==== 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 02-DEC-05 2F8J . COMPND 2 MOLECULE: HISTIDINOL-PHOSPHATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1336 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 939 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 94 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 461 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 2 0 0 1 6 5 8 6 6 6 2 0 0 0 0 0 0 0 0 0 1 3 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 8 4 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 PARALLEL BRIDGES PER LADDER . 3 2 3 1 11 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 . 4 0 4 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 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 0 A H 0 0 154 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 27.6 -31.6 -13.6 -21.1 2 1 A M - 0 0 70 4,-0.0 5,-0.0 3,-0.0 0, 0.0 -0.877 360.0-131.7-154.5 121.3 -32.9 -11.7 -18.1 3 2 A N >> - 0 0 39 -2,-0.3 3,-1.8 1,-0.1 4,-1.4 -0.382 37.5-103.9 -68.8 154.1 -36.2 -9.7 -17.8 4 3 A P H 3> S+ 0 0 11 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.724 119.2 59.2 -60.7 -24.9 -35.7 -6.2 -16.3 5 4 A L H 3> S+ 0 0 13 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.777 106.1 48.8 -69.5 -31.0 -37.1 -7.1 -12.9 6 5 A D H <> S+ 0 0 69 -3,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.833 108.6 53.7 -74.7 -35.4 -34.4 -9.8 -12.5 7 6 A L H X S+ 0 0 77 -4,-1.4 4,-2.6 2,-0.2 3,-0.3 0.947 109.2 48.1 -64.5 -48.0 -31.7 -7.2 -13.5 8 7 A I H X S+ 0 0 1 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.926 109.8 52.5 -54.0 -48.9 -32.9 -4.8 -10.8 9 8 A A H < S+ 0 0 38 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.808 112.2 47.8 -59.3 -31.0 -32.9 -7.7 -8.2 10 9 A K H < S+ 0 0 88 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.928 121.6 31.0 -73.0 -49.1 -29.2 -8.4 -9.3 11 10 A R H < S+ 0 0 82 -4,-2.6 2,-0.3 -5,-0.1 -2,-0.2 0.836 108.9 68.3 -86.6 -32.9 -27.9 -4.8 -9.2 12 11 A A S < S- 0 0 5 -4,-3.1 550,-0.1 -5,-0.3 3,-0.1 -0.678 81.9-112.1-100.4 142.3 -29.9 -3.1 -6.4 13 12 A Y - 0 0 101 -2,-0.3 -1,-0.1 99,-0.2 -2,-0.1 -0.301 44.9 -96.2 -61.7 146.9 -29.9 -3.8 -2.7 14 13 A P - 0 0 61 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.304 33.4-110.6 -65.5 149.4 -33.0 -5.4 -1.2 15 14 A Y + 0 0 61 542,-0.2 2,-0.4 -3,-0.1 546,-0.1 -0.726 47.0 174.3 -77.5 123.9 -35.7 -3.2 0.5 16 15 A E - 0 0 160 -2,-0.5 2,-0.3 545,-0.0 -3,-0.0 -0.974 21.9-151.3-141.0 119.3 -35.5 -4.0 4.1 17 16 A T - 0 0 80 -2,-0.4 2,-0.2 1,-0.0 -2,-0.0 -0.669 23.0-126.7 -87.1 147.4 -37.4 -2.4 7.0 18 17 A E - 0 0 81 -2,-0.3 2,-0.5 0, 0.0 372,-0.1 -0.600 3.5-133.6 -95.0 154.0 -35.8 -2.3 10.5 19 18 A K - 0 0 193 -2,-0.2 2,-0.5 0, 0.0 0, 0.0 -0.930 30.2-129.5-104.0 126.1 -37.1 -3.4 13.9 20 19 A R - 0 0 87 -2,-0.5 4,-0.1 4,-0.0 2,-0.0 -0.648 13.7-144.9 -87.8 120.9 -36.5 -0.8 16.6 21 20 A D - 0 0 60 -2,-0.5 3,-0.2 2,-0.1 285,-0.1 -0.298 33.3-101.5 -72.2 163.4 -34.8 -1.6 19.9 22 21 A K S S+ 0 0 178 1,-0.3 2,-0.5 284,-0.0 284,-0.2 0.760 120.9 36.7 -60.5 -31.4 -35.8 0.1 23.1 23 22 A T E S-a 306 0A 20 282,-1.7 284,-2.5 301,-0.0 2,-0.6 -0.920 81.7-175.4-120.9 99.8 -32.7 2.3 22.9 24 23 A Y E +a 307 0A 30 -2,-0.5 284,-0.1 -3,-0.2 3,-0.1 -0.882 20.2 154.8-104.9 114.1 -32.2 3.1 19.2 25 24 A L + 0 0 4 282,-2.5 293,-2.1 -2,-0.6 284,-0.5 -0.286 46.7 95.4-129.7 45.8 -29.0 5.1 18.4 26 25 A A S S+ 0 0 1 282,-0.2 -1,-0.1 291,-0.2 282,-0.1 0.455 73.6 47.8-125.6 -5.0 -28.4 4.0 14.8 27 26 A L S S- 0 0 39 -3,-0.1 -1,-0.1 2,-0.1 290,-0.1 0.211 99.9-109.9-128.2 14.8 -30.0 6.6 12.3 28 27 A N + 0 0 0 1,-0.2 2,-0.2 288,-0.1 255,-0.1 0.773 61.3 162.6 59.6 33.0 -28.7 9.9 13.6 29 28 A E - 0 0 9 1,-0.1 -1,-0.2 177,-0.0 174,-0.1 -0.481 46.0-102.2 -80.1 148.2 -32.3 11.0 14.7 30 29 A N - 0 0 0 172,-0.5 -1,-0.1 356,-0.4 290,-0.1 -0.461 24.8-136.6 -60.5 141.7 -32.9 13.8 17.2 31 30 A P S S+ 0 0 8 0, 0.0 290,-0.1 0, 0.0 -1,-0.1 0.677 79.4 78.6 -73.2 -17.8 -33.7 12.4 20.7 32 31 A F S S- 0 0 38 1,-0.1 -2,-0.1 354,-0.1 223,-0.0 -0.725 79.8-120.0-104.3 141.1 -36.6 14.8 21.2 33 32 A P - 0 0 41 0, 0.0 350,-0.2 0, 0.0 349,-0.1 -0.260 45.0 -89.3 -65.3 159.1 -40.2 14.7 19.8 34 33 A F - 0 0 1 348,-1.8 351,-0.1 172,-0.2 5,-0.1 -0.569 63.1 -90.3 -67.3 135.2 -41.4 17.5 17.7 35 34 A P > - 0 0 14 0, 0.0 4,-1.5 0, 0.0 3,-0.3 -0.205 28.1-138.9 -55.9 136.5 -42.8 20.1 20.1 36 35 A E H > S+ 0 0 137 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.848 102.0 57.1 -63.7 -39.9 -46.6 19.6 20.9 37 36 A D H > S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.841 108.4 48.1 -55.9 -38.7 -47.3 23.3 20.8 38 37 A L H > S+ 0 0 10 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.775 106.6 55.3 -78.1 -30.3 -45.9 23.5 17.3 39 38 A V H X S+ 0 0 11 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.908 110.3 46.9 -63.4 -44.0 -47.9 20.4 16.1 40 39 A D H X S+ 0 0 74 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.859 109.0 54.8 -66.3 -37.2 -51.1 22.3 17.3 41 40 A E H X S+ 0 0 37 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.898 107.9 49.3 -60.7 -42.2 -49.9 25.4 15.6 42 41 A V H X S+ 0 0 0 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.935 111.6 