==== 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 23-MAY-03 1PEZ . 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) . 22866.0 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 . 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 . 8 1.2 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 . 104 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 3 0 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 . 7 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 . 2 3 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 56 0, 0.0 544,-0.1 0, 0.0 546,-0.0 0.000 360.0 360.0 360.0 155.0 42.1 63.6 16.0 2 2 A P > - 0 0 53 0, 0.0 3,-1.8 0, 0.0 6,-0.1 -0.287 360.0-109.0 -74.0 160.6 43.7 66.9 14.9 3 3 A D T 3 S+ 0 0 3 1,-0.3 11,-0.2 516,-0.2 8,-0.1 0.838 119.4 56.8 -57.4 -32.7 45.6 69.2 17.3 4 4 A T T 3 S+ 0 0 38 395,-0.1 -1,-0.3 9,-0.1 396,-0.0 0.517 80.1 123.9 -78.3 -7.5 42.7 71.7 17.1 5 5 A S X - 0 0 28 -3,-1.8 3,-1.4 1,-0.1 124,-0.0 -0.165 69.1-127.9 -55.4 147.5 40.1 69.1 18.3 6 6 A S T 3 S+ 0 0 19 1,-0.3 -1,-0.1 120,-0.1 122,-0.0 0.590 106.8 67.0 -73.4 -8.6 38.1 70.0 21.4 7 7 A S T 3 S+ 0 0 76 124,-0.1 2,-1.2 1,-0.1 -1,-0.3 0.451 71.4 108.0 -90.6 0.2 39.1 66.7 22.9 8 8 A N X + 0 0 3 -3,-1.4 3,-0.5 1,-0.2 123,-0.1 -0.663 39.3 171.6 -81.7 96.7 42.8 67.8 23.2 9 9 A K T 3 S+ 0 0 50 -2,-1.2 244,-3.0 1,-0.2 -1,-0.2 0.559 71.2 59.2 -82.4 -9.5 43.3 68.4 26.9 10 10 A Q T 3 S+ 0 0 23 242,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.549 102.4 50.6 -96.4 -8.8 47.0 68.9 26.6 11 11 A N < + 0 0 0 -3,-0.5 -1,-0.2 -8,-0.1 3,-0.1 -0.957 40.8 160.5-139.1 116.9 47.1 71.9 24.3 12 12 A F > + 0 0 0 -2,-0.4 3,-1.5 1,-0.1 5,-0.1 0.296 53.4 101.6-113.9 8.1 45.2 75.2 24.6 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 -9,-0.1 0.716 84.3 49.3 -66.1 -20.3 47.4 77.3 22.2 14 14 A T T 3 S+ 0 0 1 -11,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.405 105.7 80.9 -96.4 1.3 44.8 77.0 19.4 15 15 A D < - 0 0 1 -3,-1.5 2,-0.4 383,-0.1 56,-0.1 -0.543 68.3-141.3-104.3 169.1 42.0 78.0 21.8 16 16 A V - 0 0 1 -2,-0.2 56,-1.7 54,-0.2 57,-1.1 -0.973 23.4-144.5-130.7 113.7 40.7 81.2 23.2 17 17 A I E -ab 73 357A 0 339,-2.9 341,-3.1 -2,-0.4 2,-0.6 -0.611 5.2-155.9 -84.2 137.8 39.6 81.0 26.9 18 18 A Y E -ab 74 358A 0 55,-2.4 57,-2.3 -2,-0.3 2,-0.6 -0.963 15.9-143.8-111.9 114.4 36.6 82.9 28.2 19 19 A Q E -ab 75 359A 6 339,-2.8 341,-2.8 -2,-0.6 2,-0.5 -0.719 18.3-165.1 -85.4 119.4 37.0 83.5 31.9 20 20 A I E -a 76 0A 1 55,-3.3 