==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-NOV-01 1KCK . COMPND 2 MOLECULE: CYCLODEXTRIN GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR H.J.ROZEBOOM,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) . 23203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 63.7 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 . 122 17.8 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 . 57 8.3 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 . 97 14.1 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 0 1 0 0 3 0 2 1 1 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 7 4 2 3 0 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 55 0, 0.0 544,-0.1 0, 0.0 546,-0.0 0.000 360.0 360.0 360.0 154.3 43.7 64.5 16.2 2 2 A P > - 0 0 55 0, 0.0 3,-1.9 0, 0.0 5,-0.1 -0.195 360.0-106.3 -68.6 163.4 45.3 67.7 15.0 3 3 A D T 3 S+ 0 0 2 1,-0.3 11,-0.2 516,-0.2 8,-0.1 0.759 121.1 55.8 -60.5 -25.0 47.3 70.0 17.3 4 4 A T T 3 S+ 0 0 37 395,-0.1 -1,-0.3 9,-0.1 396,-0.0 0.379 82.4 120.9 -90.2 2.8 44.4 72.5 17.3 5 5 A S S X S- 0 0 26 -3,-1.9 3,-1.6 1,-0.1 0, 0.0 -0.306 73.1-123.7 -67.7 150.6 41.9 69.9 18.5 6 6 A V T 3 S+ 0 0 24 1,-0.3 -1,-0.1 120,-0.1 -3,-0.0 0.697 108.9 68.9 -66.7 -17.8 39.9 70.5 21.7 7 7 A S T 3 S+ 0 0 70 -5,-0.1 2,-1.4 1,-0.1 -1,-0.3 0.543 71.1 102.8 -79.2 -6.1 41.3 67.2 22.9 8 8 A N X + 0 0 3 -3,-1.6 3,-0.6 1,-0.2 -1,-0.1 -0.619 39.8 167.2 -82.3 90.4 44.8 68.6 23.2 9 9 A K T 3 S+ 0 0 50 -2,-1.4 244,-2.7 1,-0.2 -1,-0.2 0.579 71.0 59.0 -79.1 -10.7 45.1 69.2 26.9 10 10 A Q T 3 S+ 0 0 24 242,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.537 102.0 53.9 -96.0 -8.0 48.9 69.8 26.7 11 11 A N < + 0 0 0 -3,-0.6 -1,-0.2 -8,-0.1 3,-0.1 -0.973 41.5 159.4-135.5 120.8 48.9 72.7 24.3 12 12 A F > + 0 0 0 -2,-0.4 3,-1.3 1,-0.1 -1,-0.1 0.262 51.6 102.4-118.7 9.5 47.0 76.0 24.6 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 -9,-0.1 0.707 84.4 47.9 -67.9 -21.4 49.1 78.2 22.3 14 14 A T T 3 S+ 0 0 2 -11,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.405 104.9 83.1 -97.0 1.2 46.5 77.9 19.5 15 15 A D < - 0 0 0 -3,-1.3 2,-0.4 383,-0.1 56,-0.1 -0.529 67.5-142.3-101.8 168.0 43.7 78.8 22.0 16 16 A V - 0 0 1 -2,-0.2 56,-1.7 54,-0.1 57,-1.2 -0.982 22.5-144.1-130.7 115.8 42.3 82.0 23.4 17 17 A I E -ab 73 357A 0 339,-3.0 341,-3.4 -2,-0.4 2,-0.6 -0.625 6.0-157.0 -86.0 139.4 41.3 81.8 27.1 18 18 A Y E -ab 74 358A 0 55,-2.3 57,-2.1 -2,-0.3 2,-0.6 -0.953 14.0-144.4-116.6 109.7 38.3 83.7 28.5 19 19 A Q E -ab 75 359A 8 339,-3.3 341,-2.5 -2,-0.6 2,-0.5 -0.648 19.4-168.1 -79.5 117.1 38.6 84.3 32.2 20 20 A I E -a 76 0A 1 55,-3.0 2,-1.3 -2,-0.6 57,-0.5 -0.903 23.4-150.0-111.2 129.5 35.2 84.0 33.9 21 21 A F > - 0 0 3 -2,-0.5 3,-2.3 1,-0.2 4,-0.3 -0.797 24.6-150.6 -91.7 91.0 34.3 85.1 37.4 22 22 A T G >> S+ 0 0 0 -2,-1.3 3,-1.3 1,-0.3 4,-0.9 0.766 89.0 49.6 -30.4 -53.9 31.6 82.5 37.8 23 23 A D G 34 S+ 0 0 2 74,-0.4 29,-2.2 1,-0.3 -1,-0.3 0.777 114.3 44.4 -64.2 -28.6 29.5 84.5 40.2 24 24 A R G <4 S+ 0 0 0 -3,-2.3 354,-1.8 27,-0.1 -1,-0.3 0.167 105.1 64.7-104.3 18.4 29.5 87.7 38.1 25 25 A F T <4 S- 0 0 4 -3,-1.3 2,-0.3 -4,-0.3 -2,-0.1 0.871 108.8 -22.6-103.7 -64.8 28.9 86.1 34.7 26 26 A S < - 0 0 27 -4,-0.9 27,-2.2 27,-0.2 2,-1.2 -0.892 41.8-142.0-160.1 125.5 25.4 84.5 34.5 27 27 A D + 0 0 57 25,-0.3 25,-0.2 -2,-0.3 27,-0.1 -0.719 31.6 162.2 -87.0 94.1 22.8 83.1 36.9 28 28 A G S S+ 0 0 25 -2,-1.2 -1,-0.2 1,-0.3 24,-0.1 0.616 71.5 34.2 -88.8 -14.1 21.5 80.1 35.0 29 29 A N > - 0 0 52 22,-0.4 3,-1.4 -3,-0.1 -1,-0.3 -0.767 58.3-177.4-144.5 94.3 19.9 78.4 38.0 30 30 A P G > S+ 0 0 92 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.613 75.4 80.4 -66.2 -11.6 18.5 80.7 40.8 31 31 A A G 3 S+ 0 0 89 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.739 93.5 45.9 -69.1 -23.3 17.6 77.6 42.9 32 32 A N G < S+ 0 0 32 -3,-1.4 -1,-0.2 79,-0.1 81,-0.1 0.335 82.8 125.3-101.4 6.6 21.2 77.4 44.1 33 33 A N < - 0 0 27 -3,-1.1 6,-0.1 -4,-0.1 79,-0.0 -0.392 65.6-113.5 -66.8 139.0 21.7 81.1 44.9 34 34 A P - 0 0 31 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.125 35.3-141.5 -63.4 172.7 22.8 81.8 48.5 35 35 A T > + 0 0 121 4,-0.0 3,-1.0 5,-0.0 2,-0.2 -0.830 49.6 20.2-134.0 172.0 20.3 83.6 50.8 36 36 A G G > S- 0 0 66 -2,-0.3 3,-1.2 1,-0.2 0, 0.0 -0.465 122.4 -14.0 76.1-141.3 20.2 86.2 53.5 37 37 A A G 3 S+ 0 0 61 1,-0.3 -1,-0.2 -2,-0.2 56,-0.0 0.380 130.2 69.1 -79.8 3.9 23.0 88.7 54.0 38 38 A A G < S+ 0 0 14 -3,-1.0 11,-1.8 10,-0.1 2,-0.4 0.353 94.7 66.4-101.3 3.5 25.1 86.5 51.7 39 39 A F B < +g 49 0B 59 -3,-1.2 2,-0.2 9,-0.2 11,-0.2 -0.971 44.1 170.8-133.6 144.8 23.1 87.3 48.6 40 40 A D > - 0 0 30 9,-2.1 