==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 02-JUN-10 2XGA . COMPND 2 MOLECULE: SURFACE PRESENTATION OF ANTIGENS PROTEIN SPAK; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR J.E.D.LILLINGTON,S.JOHNSON,S.M.LEA . 255 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13397.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 22.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 1 0 0 1 0 2 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 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 . 2 2 1 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 4 A I 0 0 97 0, 0.0 2,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 119.6 18.6 29.6 5.4 2 5 A N > + 0 0 91 1,-0.2 4,-2.2 2,-0.1 5,-0.1 -0.760 360.0 179.1 -90.3 88.9 17.3 29.5 1.8 3 6 A L H > S+ 0 0 10 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.794 75.0 54.1 -68.0 -31.8 20.7 28.8 0.2 4 7 A V H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.903 111.3 46.2 -67.5 -42.3 19.4 28.6 -3.4 5 8 A Q H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.896 112.3 51.3 -64.5 -43.1 17.8 32.1 -3.0 6 9 A L H X S+ 0 0 12 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.913 113.9 43.8 -58.2 -46.4 21.0 33.5 -1.3 7 10 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.932 113.7 47.1 -71.4 -50.4 23.3 32.2 -4.1 8 11 A R H X S+ 0 0 96 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.930 115.4 48.3 -54.7 -46.1 21.1 33.2 -7.1 9 12 A D H X S+ 0 0 74 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.857 108.4 53.7 -66.2 -36.8 20.7 36.6 -5.5 10 13 A S H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.893 110.0 48.1 -59.9 -41.7 24.4 36.9 -4.9 11 14 A L H <>S+ 0 0 12 -4,-2.1 5,-2.4 1,-0.2 -2,-0.2 0.769 109.4 50.8 -79.2 -27.6 25.2 36.2 -8.5 12 15 A F H ><5S+ 0 0 141 -4,-1.8 3,-2.2 3,-0.2 -1,-0.2 0.928 103.8 60.8 -63.4 -48.7 22.6 38.7 -9.9 13 16 A T H 3<5S+ 0 0 77 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.758 110.9 38.2 -55.1 -30.9 24.1 41.4 -7.7 14 17 A I T 3<5S- 0 0 88 -4,-0.8 -1,-0.3 2,-0.0 -2,-0.2 0.254 114.9-112.4-106.3 12.1 27.5 41.1 -9.3 15 18 A G T < 5 + 0 0 65 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.784 58.3 158.7 68.2 30.0 26.2 40.6 -12.9 16 19 A C < - 0 0 50 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.0 -0.481 48.5-100.3 -75.2 154.8 27.3 37.0 -13.4 17 20 A P > - 0 0 67 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.509 19.7-133.1 -76.9 150.6 25.5 35.0 -16.0 18 21 A P G > S+ 0 0 93 0, 