==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 26-MAY-11 3S7A . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CODY,J.PACE,J.NOWAK . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 13.4 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 16.7 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+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 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 2 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 PARALLEL BRIDGES PER LADDER . 2 1 2 0 0 0 0 1 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 0 0 0 0 0 1 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 V 0 0 81 0, 0.0 109,-0.2 0, 0.0 110,-0.2 0.000 360.0 360.0 360.0 124.9 4.3 -0.3 -3.0 2 2 A G - 0 0 35 108,-2.2 109,-0.1 107,-0.3 108,-0.0 0.332 360.0 -22.4 -82.2-151.7 5.0 3.4 -3.0 3 3 A S - 0 0 53 1,-0.1 109,-2.8 108,-0.1 2,-0.5 -0.216 53.1-129.6 -66.3 144.6 7.8 5.8 -3.5 4 4 A L E +a 112 0A 18 126,-0.2 128,-1.4 107,-0.2 2,-0.3 -0.787 35.7 169.4 -94.0 134.0 11.4 5.0 -3.1 5 5 A N E -ab 113 132A 0 107,-2.3 109,-2.9 -2,-0.5 2,-0.3 -0.950 26.8-150.2-141.4 147.0 13.5 7.3 -0.8 6 6 A C E -ab 114 133A 1 126,-2.5 128,-2.1 -2,-0.3 2,-0.4 -0.899 13.2-166.3-104.7 153.1 16.9 7.6 0.9 7 7 A I E + b 0 134A 4 107,-2.1 2,-0.3 -2,-0.3 128,-0.2 -0.982 17.5 158.2-136.1 134.6 17.3 9.5 4.1 8 8 A V E - b 0 135A 8 126,-2.4 128,-2.7 -2,-0.4 2,-0.5 -0.987 35.0-145.6-150.8 149.5 20.7 10.4 5.5 9 9 A A E + b 0 136A 16 -2,-0.3 2,-0.3 126,-0.2 128,-0.2 -0.991 33.8 179.3-113.8 132.7 22.4 12.9 7.8 10 10 A V E - b 0 137A 13 126,-2.6 128,-2.7 -2,-0.5 6,-0.2 -0.988 23.8-127.0-141.9 135.1 25.9 13.7 6.4 11 11 A S E > - b 0 138A 5 4,-2.1 3,-2.2 -2,-0.3 130,-0.2 -0.398 39.1 -99.5 -79.2 169.0 28.8 16.0 7.5 12 12 A Q T 3 S+ 0 0 119 128,-1.5 129,-0.2 126,-0.6 -1,-0.1 0.804 126.6 58.2 -57.4 -30.5 30.3 18.7 5.3 13 13 A N T 3 S- 0 0 47 127,-0.4 -1,-0.3 129,-0.1 131,-0.1 0.126 123.0-107.6 -88.3 20.0 33.1 16.2 4.6 14 14 A M < + 0 0 85 -3,-2.2 134,-2.3 1,-0.2 2,-0.2 0.599 69.1 152.8 71.6 15.6 30.5 13.7 3.3 15 15 A G E +I 147 0B 0 132,-0.2 -4,-2.1 127,-0.1 132,-0.3 -0.523 22.0 166.1 -85.7 146.0 30.9 11.5 6.5 16 16 A I E + 0 0 21 130,-3.0 2,-0.3 1,-0.4 131,-0.2 0.519 62.1 13.3-128.6 -8.1 28.1 9.2 7.8 17 17 A G E -I 146 0B 9 129,-1.2 128,-2.7 5,-0.2 129,-1.2 -0.994 45.1-165.6-161.6 154.6 29.7 6.8 10.4 18 18 A K B > S-J 21 0C 70 3,-2.7 3,-1.7 -2,-0.3 126,-0.0 -0.905 79.3 -23.1-148.1 