==== 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 05-MAR-07 2EH6 . COMPND 2 MOLECULE: ACETYLORNITHINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR H.MIZUTANI,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 750 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 554 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 47 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 5 1 2 1 0 2 0 1 1 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 5 3 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 0 PARALLEL BRIDGES PER LADDER . 2 2 4 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 4 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 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 1 A T 0 0 111 0, 0.0 4,-0.1 0, 0.0 448,-0.0 0.000 360.0 360.0 360.0 154.3 46.8 0.2 14.4 2 2 A Y + 0 0 72 462,-0.1 463,-2.7 2,-0.1 2,-0.3 0.329 360.0 87.7-101.9 0.5 46.2 3.9 14.0 3 3 A L B S-a 465 0A 7 461,-0.3 463,-0.2 1,-0.1 626,-0.0 -0.773 83.7-107.2-104.7 150.1 43.8 4.0 17.0 4 4 A M - 0 0 7 461,-2.5 3,-0.4 -2,-0.3 2,-0.2 -0.332 29.8-120.1 -67.9 157.0 44.7 4.6 20.7 5 5 A N S S+ 0 0 99 633,-0.4 637,-0.1 630,-0.3 -1,-0.1 -0.128 74.4 118.7 -93.6 39.1 44.4 1.5 22.9 6 6 A N + 0 0 3 634,-0.2 635,-2.7 -2,-0.2 637,-0.5 0.520 63.7 69.4 -82.1 -4.8 41.7 2.9 25.3 7 7 A Y - 0 0 34 -3,-0.4 2,-0.6 633,-0.2 435,-0.1 -0.808 67.5-144.5-115.3 157.5 39.2 0.2 24.4 8 8 A A - 0 0 86 -2,-0.3 2,-0.2 433,-0.1 -3,-0.0 -0.779 37.9-170.2-114.8 77.8 38.9 -3.6 25.0 9 9 A R - 0 0 51 -2,-0.6 434,-0.3 434,-0.1 433,-0.1 -0.497 22.3-123.6 -77.7 140.0 37.2 -4.3 21.7 10 10 A L E -h 443 0B 38 432,-2.9 2,-2.3 -2,-0.2 434,-0.9 -0.556 34.8-108.5 -76.3 144.8 35.7 -7.7 20.9 11 11 A P E S+ 0 0 99 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.325 81.2 110.3 -76.3 62.4 37.2 -9.2 17.7 12 12 A V E - 0 0 6 -2,-2.3 432,-1.4 12,-0.0 2,-0.7 -0.999 51.8-155.0-137.6 132.2 34.1 -8.7 15.4 13 13 A K E -h 444 0B 79 -2,-0.4 12,-1.9 430,-0.1 13,-0.2 -0.884 12.0-161.2-111.7 102.9 33.8 -6.3 12.5 14 14 A F E +I 24 0C 0 -2,-0.7 10,-0.3 430,-0.6 3,-0.1 -0.486 17.6 169.9 -79.9 150.7 30.2 -5.3 11.7 15 15 A V E + 0 0 46 8,-2.6 2,-0.3 1,-0.4 9,-0.2 0.552 61.8 13.9-132.3 -23.8 29.5 -3.8 8.3 16 16 A R E -I 23 0C 115 7,-1.4 7,-2.6 2,-0.0 -1,-0.4 -0.996 55.7-156.8-156.0 153.1 25.7 -3.7 8.1 17 17 A G E -I 22 0C 1 418,-2.2 2,-0.3 -2,-0.3 5,-0.2 -0.965 5.8-176.4-134.4 151.9 22.5 -4.0 10.1 18 18 A K E > -I 21 0C 113 3,-2.5 3,-1.8 -2,-0.3 2,-0.3 -0.896 63.4 -44.9-148.7 114.6 18.9 -4.9 9.4 19 19 A G B 3 S-L 44 0D 25 25,-2.5 25,-2.9 -2,-0.3 27,-0.1 -0.473 124.2 -18.4 66.4-126.1 16.2 -4.8 12.1 20 20 A V T 3 S+ 0 0 7 -2,-0.3 12,-3.2 23,-0.2 2,-0.3 0.190 122.3 90.9 -99.1 15.7 17.5 -6.4 15.2 21 21 A Y E < -IJ 18 31C 46 -3,-1.8 -3,-2.5 10,-0.2 2,-0.3 -0.864 54.7-162.6-115.9 148.6 20.3 -8.2 13.4 22 22 A L E -IJ 17 30C 2 8,-2.3 8,-2.5 -2,-0.3 2,-0.4 -0.925 7.2-152.8-124.3 149.4 23.9 -7.2 12.6 23 23 A Y E -IJ 16 29C 60 -7,-2.6 -8,-2.6 -2,-0.3 -7,-1.4 -0.989 9.1-150.3-126.6 130.7 26.2 -8.8 10.0 24 24 A D E > -I 14 0C 14 4,-1.7 3,-2.4 -2,-0.4 -10,-0.3 -0.241 41.7 -82.7 -90.1-177.8 30.0 -8.9 10.2 25 25 A E T 3 S+ 0 0 103 -12,-1.9 -11,-0.1 1,-0.3 -1,-0.1 0.683 130.1 54.0 -59.2 -21.9 32.7 -8.8 7.4 26 26 A E T 3 S- 0 0 162 -13,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.374 117.7-112.5 -92.9 4.3 32.2 -12.6 7.0 27 27 A G < + 0 0 51 -3,-2.4 -2,-0.1 1,-0.3 2,-0.1 0.511 64.6 153.3 82.5 1.1 28.5 -12.2 6.5 28 28 A K - 0 0 73 1,-0.1 -4,-1.7 -5,-0.1 2,-0.4 -0.416 40.0-128.5 -70.8 144.1 27.7 -14.0 9.7 29 29 A E E -J 23 0C 93 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.756 22.8-170.4 -97.6 138.0 24.4 -12.9 11.3 30 30 A Y E -J 22 0C 12 -8,-2.5 -8,-2.3 -2,-0.4 2,-0.6 -0.993 23.4-133.1-132.3 134.0 24.0 -11.8 14.9 31 31 A L E -Jk 21 341C 10 309,-2.9 311,-2.6 -2,-0.4 2,-0.9 -0.735 33.5-134.0 -81.1 122.8 20.9 -11.2 17.0 32 32 A D E + k 0 342C 1 -12,-3.2 311,-0.1 -2,-0.6 309,-0.1 -0.703 42.4 156.4 -90.5 102.3 21.6 -7.8 18.7 33 33 A F S S+ 0 0 1 309,-1.5 321,-2.9 -2,-0.9 311,-0.2 0.011 76.3 52.6-108.8 26.7 20.8 -7.7 22.4 34 34 A V S >> S- 0 0 2 319,-0.2 4,-2.1 309,-0.1 3,-1.9 0.513 78.6-158.9-128.3 -25.7 23.1 -4.9 23.1 35 35 A S H 3>>S- 0 0 0 1,-0.3 5,-2.4 2,-0.2 4,-2.2 0.808 74.1 -57.5 42.4 42.2 22.0 -2.3 20.5 36 36 A G H 345S- 0 0 1 403,-0.2 -1,-0.3 1,-0.2 405,-0.1 0.817 110.8 -44.1 62.6 32.2 25.4 -0.5 20.7 37 37 A I H <45S- 0 0 28 -3,-1.9 -2,-0.2 317,-0.1 -1,-0.2 0.912 115.8 -45.1 75.6 50.6 24.8 0.0 24.5 38 38 A G H <5S+ 0 0 4 -4,-2.1 204,-0.8 316,-0.5 3,-0.2 0.724 115.0 109.6 70.3 24.0 21.1 1.1 24.3 39 39 A V T <5 + 0 0 0 -4,-2.2 2,-2.4 -5,-0.3 206,-0.3 0.847 59.7 66.7 -96.3 -43.6 21.6 3.5 21.4 40 40 A N > < + 0 0 2 -5,-2.4 3,-2.2 1,-0.2 -1,-0.2 -0.381 60.7 164.8 -80.9 65.5 19.9 1.7 18.5 41 41 A S T 3 S+ 0 0 2 -2,-2.4 316,-2.3 1,-0.3 317,-0.5 0.787 77.4 36.3 -50.7 -37.0 16.5 2.1 20.0 42 42 A L T 3 S- 0 0 1 1,-0.4 -1,-0.3 -3,-0.2 -23,-0.1 0.104 112.2-122.0-106.1 21.2 14.7 1.3 16.7 43 43 A G < - 0 0 3 -3,-2.2 -1,-0.4 -23,-0.1 3,-0.3 -0.300 50.6 -40.2 71.8-160.4 17.3 -1.3 15.5 44 44 A H B S+L 19 0D 7 -25,-2.9 -25,-2.5 1,-0.2 -23,-0.1 -0.759 118.0 6.9-107.1 151.2 19.1 -0.9 12.2 45 45 A A S S- 0 0 18 388,-0.3 -1,-0.2 -2,-0.3 389,-0.1 0.813 75.8-175.6 52.4 33.8 17.8 0.4 8.9 46 46 A Y > - 0 0 46 -3,-0.3 4,-3.0 1,-0.1 3,-0.4 -0.491 24.5-134.4 -62.6 115.6 14.5 1.3 10.5 47 47 A P H > S+ 0 0 77 