==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSYLTRANSFERASE 27-FEB-99 1CXL . COMPND 2 MOLECULE: PROTEIN (CYCLODEXTRIN-GLYCOSYLTRANSFERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR J.C.M.UITDEHAAG,B.W.DIJKSTRA . 686 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 . 61 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 2 1 1 0 0 3 0 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 1 4 0 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 PARALLEL BRIDGES PER LADDER . 6 1 5 6 2 2 1 2 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 2 4 1 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 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 A 0 0 53 0, 0.0 544,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 152.7 41.6 63.1 16.0 2 2 A P > - 0 0 53 0, 0.0 3,-2.1 0, 0.0 6,-0.1 -0.398 360.0-106.6 -80.7 160.1 43.2 66.4 14.8 3 3 A D T 3 S+ 0 0 2 1,-0.3 11,-0.2 516,-0.2 8,-0.1 0.786 118.8 57.1 -52.6 -33.3 45.1 68.7 17.1 4 4 A T T 3 S+ 0 0 37 395,-0.1 -1,-0.3 9,-0.1 396,-0.0 0.418 80.5 123.1 -80.9 -2.9 42.1 71.2 17.1 5 5 A S S X S- 0 0 28 -3,-2.1 3,-1.8 1,-0.1 0, 0.0 -0.260 70.7-126.6 -63.8 148.1 39.6 68.7 18.3 6 6 A V T 3 S+ 0 0 23 1,-0.3 -1,-0.1 120,-0.1 -3,-0.0 0.755 108.7 68.2 -64.0 -20.8 37.6 69.4 21.5 7 7 A S T 3 S+ 0 0 60 1,-0.1 2,-1.4 124,-0.1 -1,-0.3 0.584 71.6 103.2 -75.6 -9.5 38.8 66.0 22.7 8 8 A N X + 0 0 0 -3,-1.8 3,-0.5 1,-0.2 -1,-0.1 -0.583 40.1 168.6 -78.2 93.2 42.4 67.3 23.0 9 9 A K T 3 + 0 0 54 -2,-1.4 244,-3.0 1,-0.2 -1,-0.2 0.558 69.9 60.7 -81.1 -7.6 42.8 67.9 26.7 10 10 A Q T 3 S+ 0 0 26 242,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.573 101.8 48.6 -95.4 -12.4 46.6 68.4 26.5 11 11 A N < + 0 0 0 -3,-0.5 -1,-0.2 -8,-0.1 3,-0.1 -0.976 41.3 163.2-138.0 122.5 46.7 71.4 24.2 12 12 A F > + 0 0 0 -2,-0.4 3,-1.7 306,-0.1 -1,-0.1 0.278 53.4 103.6-116.2 6.3 44.8 74.7 24.5 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 -9,-0.1 0.716 83.2 49.3 -62.6 -23.2 47.0 76.7 22.1 14 14 A T T 3 S+ 0 0 2 -11,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.389 105.3 82.1 -94.9 1.4 44.4 76.4 19.3 15 15 A D < - 0 0 1 -3,-1.7 2,-0.4 383,-0.1 56,-0.1 -0.576 67.9-140.5-104.8 169.9 41.7 77.5 21.7 16 16 A V - 0 0 1 -2,-0.2 56,-2.1 54,-0.2 57,-1.3 -0.989 23.9-146.0-127.8 114.8 40.3 80.7 23.1 17 17 A I E -ab 73 357A 0 339,-3.1 341,-3.1 -2,-0.4 2,-0.6 -0.675 5.5-157.3 -86.4 137.6 39.3 80.6 26.8 18 18 A Y E -ab 74 358A 0 55,-2.4 57,-2.3 -2,-0.3 2,-0.8 -0.961 15.0-143.5-114.1 112.9 36.3 82.5 28.2 19 19 A Q E -ab 75 359A 6 