==== 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 1V3M . 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) . 43531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 902 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 6.9 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 . 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 . 118 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 14.9 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 2 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 6 2 8 0 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 PARALLEL BRIDGES PER LADDER . 12 2 12 10 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 . 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 51 0, 0.0 2,-0.1 0, 0.0 546,-0.1 0.000 360.0 360.0 360.0 154.2 54.2 43.9 -15.3 2 2 A P > - 0 0 49 0, 0.0 3,-1.9 0, 0.0 6,-0.1 -0.441 360.0-106.3 -72.7 164.6 52.4 40.8 -14.0 3 3 A D T 3 S+ 0 0 1 1,-0.3 11,-0.2 516,-0.2 8,-0.1 0.809 120.5 56.2 -56.5 -34.2 50.0 40.8 -11.2 4 4 A T T 3 S+ 0 0 37 395,-0.1 -1,-0.3 9,-0.1 396,-0.0 0.483 81.7 122.6 -81.3 -3.4 52.6 39.1 -9.0 5 5 A S S X S- 0 0 25 -3,-1.9 3,-1.4 1,-0.1 0, 0.0 -0.241 70.5-127.6 -61.2 150.2 55.2 41.8 -9.6 6 6 A V T 3 S+ 0 0 24 1,-0.3 -1,-0.1 120,-0.1 121,-0.0 0.750 109.2 64.8 -66.2 -24.0 56.7 43.7 -6.6 7 7 A S T 3 S+ 0 0 73 -5,-0.1 2,-1.6 1,-0.1 -1,-0.3 0.537 71.3 100.7 -82.8 0.2 55.7 46.9 -8.4 8 8 A N < + 0 0 2 -3,-1.4 -1,-0.1 1,-0.2 3,-0.1 -0.623 42.4 164.2 -81.2 91.4 52.0 46.1 -8.1 9 9 A K + 0 0 52 -2,-1.6 244,-2.7 1,-0.2 -1,-0.2 0.562 63.0 66.0 -83.7 -8.4 51.4 48.4 -5.2 10 10 A Q S S+ 0 0 25 242,-0.3 2,-0.4 1,-0.2 244,-0.2 0.877 102.6 34.1 -87.8 -31.6 47.6 48.3 -5.7 11 11 A N + 0 0 3 -8,-0.1 -1,-0.2 494,-0.1 3,-0.1 -0.978 48.6 177.7-132.5 136.9 46.7 44.7 -4.9 12 12 A F > + 0 0 0 -2,-0.4 3,-2.6 306,-0.2 -1,-0.1 0.269 48.3 110.7-118.3 7.6 48.3 42.4 -2.4 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 -9,-0.1 0.737 82.9 53.9 -58.7 -21.6 46.2 39.1 -2.6 14 14 A T T 3 S+ 0 0 3 -11,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.434 101.9 84.4 -90.3 4.7 49.3 37.3 -4.2 15 15 A D < - 0 0 0 -3,-2.6 2,-0.5 383,-0.1 56,-0.1 -0.598 65.6-146.2-105.2 160.3 51.4 38.5 -1.2 16 16 A V - 0 0 1 -2,-0.2 56,-2.2 54,-0.2 57,-1.5 -0.994 23.8-148.2-122.1 122.9 52.1 37.2 2.2 17 17 A I E -ab 73 357A 0 339,-2.9 341,-3.0 -2,-0.5 2,-0.6 -0.702 5.1-155.8 -88.3 136.7 52.7 40.1 4.7 18 18 A Y E -ab 74 358A 0 55,-2.1 57,-2.7 -2,-0.3 2,-0.7 -0.976 16.5-144.1-114.6 114.6 55.0 