==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 16-OCT-98 1TLG . COMPND 2 MOLECULE: POLYANDROCARPA LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: POLYANDROCARPA MISAKIENSIS; . AUTHOR S.F.POGET,G.B.LEGGE,M.BYCROFT,R.L.WILLIAMS . 245 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 25.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.8 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 . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 2 4 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 0 0 0 1 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 2 A D 0 0 104 0, 0.0 121,-3.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.8 25.2 11.8 18.5 2 3 A Y E -A 121 0A 16 119,-0.3 130,-1.5 117,-0.0 2,-0.4 -0.962 360.0-129.4-148.2 163.7 26.4 15.2 17.5 3 4 A E E -AB 120 131A 12 117,-2.6 117,-1.6 -2,-0.3 2,-0.4 -0.896 36.3-162.8-101.7 132.3 28.8 18.1 17.8 4 5 A I E -AB 119 130A 1 126,-2.7 126,-2.8 -2,-0.4 2,-0.5 -0.997 6.5-165.2-125.9 127.2 26.7 21.3 18.2 5 6 A L E -AB 118 129A 2 113,-2.8 113,-2.4 -2,-0.4 2,-0.4 -0.954 2.4-170.8-112.6 124.5 28.1 24.8 17.6 6 7 A F E -AB 117 128A 3 122,-2.8 122,-2.9 -2,-0.5 2,-0.4 -0.948 8.3-169.0-109.4 134.7 26.3 27.9 18.7 7 8 A S E -AB 116 127A 1 109,-2.6 109,-1.6 -2,-0.4 120,-0.2 -0.993 23.9-158.2-130.6 130.4 27.6 31.3 17.6 8 9 A D E + 0 0 11 118,-1.9 2,-0.2 -2,-0.4 119,-0.1 0.567 67.4 105.7 -76.3 -11.9 26.7 34.7 18.8 9 10 A E E - 0 0 96 117,-0.2 107,-0.4 107,-0.1 2,-0.3 -0.532 69.2-135.5 -66.8 139.6 28.0 36.2 15.5 10 11 A T E + 0 0 73 -2,-0.2 2,-0.3 105,-0.1 105,-0.2 -0.764 33.3 155.1-105.6 145.1 25.0 37.3 13.3 11 12 A M E -A 114 0A 24 103,-2.1 103,-2.4 -2,-0.3 42,-0.1 -0.969 43.6 -93.7-152.8 164.5 24.7 36.6 9.6 12 13 A N > - 0 0 55 -2,-0.3 4,-2.5 101,-0.2 99,-0.2 -0.288 53.3 -94.3 -77.6 169.3 22.1 36.2 6.8 13 14 A Y H > S+ 0 0 19 97,-1.7 4,-1.9 99,-0.2 5,-0.1 0.880 124.1 49.8 -52.5 -45.2 21.0 32.7 6.0 14 15 A A H > S+ 0 0 63 96,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.910 111.1 47.8 -64.9 -44.2 23.5 32.2 3.2 15 16 A D H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 108.2 58.0 -64.1 -33.3 26.5 33.3 5.2 16 17 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.926 106.0 47.9 -59.9 -46.5 25.3 31.0 8.0 17 18 A G H X S+ 0 0 14 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.881 114.6 45.8 -61.8 -40.4 25.5 28.0 5.7 18 19 A T H X S+ 0 0 86 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.828 109.3 55.3 -68.5 -40.6 29.0 28.9 4.5 19 20 A Y H < S+ 0 0 19 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.919 113.4 41.5 -61.1 -41.7 30.1 29.6 