339,-2.9 341,-2.8 -2,-0.6 2,-0.5 -0.714 19.0-163.3 -83.5 108.9 36.7 83.0 31.9 20 20 A I E -a 76 0A 1 55,-2.5 2,-1.2 -2,-0.8 57,-0.7 -0.819 20.9-152.7-100.2 126.7 33.3 82.8 33.6 21 21 A F >> - 0 0 2 -2,-0.5 3,-2.0 1,-0.2 4,-0.5 -0.843 25.9-150.8 -90.4 94.7 32.5 84.0 37.1 22 22 A T H >> S+ 0 0 0 -2,-1.2 3,-1.2 1,-0.3 4,-0.7 0.819 87.8 50.1 -37.4 -52.0 29.7 81.5 37.4 23 23 A D H 34 S+ 0 0 1 74,-0.5 29,-2.2 1,-0.2 -1,-0.3 0.729 114.0 46.6 -63.6 -24.6 27.5 83.5 39.8 24 24 A R H <4 S+ 0 0 0 -3,-2.0 354,-2.2 27,-0.1 -1,-0.2 0.346 102.8 63.3-103.4 5.6 27.7 86.6 37.5 25 25 A F H << S- 0 0 5 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.1 0.918 110.4 -21.7 -94.9 -70.6 27.0 85.0 34.1 26 26 A S < - 0 0 24 -4,-0.7 27,-2.6 27,-0.2 2,-1.2 -0.922 43.0-145.1-152.9 124.7 23.6 83.5 33.9 27 27 A D + 0 0 53 -2,-0.3 25,-0.2 25,-0.3 27,-0.1 -0.738 29.7 164.9 -87.8 93.8 21.1 82.2 36.4 28 28 A G S S+ 0 0 24 -2,-1.2 -1,-0.2 1,-0.3 24,-0.1 0.581 70.5 37.8 -86.6 -11.4 19.6 79.3 34.5 29 29 A N > - 0 0 51 22,-0.4 3,-1.5 -3,-0.1 -1,-0.3 -0.774 58.3-178.8-143.5 94.1 18.0 77.7 37.6 30 30 A P G > S+ 0 0 88 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.702 77.3 76.3 -66.2 -17.9 16.5 80.1 40.1 31 31 A A G 3 S+ 0 0 91 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.721 93.7 49.6 -66.9 -21.2 15.6 77.2 42.2 32 32 A N G < S+ 0 0 30 -3,-1.5 -1,-0.3 19,-0.1 81,-0.1 0.335 82.9 126.1 -99.4 7.9 19.2 76.7 43.4 33 33 A N < - 0 0 27 -3,-1.4 6,-0.1 -4,-0.1 79,-0.0 -0.394 64.7-117.1 -66.1 139.1 19.6 80.3 44.3 34 34 A P - 0 0 29 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.147 38.6-134.9 -65.2 171.8 20.8 81.0 47.8 35 35 A T > - 0 0 114 4,-0.1 3,-1.6 5,-0.0 14,-0.1 -0.831 44.4 -1.9-132.5 172.5 18.4 82.9 49.9 36 36 A G G > S+ 0 0 60 -2,-0.3 3,-2.1 1,-0.3 0, 0.0 -0.251 122.8 2.6 58.1-134.2 17.9 85.7 52.4 37 37 A A G 3 S+ 0 0 59 1,-0.3 -1,-0.3 11,-0.0 56,-0.0 0.588 130.7 59.2 -61.3 -13.3 21.0 87.7 53.5 38 38 A A G < S+ 0 0 14 -3,-1.6 11,-2.5 10,-0.1 2,-0.3 0.468 101.0 68.1 -95.7 -1.0 23.2 85.6 51.2 39 39 A F B < +g 49 0B 51 -3,-2.1 2,-0.2 9,-0.2 11,-0.2 -0.916 41.7 173.3-129.0 151.4 21.3 86.6 48.1 40 40 A D > - 0 0 29 9,-2.5 3,-2.6 -2,-0.3 8,-0.1 -0.692 8.7-171.2-151.0 89.1 20.6 89.6 45.8 41 41 A G T 3 S+ 0 0 33 1,-0.3 9,-0.1 -2,-0.2 -1,-0.1 0.716 89.8 56.9 -54.2 -25.2 18.7 88.7 42.6 42 42 A T T 3 S- 0 0 91 -3,-0.1 -1,-0.3 3,-0.0 335,-0.1 0.604 101.1-136.9 -83.4 -11.4 19.3 92.2 41.3 43 43 A a < + 0 0 13 -3,-2.6 334,-0.4 6,-0.2 3,-0.1 0.874 65.2 128.0 56.9 39.8 23.1 91.7 41.7 44 44 A T + 0 0 