2,-1.4 -2,-0.6 57,-0.7 -0.897 23.4-154.1-111.9 124.6 33.7 83.3 33.7 21 21 A F >> - 0 0 2 -2,-0.5 3,-2.6 1,-0.2 4,-0.5 -0.786 27.0-150.8 -88.4 91.6 32.9 84.5 37.2 22 22 A T H >> S+ 0 0 0 -2,-1.4 3,-1.2 1,-0.3 4,-0.7 0.767 87.9 51.3 -33.6 -50.9 30.1 82.0 37.5 23 23 A D H 34 S+ 0 0 2 74,-0.5 29,-2.4 1,-0.2 -1,-0.3 0.752 114.0 44.0 -65.1 -24.4 28.0 84.0 39.9 24 24 A R H <4 S+ 0 0 0 -3,-2.6 354,-2.1 27,-0.1 -1,-0.2 0.296 104.6 64.6-106.0 9.7 28.1 87.1 37.8 25 25 A F H << S- 0 0 4 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.1 0.904 110.0 -21.3 -96.1 -73.4 27.5 85.6 34.3 26 26 A S < - 0 0 25 -4,-0.7 27,-2.3 27,-0.3 2,-1.2 -0.929 43.3-145.1-150.7 124.7 24.0 84.0 34.1 27 27 A D + 0 0 53 -2,-0.3 25,-0.2 25,-0.3 27,-0.1 -0.719 30.5 162.9 -86.0 95.1 21.5 82.8 36.6 28 28 A G + 0 0 23 -2,-1.2 -1,-0.2 1,-0.2 24,-0.1 0.556 68.9 39.7 -91.1 -9.5 19.9 79.9 34.8 29 29 A N > - 0 0 51 22,-0.4 3,-1.2 -3,-0.1 -1,-0.2 -0.754 57.6-177.2-144.4 93.7 18.4 78.3 37.8 30 30 A P G > S+ 0 0 90 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.733 78.7 74.0 -60.0 -24.8 16.8 80.6 40.4 31 31 A A G 3 S+ 0 0 90 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.813 94.5 48.4 -62.4 -33.2 16.0 77.6 42.6 32 32 A N G < S+ 0 0 32 -3,-1.2 -1,-0.3 79,-0.1 81,-0.1 0.357 84.3 125.9 -90.9 7.8 19.6 77.1 43.7 33 33 A N < - 0 0 24 -3,-1.4 6,-0.1 -4,-0.2 78,-0.0 -0.418 66.1-113.7 -68.6 133.9 20.1 80.8 44.6 34 34 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.153 38.1-137.9 -59.0 165.9 21.3 81.6 48.1 35 35 A T > + 0 0 120 4,-0.1 3,-1.5 5,-0.0 14,-0.1 -0.725 48.1 6.1-125.8 174.3 18.8 83.4 50.3 36 36 A G G > S- 0 0 63 1,-0.2 3,-1.9 -2,-0.2 0, 0.0 -0.193 123.7 -6.7 59.0-143.5 18.5 86.2 52.8 37 37 A A G 3 S+ 0 0 60 1,-0.3 -1,-0.2 3,-0.0 56,-0.0 0.526 129.2 66.4 -64.1 -7.1 21.5 88.4 53.5 38 38 A A G < S+ 0 0 14 -3,-1.5 11,-2.0 10,-0.1 2,-0.3 0.408 99.1 62.0 -94.3 3.2 23.7 86.2 51.4 39 39 A F B < +g 49 0B 55 -3,-1.9 11,-0.2 9,-0.2 2,-0.2 -0.939 43.4 172.7-135.8 151.7 21.8 87.1 48.2 40 40 A D > - 0 0 34 9,-2.1 3,-2.1 -2,-0.3 5,-0.1 -0.683 10.7-168.3-156.1 94.1 21.0 90.1 45.9 41 41 A G T 3 S+ 0 0 33 1,-0.3 9,-0.1 -2,-0.2 -1,-0.0 0.660 89.1 57.9 -60.0 -19.9 19.2 89.3 42.7 42 42 A T T 3 S- 0 0 95 3,-0.0 -1,-0.3 335,-0.0 335,-0.1 0.481 101.5-136.7 -88.4 -3.1 19.7 92.8 41.3 43 43 A a < + 0 0 13 -3,-2.1 334,-0.4 6,-0.2 3,-0.1 0.900 64.3 129.6 46.7 51.2 23.5 92.3 41.7 44 44 A T + 0 0 111 1,-0.2 2,-1.1 332,-0.1 -1,-0.1 0.736 62.3 62.8 -97.5 -34.4 23.9 