==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-MAR-03 1OT1 . 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) . 22966.0 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 . 46 6.7 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 . 62 9.0 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 . 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 . 3 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 2 5 5 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 . 5 2 3 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 0.000 360.0 360.0 360.0 149.4 41.7 63.4 16.2 2 2 A P > - 0 0 54 0, 0.0 3,-2.0 0, 0.0 6,-0.1 -0.291 360.0-107.4 -73.9 162.1 43.3 66.8 15.2 3 3 A D T 3 S+ 0 0 3 1,-0.3 11,-0.2 516,-0.2 8,-0.1 0.792 119.4 57.5 -57.7 -28.6 45.2 69.1 17.6 4 4 A T T 3 S+ 0 0 38 395,-0.1 -1,-0.3 9,-0.1 396,-0.0 0.489 79.8 122.6 -82.6 -5.4 42.2 71.5 17.4 5 5 A S S X S- 0 0 30 -3,-2.0 3,-1.8 1,-0.1 0, 0.0 -0.235 71.0-126.5 -60.2 145.9 39.7 68.9 18.6 6 6 A V T 3 S+ 0 0 24 1,-0.3 -1,-0.1 120,-0.1 -3,-0.0 0.738 108.9 68.2 -63.3 -20.9 37.6 69.7 21.8 7 7 A S T 3 S+ 0 0 62 1,-0.1 2,-1.6 124,-0.1 -1,-0.3 0.585 70.8 103.7 -75.8 -9.9 38.9 66.3 23.1 8 8 A N X + 0 0 1 -3,-1.8 3,-0.7 1,-0.2 -1,-0.1 -0.567 40.6 168.8 -78.0 88.7 42.5 67.6 23.3 9 9 A K T 3 S+ 0 0 54 -2,-1.6 244,-3.0 1,-0.2 -1,-0.2 0.594 70.2 59.4 -76.1 -11.4 42.7 68.2 27.1 10 10 A Q T 3 S+ 0 0 25 242,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.561 102.5 50.1 -95.1 -8.0 46.5 68.7 27.0 11 11 A N < + 0 0 0 -3,-0.7 -1,-0.2 -8,-0.1 3,-0.1 -0.966 42.0 162.3-140.2 116.9 46.6 71.7 24.6 12 12 A F > + 0 0 0 -2,-0.4 3,-1.6 1,-0.1 -1,-0.1 0.279 53.2 102.5-112.6 7.1 44.7 75.0 24.9 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 -9,-0.1 0.712 82.3 49.8 -66.2 -21.3 46.9 77.1 22.6 14 14 A T T 3 S+ 0 0 2 -11,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.393 105.3 81.9 -95.0 3.3 44.4 76.8 19.7 15 15 A D < - 0 0 1 -3,-1.6 2,-0.4 383,-0.1 56,-0.1 -0.567 67.3-142.5-105.5 167.0 41.6 77.8 22.0 16 16 A V - 0 0 1 -2,-0.2 56,-1.7 54,-0.2 57,-1.1 -0.990 23.5-146.4-128.7 119.4 40.2 81.1 23.4 17 17 A I E -ab 73 357A 0 339,-3.2 341,-3.3 -2,-0.4 2,-0.5 -0.642 4.0-151.5 -89.5 143.4 39.0 80.9 27.0 18 18 A Y E -ab 74 358A 0 55,-1.7 57,-1.8 -2,-0.3 2,-0.9 -0.973 18.6-136.3-113.3 118.5 36.0 82.9 28.4 19 19 A Q E -ab 75 359A 2 339,-3.4 341,-2.2 -2,-0.5 2,-0.7 -0.658 23.1-162.9 -78.0 105.0 36.5 83.6 32.2 20 20 A I E -a 76 0A 1 55,-2.4 2,-1.4 -2,-0.9 57,-0.6 -0.810 17.3-162.6 -98.9 115.7 33.1 82.9 33.7 21 21 A F > - 0 0 11 -2,-0.7 3,-2.1 1,-0.2 4,-0.4 -0.782 23.7-152.2 -90.2 91.3 32.4 84.2 