==== 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 28-JUL-95 1CXF . COMPND 2 MOLECULE: CYCLODEXTRIN GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR R.M.A.KNEGTEL,B.V.STROKOPYTOV,B.W.DIJKSTRA . 686 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 17.6 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 . 1 0.1 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 . 57 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 1 0 0 0 3 0 2 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 1 4 0 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 PARALLEL BRIDGES PER LADDER . 6 3 4 5 2 2 2 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 . 5 2 2 2 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 60 0, 0.0 544,-0.1 0, 0.0 542,-0.0 0.000 360.0 360.0 360.0 138.1 41.3 63.7 16.2 2 2 A P > - 0 0 52 0, 0.0 3,-1.5 0, 0.0 6,-0.2 -0.224 360.0 -98.7 -77.3 169.7 43.3 66.8 15.2 3 3 A D T 3 S+ 0 0 1 1,-0.2 11,-0.2 516,-0.2 8,-0.1 0.776 121.8 58.5 -57.1 -28.7 45.0 69.3 17.5 4 4 A T T 3 S+ 0 0 39 395,-0.1 -1,-0.2 3,-0.0 396,-0.0 0.623 79.7 122.4 -80.0 -13.6 42.0 71.6 17.3 5 5 A S X - 0 0 30 -3,-1.5 3,-1.3 1,-0.1 0, 0.0 -0.067 69.5-129.4 -48.4 142.6 39.6 69.1 18.6 6 6 A V T 3 S+ 0 0 27 1,-0.3 -1,-0.1 120,-0.1 -3,-0.0 0.733 108.3 66.0 -66.7 -19.9 37.5 69.8 21.8 7 7 A S T 3 S+ 0 0 60 1,-0.1 2,-1.8 124,-0.1 -1,-0.3 0.726 71.5 102.2 -74.0 -22.1 38.7 66.5 23.1 8 8 A N X + 0 0 0 -3,-1.3 3,-0.7 -6,-0.2 -1,-0.1 -0.432 44.5 172.6 -64.9 86.1 42.3 67.7 23.2 9 9 A K T 3 S+ 0 0 51 -2,-1.8 244,-2.8 1,-0.2 -1,-0.2 0.633 71.9 56.8 -73.5 -11.1 42.5 68.3 27.0 10 10 A Q T 3 S+ 0 0 23 242,-0.2 2,-0.5 495,-0.1 -1,-0.2 0.594 98.8 60.3 -93.6 -17.0 46.3 69.0 26.8 11 11 A N < + 0 0 0 -3,-0.7 -1,-0.1 -8,-0.1 3,-0.1 -0.957 40.7 156.5-121.1 121.2 46.3 71.9 24.3 12 12 A F > + 0 0 0 -2,-0.5 3,-0.5 1,-0.1 5,-0.1 0.184 54.5 94.7-121.5 13.4 44.6 75.2 24.8 13 13 A S T 3 S+ 0 0 0 1,-0.2 -1,-0.1 342,-0.1 306,-0.0 0.656 84.1 51.8 -80.3 -17.8 46.7 77.4 22.4 14 14 A T T 3 S+ 0 0 2 -11,-0.2 -1,-0.2 341,-0.1 2,-0.2 0.467 106.2 78.7 -94.7 -0.3 44.3 76.9 19.5 15 15 A D S < S- 0 0 1 -3,-0.5 2,-0.5 390,-0.1 56,-0.1 -0.655 70.2-139.9-106.3 162.8 41.5 78.1 