0.0 3,-1.1 0, 0.0 -6,-0.0 0.617 93.3 82.8 -77.1 -11.0 22.8 32.6 -14.8 19 22 A S G 3 S+ 0 0 101 1,-0.2 12,-0.1 3,-0.0 -3,-0.0 0.646 79.3 66.9 -63.6 -18.2 24.1 29.8 -17.0 20 23 A I G < S+ 0 0 27 -3,-0.9 11,-2.9 10,-0.1 2,-0.3 0.535 82.1 83.5 -89.2 -7.3 26.8 28.8 -14.5 21 24 A I E < +A 30 0A 16 -3,-1.1 2,-0.3 9,-0.2 9,-0.2 -0.789 46.8 169.1-107.4 141.1 24.7 27.4 -11.6 22 25 A T E A 29 0A 77 7,-1.8 7,-2.0 -2,-0.3 5,-0.1 -0.939 360.0 360.0-139.3 160.9 23.2 23.9 -11.1 23 26 A D 0 0 130 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.979 360.0 360.0-149.1 360.0 21.5 21.9 -8.3 24 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 25 30 A H 0 0 231 0, 0.0 16,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 155.2 18.0 20.2 -1.5 26 31 A S - 0 0 58 14,-0.0 2,-0.2 -3,-0.0 15,-0.1 0.517 360.0 -89.5-101.2-155.2 21.5 20.1 -2.8 27 32 A A - 0 0 41 13,-0.3 2,-0.4 -5,-0.1 14,-0.2 -0.087 50.1-147.9 -90.4 160.3 24.6 20.6 -3.2 28 33 A I E - B 0 40A 2 12,-2.7 12,-2.3 -5,-0.2 2,-0.4 -0.837 8.2-153.0-102.7 138.2 24.8 23.6 -5.6 29 34 A T E -AB 22 39A 33 -7,-2.0 -7,-1.8 -2,-0.4 2,-0.6 -0.899 9.7-160.7-116.0 135.8 27.6 24.0 -8.2 30 35 A I E -AB 21 38A 7 8,-2.2 8,-2.3 -2,-0.4 2,-0.3 -0.951 19.7-149.9-112.8 111.7 29.0 27.2 -9.8 31 36 A S + 0 0 55 -11,-2.9 2,-0.3 -2,-0.6 6,-0.1 -0.616 18.6 176.0 -84.4 134.1 30.9 26.3 -13.0 32 37 A L > - 0 0 51 3,-0.5 3,-1.0 -2,-0.3 2,-0.2 -0.950 35.3 -96.0-135.2 154.2 33.8 28.5 -14.1 33 38 A D T 3 S+ 0 0 151 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.488 98.6 0.8 -83.9 140.3 36.1 27.9 -17.1 34 39 A S T 3 S+ 0 0 116 -2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.719 119.8 81.9 60.7 26.9 39.5 26.2 -16.8 35 40 A M S < S- 0 0 30 -3,-1.0 -3,-0.5 18,-0.0 -1,-0.2 -0.990 87.8 -84.3-154.3 157.4 38.9 25.7 -13.1 36 41 A P - 0 0 26 0, 0.0 17,-0.1 0, 0.0 89,-0.0 -0.336 52.7-109.0 -57.9 144.0 37.2 23.5 -10.5 37 42 A A - 0 0 27 15,-0.1 2,-0.6 -6,-0.1 15,-0.4 -0.306 27.8-114.2 -68.6 157.5 33.5 24.4 -9.8 38 43 A I E -B 30 0A 4 -8,-2.3 -8,-2.2 13,-0.1 2,-0.4 -0.894 29.8-156.1 -94.5 120.4 32.6 26.0 -6.5 39 44 A N E -BC 29 50A 27 11,-2.8 11,-2.1 -2,-0.6 2,-0.4 -0.804 12.0-175.8 -98.7 139.7 30.4 23.7 -4.5 40 45 A I E +BC 28 49A 0 -12,-2.3 -12,-2.7 -2,-0.4 -13,-0.3 -0.998 12.5 149.4-136.2 133.8 28.0 25.2 -1.9 41 46 A A E - C 0 48A 10 7,-2.0 7,-2.5 -2,-0.4 2,-0.7 -0.992 49.2-104.4-160.7 159.3 25.8 23.5 0.6 42 47 A L E + C 0 47A 58 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.816 40.0 179.5 -83.9 114.2 24.1 