111 1,-0.2 2,-1.2 332,-0.1 -1,-0.1 0.848 62.4 61.9 -88.1 -40.6 23.4 95.2 43.2 45 45 A N S > S- 0 0 64 1,-0.1 3,-1.8 4,-0.1 -1,-0.2 -0.762 75.4-164.0 -89.3 95.5 25.3 94.0 46.2 46 46 A L T 3 S+ 0 0 26 -2,-1.2 -1,-0.1 1,-0.3 4,-0.1 0.406 80.7 61.2 -63.4 -1.0 28.4 92.5 44.5 47 47 A R T 3 S+ 0 0 81 46,-0.1 48,-1.8 2,-0.1 50,-0.3 0.445 95.1 71.5-105.6 -2.3 29.4 90.5 47.5 48 48 A L S < S- 0 0 14 -3,-1.8 -9,-0.2 46,-0.2 2,-0.2 -0.610 97.8 -82.9-105.7 169.3 26.3 88.4 47.7 49 49 A Y B -g 39 0B 15 -11,-2.5 -9,-2.5 -2,-0.2 -6,-0.2 -0.523 33.5-171.0 -72.8 140.4 25.2 85.6 45.5 50 50 A a - 0 0 0 -2,-0.2 -1,-0.1 -11,-0.2 -23,-0.1 0.585 46.5-106.6-105.1 -17.0 23.4 86.8 42.3 51 51 A G + 0 0 2 1,-0.3 -22,-0.4 -19,-0.1 -23,-0.2 0.317 62.0 151.2 112.3 -10.1 22.2 83.4 41.1 52 52 A G + 0 0 3 -29,-2.2 -25,-0.3 -25,-0.2 -1,-0.3 -0.308 23.7 161.7 -57.3 137.5 24.4 82.6 38.1 53 53 A D > - 0 0 0 -27,-2.6 4,-1.6 -30,-0.1 3,-0.3 -0.852 53.2 -83.7-149.0-177.4 24.9 78.8 37.7 54 54 A W H > S+ 0 0 0 58,-2.4 4,-2.8 -2,-0.2 5,-0.2 0.864 121.4 57.6 -63.3 -37.2 25.8 75.9 35.5 55 55 A Q H > S+ 0 0 54 57,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.890 105.0 53.7 -60.7 -35.2 22.4 75.7 34.0 56 56 A G H > S+ 0 0 0 -30,-0.5 4,-2.2 -3,-0.3 -1,-0.2 0.918 107.6 48.6 -63.5 -45.0 23.0 79.3 32.9 57 57 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 -31,-0.3 5,-0.2 0.933 109.6 53.7 -61.5 -43.8 26.3 78.4 31.2 58 58 A I H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.918 108.2 50.1 -56.5 -43.1 24.6 75.5 29.5 59 59 A N H X S+ 0 0 63 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.916 110.6 48.3 -62.2 -42.6 22.0 77.9 28.2 60 60 A K H <>S+ 0 0 19 -4,-2.2 6,-1.2 2,-0.2 5,-0.6 0.744 111.2 51.4 -70.2 -23.5 24.6 80.3 26.8 61 61 A I H ><5S+ 0 0 0 -4,-1.9 3,-0.7 -5,-0.2 6,-0.3 0.894 114.1 43.7 -76.2 -41.4 26.4 77.5 25.2 62 62 A N H 3<5S+ 0 0 83 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.781 108.7 56.0 -75.0 -29.6 23.2 76.3 23.6 63 63 A D T 3<5S- 0 0 96 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 0.380 111.8-111.1 -88.8 6.4 21.9 79.6 22.4 64 64 A G T <>5S+ 0 0 24 -3,-0.7 4,-2.7 -4,-0.2 5,-0.2 0.381 80.3 122.9 86.4 -3.0 25.1 80.6 20.5 65 65 A Y T 4>>S+ 0 0 0 -6,-1.2 5,-1.8 2,-0.2 3,-1.1 0.939 123.1 49.0 -72.8 -49.4 29.8 81.7 23.2 67 67 A T G >45S+ 0 0 55 -7,-0.4 3,-1.1 -6,-0.3 -2,-0.2 0.874 106.4 57.1 -60.4 -38.0 30.0 79.7 20.0 68 68 A G G 3<5S+ 0 0 30 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.715 106.0 52.3 -66.0 -20.0 29.1 82.8 17.9 69 69 A M G <45S- 0 0 0 -3,-1.1 