==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/INHIBITOR 05-AUG-10 3OAF . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CODY . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10384.0 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 . 23 12.4 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 . 2 1.1 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 . 18 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.7 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 0 1 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 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 PARALLEL BRIDGES PER LADDER . 1 2 1 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 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 66 0, 0.0 109,-0.2 0, 0.0 110,-0.2 0.000 360.0 360.0 360.0 145.7 14.7 -31.1 -2.2 2 2 A G - 0 0 33 108,-3.0 109,-0.1 1,-0.2 108,-0.0 0.213 360.0 -28.6 -86.8-151.9 13.0 -30.5 1.2 3 3 A S - 0 0 42 1,-0.1 109,-3.5 108,-0.1 2,-0.5 -0.151 50.6-130.7 -68.4 155.2 9.4 -31.1 2.4 4 4 A L E +a 112 0A 45 126,-0.4 128,-1.6 107,-0.2 2,-0.3 -0.911 37.3 169.2-104.4 131.9 6.3 -31.0 0.3 5 5 A N E -ab 113 132A 2 107,-1.9 109,-3.2 -2,-0.5 2,-0.3 -0.983 29.9-148.2-144.8 144.9 3.5 -28.9 1.8 6 6 A C E -ab 114 133A 1 126,-2.8 128,-2.9 -2,-0.3 2,-0.4 -0.874 17.1-166.9-102.9 144.3 0.1 -27.3 1.0 7 7 A I E + b 0 134A 3 107,-2.3 2,-0.3 -2,-0.3 128,-0.2 -0.991 18.8 151.4-130.3 139.6 -0.9 -24.0 2.6 8 8 A V E - b 0 135A 11 126,-2.4 128,-2.4 -2,-0.4 2,-0.4 -0.991 38.1-139.8-156.1 151.6 -4.4 -22.6 2.6 9 9 A A E - b 0 136A 15 -2,-0.3 2,-0.4 126,-0.2 128,-0.2 -0.994 31.7-179.2-115.0 136.7 -7.0 -20.5 4.3 10 10 A V E - b 0 137A 1 126,-2.6 128,-3.0 -2,-0.4 6,-0.2 -0.986 21.4-131.5-140.1 142.2 -10.5 -21.9 4.3 11 11 A S > - 0 0 3 4,-2.0 3,-2.3 -2,-0.4 130,-0.2 -0.300 42.2 -92.9 -87.5 177.2 -13.9 -20.8 5.6 12 12 A Q T 3 S+ 0 0 130 128,-2.9 129,-0.2 126,-0.5 127,-0.1 0.827 128.6 51.1 -65.4 -29.8 -16.2 -23.0 7.6 13 13 A N T 3 S- 0 0 58 127,-0.4 -1,-0.3 129,-0.1 128,-0.1 0.061 125.9-102.6 -93.8 24.5 -18.1 -24.0 4.3 14 14 A M < + 0 0 53 -3,-2.3 134,-2.7 1,-0.2 2,-0.2 0.645 67.9 158.1 76.7 19.1 -14.7 -24.9 2.8 15 15 A G E +I 147 0B 0 132,-0.2 -4,-2.0 1,-0.1 132,-0.3 -0.550 20.3 167.1 -84.4 141.9 -14.5 -21.8 0.6 16 16 A I E + 0 0 22 130,-3.0 2,-0.3 1,-0.3 131,-0.2 0.407 64.5 11.2-126.4 -3.9 -11.1 -20.6 -0.6 17 17 A G E -I 146 0B 7 129,-1.1 128,-3.2 5,-0.1 129,-1.4 -0.982 44.0-162.9-167.5 149.7 -12.1 -18.0 -3.3 18 18 A K B > S-J 21 0C 71 3,-2.5 3,-1.6 -2,-0.3 126,-0.0 -0.888 86.5 -21.0-141.9 