95.8 43.1 45 45 A N S > S- 0 0 64 1,-0.1 3,-1.7 4,-0.1 -1,-0.2 -0.797 73.9-165.7 -93.7 96.8 25.8 94.5 46.2 46 46 A L T 3 S+ 0 0 21 -2,-1.1 -1,-0.1 1,-0.3 4,-0.1 0.292 79.2 63.6 -70.3 11.6 28.9 93.0 44.5 47 47 A R T 3 S+ 0 0 89 2,-0.1 48,-2.2 46,-0.1 50,-0.3 0.366 94.6 68.8-113.6 1.1 29.9 91.1 47.6 48 48 A L S < S- 0 0 12 -3,-1.7 -9,-0.2 46,-0.2 2,-0.1 -0.734 99.0 -80.2-115.0 164.6 26.9 88.8 47.8 49 49 A Y B -g 39 0B 14 -11,-2.0 -9,-2.1 -2,-0.2 -6,-0.2 -0.438 36.5-172.6 -65.4 137.1 25.7 86.0 45.6 50 50 A a - 0 0 0 -11,-0.2 -1,-0.1 -2,-0.1 -23,-0.1 0.605 47.5-102.7-105.1 -20.1 23.9 87.3 42.5 51 51 A G + 0 0 2 1,-0.3 -22,-0.4 -19,-0.1 -23,-0.2 0.217 63.4 151.2 120.3 -17.8 22.7 84.0 41.2 52 52 A G + 0 0 3 -29,-2.4 -25,-0.3 -25,-0.2 -1,-0.3 -0.220 23.4 162.8 -50.9 130.7 25.0 83.1 38.3 53 53 A D > - 0 0 0 -27,-2.3 4,-1.3 -30,-0.1 -27,-0.3 -0.773 52.5 -89.5-141.9-175.0 25.2 79.3 38.0 54 54 A W H > S+ 0 0 0 58,-2.5 4,-2.6 -2,-0.2 5,-0.1 0.814 119.3 58.7 -72.5 -30.3 26.2 76.4 35.8 55 55 A Q H > S+ 0 0 60 57,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.853 104.7 53.6 -66.2 -32.2 22.8 76.1 34.1 56 56 A G H > S+ 0 0 0 -30,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.892 108.4 47.3 -67.9 -40.3 23.3 79.7 33.0 57 57 A I H X S+ 0 0 0 -4,-1.3 4,-1.5 -31,-0.2 -2,-0.2 0.933 110.9 53.2 -65.3 -44.1 26.6 78.9 31.4 58 58 A I H X S+ 0 0 10 -4,-2.6 4,-2.0 1,-0.2 3,-0.2 0.905 109.0 49.7 -55.4 -43.3 24.9 75.9 29.8 59 59 A N H X S+ 0 0 62 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.902 110.2 48.3 -65.2 -41.4 22.3 78.2 28.4 60 60 A K H <>S+ 0 0 21 -4,-2.2 6,-1.3 1,-0.2 5,-0.7 0.685 111.4 52.0 -73.8 -17.0 24.8 80.7 27.0 61 61 A I H <5S+ 0 0 0 -4,-1.5 3,-0.5 -3,-0.2 -1,-0.2 0.847 113.9 43.6 -81.5 -37.4 26.7 77.8 25.4 62 62 A N H <5S+ 0 0 82 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.766 110.3 53.0 -79.7 -28.2 23.5 76.5 23.8 63 63 A D T <5S- 0 0 93 -4,-2.2 -1,-0.2 -5,-0.1 -3,-0.1 0.347 113.1-110.7 -92.9 8.5 22.1 79.8 22.5 64 64 A G T >5S+ 0 0 27 -3,-0.5 4,-2.5 -5,-0.1 5,-0.2 0.463 77.5 126.9 85.7 2.3 25.3 80.8 20.7 65 65 A Y H >>S+ 0 0 0 -6,-1.3 5,-1.8 2,-0.2 4,-1.1 0.897 120.9 53.5 -79.1 -42.1 30.1 82.1 23.2 67 67 A T H >45S+ 0 0 72 -7,-0.4 3,-1.0 1,-0.2 -2,-0.2 0.937 109.3 48.8 -57.5 -49.6 30.1 80.0 20.0 68 68 A G H 3<5S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.733 108.2 55.9 -64.6 -21.6 29.4 83.0 17.9 69 69 A M H 3<5S- 0 0 0 -4,-0.5 326,-0.3 -3,-0.4 -1,-0.3 0.693 115.6-113.2 -83.9 -19.9 32.1 