==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-NOV-03 1V3K . COMPND 2 MOLECULE: CYCLOMALTODEXTRIN GLUCANOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR R.KANAI,K.HAGA,T.AKIBA,K.YAMANE,K.HARATA . 1372 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 887 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 246 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 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 . 113 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 152 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 4 2 2 0 0 6 0 2 3 3 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 6 4 6 0 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 PARALLEL BRIDGES PER LADDER . 12 2 13 9 4 5 1 4 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 . 8 4 7 2 2 2 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 53 0, 0.0 544,-0.1 0, 0.0 546,-0.0 0.000 360.0 360.0 360.0 156.2 54.4 43.9 -15.5 2 2 A P > - 0 0 52 0, 0.0 3,-1.4 0, 0.0 6,-0.1 -0.183 360.0-111.0 -68.1 162.9 52.8 40.7 -14.0 3 3 A D T 3 S+ 0 0 1 1,-0.2 11,-0.2 516,-0.2 8,-0.1 0.857 117.4 56.4 -56.8 -33.2 50.3 40.8 -11.2 4 4 A T T 3 S+ 0 0 38 395,-0.1 -1,-0.2 3,-0.1 396,-0.0 0.501 81.2 121.3 -81.3 -8.0 52.9 39.1 -8.9 5 5 A S S X S- 0 0 28 -3,-1.4 3,-1.7 1,-0.2 0, 0.0 -0.239 71.4-126.8 -57.5 148.7 55.5 41.7 -9.4 6 6 A V T 3 S+ 0 0 26 1,-0.3 -1,-0.2 120,-0.1 121,-0.0 0.749 108.7 67.8 -64.6 -22.0 57.0 43.6 -6.5 7 7 A S T 3 S+ 0 0 73 1,-0.1 2,-1.7 -5,-0.1 -1,-0.3 0.573 70.6 101.3 -79.9 -2.7 56.0 46.8 -8.4 8 8 A N < + 0 0 3 -3,-1.7 3,-0.2 1,-0.2 -1,-0.1 -0.603 41.9 165.1 -79.2 88.3 52.3 46.1 -8.0 9 9 A K + 0 0 54 -2,-1.7 244,-2.8 1,-0.2 -1,-0.2 0.565 63.5 64.4 -79.5 -9.1 51.6 48.5 -5.1 10 10 A Q S S+ 0 0 29 242,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.841 102.8 32.5 -88.9 -29.3 47.9 48.3 -5.6 11 11 A N + 0 0 3 -3,-0.2 -1,-0.2 -8,-0.1 3,-0.1 -0.985 48.5 179.7-136.3 139.0 46.9 44.7 -4.7 12 12 A F > + 0 0 0 -2,-0.4 3,-2.0 306,-0.2 -1,-0.1 0.190 48.0 112.0-124.5 16.1 48.5 42.3 -2.3 13 13 A S T 3 S+ 0 0 1 1,-0.3 -1,-0.1 342,-0.1 306,-0.0 0.759 82.2 54.8 -65.7 -23.1 46.4 39.1 -2.6 14 14 A T T 3 S+ 0 0 5 -11,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.477 101.7 84.2 -86.2 1.2 49.5 37.3 -4.1 15 15 A D < - 0 0 1 -3,-2.0 2,-0.5 383,-0.1 56,-0.1 -0.563 64.8-147.2-102.1 160.4 51.6 38.4 -1.1 16 16 A V - 0 0 1 -2,-0.2 56,-2.3 54,-0.2 57,-1.5 -0.994 23.8-148.8-122.7 120.5 52.3 37.2 2.4 17 17 A I E -ab 73 357A 0 339,-2.8 341,-2.9 -2,-0.5 2,-0.5 -0.721 4.7-155.0 -85.3 136.6 52.9 40.0 4.8 18 18 A Y E -ab 74 358A 0 55,-2.2 57,-2.6 -2,-0.3 2,-0.6 -0.978 16.1-144.4-111.8 114.3 55.3 39.6 7.9 19 19 A Q E -ab 75 359A 6 339,-2.9 341,-2.7 -2,-0.5 2,-0.4 -0.757 20.9-171.7 -85.4 121.2 54.3 42.1 10.6 20 20 A I - 0 0 2 55,-3.3 2,-0.9 -2,-0.6 57,-0.4 -0.923 28.0-149.3-119.0 127.0 57.3 43.5 12.5 21 21 A F > - 0 0 4 -2,-0.4 3,-1.8 1,-0.2 4,-0.3 -0.895 28.9-145.9 -84.2 108.0 57.5 45.6 15.6 22 22 A T G >> S+ 0 0 0 -2,-0.9 3,-1.3 1,-0.3 4,-0.7 0.876 91.6 53.2 -49.0 -40.7 60.7 47.3 14.5 23 23 A D G 34 S+ 0 0 2 74,-0.5 29,-1.9 1,-0.3 -1,-0.3 0.702 110.5 47.0 -71.2 -16.9 62.2 47.7 18.0 24 24 A R G <4 S+ 0 0 0 -3,-1.8 354,-2.2 27,-0.1 -1,-0.3 0.261 101.9 64.0-111.2 10.5 61.7 44.0 18.8 25 25 A F T <4 S- 0 0 5 -3,-1.3 2,-0.3 -4,-0.3 -2,-0.1 0.885 109.6 -22.7-105.8 -73.2 63.1 42.3 15.7 26 26 A S < - 0 0 27 -4,-0.7 27,-2.4 27,-0.3 2,-1.4 -0.946 42.0-143.0-149.9 132.2 66.9 43.1 15.2 27 27 A D + 0 0 52 -2,-0.3 25,-0.2 25,-0.3 27,-0.1 -0.713 30.5 164.9 -89.4 93.9 69.2 45.7 16.4 28 28 A G S S+ 0 0 24 -2,-1.4 -1,-0.2 1,-0.2 24,-0.1 0.642 71.1 36.5 -83.9 -17.9 71.4 46.1 13.4 29 29 A N > - 0 0 54 22,-0.4 3,-0.8 -3,-0.2 -1,-0.2 -0.901 59.4-178.2-139.6 96.7 72.9 49.4 14.5 30 30 A P G > S+ 0 0 85 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.794 77.4 73.9 -65.2 -22.1 73.6 49.9 18.3 31 31 A A G 3 S+ 0 0 92 1,-0.3 -2,-0.0 0, 0.0 80,-0.0 0.725 94.8 52.2 -67.0 -18.6 74.8 53.5 17.8 32 32 A N G < S+ 0 0 28 -3,-0.8 -1,-0.3 19,-0.1 81,-0.1 0.326 82.5 123.2 -97.1 9.6 71.2 54.7 17.2 33 33 A N < - 0 0 29 -3,-1.8 6,-0.1 1,-0.1 79,-0.0 -0.469 69.3-111.8 -71.0 136.1 69.9 53.1 20.4 34 34 A P - 0 0 31 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.246 38.3-139.2 -54.2 153.7 68.2 55.4 22.9 35 35 A T > + 0 0 117 3,-0.0 3,-1.3 5,-0.0 5,-0.0 -0.743 50.0 4.1-116.8 163.4 70.2 55.8 26.1 36 36 A G G > S- 0 0 59 -2,-0.3 3,-1.9 1,-0.3 0, 0.0 -0.281 123.6 -0.1 77.9-142.4 69.4 56.0 29.7 37 37 A A G 3 S+ 0 0 64 1,-0.3 -1,-0.3 3,-0.0 56,-0.0 0.608 129.0 60.7 -60.9 -19.2 65.9 55.5 31.1 38 38 A A G < S+ 0 0 13 -3,-1.3 11,-2.5 10,-0.1 2,-0.4 0.603 97.3 69.4 -84.2 -13.6 64.5 55.0 27.6 39 39 A F B < +g 49 0B 58 -3,-1.9 2,-0.3 9,-0.2 11,-0.2 -0.855 44.1 174.1-119.8 138.6 66.6 51.9 26.8 40 40 A D > - 0 0 28 9,-3.1 3,-2.0 -2,-0.4 5,-0.1 -0.741 7.0-173.2-137.6 98.1 66.7 48.3 28.0 41 41 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.1 -2,-0.3 9,-0.1 0.743 87.3 57.8 -61.0 -23.2 69.1 46.2 26.0 42 42 A S T 3 S- 0 0 68 3,-0.0 -1,-0.3 1,-0.0 8,-0.1 0.680 97.4-143.4 -79.4 -14.1 68.0 