3,-2.1 -2,-0.4 5,-0.1 -0.705 9.3-171.3-149.9 91.0 22.4 90.4 46.5 41 41 A G T 3 S+ 0 0 36 1,-0.3 9,-0.1 -2,-0.2 -1,-0.1 0.697 89.1 56.7 -57.0 -24.1 20.5 89.7 43.2 42 42 A T T 3 S- 0 0 96 3,-0.0 -1,-0.3 0, 0.0 8,-0.1 0.623 99.8-140.3 -82.3 -13.9 21.0 93.2 42.0 43 43 A a < + 0 0 13 -3,-2.1 334,-0.4 6,-0.2 -2,-0.1 0.887 62.3 129.7 55.3 43.2 24.7 92.7 42.4 44 44 A T + 0 0 114 1,-0.2 2,-1.1 332,-0.1 -1,-0.1 0.751 62.5 64.1 -91.8 -32.4 25.2 96.2 43.7 45 45 A N S > S- 0 0 68 1,-0.1 3,-1.7 4,-0.1 -1,-0.2 -0.809 74.1-167.0 -93.3 96.3 27.1 95.0 46.7 46 46 A L T 3 S+ 0 0 25 -2,-1.1 -1,-0.1 1,-0.3 4,-0.1 0.348 78.5 65.2 -70.1 7.2 30.1 93.5 44.9 47 47 A R T 3 S+ 0 0 88 2,-0.1 48,-1.9 46,-0.1 50,-0.3 0.431 94.5 65.3-107.8 -2.2 31.3 91.7 48.0 48 48 A L S < S- 0 0 13 -3,-1.7 -9,-0.2 46,-0.2 2,-0.1 -0.633 99.5 -77.1-111.9 172.1 28.3 89.3 48.3 49 49 A Y B -g 39 0B 17 -11,-1.8 -9,-2.1 -2,-0.2 -6,-0.2 -0.452 34.7-171.9 -69.5 142.9 27.1 86.5 46.0 50 50 A a - 0 0 0 -11,-0.2 -1,-0.1 -2,-0.1 -23,-0.1 0.578 47.8-103.7-110.0 -17.8 25.3 87.7 42.9 51 51 A G + 0 0 2 1,-0.3 -22,-0.4 -19,-0.1 -23,-0.2 0.257 62.6 151.2 117.1 -14.5 24.1 84.3 41.6 52 52 A G + 0 0 2 -29,-2.2 -25,-0.3 -25,-0.2 -1,-0.3 -0.220 20.7 164.6 -53.7 136.9 26.4 83.4 38.7 53 53 A D > - 0 0 0 -27,-2.2 4,-1.3 -31,-0.1 -27,-0.2 -0.847 51.9 -91.7-145.3-179.2 26.8 79.6 38.3 54 54 A W H > S+ 0 0 0 58,-2.1 4,-2.4 -2,-0.2 5,-0.1 0.822 120.4 58.5 -68.5 -32.4 28.0 76.9 35.9 55 55 A Q H > S+ 0 0 55 57,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.887 104.3 53.6 -63.5 -36.7 24.5 76.4 34.4 56 56 A G H > S+ 0 0 0 -30,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.879 107.5 49.3 -64.4 -38.8 24.7 80.1 33.4 57 57 A I H X S+ 0 0 0 -4,-1.3 4,-1.1 -31,-0.2 -2,-0.2 0.909 108.1 54.5 -65.8 -42.5 28.1 79.5 31.7 58 58 A I H X S+ 0 0 11 -4,-2.4 4,-1.8 1,-0.2 3,-0.5 0.893 106.7 51.2 -58.6 -41.1 26.5 76.5 29.9 59 59 A N H X S+ 0 0 64 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.902 108.7 50.5 -64.3 -40.4 23.7 78.7 28.6 60 60 A K H <>S+ 0 0 20 -4,-1.7 6,-1.4 1,-0.2 5,-0.7 0.653 109.9 51.5 -72.8 -15.5 26.2 81.3 27.2 61 61 A I H <5S+ 0 0 0 -4,-1.1 3,-0.4 -3,-0.5 -1,-0.2 0.790 112.9 45.5 -86.2 -32.4 28.1 78.5 25.5 62 62 A N H <5S+ 0 0 90 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.700 108.0 53.8 -85.5 -21.4 24.9 77.2 