8.0 20 21 A a H ><>S+ 0 0 0 -4,-2.1 5,-2.2 -5,-0.2 3,-2.0 0.957 114.4 50.4 -71.4 -51.2 29.1 26.1 9.1 21 22 A Q H ><5S+ 0 0 145 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.824 102.5 59.7 -57.0 -35.9 30.3 24.4 6.0 22 23 A S T 3<5S+ 0 0 91 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.495 105.4 52.5 -71.9 -3.4 33.8 26.0 6.2 23 24 A R T < 5S- 0 0 105 -3,-2.0 -1,-0.3 2,-0.3 -2,-0.2 0.260 123.0-105.3-112.6 5.8 34.0 24.3 9.6 24 25 A G T < 5S+ 0 0 52 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.608 91.3 102.4 76.7 14.6 33.2 20.9 8.4 25 26 A M < - 0 0 14 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.3 -0.695 63.5-129.4-119.2 177.3 29.7 21.2 9.9 26 27 A A E -C 119 0A 39 93,-2.8 93,-3.4 -2,-0.2 3,-0.1 -0.910 36.8 -86.4-128.0 156.0 26.2 21.9 8.5 27 28 A L E S-C 118 0A 5 -2,-0.3 91,-0.3 91,-0.2 42,-0.2 -0.320 71.9 -82.2 -56.9 136.7 23.5 24.4 9.5 28 29 A V S S+ 0 0 0 89,-2.9 27,-3.5 25,-0.2 41,-0.2 -0.129 81.1 124.2 -49.7 134.7 21.5 22.6 12.3 29 30 A S >> + 0 0 4 25,-0.2 3,-1.2 -3,-0.1 4,-0.7 0.243 64.2 40.8-153.8 -75.2 19.0 20.1 10.8 30 31 A S G >4 S+ 0 0 12 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.849 112.8 59.4 -59.8 -31.0 19.0 16.4 11.7 31 32 A A G >4 S+ 0 0 0 1,-0.3 3,-1.0 2,-0.2 7,-0.4 0.828 98.2 59.3 -67.2 -25.9 19.7 17.3 15.3 32 33 A M G <4 S+ 0 0 3 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.705 104.3 50.7 -71.0 -20.0 16.4 19.4 15.3 33 34 A R G << S+ 0 0 100 -3,-1.1 2,-0.7 -4,-0.7 -1,-0.2 0.419 91.1 93.5 -91.8 -6.2 14.6 16.2 14.4 34 35 A D S <> S- 0 0 52 -3,-1.0 4,-3.4 -4,-0.4 5,-0.3 -0.848 72.4-143.6 -94.8 116.6 16.2 14.3 17.3 35 36 A S H > S+ 0 0 96 -2,-0.7 4,-1.1 1,-0.2 -1,-0.1 0.799 96.0 38.5 -48.4 -48.3 14.1 14.4 20.5 36 37 A T H > S+ 0 0 74 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.955 118.7 47.6 -71.3 -53.1 16.9 14.6 23.0 37 38 A M H > S+ 0 0 4 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.883 108.2 53.5 -55.2 -45.8 19.1 16.9 21.0 38 39 A V H X S+ 0 0 11 -4,-3.4 4,-2.8 -7,-0.4 -1,-0.2 0.881 108.2 50.3 -60.5 -39.9 16.4 19.4 20.0 39 40 A K H X S+ 0 0 115 -4,-1.1 4,-1.5 -5,-0.3 -1,-0.2 0.889 112.0 47.6 -67.6 -34.0 15.3 19.9 23.6 40 41 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.922 112.6 49.7 -67.6 -44.8 19.0 20.6 24.6 41 42 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.907 112.4 47.1 -60.0 -43.3 19.4 23.0 21.7 42 43 A L H X S+ 0 0 9 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.748 104.2 60.5 -72.2 -27.4 16.2 24.8 22.6 43 44 A A H X S+ 0 0 19 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.919 108.9 45.5 -62.0 -41.8 17.2 