43.0 27.8 43 43 A a < + 0 0 11 -3,-2.0 334,-0.4 6,-0.2 3,-0.1 0.897 62.3 125.6 50.1 44.7 64.5 43.8 26.6 44 44 A T + 0 0 114 1,-0.2 2,-0.9 332,-0.1 -1,-0.1 0.655 63.0 62.1 -97.4 -19.3 63.0 42.5 29.8 45 45 A N S > S- 0 0 52 1,-0.1 3,-1.5 -5,-0.1 -1,-0.2 -0.893 78.4-163.2-101.6 103.0 61.0 45.7 30.5 46 46 A L T 3 S+ 0 0 28 -2,-0.9 -1,-0.1 1,-0.3 4,-0.1 0.267 77.6 66.1 -75.9 9.5 58.8 45.5 27.4 47 47 A R T 3 S+ 0 0 83 46,-0.2 48,-2.3 2,-0.1 50,-0.3 0.290 92.7 73.6-109.0 5.6 57.7 49.2 27.5 48 48 A L S < S- 0 0 15 -3,-1.5 2,-0.4 46,-0.2 -9,-0.2 -0.649 97.7 -85.8-109.8 170.1 61.2 50.5 26.8 49 49 A Y B -g 39 0B 16 -11,-2.5 -9,-3.1 -2,-0.2 -6,-0.2 -0.668 31.7-172.3 -74.5 126.8 63.3 50.5 23.6 50 50 A a - 0 0 1 -2,-0.4 -1,-0.1 -11,-0.2 -23,-0.1 0.506 50.5-105.0 -91.9 -12.5 65.2 47.3 23.2 51 51 A G + 0 0 1 1,-0.3 -22,-0.4 -19,-0.1 -27,-0.1 0.355 62.8 151.9 112.6 -6.4 67.2 48.7 20.1 52 52 A G + 0 0 3 -29,-1.9 -25,-0.3 -25,-0.2 -1,-0.3 -0.289 20.0 164.8 -61.1 139.7 65.7 47.0 17.0 53 53 A D >> - 0 0 0 -27,-2.4 4,-1.3 -30,-0.1 3,-0.7 -0.836 51.7 -83.9-147.8-178.9 65.9 49.1 13.8 54 54 A W H 3> S+ 0 0 0 58,-2.2 4,-2.6 1,-0.2 5,-0.2 0.884 121.1 59.0 -68.0 -35.7 65.7 49.3 10.0 55 55 A Q H 3> S+ 0 0 56 57,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.824 102.9 55.6 -59.5 -26.4 69.3 48.1 9.6 56 56 A G H <> S+ 0 0 0 -3,-0.7 4,-1.6 -30,-0.5 -1,-0.2 0.901 107.8 46.4 -73.8 -40.5 68.3 45.0 11.5 57 57 A I H X S+ 0 0 0 -4,-1.3 4,-1.5 -31,-0.2 3,-0.4 0.957 110.7 53.4 -67.3 -46.9 65.4 44.3 9.0 58 58 A I H >X S+ 0 0 7 -4,-2.6 4,-2.9 1,-0.2 3,-0.6 0.930 108.2 51.3 -53.2 -44.3 67.9 44.9 6.1 59 59 A N H 3X S+ 0 0 62 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.895 109.7 49.2 -63.0 -32.7 70.3 42.3 7.6 60 60 A K H 3<>S+ 0 0 27 -4,-1.6 6,-2.3 -3,-0.4 5,-0.6 0.660 112.0 47.3 -85.0 -15.4 67.5 39.7 7.9 61 61 A I H X<5S+ 0 0 0 -4,-1.5 3,-1.6 -3,-0.6 6,-0.3 0.908 114.7 48.1 -80.2 -51.8 66.4 40.3 4.3 62 62 A N H 3<5S+ 0 0 93 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.837 110.5 48.8 -57.2 -40.3 70.0 40.0 3.0 63 63 A D T 3<5S- 0 0 95 -4,-2.2 -1,-0.3 -5,-0.2 -3,-0.1 0.301 115.1-111.4 -86.7 2.5 70.9 36.9 4.9 64 64 A G T <>5S+ 0 0 23 -3,-1.6 4,-1.9 -5,-0.1 5,-0.2 0.457 81.2 121.4 86.0 5.1 67.9 35.0 3.8 65 65 A Y H >4>S+ 0 0 0 -6,-2.3 5,-1.6 2,-0.2 3,-0.5 0.914 123.7 46.5 -78.7 -40.4 62.8 36.5 5.7 67 67 A T H >45S+ 0 0 51 -7,-0.4 3,-1.5 -6,-0.3 -2,-0.2 0.854 105.0 61.2 -73.6 -27.1 63.2 35.5 2.0 68 68 A G H 3<5S+ 0 0 29 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.780 102.0 55.4 -67.1 -25.4 63.8 31.8 2.9 69 69 A M T <<5S- 0 0 0 -4,-0.5 326,-0.3 -3,-0.5 -1,-0.3 0.587 116.9-114.9 -78.9 -17.7 60.4 31.9 4.5 70 70 A G T < 5 + 0 0 17 -3,-1.5 2,-0.2 -4,-0.3 -3,-0.2 0.662 57.8 159.9 88.4 14.5 58.7 33.1 1.3 71 71 A I < + 0 0 5 -5,-1.6 -1,-0.3 1,-0.1 -54,-0.2 -0.540 15.8 177.4 -68.9 135.9 57.6 36.5 2.8 72 72 A T + 0 0 20 -56,-2.3 59,-2.3 1,-0.3 2,-0.3 0.319 63.4 35.1-122.6 4.3 56.9 39.0 0.1 73 73 A A E -ac 17 131A 0 -57,-1.5 -55,-2.2 57,-0.3 2,-0.4 -0.968 62.9-154.9-151.1 139.3 55.8 42.1 2.1 74 74 A I E -ac 18 132A 0 57,-2.7 59,-3.2 -2,-0.3 2,-0.5 -0.949 5.6-154.4-116.0 143.1 56.9 43.4 5.5 75 75 A W E -ac 19 133A 3 -57,-2.6 -55,-3.3 -2,-0.4 2,-0.2 -0.977 24.7-173.9-113.2 116.9 54.6 45.6 7.7 76 76 A I E - c 0 134A 0 57,-2.6 59,-1.5 -2,-0.5 -55,-0.1 -0.701 29.1 -82.9-115.5 165.2 56.7 47.9 10.0 77 77 A S - 0 0 2 -57,-0.4 22,-0.2 -2,-0.2 -1,-0.1 -0.202 67.8 -73.6 -59.6 154.2 56.1 50.3 12.9 78 78 A Q - 0 0 0 20,-0.5 -1,-0.2 1,-0.2 58,-0.1 -0.234 45.5-148.9 -55.4 129.9 55.2 53.9 12.0 79 79 A P + 0 0 0 0, 0.0 30,-2.0 0, 0.0 -1,-0.2 0.591 57.5 107.5 -84.2 -7.8 58.4 55.5 10.7 80 80 A V E S-H 108 0C 0 28,-0.3 28,-0.3 19,-0.2 25,-0.2 -0.242 82.5 -82.6 -78.9 156.4 57.9 59.1 11.8 81 81 A E E -H 104 0C 10 26,-1.8 22,-3.1 23,-1.1 23,-1.8 -0.287 49.9-164.3 -55.3 128.4 59.6 60.9 14.6 82 82 A N E -H 102 0C 2 20,-0.3 20,-0.2 21,-0.2 60,-0.1 -0.629 31.1 -76.5-107.6 169.7 58.0 60.2 18.0 83 83 A I - 0 0 3 18,-1.9 13,-0.4 -2,-0.2 -1,-0.1 -0.307 30.2-145.0 -66.2 150.2 58.3 61.9 21.4 84 84 A Y + 0 0 118 11,-0.1 -1,-0.1 2,-0.1 68,-0.0 0.654 59.0 117.4 -91.6 -18.2 61.5 61.4 23.3 85 85 A S - 0 0 25 1,-0.1 2,-0.7 10,-0.1 11,-0.3 -0.083 59.4-140.4 -50.3 142.1 59.9 61.4 26.8 86 86 A V - 0 0 48 9,-0.1 2,-0.5 66,-0.1 9,-0.2 -0.941 27.4-153.1-101.6 116.1 60.0 58.4 29.2 87 87 A I E -K 94 0D 6 7,-2.9 7,-2.1 -2,-0.7 2,-0.8 -0.843 6.2-146.8 -98.9 131.0 56.5 58.6 30.7 88 88 A N E -K 93 0D 87 -2,-0.5 2,-0.8 5,-0.2 5,-0.3 -0.824 12.9-172.3 -95.4 108.1 56.0 57.1 34.1 89 89 A Y E > S-K 92 0D 72 3,-3.2 3,-1.5 -2,-0.8 -2,-0.0 -0.924 75.6 -36.5-103.3 103.8 52.5 55.6 34.3 90 90 A S T 3 S- 0 0 132 -2,-0.8 2,-0.6 1,-0.3 -1,-0.2 0.909 126.5 -36.2 45.0 61.8 52.1 54.7 38.0 91 91 A G T 3 S+ 0 0 56 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.261 118.2 101.1 92.2 -44.4 55.6 53.6 38.6 92 92 A V E < -K 89 0D 55 -3,-1.5 -3,-3.2 -2,-0.6 2,-0.3 -0.528 66.7-134.3 -86.6 134.1 56.3 52.0 35.2 93 93 A N E -K 88 0D 54 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.630 22.4-166.7 -81.8 142.7 58.3 