==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 06-JUL-92 1BW3 . COMPND 2 MOLECULE: BARWIN, BASIC BARLEY SEED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR F.M.POULSEN . 125 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 52.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 0 0.0 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 . 8 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 2 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 E 0 0 172 0, 0.0 119,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -19.3 3.5 15.8 -2.0 2 2 A Q E -A 119 0A 94 117,-0.2 2,-0.4 115,-0.0 117,-0.2 -0.947 360.0-172.3-121.8 141.4 6.7 13.9 -2.8 3 3 A A E -A 118 0A 5 115,-2.5 115,-2.9 -2,-0.4 2,-0.2 -0.999 2.9-177.9-137.9 134.2 8.6 11.3 -0.7 4 4 A N E + 0 0 88 -2,-0.4 113,-0.2 113,-0.2 112,-0.1 -0.645 60.3 30.0-119.6 176.3 12.0 9.6 -1.1 5 5 A D E S+ 0 0 107 -2,-0.2 2,-0.5 1,-0.2 112,-0.2 0.835 73.4 154.5 39.3 51.8 14.1 7.0 0.8 6 6 A V E -A 116 0A 23 110,-2.2 110,-2.0 -3,-0.2 2,-0.9 -0.895 46.3-125.3-107.0 135.3 11.0 5.1 2.1 7 7 A R E -A 115 0A 194 -2,-0.5 2,-0.3 108,-0.2 108,-0.2 -0.679 34.0-172.6 -83.3 108.3 11.5 1.4 3.0 8 8 A A E +A 114 0A 9 106,-2.7 106,-3.2 -2,-0.9 2,-0.3 -0.676 9.5 173.9 -99.5 155.3 8.8 -0.5 1.0 9 9 A T E -A 113 0A 57 82,-0.3 2,-0.3 104,-0.3 104,-0.2 -0.842 23.9-124.5-145.7 176.6 8.0 -4.2 1.4 10 10 A Y - 0 0 43 102,-0.7 2,-0.3 -2,-0.3 82,-0.1 -0.953 21.5-178.2-130.2 151.7 5.2 -6.4 -0.2 11 11 A H - 0 0 115 81,-0.7 2,-0.4 -2,-0.3 83,-0.2 -0.945 8.5-158.1-150.0 129.5 2.6 -8.8 1.5 12 12 A Y + 0 0 135 -2,-0.3 81,-0.1 1,-0.1 -2,-0.0 -0.922 27.0 146.7-119.2 134.4 -0.1 -11.0 -0.0 13 13 A Y S S- 0 0 97 -2,-0.4 -1,-0.1 0, 0.0 0, 0.0 0.608 82.5 -9.2-117.7 -79.1 -3.3 -12.4 1.5 14 14 A R S S+ 0 0 169 4,-0.1 10,-0.1 6,-0.0 -2,-0.0 -0.734 81.4 158.1-130.8 82.3 -6.2 -12.7 -1.1 15 15 A P > > - 0 0 42 0, 0.0 3,-3.1 0, 0.0 5,-1.4 0.099 67.6 -32.2 -81.5-160.5 -5.1 -11.0 -4.4 16 16 A A G > 5S+ 0 0 51 3,-0.3 3,-2.6 1,-0.3 5,-0.1 0.626 121.9 83.3 -29.9 -26.7 -6.4 -11.5 -8.0 17 17 A Q G 3 5S+ 0 0 179 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.897 103.4 31.2 -49.2 -44.0 -7.0 -15.2 -7.0 18 18 A N G X 5S- 0 0 93 -3,-3.1 3,-2.3 6,-0.0 -1,-0.3 -0.325 134.4 -93.4-109.1 42.4 -10.3 -13.9 -5.5 19 19 A N T < 5 - 0 0 67 -3,-2.6 -3,-0.3 1,-0.3 3,-0.2 0.815 58.0 -95.5 44.9 34.9 -10.3 -11.3 -8.4 20 20 A W T 3 < - 0 0 13 -5,-1.4 -1,-0.3 1,-0.2 -4,-0.2 0.677 