21.8 16 16 A V - 0 0 0 54,-0.3 56,-2.0 -2,-0.2 57,-0.9 -0.973 25.4-148.2-121.0 109.2 40.1 81.3 23.2 17 17 A I E -ab 73 357A 0 339,-2.5 341,-2.1 -2,-0.5 2,-0.4 -0.413 4.0-155.0 -75.0 154.3 39.1 80.9 26.9 18 18 A Y E -ab 74 358A 0 55,-0.7 57,-2.0 339,-0.2 2,-0.5 -0.956 13.4-142.4-134.6 107.5 36.1 83.0 28.3 19 19 A Q E -ab 75 359A 6 339,-2.7 341,-2.3 -2,-0.4 2,-0.6 -0.658 17.5-162.0 -80.4 122.6 36.3 83.5 32.0 20 20 A I E -a 76 0A 2 55,-3.1 2,-1.2 -2,-0.5 57,-0.8 -0.892 21.1-152.3-113.0 121.5 33.0 83.4 33.7 21 21 A F > - 0 0 6 -2,-0.6 3,-0.6 1,-0.2 4,-0.4 -0.800 26.3-151.3 -86.4 103.2 32.1 84.7 37.2 22 22 A T G >> S+ 0 0 0 -2,-1.2 3,-1.4 1,-0.2 4,-0.7 0.888 87.0 48.6 -44.0 -56.0 29.3 82.1 37.6 23 23 A D G 34 S+ 0 0 2 74,-0.6 29,-1.9 1,-0.2 -1,-0.2 0.834 114.6 46.3 -57.5 -35.3 27.1 84.2 39.9 24 24 A R G <4 S+ 0 0 0 -3,-0.6 354,-2.0 27,-0.1 -1,-0.2 0.279 102.2 66.2 -94.5 11.2 27.3 87.2 37.7 25 25 A F T <4 S- 0 0 3 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.1 0.918 110.6 -31.3 -95.3 -72.7 26.6 85.6 34.3 26 26 A S < - 0 0 25 -4,-0.7 27,-1.9 27,-0.2 2,-1.4 -0.812 40.6-142.7-161.7 117.7 23.1 84.2 34.0 27 27 A D + 0 0 49 25,-0.3 25,-0.2 -2,-0.3 27,-0.1 -0.629 26.6 170.0 -79.3 88.8 20.7 82.7 36.6 28 28 A G S S+ 0 0 24 -2,-1.4 -1,-0.2 1,-0.2 24,-0.1 0.367 72.6 40.5 -82.7 4.6 19.1 79.9 34.4 29 29 A N > - 0 0 50 22,-0.4 3,-1.6 1,-0.1 4,-0.3 -0.579 56.2-179.0-156.7 89.8 17.5 78.4 37.5 30 30 A P G > S+ 0 0 88 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.702 79.8 76.3 -59.8 -22.9 15.9 80.7 40.2 31 31 A A G 3 S+ 0 0 90 1,-0.3 -2,-0.0 80,-0.0 80,-0.0 0.844 95.2 49.1 -58.9 -33.1 15.0 77.6 42.2 32 32 A N G < S+ 0 0 29 -3,-1.6 -1,-0.3 19,-0.1 81,-0.1 0.553 84.4 125.1 -86.2 -3.8 18.7 77.3 43.2 33 33 A N < - 0 0 30 -3,-1.3 6,-0.1 -4,-0.3 79,-0.0 -0.214 63.9-119.4 -58.1 140.6 19.0 80.9 44.3 34 34 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.137 38.6-126.5 -66.6 171.8 20.2 81.6 47.8 35 35 A T > - 0 0 118 4,-0.1 3,-1.3 5,-0.0 2,-0.3 -0.950 45.0 -19.3-135.8 155.6 17.7 83.6 49.9 36 36 A G G > S+ 0 0 62 -2,-0.3 3,-1.0 1,-0.3 0, 0.0 -0.457 124.4 13.1 67.6-123.3 17.2 86.6 52.1 37 37 A A G 3 S+ 0 0 57 -2,-0.3 -1,-0.3 1,-0.3 56,-0.1 