39.7 7.7 19 19 A Q E -ab 75 359A 4 339,-3.1 341,-3.0 -2,-0.6 2,-0.5 -0.777 20.6-169.4 -87.0 116.2 54.0 42.1 10.3 20 20 A I E -a 76 0A 2 55,-3.2 2,-1.1 -2,-0.7 57,-0.5 -0.903 26.8-151.8-112.2 122.7 57.0 43.5 12.1 21 21 A F > - 0 0 2 -2,-0.5 3,-2.1 1,-0.2 4,-0.4 -0.869 28.7-147.2 -80.6 101.8 57.1 45.6 15.3 22 22 A T G >> S+ 0 0 0 -2,-1.1 3,-1.3 1,-0.3 4,-0.6 0.856 91.1 52.7 -43.4 -41.2 60.4 47.3 14.2 23 23 A D G 34 S+ 0 0 1 74,-0.5 29,-2.1 1,-0.3 -1,-0.3 0.736 110.3 47.4 -69.4 -23.7 61.7 47.6 17.7 24 24 A R G <4 S+ 0 0 0 -3,-2.1 354,-2.1 27,-0.1 -1,-0.3 0.271 103.2 63.1-103.6 6.8 61.2 44.0 18.5 25 25 A F T <4 S- 0 0 5 -3,-1.3 2,-0.4 -4,-0.4 -2,-0.1 0.867 109.2 -21.1-105.1 -76.0 62.7 42.4 15.4 26 26 A S < - 0 0 23 -4,-0.6 27,-2.5 27,-0.3 2,-1.3 -0.965 42.8-144.1-145.2 129.2 66.5 43.0 14.9 27 27 A D + 0 0 51 -2,-0.4 25,-0.2 25,-0.3 27,-0.1 -0.728 32.1 163.4 -84.2 94.5 68.7 45.7 16.2 28 28 A G S S+ 0 0 25 -2,-1.3 -1,-0.2 1,-0.3 24,-0.1 0.601 70.3 38.4 -87.8 -17.7 70.9 46.1 13.2 29 29 A N > - 0 0 52 22,-0.4 3,-0.6 -3,-0.1 -1,-0.3 -0.910 60.6-178.5-136.0 98.9 72.4 49.5 14.2 30 30 A P G > S+ 0 0 85 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.759 78.0 71.9 -68.3 -20.5 73.1 49.8 18.0 31 31 A A G 3 S+ 0 0 94 1,-0.3 -2,-0.0 0, 0.0 80,-0.0 0.736 94.6 53.2 -70.4 -21.6 74.3 53.4 17.5 32 32 A N G < S+ 0 0 25 -3,-0.6 -1,-0.3 19,-0.1 81,-0.1 0.348 83.4 122.0 -91.6 9.6 70.7 54.6 16.9 33 33 A N < - 0 0 26 -3,-1.6 6,-0.1 1,-0.1 78,-0.0 -0.480 69.9-111.1 -73.7 138.0 69.4 53.0 20.1 34 34 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.162 37.7-147.2 -48.2 154.6 67.7 55.3 22.6 35 35 A T > + 0 0 120 5,-0.0 3,-1.3 4,-0.0 14,-0.1 -0.757 50.6 16.1-123.7 172.7 69.7 55.7 25.8 36 36 A G G > S- 0 0 65 -2,-0.3 3,-1.7 1,-0.2 0, 0.0 -0.244 124.8 -8.9 72.7-144.9 68.9 56.2 29.4 37 37 A A G 3 S+ 0 0 58 1,-0.3 -1,-0.2 3,-0.0 56,-0.0 0.567 129.0 65.1 -66.8 -14.2 65.4 55.4 30.8 38 38 A A G < S+ 0 0 12 -3,-1.3 11,-2.8 10,-0.1 2,-0.4 0.579 95.1 70.5 -83.4 -10.9 64.0 55.0 27.3 39 39 A F B < +g 49 0B 56 -3,-1.7 2,-0.3 9,-0.2 11,-0.2 -0.880 44.4 175.3-122.2 139.8 66.1 51.9 26.5 40 40 A D > - 0 0 28 9,-3.3 3,-1.8 -2,-0.4 5,-0.1 -0.786 7.2-172.4-136.7 96.5 66.2 48.4 27.6 41 41 A G T 3 S+ 0 0 38 -2,-0.3 -1,-0.1 1,-0.3 9,-0.1 0.791 88.4 54.8 -60.8 -26.3 68.7 46.3 25.8 42 42 A S T 3 S- 0 0 69 -3,-0.1 -1,-0.3 1,-0.0 8,-0.1 0.664 97.6-142.9 -80.4 -13.6 67.5 43.1 27.4 43 43 A a < + 0 0 11 -3,-1.8 334,-0.4 6,-0.2 3,-0.1 0.924 63.4 125.1 52.1 43.1 64.0 43.9 26.2 44 44 A T + 0 0 113 1,-0.2 2,-1.0 332,-0.1 -1,-0.1 0.614 62.7 65.1 -97.0 -17.2 62.5 42.5 29.4 45 45 A N S > S- 0 0 54 1,-0.1 3,-1.7 -5,-0.1 -1,-0.2 -0.868 77.9-164.4-101.0 100.7 60.7 45.7 30.1 46 46 A L T 3 S+ 0 0 25 -2,-1.0 -1,-0.1 1,-0.3 4,-0.1 0.365 78.8 63.1 -73.3 6.3 58.4 45.5 27.0 47 47 A R T 3 S+ 0 0 77 46,-0.1 48,-2.2 2,-0.1 50,-0.4 0.377 94.0 74.3-107.2 0.9 57.4 49.1 27.2 48 48 A L S < S- 0 0 15 -3,-1.7 2,-0.3 46,-0.2 -9,-0.2 -0.584 97.5 -85.5-105.6 169.1 60.9 50.4 26.6 49 49 A Y B -g 39 0B 14 -11,-2.8 -9,-3.3 -2,-0.2 -6,-0.2 -0.644 31.6-171.5 -73.3 129.3 62.9 50.5 23.4 50 50 A a - 0 0 1 -2,-0.3 -1,-0.1 -11,-0.2 -23,-0.1 0.521 48.0-108.3 -92.8 -14.2 64.8 47.2 22.8 51 51 A G + 0 0 1 1,-0.3 -22,-0.4 -19,-0.1 -27,-0.1 0.366 61.7 150.5 111.3 -7.7 66.7 48.7 19.8 52 52 A G + 0 0 2 -29,-2.1 -25,-0.3 -25,-0.2 -1,-0.3 -0.272 20.9 164.4 -63.1 146.3 65.3 47.0 16.7 53 53 A D >> - 0 0 0 -27,-2.5 4,-1.2 -30,-0.1 3,-0.6 -0.854 52.2 -81.7-152.9-178.4 65.5 49.1 13.6 54 54 A W H 3> S+ 0 0 0 58,-2.4 4,-2.3 -2,-0.3 3,-0.2 0.846 121.5 59.4 -71.4 -31.6 65.3 49.3 9.8 55 55 A Q H 3> S+ 0 0 54 57,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.878 103.4 54.7 -59.9 -31.3 68.9 48.1 9.4 56 56 A G H <> S+ 0 0 0 -3,-0.6 4,-1.7 -30,-0.5 -1,-0.2 0.854 108.0 46.6 -71.2 -37.2 67.9 44.9 11.2 57 57 A I H X S+ 0 0 0 -4,-1.2 4,-1.5 -31,-0.2 5,-0.2 0.917 110.2 54.4 -69.6 -43.7 65.0 44.2 8.8 58 58 A I H >X S+ 0 0 7 -4,-2.3 4,-3.0 1,-0.2 3,-0.5 0.929 108.8 49.7 -55.1 -42.6 67.4 44.9 5.9 59 59 A N H 3X S+ 0 0 59 -4,-2.2 4,-2.9 1,-0.3 6,-0.2 0.907 109.7 49.9 -65.5 -36.9 69.8 42.3 7.4 60 60 A K H 3<>S+ 0 0 26 -4,-1.7 6,-2.2 2,-0.2 5,-0.6 0.675 112.6 46.5 -78.9 -16.1 67.0 39.8 7.7 61 61 A I H X<5S+ 0 0 0 -4,-1.5 3,-1.5 -3,-0.5 6,-0.3 0.895 115.2 48.5 -81.4 -49.3 66.0 40.3 4.1 62 62 A N H 3<5S+ 0 0 92 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.898 109.7 49.3 -57.4 -43.6 69.6 40.1 3.0 63 63 A D T 3<5S- 0 0 92 -4,-2.9 -1,-0.3 -5,-0.2 -3,-0.1 0.304 115.1-111.3 -85.7 8.2 70.5 37.0 4.8 64 64 A G T <>5S+ 0 0 23 -3,-1.5 4,-1.8 -5,-0.1 5,-0.2 0.489 81.8 121.6 81.9 8.9 67.4 35.1 3.5 65 65 A Y H >4>S+ 0 0 0 -6,-2.2 5,-1.6 2,-0.2 3,-0.6 0.937 124.4 45.1 -79.0 -43.5 62.4 36.6 5.4 67 67 A T H >45S+ 0 0 49 -7,-0.4 3,-1.5 -6,-0.3 -2,-0.2 0.841 106.4 62.0 -71.2 -27.3 62.8 35.6 1.8 68 68 A G H 3<5S+ 0 0 29 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.823 102.5 52.5 -65.0 -28.8 63.4 32.0 2.8 69 69 A M T <<5S- 0 0 0 -4,-0.6 -1,-0.3 -3,-0.6 326,-0.3 0.546 117.5-114.7 -82.8 -10.6 60.0 32.0 4.3 70 70 A G T < 5 + 0 0 17 -3,-1.5 2,-0.2 -4,-0.3 -3,-0.2 0.676 57.9 160.3 82.7 16.3 58.4 33.2 1.1 71 71 A I < + 0 0 5 -5,-1.6 -1,-0.3 1,-0.1 -54,-0.2 -0.553 15.7 177.8 -68.4 132.3 57.3 36.5 2.7 72 72 A T + 0 0 20 -56,-2.2 59,-2.4 1,-0.2 2,-0.3 0.288 63.2 35.1-121.9 8.1 56.6 39.0 -0.1 73 73 A A E -ac 17 131A 0 -57,-1.5 -55,-2.1 57,-0.3 2,-0.4 -0.974 62.4-157.5-153.2 142.1 55.5 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 -0.925 5.7-155.4-117.3 149.8 56.6 43.4 5.3 75 75 A W E -ac 19 133A 1 -57,-2.7 -55,-3.2 -2,-0.4 2,-0.2 -0.979 23.3-172.2-126.0 115.9 54.3 45.7 7.4 76 76 A I E -ac 20 134A 1 57,-2.7 59,-1.6 -2,-0.5 -55,-0.2 -0.651 29.6 -81.0-112.8 163.9 56.4 47.8 9.8 77 77 A S - 0 0 1 -57,-0.5 22,-0.2 -2,-0.2 -1,-0.1 -0.192 69.4 -72.8 -54.3 153.1 55.8 50.2 12.7 78 78 A Q - 0 0 0 20,-0.5 -1,-0.2 56,-0.2 58,-0.1 -0.265 46.1-148.8 -55.1 126.7 54.8 53.8 11.8 79 79 A P + 0 0 0 0, 0.0 30,-2.0 0, 0.0 -1,-0.1 0.564 57.5 108.1 -81.2 -10.1 58.1 55.4 10.5 80 80 A V E S-H 108 0C 0 28,-0.3 28,-0.3 19,-0.2 25,-0.2 -0.211 82.4 -83.0 -75.9 156.4 57.5 59.0 11.6 81 81 A E E -H 104 0C 15 26,-1.6 22,-3.1 23,-1.4 23,-1.9 -0.332 50.2-162.9 -59.7 129.2 59.3 60.8 14.4 82 82 A N E -H 102 0C 1 20,-0.3 20,-0.2 21,-0.2 60,-0.1 -0.624 30.9 -76.4-106.6 169.7 57.7 60.0 17.7 83 83 A I - 0 0 2 18,-1.9 13,-0.4 -2,-0.2 -1,-0.1 -0.344 30.8-144.9 -66.0 149.1 57.9 61.8 21.1 84 84 A Y + 0 0 113 11,-0.1 -1,-0.1 2,-0.1 68,-0.0 0.558 59.1 118.6 -91.8 -13.1 61.1 61.2 23.0 85 85 A S - 0 0 25 1,-0.1 2,-0.6 10,-0.1 11,-0.3 -0.189 58.2-142.6 -56.0 142.5 59.5 61.3 26.5 86 86 A V - 0 0 49 9,-0.1 2,-0.5 66,-0.1 9,-0.2 -0.939 27.2-156.1-102.4 120.0 59.6 58.3 28.8 87 87 A I E -I 94 0D 4 7,-2.9 7,-2.2 -2,-0.6 2,-0.7 -0.889 7.8-143.2-104.7 133.8 56.1 58.5 30.4 88 88 A N E -I 93 0D 87 -2,-0.5 2,-0.7 5,-0.2 5,-0.3 -0.842 13.2-169.5 -93.6 112.0 55.5 57.0 33.8 89 89 A Y E > S-I 92 0D 72 3,-3.5 3,-1.7 -2,-0.7 -2,-0.0 -0.949 73.1 -44.7-105.0 110.6 52.0 55.4 33.9 90 90 A S T 3 S- 0 0 138 -2,-0.7 2,-0.5 1,-0.3 -1,-0.2 0.812 127.2 -29.9 29.8 61.6 51.5 54.6 37.6 91 91 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 -0.452 117.7 98.1 103.5 -56.3 54.9 53.2 38.0 92 92 A V E < -I 89 0D 52 -3,-1.7 -3,-3.5 -2,-0.5 2,-0.3 -0.401 65.6-135.0 -81.6 136.5 55.7 51.8 34.6 93 93 A N E -I 88 0D 56 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.639 24.9-166.5 -79.8 141.8 57.9 53.8 32.3 94 94 A N E -I 87 0D 13 -7,-2.2 -7,-2.9 -2,-0.3 2,-0.3 -0.988 8.2-174.7-135.6 136.8 56.6 53.9 