48.5 -58.8 -48.2 -49.6 23.5 12.3 43 42 A F H < S+ 0 0 77 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.890 112.2 51.2 -58.6 -41.0 -53.1 22.0 12.8 44 43 A R H < S+ 0 0 167 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.873 111.6 44.6 -63.2 -44.0 -54.3 25.6 13.5 45 44 A R H < S+ 0 0 75 -4,-2.2 -1,-0.2 -5,-0.1 2,-0.2 0.566 89.7 118.2 -76.1 -9.4 -52.8 27.1 10.3 46 45 A L < - 0 0 19 -4,-0.8 2,-0.6 -3,-0.5 3,-0.1 -0.400 52.3-154.8 -75.6 129.4 -54.0 24.2 8.2 47 46 A N >> - 0 0 89 -2,-0.2 4,-1.0 1,-0.1 3,-0.8 -0.913 3.2-160.6-108.2 112.1 -56.5 25.0 5.4 48 47 A S T 34 S+ 0 0 13 -2,-0.6 320,-2.2 1,-0.3 4,-0.4 0.761 92.6 58.5 -68.5 -26.9 -58.7 22.0 4.6 49 48 A D T >4 S+ 0 0 59 318,-0.3 3,-0.7 1,-0.2 -1,-0.3 0.795 100.7 56.7 -66.6 -32.0 -59.5 23.5 1.2 50 49 A A G X4 S+ 0 0 10 -3,-0.8 3,-1.6 1,-0.2 -2,-0.2 0.808 92.7 71.5 -68.6 -28.4 -55.8 23.5 0.4 51 50 A L G 3< S+ 0 0 0 -4,-1.0 492,-2.2 1,-0.3 493,-0.4 0.791 93.8 54.3 -58.4 -27.8 -55.6 19.8 1.0 52 51 A R G < S+ 0 0 52 -3,-0.7 312,-0.5 -4,-0.4 2,-0.3 0.518 97.9 77.8 -86.8 -9.2 -57.6 19.1 -2.2 53 52 A I S < S- 0 0 26 -3,-1.6 2,-1.1 -4,-0.2 -3,-0.0 -0.700 91.5-102.8-102.7 155.2 -55.2 21.0 -4.6 54 53 A Y - 0 0 22 -2,-0.3 2,-0.3 489,-0.1 489,-0.2 -0.677 52.9-147.8 -68.2 99.7 -51.9 20.3 -6.2 55 54 A Y - 0 0 48 -2,-1.1 179,-0.2 487,-0.2 4,-0.0 -0.608 17.2 -98.9 -84.2 134.2 -50.1 22.5 -3.7 56 55 A D - 0 0 59 -2,-0.3 3,-0.4 176,-0.1 -1,-0.1 -0.196 35.2-129.6 -52.0 135.8 -46.9 24.3 -4.8 57 56 A S S S+ 0 0 0 174,-0.4 176,-0.2 1,-0.4 25,-0.1 -0.947 97.7 15.4-132.5 106.8 -43.7 22.7 -3.8 58 57 A P S S- 0 0 21 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 0.641 92.2-151.6 -82.6 150.9 -42.0 24.8 -2.5 59 58 A D > - 0 0 11 -3,-0.4 4,-1.5 -2,-0.1 -4,-0.0 -0.388 29.4-106.6 -76.4 167.8 -44.5 27.5 -1.8 60 59 A E H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.873 116.6 54.6 -66.0 -39.8 -43.2 31.1 -1.7 61 60 A E H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 105.1 52.5 -62.6 -42.7 -43.5 31.5 2.0 62 61 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 110.6 49.2 -60.5 -41.8 -41.4 28.4 2.7 63 62 A I H X S+ 0 0 13 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.936 108.6 52.3 -61.7 -50.0 -38.7 29.8 0.5 64 63 A E H X S+ 0 0 80 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.903 111.6 47.5 -50.3 -45.9 -38.8 33.2 2.2 65 64 A K H X S+ 0 0 38 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.847 109.5 51.5 -70.1 -36.7 -38.3 31.5 5.6 66 65 A I H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.893 110.8 50.0 -63.1 -41.6 -35.4 29.3 4.4 67 66 A L H