25.1 26.3 44 45 A F H X S+ 0 0 3 -4,-1.6 4,-2.0 2,-0.2 3,-0.4 0.962 114.4 44.9 -64.9 -56.3 20.3 27.0 25.2 45 46 A T H X>S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 5,-0.6 0.847 108.1 60.3 -62.8 -30.7 18.5 29.4 22.8 46 47 A E H <5S+ 0 0 114 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.905 106.6 45.6 -60.8 -44.8 15.8 29.9 25.4 47 48 A V H <5S+ 0 0 26 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.941 113.3 49.5 -63.2 -46.7 18.3 31.3 27.8 48 49 A K H <5S- 0 0 29 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.785 91.3-154.5 -63.3 -28.2 19.9 33.5 25.1 49 50 A G T <5 + 0 0 41 -4,-1.9 2,-0.3 1,-0.2 -3,-0.1 0.762 50.1 119.7 56.9 30.0 16.5 34.8 24.1 50 51 A H < - 0 0 89 -5,-0.6 2,-0.2 49,-0.1 -1,-0.2 -0.809 68.7 -97.3-122.0 164.6 17.7 35.6 20.6 51 52 A D - 0 0 39 -2,-0.3 64,-1.8 48,-0.1 2,-0.3 -0.568 40.1-176.2 -77.7 143.4 16.8 34.5 17.0 52 53 A Y E -Lm 98 115B 0 46,-1.7 46,-3.4 -2,-0.2 64,-0.2 -0.990 22.8-119.0-139.5 146.5 18.9 31.8 15.4 53 54 A W E -L 97 0B 0 62,-3.1 64,-0.4 -2,-0.3 2,-0.3 -0.464 23.7-165.9 -78.5 160.4 19.0 30.2 12.0 54 55 A V E - 0 0 0 42,-2.0 2,-1.5 2,-0.2 42,-0.4 -0.878 36.7 -98.0-137.1 159.9 18.3 26.5 11.4 55 56 A G E S+ 0 0 0 -27,-3.5 14,-2.7 -2,-0.3 2,-0.3 -0.376 83.9 103.3 -82.0 56.0 19.0 24.6 8.2 56 57 A A E + N 0 68B 0 -2,-1.5 40,-2.5 40,-0.3 2,-0.3 -0.981 34.9 144.7-137.3 145.8 15.6 24.6 6.6 57 58 A D E -LN 95 67B 23 10,-1.9 10,-3.0 -2,-0.3 38,-0.2 -0.951 49.4-122.7-163.7 173.8 14.2 26.6 3.7 58 59 A N S > S+ 0 0 3 36,-2.0 4,-2.9 -2,-0.3 7,-0.1 0.069 72.4 115.7-115.9 22.3 11.9 26.5 0.7 59 60 A L T 4 S+ 0 0 86 35,-0.2 -1,-0.1 2,-0.2 7,-0.1 0.795 77.0 44.6 -61.7 -32.2 14.5 27.4 -1.9 60 61 A Q T 4 S+ 0 0 145 5,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.943 133.1 13.0 -78.4 -50.0 14.3 24.1 -3.7 61 62 A D T 4 S- 0 0 82 4,-0.4 -2,-0.2 -4,-0.2 3,-0.1 0.482 96.1-143.8-109.9 -3.6 10.6 23.6 -3.9 62 63 A G >< + 0 0 26 -4,-2.9 3,-1.7 1,-0.2 29,-0.1 0.230 58.9 44.1 67.8 173.6 9.0 26.9 -3.0 63 64 A A T 3 S- 0 0 28 27,-0.7 -1,-0.2 29,-0.3 31,-0.2 -0.228 127.1 -24.1 53.7-135.7 5.9 27.9 -1.1 64 65 A Y T 3 S+ 0 0 44 1,-0.1 2,-0.9 -3,-0.1 -1,-0.3 -0.133 100.8 117.0 -99.9 42.7 5.4 25.8 2.1 65 66 A N < - 0 0 88 -3,-1.7 -4,-0.4 -7,-0.1 2,-0.2 -0.578 50.9-173.9-101.4 64.7 7.5 22.9 0.8 66 67 A F - 0 0 2 -2,-0.9 8,-3.1 8,-0.4 2,-0.4 -0.425 4.6-171.4 -66.9 129.1 10.1 23.3 3.6 67 68 A L E -NO 57 73B 27 -10,-3.0 -10,-1.9 6,-0.3 6,-0.2 -0.972 21.3-129.5-122.3 140.3 13.2 21.1 3.4 68 69 A W E > -N 56 0B 5 4,-3.5 3,-2.0 -2,-0.4 -12,-0.3 -0.445 40.2-103.2 -74.3 153.4 16.0 20.6 5.9 69 70 A N T 3 S+ 