==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 13-APR-10 3AH2 . COMPND 2 MOLECULE: MAIN HEMAGGLUTININ COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR T.NAKAMURA,T.TONOZUKA,A.IDE,T.YUZAWA,K.OGUMA,A.NISHIKAWA . 566 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 67.3 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 . 215 38.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 52 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 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 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 . 26 3 2 6 12 6 0 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 . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 1 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 T 0 0 88 0, 0.0 3,-0.2 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0 154.0 39.8 3.3 23.9 2 5 A N > + 0 0 29 1,-0.1 3,-1.8 2,-0.1 187,-0.0 0.319 360.0 99.6 -97.3 5.7 38.8 1.1 20.9 3 6 A A T 3 S+ 0 0 2 1,-0.3 138,-0.2 3,-0.0 -1,-0.1 0.741 80.2 51.5 -64.4 -23.4 35.4 0.6 22.4 4 7 A N T 3 S+ 0 0 39 -3,-0.2 -1,-0.3 133,-0.1 132,-0.1 0.272 79.7 135.1 -96.9 9.3 33.9 3.2 20.2 5 8 A D S < S- 0 0 19 -3,-1.8 2,-2.6 1,-0.1 -3,-0.0 -0.199 73.3-101.0 -56.6 150.6 35.3 1.8 16.9 6 9 A L + 0 0 0 86,-0.0 375,-0.2 132,-0.0 -1,-0.1 -0.289 61.2 169.6 -78.5 57.9 32.8 1.6 14.0 7 10 A R > - 0 0 38 -2,-2.6 3,-1.2 1,-0.1 40,-0.3 -0.378 39.7-106.3 -72.1 143.3 32.2 -2.1 14.4 8 11 A N T 3 S+ 0 0 77 1,-0.2 40,-0.2 -2,-0.1 -1,-0.1 -0.427 103.6 19.1 -59.8 142.6 29.4 -4.0 12.6 9 12 A N T 3 S+ 0 0 55 38,-2.5 2,-0.3 1,-0.3 -1,-0.2 0.661 93.9 124.3 70.3 17.7 26.5 -4.8 14.9 10 13 A E < - 0 0 28 -3,-1.2 37,-2.5 37,-0.2 2,-0.4 -0.804 55.7-131.6-104.3 157.0 27.3 -2.3 17.6 11 14 A V E -A 46 0A 3 -2,-0.3 128,-2.2 35,-0.2 129,-0.4 -0.898 30.8-177.9-113.0 135.0 24.9 0.4 18.9 12 15 A F E -AB 45 138A 0 33,-3.0 33,-2.2 -2,-0.4 2,-0.4 -0.881 35.8-126.9-132.9 155.5 25.9 4.0 19.2 13 16 A F E - B 0 137A 3 124,-2.7 124,-2.5 -2,-0.3 2,-0.6 -0.873 32.6-151.5 -86.8 136.3 25.0 7.5 20.1 14 17 A I E - B 0 136A 1 -2,-0.4 10,-2.6 29,-0.3 122,-0.2 -0.965 21.1-178.9-115.1 113.8 25.9 9.7 17.1 15 