62.0-171.5 29.8 32.5 -8.6 -9.2 -5.6 21 21 A D X - 0 0 51 -3,-2.3 3,-2.2 -6,-0.2 7,-0.2 -0.257 24.4-152.1 -55.5 115.4 -12.0 -7.8 -4.9 22 22 A L T 3 S+ 0 0 2 1,-0.3 7,-1.8 -2,-0.2 10,-0.2 0.536 98.3 63.1 -64.6 -5.0 -11.7 -4.9 -2.4 23 23 A G T 3 S+ 0 0 42 5,-0.2 -1,-0.3 9,-0.2 4,-0.1 0.561 72.7 125.0 -92.7 -19.6 -15.2 -5.9 -1.4 24 24 A A S X> S- 0 0 7 -3,-2.2 3,-2.1 -6,-0.1 4,-1.1 -0.182 78.6-104.4 -50.2 130.9 -14.1 -9.4 -0.3 25 25 A P T 34 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.671 114.7 39.8 -35.7 -53.1 -15.3 -9.8 3.4 26 26 A A T 34 S+ 0 0 99 1,-0.1 -2,-0.1 2,-0.0 -3,-0.1 0.005 117.8 48.4 -89.9 29.4 -11.9 -9.3 5.3 27 27 A V T <4 + 0 0 29 -3,-2.1 -4,-0.1 -4,-0.1 -1,-0.1 0.620 59.9 166.1-123.5 -61.4 -10.6 -6.4 3.1 28 28 A S < - 0 0 92 -4,-1.1 2,-0.3 -7,-0.2 -5,-0.2 0.863 23.4-168.1 30.6 73.8 -13.3 -3.8 2.5 29 29 A A > - 0 0 5 -7,-1.8 3,-2.9 1,-0.1 4,-0.4 -0.601 30.2-105.3 -89.9 143.3 -11.2 -0.9 1.1 30 30 A Y T > S+ 0 0 131 1,-0.3 3,-0.6 -2,-0.3 54,-0.2 0.770 117.1 32.7 -27.4 -65.0 -12.2 2.8 0.6 31 31 A a T 3>>S+ 0 0 2 52,-1.3 4,-2.8 1,-0.2 5,-0.6 0.112 87.1 106.4 -90.7 29.1 -12.7 2.9 -3.1 32 32 A A H <>5S+ 0 0 10 -3,-2.9 4,-1.5 1,-0.2 5,-0.4 0.954 75.5 58.4 -66.6 -45.6 -13.9 -0.7 -3.3 33 33 A T H <45S+ 0 0 107 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.665 120.4 27.9 -54.5 -23.5 -17.4 0.6 -3.9 34 34 A W H 45S+ 0 0 147 -3,-0.5 -1,-0.2 -4,-0.1 -2,-0.2 0.662 130.3 31.0-115.2 -26.1 -16.2 2.4 -7.0 35 35 A D H ><5S+ 0 0 8 -4,-2.8 3,-2.5 2,-0.1 -3,-0.2 0.738 104.8 66.7-106.1 -31.6 -13.1 0.4 -8.4 36 36 A A T 3< - 0 0 87 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.298 35.6 -96.5 -55.9-170.7 -13.5 -4.9 -15.1 40 40 A L H > S+ 0 0 82 3,-0.1 4,-3.2 2,-0.1 5,-0.4 0.976 113.5 57.8 -80.2 -55.8 -10.3 -7.0 -14.9 41 41 A S H > S+ 0 0 83 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.877 110.8 41.0 -33.8 -76.8 -8.1 -5.4 -17.6 42 42 A W H > S+ 0 0 31 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.891 117.0 50.0 -40.1 -57.4 -8.2 -1.8 -16.2 43 43 A R H < S+ 0 0 10 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.902 118.2 36.9 -54.7 -47.3 -7.8 -3.1 -12.7 44 44 A S H < S+ 0 0 67 -4,-3.2 -1,-0.2 -3,-0.4 -2,-0.2 0.729 116.2 57.4 -78.0 -20.2 -4.8 -5.4 -13.6 45 45 A K H < S+ 0 0 121 -4,-2.9 2,-0.6 -5,-0.4 -2,-0.2 0.915 112.7 37.9 -71.4 -50.8 -3.5 -2.6 -16.0 46 46 A Y S < S- 0 0 37 -4,-3.0 -1,-0.2 -5,-0.2 34,-0.2 -0.937 91.3-132.4-108.4 111.2 -3.3 0.1 -13.4 47 47 A G - 0 0 7 32,-0.7 47,-0.1 -2,-0.6 -2,-0.1 0.103 14.1-152.1 -52.1 175.1 -2.1 -1.1 -10.0 48 48 A W + 0 0 0 45,-0.3 34,-0.2 32,-0.2 45,-0.1 -0.393 29.3 147.4-158.3 74.1 -4.0 -0.0 -6.8 49 49 A T E -d 82 0B 0 32,-0.9 34,-1.9 1,-0.2 35,-1.2 0.238 45.2 -69.1 -86.9-147.9 -2.1 0.2 -3.5 50 50 A A E -d 84 0B 5 32,-0.2 2,-0.9 33,-0.2 35,-0.2 -0.578 26.5-113.7-112.6 174.4 -2.8 2.6 -0.6 51 51 A F S S+ 0 0 46 33,-2.8 35,-0.2 -2,-0.2 2,-0.2 -0.870 75.7 99.9-103.9 94.0 -2.6 6.3 0.5 52 52 A b + 0 0 33 -2,-0.9 3,-0.1 33,-0.1 38,-0.0 -0.669 23.1 121.4-150.7-152.6 0.1 6.1 3.2 53 53 A G S > S- 0 0 32 -2,-0.2 3,-0.8 1,-0.1 37,-0.1 -0.197 79.4 -74.1 102.7 164.5 3.8 6.8 3.7 54 54 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 0.792 135.9 30.3 -61.7 -26.8 5.6 9.2 6.2 55 55 A A T 3 S+ 0 0 42 -3,-0.1 -2,-0.1 1,-0.1 -3,-0.1 -0.458 92.1 100.6-130.6 59.8 4.3 12.0 3.9 56 56 A G < + 0 0 8 -3,-0.8 2,-1.3 -5,-0.1 -1,-0.1 -0.219 28.6 165.4-141.3 56.1 1.0 11.0 2.2 57 57 A P + 0 0 128 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.564 35.1 125.7 -73.5 100.0 -2.2 12.4 3.7 58 58 A R + 0 0 78 -2,-1.3 0, 0.0 -7,-0.2 0, 0.0 -0.535 17.6 117.0-155.6 82.9 -4.6 11.6 0.8 59 59 A G S > S+ 0 0 21 -2,-0.1 3,-2.6 -9,-0.0 4,-0.3 0.672 76.5 33.6-113.3 -82.1 -7.8 9.6 1.6 60 60 A Q G > S+ 0 0 174 1,-0.3 3,-0.8 2,-0.2 -2,-0.0 0.888 128.8 40.2 -42.3 -51.8 -11.2 11.2 1.0 61 61 A A G 3 S+ 0 0 76 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.058 107.3 69.2 -90.0 26.3 -9.8 13.2 -2.0 62 62 A A G X + 0 0 2 -3,-2.6 3,-1.1 21,-0.1 -1,-0.2 0.305 60.5 101.2-124.4 5.5 -7.8 10.1 -3.2 63 63 A a T < S+ 0 0 36 -3,-0.8 -2,-0.1 -4,-0.3 -3,-0.1 0.421 98.3 29.3 -74.6 3.8 -10.6 7.7 -4.3 64 64 A G T 3 S+ 0 0 51 2,-0.0 2,-0.3 -3,-0.0 59,-0.3 0.003 102.2 98.0-152.4 35.6 -9.8 8.6 -8.0 65 65 A K < - 0 0 97 -3,-1.1 17,-2.3 17,-0.4 2,-0.3 -0.854 56.7-136.8-125.8 161.9 -6.1 9.5 -8.0 66 66 A c E -BC 81 121A 0 55,-2.1 55,-3.3 -2,-0.3 2,-0.4 -0.757 5.5-139.8-118.2 162.5 -2.9 7.7 -9.0 67 67 A L E -BC 80 120A 8 13,-3.4 13,-3.2 -2,-0.3 2,-0.4 -0.967 10.0-148.7-125.8 122.6 0.6 7.3 -7.4 68 68 A R E -BC 79 119A 92 51,-2.7 51,-2.8 -2,-0.4 2,-0.4 -0.772 16.5-167.0 -93.0 134.2 3.9 7.3 -9.5 69 69 A V E -BC 78 118A 2 9,-3.1 9,-2.9 -2,-0.4 2,-0.3 -0.957 3.3-167.6-123.1 138.9 6.7 5.2 -8.0 70 70 A T E -BC 77 117A 40 47,-2.8 47,-2.0 -2,-0.4 7,-0.3 -0.935 12.6-147.4-125.5 147.1 10.4 5.2 -9.1 71 71 A N E >>> -B 76 0A 3 5,-3.3 