0 0 73 -14,-2.7 -1,-0.1 1,-0.3 -13,-0.1 0.559 120.3 60.4 -56.9 -14.7 19.5 21.0 4.3 70 71 A D T 3 S- 0 0 75 -15,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.195 122.6 -98.8-100.9 17.2 19.8 17.2 4.2 71 72 A G S < S+ 0 0 56 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.214 82.0 129.1 92.3 -16.7 16.8 16.5 2.0 72 73 A V - 0 0 58 1,-0.1 -4,-3.5 -5,-0.1 -1,-0.3 -0.496 61.4-111.6 -77.0 140.7 14.3 15.6 4.7 73 74 A S B -O 67 0B 68 -6,-0.2 -6,-0.3 -2,-0.2 -1,-0.1 -0.461 12.6-144.7 -74.9 139.4 11.0 17.4 4.8 74 75 A L - 0 0 2 -8,-3.1 -8,-0.4 -2,-0.2 -1,-0.1 -0.887 32.6-126.5-102.5 101.0 10.1 19.9 7.5 75 76 A P > - 0 0 55 0, 0.0 3,-3.4 0, 0.0 5,-0.2 -0.230 2.2-135.1 -54.8 124.5 6.3 19.2 7.8 76 77 A T T 3 S+ 0 0 65 1,-0.3 9,-0.1 -12,-0.2 -11,-0.0 0.773 110.1 45.4 -50.9 -24.0 4.2 22.3 7.4 77 78 A D T 3 S+ 0 0 135 3,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.078 82.5 142.1-109.6 24.5 2.4 21.0 10.5 78 79 A S X - 0 0 26 -3,-3.4 3,-1.5 1,-0.1 -4,-0.0 -0.324 60.1-126.8 -63.7 147.8 5.4 20.0 12.6 79 80 A D T 3 S+ 0 0 160 1,-0.3 -1,-0.1 25,-0.0 -2,-0.0 0.574 104.9 76.9 -68.0 -8.5 5.1 20.6 16.4 80 81 A L T 3 S+ 0 0 33 -5,-0.2 25,-2.8 24,-0.1 -1,-0.3 0.722 74.5 98.6 -73.0 -21.9 8.4 22.5 15.9 81 82 A W B < S-p 105 0B 17 -3,-1.5 25,-0.2 23,-0.2 3,-0.1 -0.421 79.2-116.5 -73.3 139.7 6.6 25.5 14.4 82 83 A S > - 0 0 2 23,-3.4 3,-1.3 -2,-0.2 -1,-0.1 -0.241 56.1 -70.3 -61.3 161.6 5.8 28.5 16.5 83 84 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 21,-0.0 -0.316 120.5 8.3 -57.2 133.4 2.0 29.2 16.9 84 85 A N T 3 S+ 0 0 149 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.795 104.2 157.4 63.3 33.8 0.5 30.4 13.6 85 86 A E < + 0 0 35 -3,-1.3 -1,-0.2 1,-0.1 2,-0.1 -0.955 39.0 50.6-137.5 153.4 3.6 29.8 11.5 86 87 A P S S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.524 72.9 134.5 -72.7 150.0 4.5 29.3 8.8 87 88 A S + 0 0 63 20,-0.2 3,-0.1 -2,-0.1 -2,-0.1 0.415 23.6 117.4-143.9 -3.3 2.6 32.3 7.6 88 89 A N S S- 0 0 32 1,-0.2 20,-0.1 19,-0.1 6,-0.1 -0.279 83.1 -71.7 -70.2 161.3 4.7 34.5 5.3 89 90 A P > - 0 0 63 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.238 40.2-136.6 -55.6 124.2 3.7 34.9 1.7 90 91 A Q T 3 S+ 0 0 115 1,-0.3 -27,-0.7 -3,-0.1 4,-0.1 0.472 98.8 68.3 -62.9 -1.6 4.2 31.7 -0.2 91 92 A S T 3 S+ 0 0 116 -29,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.650 86.6 90.1 -92.3 -16.6 5.7 33.6 -3.1 92 93 A W S < S- 0 0 124 -3,-1.9 2,-0.7 1,-0.1 -29,-0.3 -0.302 89.8-107.1 -76.6 159.4 8.8 34.6 -1.1 93 94 A Q - 0 0 143 -31,-0.1 2,-0.5 -2,-0.1 17,-0.4 -0.800 49.7-160.5 -78.3 115.0 12.0 32.7 -0.7 94 95 A L - 0 