85.0 19.6 70 70 A G T <<5 + 0 0 12 -4,-1.1 2,-0.2 -3,-1.0 -3,-0.2 0.493 62.9 151.7 99.2 4.7 34.8 82.4 18.7 71 71 A V < + 0 0 5 -5,-1.8 -1,-0.3 -6,-0.1 -54,-0.1 -0.529 17.7 175.1 -69.1 133.4 35.4 81.3 22.3 72 72 A T + 0 0 26 -56,-1.7 59,-2.3 1,-0.2 2,-0.3 0.278 62.6 33.3-123.3 6.0 36.5 77.6 22.4 73 73 A A E -ac 17 131A 0 -57,-1.1 -55,-2.4 57,-0.3 2,-0.4 -0.979 61.7-153.9-160.6 148.5 37.2 77.2 26.1 74 74 A I E -ac 18 132A 0 57,-2.2 59,-3.5 -2,-0.3 2,-0.5 -0.962 4.5-156.0-129.1 146.5 35.9 78.5 29.4 75 75 A W E -ac 19 133A 6 -57,-2.3 -55,-3.3 -2,-0.4 2,-0.2 -0.985 24.0-168.7-121.5 117.2 37.5 78.9 32.8 76 76 A I E -ac 20 134A 0 57,-2.7 59,-1.5 -2,-0.5 -55,-0.2 -0.670 28.5 -84.1-110.5 163.2 35.0 78.9 35.7 77 77 A S - 0 0 5 -57,-0.7 22,-0.1 -2,-0.2 -1,-0.1 -0.171 69.4 -72.0 -57.7 154.2 35.1 79.7 39.4 78 78 A Q - 0 0 0 20,-0.5 -1,-0.2 1,-0.2 58,-0.1 -0.273 45.8-152.8 -50.8 126.2 36.3 76.9 41.7 79 79 A P + 0 0 0 0, 0.0 30,-1.7 0, 0.0 -1,-0.2 0.650 57.1 108.5 -78.8 -17.9 33.4 74.4 41.7 80 80 A V E S-H 108 0C 0 28,-0.2 28,-0.3 1,-0.1 25,-0.2 -0.163 84.2 -83.9 -64.2 156.0 34.0 72.9 45.1 81 81 A E E -H 104 0C 14 26,-1.5 22,-2.5 23,-1.2 23,-1.6 -0.383 48.8-161.7 -61.7 127.0 31.8 73.6 48.1 82 82 A N E -H 102 0C 2 20,-0.3 20,-0.2 21,-0.2 21,-0.1 -0.534 30.8 -80.6-102.1 172.7 32.6 76.8 49.8 83 83 A I - 0 0 1 18,-1.6 13,-0.3 -2,-0.2 -1,-0.2 -0.300 28.1-143.4 -68.8 160.9 31.6 78.0 53.3 84 84 A Y + 0 0 121 11,-0.1 -1,-0.1 -3,-0.1 68,-0.0 0.450 58.4 124.8-104.5 -4.0 28.1 79.4 53.7 85 85 A S - 0 0 25 1,-0.1 2,-0.6 10,-0.1 11,-0.3 -0.107 57.1-141.1 -55.9 151.1 29.1 82.0 56.2 86 86 A I - 0 0 61 9,-0.1 2,-0.4 10,-0.1 9,-0.2 -0.909 25.0-152.5-115.7 96.8 28.3 85.7 55.6 87 87 A I E -K 94 0D 5 7,-2.0 7,-1.6 -2,-0.6 2,-0.8 -0.575 4.9-146.9 -79.4 127.9 31.4 87.4 56.9 88 88 A N E -K 93 0D 91 -2,-0.4 2,-0.8 5,-0.2 5,-0.3 -0.834 14.9-173.0 -95.4 107.3 31.1 91.0 58.2 89 89 A Y E > S-K 92 0D 76 3,-3.2 3,-0.8 -2,-0.8 -2,-0.0 -0.844 73.6 -34.2-104.3 97.4 34.3 92.9 57.3 90 90 A S T 3 S- 0 0 126 -2,-0.8 -1,-0.2 1,-0.2 3,-0.1 0.946 128.1 -38.3 56.6 53.7 34.1 96.2 59.0 91 91 A G T 3 S+ 0 0 62 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.390 119.4 107.0 82.8 -3.9 30.4 96.6 58.6 92 92 A V E < -K 89 0D 57 -3,-0.8 -3,-3.2 -45,-0.0 -1,-0.2 -0.937 63.9-135.3-114.8 123.7 30.3 95.1 55.1 93 93 A N E -K 88 0D 62 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.465 22.4-171.4 -74.8 145.4 28.9 91.6 54.5 94 94 A N E -K 87 0D 26 -7,-1.6 -7,-2.0 -2,-0.1 2,-0.2 -0.998 4.5-172.2-139.6 139.9 30.8 89.2 52.3 95 95 A T - 0 0 3 -48,-2.2 3,-0.4 -2,-0.3 -9,-0.1 -0.654 39.5-101.4-121.4-179.4 29.9 85.8 50.8 96 96 A A S > S+ 0 0 1 -13,-0.3 3,-2.5 -11,-0.3 5,-0.2 0.007 70.5 130.4 -94.3 28.8 31.8 83.0 48.9 97 97 A Y T 3 S+ 0 0 6 1,-0.3 -74,-0.5 -50,-0.3 -1,-0.2 0.783 71.3 58.2 -51.6 -29.0 30.3 84.0 45.5 98 98 A H T 3 S- 0 0 16 -3,-0.4 -20,-0.5 -51,-0.1 -1,-0.3 0.638 103.1-134.0 -78.6 -15.9 33.9 84.0 44.1 99 99 A G S < S+ 0 0 0 -3,-2.5 -19,-0.1 -22,-0.1 -2,-0.1 0.552 71.4 117.7 75.9 10.0 34.4 80.3 45.2 100 100 A Y + 0 0 25 1,-0.2 2,-0.7 36,-0.1 40,-0.1 0.434 55.3 78.3 -89.9 2.0 37.8 80.8 46.7 101 101 A W S S- 0 0 25 -5,-0.2 -18,-1.6 -21,-0.1 41,-0.2 -0.664 70.5-171.9-110.4 74.9 36.8 79.8 50.2 102 102 A A E +H 82 0C 1 39,-0.8 -20,-0.3 -2,-0.7 3,-0.1 -0.254 24.5 167.0 -67.8 152.8 36.7 76.0 50.0 103 103 A R E S+ 0 0 28 -22,-2.5 55,-3.7 1,-0.2 2,-0.3 0.454 78.8 20.0-133.2 -30.7 35.3 73.8 52.7 104 104 A D E > -Hi 81 158C 0 -23,-1.6 3,-1.2 53,-0.2 -23,-1.2 -0.865 57.3-168.1-147.9 108.9 35.1 70.4 50.9 105 105 A F E 3 S+ 0 0 0 53,-0.5 54,-0.1 -2,-0.3 -1,-0.1 0.555 88.3 59.2 -75.0 -7.2 37.1 69.8 47.7 106 106 A K E 3 S+ 0 0 44 52,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.291 101.6 61.8-103.6 8.9 35.1 66.7 46.9 107 107 A K E < S- 0 0 72 -3,-1.2 -26,-1.5 -26,-0.1 2,-0.2 -0.866 80.2-115.2-128.6 164.1 31.7 68.4 46.7 108 108 A T E -H 80 0C 17 -28,-0.3 -28,-0.2 -2,-0.3 -27,-0.2 -0.474 30.4-102.8 -95.9 168.7 30.2 71.1 44.6 109 109 A N >> - 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0 0 0 -56,-2.4 -57,-1.6 -2,-0.4 2,-0.5 -0.369 34.1-136.8 -57.3 109.5 43.5 79.2 56.8 199 199 A D E -L 140 0E 2 -2,-0.4 -23,-2.7 -23,-0.3 -59,-0.2 -0.592 14.5-133.8 -77.6 117.8 46.8 78.0 55.1 200 200 A L B -N 175 0F 1 -61,-2.0 2,-0.8 -2,-0.5 -25,-0.3 -0.379 10.9-130.2 -70.2 147.1 46.8 74.3 54.4 201 201 A N > - 0 0 7 -27,-3.3 3,-1.8 1,-0.1 6,-0.3 -0.843 19.1-173.4-103.2 99.8 49.9 72.3 55.3 202 202 A H T 3 S+ 0 0 5 -2,-0.8 -1,-0.1 1,-0.3 386,-0.1 0.533 82.2 67.5 -71.6 -5.2 50.9 70.2 52.3 203 203 A N T 3 S+ 0 0 28 474,-0.1 2,-0.6 -29,-0.1 -1,-0.3 0.547 78.3 96.5 -88.2 -9.7 53.6 68.5 54.4 204 204 A N S <> S- 0 0 21 -3,-1.8 4,-2.7 -30,-0.2 3,-0.3 -0.736 75.9-143.4 -80.7 119.3 50.8 66.9 56.3 205 205 A S H > S+ 0 0 51 -2,-0.6 4,-2.4 1,-0.2 5,-0.3 0.827 98.4 54.8 -53.8 -36.5 50.3 63.5 54.8 206 206 A T H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 111.4 43.4 -64.9 -44.6 46.5 63.7 55.3 207 207 A V H > S+ 