==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE, TRANSFERASE 13-FEB-12 4DPH . COMPND 2 MOLECULE: BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR Y.YUTHAVONG,T.VILAIVAN,S.KAMCHONWONGPAISAN,S.A.CHARMAN,D.N.M . 1067 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48478.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 744 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 12.7 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 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 111 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.4 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 5 3 4 4 1 3 2 4 3 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 1 1 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 2 5 3 2 0 1 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 2 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 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 3 A E 0 0 184 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.2 43.7 -20.2 55.8 2 4 A Q > - 0 0 113 1,-0.1 4,-1.5 4,-0.0 3,-0.2 -0.357 360.0-112.7 -78.0 163.3 43.7 -16.8 57.6 3 5 A V H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.870 110.3 59.3 -66.0 -37.6 40.9 -15.5 59.9 4 6 A C H >>S+ 0 0 8 162,-0.4 5,-1.4 1,-0.2 4,-1.1 0.863 105.9 45.4 -61.9 -41.7 39.8 -12.7 57.5 5 7 A D H 45S+ 0 0 79 -3,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.929 113.1 50.1 -71.0 -44.0 38.9 -14.9 54.5 6 8 A V H <5S+ 0 0 3 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.942 119.7 34.3 -60.9 -47.8 37.1 -17.5 56.5 7 9 A F H <5S- 0 0 1 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.558 100.4-129.6 -94.4 -0.6 34.9 -15.0 58.4 8 10 A D T <5 - 0 0 2 -4,-1.1 142,-2.4 -3,-0.3 2,-0.6 0.973 37.6-179.4 54.1 62.7 34.5 -12.5 55.6 9 11 A I E < +a 150 0A 0 -5,-1.4 160,-3.1 158,-0.3 161,-0.5 -0.862 3.8 170.9-101.3 124.3 35.4 -9.5 57.6 10 12 A Y E -a 151 0A 0 140,-3.1 142,-3.3 -2,-0.6 2,-0.3 -0.908 25.0-136.4-129.3 151.8 35.4 -6.1 55.9 11 13 A A E -ab 152 171A 1 159,-2.3 161,-3.1 -2,-0.3 2,-0.4 -0.844 15.1-169.7-103.3 149.8 35.7 -2.5 56.9 12 14 A I E + b 0 172A 8 140,-1.9 2,-0.3 -2,-0.3 161,-0.2 -0.989 18.7 151.6-138.7 132.1 33.5 0.3 55.6 13 15 A C E - b 0 173A 8 159,-2.6 161,-2.1 -2,-0.4 2,-0.4 -0.885 34.6-136.4-148.8 173.0 34.2 4.0 56.2 14 16 A A E - b 0 174A 13 -2,-0.3 2,-0.4 159,-0.2 161,-0.2 -0.982 23.5-170.8-140.5 126.8 33.8 7.5 54.8 15 17 A C E - b 0 175A 0 159,-3.2 161,-3.1 -2,-0.4 23,-0.2 -0.984 6.9-171.1-129.9 132.2 36.6 10.1 54.9 16 18 A C E -J 37 