18 A S E - B 0 135A 1 120,-3.1 120,-2.7 -2,-0.6 8,-0.2 -0.812 33.4-105.3-115.2 151.7 26.8 13.2 18.1 16 19 A P E > - B 0 134A 1 0, 0.0 3,-1.6 0, 0.0 118,-0.2 -0.488 34.4-122.6 -66.5 146.5 27.8 16.4 16.3 17 20 A S T 3 S+ 0 0 29 116,-2.4 3,-0.2 113,-0.5 117,-0.1 0.794 110.8 56.9 -62.4 -25.0 31.6 17.0 16.7 18 21 A N T 3 S+ 0 0 108 115,-0.3 -1,-0.3 112,-0.2 2,-0.2 0.495 114.9 32.1 -85.1 -5.5 30.8 20.4 18.2 19 22 A N X - 0 0 52 -3,-1.6 3,-1.4 3,-0.1 -1,-0.2 -0.712 51.3-174.6-159.3 100.7 28.6 19.0 21.1 20 23 A T T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.1 0.605 87.8 64.6 -71.4 -11.5 28.9 15.7 22.8 21 24 A N T 3 S+ 0 0 99 15,-0.0 16,-2.5 -5,-0.0 2,-0.4 0.338 92.1 72.5 -97.1 4.9 25.7 16.4 24.8 22 25 A K E < -X 36 0B 58 -3,-1.4 2,-0.3 14,-0.2 14,-0.2 -0.937 64.3-175.7-115.3 146.1 23.5 16.3 21.6 23 26 A V E -X 35 0B 0 12,-2.6 12,-2.2 -2,-0.4 2,-0.3 -0.949 37.8 -88.5-138.0 154.6 22.7 13.1 19.8 24 27 A L E -X 34 0B 2 -10,-2.6 2,-0.4 -2,-0.3 -10,-0.2 -0.526 53.3-168.3 -61.4 125.3 20.9 12.0 16.6 25 28 A D E -X 33 0B 8 8,-2.4 8,-2.1 -2,-0.3 2,-1.1 -0.979 28.6-142.2-131.5 121.6 17.3 11.5 17.7 26 29 A K E +X 32 0B 6 16,-2.8 6,-0.2 -2,-0.4 18,-0.1 -0.763 29.9 174.6 -76.5 100.4 14.4 9.9 16.0 27 30 A I + 0 0 90 4,-1.5 2,-0.2 -2,-1.1 -1,-0.2 0.738 58.2 6.8 -84.3 -24.0 11.7 12.4 17.2 28 31 A S S S- 0 0 42 3,-1.4 0, 0.0 -3,-0.1 0, 0.0 -0.666 97.0 -72.9-141.9-167.6 8.7 11.1 15.3 29 32 A Q S S+ 0 0 120 -2,-0.2 3,-0.0 1,-0.2 -3,-0.0 0.735 128.9 7.2 -70.8 -15.3 7.7 8.2 13.0 30 33 A S S S+ 0 0 50 48,-0.1 49,-2.6 50,-0.0 2,-0.3 0.553 109.5 89.1-135.3 -20.6 9.8 9.7 10.2 31 34 A E - 0 0 88 47,-0.2 -4,-1.5 -5,-0.0 -3,-1.4 -0.662 46.4-163.8-103.5 145.0 11.9 12.6 11.4 32 35 A V E +X 26 0B 16 45,-0.3 89,-0.4 -2,-0.3 2,-0.3 -0.893 14.8 163.6-117.8 151.5 15.3 13.0 12.9 33 36 A K E -X 25 0B 64 -8,-2.1 -8,-2.4 -2,-0.3 2,-0.3 -0.981 43.3 -99.9-157.4 152.7 16.9 15.9 14.7 34 37 A L E +X 24 0B 1 85,-3.2 2,-0.3 -2,-0.3 -10,-0.2 -0.680 53.6 174.2 -76.6 139.1 19.9 16.6 17.0 35 38 A W E -X 23 0B 114 -12,-2.2 -12,-2.6 -2,-0.3 3,-0.1 -0.975 39.9 -77.9-146.2 152.6 18.6 16.6 20.6 36 39 A N E -X 22 0B 95 