53.8 32.6 94 94 A N E -K 87 0D 17 -7,-2.1 -7,-2.9 -2,-0.3 2,-0.2 -0.982 5.8-173.3-134.5 135.3 57.0 53.9 29.0 95 95 A T - 0 0 2 -48,-2.3 3,-0.4 -2,-0.3 2,-0.2 -0.767 41.0-104.1-121.8 173.8 58.6 55.0 25.8 96 96 A A > + 0 0 1 -13,-0.4 3,-2.2 -11,-0.3 5,-0.2 -0.058 69.7 134.2 -84.7 39.8 57.4 55.4 22.2 97 97 A Y T 3 + 0 0 5 -50,-0.3 -74,-0.5 1,-0.3 -1,-0.2 0.794 67.5 58.8 -61.1 -29.3 59.1 52.1 21.1 98 98 A H T 3 S- 0 0 17 -3,-0.4 -20,-0.5 -51,-0.1 -1,-0.3 0.439 106.9-124.4 -79.8 -8.2 56.0 51.2 19.2 99 99 A G S < S+ 0 0 0 -3,-2.2 -19,-0.2 -22,-0.2 -2,-0.1 0.419 78.2 114.6 83.8 -7.3 56.0 54.2 16.9 100 100 A Y + 0 0 29 1,-0.2 2,-0.7 36,-0.1 40,-0.1 0.514 54.6 72.8 -79.3 -6.3 52.5 55.4 17.8 101 101 A W S S- 0 0 23 -5,-0.2 -18,-1.9 -18,-0.1 41,-0.2 -0.628 72.2-171.3-112.2 70.9 53.2 58.7 19.6 102 102 A A E +H 82 0C 0 -2,-0.7 -20,-0.3 39,-0.7 3,-0.1 -0.215 27.5 168.2 -61.8 147.6 54.2 61.0 16.7 103 103 A R E S+ 0 0 40 -22,-3.1 55,-2.9 1,-0.2 2,-0.3 0.517 79.6 22.4-128.0 -22.3 55.6 64.5 17.0 104 104 A D E > -Hi 81 158C 0 -23,-1.8 3,-1.3 53,-0.2 -23,-1.1 -0.831 55.9-169.5-148.1 109.4 56.7 65.1 13.3 105 105 A F E 3 S+ 0 0 0 53,-0.5 54,-0.1 -2,-0.3 -1,-0.1 0.468 86.9 60.0 -77.7 2.2 55.2 63.1 10.5 106 106 A K E 3 S+ 0 0 33 52,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.393 100.6 54.8-106.9 2.2 57.8 64.4 8.1 107 107 A K E < S- 0 0 75 -3,-1.3 -26,-1.8 -26,-0.1 2,-0.1 -0.850 83.6-105.6-130.3 165.0 61.0 63.1 9.8 108 108 A T E -H 80 0C 20 -28,-0.3 -28,-0.3 -2,-0.3 -27,-0.1 -0.458 30.5-106.6 -88.0 161.8 62.1 59.6 10.9 109 109 A N >> - 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0 0 0 -56,-2.3 -57,-1.5 -2,-0.4 2,-0.5 -0.477 34.2-133.4 -63.7 112.4 46.1 64.5 22.0 199 199 A D E -L 140 0E 2 -2,-0.4 -23,-2.4 -23,-0.4 -59,-0.3 -0.635 14.4-130.6 -74.7 120.9 43.4 64.1 19.4 200 200 A L B -M 175 0F 1 -61,-2.0 2,-0.9 -2,-0.5 -25,-0.3 -0.418 12.1-133.9 -72.1 140.2 44.1 65.9 16.1 201 201 A N > - 0 0 17 -27,-3.0 3,-1.5 1,-0.1 6,-0.3 -0.804 20.6-175.7 -96.6 102.5 41.4 68.1 14.7 202 202 A H T 3 S+ 0 0 7 -2,-0.9 6,-0.1 1,-0.3 -1,-0.1 0.622 79.2 68.9 -78.0 -11.4 41.0 67.2 11.0 203 203 A N T 3 S+ 0 0 32 474,-0.1 2,-0.6 4,-0.1 -1,-0.3 0.569 79.5 94.5 -79.5 -10.8 38.5 70.0 10.5 204 204 A N S <> S- 0 0 25 -3,-1.5 4,-2.6 1,-0.2 3,-0.4 -0.754 77.0-143.0 -78.8 125.0 41.4 72.4 11.0 205 205 A S H > S+ 0 0 49 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.852 98.5 54.3 -57.5 -38.6 42.7 73.2 7.5 206 206 A S H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.894 112.1 44.5 -62.1 -39.8 