0B 0 21,-1.4 20,-2.1 -2,-0.4 21,-1.8 -0.342 37.5 -89.6 -96.7-176.7 36.8 13.8 54.1 17 19 A K E - b 0 179A 17 161,-2.9 163,-2.1 159,-0.4 2,-0.3 -0.698 43.4-139.7 -94.2 154.3 39.8 16.0 53.8 18 20 A V E - b 0 180A 19 16,-0.5 2,-1.1 -2,-0.3 163,-0.2 -0.870 25.1 -87.0-125.4 152.8 41.1 17.8 56.9 19 21 A E + 0 0 127 161,-0.5 163,-0.1 -2,-0.3 162,-0.0 -0.337 52.3 168.4 -68.8 91.4 42.5 21.3 57.8 20 22 A S - 0 0 59 -2,-1.1 2,-0.3 1,-0.2 -1,-0.1 0.381 39.5 -60.8 -76.7-147.2 46.2 21.4 57.1 21 23 A K - 0 0 148 3,-0.0 2,-0.5 1,-0.0 3,-0.2 -0.718 25.0-140.6-108.8 156.7 48.5 24.6 57.0 22 24 A N + 0 0 143 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 -0.613 69.2 105.8-113.1 68.4 48.6 27.8 54.9 23 25 A E S S- 0 0 169 -2,-0.5 -1,-0.2 0, 0.0 -2,-0.0 0.220 111.0 -15.3-125.5 6.4 52.3 28.3 54.4 24 26 A G S > S+ 0 0 56 -3,-0.2 3,-0.6 0, 0.0 -2,-0.1 0.228 93.2 133.0 156.0 26.4 52.5 27.2 50.7 25 27 A K T 3 + 0 0 65 1,-0.2 3,-0.4 3,-0.1 -5,-0.1 0.124 55.7 79.3 -93.7 15.8 49.1 25.4 50.4 26 28 A K T 3 S+ 0 0 199 1,-0.2 2,-0.6 0, 0.0 -1,-0.2 0.846 109.1 33.1 -70.9 -45.5 48.1 27.1 47.1 27 29 A N S < S+ 0 0 101 -3,-0.6 -1,-0.2 2,-0.0 2,-0.2 -0.643 92.5 155.0-111.0 70.6 50.5 24.4 45.8 28 30 A E - 0 0 63 -2,-0.6 2,-0.2 -3,-0.4 -3,-0.1 -0.558 39.9-114.7 -94.2 162.7 50.0 21.4 48.1 29 31 A V - 0 0 120 -2,-0.2 2,-0.3 501,-0.0 503,-0.1 -0.629 25.1-154.8 -93.1 149.9 50.5 17.7 47.5 30 32 A F + 0 0 34 501,-0.2 2,-0.2 -2,-0.2 503,-0.1 -0.955 22.2 147.4-126.8 148.1 47.7 15.0 47.5 31 33 A N > - 0 0 80 -2,-0.3 3,-1.0 501,-0.1 4,-0.3 -0.818 64.8 -72.6-150.8-166.0 47.7 11.3 48.2 32 34 A N G > S+ 0 0 62 -2,-0.2 3,-1.4 1,-0.2 -1,-0.0 0.880 127.4 62.5 -65.0 -35.3 45.4 8.6 49.6 33 35 A Y G 3 S+ 0 0 71 1,-0.3 -1,-0.2 156,-0.1 153,-0.1 0.507 80.5 85.2 -69.4 -4.8 46.0 10.0 53.1 34 36 A T G < S+ 0 0 14 -3,-1.0 2,-0.8 1,-0.2 -16,-0.5 0.866 88.5 54.3 -55.7 -42.9 44.3 13.3 51.8 35 37 A F S < S+ 0 0 5 -3,-1.4 -18,-0.2 -4,-0.3 -1,-0.2 -0.881 72.1 114.5 -97.6 107.2 41.0 11.6 52.7 36 38 A R + 0 0 67 -20,-2.1 150,-2.7 -2,-0.8 2,-0.4 0.455 28.6 118.1-150.9 -8.9 41.3 10.6 56.4 37 39 A G E +JK 16 185B 0 -21,-1.8 -21,-1.4 -3,-0.2 148,-0.2 -0.575 23.9 162.0 -76.8 127.1 38.8 12.5 58.6 38 40 A L E - 0 0 19 146,-2.6 2,-0.3 1,-0.4 147,-0.2 0.764 57.0 -0.1-114.9 -45.1 36.3 10.2 60.3 39 41 A G E - K 0 184B 10 145,-1.2 144,-2.2 5,-0.2 145,-1.9 -0.928 44.0-158.8-142.3 171.1 34.9 12.2 63.1 40 42 A N B > S-L 43 0C 22 3,-3.3 3,-1.5 -2,-0.3 142,-0.1 -0.914 81.1 -6.4-150.6 124.9 34.8 15.4 65.1 41 43 A K T 3 S- 0 0 135 