==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSYLTRANSFERASE 31-JUL-95 1CXI . COMPND 2 MOLECULE: CYCLODEXTRIN GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR R.M.A.KNEGTEL,B.V.STROKOPYTOV,B.W.DIJKSTRA . 686 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 63.3 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 . 124 18.1 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 . 50 7.3 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 . 101 14.7 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+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 2 1 0 0 3 0 1 2 1 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 . 7 1 7 4 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 . 4 3 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 51 0, 0.0 2,-0.1 0, 0.0 544,-0.1 0.000 360.0 360.0 360.0 155.1 41.9 63.6 16.2 2 2 A P > - 0 0 54 0, 0.0 3,-2.6 0, 0.0 6,-0.1 -0.401 360.0-111.1 -79.7 154.7 43.4 66.9 15.1 3 3 A D T 3 S+ 0 0 2 1,-0.3 11,-0.2 516,-0.2 8,-0.1 0.806 119.2 58.6 -50.1 -31.6 45.5 69.1 17.4 4 4 A T T 3 S+ 0 0 37 395,-0.1 -1,-0.3 9,-0.1 396,-0.0 0.444 80.3 124.4 -81.9 -1.3 42.5 71.6 17.3 5 5 A S X - 0 0 27 -3,-2.6 3,-2.2 1,-0.1 0, 0.0 -0.271 69.9-128.4 -63.3 143.3 40.0 69.0 18.6 6 6 A V T 3 S+ 0 0 24 1,-0.3 -1,-0.1 120,-0.1 -3,-0.0 0.759 109.2 68.1 -60.0 -21.0 38.0 69.8 21.8 7 7 A S T 3 S+ 0 0 60 -5,-0.1 2,-1.5 1,-0.1 -1,-0.3 0.576 71.4 101.8 -77.1 -9.7 39.3 66.4 23.0 8 8 A N X + 0 0 0 -3,-2.2 3,-0.8 1,-0.2 -1,-0.1 -0.598 40.8 169.3 -82.2 88.2 42.9 67.7 23.2 9 9 A K T 3 S+ 0 0 54 -2,-1.5 244,-2.8 1,-0.2 -1,-0.2 0.557 71.0 59.7 -73.5 -10.7 43.3 68.3 27.0 10 10 A Q T 3 S+ 0 0 21 242,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.512 102.2 48.6 -95.9 -10.5 47.1 68.8 26.7 11 11 A N < + 0 0 0 -3,-0.8 -1,-0.2 -8,-0.1 -3,-0.1 -0.984 42.6 162.1-138.9 121.3 47.2 71.8 24.4 12 12 A F > + 0 0 0 -2,-0.4 3,-1.3 1,-0.1 -1,-0.1 0.169 52.7 103.6-119.3 10.1 45.2 75.1 24.7 13 13 A S T 3 S+ 0 0 0 1,-0.3 -1,-0.1 342,-0.1 -9,-0.1 0.731 81.9 50.2 -68.1 -20.2 47.4 77.1 22.4 14 14 A T T 3 S+ 0 0 2 -11,-0.2 -1,-0.3 341,-0.1 2,-0.2 0.407 105.2 80.4 -94.5 1.6 44.8 76.9 19.6 15 15 A D < - 0 0 0 -3,-1.3 2,-0.5 383,-0.1 56,-0.1 -0.596 68.4-140.4-107.0 168.8 42.0 78.0 22.0 16 16 A V - 0 0 1 -2,-0.2 56,-2.1 54,-0.2 57,-1.2 -0.997 23.5-147.0-127.6 118.8 40.7 81.2 23.4 17 17 A I E -ab 73 357A 0 339,-3.0 341,-2.7 -2,-0.5 2,-0.5 -0.682 5.4-157.1 -90.4 141.4 39.7 81.0 27.1 18 18 A Y E -ab 74 358A 0 55,-2.0 57,-2.1 -2,-0.3 2,-0.5 -0.989 15.7-144.8-117.7 112.8 36.8 83.0 28.6 19 19 A Q E -ab 75 359A 5 339,-2.9 341,-2.5 -2,-0.5 2,-0.5 -0.731 18.9-165.8 -85.0 122.6 37.3 83.4 32.4 20 20 A I E -a 76 0A 2 55,-3.3 2,-1.1 -2,-0.5 57,-0.6 -0.938 25.9-149.8-116.3 129.8 34.0 83.4 34.2 21 21 A F > - 0 0 3 -2,-0.5 3,-1.7 1,-0.2 4,-0.5 -0.840 28.4-149.6 -88.9 101.3 33.2 84.4 37.8 22 22 A T G >> S+ 0 0 0 -2,-1.1 3,-0.9 1,-0.3 4,-0.7 0.812 89.5 53.8 -42.3 -44.9 30.3 81.9 38.0 23 23 A D G 34 S+ 0 0 2 74,-0.4 29,-2.3 1,-0.2 -1,-0.3 0.757 112.4 44.0 -64.7 -28.5 28.2 83.9 40.4 24 24 A R G <4 S+ 0 0 0 -3,-1.7 354,-2.1 27,-0.1 -1,-0.2 0.286 104.0 64.4-101.6 5.8 28.3 87.0 38.1 25 25 A F T <4 S- 0 0 4 -3,-0.9 2,-0.3 -4,-0.5 -2,-0.1 0.910 110.8 -21.4 -93.2 -71.5 27.7 85.4 34.7 26 26 A S < - 0 0 26 -4,-0.7 27,-2.3 27,-0.2 2,-1.4 -0.894 41.5-147.5-153.5 120.4 24.2 83.9 34.5 27 27 A D + 0 0 50 25,-0.3 25,-0.2 -2,-0.3 27,-0.1 -0.677 29.8 165.0 -83.6 91.3 21.7 82.6 37.2 28 28 A G S S+ 0 0 24 -2,-1.4 -1,-0.2 1,-0.3 24,-0.1 0.592 70.5 38.8 -86.3 -11.2 20.2 79.8 35.1 29 29 A N > - 0 0 52 22,-0.4 3,-1.5 -3,-0.1 -1,-0.3 -0.724 60.1-177.3-142.3 92.0 18.6 78.2 38.2 30 30 A P G > S+ 0 0 87 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.778 77.2 75.2 -58.4 -28.4 17.1 80.6 40.8 31 31 A A G 3 S+ 0 0 91 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.788 93.4 50.3 -58.4 -28.3 16.2 77.6 43.0 32 32 A N G < S+ 0 0 32 -3,-1.5 -1,-0.3 79,-0.1 19,-0.1 0.335 83.3 127.3 -90.4 7.7 19.9 77.1 44.1 33 33 A N < - 0 0 28 -3,-2.0 6,-0.1 -4,-0.1 79,-0.0 -0.406 66.0-112.7 -67.9 139.3 20.3 80.7 45.0 34 34 A P - 0 0 28 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.186 