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.265 64.1 -97.3 -43.4 132.1 19.8 16.8 24.2 37 40 A K + 0 0 44 -16,-2.5 -1,-0.1 1,-0.2 -15,-0.0 -0.444 59.6 151.1 -65.4 123.4 21.1 13.4 25.2 38 41 A L - 0 0 113 -2,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.373 50.2-128.5-129.8 -8.1 18.5 11.4 27.1 39 42 A S + 0 0 57 1,-0.2 2,-0.2 4,-0.1 -2,-0.1 0.769 52.8 150.0 51.4 33.4 19.4 7.8 26.3 40 43 A G > - 0 0 28 1,-0.1 3,-1.8 22,-0.0 -1,-0.2 -0.531 63.8-108.0 -75.2 162.4 15.8 6.8 25.2 41 44 A A G > S+ 0 0 34 1,-0.3 3,-1.4 2,-0.2 20,-1.0 0.682 117.7 71.9 -72.2 -16.9 16.1 4.0 22.5 42 45 A N G 3 S+ 0 0 48 1,-0.2 -16,-2.8 19,-0.2 -1,-0.3 0.470 95.4 54.3 -72.4 -4.1 15.1 6.5 19.9 43 46 A Q G < S+ 0 0 0 -3,-1.8 2,-0.4 -18,-0.2 -29,-0.3 0.201 94.3 88.0-107.4 10.3 18.6 8.0 20.4 44 47 A K < - 0 0 25 -3,-1.4 17,-1.9 -31,-0.1 2,-0.4 -0.928 56.7-166.8-120.1 138.7 20.4 4.7 19.8 45 48 A W E -AC 12 60A 0 -33,-2.2 -33,-3.0 -2,-0.4 2,-0.4 -0.986 10.5-148.8-132.3 124.6 21.6 3.4 16.4 46 49 A R E -AC 11 59A 1 13,-2.9 13,-2.7 -2,-0.4 2,-0.4 -0.788 17.5-137.4 -90.7 134.1 22.8 -0.1 15.3 47 50 A L E - C 0 58A 0 -37,-2.5 -38,-2.5 -2,-0.4 2,-0.5 -0.765 16.9-171.7 -89.1 131.2 25.3 -0.3 12.5 48 51 A I E - C 0 57A 62 9,-2.5 9,-2.7 -2,-0.4 2,-0.3 -0.943 14.4-150.1-123.9 108.6 24.7 -3.0 9.9 49 52 A Y E - C 0 56A 26 -2,-0.5 2,-0.6 7,-0.2 7,-0.2 -0.620 6.3-155.6 -85.8 136.5 27.6 -3.4 7.6 50 53 A D E >> - C 0 55A 38 5,-3.1 4,-1.8 -2,-0.3 5,-1.4 -0.944 4.4-164.3-108.9 109.3 27.1 -4.5 4.0 51 54 A T T 45S+ 0 0 106 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.859 86.2 57.5 -67.9 -36.8 30.5 -6.0 2.8 52 55 A N T 45S+ 0 0 139 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.903 119.1 31.3 -56.5 -44.2 29.5 -5.9 -0.9 53 56 A K T 45S- 0 0 42 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.672 96.8-136.5 -87.1 -19.6 28.9 -2.2 -0.7 54 57 A Q T <5S+ 0 0 43 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.853 73.2 107.1 57.0 37.8 31.5 -1.5 2.0 55 58 A A E < -C 50 0A 0 -5,-1.4 -5,-3.1 36,-0.1 2,-0.3 -0.895 62.3-126.8-141.2 164.0 28.8 0.7 3.4 56 59 A Y E -CD 49 90A 0 34,-3.3 34,-2.3 -2,-0.3 2,-0.3 -0.856 4.9-137.2-119.5 