37.2 22 22 A T G >> S+ 0 0 0 -2,-1.4 3,-1.2 1,-0.3 4,-0.7 0.746 84.1 51.2 -37.4 -52.3 29.5 81.8 37.7 23 23 A D G 34 S+ 0 0 2 74,-0.4 29,-2.1 1,-0.2 -1,-0.3 0.762 115.9 43.6 -64.4 -22.7 27.3 83.8 40.1 24 24 A R G <4 S+ 0 0 1 -3,-2.1 354,-2.2 27,-0.1 -1,-0.2 0.336 104.3 64.6-106.1 7.2 27.4 86.9 37.9 25 25 A F T <4 S- 0 0 5 -3,-1.2 2,-0.3 -4,-0.4 -2,-0.1 0.924 110.6 -21.4 -94.7 -70.5 26.9 85.3 34.4 26 26 A S < - 0 0 25 -4,-0.7 27,-2.2 27,-0.2 2,-1.3 -0.899 42.4-146.4-153.5 122.1 23.4 83.7 34.1 27 27 A D + 0 0 54 -2,-0.3 25,-0.2 25,-0.3 27,-0.1 -0.694 29.8 164.2 -84.2 92.1 20.9 82.4 36.6 28 28 A G + 0 0 23 -2,-1.3 -1,-0.2 1,-0.2 24,-0.1 0.612 69.8 39.6 -85.8 -13.4 19.4 79.5 34.7 29 29 A N > - 0 0 53 22,-0.4 3,-1.4 -3,-0.1 -1,-0.2 -0.781 57.8-177.7-140.0 93.2 17.7 77.9 37.7 30 30 A P G > S+ 0 0 88 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.761 79.3 74.2 -59.7 -24.5 16.1 80.3 40.2 31 31 A A G 3 S+ 0 0 89 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.773 94.2 48.7 -62.4 -29.5 15.2 77.3 42.4 32 32 A N G < S+ 0 0 30 -3,-1.4 -1,-0.3 79,-0.1 81,-0.1 0.363 83.3 125.4 -93.5 7.1 18.8 76.8 43.6 33 33 A N < - 0 0 26 -3,-1.5 6,-0.1 -4,-0.2 79,-0.0 -0.386 67.0-113.8 -66.8 138.2 19.3 80.4 44.5 34 34 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.272 38.1-137.8 -64.3 163.3 20.4 81.1 48.1 35 35 A T > + 0 0 121 4,-0.0 3,-1.4 5,-0.0 14,-0.1 -0.671 48.5 7.9-121.3 174.9 17.8 82.8 50.2 36 36 A G G > S- 0 0 62 1,-0.2 3,-1.8 -2,-0.2 0, 0.0 -0.227 122.3 -6.0 62.8-141.3 17.5 85.6 52.8 37 37 A A G 3 S+ 0 0 57 1,-0.3 -1,-0.2 3,-0.0 56,-0.0 0.572 129.1 65.0 -66.5 -10.4 20.4 87.8 53.7 38 38 A A G < S+ 0 0 12 -3,-1.4 11,-2.4 10,-0.1 2,-0.4 0.450 98.5 65.1 -91.8 0.2 22.7 85.8 51.5 39 39 A F B < +g 49 0B 54 -3,-1.8 2,-0.3 9,-0.2 11,-0.2 -0.957 44.5 174.9-133.5 143.9 20.9 86.7 48.3 40 40 A D > - 0 0 29 9,-2.6 3,-2.1 -2,-0.4 8,-0.1 -0.798 10.4-167.9-143.1 95.9 20.1 89.8 46.2 41 41 A G T 3 S+ 0 0 35 -2,-0.3 9,-0.1 1,-0.3 -1,-0.1 0.701 90.4 55.2 -57.9 -21.6 18.3 89.0 42.9 42 42 A T T 3 S- 0 0 92 3,-0.0 -1,-0.3 335,-0.0 335,-0.1 0.574 101.3-136.2 -87.9 -9.7 19.0 92.5 41.6 43 43 A a < + 0 0 13 -3,-2.1 334,-0.4 6,-0.2 3,-0.1 0.894 63.9 130.6 54.9 44.2 22.7 92.0 42.1 44 44 A T + 0 0 110 1,-0.2 2,-1.1 332,-0.1 -1,-0.1 0.830 63.2 61.1 -89.4 -41.2 23.1 95.5 43.6 45 45 A N S > S- 0 0 57 1,-0.1 3,-1.7 4,-0.1 -1,-0.2 -0.769 75.3-164.6 -87.5 100.7 25.0 94.2 46.6 46 46 A L T 3 S+ 0 0 23 -2,-1.1 -1,-0.1 1,-0.3 4,-0.1 0.399 80.6 63.8 -70.5 3.7 28.0 92.7 44.9 47 47 A R T 3 S+ 0 0 87 46,-0.1 48,-2.0 2,-0.1 50,-0.3 0.370 94.1 70.3-106.9 1.9 29.0 90.7 48.0 48 48 A L S < S- 0 0 