==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-JUN-03 1PJ9 . COMPND 2 MOLECULE: CYCLOMALTODEXTRIN GLUCANOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR H.J.ROZEBOOM,B.W.DIJKSTRA . 686 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 17.9 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 . 76 11.1 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 . 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 1 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 2 3 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 6 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 . 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 54 0, 0.0 544,-0.1 0, 0.0 546,-0.1 0.000 360.0 360.0 360.0 152.4 41.6 63.4 15.9 2 2 A P > - 0 0 54 0, 0.0 3,-2.0 0, 0.0 6,-0.1 -0.314 360.0-108.8 -75.3 160.8 43.2 66.7 14.8 3 3 A D T 3 S+ 0 0 2 1,-0.3 11,-0.2 516,-0.2 8,-0.1 0.810 119.2 57.5 -57.0 -29.0 45.2 69.0 17.1 4 4 A T T 3 S+ 0 0 38 395,-0.1 -1,-0.3 9,-0.1 396,-0.0 0.456 80.0 123.4 -83.1 -2.4 42.2 71.4 17.0 5 5 A S S X S- 0 0 28 -3,-2.0 3,-1.8 1,-0.1 0, 0.0 -0.245 70.4-127.5 -62.4 146.7 39.7 68.9 18.4 6 6 A V T 3 S+ 0 0 22 1,-0.3 -1,-0.1 120,-0.1 -3,-0.0 0.743 108.9 68.9 -63.9 -20.7 37.7 69.7 21.5 7 7 A S T 3 S+ 0 0 61 -5,-0.1 2,-1.4 1,-0.1 -1,-0.3 0.591 71.2 102.1 -75.0 -10.8 39.0 66.3 22.7 8 8 A N X + 0 0 0 -3,-1.8 3,-0.6 1,-0.2 -1,-0.1 -0.604 40.4 168.1 -79.6 93.5 42.6 67.6 23.0 9 9 A K T 3 S+ 0 0 53 -2,-1.4 244,-2.9 1,-0.2 -1,-0.2 0.582 70.9 60.0 -81.2 -10.4 43.0 68.2 26.7 10 10 A Q T 3 S+ 0 0 26 242,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.580 102.7 50.9 -93.2 -9.9 46.7 68.6 26.5 11 11 A N < + 0 0 0 -3,-0.6 -1,-0.2 -8,-0.1 3,-0.1 -0.966 41.1 160.2-138.6 117.6 46.8 71.6 24.1 12 12 A F > + 0 0 0 -2,-0.4 3,-1.4 1,-0.1 -1,-0.1 0.239 53.1 102.3-115.6 10.2 44.9 75.0 24.4 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 -9,-0.1 0.734 83.7 48.9 -68.1 -22.3 47.1 77.0 22.1 14 14 A T T 3 S+ 0 0 2 -11,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.382 106.0 81.8 -94.6 3.3 44.5 76.8 19.2 15 15 A D < - 0 0 1 -3,-1.4 2,-0.4 383,-0.1 56,-0.1 -0.569 68.0-141.7-105.2 167.7 41.8 77.8 21.7 16 16 A V - 0 0 1 -2,-0.2 56,-1.9 54,-0.2 57,-1.1 -0.987 22.9-145.3-129.4 118.2 40.4 81.0 23.1 17 17 A I E -ab 73 357A 0 339,-3.1 341,-3.1 -2,-0.4 2,-0.6 -0.647 5.7-156.9 -87.6 139.6 39.4 80.9 26.8 18 18 A Y E -ab 74 358A 0 55,-2.0 57,-2.1 -2,-0.3 2,-0.8 -0.974 16.3-142.2-115.3 115.2 36.5 82.9 28.2 19 19 A Q E -ab 75 359A 7 339,-3.1 341,-2.6 -2,-0.6 2,-0.5 -0.709 19.3-162.9 -84.6 111.4 36.9 83.4 31.9 20 20 A I - 0 0 2 55,-2.7 2,-1.2 -2,-0.8 57,-0.4 -0.814 20.0-155.8-100.9 126.1 33.5 83.1 33.6 21 21 A F > - 0 0 3 -2,-0.5 3,-2.2 1,-0.2 4,-0.5 -0.831 24.7-150.6 -93.4 92.7 32.7 84.4 37.1 22 22 A N G >> S+ 0 0 0 -2,-1.2 3,-1.5 1,-0.3 4,-0.8 0.783 87.2 51.3 -31.5 -57.7 29.8 81.9 37.5 23 23 A D G 34 S+ 0 0 2 74,-0.5 29,-2.1 1,-0.3 -1,-0.3 0.747 114.5 43.4 -59.8 -26.4 27.7 84.1 39.9 24 24 A R G <4 S+ 0 0 0 -3,-2.2 354,-2.2 27,-0.1 -1,-0.3 0.307 105.4 63.5-105.8 9.1 27.9 87.1 37.6 25 25 A F T <4 S- 0 0 5 -3,-1.5 2,-0.3 -4,-0.5 -2,-0.1 0.907 110.8 -22.4 -97.6 -69.3 27.2 85.5 34.2 26 26 A S < - 0 0 25 -4,-0.8 27,-2.3 27,-0.2 2,-1.2 -0.894 41.7-145.5-156.0 123.4 23.8 83.9 34.0 27 27 A D + 0 0 52 25,-0.3 25,-0.2 -2,-0.3 27,-0.1 -0.716 29.9 163.8 -85.5 94.8 21.2 82.6 36.6 28 28 A G S S+ 0 0 23 -2,-1.2 -1,-0.2 1,-0.2 24,-0.1 0.628 70.4 38.3 -87.9 -15.3 19.8 79.7 34.7 29 29 A N > - 0 0 52 22,-0.4 3,-1.4 -3,-0.1 -1,-0.2 -0.798 58.5-177.0-139.4 94.8 18.2 78.1 37.8 30 30 A P G > S+ 0 0 87 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.720 78.2 76.1 -61.7 -21.0 16.6 80.5 40.3 31 31 A A G 3 S+ 0 0 90 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.751 93.4 48.2 -64.5 -26.9 15.8 77.5 42.5 32 32 A N G < S+ 0 0 31 -3,-1.4 -1,-0.3 79,-0.1 81,-0.1 0.356 82.2 126.1 -96.8 7.2 19.5 77.1 43.7 33 33 A N < - 0 0 26 -3,-1.3 6,-0.1 -4,-0.2 79,-0.0 -0.382 66.7-113.9 -66.3 136.8 20.0 80.7 44.6 34 34 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.239 39.2-137.0 -62.5 165.2 21.2 81.4 48.1 35 35 A T > + 0 0 120 4,-0.0 3,-1.4 5,-0.0 14,-0.1 -0.705 48.4 7.6-123.4 174.6 18.6 83.2 50.2 36 36 A G G > S- 0 0 62 1,-0.2 3,-1.7 -2,-0.2 0, 0.0 -0.260 122.5 -4.4 63.7-139.2 18.3 86.0 52.8 37 37 A A G 3 S+ 0 0 59 1,-0.3 -1,-0.2 3,-0.0 56,-0.0 0.544 129.2 64.4 -67.9 -8.1 21.3 88.3 53.6 38 38 A A G < S+ 0 0 13 -3,-1.4 11,-2.5 10,-0.1 2,-0.4 0.421 98.5 66.7 -95.1 2.2 23.5 86.2 51.3 39 39 A F B < +g 49 0B 57 -3,-1.7 2,-0.3 9,-0.2 11,-0.2 -0.956 42.5 171.5-133.7 143.8 21.6 87.1 48.2 40 40 A D > - 0 0 30 9,-2.6 3,-1.8 -2,-0.4 8,-0.1 -0.790 10.8-169.1-146.2 97.0 20.8 90.1 46.0 41 41 A G T 3 S+ 0 0 33 1,-0.3 9,-0.1 -2,-0.3 -1,-0.1 0.698 88.9 57.6 -61.0 -22.2 19.0 89.2 42.8 42 42 A T T 3 S- 0 0 93 3,-0.0 -1,-0.3 335,-0.0 335,-0.1 0.579 101.3-136.8 -83.6 -10.7 19.5 92.7 41.3 43 43 A a < + 0 0 13 -3,-1.8 334,-0.4 6,-0.2 3,-0.1 0.904 64.7 129.6 53.6 45.6 23.2 92.2 41.8 44 44 A T + 0 0 111 1,-0.2 2,-1.0 332,-0.1 -1,-0.1 0.796 62.8 61.8 -91.6 -39.2 23.6 