0.752 132.6 49.5 -59.3 -28.9 20.3 88.2 53.4 38 38 A A G < S+ 0 0 16 -3,-1.3 11,-3.4 10,-0.1 2,-0.3 0.629 104.3 72.7 -87.4 -15.0 22.5 86.2 51.1 39 39 A F B < +g 49 0B 41 -3,-1.0 11,-0.2 9,-0.2 2,-0.1 -0.796 39.8 165.2-112.5 150.7 20.6 87.0 48.0 40 40 A D > - 0 0 29 9,-2.5 3,-2.2 -2,-0.3 5,-0.2 -0.628 7.0-178.0-156.4 86.9 20.1 90.0 45.7 41 41 A G T 3 S+ 0 0 38 1,-0.3 9,-0.1 -2,-0.1 -14,-0.1 0.746 87.3 63.4 -59.6 -24.4 18.5 89.2 42.4 42 42 A T T 3 S- 0 0 93 -3,-0.1 -1,-0.3 1,-0.0 8,-0.1 0.714 97.4-145.0 -73.3 -18.4 18.9 92.8 41.5 43 43 A a < + 0 0 14 -3,-2.2 334,-0.3 6,-0.2 3,-0.1 0.904 59.0 130.7 53.0 44.8 22.6 92.3 41.8 44 44 A T + 0 0 115 1,-0.2 2,-0.8 332,-0.1 -1,-0.1 0.660 63.4 60.8 -95.7 -23.4 23.0 95.8 43.2 45 45 A N S > S- 0 0 57 -5,-0.2 3,-2.1 4,-0.1 -1,-0.2 -0.848 72.7-162.5-108.7 97.9 25.1 94.4 46.1 46 46 A L T 3 S+ 0 0 25 -2,-0.8 -1,-0.1 1,-0.3 4,-0.1 0.294 85.0 58.1 -63.8 11.5 28.1 92.9 44.5 47 47 A R T 3 S+ 0 0 77 46,-0.1 48,-2.3 2,-0.1 50,-0.3 0.470 95.2 72.5-117.0 -7.7 29.0 90.9 47.6 48 48 A L S < S- 0 0 19 -3,-2.1 2,-0.2 46,-0.2 -9,-0.2 -0.525 98.5 -84.6 -98.3 170.5 25.7 89.0 47.9 49 49 A Y B -g 39 0B 16 -11,-3.4 -9,-2.5 -2,-0.2 -6,-0.2 -0.550 33.2-172.5 -78.6 141.7 24.6 86.1 45.6 50 50 A a - 0 0 2 -2,-0.2 -1,-0.1 -11,-0.2 -23,-0.1 0.544 46.0-110.9-108.5 -15.1 22.9 87.3 42.4 51 51 A G + 0 0 2 1,-0.2 -22,-0.4 -19,-0.1 -27,-0.1 0.370 56.7 156.8 103.9 -4.3 21.9 83.8 41.3 52 52 A G + 0 0 1 -29,-1.9 -25,-0.3 -25,-0.2 2,-0.3 -0.194 20.5 166.3 -55.0 144.6 24.0 83.0 38.2 53 53 A D > - 0 0 0 -27,-1.9 4,-2.0 -31,-0.1 3,-0.4 -0.915 52.5 -84.9-154.2 178.9 24.4 79.2 37.6 54 54 A W H > S+ 0 0 0 58,-1.8 4,-2.5 -2,-0.3 5,-0.2 0.839 123.0 56.2 -59.7 -32.9 25.4 76.3 35.4 55 55 A Q H > S+ 0 0 53 57,-0.5 4,-2.9 2,-0.2 -1,-0.3 0.873 103.8 53.9 -67.3 -36.6 22.0 76.4 33.7 56 56 A G H > S+ 0 0 0 -30,-0.4 4,-2.6 -3,-0.4 -2,-0.2 0.961 111.3 45.8 -59.5 -50.5 22.6 80.1 32.8 57 57 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 -31,-0.3 -2,-0.2 0.866 111.9 50.6 -60.1 -42.6 25.9 79.0 31.1 58 58 A I H X S+ 0 0 12 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.940 110.7 50.5 -62.2 -45.6 24.2 76.1 29.4 59 59 A N H X S+ 0 0 67 