28.7 95 95 A T - 0 0 1 -48,-2.2 3,-0.4 -2,-0.4 2,-0.2 -0.796 41.6-102.0-126.8 174.7 58.2 54.9 25.5 96 96 A A > + 0 0 0 -13,-0.4 3,-2.4 -11,-0.3 5,-0.2 -0.021 69.9 132.9 -83.1 34.7 57.1 55.4 21.9 97 97 A Y T 3 + 0 0 4 -50,-0.4 -74,-0.5 1,-0.3 -1,-0.2 0.763 68.9 59.1 -58.8 -29.1 58.8 52.0 20.8 98 98 A H T 3 S- 0 0 15 -3,-0.4 -20,-0.5 -51,-0.1 -1,-0.3 0.506 105.8-127.6 -77.9 -13.5 55.6 51.1 18.9 99 99 A G S < S+ 0 0 0 -3,-2.4 -19,-0.2 -22,-0.2 38,-0.1 0.449 76.9 114.8 82.8 -3.6 55.7 54.2 16.6 100 100 A Y + 0 0 23 1,-0.2 2,-0.7 36,-0.1 40,-0.1 0.498 55.2 73.4 -81.3 -2.1 52.1 55.3 17.5 101 101 A W S S- 0 0 21 -5,-0.2 -18,-1.9 -21,-0.1 41,-0.2 -0.661 73.0-170.6-114.1 72.7 52.9 58.6 19.3 102 102 A A E +H 82 0C 0 39,-0.7 -20,-0.3 -2,-0.7 3,-0.1 -0.197 28.9 166.5 -65.8 148.3 53.8 60.9 16.4 103 103 A R E S+ 0 0 40 -22,-3.1 55,-2.9 1,-0.2 2,-0.3 0.532 80.6 23.7-127.7 -23.7 55.3 64.3 16.7 104 104 A D E > -H 81 0C 0 -23,-1.9 -23,-1.4 53,-0.2 3,-1.2 -0.848 54.7-173.7-145.7 108.1 56.4 64.8 13.1 105 105 A F E 3 S+ 0 0 0 53,-0.5 54,-0.1 -2,-0.3 -1,-0.1 0.430 87.9 58.9 -76.4 -1.5 54.9 62.9 10.2 106 106 A K E 3 S+ 0 0 30 52,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.431 102.8 57.7-104.8 -1.0 57.4 64.3 7.8 107 107 A K E < S- 0 0 79 -3,-1.2 -26,-1.6 -26,-0.1 2,-0.1 -0.820 83.5-109.3-125.1 165.5 60.5 63.0 9.7 108 108 A T E -H 80 0C 18 -28,-0.3 -28,-0.3 -2,-0.3 -27,-0.2 -0.474 30.0-108.0 -90.3 163.1 61.7 59.5 10.7 109 109 A N >> - 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0 0 0 -56,-2.5 -57,-1.8 -2,-0.4 2,-0.5 -0.452 35.2-134.2 -64.6 109.7 46.0 64.4 21.7 199 199 A D E -J 140 0E 1 -2,-0.5 -23,-2.6 -23,-0.4 -59,-0.3 -0.587 14.5-129.5 -71.4 119.6 43.2 63.9 19.1 200 200 A L B -L 175 0G 0 -61,-1.9 2,-0.9 -2,-0.5 -25,-0.3 -0.370 11.8-132.8 -70.6 145.5 44.0 65.7 15.8 201 201 A N > - 0 0 16 -27,-2.9 3,-1.6 1,-0.1 6,-0.3 -0.812 21.1-176.6 -99.5 98.4 41.3 67.9 14.4 202 202 A H T 3 S+ 0 0 6 -2,-0.9 6,-0.2 1,-0.3 -1,-0.1 0.635 79.8 67.6 -74.3 -11.0 40.9 66.9 10.8 203 203 A N T 3 S+ 0 0 29 4,-0.1 2,-0.6 474,-0.1 -1,-0.3 0.575 80.3 92.5 -82.5 -9.7 38.3 69.7 10.2 204 204 A N S <> S- 0 0 25 -3,-1.6 4,-2.6 1,-0.2 3,-0.4 -0.779 79.3-141.2 -81.9 124.5 41.2 72.2 10.8 205 205 A S H > S+ 0 0 49 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.788 98.7 54.1 -56.0 -32.5 42.6 72.9 7.3 206 206 A S H > S+ 0 0 59 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.917 112.0 44.3 -69.1 -41.7 46.2 73.0 8.4 207 207 A V H > S+ 0 0 0 -3,-0.4 4,-2.4 -6,-0.3 5,-0.3 