==== 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 3AH4 . 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 . 568 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 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 . 212 37.3 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 . 54 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.1 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 . 4 0.7 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 2 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 1 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 T 0 0 86 0, 0.0 3,-0.3 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0 153.7 39.6 3.4 23.9 2 5 A N > + 0 0 30 1,-0.1 3,-1.7 2,-0.1 187,-0.0 0.330 360.0 98.9 -98.1 6.8 38.7 1.2 20.9 3 6 A A T 3 S+ 0 0 2 1,-0.3 138,-0.2 3,-0.0 -1,-0.1 0.751 80.6 51.8 -66.0 -23.1 35.3 0.6 22.4 4 7 A N T 3 S+ 0 0 39 -3,-0.3 -1,-0.3 133,-0.1 132,-0.1 0.279 79.6 134.1 -95.2 10.0 33.8 3.3 20.1 5 8 A D S < S- 0 0 21 -3,-1.7 2,-2.7 1,-0.1 -3,-0.0 -0.211 73.1-101.6 -60.5 150.8 35.2 1.8 16.9 6 9 A L + 0 0 0 86,-0.1 377,-0.2 132,-0.0 -1,-0.1 -0.295 60.1 169.6 -79.8 58.7 32.8 1.5 14.0 7 10 A R > - 0 0 33 -2,-2.7 3,-1.2 1,-0.1 40,-0.3 -0.410 40.0-104.0 -71.4 143.2 32.1 -2.2 14.4 8 11 A N T 3 S+ 0 0 80 1,-0.2 40,-0.2 -2,-0.1 -1,-0.1 -0.358 103.8 17.7 -55.4 140.1 29.4 -4.1 12.6 9 12 A N T 3 S+ 0 0 51 38,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.672 93.7 125.2 70.1 18.2 26.4 -4.8 14.8 10 13 A E < - 0 0 17 -3,-1.2 37,-2.4 37,-0.2 2,-0.4 -0.780 55.6-130.1-102.8 160.0 27.2 -2.3 17.6 11 14 A V E -A 46 0A 2 -2,-0.3 128,-2.2 35,-0.2 129,-0.4 -0.908 31.0-176.6-116.3 134.9 24.7 0.4 18.7 12 15 A F E -AB 45 138A 0 33,-3.0 33,-2.1 -2,-0.4 2,-0.5 -0.898 35.2-129.3-133.4 152.9 25.7 4.0 19.0 13 16 A F E - B 0 137A 2 124,-2.7 124,-2.6 -2,-0.3 2,-0.6 -0.867 32.0-151.4 -85.9 135.4 24.9 7.6 19.9 14 17 A I E - B 0 136A 1 -2,-0.5 10,-2.7 29,-0.3 122,-0.2 -0.965 21.1-179.2-114.0 115.4 25.8 9.7 16.9 15 18 A S E - B 0 135A 0 120,-3.1 120,-2.6 -2,-0.6 8,-0.2 -0.834 33.5-104.9-115.4 151.7 26.7 13.3 18.0 16 19 A P E > - B 0 