0 0 0 -3,-0.3 4,-2.5 -6,-0.3 5,-0.3 0.909 113.3 53.3 -66.3 -43.3 46.3 67.0 53.4 208 208 A D H X S+ 0 0 4 -4,-2.7 4,-1.8 -7,-0.3 -2,-0.2 0.943 114.3 39.2 -57.5 -53.0 48.6 65.8 50.7 209 209 A V H X S+ 0 0 57 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.891 113.8 56.4 -66.6 -39.8 46.7 62.6 49.9 210 210 A Y H X S+ 0 0 7 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.945 109.0 44.5 -56.7 -53.5 43.3 64.4 50.3 211 211 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.896 112.3 51.2 -61.9 -42.2 44.0 67.1 47.7 212 212 A K H X S+ 0 0 18 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.884 112.4 46.9 -65.3 -35.1 45.5 64.6 45.2 213 213 A D H X S+ 0 0 70 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.895 109.7 56.9 -69.8 -37.7 42.4 62.4 45.5 214 214 A A H >X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.5 0.932 105.6 46.7 -58.5 -51.8 40.2 65.5 45.2 215 215 A I H 3X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.860 105.6 61.8 -61.9 -34.1 41.6 66.7 41.8 216 216 A K H 3X S+ 0 0 54 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.881 99.1 56.2 -58.1 -39.2 41.3 63.1 40.5 217 217 A M H S+ 0 0 0 -4,-1.3 5,-1.6 1,-0.2 4,-0.4 0.839 110.4 54.3 -70.4 -32.0 37.3 66.4 38.9 219 219 A L H ><5S+ 0 0 8 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.901 107.4 51.5 -66.2 -38.7 39.6 64.8 36.3 220 220 A D H 3<5S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.707 101.5 61.5 -70.5 -19.4 37.1 61.9 36.2 221 221 A L T 3<5S- 0 0 31 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.560 122.7-105.5 -82.5 -9.0 34.3 64.3 35.7 222 222 A G T < 5 + 0 0 17 -3,-1.2 -90,-0.2 -4,-0.4 -3,-0.2 0.639 55.9 166.4 99.8 15.6 35.9 65.4 32.4 223 223 A I < - 0 0 1 -5,-1.6 -90,-0.2 1,-0.1 -1,-0.2 -0.230 25.8-152.6 -59.8 156.7 37.5 68.8 33.0 224 224 A D + 0 0 2 -92,-2.9 29,-0.9 1,-0.3 2,-0.3 0.489 67.9 3.4-109.8 -8.6 40.0 69.8 30.2 225 225 A G E -de 133 253A 0 -93,-1.1 -91,-1.7 27,-0.2 2,-0.4 -0.987 60.2-130.8-169.0 165.6 42.3 72.0 32.2 226 226 A I E -de 134 254A 0 27,-2.7 29,-2.6 -2,-0.3 2,-0.6 -0.988 1.9-157.0-133.4 138.9 43.1 73.5 35.6 227 227 A R E -de 135 255A 0 -93,-2.6 -91,-2.3 -2,-0.4 2,-0.4 -0.932 23.5-147.3-114.1 105.0 43.8 77.1 36.8 228 228 A M E > -de 136 256A 0 27,-2.3 29,-2.2 -2,-0.6 3,-0.5 -0.596 12.0-129.8 -79.5 129.6 45.9 76.9 40.0 229 229 A D T 3 S- 0 0 10 -93,-2.1 -90,-0.1 -2,-0.4 4,-0.1 -0.514 73.4 -17.1 -81.3 140.8 45.3 79.6 42.6 230 230 A V T > + 0 0 22 -2,-0.2 3,-2.3 1,-0.2 -1,-0.2 