39.0-135.3 -65.0 160.2 21.6 81.5 48.5 35 35 A T > - 0 0 119 4,-0.0 3,-1.4 5,-0.0 14,-0.1 -0.749 47.5 -2.2-120.4 170.6 19.1 83.2 50.8 36 36 A G G > S+ 0 0 63 -2,-0.2 3,-1.6 1,-0.2 0, 0.0 -0.264 123.3 0.9 60.2-136.6 18.9 86.1 53.3 37 37 A A G 3 S+ 0 0 63 1,-0.3 -1,-0.2 3,-0.0 56,-0.0 0.559 129.2 60.6 -61.1 -15.2 21.9 88.1 54.2 38 38 A A G < S+ 0 0 15 -3,-1.4 11,-2.6 10,-0.1 2,-0.4 0.514 98.4 71.2 -91.1 -6.6 24.2 86.1 51.8 39 39 A F B < +g 49 0B 55 -3,-1.6 2,-0.2 9,-0.2 11,-0.2 -0.903 41.9 172.4-121.5 144.7 22.2 87.0 48.7 40 40 A D > - 0 0 29 9,-3.1 3,-2.2 -2,-0.4 8,-0.1 -0.750 8.9-172.1-144.1 89.5 21.6 90.1 46.5 41 41 A G T 3 S+ 0 0 34 1,-0.3 -1,-0.1 -2,-0.2 9,-0.1 0.743 89.7 53.9 -53.6 -27.9 19.6 89.2 43.4 42 42 A T T 3 S- 0 0 94 3,-0.0 -1,-0.3 0, 0.0 8,-0.1 0.605 102.3-138.2 -82.0 -14.2 20.1 92.7 41.9 43 43 A a < + 0 0 13 -3,-2.2 334,-0.4 6,-0.2 -2,-0.1 0.897 62.0 132.2 56.3 44.3 23.9 92.2 42.4 44 44 A T + 0 0 114 1,-0.2 2,-1.0 332,-0.1 -1,-0.1 0.831 63.2 60.9 -87.6 -40.9 24.3 95.7 43.7 45 45 A N S > S- 0 0 56 1,-0.1 3,-1.3 4,-0.1 -1,-0.2 -0.798 75.7-163.0 -89.2 105.6 26.3 94.5 46.7 46 46 A L T 3 S+ 0 0 21 -2,-1.0 -1,-0.1 1,-0.2 4,-0.1 0.285 79.9 66.2 -73.7 9.0 29.3 92.8 45.0 47 47 A R T 3 S+ 0 0 82 46,-0.1 48,-2.3 2,-0.1 50,-0.3 0.458 93.8 64.9-108.3 -4.8 30.3 90.9 48.1 48 48 A L S < S- 0 0 13 -3,-1.3 2,-0.2 46,-0.2 -9,-0.2 -0.651 99.0 -78.5-111.5 171.8 27.3 88.7 48.3 49 49 A Y B -g 39 0B 19 -11,-2.6 -9,-3.1 -2,-0.2 -6,-0.2 -0.502 33.6-172.9 -72.6 134.5 25.9 86.0 46.0 50 50 A a - 0 0 0 -2,-0.2 -1,-0.1 -11,-0.2 -23,-0.1 0.448 50.2-104.4-104.2 -6.3 24.1 87.3 43.0 51 51 A G + 0 0 3 1,-0.2 -22,-0.4 -19,-0.1 -27,-0.1 0.378 61.7 155.3 102.1 -2.7 22.9 83.9 41.8 52 52 A G + 0 0 3 -29,-2.3 -25,-0.3 -25,-0.2 -1,-0.2 -0.349 21.6 167.5 -59.2 131.2 25.2 83.0 38.9 53 53 A D > - 0 0 0 -27,-2.3 4,-1.3 -2,-0.1 -27,-0.2 -0.762 51.1 -92.1-139.5-176.5 25.4 79.2 38.3 54 54 A W H > S+ 0 0 0 58,-2.1 4,-2.3 -2,-0.2 5,-0.2 0.832 120.1 56.7 -66.1 -33.6 26.5 76.3 36.1 55 55 A Q H > S+ 0 0 59 57,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.853 104.1 53.6 -68.8 -31.3 23.0 76.1 34.5 56 56 A G H > S+ 0 0 0 -30,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.888 108.2 49.1 -68.7 -36.7 23.4 79.7 33.4 57 57 A I H X S+ 0 0 0 -4,-1.3 4,-2.0 -31,-0.2 -2,-0.2 0.926 109.6 52.1 -66.8 -44.6 26.8 78.8 31.7 58 58 A I H X S+ 0 0 11 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.887 109.1 52.2 -58.0 -39.8 25.1 75.9 30.0 59 59 A N H X S+ 0 0 64 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.930 110.9 44.1 -63.0 -47.6 22.4 78.3 28.8 60 60 A K H <>S+ 0 0 21 -4,-1.9 6,-1.2 1,-0.2 5,-0.6 0.709 112.1 54.4 -73.2 -20.5 24.9 80.8 27.3 61 61 A I H ><5S+ 0 0 0 -4,-2.0 3,-0.5 -5,-0.2 6,-0.2 0.866 113.2 42.8 -76.0 -38.1 26.9 78.0 25.8 62 62 A N H 3<5S+ 0 0 81 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.1 0.716 109.3 55.3 -81.5 -23.0 23.6 76.7 24.1 63 63 A D T 3<5S- 0 0 93 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.1 0.323 113.2-109.1 -94.8 8.3 22.3 80.1 22.9 64 64 A G T <>5S+ 0 0 23 -3,-0.5 4,-2.7 -4,-0.2 5,-0.2 0.381 80.9 122.8 87.7 -1.6 25.4 81.1 21.0 65 65 A Y H >>>S+ 0 0 0 -6,-1.2 5,-2.1 2,-0.2 3,-0.9 0.936 123.6 48.9 -73.0 -50.1 30.3 82.1 23.6 67 67 A T H >45S+ 0 0 53 -7,-0.4 3,-1.2 1,-0.2 -2,-0.2 0.894 108.3 54.6 -59.4 -40.2 30.3 80.1 20.4 68 68 A G H 3<5S+ 0 0 33 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.751 106.8 52.4 -66.6 -20.5 29.4 83.2 18.3 69 69 A M H <<5S- 0 0 0 -3,-0.9 326,-0.3 -4,-0.5 -1,-0.3 0.595 117.2-114.4 -87.6 -12.9 32.4 85.0 19.8 70 70 A G T <<5 + 0 0 15 -3,-1.2 2,-0.3 -4,-0.7 -3,-0.2 0.663 60.2 157.0 86.3 16.6 34.7 82.2 18.9 71 71 A V < + 0 0 3 -5,-2.1 -1,-0.3 -6,-0.1 -54,-0.2 -0.588 16.5 178.2 -73.7 132.7 35.4 81.3 22.6 72 72 A T + 0 0 24 -56,-2.1 59,-2.3 -2,-0.3 2,-0.3 0.363 60.0 32.6-121.2 4.8 36.6 77.7 22.8 73 73 A A E -ac 17 131A 0 -57,-1.2 -55,-2.0 57,-0.3 2,-0.4 -0.977 60.5-153.5-157.0 149.3 37.3 77.2 26.5 74 74 A I E -ac 18 132A 0 57,-2.3 59,-3.4 -2,-0.3 2,-0.5 -0.957 3.5-157.5-126.7 145.9 36.0 78.5 29.8 75 75 A W E -ac 19 133A 3 -57,-2.1 -55,-3.3 -2,-0.4 2,-0.2 -0.995 24.4-169.6-122.4 117.9 37.7 78.8 33.1 