134A 2 0, 0.0 3,-1.6 0, 0.0 118,-0.2 -0.456 35.0-121.9 -65.1 147.0 27.8 16.5 16.2 17 20 A S T 3 S+ 0 0 27 116,-2.4 3,-0.2 113,-0.5 117,-0.1 0.801 111.4 56.0 -61.8 -27.0 31.5 17.0 16.6 18 21 A N T 3 S+ 0 0 106 115,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.416 114.7 33.6 -86.2 1.3 30.8 20.4 18.3 19 22 A N X - 0 0 50 -3,-1.6 3,-1.6 3,-0.1 -1,-0.2 -0.646 50.2-175.0-163.5 98.6 28.5 19.0 21.0 20 23 A T T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -3,-0.2 -3,-0.1 0.609 87.6 65.5 -71.2 -9.7 28.8 15.7 22.8 21 24 A N T 3 S+ 0 0 103 15,-0.0 16,-2.6 -5,-0.0 2,-0.4 0.411 91.5 72.1 -96.3 0.7 25.5 16.4 24.6 22 25 A K E < -W 36 0B 58 -3,-1.6 2,-0.3 14,-0.2 14,-0.2 -0.915 64.0-175.2-111.8 145.5 23.4 16.3 21.4 23 26 A V E -W 35 0B 0 12,-2.6 12,-2.4 -2,-0.4 2,-0.3 -0.954 37.7 -89.5-136.9 156.7 22.6 13.1 19.6 24 27 A L E -W 34 0B 3 -10,-2.7 2,-0.4 -2,-0.3 -10,-0.3 -0.510 53.6-170.7 -62.3 126.7 20.9 12.0 16.4 25 28 A D E -W 33 0B 7 8,-2.2 8,-2.0 -2,-0.3 2,-1.1 -0.990 29.4-141.4-133.4 125.0 17.2 11.5 17.5 26 29 A K E +W 32 0B 5 16,-2.9 6,-0.2 -2,-0.4 18,-0.1 -0.780 29.8 174.4 -79.8 100.5 14.3 9.9 15.6 27 30 A I + 0 0 91 4,-1.3 2,-0.2 -2,-1.1 -1,-0.2 0.745 59.0 8.3 -84.4 -25.1 11.7 12.4 16.9 28 31 A S S S- 0 0 42 3,-1.3 0, 0.0 -3,-0.1 0, 0.0 -0.680 96.7 -75.2-138.9-169.4 8.7 11.1 14.8 29 32 A Q S S+ 0 0 125 -2,-0.2 3,-0.0 1,-0.2 -3,-0.0 0.735 128.5 8.8 -68.2 -16.4 7.7 8.3 12.6 30 33 A S S S+ 0 0 49 48,-0.1 49,-2.1 50,-0.0 2,-0.3 0.514 109.4 88.5-134.3 -16.4 9.8 9.8 9.7 31 34 A E - 0 0 90 47,-0.2 -4,-1.3 -5,-0.0 -3,-1.3 -0.717 46.1-165.4-107.5 143.5 11.9 12.7 11.0 32 35 A V E +W 26 0B 16 45,-0.4 89,-0.4 -2,-0.3 2,-0.3 -0.893 14.7 162.8-117.4 154.1 15.4 13.0 12.6 33 36 A K E -W 25 0B 65 -8,-2.0 -8,-2.2 -2,-0.3 2,-0.4 -0.973 44.1 -99.0-160.1 152.5 16.9 15.9 14.4 34 37 A L E +W 24 0B 1 85,-3.0 2,-0.3 -2,-0.3 -10,-0.2 -0.689 54.6 175.4 -76.9 134.3 19.8 16.5 16.8 35 38 A W E -W 23 0B 112 -12,-2.4 -12,-2.6 -2,-0.4 3,-0.1 -0.969 39.2 -75.6-143.5 151.2 18.5 16.6 20.3 36 39 A N E -W 22 0B 96 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.179 64.3 -99.4 -36.0 127.5 19.5 