23.9 63 63 A D T <5S- 0 0 92 -4,-1.7 -1,-0.2 -5,-0.1 -3,-0.1 0.331 113.8-112.6 -94.7 9.4 23.5 80.6 22.7 64 64 A G T >5S+ 0 0 25 -3,-0.4 4,-1.8 -5,-0.1 5,-0.1 0.519 78.4 125.3 80.4 7.7 26.7 81.4 20.9 65 65 A Y T 4S+ 0 0 0 -6,-1.4 5,-1.7 2,-0.2 4,-0.5 0.885 121.9 48.0 -78.1 -42.1 31.5 82.7 23.6 67 67 A T T >45S+ 0 0 54 -7,-0.3 3,-1.0 1,-0.2 -2,-0.2 0.872 108.5 54.7 -68.5 -36.9 31.8 80.7 20.4 68 68 A G T 3<5S+ 0 0 29 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.716 104.2 57.1 -68.8 -18.6 30.9 83.6 18.2 69 69 A M T 3 5S- 0 0 0 -4,-0.4 326,-0.3 -3,-0.4 -1,-0.3 0.617 117.8-111.7 -85.8 -15.6 33.6 85.6 19.8 70 70 A G T < 5 + 0 0 14 -3,-1.0 -3,-0.2 -4,-0.5 2,-0.1 0.488 63.2 153.8 96.6 3.7 36.3 83.0 18.8 71 71 A V < + 0 0 6 -5,-1.7 -1,-0.3 1,-0.1 -54,-0.1 -0.444 17.9 174.8 -67.3 135.9 36.9 81.9 22.4 72 72 A T + 0 0 22 -56,-1.7 59,-2.6 1,-0.3 2,-0.3 0.347 62.8 33.6-125.2 2.9 38.2 78.3 22.6 73 73 A A E -ac 17 131A 0 -57,-1.2 -55,-2.3 57,-0.3 2,-0.4 -0.962 61.5-155.6-159.5 140.5 39.0 77.9 26.3 74 74 A I E -ac 18 132A 0 57,-2.7 59,-3.1 -2,-0.3 2,-0.5 -0.938 4.2-155.7-122.4 144.7 37.5 79.2 29.6 75 75 A W E -ac 19 133A 7 -57,-2.1 -55,-3.0 -2,-0.4 2,-0.2 -0.979 22.4-170.4-119.8 116.2 39.1 79.7 33.0 76 76 A I E -ac 20 134A 1 57,-2.4 59,-1.2 -2,-0.5 -55,-0.2 -0.640 29.1 -82.5-108.8 165.0 36.6 79.6 35.9 77 77 A S - 0 0 5 -57,-0.5 -1,-0.1 -2,-0.2 22,-0.1 -0.156 69.6 -70.0 -59.0 155.5 36.8 80.4 39.6 78 78 A Q - 0 0 0 20,-0.5 -1,-0.2 1,-0.2 58,-0.1 -0.267 46.2-153.0 -50.6 125.7 38.0 77.7 42.0 79 79 A P + 0 0 0 0, 0.0 30,-2.0 0, 0.0 -1,-0.2 0.683 58.0 104.9 -77.1 -21.3 35.3 75.0 41.9 80 80 A V E S-H 108 0C 0 28,-0.2 2,-0.3 1,-0.1 28,-0.3 -0.085 84.7 -81.9 -63.2 161.9 35.9 73.5 45.4 81 81 A E E -H 104 0C 14 23,-1.3 22,-2.8 26,-1.3 23,-1.6 -0.477 48.4-162.2 -69.5 123.9 33.7 74.2 48.4 82 82 A N E -H 102 0C 1 -2,-0.3 20,-0.2 20,-0.3 60,-0.1 -0.488 32.1 -75.4 -99.7 172.7 34.4 77.5 50.2 83 83 A I - 0 0 2 18,-2.0 13,-0.4 -2,-0.2 -1,-0.2 -0.252 29.4-148.9 -63.5 155.4 33.5 78.7 53.7 84 84 A Y + 0 0 121 11,-0.1 -1,-0.1 -3,-0.1 2,-0.1 0.504 60.3 114.1-103.8 -8.8 29.9 79.7 54.3 85 85 A S - 0 0 35 1,-0.1 2,-0.9 10,-0.0 11,-0.2 -0.335 65.5-133.6 -67.3 141.9 30.7 82.3 56.9 86 86 A I - 0 0 61 9,-0.1 2,-0.2 66,-0.1 9,-0.2 -0.852 26.6-150.6 -97.5 101.2 30.0 86.0 56.2 87 87 A I E -K 94 