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.917 127.0 -55.4 58.0 51.1 33.5 15.7 68.7 42 44 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.401 128.6 77.4 60.8 -1.0 32.2 12.1 69.0 43 45 A V B < S-L 40 0C 81 -3,-1.5 -3,-3.3 1,-0.1 -1,-0.2 -0.677 95.1 -70.5-121.1-178.5 30.1 12.7 65.9 44 46 A L - 0 0 94 -5,-0.3 -5,-0.2 -2,-0.2 -1,-0.1 -0.446 39.6-123.5 -73.6 148.1 30.6 12.8 62.1 45 47 A P S S+ 0 0 18 0, 0.0 2,-0.3 0, 0.0 136,-0.2 0.665 89.7 54.1 -67.3 -13.8 32.5 15.9 60.7 46 48 A W S S- 0 0 20 1,-0.2 3,-0.2 134,-0.1 -2,-0.1 -0.798 79.1-122.1-126.3 158.9 29.6 16.8 58.3 47 49 A K S S- 0 0 216 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.993 83.2 -27.7 -62.1 -82.4 25.9 17.5 58.5 48 50 A C + 0 0 66 158,-0.1 2,-0.7 157,-0.0 -1,-0.2 -0.936 45.9 179.3-142.7 118.8 24.2 14.9 56.1 49 51 A I > - 0 0 5 -2,-0.4 4,-1.8 -3,-0.2 3,-0.3 -0.866 16.7-178.7-109.6 92.3 25.7 13.2 53.1 50 52 A S H > S+ 0 0 57 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.827 73.3 58.7 -66.9 -32.4 22.7 11.2 52.3 51 53 A L H > S+ 0 0 18 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.905 105.9 50.2 -64.4 -38.7 24.1 9.4 49.3 52 54 A D H > S+ 0 0 18 -3,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.944 111.1 50.0 -61.8 -44.6 26.9 8.0 51.5 53 55 A M H X S+ 0 0 77 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.919 109.8 49.7 -56.2 -46.0 24.2 6.9 54.0 54 56 A K H X S+ 0 0 92 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.934 113.9 46.3 -62.0 -41.8 22.3 5.2 51.2 55 57 A Y H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.966 112.4 50.0 -61.3 -55.3 25.5 3.4 50.1 56 58 A F H X S+ 0 0 38 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.873 112.7 46.3 -46.9 -50.4 26.4 2.4 53.6 57 59 A R H X S+ 0 0 122 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.899 112.8 50.0 -64.6 -41.8 23.0 1.0 54.3 58 60 A A H X S+ 0 0 25 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.886 113.8 43.4 -70.8 -37.8 22.8 -0.9 51.0 59 61 A V H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.886 115.7 47.2 -71.2 -41.3 26.2 -2.6 51.3 60 62 A T H < S+ 0 0 0 -4,-2.0 29,-0.3 -5,-0.3 -1,-0.2 0.646 118.5 41.7 -81.5 -11.8 25.8 -3.5 55.0 61 63 A T H < S+ 0 0 33 -4,-1.2 2,-0.3 -5,-0.2 -1,-0.2 0.604 87.6 106.5-109.6 -13.3 22.4 -4.9 54.4 62 64 A Y < + 0 0 66 -4,-1.1 2,-0.3 -5,-0.2 87,-0.2 -0.514 42.0 170.9 -72.5 127.4 22.9 -6.8 51.1 63 65 A V - 0 0 29 -2,-0.3 2,-0.6 85,-0.1 26,-0.0 -0.988 26.6-147.3-131.4 145.1 23.1 -10.5 51.4 64 66 A N > - 0 0 37 -2,-0.3 4,-0.6 1,-0.2 3,-0.2 -0.942 9.8-163.1-111.3 108.3 