14 -3,-1.7 -9,-0.2 46,-0.2 2,-0.2 -0.680 98.2 -81.7-111.5 168.2 25.9 88.5 48.1 49 49 A Y B -g 39 0B 14 -11,-2.4 -9,-2.6 -2,-0.2 -6,-0.2 -0.501 34.7-172.8 -69.7 138.4 24.8 85.7 45.8 50 50 A a - 0 0 0 -2,-0.2 -1,-0.1 -11,-0.2 -23,-0.1 0.560 48.1-104.5-107.1 -16.0 23.0 87.0 42.6 51 51 A G + 0 0 2 1,-0.3 -22,-0.4 -19,-0.1 -23,-0.2 0.306 61.9 153.2 112.9 -10.6 21.9 83.6 41.3 52 52 A G + 0 0 3 -29,-2.1 -25,-0.3 -25,-0.2 -1,-0.3 -0.281 21.9 161.6 -55.8 133.7 24.3 82.8 38.5 53 53 A D > - 0 0 0 -27,-2.2 4,-1.4 -30,-0.1 -27,-0.2 -0.801 53.2 -88.6-144.9-176.5 24.6 79.0 38.0 54 54 A W H > S+ 0 0 0 58,-2.5 4,-2.5 -2,-0.2 5,-0.2 0.816 119.2 59.8 -71.1 -31.3 25.6 76.1 35.7 55 55 A Q H > S+ 0 0 55 57,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.911 104.4 53.2 -62.1 -38.3 22.2 75.9 34.1 56 56 A G H > S+ 0 0 0 -30,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.918 107.7 48.8 -61.0 -44.6 22.7 79.5 33.0 57 57 A I H X S+ 0 0 0 -4,-1.4 4,-1.5 -31,-0.3 -1,-0.2 0.916 109.6 52.7 -61.8 -42.4 26.1 78.6 31.5 58 58 A I H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 3,-0.3 0.921 109.1 50.5 -58.6 -43.3 24.4 75.7 29.7 59 59 A N H X S+ 0 0 62 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.901 110.2 48.1 -62.1 -42.5 21.8 78.0 28.3 60 60 A K H <>S+ 0 0 21 -4,-2.2 6,-1.3 2,-0.2 5,-0.8 0.713 112.0 50.9 -73.0 -20.1 24.3 80.5 27.0 61 61 A I H ><5S+ 0 0 0 -4,-1.5 3,-0.7 -3,-0.3 6,-0.3 0.884 114.5 43.8 -78.3 -43.0 26.2 77.7 25.4 62 62 A N H 3<5S+ 0 0 84 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.782 110.2 53.0 -74.9 -28.9 23.1 76.4 23.7 63 63 A D T 3<5S- 0 0 94 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 0.378 113.0-112.5 -90.9 7.1 21.7 79.8 22.5 64 64 A G T <>5S+ 0 0 23 -3,-0.7 4,-2.2 -5,-0.1 5,-0.2 0.497 77.1 126.7 84.0 5.7 25.0 80.7 20.8 65 65 A Y T 4>>S+ 0 0 0 -6,-1.3 5,-2.0 2,-0.2 3,-1.1 0.938 121.9 48.0 -74.2 -49.0 29.7 82.0 23.4 67 67 A T G >45S+ 0 0 55 -7,-0.3 3,-1.3 -6,-0.3 -2,-0.2 0.878 107.0 57.9 -61.4 -36.6 29.9 80.0 20.1 68 68 A G G 3<5S+ 0 0 30 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.749 106.2 51.4 -64.6 -21.0 28.9 83.0 18.1 69 69 A M G <45S- 0 0 0 -3,-1.1 326,-0.3 -4,-0.5 -1,-0.3 0.545 118.4-111.2 -91.2 -11.2 31.9 84.8 19.6 70 70 A G T <<5 + 0 0 14 -3,-1.3 2,-0.3 -4,-0.6 -3,-0.2 0.612 61.8 157.5 88.6 11.5 34.4 82.0 18.7 71 71 A V < + 0 0 4 -5,-2.0 -1,-0.3 1,-0.1 -54,-0.1 -0.557 16.1 174.9 -71.0 131.0 34.9 81.0 22.3 72 72 A T + 0 0 25 -56,-1.7 59,-2.3 -2,-0.3 2,-0.3 0.259 62.1 28.9-122.0 9.2 36.1 77.4 22.5 73 73 A A E -ac 17 131A 0 -57,-1.1 -55,-1.7 57,-0.3 2,-0.3 -0.975 58.0-166.9-163.9 153.5 36.7 77.1 