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.922 113.5 44.1 -59.2 -43.6 21.5 78.4 28.1 60 60 A K H <>S+ 0 0 21 -4,-2.6 6,-0.9 2,-0.2 5,-0.6 0.824 112.1 53.1 -71.3 -30.2 24.1 80.9 26.8 61 61 A I H ><5S+ 0 0 0 -4,-2.5 3,-0.7 -5,-0.2 6,-0.3 0.916 115.3 42.1 -69.4 -39.2 26.1 78.0 25.3 62 62 A N H 3<5S+ 0 0 83 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.723 108.3 57.1 -78.9 -27.0 23.0 76.8 23.5 63 63 A D T 3<5S- 0 0 90 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 0.188 112.2-110.4 -91.3 14.7 21.6 80.2 22.4 64 64 A G T <>5S+ 0 0 21 -3,-0.7 4,-2.6 -4,-0.1 5,-0.3 0.271 81.3 121.8 80.0 -7.4 24.8 81.1 20.5 65 65 A Y H >S+ 0 0 0 -6,-0.9 5,-1.4 2,-0.2 3,-0.4 0.932 122.5 48.0 -73.9 -49.6 29.5 82.3 23.3 67 67 A T H >45S+ 0 0 56 -7,-0.3 3,-0.9 -6,-0.3 -2,-0.2 0.811 106.3 59.3 -63.6 -27.6 29.8 80.4 20.1 68 68 A G H 3<5S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.886 104.6 50.9 -66.6 -36.5 28.9 83.5 18.1 69 69 A M T 3<5S- 0 0 0 -4,-0.9 -1,-0.3 -3,-0.4 326,-0.3 0.508 116.2-117.3 -76.4 -9.6 31.9 85.2 19.6 70 70 A G T < 5 + 0 0 13 -3,-0.9 -54,-0.3 -4,-0.4 -3,-0.2 0.494 58.9 157.3 83.8 1.2 34.2 82.3 18.6 71 71 A V < - 0 0 3 -5,-1.4 -1,-0.3 1,-0.1 -54,-0.2 -0.368 18.5-177.9 -58.9 138.4 34.9 81.5 22.3 72 72 A T + 0 0 24 -56,-2.0 59,-2.2 1,-0.2 2,-0.3 0.237 59.9 28.4-130.2 14.7 36.0 77.8 22.4 73 73 A A E -ac 17 131A 0 -57,-0.9 -55,-0.7 57,-0.3 2,-0.3 -0.937 64.0-150.9-166.0 154.5 36.6 77.2 26.2 74 74 A I E -ac 18 132A 0 57,-1.7 59,-2.9 -2,-0.3 2,-0.6 -0.983 5.3-150.0-136.0 148.3 35.2 78.6 29.4 75 75 A W E -ac 19 133A 5 -57,-2.0 -55,-3.1 -2,-0.3 2,-0.3 -0.969 24.9-168.0-123.9 112.4 36.7 79.0 32.8 76 76 A I E -ac 20 134A 0 57,-2.8 59,-2.4 -2,-0.6 151,-0.2 -0.682 27.9 -85.1-104.1 157.0 34.2 78.8 35.6 77 77 A S - 0 0 6 -57,-0.8 -1,-0.2 -2,-0.3 22,-0.1 -0.043 68.1 -72.3 -49.6 153.7 34.1 79.6 39.3 78 78 A Q - 0 0 1 20,-0.4 -1,-0.2 56,-0.2 58,-0.1 -0.317 44.6-153.0 -54.0 120.0 35.3 76.8 41.6 79 79 A P + 0 0 0 0, 0.0 30,-1.2 0, 0.0 -1,-0.2 0.677 58.1 107.9 -71.8 -20.3 32.5 74.2 41.5 80 80 A V E S-H 108 0C 0 28,-0.2 28,-0.3 19,-0.2 2,-0.2 -0.123 83.7 -84.4 -61.9 156.1 33.1 72.8 45.0 81 81 A E E -H 104 0C 12 23,-1.7 22,-2.1 26,-1.3 