95.7 43.1 45 45 A N S > S- 0 0 63 1,-0.1 3,-1.6 4,-0.1 -1,-0.2 -0.788 74.3-165.4 -89.1 101.1 25.6 94.5 46.1 46 46 A L T 3 S+ 0 0 23 -2,-1.0 -1,-0.1 1,-0.3 4,-0.1 0.353 80.0 64.4 -73.2 7.8 28.6 93.0 44.4 47 47 A R T 3 S+ 0 0 90 2,-0.1 48,-2.0 46,-0.1 50,-0.3 0.439 95.0 66.7-108.0 -2.1 29.7 91.1 47.6 48 48 A L S < S- 0 0 14 -3,-1.6 -9,-0.2 46,-0.2 2,-0.2 -0.627 99.0 -77.9-111.5 171.0 26.6 88.8 47.8 49 49 A Y B -g 39 0B 17 -11,-2.5 -9,-2.6 -2,-0.2 -6,-0.2 -0.507 35.3-173.3 -70.2 136.8 25.4 86.0 45.6 50 50 A a - 0 0 1 -2,-0.2 -1,-0.1 -11,-0.2 -23,-0.1 0.599 47.8-105.3-104.3 -19.1 23.7 87.3 42.4 51 51 A G + 0 0 2 1,-0.3 -22,-0.4 -19,-0.1 -23,-0.2 0.240 62.4 151.2 116.9 -15.2 22.4 83.9 41.2 52 52 A G + 0 0 3 -29,-2.1 -25,-0.3 -25,-0.2 -1,-0.3 -0.233 22.6 159.2 -54.0 134.0 24.7 83.0 38.3 53 53 A D > - 0 0 0 -27,-2.3 4,-1.4 -30,-0.1 -27,-0.2 -0.779 53.8 -83.1-146.2-173.5 25.1 79.2 37.9 54 54 A W H > S+ 0 0 0 58,-2.3 4,-2.5 -2,-0.2 5,-0.2 0.857 120.8 56.5 -68.9 -36.2 26.0 76.2 35.7 55 55 A Q H > S+ 0 0 57 57,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.877 105.4 54.6 -63.1 -34.2 22.6 76.0 34.1 56 56 A G H > S+ 0 0 0 -30,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.909 107.5 48.2 -64.0 -41.5 23.1 79.6 33.0 57 57 A I H X S+ 0 0 0 -4,-1.4 4,-1.7 -31,-0.2 -2,-0.2 0.919 109.7 53.4 -64.7 -42.2 26.4 78.7 31.4 58 58 A I H X S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.908 109.0 49.6 -57.7 -43.3 24.7 75.8 29.6 59 59 A N H X S+ 0 0 64 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.903 110.8 47.7 -64.4 -42.2 22.1 78.2 28.3 60 60 A K H <>S+ 0 0 20 -4,-2.1 6,-1.2 2,-0.2 5,-0.7 0.742 111.9 51.7 -71.9 -22.6 24.6 80.7 27.0 61 61 A I H ><5S+ 0 0 0 -4,-1.7 3,-0.7 -5,-0.2 6,-0.3 0.891 114.3 43.4 -75.4 -42.3 26.5 77.7 25.4 62 62 A N H 3<5S+ 0 0 83 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.777 109.8 53.9 -76.3 -27.7 23.3 76.5 23.7 63 63 A D T 3<5S- 0 0 94 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.1 0.359 112.4-111.2 -92.1 9.4 22.0 79.9 22.5 64 64 A G T <>5S+ 0 0 22 -3,-0.7 4,-2.6 -4,-0.1 5,-0.2 0.422 78.2 125.7 85.8 -0.8 25.2 80.8 20.7 65 65 A Y T 4>>S+ 0 0 0 -6,-1.2 5,-1.9 2,-0.2 3,-1.1 0.928 122.2 50.3 -76.1 -45.7 30.0 82.0 23.2 67 67 A T G >45S+ 0 0 55 -7,-0.4 3,-1.0 -6,-0.3 -2,-0.2 0.905 107.9 54.5 -60.1 -40.8 30.0 80.0 20.0 68 68 A G G 3<5S+ 0 0 31 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.709 106.9 52.8 -66.3 -17.9 29.2 83.0 17.9 69 69 A M G <45S- 0 0 0 -3,-1.1 326,-0.3 -4,-0.4 -1,-0.3 0.610 116.9-111.1 -91.9 -15.9 32.1 84.8 19.5 70 70 A G T <<5 + 0 0 14 -3,-1.0 2,-0.3 -4,-0.8 -3,-0.2 0.575 62.8 154.7 94.2 9.7 34.6 82.1 18.6 71 71 A V < + 0 0 4 -5,-1.9 -1,-0.3 -6,-0.1 -54,-0.2 -0.557 15.4 173.5 -70.8 132.5 35.1 81.1 22.2 72 72 A T + 0 0 25 -56,-1.9 59,-2.4 -2,-0.3 2,-0.3 0.268 61.4 35.0-125.4 7.8 36.3 77.4 22.3 73 73 A A E -ac 17 131A 0 -57,-1.1 -55,-2.0 57,-0.3 2,-0.4 -0.975 61.8-154.3-159.1 147.5 37.0 77.0 26.0 74 74 A I E -ac 18 132A 0 57,-2.4 59,-3.3 -2,-0.3 2,-0.6 -0.987 5.5-155.3-129.9 140.1 35.7 78.3 29.3 75 75 A W E -ac 19 133A 6 -57,-2.1 -55,-2.7 -2,-0.4 59,-0.2 -0.965 26.3-171.1-113.3 112.5 37.4 78.8 32.6 76 76 A I E - c 0 134A 1 57,-2.7 59,-1.5 -2,-0.6 151,-0.1 -0.593 28.8 -79.8-105.5 166.7 34.8 78.6 35.4 77 77 A S - 0 0 4 -57,-0.4 58,-0.2 -2,-0.2 -1,-0.2 -0.114 66.7 -74.6 -57.9 157.1 34.8 79.3 39.1 78 78 A Q - 0 0 0 20,-0.4 -1,-0.2 56,-0.2 58,-0.2 -0.381 47.0-150.7 -53.8 126.7 36.1 76.7 41.5 79 79 A P + 0 0 0 0, 0.0 30,-1.7 0, 0.0 -1,-0.2 0.560 56.9 107.5 -81.0 -9.7 33.3 74.1 41.5 80 80 A V E S-H 108 0C 0 28,-0.3 28,-0.3 19,-0.2 25,-0.2 -0.247 83.7 -82.5 -74.3 158.2 33.7 72.7 45.0 81 81 A E E -H 104 0C 15 26,-1.5 22,-2.8 23,-1.2 23,-1.7 -0.367 49.7-161.9 -60.6 127.3 31.5 73.4 48.0 82 82 A N E -H 102 0C 2 20,-0.3 20,-0.2 21,-0.2 60,-0.1 -0.554 32.1 -76.8-103.1 172.0 32.4 76.7 49.7 83 83 A I - 0 0 2 18,-1.9 13,-0.3 -2,-0.2 -1,-0.2 -0.305 29.4-147.0 -65.7 155.3 31.5 77.9 53.1 84 84 A Y + 0 0 120 11,-0.1 -1,-0.1 -3,-0.1 68,-0.0 0.449 59.4 121.1-101.5 -4.6 27.9 79.1 53.6 85 85 A S - 0 0 29 1,-0.1 2,-0.7 10,-0.1 11,-0.2 -0.248 60.2-139.1 -62.9 143.7 28.9 81.8 56.1 86 86 A I - 0 0 65 9,-0.1 2,-0.4 66,-0.1 9,-0.2 -0.926 25.8-149.9-103.5 108.2 28.2 85.4 55.6 87 87 A I E -K 94 0D 5 7,-2.5 7,-2.0 -2,-0.7 2,-0.7 -0.680 3.7-147.8 -88.2 130.4 31.3 87.2 56.7 88 88 A N E -K 93 0D 92 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.851 14.2-174.7 -98.4 111.0 31.1 90.7 58.2 89 89 A Y E > S-K 92 0D 76 3,-3.0 3,-0.6 -2,-0.7 -2,-0.0 -0.880 74.3 -34.0-108.7 100.9 34.2 92.7 57.4 90 90 A S T 3 S- 0 0 129 -2,-0.7 -1,-0.2 1,-0.2 3,-0.1 0.930 128.4 -38.9 54.1 50.9 34.0 96.1 59.2 91 91 A G T 3 S+ 0 0 62 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.542 117.9 108.6 81.1 7.2 30.3 96.4 58.8 92 92 A V E < -K 89 0D 58 -3,-0.6 -3,-3.0 -45,-0.0 2,-0.2 -0.971 63.3-133.8-122.4 123.8 30.1 94.9 55.2 93 93 A N E -K 88 0D 63 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.495 23.6-172.0 -75.5 141.5 28.7 91.4 54.5 94 94 A N E -K 87 0D 24 -7,-2.0 -7,-2.5 -2,-0.2 2,-0.2 -0.991 4.0-168.6-135.7 140.9 30.6 89.1 52.2 95 95 A T - 0 0 3 -48,-2.0 3,-0.4 -2,-0.4 -9,-0.1 -0.719 36.6-108.0-121.4 173.9 29.8 85.7 50.7 96 96 A A > + 0 0 1 -13,-0.3 3,-2.1 -11,-0.2 5,-0.2 -0.064 69.5 130.9 -92.5 32.7 31.7 83.0 48.9 97 97 A Y T 3 + 0 0 6 -50,-0.3 -74,-0.5 1,-0.3 -1,-0.2 0.793 68.6 61.3 -55.0 -28.5 30.0 83.9 45.5 98 98 A H T 3 S- 0 0 15 -3,-0.4 -20,-0.4 -51,-0.1 -1,-0.3 0.662 103.9-132.3 -74.2 -18.5 33.5 83.9 44.0 99 99 A G S < S+ 0 0 0 -3,-2.1 -19,-0.2 -22,-0.1 -2,-0.1 0.496 73.6 114.5 81.0 6.4 34.1 80.2 44.9 100 100 A Y + 0 0 23 1,-0.2 2,-0.7 36,-0.1 40,-0.1 0.402 55.4 78.9 -91.2 3.1 37.5 80.6 46.5 101 101 A W S S- 0 0 27 -5,-0.2 -18,-1.9 -18,-0.1 41,-0.2 -0.652 70.1-171.7-111.3 74.9 36.5 79.7 50.1 102 102 A A E +H 82 0C 0 39,-0.7 -20,-0.3 -2,-0.7 3,-0.1 -0.301 26.2 166.9 -70.0 146.7 36.4 75.9 49.9 103 103 A R E S+ 0 0 38 -22,-2.8 55,-3.5 1,-0.2 2,-0.3 0.492 79.4 22.0-126.8 -24.5 35.1 73.7 52.7 104 104 A D E > -Hi 81 158C 0 -23,-1.7 3,-1.3 53,-0.2 -23,-1.2 -0.831 55.9-169.9-150.2 106.2 34.8 70.4 50.8 105 105 A F E 3 S+ 0 0 0 53,-0.5 54,-0.1 -2,-0.3 -1,-0.1 0.509 87.8 60.2 -74.4 -3.8 36.8 69.7 47.6 106 106 A K E 3 S+ 0 0 43 52,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.326 100.7 60.1-105.8 7.4 34.8 66.5 46.9 107 107 A K E < S- 0 0 71 -3,-1.3 -26,-1.5 -26,-0.1 2,-0.1 -0.862 81.7-111.0-128.6 164.3 31.4 68.2 46.7 108 108 A T E -H 80 0C 19 -28,-0.3 -28,-0.3 -2,-0.3 -27,-0.2 -0.481 32.5-105.3 -90.6 164.3 29.9 70.9 44.4 109 109 A N >> - 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0 0 1 -56,-2.4 -57,-1.4 -2,-0.4 2,-0.6 -0.419 35.1-135.6 -59.6 111.3 43.5 79.1 56.6 199 199 A D E -L 140 0E 2 -2,-0.5 -23,-2.7 -23,-0.4 -59,-0.2 -0.597 14.1-132.0 -78.4 116.7 46.7 77.9 54.9 200 200 A L B -M 175 0F 0 -61,-2.0 2,-0.9 -2,-0.6 -25,-0.3 -0.385 11.0-133.4 -67.3 141.6 46.6 74.2 54.1 201 201 A N > - 0 0 17 -27,-3.1 3,-1.8 1,-0.1 6,-0.3 -0.825 19.5-174.5 -99.3 97.2 49.7 72.2 55.1 202 202 A H T 3 S+ 0 0 4 -2,-0.9 -1,-0.1 1,-0.3 386,-0.1 0.546 79.9 69.4 -71.2 -5.6 50.6 70.1 52.1 203 203 A N T 3 S+ 0 0 28 474,-0.1 2,-0.5 4,-0.1 -1,-0.3 0.570 78.9 93.6 -85.0 -11.1 53.4 68.3 54.2 204 204 A N S <> S- 0 0 24 -3,-1.8 4,-2.7 -30,-0.2 5,-0.2 -0.746 77.8-141.3 -82.0 122.7 50.6 66.7 56.2 205 205 A S H > S+ 0 0 50 -2,-0.5 4,-2.8 1,-0.2 5,-0.3 0.832 98.9 54.9 -54.9 -38.3 49.9 63.3 54.6 206 206 A T H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.950 111.8 43.1 -61.4 -49.6 46.1 63.6 55.1 207 207 A V H > S+ 0 0 0 -6,-0.3 4,-2.5 2,-0.2 5,-0.2 0.921 115.3 