150.2 26.4 0.6 6.4 57 60 A K E -C 48 0A 24 -9,-2.7 -9,-2.5 -2,-0.3 2,-0.5 -0.773 21.5-147.3 -89.9 150.1 22.8 0.8 7.3 58 61 A I E -C 47 0A 0 30,-0.4 10,-2.5 -2,-0.3 2,-0.5 -0.953 19.5-168.4-124.5 103.4 22.1 2.9 10.4 59 62 A K E -CE 46 67A 17 -13,-2.7 -13,-2.9 -2,-0.5 8,-0.2 -0.851 19.1-126.8-108.6 126.9 19.0 1.5 12.2 60 63 A V E -C 45 0A 0 6,-2.4 5,-0.4 -2,-0.5 3,-0.3 -0.311 13.3-144.5 -65.7 150.6 17.1 3.1 15.1 61 64 A M S S+ 0 0 0 -17,-1.9 176,-0.7 -20,-1.0 -19,-0.2 0.126 71.5 102.3-107.9 21.6 16.7 1.0 18.2 62 65 A D S S- 0 0 35 -18,-0.2 -1,-0.2 -21,-0.1 -20,-0.1 0.334 102.4 -98.6 -89.1 9.1 13.3 2.1 19.3 63 66 A N S S+ 0 0 96 -3,-0.3 -2,-0.1 -22,-0.2 -1,-0.1 0.083 106.2 98.1 93.9 -16.3 11.6 -1.1 17.9 64 67 A T S S- 0 0 45 1,-0.1 -3,-0.1 2,-0.1 171,-0.0 0.696 75.7-145.9 -72.4 -20.7 10.4 0.5 14.7 65 68 A S + 0 0 50 -5,-0.4 17,-0.3 1,-0.2 -4,-0.1 0.581 41.7 154.5 65.7 14.6 13.5 -0.9 12.7 66 69 A L - 0 0 22 15,-0.1 -6,-2.4 -7,-0.1 2,-0.3 -0.378 30.8-144.7 -75.9 152.8 13.5 2.3 10.5 67 70 A I E -EF 59 80A 3 13,-2.8 13,-2.3 -8,-0.2 -8,-0.2 -0.889 24.6 -92.3-124.2 149.1 16.8 3.2 9.0 68 71 A L E - F 0 79A 1 -10,-2.5 2,-0.4 -2,-0.3 -10,-0.3 -0.380 52.3-174.4 -62.0 127.4 18.5 6.6 8.2 69 72 A T E - F 0 78A 0 9,-3.0 9,-2.2 -2,-0.1 2,-0.5 -0.982 29.0-135.6-136.5 133.4 17.6 7.5 4.6 70 73 A W E - F 0 77A 17 17,-2.0 2,-1.9 -2,-0.4 7,-0.2 -0.815 25.0-136.5 -86.3 124.9 18.5 10.3 2.2 71 74 A N > - 0 0 32 5,-2.7 3,-1.9 -2,-0.5 5,-0.3 -0.341 39.6-131.9 -84.1 56.5 15.3 11.5 0.6 72 75 A A T 3 S+ 0 0 41 -2,-1.9 3,-0.1 1,-0.3 15,-0.0 -0.154 82.2 20.7 -45.7 137.5 16.7 11.7 -2.9 73 76 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.982 117.6 71.8 -88.0 3.2 16.5 13.9 -5.0 74 77 A L S < S- 0 0 114 -3,-1.9 49,-0.0 1,-0.1 0, 0.0 -0.017 83.6-119.2 -68.9 175.3 15.8 16.4 -2.1 75 78 A S S S+ 0 0 60 -3,-0.1 48,-2.6 -5,-0.1 -3,-0.1 0.496 79.7 104.2 -94.4 -4.8 18.3 17.5 0.5 76 79 A S B -G 122 0A 41 -5,-0.3 -5,-2.7 46,-0.2 2,-0.3 -0.320 54.3-153.5 -80.4 158.0 16.4 16.1 3.4 77 80 A V E +F 70 0A 6 44,-0.5 -45,-0.3 -7,-0.2 2,-0.3 -0.870 20.6 159.9-120.3 159.7 17.0 13.0 5.5 78 81 A S E -F 69 0A 6 -9,-2.2 -9,-3.0 -2,-0.3 