76 76 A I E -ac 20 134A 1 57,-2.8 59,-1.5 -2,-0.5 -55,-0.1 -0.717 27.8 -82.7-112.0 164.8 35.2 78.8 35.9 77 77 A S S S- 0 0 4 -57,-0.6 22,-0.2 -2,-0.2 -1,-0.1 -0.211 70.1 -69.4 -58.7 155.8 35.3 79.6 39.7 78 78 A Q - 0 0 0 20,-0.5 -1,-0.2 1,-0.1 58,-0.1 -0.179 46.6-153.4 -49.0 125.1 36.5 76.8 42.1 79 79 A P + 0 0 0 0, 0.0 30,-1.8 0, 0.0 -1,-0.1 0.568 56.8 104.9 -84.5 -11.4 33.6 74.2 41.9 80 80 A V E S-H 108 0C 0 28,-0.3 28,-0.3 19,-0.2 25,-0.2 -0.311 85.0 -78.4 -73.2 155.6 34.2 72.6 45.4 81 81 A E E -H 104 0C 16 26,-1.6 22,-3.0 23,-1.1 23,-1.8 -0.256 50.2-160.8 -55.7 127.7 32.0 73.2 48.4 82 82 A N E -H 102 0C 2 20,-0.3 20,-0.2 21,-0.2 60,-0.1 -0.725 29.4 -84.4-107.8 161.6 32.7 76.5 50.2 83 83 A I - 0 0 3 18,-2.0 13,-0.3 -2,-0.3 -1,-0.1 -0.193 29.4-142.2 -59.5 158.0 32.0 77.6 53.7 84 84 A Y + 0 0 119 11,-0.1 -1,-0.1 -3,-0.1 12,-0.0 0.541 58.4 121.0-101.8 -8.1 28.5 79.0 54.3 85 85 A S - 0 0 26 1,-0.1 2,-0.7 10,-0.1 11,-0.2 -0.178 57.8-141.2 -59.0 146.2 29.4 81.8 56.7 86 86 A I - 0 0 54 9,-0.1 2,-0.5 66,-0.1 9,-0.2 -0.959 27.8-152.0-106.2 108.0 28.7 85.5 56.0 87 87 A I E -I 94 0D 4 7,-2.9 7,-2.5 -2,-0.7 2,-0.8 -0.786 4.3-143.8 -92.2 128.1 31.8 87.0 57.4 88 88 A N E -I 93 0D 84 -2,-0.5 2,-0.9 5,-0.2 5,-0.2 -0.810 13.3-169.3 -92.7 113.4 31.6 90.6 58.7 89 89 A Y E > S-I 92 0D 78 3,-3.5 3,-0.8 -2,-0.8 -2,-0.0 -0.838 72.2 -40.8-105.9 95.6 34.8 92.4 57.9 90 90 A S T 3 S- 0 0 128 -2,-0.9 -1,-0.2 1,-0.3 3,-0.1 0.955 128.4 -29.8 47.6 69.5 34.6 95.7 59.9 91 91 A G T 3 S+ 0 0 68 1,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.337 120.1 104.1 79.0 -4.7 30.9 96.4 59.3 92 92 A V E < -I 89 0D 58 -3,-0.8 -3,-3.5 -45,-0.0 2,-0.3 -0.938 65.1-132.7-118.0 129.6 30.7 94.7 55.9 93 93 A N E -I 88 0D 61 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.552 23.3-170.0 -77.4 130.8 29.2 91.3 55.0 94 94 A N E -I 87 0D 29 -7,-2.5 -7,-2.9 -2,-0.3 2,-0.2 -0.971 1.8-170.0-125.6 133.0 31.3 88.9 52.9 95 95 A T - 0 0 3 -48,-2.3 3,-0.4 -2,-0.4 -9,-0.1 -0.658 37.0-109.2-115.1 171.0 30.2 85.7 51.2 96 96 A A S > S+ 0 0 1 -13,-0.3 3,-2.2 -11,-0.2 5,-0.2 0.058 71.0 129.4 -87.4 26.4 32.0 82.8 49.5 97 97 A Y T 3 + 0 0 7 -50,-0.3 -74,-0.4 1,-0.3 -1,-0.2 0.755 68.1 59.9 -51.3 -27.6 30.6 83.9 46.1 98 98 A H T 3 S- 0 0 17 -3,-0.4 -20,-0.5 -51,-0.1 -1,-0.3 0.645 102.6-131.3 -78.1 -17.7 34.1 83.7 44.6 99 99 A G S < S+ 0 0 0 -3,-2.2 -19,-0.2 -22,-0.2 -2,-0.1 0.456 74.5 114.9 80.8 4.4 34.6 80.0 45.4 100 100 A Y + 0 0 26 1,-0.2 2,-0.6 2,-0.1 40,-0.1 0.392 55.3 76.4 -85.8 -0.9 38.1 80.5 47.1 101 101 A W S S- 0 0 25 -5,-0.2 -18,-2.0 -18,-0.1 41,-0.2 -0.669 72.3-168.1-111.1 73.6 37.1 79.5 50.7 102 102 A A E +H 82 0C 0 39,-0.7 -20,-0.3 -2,-0.6 3,-0.1 -0.308 26.1 167.7 -67.2 147.4 37.0 75.7 50.4 103 103 A R E S+ 0 0 33 -22,-3.0 55,-2.6 1,-0.2 2,-0.3 0.543 79.5 15.5-124.8 -29.4 35.4 73.5 53.0 104 104 A D E > -H 81 0C 0 -23,-1.8 3,-1.3 53,-0.2 -23,-1.1 -0.828 54.6-168.1-152.9 105.3 35.3 70.2 51.1 105 105 A F E 3 S+ 0 0 0 53,-0.5 54,-0.1 -2,-0.3 -1,-0.0 0.432 88.4 62.6 -72.1 -0.1 37.2 69.6 47.8 106 106 A K E 3 S+ 0 0 47 52,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.371 101.6 53.5-106.1 2.9 35.2 66.4 47.2 107 107 A K E < S- 0 0 71 -3,-1.3 -26,-1.6 -26,-0.1 2,-0.2 -0.845 83.1-106.3-131.2 168.1 31.8 68.0 46.9 108 108 A T E -H 80 0C 19 -28,-0.3 -28,-0.3 -2,-0.3 -27,-0.1 -0.547 31.3-108.4 -93.2 160.2 30.2 70.9 44.9 109 109 A N >> - 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0 0 32 -7,-3.4 2,-0.3 1,-0.3 -6,-0.2 0.817 58.3 -70.0 -96.9 -41.6 39.3 66.1 59.1 165 165 A G E -L 157 0F 10 -8,-1.4 -8,-3.5 9,-0.0 -1,-0.3 -0.919 36.3-119.5 165.3 171.1 39.9 69.1 61.3 166 166 A G - 0 0 10 2,-0.4 8,-0.2 -10,-0.3 -11,-0.2 -0.697 39.4 -97.3-126.4 177.3 39.8 72.9 62.0 167 167 A Y S > S+ 0 0 16 -13,-3.5 3,-0.7 -2,-0.2 2,-0.3 0.802 104.5 71.2 -69.1 -30.3 42.3 75.6 62.7 168 168 A T T 3 S+ 0 0 23 -14,-0.3 -2,-0.4 1,-0.2 3,-0.2 -0.670 109.9 12.6 -88.3 140.2 41.8 75.5 66.5 169 169 A N T 3 S+ 0 0 137 -2,-0.3 2,-2.8 1,-0.2 3,-0.4 0.861 77.5 171.9 59.5 38.1 43.1 72.4 68.2 170 170 A D X + 0 0 15 -3,-0.7 3,-0.5 1,-0.2 -1,-0.2 -0.405 15.5 149.8 -79.6 66.8 45.1 71.5 65.1 171 171 A T T 3 + 0 0 128 -2,-2.8 -1,-0.2 1,-0.2 -2,-0.1 0.816 67.6 57.9 -68.8 -31.0 46.9 68.8 66.9 172 172 A Q T 3 S- 0 0 97 -3,-0.4 -1,-0.2 32,-0.0 -2,-0.1 0.686 107.3-127.5 -70.0 -23.2 47.2 66.8 63.7 173 173 A N < + 0 0 71 -3,-0.5 -2,-0.1 31,-0.1 31,-0.1 0.940 55.6 151.5 66.7 50.9 49.0 69.7 62.1 174 174 A L + 0 0 0 -8,-0.2 27,-3.3 26,-0.1 2,-0.2 0.779 67.0 36.4 -76.0 -29.8 46.7 69.9 59.1 175 175 A F B S-M 200 0G 0 25,-0.3 2,-0.3 -9,-0.2 25,-0.2 -0.748 88.8-100.2-120.9 170.5 47.6 73.6 58.9 176 176 A H - 0 0 10 23,-2.9 23,-0.4 -2,-0.2 3,-0.1 -0.685 21.2-168.1 -89.3 138.5 50.5 76.0 59.4 177 177 A H + 0 0 72 -2,-0.3 3,-0.1 1,-0.1 15,-0.1 -0.455 51.6 113.4-123.9 58.2 50.6 77.9 62.7 178 178 A N S S- 0 0 58 1,-0.5 2,-0.2 13,-0.2 -1,-0.1 0.185 79.5-106.5-112.5 11.7 53.3 80.4 61.8 179 179 A G - 0 0 43 -3,-0.1 14,-2.7 13,-0.1 -1,-0.5 -0.504 55.4 -50.3 91.8-167.3 51.4 83.7 61.8 180 180 A G B -n 193 0H 48 12,-0.3 14,-0.2 -2,-0.2 2,-0.1 -0.834 56.1-110.5-109.4 149.8 50.4 85.6 58.5 181 181 A T - 0 0 16 12,-2.9 14,-0.3 -2,-0.3 8,-0.1 -0.457 11.5-161.1 -76.5 149.9 52.8 86.5 55.7 182 182 A D - 0 0 105 -2,-0.1 -1,-0.1 3,-0.1 7,-0.1 0.195 46.3-118.3-108.5 9.7 53.9 90.1 54.9 183 183 A F S S+ 0 0 99 2,-0.1 6,-0.1 5,-0.1 -2,-0.1 0.672 74.4 136.0 60.6 19.4 54.9 88.9 51.4 184 184 A S S S+ 0 0 72 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.767 70.5 8.1 -69.1 -29.6 58.4 90.0 52.3 185 185 A T S > S- 0 0 51 1,-0.1 4,-1.6 0, 0.0 -2,-0.1 -0.937 75.4-114.4-143.5 163.5 60.1 86.9 50.9 186 186 A T H > S+ 0 0 21 -2,-0.3 4,-1.1 2,-0.2 5,-0.1 0.916 119.1 51.9 -66.0 -44.2 58.9 83.9 48.9 187 187 A E H >> S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.923 108.8 51.0 -57.1 -46.5 59.6 81.6 51.8 188 188 A N H 3> S+ 0 0 16 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.842 109.7 50.1 -58.6 -38.9 57.6 83.9 54.1 189 189 A G H 3< S+ 0 0 2 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.646 111.8 49.5 -77.1 -15.2 54.6 83.9 51.7 190 190 A I H << S+ 0 0 0 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.1 0.912 116.8 35.1 -87.4 -48.0 54.7 80.1 51.5 191 191 A Y H < S+ 0 0 1 -4,-2.2 2,-0.3 -5,-0.1 -13,-0.2 0.303 110.0 62.4 -96.2 7.8 54.8 79.1 55.1 192 192 A K S < S- 0 0 50 -4,-0.6 -12,-0.3 -5,-0.1 2,-0.1 -0.827 94.3 -80.9-127.1 161.8 52.6 81.7 56.7 193 193 A N B -n 180 0H 13 -14,-2.7 -12,-2.9 -2,-0.3 2,-1.0 -0.325 29.8-127.0 -67.4 146.9 48.9 82.5 56.2 194 194 A L B > S-K 197 0E 12 3,-0.5 3,-2.4 -14,-0.2 2,-0.3 -0.832 80.1 -49.0 -92.0 104.2 47.6 84.6 53.3 195 195 A Y T 3 S- 0 0 166 -2,-1.0 -2,-0.1 -14,-0.3 -14,-0.1 -0.502 119.0 -31.0 66.1-122.3 45.6 87.1 55.2 196 196 A D T 3 S+ 0 0 46 -2,-0.3 -52,-2.4 -16,-0.1 2,-0.4 0.151 99.9 132.2-112.6 18.4 43.5 85.0 57.6 197 197 A L E < -JK 143 194E 18 -3,-2.4 -3,-0.5 -54,-0.2 2,-0.5 -0.568 67.3-112.8 -76.3 126.6 43.2 82.0 55.4 198 198 A A E - 0 0 0 -56,-2.6 -57,-1.6 -2,-0.4 2,-0.5 -0.411 34.9-134.8 -60.1 110.4 44.0 78.8 57.2 199 199 A D E -J 140 0E 2 -2,-0.5 -23,-2.9 -23,-0.4 -59,-0.2 -0.582 14.3-132.4 -75.7 117.1 47.2 77.6 55.5 200 200 A L B -M 175 0G 1 -61,-1.8 2,-0.9 -2,-0.5 -25,-0.3 -0.364 10.7-132.9 -69.9 142.5 47.2 73.9 54.6 201 201 A N > - 0 0 13 -27,-3.3 3,-1.9 1,-0.1 6,-0.3 -0.848 19.7-174.5 -99.9 98.4 50.3 71.9 55.5 202 202 A H T 3 S+ 0 0 4 -2,-0.9 -1,-0.1 1,-0.3 386,-0.1 0.515 82.1 67.7 -72.8 -4.0 51.2 69.8 52.4 203 203 A N T 3 S+ 0 0 29 474,-0.1 2,-0.6 -29,-0.1 -1,-0.3 0.534 78.8 93.6 -89.6 -7.5 53.9 68.1 54.4 204 204 A N S <> S- 0 0 25 -3,-1.9 4,-2.8 -30,-0.2 3,-0.5 -0.779 77.8-142.1 -87.5 119.2 51.1 66.5 56.5 205 205 A S H > S+ 0 0 48 -2,-0.6 4,-2.9 1,-0.2 5,-0.3 0.763 98.0 54.6 -49.8 -37.8 50.5 63.2 54.7 206 206 A T H > S+ 0 0 63 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.883 111.6 44.1 -66.0 -43.1 46.7 63.3 55.2 207 207 A V H > S+ 0 0 1 -3,-0.5 4,-2.5 -6,-0.3 5,-0.3 0.958 115.6 49.9 -66.3 -49.9 46.6 66.7 53.5 208 208 A D H X S+ 0 0 3 -4,-2.8 4,-2.1 -7,-0.3 3,-0.3 0.964 115.9 39.2 -50.8 -66.1 48.9 65.5 50.8 209 209 A V H X S+ 0 0 57 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.862 115.6 54.6 -55.6 -39.5 47.0 62.3 50.0 210 210 A Y H X S+ 0 0 8 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.889 108.6 45.1 -63.1 -46.8 43.7 64.0 50.3 211 211 A L H X S+ 0 0 1 -4,-2.5 4,-1.9 -3,-0.3 -1,-0.2 0.884 112.8 51.8 -67.3 -38.9 44.3 66.8 47.9 212 212 A K H X S+ 0 0 16 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.838 112.8 45.8 -67.8 -30.8 45.8 64.4 45.3 213 213 A D H X S+ 0 0 74 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.906 109.0 55.6 -78.2 -39.5 42.7 62.2 45.6 214 214 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 3,-0.3 0.876 106.0 50.3 -58.2 -43.1 40.3 65.1 45.4 215 215 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.866 103.7 60.4 -65.9 -33.7 41.8 66.3 42.1 216 216 A K H X S+ 0 0 60 -4,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.863 100.0 56.1 -61.2 -33.8 41.4 62.8 40.7 217 217 A M H X S+ 0 0 48 -4,-1.2 4,-0.8 -3,-0.3 -1,-0.2 0.895 109.0 46.0 -64.1 -41.6 37.7 63.1 41.3 218 218 A W H <>S+ 0 0 0 -4,-1.2 5,-1.3 2,-0.2 3,-0.5 0.897 110.1 53.0 -69.3 -37.8 37.5 66.2 39.2 219 219 A L H ><5S+ 0 0 9 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.873 107.6 52.9 -63.1 -36.1 39.7 64.6 36.4 220 220 A D H 3<5S+ 0 0 86 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.744 99.9 62.1 -71.4 -25.5 37.2 61.8 36.4 221 221 A L T 3<5S- 0 0 31 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.557 122.8-104.2 -79.1 -6.2 34.4 64.2 35.9 222 222 A G T < 5 + 0 0 17 -3,-1.1 -90,-0.2 -4,-0.4 -3,-0.2 0.653 57.3 165.0 98.2 15.9 36.0 65.2 32.6 223 223 A I < - 0 0 1 -5,-1.3 -1,-0.2 1,-0.1 -90,-0.2 -0.290 27.0-152.6 -62.0 152.6 37.6 68.6 33.2 224 224 A D + 0 0 0 -92,-2.6 29,-1.0 1,-0.2 2,-0.3 0.556 69.0 0.8-102.3 -12.9 40.1 69.6 30.4 225 225 A G E -de 133 253A 0 -93,-1.1 -91,-1.6 27,-0.2 2,-0.4 -0.986 60.5-129.6-166.0 167.4 42.4 71.8 32.4 226 226 A I E -de 134 254A 0 27,-2.5 29,-2.0 -2,-0.3 2,-0.7 -0.993 3.7-155.9-131.8 136.3 43.2 73.3 35.9 227 227 A R E -de 135 255A 0 -93,-3.0 -91,-2.0 -2,-0.4 2,-0.4 -0.918 24.0-148.3-110.1 104.3 43.8 76.9 36.9 228 228 A M E -de 136 256A 0 27,-2.3 29,-2.8 -2,-0.7 3,-0.5 -0.632 7.8-138.7 -80.2 126.8 45.9 76.7 40.2 229 229 A D S S- 0 0 22 -93,-2.7 -90,-0.2 -2,-0.4 4,-0.1 -0.571 72.6 -0.3 -85.4 141.8 45.4 79.4 42.7 230 230 A A > + 0 0 9 -2,-0.2 3,-2.1 1,-0.1 -1,-0.2 0.809 67.1 166.3 56.2 44.0 48.3 81.0 44.7 231 231 A V G > S+ 0 0 0 26,-1.2 3,-0.8 -3,-0.5 27,-0.2 0.722 72.3 61.2 -63.1 -23.0 51.2 79.0 43.3 232 232 A K G 3 S+ 0 0 51 25,-0.7 -1,-0.3 1,-0.2 -43,-0.1 0.540 102.9 58.8 -77.7 -4.3 53.8 81.4 44.7 233 233 A H G < S+ 0 0 31 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.303 94.4 64.5-111.0 12.6 52.3 80.4 48.1 234 234 A M S < S- 0 0 0 -3,-0.8 -43,-0.1 -4,-0.1 -95,-0.1 -0.921 99.8 -83.0-131.7 152.2 52.8 76.6 48.2 235 235 A P > - 0 0 7 0, 0.0 4,-2.0 0, 0.0 5,-0.1 -0.332 33.8-141.7 -58.4 132.2 56.0 74.7 48.3 236 236 A F H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.888 100.7 53.6 -64.3 -41.1 57.2 74.3 44.7 237 237 A G H > S+ 0 0 9 402,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.870 108.8 48.3 -62.7 -39.2 58.4 70.8 45.3 238 238 A W H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.902 111.4 51.2 -66.8 -42.3 55.0 69.7 46.7 239 239 A Q H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.870 106.9 52.5 -63.3 -37.7 53.4 71.3 43.7 240 240 A K H X S+ 0 0 31 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.921 110.1 49.2 -63.8 -38.0 55.7 69.4 41.3 241 241 A S H X S+ 0 0 1 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.805 110.0 51.6 -69.5 -29.1 54.7 66.2 43.1 242 242 A F H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.850 108.2 50.7 -73.7 -35.5 51.0 67.3 42.7 243 243 A M H X S+ 0 0 1 -4,-2.2 4,-2.8 33,-0.3 -2,-0.2 0.825 108.8 53.4 -70.9 -30.2 51.5 67.9 38.9 244 244 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.849 105.3 52.5 -72.8 -35.3 53.1 64.4 38.7 245 245 A A H < S+ 0 0 19 -4,-1.2 5,-0.2 2,-0.2 -2,-0.2 0.901 113.7 44.6 -67.7 -39.1 50.0 62.8 40.3 246 246 A V H >X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 3,-1.4 0.977 118.3 42.3 -66.0 -54.5 47.8 64.5 37.8 247 247 A N H 3< S+ 0 0 4 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.733 111.2 54.1 -64.1 -29.5 50.1 63.6 34.8 248 248 A N T 3< S+ 0 0 27 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.381 