26.2 74 74 A I E -ac 18 132A 0 57,-2.0 59,-2.9 -2,-0.3 2,-0.4 -0.966 9.1-152.1-140.2 154.1 35.5 78.4 29.5 75 75 A W E -ac 19 133A 9 -57,-1.8 -55,-2.4 -2,-0.3 2,-0.3 -0.958 19.4-158.4-123.5 150.1 36.7 78.4 33.1 76 76 A I E -ac 20 134A 0 57,-1.8 59,-1.6 -2,-0.4 -55,-0.2 -0.862 28.8 -82.6-127.2 161.7 34.3 78.6 36.0 77 77 A S S S- 0 0 8 -57,-0.6 22,-0.1 -2,-0.3 58,-0.1 -0.203 74.8 -69.2 -55.1 151.9 34.3 79.6 39.7 78 78 A Q - 0 0 0 20,-0.4 -1,-0.2 1,-0.2 58,-0.1 -0.223 48.5-150.7 -47.3 125.1 35.5 76.7 42.0 79 79 A P + 0 0 0 0, 0.0 30,-1.9 0, 0.0 -1,-0.2 0.608 57.9 107.8 -77.5 -13.3 32.7 74.2 41.8 80 80 A V E S-H 108 0C 0 28,-0.3 28,-0.3 19,-0.2 25,-0.2 -0.222 83.4 -83.3 -71.7 156.5 33.2 72.7 45.2 81 81 A E E -H 104 0C 15 26,-1.5 22,-2.7 23,-1.2 23,-1.6 -0.339 49.0-162.1 -60.3 128.8 30.8 73.2 48.2 82 82 A N E -H 102 0C 1 20,-0.3 20,-0.2 21,-0.2 60,-0.1 -0.601 31.0 -79.3-105.5 170.3 31.5 76.4 50.0 83 83 A I - 0 0 2 18,-2.1 13,-0.3 -2,-0.2 -1,-0.2 -0.268 30.1-142.5 -64.8 158.6 30.5 77.6 53.5 84 84 A Y + 0 0 114 11,-0.1 -1,-0.1 -3,-0.1 68,-0.0 0.397 57.6 126.3-104.1 0.4 27.0 78.8 53.9 85 85 A S - 0 0 25 1,-0.1 2,-0.7 10,-0.1 11,-0.3 -0.185 55.7-143.5 -61.8 147.2 27.8 81.6 56.3 86 86 A I - 0 0 65 9,-0.1 2,-0.4 66,-0.1 9,-0.2 -0.930 28.0-156.0-110.4 99.8 26.9 85.2 55.8 87 87 A I E -I 94 0D 6 7,-2.4 7,-2.7 -2,-0.7 2,-0.8 -0.662 8.6-145.3 -87.1 131.3 30.0 86.9 57.3 88 88 A N E -I 93 0D 92 -2,-0.4 2,-1.0 5,-0.2 5,-0.2 -0.829 14.1-173.5 -96.0 106.4 29.8 90.5 58.6 89 89 A Y S S- 0 0 75 3,-2.8 3,-0.4 -2,-0.8 -2,-0.0 -0.770 75.2 -38.1-101.5 88.1 33.1 92.3 57.9 90 90 A S S S- 0 0 124 -2,-1.0 -1,-0.2 1,-0.2 3,-0.1 0.990 126.9 -33.1 59.4 65.9 32.6 95.6 59.7 91 91 A G S S+ 0 0 68 -3,-0.1 2,-0.5 1,-0.1 -1,-0.2 0.375 119.1 103.5 77.1 -5.2 28.9 96.2 58.9 92 92 A V - 0 0 56 -3,-0.4 -3,-2.8 -45,-0.0 2,-0.3 -0.944 65.7-134.7-117.4 125.5 29.0 94.6 55.5 93 93 A N E -I 88 0D 62 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.570 24.1-172.0 -77.7 135.1 27.6 91.1 54.8 94 94 A N E -I 87 0D 25 -7,-2.7 -7,-2.4 -2,-0.3 2,-0.2 -0.970 3.8-172.5-128.5 140.9 29.7 88.8 52.7 95 95 A T - 0 0 1 -48,-2.0 3,-0.4 -2,-0.4 -9,-0.1 -0.736 39.7-104.5-124.0 175.4 28.9 85.4 51.2 96 96 A A S > S+ 0 0 2 -13,-0.3 3,-2.5 -11,-0.3 5,-0.2 -0.032 71.1 131.1 -90.1 30.5 30.9 82.7 49.3 97 97 A Y T 3 + 0 0 5 -50,-0.3 -74,-0.4 1,-0.3 -1,-0.2 0.787 68.5 60.4 -52.9 -28.9 29.4 83.7 46.0 98 98 A H T 3 S- 0 0 16 -3,-0.4 -20,-0.4 -51,-0.1 -1,-0.3 0.593 105.2-130.3 -77.2 -13.1 32.9 83.7 44.6 99 99 A G S < S+ 0 0 0 -3,-2.5 -19,-0.2 -22,-0.1 -2,-0.1 0.475 75.6 113.5 78.5 4.2 33.4 80.1 45.4 100 100 A Y + 0 0 27 