124.0 32.8 6.2 12.4 19 19 A N T 3 S- 0 0 130 -2,-0.3 3,-0.1 1,-0.3 125,-0.0 0.830 126.7 -48.2 44.9 41.9 33.4 2.8 14.2 20 20 A G T 3 S+ 0 0 25 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.673 124.5 90.6 77.8 13.6 29.8 1.9 14.2 21 21 A D B < S-J 18 0C 116 -3,-1.7 -3,-2.7 39,-0.0 -1,-0.3 -0.840 84.9 -87.4-128.9 168.2 28.7 5.2 15.6 22 22 A L - 0 0 68 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.546 33.1-129.8 -69.1 150.1 27.6 8.5 14.3 23 23 A P S S+ 0 0 11 0, 0.0 120,-0.2 0, 0.0 -1,-0.1 0.742 88.1 46.8 -68.8 -24.3 30.4 11.0 13.7 24 24 A W S S- 0 0 11 1,-0.1 3,-0.1 118,-0.1 -2,-0.1 -0.679 97.7 -86.9-117.3 161.3 28.7 13.8 15.7 25 25 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.303 67.4 -71.5 -58.9 153.8 27.1 14.0 19.1 26 26 A P - 0 0 49 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.165 41.3-161.3 -49.5 128.6 23.3 13.1 19.2 27 27 A L >> - 0 0 0 1,-0.2 4,-2.5 -3,-0.1 3,-0.5 -0.881 7.2-168.2-114.1 97.1 21.1 15.8 17.6 28 28 A R H 3> S+ 0 0 123 -2,-0.6 4,-2.3 1,-0.3 -1,-0.2 0.855 83.3 48.7 -59.0 -43.0 17.8 14.9 19.2 29 29 A N H 3> S+ 0 0 80 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.830 111.4 52.3 -67.8 -29.9 15.6 17.1 17.0 30 30 A E H <> S+ 0 0 12 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.931 109.2 49.4 -71.1 -45.0 17.4 15.6 13.9 31 31 A F H X S+ 0 0 76 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.895 108.5 53.5 -57.9 -37.5 16.7 12.1 15.2 32 32 A R H X S+ 0 0 135 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.884 106.9 52.4 -63.2 -35.3 13.0 13.2 15.7 33 33 A Y H X S+ 0 0 5 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.938 109.2 48.7 -66.6 -47.9 13.0 14.3 12.0 34 34 A F H X S+ 0 0 50 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.932 113.0 48.4 -55.2 -50.5 14.3 10.9 10.9 35 35 A Q H X S+ 0 0 95 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.930 114.7 43.6 -57.4 -47.5 11.7 9.1 13.0 36 36 A R H X S+ 0 0 109 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.917 115.1 48.8 -70.2 -42.4 8.8 11.3 11.7 37 37 A M H < S+ 0 0 21 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.940 117.3 40.1 -62.9 -48.3 9.8 11.1 8.0 38 38 A T H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.754 119.6 45.1 -72.2 -27.7 10.4 7.3 7.9 39 39 A T H < S+ 0 0 45 -4,-1.7 2,-0.5 -5,-0.3 9,-0.4 0.830 87.8 98.7 -83.4 -33.1 7.3 6.4 10.0 40 40 A T < + 0 0 89 -4,-1.9 2,-0.4 -5,-0.2 71,-0.1 -0.407 40.9 160.8 -76.6 112.1 4.7 8.7 8.4 41 41 A S - 0 0 33 -2,-0.5 5,-0.1 5,-0.1 7,-0.1 -1.000 25.0-166.0-120.5 135.4 2.5 6.9 5.9 42 42 A S + 0 0 118 -2,-0.4 2,-0.9 2,-0.1 -1,-0.1 0.364 64.7 101.1 -98.3 1.7 -0.9 8.4 4.8 43 43 A V S > S- 0 0 59 3,-0.0 3,-1.3 2,-0.0 67,-0.1 -0.811 79.4-128.9 -83.5 112.6 -2.0 5.2 3.2 44 44 A E T 3 S+ 0 0 195 -2,-0.9 3,-0.1 1,-0.2 -2,-0.1 -0.316 86.8 20.2 -59.7 136.3 -4.3 3.7 5.8 45 45 A G T 3 S+ 0 0 80 1,-0.3 2,-0.3 -2,-0.0 -1,-0.2 0.565 109.3 88.0 79.3 8.2 -3.6 0.1 6.8 46 46 A K < - 0 0 70 -3,-1.3 2,-0.3 -5,-0.1 -1,-0.3 -0.846 57.9-150.7-128.7 172.4 0.0 0.1 5.5 47 47 A Q E -c 109 0A 88 61,-2.1 63,-2.8 -2,-0.3 23,-0.2 -0.919 27.8-100.7-137.0 157.2 3.4 1.0 7.0 48 48 A N E - 0 0 0 21,-0.5 23,-2.9 -9,-0.4 2,-0.5 -0.491 32.5-126.8 -73.1 155.1 6.6 2.2 5.5 49 49 A L E -cd 112 71A 0 62,-2.7 64,-3.5 21,-0.2 2,-0.5 -0.936 17.7-158.7-103.6 121.4 9.4 -0.2 4.8 50 50 A V E -cd 113 72A 0 21,-2.7 23,-2.7 -2,-0.5 2,-0.5 -0.920 8.0-164.5-103.0 128.9 12.9 0.7 6.2 51 51 A I E +cd 114 73A 0 62,-2.7 64,-3.1 -2,-0.5 65,-0.6 -0.943 14.5 165.6-116.2 126.9 15.8 -1.0 4.5 52 52 A M E -cd 116 74A 0 21,-2.0 23,-2.4 -2,-0.5 65,-0.3 -0.996 34.6-109.2-141.7 154.8 19.2 -1.1 6.0 53 53 A G E > - d 0 75A 8 63,-2.4 4,-2.4 -2,-0.3 23,-0.2 -0.237 42.3-101.2 -71.3 160.6 22.6 -2.9 5.7 54 54 A K H > S+ 0 0 66 21,-1.2 4,-2.2 1,-0.2 5,-0.2 0.873 121.2 47.1 -47.9 -48.2 23.8 -5.5 8.3 55 55 A K H > S+ 0 0 131 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.863 110.4 50.9 -71.2 -39.3 26.2 -3.1 10.0 56 56 A T H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.934 108.9 53.5 -62.5 -42.8 23.7 -0.3 10.2 57 57 A W H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.950 113.7 40.9 -55.3 -52.7 21.1 -2.7 11.8 58 58 A F H < S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.795 114.7 53.7 -68.2 -26.2 23.6 -3.8 14.5 59 59 A S H < S+ 0 0 48 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.799 83.2 96.2 -77.0 -37.7 24.9 -0.1 15.0 60 60 A I S < S- 0 0 34 -4,-2.4 5,-0.1 -5,-0.1 4,-0.1 -0.328 100.5 -85.1 -55.4 137.4 21.5 1.5 15.6 61 61 A P > - 0 0 74 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.203 39.7-135.0 -52.7 131.3 20.9 1.8 19.4 62 62 A E G > S+ 0 0 136 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.811 99.6 63.3 -69.4 -28.8 19.4 -1.6 20.4 63 63 A K G 3 S+ 0 0 170 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.483 103.9 51.4 -76.2 -1.6 16.6 -0.2 22.5 64 64 A