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.847 99.7 45.2 -38.2 -59.1 12.5 2.4 7.4 48 48 A K H > S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.903 117.4 45.8 -59.6 -40.8 11.0 5.6 8.9 49 49 A L H > S+ 0 0 4 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.959 113.0 49.1 -66.8 -50.3 14.3 6.6 10.3 50 50 A T H X S+ 0 0 6 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.907 111.7 47.8 -55.5 -48.1 16.3 5.9 7.2 51 51 A E H X S+ 0 0 107 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.892 112.5 49.4 -64.1 -38.6 14.0 7.8 4.9 52 52 A A H X S+ 0 0 10 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.904 113.0 46.6 -66.9 -41.6 13.9 10.8 7.1 53 53 A L H X S+ 0 0 1 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.921 110.8 51.2 -68.0 -43.5 17.7 11.0 7.5 54 54 A K H X S+ 0 0 39 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.903 111.4 49.0 -60.2 -39.9 18.3 10.5 3.7 55 55 A E H X S+ 0 0 81 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.910 113.5 46.8 -66.0 -41.0 15.9 13.4 3.1 56 56 A Q H >X S+ 0 0 15 -4,-2.1 4,-2.4 1,-0.2 3,-1.2 0.916 105.6 57.8 -68.0 -44.1 17.6 15.6 5.7 57 57 A V H 3< S+ 0 0 2 -4,-3.2 364,-0.2 1,-0.3 -1,-0.2 0.841 105.0 53.2 -55.5 -33.2 21.1 14.8 4.4 58 58 A E H 3< S+ 0 0 93 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.740 119.7 32.6 -74.2 -23.2 20.0 16.1 1.0 59 59 A K H << S- 0 0 63 -3,-1.2 334,-1.7 -4,-0.7 2,-0.3 0.892 126.0 -15.6 -99.3 -57.0 18.8 19.4 2.5 60 60 A L < + 0 0 2 -4,-2.4 -1,-0.2 332,-0.2 3,-0.1 -0.924 39.6 174.6-160.2 130.2 20.8 20.6 5.5 61 61 A L S S- 0 0 16 1,-0.3 215,-0.9 -2,-0.3 2,-0.3 0.804 74.9 -3.2-101.0 -39.5 23.3 19.0 7.9 62 62 A H + 0 0 0 212,-0.2 -1,-0.3 213,-0.1 209,-0.1 -0.981 43.0 159.5-158.8 133.0 24.4 21.9 10.1 63 63 A V - 0 0 0 -2,-0.3 3,-0.3 -3,-0.1 349,-0.3 0.494 51.6-125.4-124.9 -17.0 23.9 25.7 10.4 64 64 A S > - 0 0 3 1,-0.1 3,-1.3 2,-0.1 206,-0.1 0.089 30.3 -79.9 84.0 159.2 25.0 26.3 14.0 65 65 A N T 3 S+ 0 0 12 204,-0.4 319,-0.2 205,-0.3 -1,-0.1 0.185 108.4 94.7 -81.0 17.6 23.1 28.0 16.9 66 66 A L T 3 S+ 0 0 40 -3,-0.3 320,-3.5 319,-0.1 -1,-0.3 0.753 93.9 36.9 -68.3 -27.6 24.1 31.4 15.4 67 67 A Y B < S-m 386 0E 2 -3,-1.3 2,-0.2 318,-0.3 322,-0.2 -0.636 107.4 -72.7-116.3 177.9 20.7 31.2 13.7 68 68 A E - 0 0 78 320,-2.3 322,-0.5 318,-0.7 3,-0.1 -0.529 36.6-161.9 -71.9 134.3 17.2 29.9 14.5 69 69 A N >> + 0 0 5 -2,-0.2 3,-2.0 1,-0.1 4,-1.1 -0.754 10.1 179.8-120.1 81.2 17.0 26.1 14.6 70 70 A P H 3> S+ 0 0 44 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.792 80.3 63.6 -50.8 -33.9 13.2 25.4 14.2 71 71 A W H 3> S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.811 98.4 55.7 -63.5 -29.1 13.9 21.6 14.3 72 72 A Q H <> S+ 0 0 4 -3,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.918 106.0 51.0 -67.9 -43.0 15.3 22.1 17.9 73 73 A E H X S+ 0 0 63 -4,-1.1 4,-2.5 1,-0.2 -2,-0.2 0.939 109.8 49.9 -58.2 -49.1 11.9 23.7 18.9 74 74 A E H X S+ 0 0 102 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.901 114.5 42.3 -58.2 -46.7 9.9 20.8 17.5 75 75 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.914 112.9 53.1 -68.9 -42.4 12.0 18.1 19.2 76 76 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.927 105.8 55.3 -57.4 -44.7 12.1 20.0 22.5 77 77 A H H X S+ 0 0 89 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.901 108.3 47.7 -55.2 -44.3 8.3 20.3 22.4 78 78 A K H X S+ 0 0 42 -4,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.873 113.6 47.2 -67.3 -36.4 7.9 16.6 22.2 79 79 A L H < S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.2 4,-0.4 0.875 112.9 48.1 -72.8 -37.3 10.4 15.9 25.0 80 80 A V H >< S+ 0 0 6 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.869 99.6 67.9 -70.6 -35.1 8.8 18.5 27.3 81 81 A K H 3< S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.808 105.1 42.9 -53.5 -32.4 5.3 17.1 26.6 82 82 A H T 3< S+ 0 0 41 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.529 93.5 102.9 -92.8 -7.2 6.3 14.0 28.5 83 83 A F S < S- 0 0 13 -3,-1.5 4,-0.1 -4,-0.4 150,-0.0 -0.390 82.6-117.1 -73.9 155.3 8.1 15.8 31.3 84 84 A W S S+ 0 0 95 150,-0.1 2,-0.2 148,-0.1 -1,-0.1 0.709 90.9 5.9 -67.3 -21.0 6.2 16.1 34.7 85 85 A T S S- 0 0 46 -5,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.835 101.0 -57.1-147.4-175.6 6.1 19.9 34.5 86 86 A E + 0 0 116 -2,-0.2 170,-2.1 169,-0.0 2,-0.3 -0.490 68.3 147.4 -70.7 138.1 6.9 22.9 32.2 87 87 A G E -N 255 0F 0 168,-0.3 2,-0.3 -2,-0.2 168,-0.3 -0.923 37.8-122.0-158.1-178.7 10.5 23.0 31.1 88 88 A K E -N 254 0F 26 166,-2.5 166,-2.3 -2,-0.3 2,-0.3 -0.886 20.1-134.9-132.3 165.0 13.1 23.8 28.5 89 89 A V E -No 253 379F 2 289,-2.2 291,-2.2 -2,-0.3 2,-0.4 -0.924 7.9-163.9-127.0 147.2 15.8 21.9 26.6 90 90 A F E -N 252 0F 4 162,-2.0 162,-1.8 -2,-0.3 2,-0.4 -1.000 23.8-137.9-125.7 127.7 19.4 22.4 25.7 91 91 A F E +N 251 0F 4 -2,-0.4 160,-0.3 160,-0.2 2,-0.2 -0.748 28.4 165.0 -94.8 130.8 20.8 20.1 23.0 92 92 A A E -N 250 0F 1 158,-2.4 158,-1.7 -2,-0.4 181,-0.6 -0.438 41.0-114.8-121.3-163.1 24.3 18.5 23.2 93 93 A N S S+ 0 0 1 156,-0.3 2,-0.3 -2,-0.2 156,-0.2 0.492 84.4 16.7-118.9 -5.3 26.0 15.7 21.3 94 94 A S S > S- 0 0 5 154,-0.2 4,-1.4 1,-0.1 -1,-0.2 -0.957 76.6-101.1-157.2 172.2 26.5 13.0 23.9 95 95 A G H > S+ 0 0 13 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.890 120.1 50.8 -68.0 -40.6 25.5 11.8 27.3 96 96 A T H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 108.7 50.5 -66.9 -39.9 28.6 13.2 28.9 97 97 A E