23.5 4.0 43 48 A V E > S- C 0 46A 59 3,-2.9 3,-0.7 -2,-0.7 -2,-0.0 -0.911 71.1 -25.5-124.3 99.0 26.1 21.0 6.1 44 49 A N T 3 S- 0 0 146 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.967 126.0 -48.1 54.8 57.5 24.7 20.8 9.6 45 50 A E T 3 S+ 0 0 161 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.415 121.0 100.0 73.9 0.4 23.2 24.2 9.7 46 51 A Q E < S-C 43 0A 86 -3,-0.7 -3,-2.9 54,-0.0 2,-0.3 -0.945 74.8-119.0-122.2 140.3 26.3 26.0 8.3 47 52 A V E -C 42 0A 4 52,-0.5 52,-2.7 -2,-0.4 2,-0.4 -0.591 33.9-167.4 -75.1 131.0 27.0 27.1 4.7 48 53 A M E -CD 41 98A 27 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.4 -0.976 9.3-164.5-124.7 138.2 30.1 25.3 3.4 49 54 A L E +CD 40 97A 0 48,-2.7 48,-2.6 -2,-0.4 2,-0.3 -0.957 17.1 166.1-116.8 140.8 32.1 26.1 0.2 50 55 A W E -CD 39 96A 45 -11,-2.1 -11,-2.8 -2,-0.4 2,-0.4 -0.996 21.5-161.8-155.7 156.1 34.6 23.8 -1.4 51 56 A A E - D 0 95A 0 44,-2.1 44,-2.3 -2,-0.3 2,-0.6 -0.997 16.2-142.2-141.1 127.9 36.6 23.2 -4.5 52 57 A N E - D 0 94A 41 -2,-0.4 2,-0.4 -15,-0.4 42,-0.2 -0.830 17.6-173.6-100.2 116.9 38.2 19.9 -5.6 53 58 A F E - D 0 93A 6 40,-2.9 40,-3.5 -2,-0.6 -2,-0.0 -0.902 36.9 -99.7-107.8 136.7 41.6 20.1 -7.3 54 59 A D E - D 0 92A 126 -2,-0.4 38,-0.3 38,-0.2 37,-0.1 -0.276 50.6 -99.6 -51.4 128.4 43.3 17.1 -8.8 55 60 A A - 0 0 45 36,-2.5 -1,-0.1 1,-0.1 3,-0.1 -0.308 42.7-125.8 -52.1 122.1 45.9 15.8 -6.3 56 61 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 72,-0.0 -0.400 26.8 -98.7 -67.8 152.3 49.2 17.2 -7.5 57 62 A S > - 0 0 77 1,-0.1 4,-1.8 -2,-0.1 5,-0.1 -0.247 38.1-109.8 -56.2 161.2 52.1 14.8 -8.1 58 63 A D H > S+ 0 0 96 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.851 117.6 52.3 -67.9 -35.3 54.5 14.8 -5.2 59 64 A V H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.918 109.1 50.4 -68.2 -40.8 57.3 16.5 -7.1 60 65 A K H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.873 107.6 54.1 -62.6 -39.5 54.9 19.3 -8.1 61 66 A L H X S+ 0 0 5 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.889 107.4 51.8 -60.1 -41.7 53.8 19.7 -4.5 62 67 A Q H < S+ 0 0 113 -4,-1.8 4,-0.4 1,-0.2 3,-0.3 0.898 112.4 43.8 -63.0 -43.9 57.5 20.1 -3.5 63 68 A S H < S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.784 123.1 37.7 -74.1 -26.1 58.1 22.9 -6.0 64 69 A S H X S+ 0 0 6 -4,-1.9 4,-2.4 -5,-0.2 3,-0.3 0.425 87.3 102.4 -98.5 -1.8 54.8 24.6 -5.2 65 70 A A H X S+ 0 0 0 -4,-0.9 4,-3.1 -3,-0.3 5,-0.2 0.862 79.0 50.3 -58.5 -44.5 54.9 24.0 -1.4 66 71 A Y H > S+ 0 0 44 