1,-0.2 2,-0.7 36,-0.1 40,-0.1 0.400 54.7 79.7 -90.1 2.5 36.8 80.5 47.2 101 101 A W S S- 0 0 24 -5,-0.2 -18,-2.1 -18,-0.1 41,-0.2 -0.628 70.3-173.6-109.6 73.3 35.6 79.5 50.7 102 102 A A E +H 82 0C 0 39,-0.8 -20,-0.3 -2,-0.7 3,-0.1 -0.276 27.4 165.4 -70.2 149.1 35.6 75.7 50.4 103 103 A R E S+ 0 0 35 -22,-2.7 55,-3.5 1,-0.2 2,-0.3 0.445 78.6 24.4-131.9 -21.3 34.3 73.2 53.0 104 104 A D E > -H 81 0C 0 -23,-1.6 3,-1.4 53,-0.2 -23,-1.2 -0.789 54.5-171.0-152.0 103.5 34.0 70.0 50.9 105 105 A F E 3 S+ 0 0 0 53,-0.5 54,-0.1 -2,-0.3 -1,-0.1 0.482 88.1 59.6 -73.1 -1.6 36.1 69.5 47.8 106 106 A K E 3 S+ 0 0 44 52,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.318 101.2 58.8-108.8 7.4 34.1 66.3 47.0 107 107 A K E < S- 0 0 69 -3,-1.4 -26,-1.5 -26,-0.1 2,-0.2 -0.861 82.0-110.5-128.8 165.0 30.7 68.0 46.7 108 108 A T E -H 80 0C 17 -28,-0.3 -28,-0.3 -2,-0.3 -27,-0.1 -0.508 32.0-104.7 -92.4 162.9 29.3 70.8 44.5 109 109 A N >> - 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0 0 34 -7,-3.0 2,-0.3 1,-0.4 -6,-0.2 0.794 56.5 -66.8 -97.5 -40.4 37.6 66.0 59.2 165 165 A G E -K 157 0F 13 -8,-1.2 -8,-2.6 9,-0.0 -1,-0.4 -0.913 39.9-120.2 165.1 169.3 38.3 69.0 61.5 166 166 A G - 0 0 10 2,-0.4 8,-0.2 -2,-0.3 -11,-0.2 -0.687 37.3 -97.6-125.5-179.7 38.2 72.7 62.0 167 167 A Y S > S+ 0 0 14 -13,-2.9 3,-0.7 -2,-0.2 2,-0.3 0.806 104.9 70.4 -71.0 -30.4 40.6 75.6 62.7 168 168 A T T 3 S+ 0 0 37 -14,-0.3 -2,-0.4 1,-0.2 3,-0.1 -0.690 111.4 9.0 -88.1 142.3 39.8 75.5 66.5 169 169 A N T 3 S+ 0 0 137 -2,-0.3 2,-1.9 1,-0.2 -1,-0.2 0.891 80.3 171.5 56.2 42.2 41.1 72.5 68.5 170 170 A D X + 0 0 17 -3,-0.7 3,-1.1 1,-0.2 -1,-0.2 -0.497 11.5 155.6 -84.8 70.6 43.1 71.4 65.4 171 171 A T T 3 S+ 0 0 109 -2,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.763 70.9 58.1 -67.8 -26.7 45.1 68.6 67.1 172 172 A Q T 3 S- 0 0 88 -3,-0.2 -1,-0.3 32,-0.0 -2,-0.1 0.590 105.5-129.8 -77.9 -11.4 45.6 66.8 63.8 173 173 A N < + 0 0 89 -3,-1.1 -2,-0.1 1,-0.1 31,-0.1 0.953 51.5 155.9 58.2 51.0 47.3 69.9 62.4 174 174 A L + 0 0 0 -8,-0.2 27,-2.9 26,-0.1 2,-0.2 0.723 66.6 36.7 -75.4 -21.7 45.1 69.9 59.3 175 175 A F B S-L 200 0G 2 25,-0.3 2,-0.3 -9,-0.2 25,-0.2 -0.764 89.5-101.9-125.6 171.2 45.9 73.6 59.1 176 176 A H - 0 0 14 23,-2.4 23,-0.4 -2,-0.2 3,-0.1 -0.720 20.8-167.8 -92.6 144.0 48.7 76.1 59.7 177 177 A H + 0 0 74 -2,-0.3 3,-0.1 1,-0.1 15,-0.1 -0.451 52.0 112.1-129.5 58.1 48.6 78.2 62.9 178 178 A N S S- 0 0 59 1,-0.5 -1,-0.1 13,-0.2 2,-0.1 0.057 79.2-109.8-118.0 21.9 51.3 80.7 62.1 179 179 A G - 0 0 42 -3,-0.1 14,-2.7 13,-0.1 -1,-0.5 -0.352 55.5 -42.5 80.9-166.4 49.2 83.9 61.8 180 180 A G B -m 193 0H 