0.782 68.7 173.4 30.9 56.7 48.2 81.6 44.2 231 231 A V G X S+ 0 0 0 26,-0.9 3,-1.0 -3,-0.5 27,-0.2 0.683 72.2 67.4 -64.3 -16.9 50.9 79.1 43.2 232 232 A K G 3 S+ 0 0 50 25,-0.7 -1,-0.3 1,-0.2 4,-0.1 0.586 98.4 56.6 -76.8 -6.6 53.5 81.5 44.5 233 233 A H G < S+ 0 0 23 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.138 96.2 69.2-113.2 20.5 52.1 80.7 48.0 234 234 A M S < S- 0 0 0 -3,-1.0 -43,-0.1 -43,-0.1 2,-0.1 -0.950 100.1 -83.3-131.8 151.6 52.5 77.0 48.0 235 235 A P > - 0 0 5 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.364 34.7-145.1 -56.7 125.7 55.7 74.9 48.2 236 236 A F H > S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.884 99.2 54.5 -61.1 -37.6 56.9 74.6 44.6 237 237 A G H > S+ 0 0 10 402,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.902 108.4 47.3 -62.9 -42.4 58.2 71.1 45.3 238 238 A W H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.899 109.7 54.0 -66.0 -40.1 54.8 70.0 46.6 239 239 A Q H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.851 105.1 54.0 -63.4 -34.1 53.1 71.5 43.5 240 240 A K H X S+ 0 0 29 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.915 109.0 47.7 -65.7 -41.2 55.4 69.6 41.3 241 241 A S H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.790 111.1 53.6 -69.1 -25.6 54.4 66.4 43.0 242 242 A F H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.919 109.1 46.4 -72.2 -44.9 50.8 67.6 42.6 243 243 A M H X S+ 0 0 1 -4,-2.7 4,-3.1 33,-0.3 -2,-0.2 0.830 110.8 53.7 -66.0 -32.3 51.3 68.1 38.8 244 244 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.887 106.0 52.5 -69.3 -38.5 53.0 64.7 38.6 245 245 A A H < S+ 0 0 21 -4,-1.6 5,-0.2 2,-0.2 4,-0.2 0.918 114.5 43.5 -61.5 -42.8 49.9 63.1 40.3 246 246 A V H >X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 3,-1.1 0.952 117.9 43.1 -66.3 -51.7 47.7 64.8 37.7 247 247 A N H 3< S+ 0 0 3 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.780 110.8 54.1 -68.8 -29.1 50.0 64.0 34.7 248 248 A N T 3< S+ 0 0 26 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.466 123.7 28.7 -84.3 -0.1 50.7 60.4 35.7 249 249 A Y T <4 S- 0 0 99 -3,-1.1 -2,-0.2 -4,-0.2 -3,-0.2 0.641 142.2 -16.6-116.9 -75.8 46.9 59.8 35.9 250 250 A K S < S- 0 0 91 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.1 -0.774 71.2-148.1-140.1 90.9 45.0 62.1 33.5 251 251 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 -242,-0.1 -0.360 22.8 171.0 -63.8 132.5 47.1 65.0 32.3 252 252 A V - 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