326,-0.3 -4,-0.5 -1,-0.3 0.546 116.5-112.4 -91.1 -13.5 32.1 84.5 19.4 70 70 A G T <<5 + 0 0 15 -3,-1.1 2,-0.2 -4,-0.6 -54,-0.2 0.578 61.4 156.0 90.3 8.3 34.5 81.8 18.6 71 71 A V < + 0 0 4 -5,-1.8 -1,-0.3 1,-0.1 -54,-0.2 -0.514 15.9 175.9 -68.5 134.0 35.1 80.8 22.2 72 72 A T + 0 0 24 -56,-2.1 59,-2.5 1,-0.2 2,-0.3 0.311 60.1 33.3-124.5 6.0 36.3 77.2 22.4 73 73 A A E -ac 17 131A 0 -57,-1.3 -55,-2.4 57,-0.3 2,-0.4 -0.974 62.0-151.2-159.1 147.1 36.9 76.7 26.1 74 74 A I E -ac 18 132A 0 57,-2.6 59,-3.2 -2,-0.3 2,-0.6 -0.969 3.8-156.5-125.8 142.6 35.5 78.0 29.3 75 75 A W E -ac 19 133A 4 -57,-2.3 -55,-2.5 -2,-0.4 2,-0.2 -0.975 25.5-167.1-116.4 109.6 37.2 78.5 32.7 76 76 A I E -ac 20 134A 0 57,-2.7 59,-1.7 -2,-0.6 -55,-0.2 -0.649 28.6 -84.3-102.0 160.9 34.6 78.4 35.4 77 77 A S - 0 0 4 -57,-0.7 22,-0.1 -2,-0.2 -1,-0.1 -0.169 69.4 -72.8 -53.4 152.2 34.6 79.3 39.1 78 78 A Q - 0 0 0 20,-0.4 -1,-0.2 56,-0.2 58,-0.1 -0.249 47.7-151.6 -50.2 125.3 35.9 76.5 41.4 79 79 A P + 0 0 0 0, 0.0 30,-1.7 0, 0.0 -1,-0.2 0.591 56.3 107.5 -82.7 -12.1 33.1 74.0 41.4 80 80 A V E S-H 108 0C 0 28,-0.2 28,-0.3 19,-0.2 25,-0.2 -0.231 83.7 -81.7 -69.8 155.8 33.6 72.5 44.9 81 81 A E E -H 104 0C 13 26,-1.7 22,-3.1 23,-1.2 23,-1.8 -0.345 50.0-162.2 -59.1 127.2 31.4 73.1 47.9 82 82 A N E -H 102 0C 2 20,-0.3 20,-0.2 21,-0.2 60,-0.1 -0.616 31.7 -77.7-106.0 168.6 32.1 76.4 49.6 83 83 A I - 0 0 2 18,-1.9 13,-0.3 -2,-0.2 -1,-0.1 -0.291 31.5-145.9 -63.3 151.3 31.2 77.6 53.1 84 84 A Y + 0 0 116 11,-0.1 -1,-0.1 -3,-0.1 68,-0.0 0.499 58.2 119.2 -96.8 -6.5 27.7 78.7 53.5 85 85 A S - 0 0 26 1,-0.1 2,-0.8 10,-0.1 11,-0.2 -0.261 60.9-136.6 -67.3 147.9 28.4 81.4 56.0 86 86 A I - 0 0 61 9,-0.1 2,-0.4 66,-0.1 9,-0.2 -0.909 27.6-151.8-101.8 103.4 27.8 85.1 55.4 87 87 A I E -K 94 0D 6 7,-2.5 7,-2.3 -2,-0.8 2,-0.8 -0.655 4.6-144.3 -84.4 131.6 30.9 86.8 56.7 88 88 A N E -K 93 0D 93 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.827 17.3-175.6 -97.6 110.5 30.7 90.3 58.1 89 89 A Y E > S-K 92 0D 75 3,-3.3 3,-0.8 -2,-0.8 -2,-0.0 -0.893 73.3 -32.1-109.1 104.9 33.7 92.2 57.2 90 90 A S T 3 S- 0 0 130 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.944 128.6 -40.5 51.9 54.7 33.7 95.7 58.8 91 91 A G T 3 S+ 0 0 62 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.560 118.3 113.3 73.6 10.2 29.9 95.9 58.6 92 92 A V E < -K 89 0D 62 -3,-0.8 -3,-3.3 -45,-0.0 2,-0.3 -0.952 63.6-130.8-120.5 127.3 29.8 94.4 55.1 93 93 A N E -K 88 0D 55 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.551 27.1-173.8 -75.5 133.5 28.2 91.0 54.3 