0D 4 7,-1.6 7,-2.0 -2,-0.9 2,-0.6 -0.534 2.0-149.2 -76.9 135.8 33.2 87.7 57.3 88 88 A N E -K 93 0D 81 -2,-0.2 2,-0.9 5,-0.2 5,-0.2 -0.908 11.6-173.8-110.8 110.9 32.9 91.3 58.5 89 89 A Y E > S-K 92 0D 74 3,-2.5 3,-1.0 -2,-0.6 -2,-0.0 -0.789 76.0 -39.2-104.5 89.4 35.9 93.5 57.9 90 90 A S T 3 S- 0 0 126 -2,-0.9 2,-0.4 1,-0.2 -1,-0.2 0.974 125.0 -35.5 58.3 60.9 35.2 96.8 59.7 91 91 A G T 3 S+ 0 0 60 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.132 117.3 102.3 91.6 -40.3 31.5 97.1 58.9 92 92 A V E < -K 89 0D 64 -3,-1.0 -3,-2.5 -2,-0.4 2,-0.2 -0.673 64.8-137.9 -85.8 129.2 31.6 95.6 55.4 93 93 A N E -K 88 0D 59 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.526 18.8-164.3 -82.4 151.4 30.4 92.0 54.9 94 94 A N E -K 87 0D 20 -7,-2.0 -7,-1.6 -2,-0.2 2,-0.3 -0.997 6.9-170.5-139.5 141.7 32.3 89.6 52.7 95 95 A T - 0 0 4 -48,-1.9 2,-0.5 -2,-0.3 3,-0.5 -0.805 38.8-107.7-124.5 167.6 31.5 86.2 51.1 96 96 A A > + 0 0 1 -13,-0.4 3,-1.1 -2,-0.3 5,-0.2 -0.189 69.6 133.3 -88.0 42.1 33.6 83.6 49.3 97 97 A Y T 3 + 0 0 5 -2,-0.5 -74,-0.4 -50,-0.3 -1,-0.2 0.812 69.3 57.6 -61.2 -30.5 31.9 84.6 46.0 98 98 A H T 3 S- 0 0 15 -3,-0.5 -20,-0.5 -51,-0.1 -1,-0.3 0.692 105.3-131.5 -74.3 -21.7 35.4 84.6 44.4 99 99 A G S < S+ 0 0 0 -3,-1.1 -19,-0.1 -22,-0.1 3,-0.1 0.581 73.6 114.9 83.1 11.1 36.1 81.0 45.4 100 100 A Y + 0 0 25 1,-0.2 2,-0.6 36,-0.1 40,-0.1 0.377 55.8 79.8 -95.1 4.8 39.5 81.5 47.0 101 101 A W - 0 0 28 -5,-0.2 -18,-2.0 -18,-0.1 41,-0.2 -0.617 69.5-173.2-112.1 72.0 38.5 80.5 50.5 102 102 A A E +H 82 0C 1 39,-0.6 -20,-0.3 -2,-0.6 3,-0.1 -0.241 26.4 168.4 -68.1 149.1 38.4 76.7 50.4 103 103 A R E S+ 0 0 30 -22,-2.8 55,-3.3 1,-0.2 2,-0.3 0.472 79.8 20.0-129.1 -24.0 37.2 74.5 53.2 104 104 A D E > -Hi 81 158C 0 -23,-1.6 -23,-1.3 53,-0.2 3,-1.0 -0.857 55.6-167.1-153.4 112.5 37.1 71.2 51.3 105 105 A F E 3 S+ 0 0 0 53,-0.6 54,-0.1 -2,-0.3 -25,-0.1 0.440 88.4 60.5 -80.8 1.1 39.0 70.5 48.0 106 106 A K E 3 S+ 0 0 41 52,-0.3 2,-0.3 -25,-0.1 -1,-0.2 0.332 101.0 59.8-108.7 5.6 37.0 67.3 47.3 107 107 A K E < S- 0 0 73 -3,-1.0 -26,-1.3 -26,-0.1 2,-0.2 -0.830 79.9-113.2-127.7 167.3 33.6 69.0 47.1 108 108 A T E -H 80 0C 18 -28,-0.3 -28,-0.2 -2,-0.3 -27,-0.2 -0.588 31.5-103.0 -99.6 161.8 32.0 71.7 45.0 109 109 A N >> - 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0 0 35 -7,-2.8 