122.7 31.5 -88.3 4.8 50.8 60.1 35.9 249 249 A Y T <4 S- 0 0 93 -3,-1.4 -2,-0.2 -5,-0.1 -3,-0.2 0.594 140.3 -21.5-120.5 -81.0 47.0 59.6 36.1 250 250 A K S < S- 0 0 91 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.1 -0.834 71.7-141.5-137.7 93.9 45.0 61.7 33.5 251 251 A P + 0 0 23 0, 0.0 2,-0.3 0, 0.0 -242,-0.1 -0.318 25.5 172.0 -62.2 135.4 47.1 64.7 32.3 252 252 A V - 0 0 8 -2,-0.1 -27,-0.2 -242,-0.1 -242,-0.2 -0.988 44.3 -85.6-141.0 148.8 45.3 68.0 31.6 253 253 A F E -e 225 0A 13 -244,-2.8 -27,-2.5 -29,-1.0 2,-0.4 -0.313 51.8-174.3 -55.0 121.4 46.6 71.5 30.8 254 254 A T E +e 226 0A 6 -29,-0.2 25,-2.6 23,-0.2 2,-0.3 -0.979 13.0 171.3-126.7 134.3 47.5 73.3 34.1 255 255 A F E -ef 227 279A 0 -29,-2.0 -27,-2.3 -2,-0.4 25,-0.3 -0.996 18.1-145.3-138.4 142.5 48.6 76.9 34.7 256 256 A G E -ef 228 280A 0 23,-2.6 25,-2.2 -2,-0.3 2,-0.7 -0.720 18.5-112.2-110.1 163.1 49.0 78.7 38.1 257 257 A E + 0 0 12 -29,-2.8 -26,-1.2 -2,-0.3 -25,-0.7 -0.813 39.5 162.9 -92.7 117.0 48.5 82.2 39.3 258 258 A W - 0 0 0 -2,-0.7 25,-0.3 23,-0.3 -2,-0.0 -0.833 31.9-139.4-133.5 91.5 51.8 83.8 40.2 259 259 A F - 0 0 100 -2,-0.4 2,-0.4 24,-0.1 -2,-0.0 -0.160 20.0-174.8 -53.8 136.5 51.3 87.6 40.5 260 260 A L - 0 0 1 9,-0.0 3,-0.1 4,-0.0 27,-0.1 -0.995 16.2-137.8-132.0 138.9 54.0 90.0 39.0 261 261 A G > - 0 0 17 -2,-0.4 3,-2.0 1,-0.2 26,-0.1 -0.245 45.6 -56.8 -88.1-179.6 53.8 93.7 39.4 262 262 A V T 3 S+ 0 0 77 1,-0.3 -1,-0.2 25,-0.1 3,-0.1 -0.358 125.4 1.0 -58.7 129.8 54.5 96.4 36.9 263 263 A N T 3 S+ 0 0 115 1,-0.2 2,-0.4 21,-0.1 -1,-0.3 0.490 96.7 138.1 67.7 4.4 58.1 96.1 35.6 264 264 A E < + 0 0 74 -3,-2.0 2,-0.4 2,-0.0 -1,-0.2 -0.690 27.0 178.1 -85.0 133.7 58.7 93.0 37.7 265 265 A V - 0 0 76 -2,-0.4 3,-0.1 -3,-0.1 -3,-0.0 -0.986 12.0-164.5-132.8 114.6 60.6 90.1 35.9 266 266 A S > - 0 0 12 -2,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.915 22.0-164.5-113.7 118.7 61.2 87.2 38.3 267 267 A P H > S+ 0 0 99 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.806 97.8 58.5 -64.5 -26.2 63.7 84.4 37.5 268 268 A E H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.910 104.4 50.1 -65.2 -46.5 62.0 82.4 40.3 269 269 A N H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.926 110.8 50.2 -56.8 -47.5 58.8 82.7 38.3 270 270 A H H X S+ 0 0 16 -4,-2.1 4,-2.1 1,-0.2 45,-0.3 0.890 109.8 48.6 -58.9 -46.4 60.5 81.5 35.1 271 271 A K H X S+ 0 0 91 -4,-2.1 4,-1.7 2,-0.2 5,-0.3 0.878 110.3 53.3 -65.9 -35.4 62.1 78.4 36.8 272 272 A F H X S+ 0 0 8 -4,-2.0 4,-2.6 2,-0.2 6,-0.5 0.945 112.5 42.3 -62.8 -50.6 58.7 77.6 38.3 273 273 A A H < S+ 0 0 5 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.854 118.3 49.6 -65.0 -30.4 57.0 77.7 34.9 274 274 A N H < S+ 0 0 36 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.707 127.3 16.7 -82.5 -21.2 60.0 75.8 33.5 275 275 A E H < S+ 0 0 99 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.2 0.542 101.2 79.2-130.2 -14.3 60.2 73.0 36.0 276 276 A S S < S- 0 0 5 -4,-2.6 -33,-0.3 2,-0.3 -3,-0.1 0.755 95.3-113.8 -71.7 -29.3 57.1 72.6 38.0 277 277 A G S S+ 0 0 26 1,-0.4 2,-0.3 -5,-0.3 -23,-0.2 0.507 91.7 78.9 102.6 5.9 55.0 70.7 35.5 278 278 A M S S- 0 0 8 -6,-0.5 -1,-0.4 -5,-0.1 -2,-0.3 -0.964 70.4-136.8-138.7 155.8 52.5 73.5 35.1 279 279 A S E -f 255 0A 8 -25,-2.6 -23,-2.6 -2,-0.3 2,-0.3 -0.229 26.4-117.8 -97.0-165.2 52.7 76.8 33.2 280 280 A L E -f 256 0A 0 -25,-0.3 41,-2.2 -2,-0.1 2,-0.2 -0.951 19.5 -97.6-140.3 162.5 51.6 80.3 34.4 281 281 A L B -o 321 0I 3 -25,-2.2 2,-1.7 -2,-0.3 -23,-0.3 -0.551 50.8-119.7 -69.5 130.4 49.2 83.2 33.9 282 282 A D > + 0 0 0 39,-3.2 4,-2.6 -2,-0.2 41,-0.4 -0.550 49.1 159.1 -85.9 79.8 51.4 85.7 32.0 283 283 A F H > S+ 0 0 0 -2,-1.7 4,-3.0 -25,-0.3 5,-0.3 0.792 74.5 58.7 -67.0 -32.1 51.5 88.7 34.3 284 284 A R H > S+ 0 0 28 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.919 111.1 41.7 -65.1 -39.7 54.7 90.0 32.6 285 285 A F H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.952 117.5 47.7 -69.9 -49.7 52.8 90.1 29.3 286 286 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.901 111.3 47.8 -59.0 -49.1 49.6 91.5 30.9 287 287 A Q H X S+ 0 0 18 