X>S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 5,-0.6 0.902 109.3 50.6 -62.9 -44.5 -33.7 32.4 3.0 68 67 A S H <5S+ 0 0 71 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.854 110.8 49.9 -58.0 -39.9 -34.1 34.2 6.3 69 68 A Y H <5S+ 0 0 46 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.878 110.7 48.7 -66.6 -39.5 -32.7 31.2 8.1 70 69 A L H <5S- 0 0 24 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.816 94.1-162.2 -70.8 -36.0 -29.7 31.1 5.7 71 70 A D T <5 + 0 0 134 -4,-2.2 2,-0.2 -5,-0.2 -3,-0.1 0.875 30.8 141.3 59.4 52.6 -29.3 34.9 6.4 72 71 A T < - 0 0 28 -5,-0.6 -1,-0.2 3,-0.1 -2,-0.1 -0.695 52.9-136.6-111.7 170.5 -27.1 36.0 3.5 73 72 A D S S+ 0 0 79 -2,-0.2 717,-1.9 716,-0.1 -1,-0.1 0.731 97.9 50.3 -91.0 -23.6 -27.3 39.1 1.4 74 73 A F S S+ 0 0 4 715,-0.2 2,-0.3 718,-0.1 717,-0.1 0.491 83.9 94.3-104.0 -8.5 -26.8 37.4 -1.9 75 74 A L + 0 0 1 715,-0.1 2,-0.2 -8,-0.1 715,-0.1 -0.708 46.4 179.5 -90.6 140.7 -29.3 34.6 -2.1 76 75 A S > - 0 0 8 -2,-0.3 3,-2.0 713,-0.1 4,-0.2 -0.692 49.6 -85.1-121.5 179.3 -32.7 34.9 -3.8 77 76 A K G > S+ 0 0 92 1,-0.3 3,-1.0 -2,-0.2 -2,-0.0 0.729 124.5 63.8 -55.5 -26.9 -35.7 32.6 -4.3 78 77 A N G 3 S+ 0 0 57 1,-0.2 -1,-0.3 689,-0.1 144,-0.2 0.456 95.8 58.8 -79.1 -3.3 -33.9 31.3 -7.5 79 78 A N G < S+ 0 0 13 -3,-2.0 138,-2.3 143,-0.1 2,-0.4 0.372 100.8 64.9-101.4 0.8 -31.1 29.9 -5.5 80 79 A V E < +B 216 0B 5 -3,-1.0 2,-0.3 136,-0.2 136,-0.2 -0.974 49.8 158.3-134.1 136.5 -33.2 27.6 -3.4 81 80 A S E -B 215 0B 0 134,-1.9 134,-2.3 -2,-0.4 2,-0.3 -0.904 26.7-120.3-141.5 179.8 -35.3 24.5 -3.9 82 81 A V E -B 214 0B 0 -2,-0.3 2,-0.3 132,-0.2 132,-0.3 -0.790 14.2-162.2-123.2 162.3 -36.7 21.6 -1.9 83 82 A G E -B 213 0B 0 130,-2.2 130,-2.2 -2,-0.3 2,-1.9 -0.955 39.3-105.0-137.6 156.8 -36.7 17.8 -1.8 84 83 A N E > S-B 212 0B 7 -2,-0.3 4,-0.6 128,-0.2 128,-0.2 -0.637 105.5 -31.0 -74.6 78.8 -38.6 14.9 -0.3 85 84 A G H >> S- 0 0 0 -2,-1.9 4,-0.8 126,-0.6 3,-0.5 0.042 82.5 -85.0 80.1 158.4 -35.8 14.6 2.2 86 85 A A H 3> S+ 0 0 11 126,-0.2 4,-2.4 1,-0.2 5,-0.2 0.780 128.6 72.6 -59.4 -28.8 -32.2 15.4 1.3 87 86 A D H 3> S+ 0 0 12 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.884 93.8 50.1 -53.4 -44.0 -32.3 11.8 0.0 88 87 A E H X S+ 0 0 2 -4,-2.6 4,-1.1 1,-0.2 3,-1.0 0.918 108.6 56.5 -65.0 -45.1 -32.1 13.5 -8.5 93 92 A M H >X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.3 3,-0.6 0.878 103.1 56.3 -53.4 -38.4 -28.5 14.8 -8.7 94 93 A M H 3< S+ 0 0 5 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.798 107.4 48.4 -64.4 -29.4 -27.5 11.3 -9.6 95 94 A L H << S+ 0 0 33 