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.917 114.3 44.6 -59.0 -45.6 56.0 27.5 -0.4 67 72 A N H > S+ 0 0 81 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.849 115.9 47.4 -67.8 -36.4 53.3 29.2 -2.5 68 73 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.867 111.4 50.6 -73.6 -37.9 50.6 26.7 -1.3 69 74 A L H X S+ 0 0 3 -4,-3.1 4,-2.0 -5,-0.2 -2,-0.2 0.910 110.0 50.1 -63.0 -43.9 51.7 27.2 2.4 70 75 A N H X S+ 0 0 43 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.905 108.9 52.9 -62.3 -40.2 51.5 31.0 2.0 71 76 A L H >< S+ 0 0 7 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.893 110.3 47.0 -58.7 -43.1 48.0 30.7 0.5 72 77 A M H 3< S+ 0 0 22 -4,-1.8 12,-0.4 1,-0.2 -1,-0.2 0.809 107.2 55.8 -75.7 -29.1 46.8 28.6 3.5 73 78 A L H 3< S+ 0 0 10 -4,-2.0 145,-0.3 -5,-0.1 -1,-0.2 0.608 84.6 113.3 -74.3 -10.7 48.3 30.9 6.1 74 79 A M S << S- 0 0 55 -3,-0.7 10,-0.4 -4,-0.6 -3,-0.0 -0.424 76.6-112.1 -65.3 129.5 46.3 33.8 4.5 75 80 A N - 0 0 96 -2,-0.2 2,-0.3 8,-0.1 8,-0.2 -0.333 27.8-169.8 -57.1 136.7 43.6 35.2 6.7 76 81 A F > - 0 0 0 6,-2.6 3,-1.9 1,-0.1 6,-0.1 -0.828 2.8-170.0-129.8 92.0 40.0 34.4 5.5 77 82 A S T 3 S+ 0 0 45 -2,-0.3 5,-0.1 1,-0.3 -1,-0.1 0.707 79.0 61.5 -66.0 -21.7 37.8 36.6 7.8 78 83 A Y T 3 S+ 0 0 43 4,-0.1 22,-2.2 35,-0.1 -1,-0.3 0.640 87.0 95.0 -79.2 -13.6 34.5 35.1 6.7 79 84 A S B X S-F 99 0B 0 -3,-1.9 3,-0.8 20,-0.2 20,-0.2 -0.491 81.4-126.2 -76.8 145.6 35.5 31.6 8.0 80 85 A I T 3 S+ 0 0 81 18,-1.9 -1,-0.1 1,-0.3 19,-0.1 0.821 117.9 29.3 -58.8 -32.7 34.5 30.4 11.5 81 86 A N T 3 S- 0 0 23 2,-0.3 -1,-0.3 17,-0.2 3,-0.1 0.213 114.2-119.1-108.2 8.8 38.2 29.6 12.2 82 87 A E S < S+ 0 0 76 -3,-0.8 -6,-2.6 1,-0.2 2,-0.3 0.616 80.0 97.2 60.8 21.0 39.3 32.4 9.8 83 88 A L S S- 0 0 16 -8,-0.2 2,-0.5 -6,-0.1 -2,-0.3 -0.854 74.2-124.5-125.9 160.9 41.2 30.0 7.5 84 89 A V - 0 0 6 -12,-0.4 2,-0.3 -10,-0.4 13,-0.2 -0.951 38.5-138.5 -96.3 129.8 40.6 28.2 4.3 85 90 A E E -E 96 0A 15 11,-3.0 11,-2.6 -2,-0.5 2,-0.5 -0.658 7.2-147.9 -92.3 146.0 41.3 24.6 5.0 86 91 A L E -E 95 0A 13 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.978 16.6-170.3-116.4 121.7 43.1 22.3 2.7 87 92 A H E -E 94 0A 13 7,-2.6 7,-3.4 -2,-0.5 2,-0.5 -0.932 10.0-147.6-115.3 136.7 42.0 18.6 2.7 88 93 A R E +E 93 0A 105 -2,-0.4 2,-0.3 115,-0.4 5,-0.2 -0.905 21.7 165.6-105.5 126.9 43.8 15.7 1.0 89 94 A S - 0 0 60 3,-3.2 -34,-0.0 -2,-0.5 -2,-0.0 -0.783 53.7 -94.1-121.3 174.5 41.9 12.7 -0.4 90 95 A D S S+ 0 0 173 -2,-0.3 -35,-0.1 1,-0.2 3,-0.0 