0.962 114.7 50.2 -68.6 -46.7 45.8 69.5 10.0 208 208 A D H X S+ 0 0 3 -4,-2.6 4,-1.6 -7,-0.3 -2,-0.2 0.912 115.9 39.6 -53.2 -54.7 43.9 68.2 6.9 209 209 A V H X S+ 0 0 51 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.878 113.5 56.1 -67.2 -38.2 46.5 69.5 4.4 210 210 A Y H X S+ 0 0 7 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.903 109.2 44.3 -60.6 -48.5 49.5 68.5 6.6 211 211 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.868 114.9 49.5 -69.0 -33.0 48.5 64.9 6.9 212 212 A K H X S+ 0 0 17 -4,-1.6 4,-1.9 -5,-0.3 -2,-0.2 0.907 113.0 46.8 -71.6 -40.4 47.7 64.6 3.2 213 213 A D H X S+ 0 0 78 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.891 111.8 52.8 -63.7 -38.6 51.0 66.2 2.4 214 214 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.950 108.4 48.0 -65.0 -45.6 52.7 63.8 4.8 215 215 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.925 109.4 53.9 -66.2 -36.0 51.2 60.7 3.3 216 216 A K H X S+ 0 0 67 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.903 105.0 55.2 -61.8 -36.6 52.2 61.9 -0.2 217 217 A M H X S+ 0 0 47 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.934 109.3 45.9 -62.1 -44.5 55.8 62.2 1.0 218 218 A W H <>S+ 0 0 0 -4,-1.8 5,-1.5 1,-0.2 -1,-0.2 0.875 111.2 52.6 -69.0 -31.4 55.9 58.6 2.2 219 219 A L H ><5S+ 0 0 6 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.888 106.8 54.1 -69.1 -35.6 54.3 57.5 -1.1 220 220 A D H 3<5S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.783 99.4 61.0 -66.4 -26.2 57.1 59.5 -2.8 221 221 A L T 3<5S- 0 0 33 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.464 124.5-104.1 -79.8 -0.9 59.6 57.5 -0.8 222 222 A G T < 5 + 0 0 16 -3,-1.5 -90,-0.3 1,-0.2 -3,-0.2 0.649 59.4 162.9 95.7 17.2 58.2 54.3 -2.5 223 223 A V < - 0 0 0 -5,-1.5 -1,-0.2 1,-0.1 -90,-0.2 -0.332 25.9-155.2 -66.1 153.8 56.1 52.6 0.2 224 224 A D + 0 0 0 -92,-2.6 29,-1.1 1,-0.2 2,-0.3 0.509 66.2 12.5-110.8 -7.2 53.7 50.1 -1.3 225 225 A G E -de 133 253A 0 -93,-1.1 -91,-1.7 27,-0.2 2,-0.4 -0.975 59.0-143.9-163.8 163.2 50.9 50.0 1.2 226 226 A I E -de 134 254A 0 27,-1.9 29,-2.3 -2,-0.3 2,-0.6 -0.998 3.3-156.6-138.5 131.1 49.6 51.8 4.3 227 227 A R E -de 135 255A 0 -93,-2.7 -91,-2.1 -2,-0.4 2,-0.6 -0.963 21.4-147.2-108.7 117.2 47.9 50.3 7.3 228 228 A V E > -de 136 256A 0 27,-2.9 29,-2.1 -2,-0.6 3,-0.5 -0.739 8.9-139.0 -92.9 124.8 45.8 53.0 8.9 229 229 A D T 3 S+ 0 0 20 -93,-2.3 -90,-0.2 -2,-0.6 29,-0.1 -0.554 73.1 2.8 -77.5 141.7 45.5 53.0 12.6 230 230 A A T > + 0 0 9 -2,-0.2 3,-2.1 27,-0.2 -1,-0.2 0.800 62.4 166.2 53.5 48.6 42.2 53.6 14.4 231 231 A V G X S+ 0 0 3 26,-0.9 3,-0.8 -3,-0.5 27,-0.2 0.749 75.3 62.3 -64.7 -22.4 39.8 54.0 11.5 232 232 A K G 3 S+ 0 0 63 25,-0.6 -1,-0.3 1,-0.2 4,-0.1 0.646 102.9 53.8 -71.5 -15.2 36.8 53.7 13.9 233 233 A H G < S+ 0 0 28 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.238 97.0 68.1-112.3 12.4 38.1 56.9 15.6 234 234 A M S < S- 0 0 3 -3,-0.8 -43,-0.1 -4,-0.1 2,-0.1 -0.930 97.1 -87.9-128.2 151.1 38.3 59.3 12.7 235 235 A P > - 0 0 6 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.404 30.7-137.6 -58.4 131.3 35.4 60.8 10.7 236 236 A F H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 103.8 56.0 -56.8 -41.7 34.5 58.4 7.8 237 237 A G H > S+ 0 0 4 402,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.905 108.2 46.1 -62.7 -40.0 34.1 61.5 5.5 238 238 A W H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 111.7 50.9 -68.7 -43.3 37.6 62.7 6.3 239 239 A Q H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.886 107.0 55.0 -64.7 -32.8 39.1 59.2 5.8 240 240 A K H X S+ 0 0 18 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.897 111.2 43.9 -66.4 -34.2 37.3 58.9 2.4 241 241 A S H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 345,-0.2 0.863 112.2 53.8 -76.1 -33.3 39.0 62.3 1.2 242 242 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 3,-0.3 0.948 110.5 46.3 -59.0 -49.5 42.2 61.0 2.7 243 243 A M H X S+ 0 0 2 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.903 110.0 53.4 -61.6 -39.8 41.8 57.8 0.6 244 244 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.824 106.1 54.4 -63.4 -31.1 40.9 59.9 -2.5 245 245 A T H X S+ 0 0 24 -4,-1.6 4,-0.6 -3,-0.3 5,-0.2 0.957 113.8 40.7 -66.0 -47.5 44.2 61.9 -1.9 246 246 A I H >X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-1.1 0.956 119.3 44.9 -63.6 -52.0 46.2 58.6 -2.0 247 247 A N H 3< S+ 0 0 2 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.824 113.8 47.5 -68.1 -31.7 44.3 57.1 -4.8 248 248 A N H 3< S+ 0 0 24 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.518 123.3 35.7 -86.6 -6.2 44.2 60.1 -7.0 249 249 A Y H << S- 0 0 89 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.2 0.755 140.6 -20.0-105.8 -72.3 47.9 60.7 -6.4 250 250 A K S < S- 0 0 86 -4,-1.8 -2,-0.2 -5,-0.2 2,-0.1 -0.756 72.5-143.3-139.4 92.1 49.8 57.3 -6.2 251 251 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 -242,-0.1 -0.344 28.6 167.8 -65.6 124.8 47.3 54.5 -5.3 252 252 A V - 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