121.0 -14.8 -16.0 -4.8 19 19 A N T 3 S- 0 0 138 -2,-0.3 3,-0.1 1,-0.3 125,-0.0 0.822 126.1 -52.8 52.0 40.7 -14.2 -14.4 -8.2 20 20 A G T 3 S+ 0 0 53 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.690 122.4 90.6 71.4 21.0 -10.5 -14.7 -7.8 21 21 A D B < S-J 18 0C 123 -3,-1.6 -3,-2.5 39,-0.0 -1,-0.3 -0.915 88.8 -79.0-133.2 172.7 -10.4 -12.9 -4.5 22 22 A L - 0 0 91 -2,-0.3 -5,-0.1 -5,-0.2 -6,-0.1 -0.403 32.5-134.0 -70.6 137.3 -10.5 -13.9 -0.8 23 23 A P S S+ 0 0 16 0, 0.0 120,-0.2 0, 0.0 -1,-0.1 0.771 90.3 54.0 -60.7 -23.2 -14.2 -14.7 0.4 24 24 A W S S- 0 0 9 1,-0.2 3,-0.1 118,-0.1 -2,-0.1 -0.642 101.6 -88.3-112.5 158.6 -13.3 -12.6 3.6 25 25 A P - 0 0 59 0, 0.0 -1,-0.2 0, 0.0 2,-0.0 -0.266 68.4 -74.0 -59.2 155.3 -12.0 -9.1 4.1 26 26 A P - 0 0 98 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.338 42.2-156.5 -55.3 132.1 -8.2 -9.0 4.2 27 27 A L > - 0 0 10 1,-0.2 4,-2.5 -3,-0.1 5,-0.2 -0.934 5.3-164.8-111.9 105.5 -6.6 -10.4 7.4 28 28 A R H > S+ 0 0 172 -2,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.889 85.4 43.7 -65.4 -45.4 -3.2 -8.8 7.7 29 29 A N H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.825 111.3 56.8 -69.1 -30.4 -1.6 -11.0 10.3 30 30 A E H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.927 109.4 45.6 -65.1 -45.3 -3.0 -14.1 8.5 31 31 A F H X S+ 0 0 88 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.885 108.4 55.8 -62.4 -38.6 -1.3 -13.0 5.4 32 32 A R H X S+ 0 0 149 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.875 108.2 50.6 -59.8 -35.7 1.9 -12.3 7.4 33 33 A Y H X S+ 0 0 8 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.939 108.0 50.4 -68.9 -48.0 1.7 -15.9 8.6 34 34 A F H X S+ 0 0 33 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.914 113.8 47.1 -53.4 -45.2 1.3 -17.2 5.0 35 35 A S H X S+ 0 0 29 -4,-2.7 4,-1.9 2,-0.2 5,-0.3 0.915 113.0 47.1 -63.2 -48.4 4.4 -15.1 4.0 36 36 A R H X S+ 0 0 103 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.936 114.6 46.9 -62.2 -43.0 6.6 -16.3 7.0 37 37 A M H < S+ 0 0 20 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.921 117.1 41.0 -68.8 -44.8 5.7 -20.0 6.5 38 38 A T H < S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.767 120.3 43.5 -73.7 -26.7 6.3 -20.0 2.7 39 39 A T H < S+ 0 0 48 -4,-1.9 9,-0.4 -5,-0.2 2,-0.3 0.827 87.6 95.4 -87.4 -38.7 9.5 -17.9 2.8 40 40 A T < - 0 0 85 -4,-2.3 2,-0.5 -5,-0.3 71,-0.1 -0.347 56.0-168.5 -65.4 115.1 11.4 -19.3 5.8 41 41 A S - 0 0 36 -2,-0.3 5,-0.1 1,-0.1 -1,-0.0 -0.938 21.4-154.4-111.3 131.1 13.9 -21.9 4.7 42 42 A S S S+ 0 0 102 -2,-0.5 