45 12,-0.2 14,-0.2 -3,-0.1 2,-0.1 -0.734 59.4-109.1-101.9 151.6 48.5 85.7 58.6 181 181 A T - 0 0 18 12,-3.0 14,-0.2 -2,-0.3 8,-0.1 -0.418 15.1-164.1 -75.5 152.2 51.0 86.5 55.9 182 182 A D - 0 0 104 3,-0.1 -1,-0.1 -2,-0.1 7,-0.1 0.198 43.0-120.4-114.7 9.2 52.3 90.0 55.3 183 183 A F S S+ 0 0 127 2,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.643 73.4 132.8 62.3 17.0 53.6 89.0 51.8 184 184 A S S S+ 0 0 74 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.844 74.0 9.4 -66.9 -35.1 57.1 90.0 52.9 185 185 A T S > S- 0 0 74 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.959 74.2-114.0-142.1 160.4 58.7 86.8 51.6 186 186 A T H > S+ 0 0 22 -2,-0.3 4,-1.1 1,-0.2 5,-0.1 0.936 119.7 49.6 -59.2 -46.7 57.7 83.8 49.5 187 187 A E H >> S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 3,-0.6 0.908 108.9 52.9 -57.8 -44.2 58.0 81.5 52.5 188 188 A N H 3> S+ 0 0 16 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.902 109.6 48.8 -58.7 -42.9 56.0 83.9 54.7 189 189 A G H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.675 113.1 48.5 -72.8 -17.3 53.2 83.8 52.1 190 190 A I H << S+ 0 0 1 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.906 115.8 35.6 -88.5 -47.2 53.2 80.0 51.9 191 191 A Y H < S+ 0 0 2 -4,-2.3 2,-0.3 -5,-0.1 -13,-0.2 0.273 110.7 65.4 -96.6 12.4 53.1 78.9 55.5 192 192 A K S < S- 0 0 55 -4,-0.6 -12,-0.2 -5,-0.2 -13,-0.1 -0.871 93.6 -84.7-126.1 161.8 50.9 81.7 56.9 193 193 A N B -m 180 0H 11 -14,-2.7 -12,-3.0 -2,-0.3 2,-0.6 -0.326 27.8-128.7 -70.9 146.3 47.2 82.4 56.2 194 194 A L S > S- 0 0 13 3,-0.4 3,-2.6 -14,-0.2 -1,-0.1 -0.843 81.1 -39.5 -87.5 124.4 45.9 84.5 53.3 195 195 A Y T 3 S- 0 0 182 -2,-0.6 -14,-0.1 1,-0.3 -2,-0.1 -0.339 119.9 -38.0 54.5-130.6 43.6 87.0 54.9 196 196 A D T 3 S+ 0 0 44 -16,-0.1 -52,-2.3 2,-0.1 2,-0.3 0.122 101.6 134.4-109.1 17.5 41.8 85.1 57.6 197 197 A L E < -J 143 0E 8 -3,-2.6 2,-0.5 -54,-0.2 -3,-0.4 -0.535 66.2-111.4 -74.4 127.9 41.5 81.9 55.5 198 198 A A E - 0 0 0 -56,-2.4 -57,-1.6 -2,-0.3 2,-0.4 -0.431 35.1-135.6 -61.2 109.7 42.4 78.7 57.3 199 199 A D E -J 140 0E 1 -2,-0.5 -23,-2.4 -23,-0.4 -59,-0.3 -0.549 14.7-129.5 -74.9 121.4 45.6 77.6 55.6 200 200 A L B -L 175 0G 0 -61,-2.2 2,-0.9 -2,-0.4 -25,-0.3 -0.452 11.3-134.4 -72.0 141.0 45.7 73.9 54.7 201 201 A N > - 0 0 15 -27,-2.9 3,-1.9 -2,-0.1 6,-0.3 -0.815 18.8-174.2 -98.5 97.3 48.7 71.9 55.8 202 202 A H T 3 S+ 0 0 5 -2,-0.9 -1,-0.1 1,-0.3 386,-0.1 0.553 80.1 70.1 -70.9 -5.5 49.8 69.8 52.8 203 203 A N T 3 S+ 0 0 28 474,-0.1 2,-0.6 4,-0.1 -1,-0.3 0.578 78.5 94.5 -84.2 -10.6 52.4 68.1 54.9 204 204 A N S <> S- 0 0 22 -3,-1.9 4,-2.7 1,-0.1 5,-0.2 -0.733 76.7-142.5 -81.3 121.4 49.5 66.4 56.8 205 205 A S H > S+ 0 0 51 -2,-0.6 4,-2.8 1,-0.2 5,-0.3 0.841 98.7 54.2 -54.4 -39.0 48.9 63.0 55.1 206 206 A T H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.947 112.0 44.0 -61.2 -48.3 45.2 63.2 55.4 207 207 A V H > S+ 0 0 0 -6,-0.3 4,-2.6 2,-0.2 5,-0.3 0.924 114.8 49.9 -61.7 -46.8 45.1 66.6 53.7 208 208 A D H X S+ 0 0 2 -4,-2.7 4,-1.8 -7,-0.2 -2,-0.2 0.954 116.3 39.5 -57.4 -55.6 47.5 65.5 51.0 209 209 A V H X S+ 0 0 57 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.897 114.9 54.9 -63.7 -40.7 45.7 62.2 50.2 210 210 A Y H X S+ 0 0 9 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.937 109.1 45.0 -58.5 -51.5 42.3 64.0 50.5 211 211 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.864 113.4 50.1 -64.2 -36.8 43.0 66.7 48.0 212 212 A K H X S+ 0 0 18 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.864 112.3 47.6 -70.8 -34.1 44.6 64.4 45.5 213 213 A D H X S+ 0 0 68 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.865 110.8 54.1 -71.0 -35.2 41.5 62.1 45.7 214 214 A A H >X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-0.7 0.952 106.3 48.7 -64.4 -50.4 39.3 65.1 45.3 215 215 A I H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.854 106.8 58.0 -60.6 -33.4 40.9 66.4 42.1 216 216 A K H 3X S+ 0 0 68 -4,-1.3 4,-2.3 1,-0.2 -1,-0.3 0.845 100.4 57.3 -66.0 -30.8 40.6 62.9 40.7 217 217 A M H S+ 0 0 0 -4,-1.5 5,-1.4 2,-0.2 3,-0.4 0.878 110.5 54.8 -67.9 -37.1 36.6 66.1 39.1 219 219 A L H ><5S+ 0 0 8 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.906 106.4 52.5 -61.3 -40.0 38.9 64.5 36.5 220 220 A D H 3<5S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.754 99.6 63.5 -67.3 -23.8 36.5 61.6 36.4 221 221 A L T 3<5S- 0 0 29 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.512 122.7-104.4 -78.5 -4.4 33.6 64.0 35.7 222 222 A G T < 5 + 0 0 18 -3,-1.5 -90,-0.2 -4,-0.3 -3,-0.2 0.642 56.7 167.5 95.8 15.1 35.3 65.0 32.5 223 223 A I < - 0 0 1 -5,-1.4 -1,-0.2 1,-0.1 -90,-0.2 -0.237 26.2-151.8 -59.5 153.9 36.9 68.4 33.1 224 224 A D + 0 0 0 -92,-3.0 29,-0.9 1,-0.2 2,-0.3 0.511 68.3 0.2-106.5 -9.2 39.4 69.5 30.4 225 225 A G E -de 133 253A 0 -93,-1.1 -91,-1.8 27,-0.2 2,-0.4 -0.986 59.6-129.8-169.1 168.9 41.6 71.7 32.5 226 226 A I E -de 134 254A 0 27,-2.4 29,-2.1 -2,-0.3 2,-0.8 -0.996 2.9-156.2-136.3 132.1 42.4 73.1 36.0 227 227 A R E -de 135 255A 5 -93,-2.7 -91,-2.4 -2,-0.4 2,-0.5 -0.905 21.0-151.5-106.2 102.6 43.1 76.7 37.2 228 228 A M E -de 136 256A 0 27,-2.3 29,-2.7 -2,-0.8 3,-0.5 -0.668 13.5-141.6 -78.6 122.7 45.1 76.3 40.4 229 229 A D + 0 0 15 -93,-2.3 -90,-0.2 -2,-0.5 