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.664 110.1 55.6 -75.4 -21.2 -29.9 11.4 -12.5 96 95 A M H << S+ 0 0 13 -4,-1.1 2,-0.2 -3,-0.6 -2,-0.2 0.783 100.8 55.5 -84.8 -33.6 -28.6 14.8 -13.6 97 96 A F S < S- 0 0 15 -4,-1.4 44,-0.1 1,-0.1 3,-0.1 -0.672 76.7-123.7-108.5 158.2 -24.9 14.2 -14.0 98 97 A D S S+ 0 0 128 42,-1.2 22,-0.5 -2,-0.2 2,-0.3 0.857 94.7 15.2 -66.8 -37.0 -22.8 11.7 -16.1 99 98 A R E -c 141 0B 60 41,-1.7 43,-2.4 20,-0.1 2,-0.4 -1.000 64.7-144.4-145.6 140.5 -20.9 10.2 -13.1 100 99 A S E -cd 142 121B 1 20,-2.3 22,-2.7 -2,-0.3 2,-0.4 -0.872 17.5-167.4-105.0 135.8 -21.3 10.3 -9.3 101 100 A V E +cd 143 122B 0 41,-2.7 43,-3.0 -2,-0.4 2,-0.3 -0.972 14.2 158.4-126.8 132.2 -18.1 10.4 -7.1 102 101 A F E - d 0 123B 0 20,-2.0 22,-1.8 -2,-0.4 43,-0.1 -0.964 31.3-127.9-151.1 167.9 -17.9 9.7 -3.4 103 102 A F - 0 0 6 41,-0.4 23,-0.1 -2,-0.3 20,-0.1 -0.862 35.6-104.3-131.9 94.8 -15.3 8.8 -0.8 104 103 A P S S+ 0 0 32 0, 0.0 22,-3.2 0, 0.0 2,-0.1 -0.266 103.2 54.7 -56.9 142.0 -15.7 5.9 1.7 105 104 A P S S+ 0 0 55 0, 0.0 47,-0.3 0, 0.0 2,-0.2 0.389 96.8 119.9 -74.7 126.8 -16.3 5.9 4.6 106 105 A T - 0 0 18 43,-0.1 2,-0.1 45,-0.1 39,-0.1 -0.711 69.8 -40.0-143.8-176.2 -19.3 8.0 3.5 107 106 A Y >> - 0 0 41 -2,-0.2 3,-1.3 1,-0.1 4,-0.5 -0.416 50.5-139.3 -58.4 128.4 -23.1 8.2 3.5 108 107 A S H 3> S+ 0 0 65 1,-0.3 4,-1.3 2,-0.2 3,-0.2 0.747 94.9 64.8 -66.1 -23.8 -24.4 4.7 2.8 109 108 A C H 3> S+ 0 0 17 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.656 85.3 72.0 -76.0 -18.4 -27.1 5.8 0.5 110 109 A Y H <> S+ 0 0 0 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.967 105.2 37.7 -60.4 -53.6 -24.8 7.2 -2.1 111 110 A R H X S+ 0 0 87 -4,-0.5 4,-2.5 -3,-0.2 5,-0.2 0.933 117.7 52.1 -63.0 -46.3 -23.8 3.7 -3.3 112 111 A I H X S+ 0 0 59 -4,-1.3 4,-2.4 1,-0.2 -99,-0.2 0.903 113.7 41.8 -56.6 -48.3 -27.3 2.4 -2.8 113 112 A F H X S+ 0 0 4 -4,-3.0 4,-2.6 2,-0.2 6,-0.3 0.876 111.3 55.6 -71.0 -40.4 -29.0 5.1 -4.9 114 113 A A H X>S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.3 4,-0.6 0.939 114.9 40.2 -52.0 -50.5 -26.3 5.0 -7.6 115 114 A K H <5S+ 0 0 27 -4,-2.5 3,-0.4 3,-0.2 -2,-0.2 0.862 112.0 57.3 -68.8 -38.7 -26.9 1.2 -7.9 116 115 A A H <5S+ 0 0 2 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.942 117.4 32.0 -55.7 -50.9 -30.7 1.7 -7.6 117 116 A V H <5S- 0 0 19 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.408 111.7-115.1 -91.1 0.5 -30.9 4.1 -10.5 118 117 A G T <5 + 0 0 52 -4,-0.6 -3,-0.2 -3,-0.4 2,-0.2 0.825 54.1 168.7 67.8 33.2 -28.0 2.5 -12.5 119 118 A A < - 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