46.4 73.3 8.6 207 207 A V H > S+ 0 0 0 -3,-0.4 4,-2.4 -6,-0.3 5,-0.2 0.939 113.3 50.7 -70.7 -44.0 46.0 69.8 10.1 208 208 A D H X S+ 0 0 4 -4,-2.6 4,-1.8 -7,-0.2 -2,-0.2 0.940 115.2 40.8 -55.9 -52.6 44.2 68.5 7.1 209 209 A V H X S+ 0 0 51 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.905 113.0 54.9 -66.5 -44.9 46.7 69.7 4.6 210 210 A Y H X S+ 0 0 9 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.888 109.6 46.2 -54.1 -49.9 49.7 68.8 6.7 211 211 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.867 114.0 48.2 -66.2 -35.1 48.6 65.2 7.1 212 212 A K H X S+ 0 0 18 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.911 112.9 47.8 -70.9 -42.1 47.9 64.9 3.4 213 213 A D H X S+ 0 0 75 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.858 111.3 53.5 -60.1 -37.9 51.3 66.5 2.5 214 214 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 3,-0.3 0.964 107.2 47.4 -68.9 -47.1 52.9 64.1 4.9 215 215 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.909 109.6 55.5 -64.4 -34.5 51.5 60.8 3.5 216 216 A K H X S+ 0 0 65 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.906 103.8 54.7 -60.6 -40.2 52.5 62.0 -0.0 217 217 A M H X S+ 0 0 47 -4,-1.7 4,-1.2 -3,-0.3 -1,-0.2 0.910 109.1 46.2 -59.2 -45.5 56.1 62.4 1.1 218 218 A W H <>S+ 0 0 0 -4,-1.7 5,-1.3 2,-0.2 3,-0.3 0.893 111.4 52.5 -67.8 -34.8 56.2 58.8 2.4 219 219 A L H ><5S+ 0 0 7 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.916 106.5 54.9 -64.4 -38.6 54.6 57.7 -0.9 220 220 A D H 3<5S+ 0 0 84 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 99.1 61.2 -63.8 -28.1 57.3 59.6 -2.7 221 221 A L T 3<5S- 0 0 37 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.510 124.2-100.4 -80.1 -2.0 59.9 57.6 -0.7 222 222 A G T < 5 + 0 0 18 -3,-1.7 -90,-0.2 -4,-0.3 -3,-0.2 0.668 60.4 162.7 103.8 18.2 58.6 54.4 -2.3 223 223 A V < - 0 0 1 -5,-1.3 -1,-0.2 1,-0.1 -90,-0.2 -0.377 25.8-156.6 -72.6 151.8 56.3 52.7 0.3 224 224 A D + 0 0 0 -92,-2.6 29,-0.9 1,-0.2 2,-0.3 0.499 66.4 12.1-106.9 -6.2 54.0 50.1 -1.1 225 225 A G E -de 133 253A 0 -93,-1.0 -91,-1.9 27,-0.2 2,-0.4 -0.981 57.1-144.1-166.3 160.9 51.2 50.0 1.5 226 226 A I E -de 134 254A 0 27,-1.9 29,-2.0 -2,-0.3 2,-0.6 -0.999 2.7-160.2-135.1 131.0 49.8 51.9 4.5 227 227 A R E -de 135 255A 0 -93,-2.6 -91,-2.3 -2,-0.4 2,-0.6 -0.972 21.2-148.8-110.1 117.4 48.1 50.4 7.6 228 228 A V E -de 136 256A 1 27,-2.6 29,-1.7 -2,-0.6 3,-0.5 -0.765 8.7-137.9 -94.5 125.3 46.0 53.2 9.1 229 229 A D S S+ 0 0 22 -93,-2.3 -90,-0.2 -2,-0.6 4,-0.1 -0.543 73.5 4.6 -76.7 142.2 45.7 53.0 12.9 