16.8 24.0 37 40 A K + 0 0 45 -16,-2.6 -1,-0.1 1,-0.2 -15,-0.0 -0.444 59.2 152.5 -64.9 121.2 20.9 13.5 25.0 38 41 A L - 0 0 111 -2,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.528 49.3-129.9-121.6 -19.7 18.2 11.5 26.8 39 42 A S + 0 0 54 1,-0.2 2,-0.1 4,-0.1 -2,-0.1 0.632 52.6 150.1 69.8 17.6 19.3 7.9 26.1 40 43 A G > - 0 0 30 1,-0.1 3,-2.1 2,-0.0 -1,-0.2 -0.390 63.7-106.1 -67.1 160.4 15.9 6.8 24.9 41 44 A A G > S+ 0 0 34 1,-0.3 3,-1.4 2,-0.2 20,-1.0 0.723 118.7 68.4 -66.8 -21.7 15.9 4.0 22.3 42 45 A N G 3 S+ 0 0 51 1,-0.2 -16,-2.9 19,-0.2 -1,-0.3 0.496 98.3 52.9 -72.1 -5.0 15.0 6.5 19.6 43 46 A Q G < S+ 0 0 0 -3,-2.1 2,-0.4 -18,-0.2 -29,-0.3 0.177 95.3 88.5-108.0 11.9 18.5 8.1 20.1 44 47 A K < - 0 0 26 -3,-1.4 17,-2.0 -31,-0.1 2,-0.4 -0.927 56.8-167.8-120.9 137.2 20.3 4.7 19.6 45 48 A W E -AC 12 60A 0 -33,-2.1 -33,-3.0 -2,-0.4 2,-0.4 -0.987 11.3-148.0-133.9 126.7 21.4 3.4 16.2 46 49 A R E -AC 11 59A 0 13,-3.0 13,-2.7 -2,-0.4 2,-0.4 -0.785 17.3-137.0 -93.1 136.3 22.7 -0.1 15.2 47 50 A L E - C 0 58A 0 -37,-2.4 -38,-2.4 -2,-0.4 2,-0.5 -0.782 17.3-172.2 -90.9 131.1 25.3 -0.3 12.4 48 51 A I E - C 0 57A 63 9,-2.3 9,-2.8 -2,-0.4 2,-0.3 -0.944 15.4-149.1-125.0 108.3 24.7 -3.1 9.8 49 52 A Y E - C 0 56A 25 -2,-0.5 2,-0.7 7,-0.2 7,-0.2 -0.614 7.3-155.0 -88.0 134.3 27.6 -3.4 7.4 50 53 A D E >> - C 0 55A 40 5,-3.2 4,-1.7 -2,-0.3 5,-1.4 -0.923 5.4-165.5-106.3 108.9 27.2 -4.5 3.8 51 54 A T T 45S+ 0 0 107 -2,-0.7 -1,-0.2 1,-0.2 5,-0.0 0.888 86.1 56.7 -67.8 -39.3 30.6 -6.0 2.8 52 55 A N T 45S+ 0 0 138 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.897 118.8 32.2 -53.9 -44.7 29.7 -6.0 -0.9 53 56 A K T 45S- 0 0 41 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.641 97.0-135.9 -87.9 -18.2 29.1 -2.2 -0.8 54 57 A Q T <5S+ 0 0 39 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.832 73.8 105.4 56.4 37.1 31.7 -1.4 2.0 55 58 A A E < -C 50 0A 0 -5,-1.4 -5,-3.2 36,-0.1 2,-0.3 -0.900 62.2-127.6-143.0 164.0 28.9 0.7 3.4 56 59 A Y E -CD 49 90A 0 34,-3.1 34,-2.5 -2,-0.3 2,-0.3 -0.841 5.5-136.1-120.0 151.6 26.5 0.6 6.3 57 60 A K E -C 48 0A 22 -9,-2.8 -9,-2.3 -2,-0.3 