==== 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 08-MAR-01 1I75 . COMPND 2 MOLECULE: CYCLODEXTRIN GLUCANOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR R.KANAI,K.HAGA,K.YAMANE,K.HARATA . 1372 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 885 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 245 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 . 1 0.1 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 . 106 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 3 3 2 0 0 6 0 2 1 4 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 6 3 7 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 6 0 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 . 6 4 8 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 51 0, 0.0 2,-0.1 0, 0.0 546,-0.1 0.000 360.0 360.0 360.0 157.3 54.4 44.0 -15.4 2 2 A P > - 0 0 52 0, 0.0 3,-1.6 0, 0.0 6,-0.1 -0.422 360.0-107.5 -75.7 164.8 52.6 40.8 -14.1 3 3 A D T 3 S+ 0 0 2 1,-0.3 11,-0.2 516,-0.2 8,-0.1 0.816 117.9 56.2 -54.4 -34.6 50.2 40.8 -11.2 4 4 A T T 3 S+ 0 0 39 395,-0.1 -1,-0.3 9,-0.1 396,-0.0 0.471 82.7 121.7 -82.3 -2.4 52.9 39.1 -8.9 5 5 A S S X S- 0 0 27 -3,-1.6 3,-1.5 1,-0.1 0, 0.0 -0.301 70.9-128.7 -63.0 148.7 55.4 41.8 -9.5 6 6 A V T 3 S+ 0 0 24 1,-0.3 -1,-0.1 120,-0.1 -3,-0.0 0.765 107.6 67.4 -67.6 -21.4 56.9 43.7 -6.6 7 7 A S T 3 S+ 0 0 73 1,-0.1 2,-1.7 -5,-0.1 -1,-0.3 0.610 72.0 100.0 -80.8 -1.2 56.0 46.9 -8.5 8 8 A N < + 0 0 3 -3,-1.5 3,-0.2 1,-0.2 -1,-0.1 -0.578 41.3 162.8 -81.5 87.2 52.3 46.2 -8.0 9 9 A K + 0 0 53 -2,-1.7 244,-2.4 1,-0.2 -1,-0.2 0.594 63.6 65.7 -79.5 -13.0 51.7 48.5 -5.1 10 10 A Q S S+ 0 0 28 242,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.874 102.5 31.8 -83.4 -32.6 47.9 48.4 -5.7 11 11 A N + 0 0 3 -3,-0.2 -1,-0.2 -8,-0.1 3,-0.1 -0.987 49.8 180.0-134.9 136.3 46.9 44.8 -4.9 12 12 A F > + 0 0 0 -2,-0.4 3,-1.9 306,-0.2 -1,-0.1 0.196 48.3 111.5-119.3 11.1 48.5 42.5 -2.4 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 -9,-0.1 0.783 81.2 54.7 -63.4 -22.3 46.4 39.2 -2.6 14 14 A T T 3 S+ 0 0 3 -11,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.498 101.5 83.2 -85.3 3.7 49.5 37.4 -4.2 15 15 A D < - 0 0 1 -3,-1.9 2,-0.4 383,-0.1 56,-0.1 -0.584 66.1-145.5-105.2 159.3 51.7 38.5 -1.1 16 16 A V - 0 0 2 -2,-0.2 56,-2.2 54,-0.2 57,-1.2 -1.000 24.1-146.8-122.8 124.2 52.3 37.2 2.4 17 17 A I E -ab 73 357A 0 339,-2.8 341,-2.7 -2,-0.4 2,-0.5 -0.726 5.7-157.1 -91.2 136.7 52.9 40.1 4.9 18 18 A Y E -ab 74 358A 0 55,-1.9 57,-2.8 -2,-0.3 2,-0.7 -0.988 16.4-144.8-113.3 116.8 55.3 39.7 7.8 19 19 A Q E -ab 75 359A 4 339,-3.1 341,-2.6 -2,-0.5 2,-0.4 -0.782 18.9-168.1 -91.0 119.8 54.3 42.2 10.5 20 20 A I - 0 0 1 55,-3.2 2,-1.0 -2,-0.7 57,-0.4 -0.868 26.6-150.3-111.8 128.4 57.3 43.6 12.4 21 21 A F > - 0 0 3 -2,-0.4 3,-2.2 1,-0.2 4,-0.5 -0.891 28.5-147.9 -85.4 105.5 57.5 45.6 15.6 22 22 A T G >> S+ 0 0 0 -2,-1.0 3,-1.1 1,-0.3 4,-0.5 0.857 91.1 53.1 -51.0 -37.3 60.7 47.3 14.4 23 23 A D G 34 S+ 0 0 2 74,-0.5 29,-2.0 1,-0.2 -1,-0.3 0.739 111.1 46.7 -69.6 -21.2 62.1 47.7 18.0 24 24 A R G <4 S+ 0 0 0 -3,-2.2 354,-2.2 27,-0.1 -1,-0.2 0.304 102.3 62.9-108.8 9.2 61.6 44.0 18.7 25 25 A F T <4 S- 0 0 5 -3,-1.1 2,-0.4 -4,-0.5 -2,-0.1 0.854 109.2 -20.1-103.8 -77.9 63.1 42.3 15.7 26 26 A S < - 0 0 26 -4,-0.5 27,-2.4 27,-0.3 2,-1.3 -0.967 41.6-144.4-143.9 131.3 66.8 43.1 15.2 27 27 A D + 0 0 53 -2,-0.4 25,-0.2 25,-0.3 27,-0.1 -0.678 31.7 162.4 -82.1 89.5 69.2 45.7 16.5 28 28 A G S S+ 0 0 23 -2,-1.3 -1,-0.2 1,-0.2 24,-0.1 0.597 70.2 39.6 -84.9 -12.3 71.4 46.1 13.4 29 29 A N > - 0 0 52 22,-0.4 3,-0.7 -3,-0.1 -1,-0.2 -0.873 58.3-179.4-140.6 98.8 72.8 49.5 14.5 30 30 A P G > S+ 0 0 89 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.767 78.6 72.0 -68.2 -22.6 73.6 49.9 18.2 31 31 A A G 3 S+ 0 0 92 1,-0.3 -2,-0.0 0, 0.0 80,-0.0 0.738 96.1 51.5 -65.3 -24.5 74.8 53.6 17.7 32 32 A N G < S+ 0 0 26 -3,-0.7 -1,-0.3 19,-0.1 81,-0.1 0.340 82.6 122.8 -92.8 6.9 71.2 54.7 17.1 33 33 A N < - 0 0 28 -3,-1.6 6,-0.1 1,-0.1 78,-0.1 -0.511 69.3-112.5 -71.2 132.9 69.9 53.1 20.3 34 34 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.163 38.7-133.4 -48.0 152.5 68.1 55.5 22.8 35 35 A T > - 0 0 121 3,-0.1 3,-1.5 5,-0.0 14,-0.1 -0.702 49.9 -4.2-114.5 165.6 70.1 56.0 26.0 36 36 A G G > S+ 0 0 62 1,-0.3 3,-1.8 -2,-0.2 0, 0.0 -0.187 124.1 3.6 69.7-133.7 69.4 56.0 29.7 37 37 A A G 3 S+ 0 0 61 1,-0.3 -1,-0.3 3,-0.0 56,-0.0 0.656 127.6 61.1 -64.2 -18.8 66.0 55.5 31.1 38 38 A A G < S+ 0 0 13 -3,-1.5 11,-2.6 10,-0.1 2,-0.4 0.548 98.0 69.7 -84.8 -7.3 64.5 55.0 27.6 39 39 A F B < +g 49 0B 57 -3,-1.8 2,-0.3 9,-0.2 11,-0.2 -0.907 45.1 176.6-127.2 139.2 66.5 51.9 26.8 40 40 A D > - 0 0 27 9,-3.2 3,-1.7 -2,-0.4 8,-0.1 -0.809 6.2-173.0-138.5 98.1 66.7 48.4 28.0 41 41 A G T 3 S+ 0 0 39 -2,-0.3 -1,-0.1 1,-0.3 9,-0.1 0.796 88.4 54.5 -61.2 -29.7 69.2 46.3 26.1 42 42 A S T 3 S- 0 0 71 1,-0.0 -1,-0.3 3,-0.0 8,-0.1 0.632 98.1-142.3 -79.1 -11.6 68.0 43.1 27.8 43 43 A a < + 0 0 12 -3,-1.7 334,-0.4 6,-0.2 3,-0.1 0.905 62.4 