2,-0.5 1,-0.1 -1,-0.1 0.736 76.2 77.4 -61.8 -28.2 15.7 -24.2 7.1 43 43 A V S > S- 0 0 57 1,-0.1 3,-1.4 2,-0.0 -1,-0.1 -0.777 81.8-119.6-109.4 119.3 18.7 -24.6 4.7 44 44 A E T 3 S+ 0 0 189 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.136 93.9 10.6 -50.1 136.8 21.5 -22.2 4.0 45 45 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.698 108.4 96.4 70.0 20.9 21.9 -20.9 0.4 46 46 A K < - 0 0 62 -3,-1.4 2,-0.3 -5,-0.1 -1,-0.2 -0.867 56.4-150.5-129.8 163.7 18.5 -22.2 -0.8 47 47 A Q E -c 109 0A 85 61,-2.7 63,-2.4 -2,-0.3 2,-0.2 -0.936 26.4-104.4-124.2 159.2 15.1 -20.7 -1.2 48 48 A N E - d 0 70A 0 21,-0.5 23,-2.5 -9,-0.4 2,-0.5 -0.532 30.1-131.3 -75.1 153.7 11.6 -22.3 -1.0 49 49 A L E -cd 112 71A 0 62,-2.8 64,-2.8 21,-0.2 2,-0.5 -0.879 14.1-155.8-104.8 130.0 9.7 -23.0 -4.2 50 50 A V E -cd 113 72A 0 21,-3.5 23,-2.6 -2,-0.5 2,-0.5 -0.940 7.3-163.1-105.6 137.2 6.0 -22.0 -4.4 51 51 A I E +cd 114 73A 0 62,-2.7 64,-2.7 -2,-0.5 65,-0.5 -0.950 18.6 159.2-118.4 129.8 3.8 -23.8 -6.9 52 52 A M E -cd 116 74A 0 21,-2.0 23,-2.6 -2,-0.5 65,-0.3 -0.995 37.6-107.9-147.7 154.9 0.5 -22.4 -8.0 53 53 A G E > - d 0 75A 11 63,-2.2 4,-2.4 -2,-0.3 23,-0.1 -0.262 42.6-101.6 -73.9 167.3 -2.1 -22.6 -10.8 54 54 A K H > S+ 0 0 58 21,-1.0 4,-2.5 2,-0.2 5,-0.2 0.896 121.5 50.0 -59.5 -49.9 -2.5 -19.8 -13.3 55 55 A K H > S+ 0 0 171 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.886 110.8 50.5 -59.4 -38.8 -5.7 -18.4 -11.7 56 56 A T H >> S+ 0 0 28 2,-0.2 4,-0.7 1,-0.2 3,-0.5 0.935 109.0 52.0 -62.0 -48.7 -3.9 -18.3 -8.3 57 57 A W H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.952 112.0 45.2 -49.3 -56.5 -0.9 -16.5 -9.8 58 58 A F H 3< S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.662 103.8 65.0 -67.9 -15.7 -3.2 -13.8 -11.4 59 59 A S H << S+ 0 0 54 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.603 83.3 92.4 -78.3 -14.2 -5.2 -13.5 -8.1 60 60 A I S << S- 0 0 21 -3,-1.5 5,-0.1 -4,-0.7 -39,-0.0 -0.639 92.7-107.9 -82.9 129.1 -2.0 -12.1 -6.4 61 61 A P > - 0 0 77 0, 0.0 3,-2.5 0, 0.0 4,-0.2 -0.428 28.9-118.7 -54.9 136.8 -1.9 -8.4 -6.5 62 62 A E G > S+ 0 0 145 1,-0.3 3,-1.3 2,-0.2 -2,-0.1 0.721 111.4 63.3 -43.7 -39.3 0.9 -7.3 -9.0 63 63 A K G 3 S+ 0 0 170 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.647 105.2 46.6 -63.5 -19.3 2.9 -5.6 -6.3 64 64 A F G < S+ 0 0 80 -3,-2.5 4,-0.3 3,-0.1 -1,-0.2 0.309 90.7 136.8-105.7 2.7 3.4 -9.0 -4.5 65 65 A R < + 0 0 52 -3,-1.3 2,-0.1 -4,-0.2 21,-0.1 -0.872 62.6 27.9-107.1 135.3 4.4 -10.9 -7.6 66 66 A P S S- 0 0 39 0, 0.0 2,-0.4 0, 0.0 20,-0.1 0.697 103.0-112.5 -62.8 159.4 6.5 -12.8 -7.7 67 67 A L > - 0 0 5 -2,-0.1 3,-1.3 1,-0.1 -2,-0.1 -0.462 45.9-115.7 -54.9 112.9 6.3 -13.8 -4.0 68 68 A K T 3 S+ 0 0 171 -2,-0.4 3,-0.1 -4,-0.3 -1,-0.1 -0.211 90.5 16.4 -64.2 146.5 9.6 -12.3 -2.8 69 69 A G T 3 S+ 0 0 37 1,-0.2 -21,-0.5 -3,-0.0 2,-0.3 0.609 111.6 92.4 73.8 5.7 12.5 -14.5 -1.5 70 70 A R E < S-d 48 0A 13 -3,-1.3 2,-0.4 -23,-0.1 -1,-0.2 -0.977 81.4-116.7-130.2 144.3 10.7 -17.6 -3.1 71 71 A I E -d 49 0A 19 -23,-2.5 -21,-3.5 -2,-0.3 2,-0.6 -0.717 35.7-145.0 -78.0 127.8 11.1 -19.3 -6.4 72 72 A N E +d 50 0A 0 -2,-0.4 16,-2.1 -23,-0.2 15,-1.9 -0.869 20.7 178.6-109.3 121.2 7.8 -18.9 -8.2 73 73 A L E -de 51 88A 0 -23,-2.6 -21,-2.0 -2,-0.6 2,-0.4 -0.971 10.5-158.3-123.7 130.1 6.5 -21.6 -10.5 74 74 A V E -de 52 89A 0 14,-2.8 16,-2.2 -2,-0.5 2,-0.5 -0.843 10.3-139.5-109.5 143.4 3.1 -21.5 -12.3 75 75 A L E +de 53 90A 17 -23,-2.6 -21,-1.0 -2,-0.4 2,-0.3 -0.885 40.2 133.0-104.5 127.1 1.2 -24.5 -13.6 76 76 A S - 0 0 13 14,-2.6 16,-0.1 -2,-0.5 -2,-0.1 -0.899 41.4-163.0-168.9 143.6 -0.5 -24.3 -16.9 77 77 A R S S+ 0 0 143 -2,-0.3 14,-0.1 14,-0.1 -1,-0.1 0.646 98.0 54.5 -96.0 -21.8 -0.9 -26.2 -20.2 78 78 A E S S+ 0 0 151 13,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.858 93.3 77.3 -77.7 -41.6 -2.2 -23.2 -22.1 79 79 A L - 0 0 50 1,-0.1 -3,-0.1 12,-0.0 -25,-0.0 -0.468 58.7-165.3 -72.1 142.5 0.7 -20.9 -21.3 80 80 A K S S+ 0 0 170 1,-0.2 -1,-0.1 -2,-0.2 9,-0.1 0.484 74.9 22.1-109.6 -5.8 3.9 -21.4 -23.3 81 81 A E S S- 0 0 149 7,-0.1 -1,-0.2 9,-0.0 7,-0.1 -0.982 98.5 -79.4-150.5 160.0 6.2 -19.4 -21.1 82 82 A P - 0 0 42 0, 0.0 3,-0.1 0, 0.0 7,-0.1 -0.202 56.9-105.4 -56.5 144.5 6.1 -18.2 -17.4 83 83 A P > - 0 0 14 0, 0.0 3,-2.0 0, 0.0 -9,-0.1 -0.294 56.0 -65.2 -64.4 164.7 3.9 -15.1 -17.0 84 84 A Q T 3 S+ 0 0 175 1,-0.3 3,-0.1 -3,-0.1 -19,-0.0 -0.209 126.9 11.5 -46.9 119.8 5.4 -11.7 -16.5 85 85 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.3 -3,-0.1 -13,-0.1 0.099 102.0 114.1 94.1 -20.7 7.4 -11.8 -13.1 86 86 A A < - 0 0 16 -3,-2.0 -1,-0.3 1,-0.1 -13,-0.1 -0.414 54.7-152.0 -82.1 159.8 7.2 -15.6 -12.7 87 87 A H + 0 0 87 -15,-1.9 2,-0.3 1,-0.3 -14,-0.2 0.822 67.8 20.8-100.6 -36.7 10.2 -17.8 -12.8 88 88 A F E -e 73 0A 46 -16,-2.1 -14,-2.8 -7,-0.1 2,-0.4 -0.947 54.2-157.0-137.6 156.2 9.1 -21.2 -14.0 89 89 A L E +e 74 0A 42 -2,-0.3 2,-0.3 -16,-0.2 -14,-0.2 -0.999 13.3 175.0-133.3 132.4 6.3 -22.9 -15.9 90 90 A S E -e 75 0A 10 -16,-2.2 -14,-2.6 -2,-0.4 3,-0.1 -0.966 31.6-136.9-134.1 154.1 5.2 -26.5 -15.8 91 91 A R S S+ 0 0 128 -2,-0.3 2,-0.3 -16,-0.2 -1,-0.1 0.779 85.0 5.3 -77.4 -28.7 2.3 -28.3 -17.4 92 92 A S S > S- 0 0 16 1,-0.1 4,-2.3 -16,-0.1 5,-0.1 -0.922 74.3-103.6-150.6 166.3 1.4 -30.3 -14.3 93 93 A L H > S+ 0 0 6 -2,-0.3 4,-2.6 2,-0.2 5,-0.3 0.948 119.6 51.9 -60.2 -49.1 2.2 -30.9 -10.7 94 94 A D H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 111.2 49.9 -58.9 -39.0 4.1 -34.1 -11.4 95 95 A D H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 108.2 51.7 -63.3 -44.4 6.1 -32.2 -14.0 96 96 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.902 111.1 47.3 -58.0 -47.1 6.9 -29.4 -11.6 97 97 A L H X S+ 0 0 40 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.907 110.1 53.4 -65.0 -37.3 8.1 -31.8 -8.9 98 98 A K H >X S+ 0 0 112 -4,-2.4 3,-1.9 -5,-0.3 4,-0.6 0.939 105.2 54.3 -57.2 -45.0 10.2 -33.6 -11.6 99 99 A L H >< S+ 0 0 29 -4,-2.4 3,-1.2 1,-0.3 6,-0.3 0.857 94.3 70.3 -56.8 -35.9 11.9 -30.3 -12.6 100 100 A T H 3< S+ 0 0 2 -4,-1.5 -1,-0.3 1,-0.3 9,-0.2 0.751 99.0 49.3 -56.3 -23.7 12.8 -29.9 -8.9 101 101 A E H << S+ 0 0 121 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.660 89.6 102.8 -89.2 -17.2 15.3 -32.8 -9.5 102 102 A Q S XX S- 0 0 94 -3,-1.2 4,-3.2 -4,-0.6 3,-1.6 -0.128 88.6-103.5 -60.3 161.9 16.9 -31.2 -12.7 103 103 A P H 3> S+ 0 0 108 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.819 118.0 59.3 -55.7 -36.6 20.4 -29.5 -12.5 104 104 A E H 34 S+ 0 0 104 1,-0.2 -4,-0.1 2,-0.1 -2,-0.1 0.579 123.7 17.4 -73.5 -11.1 18.8 -26.1 -12.6 105 105 A L H X> S+ 0 0 0 -3,-1.6 3,-2.4 -6,-0.3 4,-1.7 0.618 98.0 91.8-129.5 -31.7 16.7 -26.5 -9.5 106 106 A A H 3< S+ 0 0 24 -4,-3.2 -2,-0.1 -7,-0.3 -4,-0.1 0.734 100.5 30.7 -41.4 -40.4 18.2 -29.5 -7.5 107 107 A N T 3< S+ 0 0 129 -4,-0.5 -1,-0.3 1,-0.1 -3,-0.1 0.380 117.0 58.2-105.6 5.6 20.5 -27.4 -5.4 108 108 A K T <4 S+ 0 0 109 -3,-2.4 -61,-2.7 -8,-0.2 2,-0.5 0.709 89.2 76.1-104.0 -31.0 18.4 -24.3 -5.2 109 109 A V E < + c 0 47A 0 -4,-1.7 -61,-0.2 -63,-0.2 -107,-0.2 -0.775 41.4 167.5 -97.0 125.7 15.1 -25.4 -3.6 110 110 A D E + 0 0 11 -63,-2.4 -108,-3.0 -2,-0.5 -62,-0.2 0.676 66.8 12.1 -90.5 -99.7 14.4 -26.3 -0.0 111 111 A M E - 0 0 27 -110,-0.2 -62,-2.8 -109,-0.1 2,-0.5 -0.453 67.5-141.0 -78.3 146.0 10.8 -26.6 0.9 112 112 A V E -ac 4 49A 3 -109,-3.5 -107,-1.9 -64,-0.2 2,-0.5 -0.951 16.7-167.0-107.6 132.8 8.1 -26.9 -1.7 113 113 A W E -ac 5 50A 4 -64,-2.8 -62,-2.7 -2,-0.5 2,-0.6 -0.981 10.2-155.0-121.5 112.7 4.7 -25.0 -0.9 114 114 A I E +ac 6 51A 0 -109,-3.2 -107,-2.3 -2,-0.5 -62,-0.2 -0.820 14.7 178.4 -84.6 124.4 1.6 -25.6 -3.0 115 115 A V E + 0 0 14 -64,-2.7 2,-0.2 -2,-0.6 -63,-0.2 0.356 38.0 165.7-118.9 10.7 -0.5 -22.4 -2.6 116 116 A G E - c 0 52A 1 -65,-0.5 -63,-2.2 1,-0.2 -1,-0.4 -0.613 54.7-109.6 129.7 178.0 -3.5 -23.3 -4.9 117 117 A G >> - 0 0 17 -65,-0.3 4,-2.6 -2,-0.2 3,-0.6 0.469 56.5 -93.2-102.8-143.1 -6.0 -23.5 -6.3 118 118 A S H 3> S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.835 118.1 45.5 -56.6 -47.4 -8.5 -26.3 -5.8 119 119 A S H 3> S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.861 114.2 48.2 -69.8 -27.9 -7.4 -28.8 -8.5 120 120 A V H <> S+ 0 0 14 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.921 113.3 48.2 -78.3 -42.3 -3.7 -28.5 -7.6 121 121 A Y H X S+ 0 0 9 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.940 112.2 49.9 -53.7 -48.9 -4.5 -29.0 -3.9 122 122 A K H X S+ 0 0 120 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.965 111.2 47.8 -61.4 -45.7 -6.7 -32.0 -4.8 123 123 A E H < S+ 0 0 68 -4,-2.4 3,-0.5 1,-0.3 4,-0.4 0.940 114.6 46.4 -63.2 -46.1 -4.0 -33.7 -6.9 124 124 A A H >< S+ 0 0 5 -4,-2.4 3,-1.2 1,-0.2 -1,-0.3 0.891 107.3 58.1 -57.1 -43.9 -1.3 -33.2 -4.2 125 125 A M H 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.780 113.3 36.6 -67.9 -28.9 -3.6 -34.4 -1.4 126 126 A N T 3< S+ 0 0 85 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.243 89.0 107.0-106.7 12.9 -4.2 -37.9 -3.0 127 127 A H S < S- 0 0 91 -3,-1.2 59,-0.2 -4,-0.4 -4,-0.0 -0.818 81.5-108.1 -88.6 119.7 -0.7 -38.3 -4.5 128 128 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.016 73.8 59.2 -46.7 143.0 1.1 -41.0 -2.4 129 129 A G S S- 0 0 23 2,-0.1 57,-1.4 -3,-0.0 2,-0.5 -0.807 91.0 -33.7 135.9-173.4 3.9 -39.8 -0.1 130 130 A H E + F 0 185A 91 -2,-0.3 -126,-0.4 55,-0.3 2,-0.3 -0.750 66.2 155.9 -87.4 117.2 4.9 -37.5 2.8 131 131 A L E - F 0 184A 4 53,-1.8 53,-2.8 -2,-0.5 2,-0.4 -0.992 26.6-156.5-148.1 135.6 2.8 -34.3 2.7 132 132 A K E -bF 5 183A 24 -128,-1.6 -126,-2.8 -2,-0.3 2,-0.5 -0.897 6.6-152.4-110.6 149.4 1.7 -31.6 5.2 133 133 A L E -bF 6 182A 1 49,-2.6 49,-2.7 -2,-0.4 2,-0.8 -0.982 1.7-159.7-116.8 122.5 -1.2 -29.3 5.0 134 134 A F E -bF 7 181A 4 -128,-2.9 -126,-2.4 -2,-0.5 2,-0.5 -0.881 23.6-177.2-101.6 109.5 -1.0 -25.9 6.8 135 135 A V E -bF 8 180A 0 45,-2.4 45,-2.3 -2,-0.8 2,-0.6 -0.929 22.5-157.7-117.1 126.5 -4.6 -25.0 7.1 136 136 A T E -bF 9 179A 0 -128,-2.4 -126,-2.6 -2,-0.5 2,-0.7 -0.910 17.2-147.2-100.0 123.5 -6.0 -21.8 8.6 137 137 A R E -bF 10 178A 58 41,-2.7 41,-1.8 -2,-0.6 2,-0.7 -0.817 4.5-159.1 -93.4 107.5 -9.6 -22.3 9.7 138 138 A I E - F 0 177A 2 -128,-3.0 2,-1.2 -2,-0.7 -126,-0.5 -0.868 18.0-143.6 -84.6 116.7 -11.6 -19.1 9.2 139 139 A M + 0 0 67 37,-2.6 2,-0.3 -2,-0.7 37,-0.2 -0.226 68.6 67.8 -93.5 44.1 -14.4 -20.0 11.6 140 140 A Q S S- 0 0 73 -2,-1.2 -128,-2.9 35,-0.1 -127,-0.4 -0.963 85.6-101.6-142.1 166.5 -17.3 -18.4 9.8 141 141 A D - 0 0 102 -2,-0.3 2,-0.4 -130,-0.2 -2,-0.1 -0.687 36.6-173.4 -88.8 141.0 -19.1 -19.1 6.5 142 142 A F - 0 0 37 -2,-0.4 -127,-0.1 -4,-0.1 -131,-0.1 -1.000 33.8-105.8-132.9 140.5 -18.2 -16.9 3.6 143 143 A E + 0 0 144 -2,-0.4 2,-0.3 -120,-0.2 -132,-0.0 -0.411 55.2 169.8 -63.0 133.3 -19.9 -16.9 0.1 144 144 A S - 0 0 19 -2,-0.1 -126,-0.3 -131,-0.1 3,-0.1 -0.946 40.8-162.1-142.7 161.3 -17.4 -18.7 -2.2 145 145 A D S S+ 0 0 88 -128,-3.2 2,-0.3 -2,-0.3 -127,-0.2 0.362 82.7 47.4-129.5 5.1 -17.1 -20.1 -5.7 146 146 A T E S-I 17 0B 42 -129,-1.4 -130,-3.0 -28,-0.0 -129,-1.1 -0.990 72.2-161.2-142.3 147.9 -14.0 -22.3 -5.2 147 147 A F E -I 15 0B 94 -2,-0.3 -132,-0.2 -132,-0.3 -133,-0.1 -0.929 22.6-107.7-137.6 151.0 -13.4 -24.7 -2.4 148 148 A F - 0 0 7 -134,-2.7 3,-0.1 -2,-0.3 -30,-0.1 -0.474 45.8-111.0 -70.5 139.5 -10.8 -26.7 -0.6 149 149 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -135,-0.0 -0.372 45.2 -78.2 -68.6 161.9 -10.9 -30.4 -1.3 150 150 A E - 0 0 167 1,-0.1 2,-0.7 -2,-0.0 -136,-0.0 -0.211 38.8-136.2 -56.3 128.8 -12.0 -32.9 1.4 151 151 A I - 0 0 17 -3,-0.1 2,-1.0 4,-0.0 -1,-0.1 -0.840 13.2-144.5 -89.2 114.1 -9.4 -33.7 4.0 152 152 A D >> - 0 0 70 -2,-0.7 4,-2.9 1,-0.2 3,-1.2 -0.692 11.6-167.4 -82.5 104.8 -9.4 -37.5 4.6 153 153 A L T 34 S+ 0 0 110 -2,-1.0 -1,-0.2 1,-0.3 5,-0.1 0.574 81.3 72.3 -73.9 -11.9 -8.6 -37.7 8.3 154 154 A E T 34 S+ 0 0 165 1,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.881 116.5 22.5 -65.4 -32.7 -8.0 -41.4 8.0 155 155 A K T <4 S+ 0 0 64 -3,-1.2 2,-0.9 1,-0.2 30,-0.3 0.807 117.0 67.4 -98.0 -43.4 -4.7 -40.4 6.3 156 156 A Y < - 0 0 3 -4,-2.9 2,-0.4 28,-0.1 28,-0.2 -0.700 67.8-159.4 -90.4 110.9 -4.2 -36.8 7.5 157 157 A K E -G 183 0A 139 26,-2.5 26,-1.9 -2,-0.9 2,-0.4 -0.666 17.2-129.8 -91.1 131.1 -3.3 -36.5 11.2 158 158 A L E -G 182 0A 93 -2,-0.4 24,-0.2 24,-0.2 -1,-0.1 -0.627 28.3-129.3 -76.5 124.4 -3.9 -33.2 12.9 159 159 A L - 0 0 37 22,-3.4 22,-0.4 -2,-0.4 3,-0.1 -0.538 5.6-132.8 -80.3 143.5 -0.7 -32.4 14.8 160 160 A P S S- 0 0 130 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.699 82.5 -23.1 -74.7 -13.5 -1.1 -31.4 18.4 161 161 A E - 0 0 149 20,-0.1 5,-0.1 2,-0.0 19,-0.0 -0.922 59.1-151.1-176.3 169.9 1.2 -28.5 17.9 162 162 A Y > - 0 0 76 3,-0.5 3,-1.7 -2,-0.3 2,-0.0 -0.967 31.6-103.3-153.6 136.1 4.0 -27.3 15.6 163 163 