50.8 -61.7 -45.1 46.0 66.9 53.3 208 208 A D H X S+ 0 0 3 -4,-2.7 4,-1.8 -7,-0.3 -2,-0.2 0.963 115.4 39.3 -57.5 -57.9 48.3 65.7 50.5 209 209 A V H X S+ 0 0 55 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.909 114.5 56.2 -60.6 -43.0 46.4 62.5 49.8 210 210 A Y H X S+ 0 0 7 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.923 108.4 44.4 -55.2 -52.7 43.1 64.3 50.1 211 211 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.863 113.6 50.2 -65.3 -36.3 43.8 67.0 47.6 212 212 A K H X S+ 0 0 18 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.873 111.8 48.2 -70.5 -35.4 45.2 64.5 45.0 213 213 A D H X S+ 0 0 69 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.899 110.3 54.7 -67.6 -39.1 42.2 62.3 45.5 214 214 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 3,-0.5 0.926 105.4 48.8 -61.1 -48.5 40.0 65.3 45.0 215 215 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.860 105.8 60.3 -62.7 -32.2 41.4 66.5 41.7 216 216 A K H X S+ 0 0 73 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.885 100.1 55.2 -61.4 -38.9 41.0 62.9 40.4 217 217 A M H X S+ 0 0 49 -4,-1.4 4,-0.9 -3,-0.5 -1,-0.2 0.932 110.5 44.6 -59.1 -47.1 37.3 63.1 41.0 218 218 A W H <>S+ 0 0 0 -4,-1.5 5,-1.4 1,-0.2 3,-0.3 0.866 110.9 53.5 -67.3 -35.7 37.0 66.2 38.9 219 219 A L H ><5S+ 0 0 9 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.878 106.8 53.2 -64.8 -36.5 39.3 64.6 36.2 220 220 A D H 3<5S+ 0 0 82 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.742 99.9 62.5 -69.8 -22.3 36.9 61.7 36.2 221 221 A L T 3<5S- 0 0 31 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.487 123.1-104.4 -81.1 -3.2 34.0 64.1 35.6 222 222 A G T < 5 + 0 0 18 -3,-1.4 -90,-0.2 -4,-0.2 -3,-0.2 0.668 56.5 166.9 94.7 17.8 35.7 65.1 32.3 223 223 A I < - 0 0 2 -5,-1.4 -1,-0.2 1,-0.1 -90,-0.2 -0.281 26.2-152.4 -62.6 153.8 37.3 68.5 32.8 224 224 A D - 0 0 1 -92,-3.0 29,-0.9 1,-0.2 2,-0.3 0.533 68.1 -0.1-105.2 -11.1 39.7 69.5 30.1 225 225 A G E -de 133 253A 0 -93,-1.2 -91,-1.8 27,-0.2 2,-0.4 -0.987 59.2-129.1-168.2 169.2 42.0 71.7 32.1 226 226 A I E -de 134 254A 0 27,-2.5 29,-2.5 -2,-0.3 2,-0.7 -0.997 2.3-157.6-135.8 133.7 42.8 73.3 35.5 227 227 A R E -de 135 255A 1 -93,-2.5 -91,-2.1 -2,-0.4 2,-0.5 -0.944 24.5-147.3-108.2 108.8 43.5 76.9 36.5 228 228 A M E > -de 136 256A 0 27,-2.5 29,-2.7 -2,-0.7 3,-0.5 -0.678 10.8-134.1 -83.9 123.4 45.5 76.6 39.8 229 229 A D T 3 S- 0 0 14 -93,-2.7 -90,-0.2 -2,-0.5 4,-0.1 -0.515 73.4 -9.0 -79.1 139.7 44.9 79.4 42.3 230 230 A A T > + 0 0 3 -2,-0.2 3,-1.7 1,-0.1 -1,-0.2 0.831 68.0 166.7 44.6 52.1 47.7 81.2 44.1 231 231 A V G X S+ 0 0 0 26,-1.1 3,-1.0 -3,-0.5 27,-0.2 0.711 71.2 66.6 -69.3 -17.6 50.6 78.9 43.0 232 232 A K G 3 S+ 0 0 36 25,-0.9 -1,-0.3 1,-0.2 4,-0.1 0.643 100.4 54.1 -73.7 -11.9 53.1 81.5 44.2 233 233 A H G < S+ 0 0 19 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.249 97.3 70.8-108.4 11.1 51.8 80.7 47.7 234 234 A M S < S- 0 0 0 -3,-1.0 2,-0.1 -43,-0.0 -43,-0.1 -0.909 98.6 -82.8-124.3 154.2 52.2 76.9 47.8 235 235 A P > - 0 0 6 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.357 34.0-144.4 -57.0 125.1 55.4 74.8 47.9 236 236 A F H > S+ 0 0 33 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.866 99.7 52.5 -60.6 -35.7 56.8 74.6 44.4 237 237 A G H > S+ 0 0 10 402,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.889 108.3 48.6 -67.9 -40.9 58.0 71.0 45.1 238 238 A W H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.917 109.5 53.8 -64.6 -41.7 54.6 69.9 46.4 239 239 A Q H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.851 104.7 54.3 -62.6 -33.7 52.9 71.4 43.3 240 240 A K H X S+ 0 0 29 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.919 108.9 48.3 -64.8 -40.8 55.3 69.4 41.1 241 241 A S H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.827 110.9 52.5 -67.3 -30.1 54.2 66.2 42.9 242 242 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.934 109.0 47.5 -69.6 -46.9 50.6 67.4 42.4 243 243 A M H X S+ 0 0 1 -4,-2.7 4,-3.3 33,-0.3 -2,-0.2 0.847 110.1 54.6 -62.7 -32.6 51.0 67.9 38.6 244 244 A A H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.905 105.8 51.5 -66.4 -41.4 52.7 64.4 38.5 245 245 A A H < S+ 0 0 24 -4,-1.8 5,-0.2 2,-0.2 -2,-0.2 0.925 114.8 43.8 -60.2 -44.4 49.6 62.9 40.2 246 246 A V H >X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 3,-1.4 0.963 117.4 43.6 -64.5 -52.9 47.5 64.6 37.5 247 247 A N H 3< S+ 0 0 3 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.809 110.6 53.7 -66.6 -32.0 49.7 63.7 34.6 248 248 A N T 3< S+ 0 0 25 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.406 123.1 30.1 -83.8 4.5 50.4 60.1 35.7 249 249 A Y T <4 S- 0 0 98 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.2 0.605 141.3 -18.5-119.2 -75.4 46.6 59.6 35.8 250 250 A K S < S- 0 0 91 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.1 -0.787 70.9-146.1-141.4 92.0 44.7 61.8 33.4 251 251 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 -242,-0.1 -0.365 23.1 171.7 -65.4 133.8 46.8 64.7 32.1 252 252 A V - 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