8 113 130 A E H 3<5S+ 0 0 141 -4,-3.8 -2,-0.2 1,-0.2 -3,-0.2 0.934 114.5 54.2 -65.1 -45.5 52.9 34.6 8.7 114 131 A Q T 3<5S- 0 0 123 -4,-3.6 -1,-0.2 -5,-0.3 -3,-0.2 0.612 108.0-125.1 -58.9 -15.7 54.0 35.1 5.0 115 132 A G T < 5 + 0 0 63 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.829 61.7 146.3 62.9 33.4 51.5 38.1 4.8 116 133 A A < + 0 0 26 -5,-1.2 -4,-0.1 -6,-0.2 -5,-0.1 0.298 32.2 98.2 -80.6 -2.5 49.9 36.4 1.7 117 134 A I S S- 0 0 24 -6,-0.5 6,-0.0 -5,-0.1 5,-0.0 -0.830 71.2-132.3 -93.1 119.0 46.2 37.5 2.2 118 135 A P > - 0 0 33 0, 0.0 3,-2.0 0, 0.0 -2,-0.1 -0.304 28.3-110.5 -57.0 149.3 45.1 40.6 0.2 119 136 A D T 3 S+ 0 0 144 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.693 117.9 50.7 -63.4 -20.2 43.3 43.2 2.3 120 137 A D T 3 S+ 0 0 51 2,-0.0 2,-0.5 476,-0.0 -1,-0.3 0.298 93.2 93.7 -96.1 9.3 39.9 42.4 0.5 121 138 A V < - 0 0 0 -3,-2.0 2,-0.5 -29,-0.0 -29,-0.2 -0.861 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3,-2.6 -5,-0.1 -1,-0.3 0.397 80.2 144.8 -86.4 3.5 44.1 31.9 12.7 142 159 A S T < S+ 0 0 47 -3,-1.1 -3,-0.1 1,-0.3 47,-0.0 -0.163 76.2 11.0 -44.9 116.6 46.3 33.7 15.3 143 160 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 47,-0.2 -2,-0.1 0.121 87.2 141.0 98.1 -21.6 47.2 37.0 13.8 144 161 A A < - 0 0 0 -3,-2.6 -1,-0.3 1,-0.1 3,-0.1 -0.235 51.8-137.8 -46.4 129.3 44.8 36.9 10.7 145 162 A P S S- 0 0 68 0, 0.0 48,-2.3 0, 0.0 2,-0.3 0.831 86.0 -5.2 -67.4 -25.5 43.3 40.4 10.1 146 163 A R E S+ f 0 193B 54 46,-0.3 -23,-0.8 -25,-0.1 2,-0.3 -0.968 72.0 173.4-160.7 151.5 39.9 38.8 9.4 147 164 A A E -ef 123 194B 0 46,-1.8 48,-2.2 -2,-0.3 2,-0.5 -0.988 27.7-127.2-159.5 145.7 38.7 35.3 9.2 148 165 A I E -ef 124 195B 0 -25,-3.0 -23,-2.2 -2,-0.3 2,-0.6 -0.897 18.5-155.9 -94.4 129.7 35.5 33.3 8.9 149 166 A V E -ef 125 196B 0 46,-3.8 48,-2.4 -2,-0.5 2,-0.6 -0.953 10.0-166.9-108.7 114.2 34.9 30.6 11.4 150 167 A H E +ef 126 197B 8 -25,-2.3 -23,-3.2 -2,-0.6 2,-0.3 -0.936 9.9 176.7-102.9 108.5 32.6 28.0 10.0 151 168 A F E 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178 A R H <5S+ 0 0 117 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.1 0.970 133.1 14.3 -70.5 -55.6 19.1 8.8 15.0 162 179 A V H <5S+ 0 0 17 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.1 0.641 129.7 42.3-104.3 -20.1 22.0 6.6 13.9 163 180 A V T < - 0 0 83 -2,-0.3 4,-1.8 -3,-0.1 5,-0.2 -0.258 39.0 -93.7 -82.1 178.4 17.4 14.1 20.2 168 185 A R H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.863 123.9 49.0 -57.4 -39.6 16.5 17.5 18.7 169 186 A A H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 110.0 51.8 -72.9 -34.4 17.4 19.5 21.8 170 187 A E H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 110.6 47.4 -62.6 -43.1 20.7 17.7 22.2 171 188 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.867 109.8 52.6 -74.3 -39.6 21.8 18.5 18.7 172 189 A Q H X S+ 0 0 54 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.902 108.8 51.6 -57.1 -45.4 20.7 22.1 19.0 173 190 A A H X S+ 0 0 37 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.877 103.1 56.9 -62.9 -42.2 22.9 22.4 22.2 174 191 A I H X S+ 0 0 58 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.971 113.6 43.0 -48.8 -49.1 25.9 20.9 20.3 175 192 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.893 115.2 45.1 -61.2 -49.5 25.3 23.9 17.9 176 193 A T H X S+ 0 0 17 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.831 112.1 52.8 -73.8 -28.6 24.7 26.7 20.5 177 194 A D H X S+ 0 0 87 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.860 107.6 52.7 -69.6 -35.6 27.7 25.6 22.7 178 195 A G H X S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.947 109.8 47.2 -59.1 -51.5 29.9 25.7 19.6 179 196 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.933 110.7 53.2 -56.1 -47.3 28.7 29.3 19.0 180 197 A R H X S+ 0 0 119 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.888 109.9 48.0 -51.0 -48.8 29.3 30.1 22.8 181 198 A K H X S+ 0 0 40 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.879 110.1 51.9 -57.3 -44.5 32.8 28.8 22.4 182 199 A C H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.914 109.7 49.4 -62.0 -47.9 33.3 30.8 19.3 183 200 A V H X S+ 0 0 62 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.877 112.5 47.8 -54.3 -43.0 32.2 34.0 21.1 184 201 A E H X S+ 0 0 103 -4,-2.0 4,-0.9 -5,-0.2 3,-0.4 0.955 113.4 46.7 -67.7 -50.9 34.5 33.3 24.0 185 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