2,-0.5 -0.901 43.0 -94.6-155.2 178.7 14.5 10.9 7.4 79 82 A V E +F 68 0A 3 -49,-2.6 2,-0.3 -2,-0.3 -11,-0.2 -0.967 50.8 170.9-104.1 132.7 14.0 7.4 8.9 80 83 A K E -F 67 0A 110 -13,-2.3 -13,-2.8 -2,-0.5 -50,-0.0 -0.933 40.7 -79.6-136.6 158.9 12.3 5.0 6.6 81 84 A T - 0 0 101 -2,-0.3 2,-0.7 -15,-0.2 -15,-0.1 -0.293 57.9-103.9 -49.0 136.0 11.3 1.4 6.2 82 85 A D + 0 0 60 -17,-0.3 -1,-0.1 1,-0.2 -14,-0.0 -0.622 54.1 155.9 -72.2 110.5 14.3 -0.6 4.9 83 86 A T - 0 0 107 -2,-0.7 -1,-0.2 2,-0.1 -2,-0.1 0.056 63.6-109.2-117.4 20.6 13.7 -1.3 1.2 84 87 A N + 0 0 99 1,-0.2 2,-0.1 4,-0.1 -2,-0.1 0.792 58.0 169.9 58.8 32.9 17.4 -1.8 0.5 85 88 A G > - 0 0 15 1,-0.1 3,-2.3 3,-0.0 -1,-0.2 -0.470 45.7-125.0 -74.6 144.4 17.7 1.5 -1.4 86 89 A D G > S+ 0 0 70 1,-0.3 3,-1.2 2,-0.2 21,-0.8 0.797 113.6 62.0 -56.4 -28.7 21.1 2.8 -2.4 87 90 A N G 3 S+ 0 0 34 1,-0.2 -17,-2.0 19,-0.2 -1,-0.3 0.505 94.9 63.4 -74.9 -5.5 20.1 6.0 -0.6 88 91 A Q G < S+ 0 0 3 -3,-2.3 -30,-0.4 -19,-0.2 2,-0.3 0.292 88.9 82.1-102.9 5.9 19.8 4.0 2.6 89 92 A Y < - 0 0 11 -3,-1.2 17,-2.5 -32,-0.1 18,-0.5 -0.880 58.5-168.8-112.6 148.7 23.5 3.0 2.8 90 93 A W E -DH 56 105A 0 -34,-2.3 -34,-3.3 -2,-0.3 2,-0.4 -0.999 20.9-132.5-139.3 133.5 26.2 5.2 4.2 91 94 A Y E - H 0 104A 7 13,-3.2 13,-2.3 -2,-0.4 2,-0.6 -0.710 19.5-155.7 -76.9 134.7 30.0 5.1 4.2 92 95 A L E + H 0 103A 0 -2,-0.4 2,-0.5 11,-0.2 288,-0.4 -0.962 17.6 179.3-114.2 109.6 31.4 5.8 7.6 93 96 A L E - H 0 102A 5 9,-2.1 9,-2.9 -2,-0.6 2,-0.4 -0.962 9.9-155.0-120.1 126.8 34.9 7.1 7.2 94 97 A Q E -IH 378 101A 11 284,-2.3 284,-2.6 -2,-0.5 2,-0.7 -0.789 21.3-136.3-113.5 142.4 36.9 8.0 10.2 95 98 A N > - 0 0 12 5,-3.0 4,-2.0 -2,-0.4 282,-0.1 -0.826 23.8-150.5 -83.6 116.9 39.8 10.3 11.2 96 99 A Y T 4 S+ 0 0 60 -2,-0.7 -1,-0.1 280,-0.5 195,-0.1 0.858 89.4 37.3 -60.8 -36.7 41.9 8.0 13.3 97 100 A I T 4 S+ 0 0 63 193,-0.2 -1,-0.2 1,-0.1 194,-0.0 0.929 124.3 35.2 -85.5 -49.6 43.4 10.9 15.5 98 101 A S T 4 S- 0 0 20 2,-0.1 -2,-0.2 240,-0.1 -1,-0.1 0.742 94.9-138.3 -75.0 -22.7 40.4 13.3 15.9 99 102 A R < + 0 0 65 -4,-2.0 37,-0.4 1,-0.3 -3,-0.1 0.372 52.3 146.7 73.4 -0.1 37.9 10.4 16.0 100 103 A N - 0 0 9 35,-0.1 -5,-3.0 -6,-0.1 2,-0.4 -0.409 34.8-152.4 -69.0 141.2 35.6 12.4 13.7 101 104 A V E -HJ 94 134A 0 33,-2.9 33,-2.3 -7,-0.2 2,-0.5 -0.940 6.9-147.7-118.0 134.4 33.5 10.5 11.3 102 105 A I E -H 93 0A 5 -9,-2.9 -9,-2.1 -2,-0.4 2,-0.8 -0.885 10.4-150.7 -96.5 133.0 32.1 11.6 7.9 103 106 A I E -H 92 0A 0 -2,-0.5 10,-3.0 29,-0.4 2,-0.4 -0.856 22.9-175.8-107.3 97.1 28.7 10.0 7.0 104 107 A R E -HK 91 112A 4 -13,-2.3 -13,-3.2 -2,-0.8 8,-0.2 -0.790 25.8-115.3-106.5 132.0 28.8 9.9 3.3 105 108 A N E -H 90 0A 0 6,-2.7 -15,-0.2 -2,-0.4 6,-0.2 -0.388 12.7-150.2 -69.7 139.2 25.8 8.7 1.2 106 109 A Y S S+ 0 0 41 -17,-2.5 -19,-0.2 -20,-0.4 -16,-0.1 0.871 95.6 50.8 -72.7 -41.5 26.3 5.5 -0.9 107 110 A M S S+ 0 0 86 -21,-0.8 -1,-0.1 -18,-0.5 -20,-0.1 0.938 131.0 17.1 -64.4 -47.1 23.9 6.5 -3.7 108 111 A N > - 0 0 51 -22,-0.1 3,-2.2 3,-0.1 -3,-0.4 -0.818 68.5-173.7-127.5 94.2 25.6 9.8 -4.2 109 112 A P T 3 S+ 0 0 15 0, 0.0 301,-0.1 0, 0.0 -3,-0.1 0.455 80.6 73.4 -67.9 -3.1 29.1 9.9 -2.5 110 113 A N T 3 S+ 0 0 63 15,-0.1 16,-0.7 -6,-0.1 2,-0.4 0.619 90.1 74.3 -74.9 -16.7 29.3 13.7 -3.3 111 114 A L E < - L 0 125A 27 -3,-2.2 -6,-2.7 -6,-0.2 2,-0.3 -0.853 61.8-178.1-107.9 132.1 26.8 14.2 -0.5 112 115 A V E -KL 104 124A 0 12,-2.9 12,-1.8 -2,-0.4 -8,-0.2 -0.878 36.5 -94.8-122.3 157.4 27.5 13.9 3.2 113 116 A L E - L 0 123A 2 -10,-3.0 2,-0.4 -2,-0.3 -10,-0.3 -0.490 45.3-169.8 -69.6 139.1 25.3 14.2 6.3 114 117 A Q E - L 0 122A 24 8,-3.1 8,-2.1 -2,-0.2 2,-0.4 -0.993 16.1-144.6-133.9 138.4 25.4 17.7 7.8 115 118 A Y E - L 0 121A 9 16,-2.5 6,-0.2 -2,-0.4 2,-0.2 -0.883 21.1-143.2-101.1 139.8 24.0 19.1 11.0 116 119 A N > - 0 0 35 4,-3.0 3,-2.0 -2,-0.4 -82,-0.1 -0.532 25.8-107.8 -99.2 162.4 22.7 22.6 11.1 117 120 A I T 3 S+ 0 0 171 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.854 120.8 55.5 -51.9 -38.3 22.8 25.4 13.6 118 121 A D T 3 S- 0 0 100 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.149 121.7-106.8 -87.0 17.6 19.1 24.8 14.4 119 122 A D S < S+ 0 0 38 -3,-2.0 -85,-3.2 1,-0.2 -2,-0.1 0.391 80.1 127.8 73.5 -0.5 19.8 21.1 15.2 120 123 A T - 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