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.880 113.9 48.6 -63.5 -38.8 51.3 94.3 32.9 288 288 A K H X S+ 0 0 27 -4,-1.4 4,-2.1 -5,-0.3 5,-0.2 0.870 108.0 54.0 -69.6 -35.0 53.4 95.4 29.9 289 289 A V H X>S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.5 0.896 109.8 49.1 -64.7 -36.0 50.3 95.4 27.7 290 290 A R H X>S+ 0 0 14 -4,-1.8 5,-3.2 3,-0.2 4,-1.6 0.903 109.8 49.8 -70.3 -43.1 48.6 97.7 30.2 291 291 A Q H <5S+ 0 0 8 -4,-2.1 6,-2.2 3,-0.2 7,-0.9 0.933 119.8 37.4 -58.1 -47.1 51.6 100.1 30.4 292 292 A V H <5S+ 0 0 3 -4,-2.1 -2,-0.2 4,-0.2 -1,-0.2 0.906 133.1 20.6 -73.4 -45.0 51.7 100.3 26.6 293 293 A F H <5S+ 0 0 7 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.682 134.2 26.7-100.6 -27.1 48.0 100.3 25.6 294 294 A R T <> - 0 0 41 -2,-0.3 3,-1.6 -3,-0.1 4,-1.3 -0.593 43.2 -71.5-122.4-171.6 56.1 102.3 24.5 300 300 A M H 3> S+ 0 0 0 116,-2.3 4,-2.7 1,-0.3 5,-0.2 0.755 124.2 61.6 -53.3 -32.2 56.5 99.7 21.7 301 301 A Y H 3> S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.836 105.4 48.5 -64.5 -31.9 60.1 99.1 22.5 302 302 A G H <> S+ 0 0 10 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.812 110.2 50.5 -77.1 -32.9 59.1 97.9 25.9 303 303 A L H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.917 112.2 49.2 -69.2 -40.3 56.4 95.6 24.4 304 304 A K H X S+ 0 0 51 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.882 109.0 50.2 -65.2 -42.3 59.1 94.2 22.1 305 305 A A H X S+ 0 0 56 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.866 110.3 51.0 -65.8 -34.1 61.6 93.6 24.8 306 306 A M H X S+ 0 0 7 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.953 110.8 49.1 -67.3 -45.1 58.9 91.7 26.8 307 307 A L H X S+ 0 0 10 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.926 118.1 39.0 -58.1 -47.7 58.1 89.6 23.8 308 308 A E H X S+ 0 0 104 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.864 117.0 49.5 -71.9 -39.5 61.7 88.8 23.1 309 309 A G H X S+ 0 0 19 -4,-2.9 4,-3.1 -5,-0.2 3,-0.2 0.952 113.2 45.8 -66.0 -50.1 62.7 88.4 26.7 310 310 A S H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.3 -2,-0.2 0.866 107.3 56.6 -62.5 -37.4 59.8 86.1 27.5 311 311 A A H < S+ 0 0 54 -4,-1.7 6,-0.3 -5,-0.3 -1,-0.2 0.885 116.3 39.7 -60.6 -36.5 60.3 83.9 24.4 312 312 A A H < S+ 0 0 79 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.889 118.0 46.3 -77.0 -44.1 63.9 83.4 25.8 313 313 A D H < S+ 0 0 56 -4,-3.1 2,-0.5 -5,-0.1 -2,-0.2 0.837 102.1 65.6 -71.8 -37.8 63.0 83.1 29.6 314 314 A Y >< - 0 0 4 -4,-2.7 3,-0.8 -5,-0.2 4,-0.1 -0.795 69.2-151.2 -90.8 124.6 60.1 80.6 29.3 315 315 A A T 3 S+ 0 0 41 -2,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.894 101.1 24.9 -59.7 -38.2 61.0 77.2 28.1 316 316 A Q T > S+ 0 0 13 1,-0.1 3,-2.1 -3,-0.1 -1,-0.3 -0.660 71.9 168.5-125.9 76.6 57.5 76.8 26.7 317 317 A V G X S+ 0 0 15 -3,-0.8 3,-1.6 -2,-0.4 -1,-0.1 0.798 73.8 68.5 -58.2 -26.9 56.4 80.4 26.1 318 318 A D G 3 S+ 0 0 23 1,-0.3 -1,-0.3 -3,-0.1 36,-0.1 0.564 92.6 58.4 -71.2 -6.8 53.4 79.0 24.2 319 319 A D G < S+ 0 0 13 -3,-2.1 2,-0.3 35,-0.1 -1,-0.3 0.420 79.6 110.1 -97.1 -5.5 51.9 77.6 27.4 320 320 A Q < - 0 0 1 -3,-1.6 35,-2.3 -4,-0.2 2,-0.8 -0.587 68.9-131.8 -76.4 131.7 51.8 80.9 29.2 321 321 A V E -op 281 355I 0 -41,-2.2 -39,-3.2 -2,-0.3 2,-0.1 -0.765 26.7-161.2 -91.1 104.1 48.2 82.2 29.6 322 322 A T E + p 0 356I 0 -2,-0.8 35,-2.5 33,-0.8 2,-0.3 -0.418 18.6 155.3 -83.8 160.6 48.0 85.8 28.5 323 323 A F - 0 0 5 -41,-0.4 -34,-0.2 33,-0.2 35,-0.1 -0.963 42.4-135.5-169.6 172.1 45.4 88.4 29.4 324 324 A I S S- 0 0 7 33,-0.4 2,-0.3 1,-0.4 34,-0.1 0.458 86.9 -5.9-117.8 -10.3 44.8 92.1 29.7 325 325 A D + 0 0 4 6,-0.1 -1,-0.4 7,-0.0 2,-0.3 -0.967 60.5 178.2-170.3 169.0 42.9 92.1 33.1 326 326 A N > - 0 0 2 -2,-0.3 3,-1.7 4,-0.2 -3,-0.0 -0.910 53.9 -66.2-163.1-173.7 41.4 89.7 35.7 327 327 A H T 3 S+ 0 0 1 1,-0.3 44,-0.2 -2,-0.3 47,-0.2 0.597 128.4 52.6 -63.0 -12.1 39.5 89.5 39.1 328 328 A D T 3 S+ 0 0 69 42,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.134 104.8 58.2-112.8 18.3 42.6 90.9 40.7 329 329 A M S < S- 0 0 11 -3,-1.7 2,-0.1 40,-0.1 -3,-0.1 -0.956 92.6 -91.8-138.2 161.9 43.2 94.0 38.6 330 330 A E - 0 0 89 -2,-0.3 39,-0.2 1,-0.1 -4,-0.2 -0.458 63.1 -87.1 -67.2 145.6 41.1 97.1 37.8 331 331 A R - 0 0 3 37,-2.9 37,-0.2 38,-0.3 -1,-0.1 -0.210 34.4-124.0 -57.5 139.7 39.2 96.5 34.6 332 332 A F S S+ 0 0 5 -3,-0.1 2,-0.6 35,-0.1 -1,-0.1 0.932 95.4 74.1 -51.7 -48.8 41.2 97.3 31.4 333 333 A H S S- 0 0 9 33,-0.5 35,-0.4 2,-0.0 2,-0.3 -0.601 73.6-154.4 -75.1 114.3 38.5 99.7 30.2 334 334 A A > - 0 0 27 -2,-0.6 3,-2.7 33,-0.1 -2,-0.0 -0.681 26.0-118.7 -86.6 137.7 38.5 103.0 32.2 335 335 A S T 3 S+ 0 0 106 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.788 115.9 41.0 -46.2 -35.5 35.0 104.6 32.2 336 336 A N T 3 S+ 0 0 151 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.404 96.4 115.7 -94.3 -0.7 36.5 107.7 30.5 337 337 A A S < S- 0 0 20 -3,-2.7 2,-0.3 1,-0.1 -4,-0.0 -0.349 74.3-106.4 -78.0 154.0 38.8 105.7 28.1 338 338 A N >> - 0 0 88 1,-0.2 3,-1.5 -2,-0.1 4,-0.5 -0.591 28.6-138.2 -72.8 128.6 38.8 105.5 24.3 339 339 A R H >> S+ 0 0 129 -2,-0.3 4,-2.3 1,-0.3 3,-0.7 0.745 95.8 75.5 -62.3 -24.5 37.5 102.0 23.6 340 340 A R H 3> S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.801 86.1 62.9 -58.5 -29.4 40.1 101.5 20.9 341 341 A K H <> S+ 0 0 62 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.916 108.1 41.3 -62.6 -41.9 42.7 101.0 23.6 342 342 A L H < S+ 0 0 5 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.915 110.1 53.7 -63.0 -44.6 46.6 89.3 22.8 350 350 A L H 3< S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.683 115.3 39.2 -64.0 -24.9 44.5 87.2 20.5 351 351 A T T 3< S+ 0 0 1 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.299 101.2 93.0-108.4 5.5 47.2 87.1 17.8 352 352 A S S < S- 0 0 0 -3,-1.1 -30,-0.1 -4,-0.4 -3,-0.0 -0.494 84.7 -82.2 -97.6 168.5 50.2 86.8 20.2 353 353 A R S S+ 0 0 2 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.250 89.1 34.5 -68.2 154.2 52.0 83.6 21.5 354 354 A G S S- 0 0 0 51,-0.4 -33,-0.2 50,-0.1 -36,-0.1 -0.819 104.1 -46.0 109.3-149.0 50.6 81.6 24.4 355 355 A V E -p 321 0I 0 -35,-2.3 -33,-0.8 -2,-0.3 2,-0.1 -0.935 57.0-137.3-129.2 101.8 47.0 80.8 25.4 356 356 A P E -p 322 0I 0 0, 0.0 -339,-3.0 0, 0.0 2,-0.4 -0.417 17.4-166.9 -67.5 136.5 44.8 83.9 25.4 357 357 A A E -b 17 0A 6 -35,-2.5 2,-0.5 -341,-0.2 -33,-0.4 -0.985 3.8-159.9-123.3 130.9 42.4 84.4 28.3 358 358 A I E -b 18 0A 8 -341,-2.7 -339,-2.9 -2,-0.4 2,-0.2 -0.938 18.6-130.8-112.1 121.4 39.5 86.9 28.3 359 359 A Y E > -b 19 0A 2 -2,-0.5 3,-1.7 -34,-0.2 4,-0.3 -0.499 43.4 -94.2 -70.2 131.7 37.9 88.1 31.6 360 360 A Y T 3 S+ 0 0 0 -341,-2.5 -1,-0.1 1,-0.2 -340,-0.0 -0.171 109.9 22.5 -48.5 136.1 34.1 87.8 31.3 361 361 A G T > >S+ 0 0 0 -3,-0.1 5,-1.8 17,-0.1 3,-0.9 0.464 82.5 116.1 86.3 0.7 32.5 91.1 30.2 362 362 A T G X 5S+ 0 0 3 -3,-1.7 3,-2.2 1,-0.2 -2,-0.1 0.916 76.1 56.7 -64.3 -41.8 35.6 92.6 28.5 363 363 A E G 3 5S+ 0 0 0 1,-0.3 25,-0.7 -4,-0.3 24,-0.3 0.558 104.7 53.9 -67.3 -8.3 33.8 92.5 25.2 364 364 A Q G < 5S- 0 0 25 -3,-0.9 -1,-0.3 23,-0.1 -2,-0.2 0.227 113.6-117.3-108.7 9.2 31.1 94.6 26.9 365 365 A Y T < 5 - 0 0 9 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.737 45.1-178.8 58.6 29.0 33.5 97.4 28.0 366 366 A M < - 0 0 19 -5,-1.8 -33,-0.5 10,-0.0 2,-0.3 -0.284 6.6-163.1 -57.0 139.4 32.8 96.7 31.7 367 367 A S + 0 0 45 -35,-0.1 2,-0.2 6,-0.1 -33,-0.1 -0.881 22.5 138.9-123.6 154.6 34.8 99.2 33.9 368 368 A G - 0 0 23 -35,-0.4 -37,-2.9 -2,-0.3 6,-0.2 -0.767 40.6-121.3 168.7 143.8 35.5 98.8 37.6 369 369 A G - 0 0 26 -39,-0.2 -38,-0.3 -2,-0.2 -40,-0.1 0.220 60.7 -41.9 -77.4-153.8 38.3 99.3 40.1 370 370 A T S > S- 0 0 82 3,-0.2 3,-2.7 1,-0.2 -1,-0.2 -0.085 94.0 -3.2 -74.4 172.7 39.7 96.6 42.3 371 371 A D T 3 S+ 0 0 85 1,-0.4 -1,-0.2 -44,-0.2 -324,-0.1 -0.046 131.1 6.8 -39.2 124.3 37.9 93.8 44.3 372 372 A P T > S+ 0 0 2 0, 0.0 3,-1.6 0, 0.0 -1,-0.4 -0.942 122.4 66.9-101.3 18.5 35.0 93.6 44.3 373 373 A D T < S+ 0 0 87 -3,-2.7 3,-0.4 1,-0.3 -2,-0.2 0.692 96.2 57.1 -70.7 -15.8 34.4 96.3 41.8 374 374 A N T 3 S+ 0 0 0 1,-0.2 -1,-0.3 -47,-0.2 -3,-0.1 0.359 97.4 70.5 -89.6 2.1 35.9 94.4 38.9 375 375 A R < + 0 0 8 -3,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.159 65.6 143.2-115.9 40.9 33.5 91.6 39.6 376 376 A A - 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