0.892 124.8 24.1 -55.7 -43.3 43.3 10.1 -2.7 91 96 A E S S+ 0 0 125 1,-0.1 -36,-2.5 -37,-0.1 2,-0.3 0.733 122.0 51.1 -94.4 -26.7 42.0 11.9 -5.8 92 97 A Y E -D 54 0A 69 -38,-0.3 -3,-3.2 -37,-0.1 2,-0.6 -0.875 49.2-155.0-128.8 148.0 41.8 15.5 -4.6 93 98 A L E -DE 53 88A 3 -40,-3.5 -40,-2.9 -2,-0.3 2,-0.5 -0.989 41.5-160.1-102.7 118.4 43.4 18.4 -2.9 94 99 A Q E -DE 52 87A 31 -7,-3.4 -7,-2.6 -2,-0.6 2,-0.4 -0.914 18.3-151.7-116.9 121.6 40.3 20.2 -1.6 95 100 A L E +DE 51 86A 0 -44,-2.3 -44,-2.1 -2,-0.5 2,-0.4 -0.765 29.3 177.7 -83.6 132.4 39.9 23.8 -0.5 96 101 A R E +DE 50 85A 67 -11,-2.6 -11,-3.0 -2,-0.4 2,-0.3 -0.997 15.8 174.5-140.9 140.6 37.1 24.1 2.1 97 102 A V E -D 49 0A 0 -48,-2.6 -48,-2.7 -2,-0.4 2,-0.6 -0.996 21.8-146.1-144.1 142.0 35.6 26.8 4.2 98 103 A V E -D 48 0A 13 -2,-0.3 -18,-1.9 -50,-0.2 -50,-0.2 -0.942 30.3-134.2-103.5 116.8 32.6 26.9 6.6 99 104 A I B -F 79 0B 3 -52,-2.7 -52,-0.5 -2,-0.6 -20,-0.2 -0.490 15.8-120.9 -81.2 142.5 31.0 30.3 6.4 100 105 A K > - 0 0 60 -22,-2.2 3,-1.9 -2,-0.2 4,-0.1 -0.481 22.9-112.0 -85.4 147.6 30.1 32.2 9.5 101 106 A D G > S+ 0 0 95 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.808 108.4 66.0 -50.1 -46.0 26.5 33.2 10.3 102 107 A D G 3 S+ 0 0 132 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.764 104.5 47.8 -48.9 -28.3 27.0 37.0 10.0 103 108 A Y G < S+ 0 0 59 -3,-1.9 -1,-0.3 -25,-0.2 -2,-0.2 0.274 97.9 66.9-102.3 11.3 27.7 36.6 6.2 104 109 A V S < S+ 0 0 8 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.1 0.242 82.4 68.5-120.5 14.7 24.9 34.3 5.0 105 110 A H S S+ 0 0 129 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.1 0.483 95.1 61.5-103.8 -3.8 21.7 36.4 5.4 106 111 A D > - 0 0 74 1,-0.1 4,-2.8 -3,-0.1 5,-0.1 -0.985 61.3-155.9-137.9 123.3 22.5 38.8 2.7 107 112 A G H > S+ 0 0 14 -2,-0.4 4,-1.4 2,-0.2 -1,-0.1 0.800 98.9 52.9 -68.4 -30.4 23.1 38.3 -1.1 108 113 A I H > S+ 0 0 114 2,-0.2 4,-0.7 1,-0.1 -1,-0.2 0.935 114.3 40.9 -73.4 -45.6 25.3 41.4 -1.4 109 114 A V H >> S+ 0 0 51 1,-0.2 3,-1.3 2,-0.2 4,-1.3 0.951 113.2 54.8 -63.4 -48.1 27.6 40.4 1.4 110 115 A F H 3X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.792 97.9 63.3 -60.3 -29.5 27.6 36.7 0.3 111 116 A A H 3X S+ 0 0 3 -4,-1.4 4,-1.8 1,-0.2 -1,-0.3 0.845 101.6 51.9 -61.2 -33.6 28.8 37.7 -3.2 112 117 A E H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 3,-0.8 0.889 110.9 53.6 -65.5 -38.8 46.0 27.6 -5.9 125 130 A N H 3< S+ 0 0 67 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.863 102.8 60.1 -62.0 -34.5 45.2 26.8 -9.6 126 131 A G H 3< S+ 0 0 66 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.726 109.6 39.3 -68.2 -26.3 48.2 29.0 -10.6 127 132 A V H << 0 0 25 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.426 360.0 360.0-106.7 -2.0 50.7 26.8 -8.8 128 133 A L < 0 0 60 -4,-0.8 -2,-0.2 -3,-0.5 -3,-0.2 0.773 360.0 360.0 -96.6 360.0 49.2 23.4 -9.6 129 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 130 4 B I 0 0 94 0, 0.0 2,-0.9 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 161.6 33.3 19.0 31.6 131 5 B N > - 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0 0 69 -22,-2.5 3,-2.4 -2,-0.2 4,-0.2 -0.445 25.4-119.0 -66.1 140.7 35.3 16.6 19.3 231 106 B D G > S+ 0 0 108 1,-0.3 3,-1.3 2,-0.2 4,-0.1 0.786 109.2 69.9 -49.8 -32.9 33.0 16.2 22.3 232 107 B D G 3 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.678 101.6 44.7 -60.6 -18.7 33.2 12.4 21.9 233 108 B Y G < S+ 0 0 63 -3,-2.4 -1,-0.2 -25,-0.2 -2,-0.2 0.268 94.7 73.0-113.9 9.5 36.9 12.4 23.1 234 109 B V S < S+ 0 0 7 -3,-1.3 -1,-0.1 -4,-0.2 -2,-0.1 0.193 84.0 67.4-112.0 14.6 36.9 14.7 26.1 235 110 B H S S+ 0 0 117 -3,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.514 91.3 61.4-111.4 -8.3 35.1 12.5 28.6 236 111 B D > - 0 0 72 -3,-0.2 4,-2.6 1,-0.1 -1,-0.2 -0.986 61.2-157.3-129.2 119.2 37.7 9.8 29.1 237 112 B G H > S+ 0 0 12 -2,-0.4 4,-1.5 2,-0.2 -1,-0.1 0.823 96.8 53.8 -63.6 -33.0 41.2 10.5 30.5 238 113 B I H > S+ 0 0 114 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.918 113.2 41.5 -70.6 -44.7 42.6 7.4 28.8 239 114 B V H >> S+ 0 0 54 1,-0.2 4,-1.3 2,-0.2 3,-0.6 0.897 112.4 55.9 -67.3 -39.9 41.3 8.4 25.4 240 115 B F H 3X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.807 98.2 61.7 -65.2 -31.3 42.3 12.0 25.9 241 116 B A H 3X S+ 0 0 3 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.871 102.3 51.9 -60.4 -37.7 46.0 11.0 26.7 242 117 B E H X S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 4,-0.6 0.940 111.1 51.4 -64.3 -46.8 56.9 21.0 13.2 255 130 B N H >< S+ 0 0 71 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.839 102.6 63.0 -55.5 -35.2 59.7 21.8 15.7 256 131 B G H 3< S+ 0 0 65 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.792 108.3 39.2 -61.6 -31.4 62.0 19.6 13.7 257 132 B V H << 0 0 26 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.347 360.0 360.0-105.9 3.0 61.8 21.8 10.6 258 133 B L << 0 0 59 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.404 360.0 360.0-101.4 360.0 61.9 25.2 12.3