23.1 -13.3 48.7 65 67 A E H >> S+ 0 0 110 -2,-0.6 3,-1.5 1,-0.2 4,-0.6 0.909 85.5 51.6 -56.3 -52.3 21.3 -16.4 50.0 66 68 A S H 34 S+ 0 0 87 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.858 104.5 57.1 -58.2 -37.6 22.6 -18.9 47.4 67 69 A K H 34 S+ 0 0 33 -3,-0.2 3,-0.4 1,-0.2 4,-0.3 0.689 94.3 73.7 -67.2 -16.4 26.2 -17.9 48.0 68 70 A Y H XX S+ 0 0 25 -3,-1.5 4,-3.9 -4,-0.6 3,-2.7 0.910 80.7 62.4 -66.3 -49.7 25.8 -18.8 51.7 69 71 A E T 3< S+ 0 0 113 -4,-0.6 -1,-0.2 -3,-0.5 4,-0.2 0.801 106.2 50.6 -50.4 -30.8 25.7 -22.6 51.6 70 72 A K T 3> S+ 0 0 146 -3,-0.4 4,-0.8 -4,-0.4 -1,-0.3 0.579 114.8 41.3 -84.3 -14.9 29.3 -22.4 50.3 71 73 A L H <> S+ 0 0 27 -3,-2.7 4,-2.4 -4,-0.3 5,-0.3 0.734 109.4 59.2 -94.3 -36.4 30.4 -20.0 53.1 72 74 A K H < S+ 0 0 68 -4,-3.9 4,-0.3 1,-0.2 -2,-0.2 0.594 112.4 42.6 -62.3 -15.3 28.4 -22.1 55.6 73 75 A Y H > S+ 0 0 104 -5,-0.4 4,-2.2 -4,-0.2 -1,-0.2 0.802 111.0 52.2 -98.8 -41.7 30.6 -24.9 54.4 74 76 A K H X S+ 0 0 65 -4,-0.8 4,-1.7 1,-0.2 -2,-0.2 0.903 112.5 45.1 -59.5 -46.2 34.0 -23.0 54.3 75 77 A R H X S+ 0 0 19 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.882 112.2 51.5 -68.2 -41.1 33.6 -21.7 57.9 76 78 A C H >>S+ 0 0 34 -5,-0.3 5,-1.9 -4,-0.3 4,-0.8 0.908 107.3 52.7 -63.6 -43.1 32.6 -25.1 59.3 77 79 A K H ><5S+ 0 0 114 -4,-2.2 3,-0.7 3,-0.2 -1,-0.2 0.907 107.9 52.5 -58.2 -42.6 35.5 -26.8 57.7 78 80 A Y H 3<5S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.848 116.0 38.7 -62.4 -36.4 37.8 -24.3 59.4 79 81 A L H 3<5S- 0 0 65 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.422 120.6-107.2 -93.2 0.1 36.3 -24.9 62.8 80 82 A N T <<5S+ 0 0 148 -4,-0.8 2,-0.3 -3,-0.7 -3,-0.2 0.983 71.4 132.6 66.5 64.1 36.0 -28.7 62.2 81 83 A K < - 0 0 117 -5,-1.9 -1,-0.2 -8,-0.2 2,-0.1 -0.986 53.3-123.9-131.4 148.4 32.2 -29.2 61.8 82 84 A E 0 0 175 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.451 360.0 360.0 -71.1 160.8 30.2 -31.0 59.2 83 85 A T 0 0 109 -2,-0.1 -1,-0.1 -7,-0.0 -10,-0.1 -0.427 360.0 360.0 -58.4 360.0 27.6 -29.0 57.3 84 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 85 96 A K 0 0 251 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -29.7 14.9 -16.4 59.9 86 97 A K - 0 0 154 1,-0.1 2,-0.1 0, 0.0 24,-0.0 -0.670 360.0-104.3 -87.7 134.7 16.3 -14.2 57.0 87 98 A L - 0 0 20 -2,-0.3 2,-0.3 60,-0.1 60,-0.1 -0.334 48.1-178.1 -60.9 131.7 20.1 -14.2 56.4 88 99 A Q E -c 147 0A 56 58,-0.5 60,-1.7 -2,-0.1 2,-0.2 -0.861 25.0-116.1-129.7 160.5 21.7 -11.0 57.7 89 100 A N E - d 0 111A 0 21,-0.5 23,-3.1 -29,-0.3 2,-0.4 -0.575 