126.8 49.6 44.3 64.4 43.8 26.6 44 44 A T + 0 0 114 1,-0.2 2,-1.0 332,-0.1 -1,-0.1 0.676 63.3 62.0 -96.4 -22.3 62.9 42.5 29.9 45 45 A N S > S- 0 0 55 1,-0.1 3,-1.6 4,-0.1 -1,-0.2 -0.860 77.7-164.6 -99.6 99.6 60.9 45.8 30.5 46 46 A L T 3 S+ 0 0 25 -2,-1.0 -1,-0.1 1,-0.3 4,-0.1 0.314 77.7 67.5 -72.3 10.4 58.8 45.5 27.4 47 47 A R T 3 S+ 0 0 88 46,-0.1 48,-2.3 2,-0.1 50,-0.4 0.407 92.3 72.8-105.9 -0.1 57.7 49.2 27.6 48 48 A L S < S- 0 0 16 -3,-1.6 2,-0.4 46,-0.2 -9,-0.2 -0.535 98.1 -83.5-107.2 168.3 61.2 50.5 26.8 49 49 A Y B -g 39 0B 15 -11,-2.6 -9,-3.2 -2,-0.2 -6,-0.2 -0.646 33.6-174.1 -72.8 122.7 63.3 50.6 23.7 50 50 A a - 0 0 0 -2,-0.4 -1,-0.2 -11,-0.2 -23,-0.1 0.574 48.9-106.8 -88.9 -18.7 65.1 47.3 23.1 51 51 A G + 0 0 2 1,-0.3 -22,-0.4 -19,-0.1 -27,-0.1 0.343 61.6 151.2 117.9 -9.0 67.1 48.6 20.0 52 52 A G + 0 0 3 -29,-2.0 -25,-0.3 -25,-0.2 2,-0.3 -0.187 21.5 164.3 -56.5 143.1 65.6 47.0 16.9 53 53 A D >> - 0 0 0 -27,-2.4 4,-1.3 1,-0.1 3,-0.5 -0.903 52.4 -82.5-153.9-177.5 65.9 49.1 13.7 54 54 A W H 3> S+ 0 0 0 58,-2.5 4,-2.5 -2,-0.3 5,-0.2 0.861 121.2 58.8 -70.4 -31.6 65.7 49.4 10.0 55 55 A Q H 3> S+ 0 0 56 57,-0.5 4,-2.5 1,-0.2 -1,-0.3 0.883 102.8 54.6 -61.5 -32.4 69.3 48.1 9.6 56 56 A G H <> S+ 0 0 0 -3,-0.5 4,-2.0 -30,-0.5 -1,-0.2 0.893 109.0 46.3 -69.8 -39.4 68.3 44.9 11.4 57 57 A I H X S+ 0 0 0 -4,-1.3 4,-1.6 -31,-0.2 -2,-0.2 0.935 111.0 52.7 -67.1 -46.4 65.4 44.2 9.0 58 58 A I H >X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 3,-0.5 0.932 110.5 49.8 -50.9 -47.4 67.8 45.0 6.0 59 59 A N H 3X S+ 0 0 65 -4,-2.5 4,-2.7 1,-0.3 6,-0.2 0.905 110.1 48.7 -61.8 -40.2 70.2 42.4 7.5 60 60 A K H 3<>S+ 0 0 28 -4,-2.0 6,-2.0 2,-0.2 5,-0.5 0.685 112.1 48.2 -77.7 -17.6 67.5 39.8 7.9 61 61 A I H X<5S+ 0 0 0 -4,-1.6 3,-1.4 -3,-0.5 6,-0.4 0.920 114.7 48.5 -75.8 -48.3 66.4 40.3 4.2 62 62 A N H 3<5S+ 0 0 91 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.896 108.7 49.0 -55.4 -50.2 70.0 40.1 3.1 63 63 A D T 3<5S- 0 0 97 -4,-2.7 -1,-0.3 -5,-0.2 -3,-0.1 0.362 115.3-109.9 -80.4 5.5 71.0 36.9 5.0 64 64 A G T <>5S+ 0 0 24 -3,-1.4 4,-1.8 -5,-0.1 5,-0.2 0.457 82.5 121.7 85.9 3.6 67.9 35.0 3.7 65 65 A Y H >4>S+ 0 0 0 -6,-2.0 5,-1.4 2,-0.2 3,-0.7 0.932 122.9 46.7 -76.1 -45.8 62.8 36.6 5.6 67 67 A T H >45S+ 0 0 53 -7,-0.4 3,-1.2 -6,-0.4 -2,-0.2 0.822 106.3 61.1 -69.6 -24.8 63.1 35.6 1.9 68 68 A G H 3<5S+ 0 0 28 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.774 100.7 54.4 -72.8 -25.6 63.7 31.9 3.0 69 69 A M T <<5S- 0 0 0 -3,-0.7 -1,-0.3 -4,-0.6 326,-0.3 0.532 118.3-113.3 -81.6 -12.1 60.3 31.9 4.6 70 70 A G T < 5 + 0 0 18 -3,-1.2 -54,-0.2 -4,-0.3 -3,-0.2 0.593 58.8 160.3 89.0 13.0 58.6 33.1 1.3 71 71 A I < + 0 0 5 -5,-1.4 -1,-0.2 1,-0.1 -54,-0.2 -0.416 17.6 178.3 -67.2 137.0 57.6 36.5 2.8 72 72 A T + 0 0 21 -56,-2.2 59,-2.3 1,-0.3 2,-0.3 0.298 63.7 31.4-126.1 8.4 56.9 39.1 0.1 73 73 A A E -ac 17 131A 0 -57,-1.2 -55,-1.9 57,-0.3 2,-0.4 -0.956 62.9-154.2-156.4 141.3 55.8 42.1 2.0 74 74 A I E -ac 18 132A 0 57,-2.6 59,-3.0 -2,-0.3 2,-0.5 -0.928 5.3-153.2-117.0 148.5 56.8 43.5 5.5 75 75 A W E -ac 19 133A 2 -57,-2.8 -55,-3.2 -2,-0.4 2,-0.2 -0.963 24.0-174.3-120.0 117.5 54.7 45.7 7.6 76 76 A I E - c 0 134A 1 57,-2.4 59,-1.5 -2,-0.5 -55,-0.1 -0.640 29.9 -81.4-112.6 167.4 56.7 47.9 10.0 77 77 A S - 0 0 1 -57,-0.4 22,-0.1 -2,-0.2 -1,-0.1 -0.173 67.8 -73.3 -61.7 155.8 56.1 50.4 12.8 78 78 A Q - 0 0 0 20,-0.5 -1,-0.1 56,-0.2 58,-0.1 -0.278 44.9-148.6 -58.2 129.7 55.2 53.9 12.0 79 79 A P + 0 0 0 0, 0.0 30,-1.9 0, 0.0 -1,-0.1 0.535 57.0 108.4 -83.9 -7.1 58.4 55.6 10.7 80 80 A V E S-H 108 0C 0 28,-0.3 28,-0.3 19,-0.2 25,-0.2 -0.196 81.7 -84.4 -79.5 156.6 57.9 59.1 11.8 81 81 A E E -H 104 0C 13 26,-1.6 22,-2.8 23,-1.3 23,-2.1 -0.422 49.8-162.9 -59.1 129.4 59.7 61.0 14.6 82 82 A N E -H 102 0C 2 20,-0.3 20,-0.2 21,-0.2 60,-0.1 -0.598 30.0 -76.6-105.3 169.2 58.1 60.2 17.9 83 83 A I - 0 0 2 18,-2.0 13,-0.4 -2,-0.2 -1,-0.2 -0.274 30.2-143.9 -65.3 151.6 58.3 62.0 21.3 84 84 A Y + 0 0 120 11,-0.1 -1,-0.1 -3,-0.1 -46,-0.0 0.525 58.4 119.9 -93.5 -7.3 61.5 61.4 23.3 85 85 A S - 0 0 26 1,-0.1 2,-0.7 10,-0.1 11,-0.3 -0.213 57.6-142.0 -66.6 145.1 59.9 61.4 26.8 86 86 A V - 0 0 49 9,-0.1 2,-0.5 66,-0.1 9,-0.2 -0.940 26.3-155.9-101.8 116.2 60.0 58.5 29.2 87 87 A I E -K 94 0D 4 7,-2.8 7,-2.0 -2,-0.7 2,-0.7 -0.861 6.3-145.8 -99.4 131.6 56.5 58.6 30.7 88 88 A N E -K 93 0D 92 -2,-0.5 2,-0.7 5,-0.2 5,-0.3 -0.865 15.8-173.8 -96.2 113.4 56.0 57.1 34.1 89 89 A Y E > S-K 92 0D 71 3,-3.4 3,-1.3 -2,-0.7 -2,-0.0 -0.914 72.6 -34.8-110.5 105.4 52.5 55.6 34.3 90 90 A S T 3 S- 0 0 135 -2,-0.7 2,-0.5 1,-0.3 -1,-0.1 0.894 127.3 -39.8 51.3 48.0 51.9 54.4 37.9 91 91 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 -0.378 118.1 102.9 101.4 -50.6 55.4 53.4 38.5 92 92 A V E < -K 89 0D 40 -3,-1.3 -3,-3.4 -2,-0.5 2,-0.2 -0.402 65.6-134.7 -79.8 133.5 56.2 51.9 35.1 93 93 A N E -K 88 0D 53 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.2 -0.600 23.7-167.3 -79.0 149.5 58.3 53.9 32.6 94 94 A N E -K 87 0D 25 -7,-2.0 -7,-2.8 -2,-0.2 2,-0.3 -0.993 7.7-174.3-140.0 137.3 57.1 53.9 29.1 95 95 A T - 0 0 2 -48,-2.3 3,-0.4 -2,-0.3 2,-0.3 -0.814 42.1-100.5-125.5 176.2 58.6 55.1 25.8 96 96 A A > + 0 0 1 -13,-0.4 3,-2.4 -11,-0.3 5,-0.2 -0.009 69.9 134.1 -82.2 35.1 57.5 55.5 22.1 97 97 A Y T 3 + 0 0 4 -50,-0.4 -74,-0.5 -2,-0.3 -1,-0.2 0.755 68.4 58.2 -57.5 -29.5 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 0.463 106.8-125.9 -80.6 -11.1 55.9 51.2 19.2 99 99 A G S < S+ 0 0 0 -3,-2.4 -19,-0.2 -22,-0.1 -2,-0.1 0.489 77.3 115.4 83.9 -3.5 56.0 54.3 17.0 100 100 A Y + 0 0 28 1,-0.2 2,-0.8 36,-0.1 40,-0.1 0.499 54.9 75.7 -77.9 -7.0 52.5 55.4 17.8 101 101 A W S S- 0 0 21 -5,-0.2 -18,-2.0 -18,-0.1 41,-0.2 -0.645 71.1-170.8-107.8 76.0 53.3 58.8 19.6 102 102 A A E +H 82 0C 0 39,-0.8 -20,-0.3 -2,-0.8 3,-0.1 -0.251 29.2 165.2 -69.5 148.0 54.2 61.1 16.7 103 103 A R E S+ 0 0 40 -22,-2.8 55,-2.4 1,-0.2 2,-0.3 0.504 80.6 22.0-127.0 -27.8 55.7 64.6 17.0 104 104 A D E > -Hi 81 158C 0 -23,-2.1 -23,-1.3 53,-0.2 3,-1.0 -0.873 55.0-170.4-145.8 112.0 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 0.422 87.4 59.4 -78.1 -0.6 55.2 63.1 10.5 106 106 A K E 3 S+ 0 0 26 52,-0.2 2,-0.3 -25,-0.1 -1,-0.2 0.411 100.7 56.8-107.7 4.3 57.8 64.4 8.0 107 107 A K E < S- 0 0 79 -3,-1.0 -26,-1.6 -26,-0.1 2,-0.1 -0.835 83.8-106.4-127.3 164.9 60.9 63.1 9.8 108 108 A T E -H 80 0C 17 -28,-0.3 -28,-0.3 -2,-0.3 -27,-0.1 -0.446 29.9-108.9 -91.2 161.3 62.1 59.6 10.8 109 109 A N >> - 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0 0 0 -56,-2.5 -57,-1.6 -2,-0.4 2,-0.4 -0.382 33.8-136.0 -65.7 110.2 46.2 64.5 22.0 199 199 A D E -L 140 0E 1 -2,-0.5 -23,-2.4 -23,-0.4 -59,-0.3 -0.541 13.5-131.7 -72.3 121.5 43.4 64.2 19.4 200 200 A L B -M 175 0F 0 -61,-2.2 2,-0.9 -2,-0.4 -25,-0.3 -0.421 10.5-133.0 -75.4 145.8 44.1 66.0 16.1 201 201 A N > - 0 0 18 -27,-2.8 3,-1.5 1,-0.1 6,-0.3 -0.814 19.7-175.2 -98.8 99.9 41.4 68.2 14.7 202 202 A H T 3 S+ 0 0 8 -2,-0.9 -1,-0.1 1,-0.3 386,-0.1 0.581 79.6 69.2 -76.5 -8.0 41.1 67.3 11.0 203 203 A N T 3 S+ 0 0 32 474,-0.1 2,-0.7 4,-0.1 -1,-0.3 0.565 78.3 93.8 -81.1 -11.6 38.5 70.1 10.4 204 204 A N S <> S- 0 0 27 -3,-1.5 4,-2.4 1,-0.2 3,-0.5 -0.756 78.6-142.2 -79.6 120.7 41.4 72.5 11.0 205 205 A S H > S+ 0 0 49 -2,-0.7 4,-2.7 1,-0.2 5,-0.3 0.844 98.8 54.9 -54.2 -36.3 42.7 73.2 7.4 206 206 A S H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 110.6 45.2 -64.8 -41.4 46.4 73.3 8.6 207 207 A V H > S+ 0 0 2 -3,-0.5 4,-2.4 -6,-0.3 5,-0.3 0.939 114.1 49.7 -68.3 -44.9 46.0 69.8 10.1 208 208 A D H X S+ 0 0 3 -4,-2.4 4,-1.6 -7,-0.3 -2,-0.2 0.942 115.8 41.0 -56.5 -53.9 44.2 68.5 7.0 209 209 A V H X S+ 0 0 53 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.891 113.7 54.8 -64.4 -39.2 46.7 69.8 4.5 210 210 A Y H X S+ 0 0 8 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.919 110.3 43.8 -62.6 -48.6 49.7 68.8 6.8 211 211 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.832 114.3 50.6 -68.9 -30.4 48.7 65.2 7.1 212 212 A K H X S+ 0 0 16 -4,-1.6 4,-1.7 -5,-0.3 -2,-0.2 0.891 112.2 46.9 -73.9 -36.9 47.9 64.9 3.4 213 213 A D H X S+ 0 0 70 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.876 111.1 53.4 -67.1 -37.7 51.3 66.5 2.5 214 214 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.931 107.2 49.2 -66.0 -43.5 53.0 64.1 4.9 215 215 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.911 108.6 54.0 -67.5 -35.6 51.5 60.9 3.4 216 216 A K H X S+ 0 0 63 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.890 104.3 56.1 -62.1 -38.5 52.5 62.0 -0.1 217 217 A M H X S+ 0 0 42 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.909 108.2 45.9 -58.1 -47.4 56.1 62.4 1.1 218 218 A W H <>S+ 0 0 0 -4,-1.6 5,-1.4 2,-0.2 3,-0.5 0.877 112.2 52.6 -66.5 -32.4 56.2 58.8 2.3 219 219 A L H ><5S+ 0 0 7 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.925 106.1 54.0 -68.4 -40.2 54.6 57.7 -1.0 220 220 A D H 3<5S+ 0 0 81 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.757 100.0 61.8 -62.1 -26.1 57.3 59.6 -2.8 221 221 A L T 3<5S- 0 0 42 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.359 124.1-100.8 -82.2 3.8 59.9 57.6 -0.8 222 222 A G T < 5 + 0 0 18 -3,-1.9 -90,-0.3 1,-0.2 -3,-0.2 0.649 61.4 161.4 96.3 13.0 58.6 54.4 -2.4 223 223 A V < - 0 0 1 -5,-1.4 -1,-0.2 1,-0.1 -90,-0.2 -0.339 25.6-157.2 -66.4 152.8 56.4 52.8 0.2 224 224 A D + 0 0 0 -92,-2.6 29,-1.0 1,-0.2 2,-0.3 0.528 64.9 12.5-110.0 -8.9 54.0 50.2 -1.2 225 225 A G E -de 133 253A 0 -93,-1.1 -91,-1.8 27,-0.2 2,-0.4 -0.978 58.8-144.3-160.7 165.3 51.2 50.0 1.3 226 226 A I E -de 134 254A 0 27,-2.1 29,-2.3 -2,-0.3 2,-0.6 -1.000 1.0-159.9-139.3 132.8 49.8 51.9 4.4 227 227 A R E -de 135 255A 0 -93,-2.7 -91,-2.3 -2,-0.4 2,-0.5 -0.968 20.7-148.3-113.2 118.9 48.1 50.5 7.5 228 228 A V E -de 136 256A 0 27,-2.5 29,-1.7 -2,-0.6 3,-0.5 -0.711 8.9-136.2 -93.3 126.4 46.1 53.2 9.1 229 229 A D S S+ 0 0 23 -93,-2.4 -90,-0.2 -2,-0.5 4,-0.1 -0.584 75.0 3.0 -78.7 143.3 45.7 53.2 12.9 230 230 A A > + 0 0 11 -2,-0.2 3,-2.2 27,-0.2 -1,-0.2 0.800 