N G < S+ 0 0 80 -3,-2.2 4,-0.4 -4,-0.1 -1,-0.3 0.442 91.2 137.4-102.2 2.1 15.2 1.5 19.4 65 65 A R < + 0 0 36 -3,-1.7 2,-0.2 -4,-0.3 21,-0.1 -0.829 56.7 32.9-113.7 137.5 15.2 -1.8 17.2 66 66 A P S S- 0 0 46 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.543 104.2-113.4 -65.1 152.6 13.2 -2.8 15.3 67 67 A L > - 0 0 13 -2,-0.2 3,-1.4 1,-0.1 -2,-0.1 -0.327 40.2-116.8 -58.1 116.7 12.3 0.7 14.4 68 68 A K T 3 S+ 0 0 159 -4,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.310 90.4 17.0 -66.0 144.3 8.7 1.0 15.7 69 69 A G T 3 S+ 0 0 35 1,-0.2 -21,-0.5 -3,-0.1 2,-0.3 0.490 111.5 89.6 80.4 -0.8 5.7 1.6 13.3 70 70 A R S < S- 0 0 11 -3,-1.4 2,-0.5 -23,-0.2 -1,-0.2 -0.934 81.6-115.2-128.1 146.8 7.8 0.5 10.3 71 71 A I E -d 49 0A 14 -23,-2.9 -21,-2.7 -2,-0.3 2,-0.5 -0.772 36.4-146.3 -79.4 124.4 8.5 -2.9 8.6 72 72 A N E +d 50 0A 0 -2,-0.5 16,-1.6 -23,-0.2 15,-1.6 -0.873 20.9 177.2-105.6 125.8 12.3 -3.5 9.1 73 73 A L E -de 51 88A 0 -23,-2.7 -21,-2.0 -2,-0.5 2,-0.4 -0.994 13.3-153.8-129.1 131.0 14.2 -5.4 6.4 74 74 A V E -de 52 89A 0 14,-2.4 16,-1.9 -2,-0.4 2,-0.6 -0.847 7.7-143.0-106.5 136.7 18.0 -6.1 6.6 75 75 A L E +de 53 90A 11 -23,-2.4 -21,-1.2 -2,-0.4 2,-0.3 -0.884 39.3 138.0-100.6 121.2 20.2 -6.5 3.5 76 76 A S - 0 0 13 14,-2.4 16,-0.1 -2,-0.6 -2,-0.0 -0.938 43.2-163.3-157.4 144.7 22.9 -9.1 3.8 77 77 A R S S+ 0 0 165 -2,-0.3 14,-0.1 14,-0.1 -1,-0.1 0.538 98.7 53.1 -89.4 -17.7 24.6 -11.9 1.8 78 78 A E S S+ 0 0 131 13,-0.1 -2,-0.1 2,-0.0 13,-0.0 0.914 91.6 76.8 -85.1 -50.2 26.1 -13.3 5.0 79 79 A L - 0 0 38 1,-0.1 -3,-0.1 12,-0.0 -25,-0.0 -0.321 55.0-166.6 -62.8 145.8 23.1 -13.7 7.3 80 80 A K S S+ 0 0 208 1,-0.2 -1,-0.1 2,-0.0 9,-0.1 0.591 75.7 31.5-106.0 -17.8 20.7 -16.6 6.7 81 81 A E S S- 0 0 151 7,-0.1 -1,-0.2 0, 0.0 7,-0.1 -0.967 101.2 -85.2-133.1 151.7 17.8 -15.4 8.9 82 82 A P - 0 0 49 0, 0.0 3,-0.4 0, 0.0 2,-0.2 -0.366 57.8-119.1 -53.1 129.5 16.5 -11.8 9.7 83 83 A P > - 0 0 11 0, 0.0 3,-1.8 0, 0.0 5,-0.1 -0.562 69.7 -17.4 -80.8 141.0 18.7 -10.7 12.7 84 84 A Q T 3 S- 0 0 100 1,-0.3 3,-0.1 -2,-0.2 -19,-0.0 0.782 130.1 -35.4 44.2 50.0 17.3 -9.9 16.2 85 85 A G T 3 S+ 0 0 49 -3,-0.4 -1,-0.3 1,-0.3 -13,-0.2 0.586 91.4 143.5 85.1 -2.5 13.6 -9.2 15.5 86 86 A A < - 0 0 10 -3,-1.8 -1,-0.3 1,-0.1 -13,-0.2 -0.535 49.5-137.8 -62.0 146.5 14.0 -7.6 12.0 87 87 A H S S+ 0 0 93 -15,-1.6 2,-0.3 1,-0.1 -14,-0.2 0.815 73.8 23.0 -79.0 -33.6 10.9 -8.9 10.0 88 88 A F E -e 73 0A 29 -16,-1.6 -14,-2.4 -7,-0.1 2,-0.4 -0.946 54.6-160.2-138.5 151.0 12.7 -9.6 6.7 89 89 A L E +e 74 0A 39 -2,-0.3 2,-0.3 -16,-0.2 -14,-0.2 -0.997 15.5 171.2-131.3 135.2 16.2 -10.4 5.1 90 90 A S E -e 75 0A 11 -16,-1.9 -14,-2.4 -2,-0.4 3,-0.1 -0.941 36.1-130.3-131.3 157.9 17.2 -10.0 1.4 91 91 A R S S- 0 0 133 -2,-0.3 2,-0.3 -16,-0.2 -14,-0.1 0.741 86.4 -0.2 -77.2 -25.1 20.5 -10.2 -0.4 92 92 A S S > S- 0 0 17 1,-0.1 4,-2.4 -16,-0.1 -1,-0.2 -0.976 75.3 -97.7-157.2 165.9 20.2 -6.9 -2.2 93 93 A L H > S+ 0 0 1 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.876 122.9 53.5 -53.1 -47.6 18.0 -3.9 -2.8 94 94 A D H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.938 110.9 45.6 -55.0 -48.3 16.6 -5.5 -6.0 95 95 A D H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.858 113.0 51.5 -59.9 -38.6 15.7 -8.7 -4.1 96 96 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.943 109.6 48.9 -65.1 -46.1 14.1 -6.5 -1.3 97 97 A L H < S+ 0 0 34 -4,-3.2 4,-0.2 1,-0.2 -2,-0.2 0.884 111.3 51.0 -67.9 -33.8 12.1 -4.6 -3.9 98 98 A K H >X S+ 0 0 119 -4,-2.4 3,-2.6 -5,-0.2 4,-0.8 0.926 104.7 55.6 -58.8 -46.5 11.0 -8.0 -5.4 99 99 A L H >< S+ 0 0 46 -4,-2.3 3,-0.9 1,-0.3 6,-0.5 0.873 95.1 68.4 -58.7 -34.3 9.9 -9.3 -2.0 100 100 A T T 3< S+ 0 0 8 -4,-1.6 -1,-0.3 1,-0.2 8,-0.2 0.673 100.0 49.0 -54.1 -20.8 7.7 -6.3 -1.8 101 101 A E T <4 S+ 0 0 143 -3,-2.6 -1,-0.2 -4,-0.2 -2,-0.2 0.651 90.4 97.3 -97.3 -24.2 5.6 -7.9 -4.7 102 102 A Q S XX S- 0 0 104 -3,-0.9 4,-2.0 -4,-0.8 3,-1.6 -0.300 93.1-100.5 -61.5 152.0 5.3 -11.4 -3.0 103 103 A P H 3> S+ 0 0 111 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.759 116.5 61.0 -47.2 -38.4 2.0 -12.1 -1.0 104 104 A E H 34 S+ 0 0 133 1,-0.2 -4,-0.1 2,-0.1 -5,-0.0 0.760 122.2 20.2 -63.5 -27.3 3.5 -11.5 2.5 105 105 A L H X> S+ 0 0 1 -3,-1.6 3,-1.9 -6,-0.5 4,-1.1 0.571 96.7 96.5-118.3 -16.9 4.4 -7.8 1.7 106 106 A A H 3< S+ 0 0 27 -4,-2.0 3,-0.2 1,-0.3 -2,-0.1 0.834 97.5 27.8 -48.2 -49.3 2.2 -6.9 -1.3 107 107 A N T 3< S+ 0 0 135 -4,-0.5 -1,-0.3 1,-0.1 3,-0.1 -0.083 116.8 65.8-109.4 39.9 -0.7 -5.2 0.6 108 108 A K T <4 S+ 0 0 130 -3,-1.9 -61,-2.1 -8,-0.2 2,-0.4 0.629 81.6 72.7-128.5 -23.5 1.4 -4.1 3.5 109 109 A V E < + c 0 47A 0 -4,-1.1 -107,-0.3 -63,-0.2 -61,-0.2 -0.866 38.3 169.3-114.0 128.0 4.0 -1.5 2.4 110 110 A D E + 0 0 23 -63,-2.8 -108,-2.2 -2,-0.4 -62,-0.2 0.659 66.7 9.5 -91.6-100.8 3.6 2.1 1.5 111 111 A M E - 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