2,-0.5 -0.780 21.2-147.0 -90.3 151.1 22.8 0.8 7.1 58 61 A I E -C 47 0A 0 30,-0.4 10,-2.5 -2,-0.3 2,-0.5 -0.941 19.4-168.1-124.9 101.3 22.1 2.9 10.3 59 62 A K E -CE 46 67A 17 -13,-2.7 -13,-3.0 -2,-0.5 8,-0.2 -0.818 19.2-126.6-104.7 126.0 19.0 1.5 12.0 60 63 A V E -C 45 0A 0 6,-2.5 5,-0.4 -2,-0.5 3,-0.3 -0.335 13.4-144.2 -64.6 148.7 17.1 3.2 14.8 61 64 A M S S+ 0 0 0 -17,-2.0 176,-0.8 -20,-1.0 -19,-0.2 0.089 72.0 101.9-105.8 22.8 16.7 1.0 17.9 62 65 A D S S- 0 0 34 -18,-0.2 -1,-0.2 -21,-0.1 -20,-0.1 0.327 102.5 -98.5 -89.6 9.0 13.1 2.1 19.0 63 66 A N S S+ 0 0 99 -3,-0.3 -2,-0.1 -22,-0.1 172,-0.0 0.143 106.1 98.1 93.6 -11.6 11.5 -1.1 17.6 64 67 A T S S- 0 0 45 2,-0.1 -3,-0.1 1,-0.1 171,-0.0 0.667 76.4-144.8 -78.5 -18.4 10.4 0.5 14.3 65 68 A S + 0 0 52 -5,-0.4 17,-0.3 1,-0.2 2,-0.1 0.612 41.8 156.2 64.3 16.5 13.4 -0.9 12.4 66 69 A L - 0 0 22 15,-0.1 -6,-2.5 -7,-0.1 2,-0.3 -0.400 29.6-144.7 -76.8 149.6 13.6 2.3 10.3 67 70 A I E -EF 59 80A 4 13,-2.5 13,-2.1 -8,-0.2 -8,-0.2 -0.890 24.5 -93.8-121.6 148.4 16.9 3.3 8.7 68 71 A L E - F 0 79A 1 -10,-2.5 2,-0.4 -2,-0.3 -10,-0.3 -0.372 51.6-172.1 -61.9 126.6 18.6 6.6 7.9 69 72 A T E - F 0 78A 0 9,-3.1 9,-2.5 -2,-0.1 2,-0.6 -0.979 27.5-137.1-134.7 130.0 17.7 7.6 4.4 70 73 A W E - F 0 77A 18 17,-2.0 2,-2.0 -2,-0.4 7,-0.2 -0.796 24.5-137.3 -81.6 121.7 18.7 10.3 2.0 71 74 A N > - 0 0 20 5,-2.5 3,-1.7 -2,-0.6 5,-0.3 -0.332 39.0-135.3 -80.6 58.4 15.6 11.7 0.3 72 75 A A T 3 S+ 0 0 41 -2,-2.0 3,-0.1 1,-0.3 15,-0.0 -0.198 80.2 23.5 -53.6 142.5 17.0 11.8 -3.2 73 76 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.992 119.4 66.2 -85.8 0.5 16.9 13.9 -5.3 74 77 A L S < S- 0 0 115 -3,-1.7 0, 0.0 1,-0.1 0, 0.0 0.012 84.5-119.9 -68.7 179.8 16.2 16.5 -2.5 75 78 A S S S+ 0 0 60 -3,-0.1 48,-2.7 -5,-0.1 -3,-0.1 0.365 77.8 105.7-104.5 4.4 18.8 17.4 0.2 76 79 A S - 0 0 45 -5,-0.3 -5,-2.5 46,-0.2 2,-0.3 -0.382 54.7-150.8 -81.0 160.5 16.6 16.2 3.1 77 80 A V E +F 70 0A 7 44,-0.5 -45,-0.4 -7,-0.2 2,-0.3 -0.900 20.5 161.0-124.5 158.6 17.1 13.1 5.2 78 81 A S E -F 69 0A 5 -9,-2.5 -9,-3.1 -2,-0.3 2,-0.5 -0.880 43.1 -96.5-152.4-179.9 14.6 10.9 7.1 79 