2,-0.3 1,-0.3 -6,-0.2 0.762 57.9 -54.1-103.3 -39.2 41.1 67.4 59.5 165 165 A G E -J 157 0C 14 -8,-1.1 -8,-2.4 9,-0.0 -1,-0.3 -0.909 40.0-124.6 169.7 162.9 41.9 70.4 61.6 166 166 A G - 0 0 14 2,-0.3 8,-0.2 -2,-0.3 9,-0.2 -0.701 34.4-107.7-119.0 174.0 41.5 74.1 62.3 167 167 A Y S > S+ 0 0 39 -13,-3.1 3,-0.7 -2,-0.2 2,-0.4 0.834 101.2 72.8 -72.2 -32.8 44.0 77.0 62.7 168 168 A T T 3 S+ 0 0 37 -14,-0.3 -2,-0.3 1,-0.3 3,-0.2 -0.707 111.1 8.3 -86.1 132.7 43.4 77.3 66.4 169 169 A N T 3 S+ 0 0 131 -2,-0.4 2,-2.1 1,-0.2 3,-0.3 0.900 79.0 176.9 65.6 42.5 44.9 74.5 68.5 170 170 A D < + 0 0 17 -3,-0.7 3,-0.4 1,-0.2 -1,-0.2 -0.509 16.5 153.1 -79.6 74.0 46.7 73.1 65.5 171 171 A T S S+ 0 0 122 -2,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.772 71.2 58.1 -73.9 -26.6 48.5 70.3 67.3 172 172 A Q S S- 0 0 88 -3,-0.3 -1,-0.2 -8,-0.1 -2,-0.1 0.671 106.5-131.9 -76.2 -18.6 48.7 68.3 64.1 173 173 A N + 0 0 88 -3,-0.4 -2,-0.1 -6,-0.1 31,-0.1 0.884 53.5 149.6 67.9 43.8 50.6 71.2 62.5 174 174 A L + 0 0 0 -8,-0.2 27,-3.2 26,-0.1 2,-0.2 0.823 64.0 42.6 -73.2 -31.2 48.6 71.4 59.3 175 175 A F B S-M 200 0F 1 25,-0.3 2,-0.3 -9,-0.2 25,-0.2 -0.581 88.1-101.5-112.8 173.7 49.2 75.1 59.0 176 176 A H - 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0 0 3 -56,-2.4 -57,-1.3 -2,-0.3 2,-0.5 -0.467 36.3-138.3 -62.7 111.1 45.5 80.1 57.0 199 199 A D E -L 140 0E 4 -2,-0.5 -23,-2.6 -23,-0.3 -59,-0.2 -0.626 14.7-133.0 -79.2 118.6 48.8 79.1 55.4 200 200 A L B -M 175 0F 1 -61,-2.0 2,-0.8 -2,-0.5 -25,-0.3 -0.406 8.2-133.6 -71.8 145.1 48.9 75.4 54.7 201 201 A N > - 0 0 11 -27,-3.2 3,-1.5 1,-0.1 6,-0.3 -0.854 18.7-174.9-102.2 101.0 52.1 73.4 55.6 202 202 A H T 3 S+ 0 0 6 -2,-0.8 -1,-0.1 1,-0.3 386,-0.1 0.465 78.7 73.2 -75.5 -0.8 53.0 71.3 52.7 203 203 A N T 3 S+ 0 0 29 -29,-0.1 2,-0.4 474,-0.1 -1,-0.3 0.597 78.5 93.0 -84.4 -12.8 55.8 69.7 54.7 204 204 A N S <> S- 0 0 25 -3,-1.5 4,-2.9 -30,-0.2 5,-0.2 -0.697 76.1-143.2 -81.7 126.8 53.0 67.8 56.6 205 205 A S H > S+ 0 0 54 -2,-0.4 4,-2.5 1,-0.2 5,-0.3 0.830 99.3 56.3 -61.0 -33.9 52.4 64.4 55.0 206 206 A T H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 113.2 40.4 -63.7 -44.9 48.6 64.7 55.6 207 207 A V H > S+ 0 0 1 -6,-0.3 4,-2.3 2,-0.2 5,-0.3 0.920 114.7 52.9 -68.8 -45.6 48.5 68.0 53.7 208 208 A D H X S+ 0 0 4 -4,-2.9 4,-1.4 -7,-0.2 -2,-0.2 