94 94 A N E -K 87 0D 15 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.2 -0.974 4.5-174.7-130.2 142.0 30.3 88.6 52.2 95 95 A T - 0 0 3 -48,-1.8 3,-0.4 -2,-0.4 -9,-0.1 -0.732 39.6-105.5-126.2 176.1 29.5 85.3 50.7 96 96 A A S > S+ 0 0 1 -13,-0.3 3,-2.4 -2,-0.2 5,-0.2 0.009 71.3 128.2 -92.2 27.2 31.4 82.6 48.8 97 97 A Y T 3 + 0 0 4 -50,-0.3 -74,-0.5 1,-0.3 -1,-0.2 0.799 69.1 61.7 -52.4 -29.4 29.8 83.5 45.5 98 98 A H T 3 S- 0 0 15 -3,-0.4 -20,-0.4 -51,-0.1 -1,-0.3 0.677 103.9-132.9 -71.8 -19.9 33.3 83.6 44.0 99 99 A G S < S+ 0 0 0 -3,-2.4 -19,-0.2 -22,-0.1 -2,-0.1 0.436 74.0 113.2 81.3 4.4 33.8 79.9 44.8 100 100 A Y + 0 0 20 1,-0.2 2,-0.6 36,-0.1 40,-0.1 0.379 54.9 78.6 -89.7 4.2 37.3 80.4 46.4 101 101 A W S S- 0 0 26 -5,-0.2 -18,-1.9 -21,-0.1 41,-0.2 -0.688 71.2-169.5-112.4 74.7 36.3 79.4 50.0 102 102 A A E +H 82 0C 0 39,-0.7 -20,-0.3 -2,-0.6 3,-0.1 -0.309 26.5 167.1 -68.7 147.6 36.2 75.6 49.8 103 103 A R E S+ 0 0 36 -22,-3.1 55,-3.2 1,-0.2 2,-0.3 0.535 78.7 20.6-125.9 -28.1 34.8 73.4 52.5 104 104 A D E > -Hi 81 158C 0 -23,-1.8 3,-1.3 53,-0.2 -23,-1.2 -0.845 55.2-168.2-150.1 106.1 34.6 70.1 50.6 105 105 A F E 3 S+ 0 0 0 53,-0.5 54,-0.1 -2,-0.3 -1,-0.1 0.509 88.8 60.0 -71.6 -4.5 36.6 69.4 47.5 106 106 A K E 3 S+ 0 0 40 52,-0.3 2,-0.3 -25,-0.1 -1,-0.2 0.409 100.5 58.1-104.4 1.0 34.5 66.3 46.8 107 107 A K E < S- 0 0 63 -3,-1.3 -26,-1.7 -26,-0.1 2,-0.1 -0.830 81.2-110.4-125.4 165.4 31.1 67.9 46.5 108 108 A T E -H 80 0C 17 -28,-0.3 -28,-0.2 -2,-0.3 -27,-0.1 -0.474 31.9-104.7 -91.0 166.5 29.7 70.6 44.3 109 109 A N >> - 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0 0 1 -56,-2.6 -57,-1.7 -2,-0.4 2,-0.6 -0.397 33.9-134.9 -58.5 112.2 43.1 78.6 56.6 199 199 A D E -L 140 0E 2 -23,-0.4 -23,-2.9 -2,-0.4 -59,-0.2 -0.618 14.1-131.9 -77.4 115.0 46.3 77.4 55.0 200 200 A L B -M 175 0F 1 -61,-1.6 2,-1.0 -2,-0.6 -25,-0.3 -0.372 13.8-129.0 -66.3 140.2 46.3 73.7 54.1 201 201 A N > - 0 0 9 -27,-3.2 3,-1.8 1,-0.1 7,-0.3 -0.798 21.5-174.0 -94.5 98.4 49.3 71.8 55.2 202 202 A H T 3 S+ 0 0 3 -2,-1.0 -1,-0.1 1,-0.3 386,-0.1 0.540 81.7 66.6 -70.0 -6.5 50.5 69.9 52.1 203 203 A N T 3 S+ 0 0 26 474,-0.1 2,-0.5 5,-0.1 -1,-0.3 0.501 79.5 95.6 -90.0 -6.3 53.0 68.1 54.2 204 204 A N S <> S- 0 0 24 -3,-1.8 4,-2.9 -30,-0.2 5,-0.2 -0.771 74.9-141.8 -86.6 123.9 50.2 66.3 56.0 205 205 A S H > S+ 0 0 49 -2,-0.5 4,-3.0 1,-0.2 5,-0.3 0.855 100.1 52.6 -52.5 -40.8 49.6 62.9 54.5 206 206 A T H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.942 112.9 43.0 -61.2 -49.7 45.9 63.2 54.9 207 207 A V H > S+ 0 0 0 -6,-0.3 4,-2.6 2,-0.2 5,-0.2 0.933 115.8 50.0 -61.4 -47.4 45.7 66.6 53.2 208 208 A D H X S+ 0 0 3 -4,-2.9 4,-1.9 -7,-0.3 -2,-0.2 0.960 115.4 40.5 -55.2 -58.2 48.1 65.4 50.5 209 209 A V H X S+ 0 0 54 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.901 114.5 53.9 -60.0 -42.9 46.2 62.2 49.7 210 210 A Y H X S+ 0 0 7 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.915 108.3 47.9 -58.0 -49.4 42.8 63.9 50.0 211 211 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.898 112.3 49.0 -62.5 -41.0 43.7 66.6 47.5 212 212 A K H X S+ 0 0 16 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.893 112.8 47.7 -66.3 -38.5 45.0 64.2 45.0 213 213 A D H X S+ 0 0 78 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.891 109.4 55.1 -68.3 -38.2 42.0 62.0 45.3 214 214 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 3,-0.4 0.936 106.8 48.0 -60.8 -48.8 39.7 65.1 45.0 215 215 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.896 105.8 59.9 -60.6 -36.8 41.2 66.1 41.7 216 216 A K H X S+ 0 0 64 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.882 100.5 55.9 -58.7 -36.2 40.9 62.6 40.4 217 217 A M H X S+ 0 0 45 -4,-1.5 4,-1.0 -3,-0.4 -1,-0.2 0.941 108.9 45.8 -60.1 -48.4 37.2 62.9 41.0 218 218 A W H <>S+ 0 0 0 -4,-1.5 5,-1.5 1,-0.2 3,-0.4 0.877 110.2 53.7 -63.2 -38.0 37.0 66.0 38.8 219 219 A L H ><5S+ 0 0 8 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.907 107.2 52.5 -62.1 -39.3 39.1 64.3 36.1 220 220 A D H 3<5S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.734 100.4 61.9 -68.0 -23.4 36.7 61.4 36.2 221 221 A L T 3<5S- 0 0 27 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.529 123.3-104.9 -80.3 -6.8 33.9 63.9 35.6 222 222 A G T < 5 + 0 0 18 -3,-1.4 -90,-0.2 -4,-0.4 -3,-0.2 0.651 56.2 167.9 97.4 16.6 35.5 64.8 32.3 223 223 A I < - 0 0 1 -5,-1.5 -90,-0.2 1,-0.1 -1,-0.2 -0.242 26.2-152.1 -60.4 153.9 37.2 68.2 32.9 224 224 A D - 0 0 1 -92,-3.2 29,-0.9 1,-0.3 2,-0.3 0.534 67.9 -5.0-103.7 -12.4 39.6 69.3 30.1 225 225 A G E -de 133 253A 0 -93,-1.1 -91,-1.9 27,-0.2 2,-0.4 -0.987 59.2-125.3-171.6 168.8 41.9 71.5 32.1 226 226 A I E -de 134 254A 0 27,-2.4 29,-2.7 -2,-0.3 2,-0.7 -0.993 2.3-156.9-133.9 134.2 42.7 73.1 35.5 227 227 A R E -de 135 255A 0 -93,-2.5 -91,-2.3 -2,-0.4 2,-0.6 -0.931 24.3-149.2-105.9 109.7 43.3 76.6 36.6 228 228 A M E > -de 136 256A 0 27,-3.0 29,-2.8 -2,-0.7 3,-0.5 -0.731 8.3-139.0 -87.1 120.3 45.3 76.4 39.8 229 229 A D T 3 S- 0 0 13 -93,-2.8 -90,-0.2 -2,-0.6 4,-0.1 -0.511 73.2 -1.8 -78.8 140.4 44.8 79.2 42.3 230 230 A A T > + 0 