0 0 -2,-0.7 -36,-2.0 -31,-0.2 2,-0.3 -0.940 16.4-175.5-116.5 130.6 11.5 31.5 2.9 95 96 A b E -LQ 57 108B 0 13,-2.6 13,-2.6 -2,-0.5 2,-0.4 -0.762 23.8-117.7-114.4 157.3 14.2 30.4 5.4 96 97 A V E + Q 0 107B 0 -40,-2.5 -42,-2.0 -42,-0.4 -40,-0.3 -0.787 31.7 168.7-108.7 141.1 13.7 29.0 8.8 97 98 A Q E -LQ 53 106B 3 9,-2.3 9,-1.9 -2,-0.4 2,-0.8 -0.917 42.6-108.3-134.5 168.6 14.8 30.3 12.2 98 99 A I E -LQ 52 105B 0 -46,-3.4 -46,-1.7 -2,-0.3 2,-0.5 -0.892 44.0-145.7 -95.8 109.3 14.3 29.7 15.9 99 100 A W E >>> - Q 0 104B 61 5,-2.8 4,-3.4 -2,-0.8 3,-1.6 -0.737 9.4-145.3 -87.1 121.4 12.2 32.8 16.8 100 101 A S T 345S+ 0 0 52 -2,-0.5 -1,-0.1 1,-0.3 -50,-0.0 0.735 93.6 75.4 -55.6 -25.1 12.9 34.3 20.2 101 102 A K T 345S- 0 0 131 1,-0.2 -1,-0.3 3,-0.1 -50,-0.0 0.904 126.4 -1.4 -56.1 -41.4 9.2 35.2 20.4 102 103 A Y T <45S- 0 0 90 -3,-1.6 -2,-0.2 2,-0.3 -1,-0.2 0.459 90.2-121.9-125.1 -8.0 8.3 31.6 21.1 103 104 A N T <5S+ 0 0 26 -4,-3.4 2,-0.3 1,-0.3 -3,-0.2 0.884 82.0 109.9 59.8 38.4 11.7 29.8 20.9 104 105 A L E - 0 0 52 -2,-0.3 4,-2.0 101,-0.2 99,-0.2 -0.127 51.5 -95.0 -71.1 177.8 40.2 12.3 28.9 137 14 B Y H > S+ 0 0 22 97,-2.0 4,-2.0 2,-0.2 5,-0.1 0.904 122.5 50.0 -65.2 -41.4 41.1 15.8 30.1 138 15 B A H > S+ 0 0 65 96,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.922 113.6 44.9 -63.7 -47.7 44.3 16.1 28.1 139 16 B D H > S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.849 108.3 58.6 -67.1 -33.9 42.7 15.0 24.9 140 17 B A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.947 106.7 48.4 -59.1 -47.4 39.7 17.3 25.5 141 18 B G H X S+ 0 0 19 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.952 113.1 45.5 -58.2 -49.8 42.1 20.3 25.6 142 19 B T H X S+ 0 0 90 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.878 108.8 59.0 -65.9 -31.8 43.9 19.3 22.4 143 20 B Y H X S+ 0 0 22 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.934 110.2 40.6 -58.7 -50.9 40.5 18.6 20.8 144 21 B c H ><>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 3,-1.2 0.935 114.7 53.6 -63.2 -46.6 39.4 22.2 21.4 145 22 B Q H ><5S+ 0 0 125 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.836 101.5 57.0 -55.8 -40.8 42.8 23.6 20.4 146 23 B S H 3<5S+ 0 0 91 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.727 107.0 52.4 -67.0 -18.9 42.9 21.8 17.1 147 24 B R T <<5S- 0 0 107 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.291 122.6-104.0 -98.0 8.0 39.6 23.6 16.3 148 25 B G T < 5S+ 0 0 40 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.685 91.5 99.4 76.3 20.1 40.9 27.1 17.1 149 26 B M < - 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