H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.848 110.4 53.2 -64.5 -31.5 28.1 16.6 27.4 98 98 A S H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.937 108.3 46.1 -68.7 -48.2 24.6 16.4 28.7 99 99 A V H X S+ 0 0 5 -4,-2.3 4,-2.4 29,-0.3 5,-0.2 0.906 111.2 55.0 -61.7 -38.2 25.6 15.7 32.3 100 100 A E H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.915 107.1 49.5 -59.6 -44.0 28.2 18.4 32.0 101 101 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.870 110.3 51.6 -63.1 -37.4 25.4 20.9 31.0 102 102 A A H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.918 109.1 48.7 -65.6 -45.8 23.3 19.8 34.0 103 103 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.903 113.9 47.3 -60.7 -43.0 26.2 20.3 36.5 104 104 A K H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.930 111.7 49.4 -65.2 -45.8 26.8 23.7 35.1 105 105 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.889 110.3 51.2 -61.0 -41.3 23.2 24.7 35.1 106 106 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.902 112.2 45.7 -64.1 -43.8 22.7 23.6 38.7 107 107 A R H X S+ 0 0 2 -4,-1.9 4,-1.5 1,-0.2 10,-0.2 0.940 115.3 45.3 -66.2 -47.1 25.8 25.6 39.9 108 108 A K H X S+ 0 0 7 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.863 105.1 64.6 -65.2 -33.5 24.8 28.8 38.1 109 109 A Y H X S+ 0 0 10 -4,-2.3 4,-0.9 -5,-0.3 -1,-0.2 0.939 106.8 40.6 -52.5 -53.3 21.2 28.3 39.3 110 110 A W H <>S+ 0 0 3 -4,-1.5 5,-2.7 1,-0.2 -1,-0.2 0.797 112.2 56.6 -68.3 -30.1 22.2 28.8 42.9 111 111 A R H ><5S+ 0 0 105 -4,-1.5 3,-1.5 411,-0.2 -1,-0.2 0.896 104.2 52.6 -68.5 -40.1 24.6 31.6 42.0 112 112 A D H 3<5S+ 0 0 74 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.786 107.5 53.5 -63.2 -27.2 21.8 33.6 40.3 113 113 A K T 3<5S- 0 0 92 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.389 119.5-110.2 -90.3 1.5 19.9 33.2 43.5 114 114 A G T < 5S+ 0 0 71 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.609 76.1 130.0 85.7 9.9 22.7 34.7 45.6 115 115 A K < - 0 0 92 -5,-2.7 2,-0.7 -6,-0.1 -1,-0.3 -0.665 59.6-133.0-105.7 156.5 23.4 31.3 47.3 116 116 A N + 0 0 101 -2,-0.2 2,-0.5 55,-0.1 -5,-0.1 -0.534 53.2 133.7-104.9 66.6 26.7 29.4 47.8 117 117 A K + 0 0 23 -2,-0.7 -7,-0.2 -10,-0.2 56,-0.2 -0.964 7.6 136.7-116.6 117.0 25.8 25.9 46.8 118 118 A W + 0 0 59 54,-1.9 55,-0.2 -2,-0.5 2,-0.2 0.390 40.1 99.4-139.3 -0.7 28.3 24.2 44.5 119 119 A K E -p 173 0F 61 53,-2.5 55,-3.0 51,-0.1 56,-1.4 -0.527 50.9-156.2 -91.0 158.9 28.8 20.6 45.8 120 120 A F E -pq 175 154F 0 33,-3.2 35,-1.8 54,-0.2 2,-0.5 -0.986 8.9-149.9-136.5 145.3 27.2 17.5 44.4 121 121 A I E +pq 176 155F 2 54,-1.9 56,-2.5 -2,-0.4 2,-0.2 -0.972 27.1 164.4-113.9 121.3 26.4 14.1 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