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.368 109.0 20.6 -64.4 130.5 7.0 -24.9 16.2 164 164 A G T 3 S+ 0 0 42 1,-0.2 2,-0.6 -2,-0.0 -127,-0.1 0.398 103.2 103.6 96.6 -4.0 6.2 -21.5 14.7 165 165 A V S < S- 0 0 16 -3,-1.7 -3,-0.5 14,-0.0 -1,-0.2 -0.942 71.0-130.7-123.4 116.6 2.5 -22.0 14.6 166 166 A L - 0 0 77 -2,-0.6 13,-0.5 1,-0.1 4,-0.1 -0.435 13.8-160.9 -66.1 135.1 0.3 -20.3 17.2 167 167 A S + 0 0 85 -2,-0.1 -1,-0.1 11,-0.1 2,-0.1 0.616 62.0 79.1 -89.1 -20.0 -2.1 -22.9 18.7 168 168 A D S S- 0 0 107 1,-0.1 11,-0.4 10,-0.1 2,-0.2 -0.386 92.0 -76.2 -91.8 174.6 -4.7 -20.5 20.1 169 169 A V - 0 0 80 9,-0.1 2,-0.3 -2,-0.1 9,-0.2 -0.416 43.8-160.5 -73.3 133.1 -7.7 -18.6 18.5 170 170 A Q E -H 177 0A 33 7,-3.4 7,-2.5 -2,-0.2 2,-0.3 -0.724 4.4-165.2-107.3 162.5 -6.8 -15.5 16.5 171 171 A E E +H 176 0A 105 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.927 13.4 164.5-155.4 125.3 -9.1 -12.7 15.6 172 172 A E E > S+H 175 0A 27 3,-2.1 3,-2.4 -2,-0.3 -2,-0.0 -0.997 72.0 0.8-139.9 146.3 -8.9 -9.9 13.0 173 173 A K T 3 S- 0 0 140 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.820 131.1 -57.0 46.9 34.9 -11.6 -7.5 11.6 174 174 A G T 3 S+ 0 0 54 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.498 113.2 118.2 84.3 1.2 -14.1 -9.3 13.9 175 175 A I E < - H 0 172A 7 -3,-2.4 -3,-2.1 -35,-0.0 2,-0.3 -0.911 54.4-145.7-113.7 121.3 -13.4 -12.8 12.4 176 176 A K E + H 0 171A 105 -2,-0.5 -37,-2.6 -5,-0.2 2,-0.3 -0.579 28.3 162.1 -85.1 137.4 -12.0 -15.7 14.6 177 177 A Y E -FH 138 170A 1 -7,-2.5 -7,-3.4 -2,-0.3 2,-0.3 -0.969 18.9-158.4-147.5 168.1 -9.6 -18.1 13.0 178 178 A K E -F 137 0A 74 -41,-1.8 -41,-2.7 -2,-0.3 2,-0.4 -0.988 19.0-119.6-150.6 156.1 -7.0 -20.7 14.0 179 179 A F E -F 136 0A 17 -13,-0.5 2,-0.3 -11,-0.4 -43,-0.2 -0.826 29.4-179.8-102.6 142.2 -3.9 -22.4 12.5 180 180 A E E -F 135 0A 28 -45,-2.3 -45,-2.4 -2,-0.4 2,-0.4 -0.940 15.0-154.6-135.9 152.3 -3.7 -26.2 12.0 181 181 A V E -F 134 0A 5 -22,-0.4 -22,-3.4 -2,-0.3 2,-0.3 -0.991 12.3-171.5-130.2 126.9 -1.1 -28.5 10.6 182 182 A Y E -FG 133 158A 11 -49,-2.7 -49,-2.6 -2,-0.4 2,-0.4 -0.869 2.2-166.4-115.0 151.0 -1.9 -31.9 9.1 183 183 A E E +FG 132 157A 61 -26,-1.9 -26,-2.5 -2,-0.3 2,-0.3 -0.986 9.2 175.0-137.3 133.1 0.5 -34.6 8.1 184 184 A K E -F 131 0A 4 -53,-2.8 -53,-1.8 -2,-0.4 2,-0.2 -0.878 7.7-174.8-124.0 163.5 0.1 -37.8 6.0 185 185 A N E F 130 0A 117 -2,-0.3 -55,-0.3 -30,-0.3 -2,-0.0 -0.689 360.0 360.0-155.4 95.9 2.7 -40.3 4.8 186 186 A D 0 0 100 -57,-1.4 -56,-0.1 -2,-0.2 -1,-0.1 0.178 360.0 360.0-135.9 360.0 1.4 -43.0 2.6