23,-1.8 -0.448 46.6-163.7 -67.5 127.3 30.8 73.5 48.0 82 82 A N E -H 102 0C 0 20,-0.3 20,-0.2 -2,-0.2 21,-0.1 -0.553 30.8 -82.9-102.7 168.5 31.5 76.7 49.8 83 83 A I - 0 0 3 18,-1.3 13,-0.3 -2,-0.2 -1,-0.2 -0.091 25.3-139.8 -65.3 172.9 30.3 77.8 53.2 84 84 A Y + 0 0 111 11,-0.1 -1,-0.1 2,-0.1 68,-0.0 0.409 58.5 126.1-114.3 -3.8 26.8 79.2 53.7 85 85 A S - 0 0 32 1,-0.1 2,-0.7 10,-0.1 11,-0.2 -0.258 55.0-143.1 -60.6 140.0 27.8 81.8 56.3 86 86 A I - 0 0 62 9,-0.1 2,-0.5 66,-0.1 9,-0.2 -0.933 26.4-157.2-102.3 108.6 26.9 85.5 55.6 87 87 A I E -I 94 0D 7 7,-2.8 7,-2.7 -2,-0.7 2,-1.0 -0.855 10.4-145.5 -99.9 126.4 30.0 87.2 56.9 88 88 A N E -I 93 0D 85 -2,-0.5 2,-2.0 5,-0.2 5,-0.3 -0.732 8.5-165.8 -88.6 101.1 29.8 90.9 58.0 89 89 A Y S S- 0 0 69 3,-2.6 -1,-0.1 -2,-1.0 4,-0.1 -0.539 74.4 -50.1 -87.1 74.4 33.1 92.5 57.2 90 90 A S S S- 0 0 110 -2,-2.0 -1,-0.2 1,-0.2 3,-0.1 0.988 125.2 -19.7 59.2 82.0 32.5 95.5 59.3 91 91 A G S S+ 0 0 68 -3,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.571 121.2 94.2 69.6 10.2 29.1 96.7 58.3 92 92 A V - 0 0 64 -45,-0.0 -3,-2.6 2,-0.0 2,-0.4 -0.994 68.9-134.3-137.3 128.8 29.0 94.9 55.0 93 93 A N E -I 88 0D 59 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.2 -0.714 22.4-165.5 -87.0 129.0 27.6 91.5 54.4 94 94 A N E -I 87 0D 18 -7,-2.7 -7,-2.8 -2,-0.4 2,-0.3 -0.905 7.5-170.9-118.9 139.5 29.6 89.0 52.4 95 95 A T - 0 0 4 -48,-2.3 3,-0.3 -2,-0.4 -9,-0.1 -0.746 36.7-113.5-119.2 167.7 28.7 85.7 50.7 96 96 A A > + 0 0 2 -13,-0.3 3,-2.5 -2,-0.3 5,-0.3 0.027 68.2 133.8 -91.8 28.0 30.9 83.0 49.1 97 97 A Y T 3 + 0 0 4 -50,-0.3 -74,-0.6 1,-0.3 -1,-0.2 0.572 64.5 63.3 -51.8 -16.3 29.4 83.8 45.7 98 98 A H T 3 S- 0 0 17 -3,-0.3 -20,-0.4 -51,-0.1 -1,-0.3 0.252 104.4-129.6 -95.8 8.5 32.9 83.8 44.3 99 99 A G S < S+ 0 0 0 -3,-2.5 -19,-0.2 -22,-0.1 -2,-0.1 0.623 76.5 112.5 52.3 23.8 33.3 80.1 45.1 100 100 A Y + 0 0 26 1,-0.1 2,-1.1 -4,-0.1 40,-0.2 0.568 54.2 79.4 -99.9 -10.9 36.7 80.6 46.9 101 101 A W S S- 0 0 19 -5,-0.3 -18,-1.3 -18,-0.1 41,-0.3 -0.780 72.8-168.7 -98.6 91.0 35.6 79.7 50.4 102 102 A A E +H 82 0C 0 39,-1.6 -20,-0.3 -2,-1.1 -19,-0.1 -0.343 29.7 162.7 -79.5 159.8 35.6 75.9 50.2 103 103 A R E S+ 0 0 34 -22,-2.1 55,-2.8 -21,-0.1 2,-0.3 0.359 79.0 18.6-144.3 -29.2 34.1 73.5 52.8 104 104 A D E > -H 81 0C 0 -23,-1.8 -23,-1.7 53,-0.2 3,-1.0 -0.829 52.4-173.0-154.5 107.8 33.8 70.3 50.7 105 105 A F E 3 S+ 0 0 0 53,-0.5 54,-0.1 -2,-0.3 -25,-0.1 0.431 85.7 66.7 -81.6 0.7 35.8 69.7 47.5 106 106 A K E 3 S+ 0 0 44 52,-0.4 2,-0.3 -25,-0.1 -1,-0.2 0.402 101.6 48.3-101.6 4.7 33.8 66.5 46.9 107 107 A K E < S- 0 0 64 -3,-1.0 -26,-1.3 -26,-0.1 -3,-0.1 -0.872 81.1-110.4-135.6 166.6 30.4 68.2 46.4 108 108 A T E -H 80 0C 14 -2,-0.3 -28,-0.2 -28,-0.3 -27,-0.1 -0.361 34.7 -96.8 -94.3 176.8 29.1 71.1 44.3 109 109 A N >> - 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0 0 2 -5,-1.6 -90,-0.2 1,-0.1 -1,-0.1 -0.155 27.3-153.5 -59.3 153.2 36.8 68.7 33.0 224 224 A D S S- 0 0 1 -92,-3.1 29,-0.7 1,-0.2 2,-0.3 0.491 70.7 -7.0-104.4 -6.5 39.3 69.8 30.3 225 225 A G E -de 133 253A 0 -93,-0.8 -91,-1.5 27,-0.2 2,-0.4 -0.981 60.1-126.1-174.4 171.5 41.6 72.0 32.4 226 226 A I E -de 134 254A 0 27,-2.1 29,-1.8 -2,-0.3 2,-0.9 -0.997 4.9-151.0-138.8 134.7 42.2 73.5 35.9 227 227 A R E -de 135 255A 0 -93,-2.2 -91,-1.9 -2,-0.4 2,-0.3 -0.854 25.9-146.8-103.5 96.5 42.8 77.0 37.0 228 228 A M E -de 136 256A 0 27,-1.9 29,-1.3 -2,-0.9 3,-0.4 -0.436 12.6-134.8 -66.6 126.0 44.9 76.6 40.1 229 229 A N S S- 0 0 14 -93,-3.3 -90,-0.1 -2,-0.3 4,-0.1 -0.637 70.0 -7.4 -87.1 142.0 44.3 79.3 42.7 230 230 A A > + 0 0 4 -2,-0.3 3,-0.8 1,-0.1 -1,-0.2 0.917 66.7 171.9 45.1 64.6 47.0 81.2 44.6 231 231 A V G > S+ 0 0 0 26,-1.2 3,-1.2 -3,-0.4 27,-0.2 0.797 73.7 59.9 -74.3 -27.9 50.0 79.1 43.5 232 232 A K G 3 S+ 0 0 51 25,-0.8 -1,-0.2 1,-0.2 26,-0.1 0.609 103.4 57.3 -72.2 -11.3 52.5 81.4 45.1 233 233 A H G < S+ 0 0 27 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.254 96.6 67.6-107.3 12.7 50.8 80.6 48.4 234 234 A M S < S- 0 0 0 -3,-1.2 -43,-0.1 -43,-0.0 -95,-0.1 -0.948 98.2 -90.2-128.8 146.4 51.1 76.9 48.4 235 235 A P > - 0 0 5 0, 0.0 4,-1.3 0, 0.0 -2,-0.1 -0.261 33.1-139.6 -55.4 142.2 54.4 74.9 48.7 236 236 A F H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.908 97.4 53.7 -75.1 -42.5 55.9 74.3 45.3 237 237 A G H > S+ 0 0 10 402,-0.7 4,-2.6 1,-0.2 403,-0.2 0.905 109.3 50.7 -58.5 -42.4 57.1 70.7 45.8 238 238 A W H > S+ 0 0 0 1,-0.2 4,-1.9 401,-0.2 -1,-0.2 0.935 108.7 52.6 -61.6 -43.7 53.6 69.8 46.9 239 239 A Q H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.897 106.8 50.6 -61.6 -38.3 52.2 71.4 43.8 240 240 A K H X S+ 0 0 28 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.958 110.6 50.7 -62.1 -45.6 54.6 69.4 41.6 241 241 A S H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.806 108.9 52.0 -60.2 -29.3 53.4 66.3 43.4 242 242 A F H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.935 109.7 48.2 -71.7 -44.8 49.7 67.4 42.8 243 243 A M H X S+ 0 0 1 -4,-2.5 4,-2.9 33,-0.3 -2,-0.2 0.752 107.2 58.2 -66.4 -24.6 50.4 67.8 39.1 244 244 A A H X S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.2 -1,-0.2 0.932 106.2 46.5 -70.9 -46.1 52.1 64.4 39.1 245 245 A A H X S+ 0 0 21 -4,-1.6 4,-0.5 2,-0.2 5,-0.4 0.944 116.5 46.7 -59.7 -48.2 48.9 62.7 40.4 246 246 A V H >X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 3,-1.2 0.965 117.7 40.0 -59.2 -55.8 46.9 64.6 37.8 247 247 A N H 3< S+ 0 0 4 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.841 114.6 52.2 -64.9 -35.0 49.2 63.9 34.9 248 248 A N H 3< S+ 0 0 25 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.463 124.6 27.2 -82.6 -0.0 49.8 60.3 35.9 249 249 A Y H << S- 0 0 94 -3,-1.2 -2,-0.2 -4,-0.5 -3,-0.2 0.624 142.9 -13.3-118.1 -72.2 46.1 59.6 36.1 250 250 A K S < S- 0 0 87 -4,-1.6 2,-0.3 -5,-0.4 -2,-0.2 -0.868 72.5-149.1-139.2 97.0 44.2 61.9 33.8 251 251 A P + 0 0 25 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.509 21.9 170.8 -74.1 134.6 46.3 64.9 32.5 252 252 A V - 0 0 10 -2,-0.3 -242,-0.2 -242,-0.1 -27,-0.2 -0.999 44.9 -85.0-144.1 142.8 44.6 68.2 31.7 253 253 A F E -e 225 0A 10 -244,-2.8 -27,-2.1 -29,-0.7 2,-0.4 -0.137 54.0-177.7 -45.2 119.8 45.8 71.8 30.8 254 254 A T E +e 226 0A 6 -29,-0.2 25,-2.5 23,-0.2 2,-0.4 -0.996 13.5 176.6-132.8 130.7 46.5 73.5 34.1 255 255 A F E -ef 227 279A 0 -29,-1.8 -27,-1.9 -2,-0.4 25,-0.3 -0.979 16.6-145.1-131.8 142.9 47.7 77.0 34.8 256 256 A G E -ef 228 280A 0 23,-2.2 25,-2.1 -2,-0.4 2,-0.7 -0.586 17.0-112.6-107.2 168.8 48.2 78.7 38.2 257 257 A Q + 0 0 27 -29,-1.3 -26,-1.2 -2,-0.2 -25,-0.8 -0.853 39.0 159.5-106.7 100.2 47.7 82.2 39.6 258 258 A W - 0 0 0 -2,-0.7 25,-0.3 23,-0.3 2,-0.1 -0.909 36.0-138.3-119.5 94.7 50.9 83.9 40.6 259 259 A F - 0 0 104 -2,-0.6 2,-0.4 24,-0.1 -2,-0.0 -0.315 17.8-165.2 -58.3 131.3 50.2 87.6 40.7 260 260 A L - 0 0 1 -2,-0.1 3,-0.1 4,-0.0 27,-0.1 -0.974 14.2-132.7-120.9 132.3 52.9 89.8 39.2 261 261 A G > - 0 0 15 -2,-0.4 3,-2.2 1,-0.2 26,-0.1 -0.177 42.8 -69.7 -75.9 173.3 52.9 93.6 39.9 262 262 A V T 3 S+ 0 0 72 1,-0.3 -1,-0.2 25,-0.1 3,-0.1 -0.386 125.4 7.2 -61.9 139.4 53.4 96.3 37.3 263 263 A N T 3 S+ 0 0 119 1,-0.2 2,-0.4 21,-0.2 -1,-0.3 0.554 100.4 142.4 65.4 2.8 56.9 96.2 36.0 264 264 A E < + 0 0 73 -3,-2.2 2,-0.5 19,-0.1 -1,-0.2 -0.654 27.0 178.4 -83.4 131.1 57.4 93.0 38.0 265 265 A V - 0 0 72 -2,-0.4 -3,-0.0 -3,-0.1 -5,-0.0 -0.933 10.0-167.8-132.3 105.4 59.6 90.2 36.5 266 266 A S > - 0 0 11 -2,-0.5 4,-2.3 1,-0.1 5,-0.1 -0.846 22.2-169.7-102.7 126.0 60.0 87.2 38.8 267 267 A P H > S+ 0 0 98 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.841 96.5 58.3 -76.4 -29.4 62.5 84.4 38.2 268 268 A E H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.919 108.0 47.1 -61.3 -42.2 60.8 82.4 40.9 269 269 A N H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.953 111.7 49.8 -64.1 -49.8 57.7 82.8 38.8 270 270 A H H X S+ 0 0 16 -4,-2.3 4,-1.4 1,-0.2 45,-0.2 0.932 111.4 48.6 -54.2 -51.5 59.5 81.7 35.7 271 271 A K H X S+ 0 0 107 -4,-3.4 4,-2.2 2,-0.2 -1,-0.2 0.853 108.2 54.4 -58.4 -40.0 61.0 78.7 37.4 272 272 A F H X S+ 0 0 9 -4,-2.1 4,-1.0 1,-0.2 6,-0.4 0.962 110.7 44.8 -60.5 -50.6 57.6 77.6 38.7 273 273 A A H < S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.759 115.9 51.7 -64.0 -22.1 56.1 77.7 35.2 274 274 A N H < S+ 0 0 37 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.816 125.7 13.9 -88.4 -29.1 59.2 75.9 34.0 275 275 A E H < S+ 0 0 97 -4,-2.2 -2,-0.2 -3,-0.3 -1,-0.1 0.053 104.1 82.3-135.5 28.9 59.5 72.9 36.4 276 276 A S S < S- 0 0 5 -4,-1.0 -33,-0.3 2,-0.3 -3,-0.1 0.618 93.3-113.5-110.2 -16.7 56.2 72.6 38.2 277 277 A G S S+ 0 0 28 1,-0.3 2,-0.3 -5,-0.2 230,-0.3 0.247 90.0 76.0 101.3 -12.5 54.0 70.7 35.8 278 278 A M - 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