0.946 115.7 38.3 -54.2 -55.4 50.9 66.8 51.0 209 209 A V H X S+ 0 0 49 -4,-2.5 4,-1.7 1,-0.2 5,-0.2 0.868 113.6 56.9 -66.3 -39.2 48.9 63.6 50.2 210 210 A Y H X S+ 0 0 7 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.922 108.6 44.9 -59.2 -48.5 45.5 65.3 50.6 211 211 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.821 112.8 51.5 -68.0 -32.2 46.2 68.0 48.0 212 212 A K H X S+ 0 0 19 -4,-1.4 4,-0.7 -5,-0.3 -1,-0.2 0.777 112.5 45.2 -76.8 -26.4 47.6 65.5 45.5 213 213 A D H X S+ 0 0 73 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.832 110.8 55.1 -82.0 -33.9 44.6 63.2 45.8 214 214 A A H >X S+ 0 0 0 -4,-2.1 4,-1.2 -5,-0.2 3,-0.8 0.928 106.3 49.2 -63.5 -47.4 42.2 66.1 45.6 215 215 A I H 3X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.823 104.5 60.2 -63.9 -30.8 43.7 67.4 42.3 216 216 A K H 3X S+ 0 0 70 -4,-0.7 4,-1.8 1,-0.2 -1,-0.3 0.803 98.8 59.2 -66.6 -27.9 43.5 63.8 40.8 217 217 A M H S+ 0 0 0 -4,-1.2 5,-1.4 1,-0.2 4,-0.3 0.801 109.4 56.8 -69.0 -29.4 39.3 67.0 39.2 219 219 A L H ><5S+ 0 0 7 -4,-1.6 3,-1.1 1,-0.2 -1,-0.2 0.891 106.6 50.1 -67.4 -37.8 41.6 65.5 36.6 220 220 A D H 3<5S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.726 100.6 63.7 -71.6 -22.2 39.3 62.5 36.4 221 221 A L T 3<5S- 0 0 33 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.547 122.7-105.8 -78.0 -7.2 36.3 64.8 36.0 222 222 A G T < 5 + 0 0 21 -3,-1.1 -90,-0.2 -4,-0.3 -3,-0.2 0.708 55.8 167.5 95.7 22.5 37.9 65.8 32.7 223 223 A I < - 0 0 2 -5,-1.4 -1,-0.2 1,-0.1 -90,-0.2 -0.303 25.6-153.2 -67.0 155.4 39.5 69.3 33.2 224 224 A D + 0 0 1 -92,-2.7 29,-0.9 1,-0.2 2,-0.3 0.615 68.3 6.6-104.2 -18.5 41.8 70.5 30.4 225 225 A G E -de 133 253A 0 -93,-1.4 -91,-1.6 27,-0.2 2,-0.4 -0.966 56.9-138.5-157.2 172.6 44.0 72.9 32.4 226 226 A I E -de 134 254A 0 27,-2.1 29,-2.3 -2,-0.3 2,-0.7 -0.988 3.2-156.8-143.2 129.0 44.9 74.3 35.8 227 227 A R E -de 135 255A 1 -93,-2.6 -91,-2.6 -2,-0.4 2,-0.5 -0.920 22.3-145.6-104.8 110.8 45.7 77.8 37.0 228 228 A M E > -de 136 256A 0 27,-2.2 29,-2.4 -2,-0.7 3,-0.5 -0.633 13.7-136.8 -78.9 124.9 47.8 77.6 40.1 229 229 A D T 3 S- 0 0 14 -93,-2.8 -90,-0.2 -2,-0.5 4,-0.1 -0.594 73.3 -7.9 -84.4 140.3 47.0 80.4 42.6 230 230 A A T > + 0 0 1 -2,-0.3 3,-1.8 1,-0.1 -1,-0.2 0.851 68.6 165.3 44.0 51.5 49.8 82.2 44.5 231 231 A V G X S+ 0 0 0 26,-0.9 3,-0.9 -3,-0.5 27,-0.2 0.685 70.9 69.1 -67.8 -16.1 52.6 79.9 43.3 232 232 A K G 3 S+ 0 0 46 25,-0.9 -1,-0.3 1,-0.2 26,-0.1 0.607 97.7 52.3 -75.4 -12.5 54.9 82.6 44.5 233 233 A H G < S+ 0 0 16 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.240 97.6 73.1-111.2 11.7 53.9 81.8 48.1 234 234 A M S < S- 0 0 0 -3,-0.9 -43,-0.1 -4,-0.1 -95,-0.1 -0.903 95.9 -85.1-123.8 154.3 54.5 78.0 48.2 235 235 A P > - 0 0 7 0, 0.0 4,-2.0 0, 0.0 5,-0.2 -0.346 31.8-144.8 -57.4 130.4 57.7 76.0 48.3 236 236 A F H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.873 99.1 57.8 -66.7 -34.3 59.0 75.6 44.8 237 237 A G H > S+ 0 0 10 402,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.913 107.8 45.7 -61.0 -43.5 60.3 72.2 45.6 238 238 A W H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 110.1 53.8 -66.7 -42.7 56.8 71.0 46.7 239 239 A Q H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.848 106.4 52.9 -62.0 -34.1 55.2 72.5 43.6 240 240 A K H X S+ 0 0 28 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.888 109.7 47.8 -68.0 -37.5 57.6 70.6 41.4 241 241 A S H X S+ 0 0 1 -4,-1.5 4,-1.1 1,-0.2 345,-0.3 0.775 111.9 52.6 -71.7 -25.5 56.7 67.4 43.2 242 242 A F H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.869 106.9 50.0 -75.8 -39.2 53.0 68.4 42.7 243 243 A M H X S+ 0 0 1 -4,-2.3 4,-2.9 33,-0.3 -2,-0.2 0.792 108.3 54.5 -69.5 -26.9 53.5 68.9 39.0 244 244 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.839 104.5 53.9 -73.3 -33.9 55.1 65.5 38.8 245 245 A A H < S+ 0 0 23 -4,-1.1 5,-0.2 2,-0.2 -2,-0.2 0.914 114.6 41.6 -64.9 -42.0 52.0 64.0 40.5 246 246 A V H >X S+ 0 0 1 -4,-1.7 4,-1.5 1,-0.2 3,-1.1 0.942 117.4 45.5 -69.5 -50.1 49.8 65.7 37.8 247 247 A N H 3< S+ 0 0 3 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.762 111.1 51.9 -68.5 -27.0 52.1 64.9 34.8 248 248 A N T 3< S+ 0 0 27 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.455 122.6 31.3 -88.5 0.2 52.7 61.2 35.8 249 249 A Y T <4 S- 0 0 94 -3,-1.1 -2,-0.2 -4,-0.2 -3,-0.2 0.681 139.2 -14.0-115.0 -75.2 49.0 60.7 36.1 250 250 A K S < S- 0 0 80 -4,-1.5 -2,-0.1 -5,-0.2 -3,-0.1 -0.803 72.3-140.9-138.1 92.8 47.0 62.8 33.6 251 251 A P + 0 0 22 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.264 28.0 169.2 -56.4 131.5 49.0 65.6 32.1 252 252 A V - 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