63.6 166.4 54.5 48.7 42.4 53.8 14.7 231 231 A V G > S+ 0 0 0 26,-0.9 3,-0.9 -3,-0.5 27,-0.1 0.777 74.5 62.9 -62.3 -25.9 40.1 54.2 11.7 232 232 A K G 3 S+ 0 0 64 25,-0.6 -1,-0.3 1,-0.2 4,-0.1 0.586 102.7 53.5 -68.4 -11.3 37.1 53.8 14.1 233 233 A H G < S+ 0 0 28 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.205 95.6 70.1-117.7 14.6 38.3 57.1 15.8 234 234 A M S < S- 0 0 0 -3,-0.9 2,-0.3 -4,-0.1 -43,-0.1 -0.886 97.5 -86.1-129.5 152.6 38.6 59.5 12.9 235 235 A P > - 0 0 7 0, 0.0 4,-2.5 0, 0.0 3,-0.2 -0.515 32.8-142.5 -60.9 129.4 35.7 61.1 10.9 236 236 A F H > S+ 0 0 45 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.874 101.1 55.2 -65.4 -33.5 34.8 58.7 8.1 237 237 A G H > S+ 0 0 13 402,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.903 109.2 47.2 -67.5 -35.6 34.2 61.6 5.7 238 238 A W H > S+ 0 0 2 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.930 110.6 52.0 -71.3 -43.2 37.7 62.9 6.4 239 239 A Q H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.861 106.2 54.9 -62.4 -32.0 39.3 59.5 5.9 240 240 A K H X S+ 0 0 32 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.915 109.5 45.9 -65.7 -38.2 37.5 59.2 2.5 241 241 A S H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 345,-0.2 0.845 111.8 53.5 -71.7 -29.9 39.1 62.5 1.4 242 242 A F H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 3,-0.2 0.956 110.0 46.3 -65.3 -47.9 42.4 61.2 2.8 243 243 A M H X S+ 0 0 2 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.908 110.5 53.4 -63.1 -39.8 42.0 58.0 0.7 244 244 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.845 106.3 54.0 -61.4 -32.1 41.1 60.1 -2.4 245 245 A T H X S+ 0 0 25 -4,-1.5 4,-0.6 -3,-0.2 5,-0.2 0.950 114.0 40.6 -66.5 -46.2 44.3 62.1 -1.8 246 246 A I H >X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-1.2 0.968 117.9 47.4 -64.0 -52.6 46.4 58.9 -1.9 247 247 A N H 3< S+ 0 0 3 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.821 113.0 46.2 -65.0 -31.8 44.4 57.3 -4.8 248 248 A N H 3< S+ 0 0 27 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.519 122.2 38.0 -87.8 -8.1 44.5 60.3 -7.0 249 249 A Y H << S- 0 0 96 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.2 0.805 140.5 -22.4-103.7 -66.9 48.2 60.9 -6.4 250 250 A K S < S- 0 0 92 -4,-2.0 -2,-0.2 -5,-0.2 2,-0.1 -0.745 72.9-143.6-147.6 89.8 50.0 57.5 -6.2 251 251 A P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.367 27.7 167.7 -65.5 129.3 47.5 54.7 -5.3 252 252 A V - 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