4,-0.1 -0.541 69.7 1.0 -86.5 144.9 44.4 79.3 42.7 230 230 A A > + 0 0 2 -2,-0.2 3,-1.6 1,-0.1 -1,-0.2 0.847 69.4 163.7 50.5 46.7 47.0 81.0 44.9 231 231 A V G > + 0 0 0 26,-1.0 3,-1.0 -3,-0.5 27,-0.2 0.709 68.9 64.9 -70.3 -19.3 49.9 78.8 43.8 232 232 A K G 3 S+ 0 0 56 25,-0.7 -1,-0.3 1,-0.2 4,-0.1 0.601 101.6 55.0 -75.7 -6.9 52.5 81.3 45.1 233 233 A H G < S+ 0 0 26 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.2 0.251 96.5 69.4-111.7 11.8 51.0 80.4 48.5 234 234 A M S < S- 0 0 0 -3,-1.0 -43,-0.1 -43,-0.1 2,-0.1 -0.909 99.6 -83.1-124.3 153.8 51.4 76.6 48.6 235 235 A P > - 0 0 5 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.364 34.6-143.2 -57.9 127.8 54.6 74.6 48.8 236 236 A F H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.893 99.4 52.8 -61.9 -38.9 56.0 74.4 45.3 237 237 A G H > S+ 0 0 10 402,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.896 108.6 48.9 -63.5 -41.7 57.2 70.8 45.9 238 238 A W H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 109.6 53.1 -64.1 -41.2 53.8 69.7 47.1 239 239 A Q H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.862 105.7 53.6 -63.0 -35.4 52.2 71.3 44.1 240 240 A K H X S+ 0 0 29 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.914 109.0 48.7 -64.7 -40.2 54.6 69.3 41.8 241 241 A S H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 345,-0.2 0.810 110.2 53.2 -68.7 -27.6 53.6 66.1 43.5 242 242 A F H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.924 108.7 47.5 -70.2 -46.4 50.0 67.2 42.9 243 243 A M H X S+ 0 0 1 -4,-2.6 4,-3.0 33,-0.3 -2,-0.2 0.825 110.2 54.3 -64.3 -29.9 50.6 67.8 39.2 244 244 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.897 106.3 51.1 -69.3 -40.1 52.2 64.4 39.2 245 245 A A H < S+ 0 0 26 -4,-1.7 5,-0.2 2,-0.2 -2,-0.2 0.915 114.8 44.2 -61.8 -43.2 49.1 62.8 40.7 246 246 A V H >X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 3,-1.5 0.968 117.5 42.7 -64.9 -55.1 47.0 64.5 38.0 247 247 A N H 3< S+ 0 0 4 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.811 110.8 54.8 -64.8 -32.8 49.3 63.7 35.1 248 248 A N T 3< S+ 0 0 25 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.405 123.0 29.1 -82.4 4.2 50.0 60.1 36.2 249 249 A Y T <4 S- 0 0 99 -3,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.570 141.3 -16.7-120.1 -78.6 46.2 59.5 36.2 250 250 A K S < S- 0 0 91 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.1 -0.807 71.3-146.0-136.6 92.1 44.3 61.7 33.7 251 251 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 -242,-0.1 -0.359 24.3 170.4 -64.2 132.1 46.5 64.7 32.5 252 252 A V - 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