82 A V E +F 68 0A 2 -49,-2.1 2,-0.3 -2,-0.3 -11,-0.2 -0.979 51.5 169.5-105.8 133.1 14.1 7.5 8.6 80 83 A K E -F 67 0A 91 -13,-2.1 -13,-2.5 -2,-0.5 -50,-0.0 -0.922 41.7 -77.1-136.5 161.6 12.3 5.2 6.2 81 84 A T - 0 0 100 -2,-0.3 2,-0.8 -15,-0.2 -15,-0.1 -0.309 57.9-103.6 -52.2 139.7 11.4 1.5 5.7 82 85 A D + 0 0 59 -17,-0.3 -1,-0.1 1,-0.2 -14,-0.0 -0.630 53.8 156.3 -73.5 109.4 14.3 -0.5 4.6 83 86 A T - 0 0 107 -2,-0.8 -1,-0.2 2,-0.1 -2,-0.1 0.098 63.5-109.8-114.8 17.4 13.8 -1.2 0.8 84 87 A N + 0 0 99 1,-0.2 2,-0.2 4,-0.1 -2,-0.1 0.814 58.4 169.3 57.8 34.5 17.6 -1.7 0.2 85 88 A G > - 0 0 15 1,-0.1 3,-2.3 2,-0.0 -1,-0.2 -0.493 45.9-124.7 -74.6 144.5 17.8 1.6 -1.7 86 89 A D G > S+ 0 0 69 1,-0.3 3,-1.3 2,-0.2 21,-0.8 0.809 113.4 63.4 -56.4 -29.2 21.3 2.8 -2.6 87 90 A N G 3 S+ 0 0 27 1,-0.2 -17,-2.0 19,-0.2 -1,-0.3 0.510 94.3 62.7 -73.1 -5.6 20.3 6.0 -0.8 88 91 A Q G < S+ 0 0 3 -3,-2.3 2,-0.4 -19,-0.2 -30,-0.4 0.290 88.8 83.0-102.7 4.4 19.9 4.0 2.4 89 92 A Y < - 0 0 11 -3,-1.3 17,-2.6 -32,-0.1 18,-0.4 -0.882 58.8-168.4-109.3 147.8 23.6 3.0 2.6 90 93 A W E -DG 56 105A 0 -34,-2.5 -34,-3.1 -2,-0.4 2,-0.4 -0.996 20.7-132.7-136.4 134.3 26.3 5.2 4.1 91 94 A Y E - G 0 104A 5 13,-3.6 13,-2.4 -2,-0.4 2,-0.6 -0.721 19.7-157.0 -77.7 135.8 30.1 5.1 4.1 92 95 A L E + G 0 103A 1 -2,-0.4 2,-0.5 11,-0.2 290,-0.4 -0.955 17.0 178.0-115.7 107.9 31.4 5.7 7.6 93 96 A L E - G 0 102A 4 9,-2.0 9,-2.4 -2,-0.6 2,-0.4 -0.961 11.9-152.0-119.5 124.8 35.0 6.9 7.3 94 97 A Q E -HG 380 101A 15 286,-2.6 286,-2.7 -2,-0.5 2,-0.7 -0.772 18.4-136.9-107.9 140.9 36.9 7.8 10.4 95 98 A N > - 0 0 3 5,-3.0 4,-2.0 -2,-0.4 284,-0.1 -0.823 24.4-149.6 -82.3 113.9 39.8 10.2 11.3 96 99 A Y T 4 S+ 0 0 62 -2,-0.7 -1,-0.2 282,-0.5 197,-0.1 0.862 88.5 36.5 -56.4 -40.6 41.9 8.0 13.5 97 100 A I T 4 S+ 0 0 62 195,-0.2 -1,-0.2 1,-0.1 196,-0.0 0.939 124.0 36.2 -83.6 -49.9 43.3 10.8 15.6 98 101 A S T 4 S- 0 0 20 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.741 94.9-138.3 -75.8 -22.7 40.4 13.3 16.0 99 102 A R < + 0 0 66 -4,-2.0 37,-0.4 1,-0.3 -3,-0.1 0.367 53.0 144.6 75.6 -1.2 37.9 10.4 16.1 100 103 A N - 0 0 8 35,-0.1 -5,-3.0 -6,-0.1 2,-0.4 -0.405 36.1-151.5 -68.6 144.2 35.6 12.4 13.8 101 104 A V E -GI 94 134A 0 33,-3.0 33,-2.1 -7,-0.2 2,-0.5 -0.949 7.1-147.1-120.9 132.9 33.5 10.4 11.3 102 105 A I E -G 93 0A 4 -9,-2.4 -9,-2.0 -2,-0.4 2,-0.8 -0.871 11.4-150.1 -93.6 134.6 32.2 11.6 7.9 103 106 A I E -G 92 0A 0 -2,-0.5 10,-3.1 29,-0.4 2,-0.4 -0.870 23.3-174.9-107.9 97.6 28.8 10.0 7.0 104 107 A R E -GJ 91 112A 2 -13,-2.4 -13,-3.6 -2,-0.8 8,-0.3 -0.809 25.2-115.7-107.2 128.6 28.9 9.8 3.2 105 108 A N E -G 90 0A 0 6,-2.2 -15,-0.2 -2,-0.4 6,-0.2 -0.348 12.6-149.3 -66.7 138.1 26.0 8.7 1.1 106 109 A Y S S+ 0 0 36 -17,-2.6 -19,-0.2 -20,-0.4 -16,-0.1 0.878 96.0 50.8 -70.6 -41.4 26.5 5.5 -1.0 107 110 A M S S+ 0 0 85 -21,-0.8 -1,-0.2 -18,-0.4 -20,-0.1 0.927 130.6 17.0 -66.4 -44.7 24.2 6.5 -3.9 108 111 A N > - 0 0 52 -22,-0.1 3,-2.5 3,-0.1 -3,-0.4 -0.776 67.0-174.8-130.3 90.8 26.0 9.8 -4.3 109 112 A P T 3 S+ 0 0 11 0, 0.0 303,-0.1 0, 0.0 304,-0.1 0.436 79.7 75.8 -68.2 0.9 29.4 9.9 -2.5 110 113 A N T 3 S+ 0 0 54 302,-0.1 16,-0.7 15,-0.1 2,-0.4 0.620 91.0 71.7 -73.5 -16.0 29.7 13.6 -3.4 111 114 A L E < - K 0 125A 24 -3,-2.5 -6,-2.2 -6,-0.2 2,-0.3 -0.850 61.2-179.2-110.7 137.2 27.2 14.1 -0.5 112 115 A V E -JK 104 124A 0 12,-2.8 12,-2.1 -2,-0.4 -8,-0.2 -0.914 37.7 -93.4-126.8 156.6 27.7 13.8 3.2 113 116 A L E - K 0 123A 1 -10,-3.1 2,-0.4 -2,-0.3 -10,-0.3 -0.449 45.0-170.0 -66.5 140.6 25.4 14.2 6.2 114 117 A Q E - K 0 122A 24 8,-2.8 8,-2.0 -2,-0.1 2,-0.4 -0.987 15.7-144.4-134.9 140.5 25.6 17.7 7.7 115 118 A Y E - K 0 121A 11 16,-2.3 6,-0.2 -2,-0.4 2,-0.2 -0.919 20.4-146.3-104.5 137.7 24.2 19.1 10.9 116 119 A N > - 0 0 37 4,-2.9 3,-2.0 -2,-0.4 -2,-0.0 -0.522 27.5-105.2 -99.1 166.0 22.9 22.7 10.9 117 120 A I T 3 S+ 0 0 165 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.840 121.0 57.0 -56.6 -35.3 22.9 25.4 13.5 118 121 A D T 3 S- 0 0 100 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.241 120.9-108.5 -82.7 12.0 19.1 24.8 14.1 119 122 A D S < S+ 0 0 36 -3,-2.0 -85,-3.0 1,-0.3 -2,-0.1 0.412 78.8 129.3 76.8 0.2 19.8 21.1 14.9 120 123 A T - 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