0 3 -2,-0.2 3,-1.9 1,-0.1 -1,-0.2 0.853 66.1 167.1 52.6 50.5 47.7 80.8 44.2 231 231 A V G X S+ 0 0 0 26,-1.4 3,-0.9 -3,-0.5 27,-0.2 0.731 74.2 61.5 -67.2 -20.0 50.6 78.6 43.0 232 232 A K G 3 S+ 0 0 50 25,-0.8 -1,-0.3 1,-0.2 4,-0.1 0.609 100.9 58.6 -78.0 -8.3 53.1 81.0 44.4 233 233 A H G < S+ 0 0 26 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.299 96.3 66.4-104.7 7.0 51.6 80.1 47.8 234 234 A M S < S- 0 0 0 -3,-0.9 -43,-0.1 -4,-0.1 -44,-0.1 -0.928 98.6 -84.5-126.6 150.3 52.1 76.3 47.9 235 235 A P > - 0 0 4 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.312 33.8-141.1 -56.5 128.5 55.3 74.3 48.0 236 236 A F H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.892 101.2 52.0 -57.9 -42.8 56.7 74.0 44.5 237 237 A G H > S+ 0 0 9 402,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.878 108.6 50.9 -62.8 -39.0 57.8 70.4 45.2 238 238 A W H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 109.3 50.6 -64.1 -43.7 54.3 69.5 46.4 239 239 A Q H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.879 106.4 54.6 -61.9 -38.1 52.8 71.0 43.3 240 240 A K H X S+ 0 0 30 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.943 108.6 48.9 -60.2 -44.9 55.1 69.0 41.2 241 241 A S H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 345,-0.2 0.843 110.6 51.9 -62.1 -32.7 53.9 65.9 42.9 242 242 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.920 109.0 48.4 -68.7 -45.4 50.3 67.0 42.4 243 243 A M H X S+ 0 0 1 -4,-2.8 4,-3.1 33,-0.3 5,-0.2 0.850 110.0 53.7 -63.4 -34.1 50.9 67.5 38.7 244 244 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.916 106.2 52.2 -66.9 -41.0 52.5 64.1 38.6 245 245 A A H < S+ 0 0 19 -4,-1.9 -2,-0.2 2,-0.2 5,-0.2 0.937 114.8 42.4 -58.9 -45.6 49.4 62.6 40.2 246 246 A V H >X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-1.4 0.957 117.3 45.4 -63.7 -54.0 47.3 64.2 37.5 247 247 A N H 3< S+ 0 0 4 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.783 110.5 52.8 -62.6 -33.1 49.6 63.4 34.6 248 248 A N T 3< S+ 0 0 26 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.422 122.9 30.9 -85.4 2.0 50.1 59.9 35.6 249 249 A Y T <4 S- 0 0 97 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.2 0.635 140.6 -19.6-117.2 -76.0 46.4 59.4 35.8 250 250 A K S < S- 0 0 90 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.1 -0.791 71.8-145.5-142.1 88.9 44.5 61.6 33.3 251 251 A P + 0 0 20 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.345 23.1 174.2 -63.3 134.4 46.6 64.4 32.1 252 252 A V - 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