4,-3.1 -2,-0.3 3,-2.1 -0.790 3.1-165.8-118.8 90.7 13.3 2.7 -8.2 72 72 A P T 345S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 44,-0.1 0.829 85.0 71.0 -42.8 -46.5 16.8 4.4 -8.0 73 73 A A T 345S+ 0 0 75 42,-0.4 30,-0.1 1,-0.2 43,-0.0 0.791 124.5 4.3 -35.2 -49.6 18.4 0.9 -8.1 74 74 A T T <45S- 0 0 55 -3,-2.1 -1,-0.2 28,-0.2 3,-0.1 0.667 95.5-121.2-111.7 -32.5 17.5 0.4 -11.8 75 75 A G T <5 + 0 0 49 -4,-3.1 -2,-0.1 1,-0.3 27,-0.0 0.335 66.6 141.0 100.7 -1.1 16.0 3.8 -12.6 76 76 A A E < -B 71 0A 31 -5,-0.6 -5,-3.3 26,-0.3 -1,-0.3 -0.296 29.1-173.4 -71.0 156.0 12.8 2.0 -13.5 77 77 A Q E +B 70 0A 105 -7,-0.3 2,-0.3 -3,-0.1 -7,-0.2 -0.981 10.7 178.9-149.0 157.9 9.4 3.5 -12.6 78 78 A I E -B 69 0A 52 -9,-2.9 -9,-3.1 -2,-0.3 2,-0.4 -0.935 25.1-121.1-151.0 170.1 5.7 2.7 -12.7 79 79 A T E -B 68 0A 38 -2,-0.3 -32,-0.7 -11,-0.3 -11,-0.3 -0.970 27.3-177.4-125.9 121.7 2.3 4.2 -11.7 80 80 A A E -B 67 0A 0 -13,-3.2 -13,-3.4 -2,-0.4 2,-0.3 -0.578 26.7-106.5-108.6 172.9 -0.2 2.6 -9.2 81 81 A R E -B 66 0A 3 -15,-0.3 -32,-0.9 -2,-0.2 2,-0.5 -0.763 21.2-127.2-104.4 151.4 -3.7 3.6 -8.0 82 82 A I E +d 49 0B 0 -17,-2.3 -17,-0.4 -2,-0.3 -32,-0.2 -0.823 53.2 130.2 -90.1 124.7 -4.6 5.1 -4.6 83 83 A V E + 0 0 3 -34,-1.9 -52,-1.3 -2,-0.5 -33,-0.2 0.611 57.2 13.7-138.1 -50.0 -7.4 3.0 -2.9 84 84 A D E S-d 50 0B 17 -35,-1.2 -33,-2.8 -54,-0.2 -1,-0.3 -0.380 72.2 -90.3-118.5-165.3 -7.0 1.9 0.6 85 85 A Q - 0 0 111 -35,-0.2 2,-0.4 -2,-0.1 -1,-0.2 -0.180 44.0 -89.7-100.2-168.3 -4.9 2.4 3.8 86 86 A b + 0 0 44 -35,-0.2 5,-0.1 1,-0.1 -33,-0.0 -0.470 44.5 163.3-112.4 64.1 -1.6 0.7 5.2 87 87 A A S S+ 0 0 98 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.724 90.9 30.4 -49.2 -23.6 -2.8 -2.3 7.3 88 88 A N S S- 0 0 70 2,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.651 130.5 -88.4-107.2 -31.5 0.8 -3.6 7.0 89 89 A G S S- 0 0 58 1,-0.2 2,-0.3 -4,-0.0 -2,-0.1 0.616 89.7 -7.3 122.6 31.5 2.6 -0.2 6.8 90 90 A G S S+ 0 0 14 -5,-0.1 -2,-0.3 -82,-0.1 -1,-0.2 -0.826 106.5 2.8 144.1 175.4 2.7 0.7 3.1 91 91 A L + 0 0 27 -2,-0.3 -82,-0.3 -41,-0.1 -80,-0.1 0.083 57.9 158.4 -29.7 112.6 2.0 -0.5 -0.5 92 92 A D + 0 0 13 -82,-0.1 2,-1.5 1,-0.1 -81,-0.7 0.778 50.4 75.2-115.2 -39.6 0.5 -4.0 -0.2 93 93 A L S S+ 0 0 15 -45,-0.1 -45,-0.3 -83,-0.1 3,-0.2 0.072 81.6 93.4 -68.7 32.7 -1.6 -4.8 -3.5 94 94 A D + 0 0 10 -2,-1.5 2,-1.1 -83,-0.2 -2,-0.1 0.544 19.8 113.7 -90.1-123.1 1.6 -5.5 -5.4 95 95 A W S S+ 0 0 108 1,-0.2 -1,-0.1 -83,-0.0 -2,-0.1 -0.084 106.3 24.0 74.1 -35.6 3.5 -8.8 -5.9 96 96 A D S S+ 0 0 58 -2,-1.1 -1,-0.2 -3,-0.2 -2,-0.1 0.507 125.0 50.5-125.4 -21.9 2.7 -8.6 -9.7 97 97 A T S S- 0 0 11 -4,-0.2 -3,-0.1 3,-0.1 4,-0.1 0.980 121.0 -5.8 -82.2 -76.4 2.1 -4.8 -10.3 98 98 A V S >> S+ 0 0 6 3,-0.1 4,-2.5 2,-0.1 3,-2.0 0.919 128.1 42.2 -90.2 -78.3 5.0 -2.5 -8.9 99 99 A F H 3> S+ 0 0 9 1,-0.3 4,-1.3 2,-0.2 3,-0.5 0.894 114.3 52.0 -33.5 -71.6 7.7 -4.4 -6.9 100 100 A T H 34 S+ 0 0 56 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.621 115.3 41.2 -44.3 -25.7 7.9 -7.3 -9.3 101 101 A K H <4 S+ 0 0 129 -3,-2.0 -1,-0.3 1,-0.1 3,-0.2 0.778 113.8 48.0 -99.3 -34.6 8.4 -5.1 -12.3 102 102 A I H < S+ 0 0 3 -4,-2.5 2,-0.4 -3,-0.5 -26,-0.3 0.539 98.3 78.2 -83.2 -2.8 10.8 -2.5 -10.9 103 103 A D < + 0 0 15 -4,-1.3 -1,-0.2 -5,-0.3 6,-0.1 -0.468 53.4 164.3-101.4 54.0 12.9 -5.4 -9.5 104 104 A T S S+ 0 0 109 -2,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.781 80.7 35.0 -41.2 -38.6 14.8 -6.5 -12.7 105 105 A N S S- 0 0 102 -3,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.875 104.0-124.5 -89.2 -41.8 17.4 -8.5 -10.7 106 106 A G > + 0 0 24 3,-0.0 4,-2.4 4,-0.0 5,-0.4 0.322 65.6 135.4 110.6 -2.6 15.2 -9.7 -7.8 107 107 A I H > S+ 0 0 101 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.866 76.0 45.8 -42.4 -47.4 17.4 -8.2 -5.0 108 108 A G H >> S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 3,-0.8 0.995 110.1 51.3 -63.4 -64.4 14.2 -7.0 -3.2 109 109 A Y H 34 S+ 0 0 102 1,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.797 114.2 43.3 -42.7 -43.6 12.1 -10.2 -3.6 110 110 A Q H 3< S+ 0 0 183 -4,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.836 122.6 39.5 -77.1 -29.6 14.9 -12.4 -2.1 111 111 A Q H << S- 0 0 132 -4,-1.5 -2,-0.2 -3,-0.8 -3,-0.2 0.933 100.8-130.3 -84.5 -50.9 15.7 -9.9 0.7 112 112 A G S < S+ 0 0 24 -4,-3.2 -102,-0.7 1,-0.2 2,-0.3 -0.252 73.8 47.7 133.2 -49.7 12.1 -8.6 1.7 113 113 A H E -A 9 0A 80 -104,-0.2 2,-0.3 -5,-0.1 -104,-0.3 -0.813 59.9-164.1-121.7 163.2 12.2 -4.8 1.7 114 114 A L E -A 8 0A 25 -106,-3.2 -106,-2.7 -2,-0.3 2,-0.7 -0.950 24.8-117.7-143.9 162.4 13.5 -2.1 -0.7 115 115 A N E +A 7 0A 71 -2,-0.3 -42,-0.4 -108,-0.2 2,-0.2 -0.904 48.9 156.6-108.5 110.4 14.3 1.6 -0.8 116 116 A V E -A 6 0A 4 -110,-2.0 -110,-2.2 -2,-0.7 2,-0.3 -0.792 30.7-140.4-126.9 169.9 12.0 3.4 -3.3 117 117 A N E - 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