230 230 A A > + 0 0 11 -2,-0.2 3,-2.3 27,-0.1 -1,-0.2 0.798 62.2 166.8 55.9 50.2 42.4 53.7 14.7 231 231 A V G > S+ 0 0 2 26,-1.0 3,-0.8 -3,-0.5 27,-0.2 0.769 74.5 62.2 -68.8 -19.5 40.0 54.1 11.7 232 232 A K G 3 S+ 0 0 66 25,-0.6 -1,-0.3 1,-0.2 4,-0.1 0.611 101.2 55.2 -76.3 -11.1 37.0 53.8 14.1 233 233 A H G < S+ 0 0 28 -3,-2.3 -1,-0.2 -43,-0.1 -2,-0.2 0.249 97.0 68.0-114.4 15.5 38.2 57.0 15.9 234 234 A M S < S- 0 0 4 -3,-0.8 -43,-0.1 -4,-0.2 2,-0.1 -0.928 97.2 -87.8-128.5 150.4 38.4 59.4 13.0 235 235 A P > - 0 0 8 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.379 30.4-138.4 -59.6 132.0 35.5 60.9 11.0 236 236 A F H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 103.4 56.2 -56.5 -45.8 34.6 58.6 8.0 237 237 A G H > S+ 0 0 6 402,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.878 107.9 46.6 -56.2 -41.6 34.2 61.6 5.8 238 238 A W H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 111.0 51.4 -68.2 -44.4 37.7 62.8 6.5 239 239 A Q H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.890 106.2 55.8 -62.8 -33.5 39.2 59.4 6.0 240 240 A K H X S+ 0 0 21 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.895 109.3 45.9 -66.5 -35.3 37.4 59.1 2.6 241 241 A S H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 345,-0.2 0.873 111.7 53.3 -73.8 -30.6 39.1 62.5 1.5 242 242 A F H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.929 109.8 46.7 -65.1 -46.4 42.4 61.1 2.8 243 243 A M H X S+ 0 0 2 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.912 109.7 55.1 -62.8 -36.6 42.0 57.9 0.7 244 244 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.898 104.8 53.4 -61.6 -39.9 41.1 60.1 -2.3 245 245 A T H < S+ 0 0 31 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.917 113.9 42.3 -60.8 -46.5 44.3 62.1 -1.8 246 246 A I H >X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 3,-1.3 0.964 117.5 45.1 -65.2 -51.4 46.4 58.8 -1.9 247 247 A N H 3< S+ 0 0 3 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.862 114.3 47.7 -68.8 -30.7 44.5 57.2 -4.7 248 248 A N T 3< S+ 0 0 26 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.527 123.0 36.0 -85.5 -3.7 44.4 60.3 -6.9 249 249 A Y T <4 S- 0 0 89 -3,-1.3 -2,-0.2 -4,-0.4 -3,-0.2 0.808 141.2 -22.8-110.2 -65.9 48.1 60.8 -6.3 250 250 A K S < S- 0 0 92 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.1 -0.673 71.7-144.1-150.8 85.7 49.9 57.4 -6.1 251 251 A P + 0 0 16 0, 0.0 2,-0.3 0, 0.0 -242,-0.1 -0.305 27.1 168.2 -61.2 130.9 47.5 54.6 -5.1 252 252 A V - 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