28.2-123.6 -89.6 162.2 25.1 -9.4 57.9 90 101 A V E -cd 150 112A 0 59,-2.8 61,-2.6 -2,-0.2 2,-0.4 -0.864 21.8-163.6-104.4 142.3 26.9 -8.7 61.1 91 102 A V E -cd 151 113A 0 21,-2.9 23,-2.7 -2,-0.4 2,-0.4 -0.997 2.3-157.8-130.4 133.8 28.0 -5.2 61.9 92 103 A V E -cd 152 114A 0 59,-2.5 61,-3.0 -2,-0.4 62,-0.4 -0.901 10.8-174.4-115.2 133.7 30.6 -4.3 64.6 93 104 A M E - d 0 115A 0 21,-2.4 23,-2.2 -2,-0.4 62,-0.2 -0.984 26.6-124.1-135.3 129.7 30.9 -0.9 66.3 94 105 A G E > - d 0 116A 8 60,-2.3 4,-2.3 -2,-0.4 23,-0.1 -0.273 40.9-110.6 -51.2 155.9 33.3 0.7 68.8 95 106 A R H > S+ 0 0 67 21,-0.8 4,-2.3 2,-0.2 5,-0.2 0.908 117.7 50.0 -62.0 -46.7 31.3 2.0 71.7 96 107 A T H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 110.1 51.5 -60.2 -44.7 31.8 5.7 70.8 97 108 A N H > S+ 0 0 35 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.942 109.0 52.1 -51.4 -47.8 30.7 5.0 67.3 98 109 A W H >< S+ 0 0 10 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.908 108.6 49.2 -60.4 -42.0 27.6 3.4 68.8 99 110 A E H 3< S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 103.4 61.6 -65.7 -36.3 26.8 6.4 71.0 100 111 A S H 3< S+ 0 0 38 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.801 84.2 93.6 -60.1 -31.6 27.2 8.7 68.0 101 112 A I S << S- 0 0 27 -4,-1.1 5,-0.1 -3,-0.5 4,-0.0 -0.461 86.1-111.1 -68.5 131.7 24.3 7.0 66.1 102 113 A P > - 0 0 69 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.285 26.3-117.7 -59.3 146.2 20.8 8.6 66.6 103 114 A K G > S+ 0 0 170 1,-0.3 3,-2.3 2,-0.2 -2,-0.1 0.875 108.9 62.4 -57.4 -45.6 18.5 6.5 68.6 104 115 A K G 3 S+ 0 0 179 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.500 103.4 52.9 -61.7 -1.7 15.8 6.0 65.8 105 116 A F G < S+ 0 0 100 -3,-1.9 4,-0.4 3,-0.1 -1,-0.3 0.418 90.9 134.8-107.1 -1.4 18.5 4.2 63.7 106 117 A K < + 0 0 43 -3,-2.3 2,-0.2 -4,-0.2 -8,-0.0 -0.877 59.1 25.8-121.4 134.7 19.4 1.7 66.4 107 118 A P S S- 0 0 47 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.654 107.6-106.7 -66.0 156.3 19.9 -1.1 66.3 108 119 A L > - 0 0 13 -2,-0.2 3,-1.4 1,-0.1 -2,-0.2 -0.322 45.5-105.2 -55.8 124.4 20.8 -0.9 62.6 109 120 A S T 3 S+ 0 0 62 -4,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.147 93.4 3.6 -62.6 146.3 17.9 -2.3 60.7 110 121 A N T 3 S+ 0 0 103 1,-0.2 -21,-0.5 -3,-0.1 2,-0.3 0.655 110.7 102.1 58.5 21.7 18.1 -5.7 59.2 111 122 A R E < S-d 89 0A 16 -3,-1.4 2,-1.0 -23,-0.2 -21,-0.2 -0.973 78.3-115.0-133.8 148.3 21.6 -6.3 60.6 112 123 A I E -d 90 0A 24 -23,-3.1 -21,-2.9 -2,-0.3 2,-0.3 -0.735 39.4-145.0 -80.4 105.6 23.1 -8.2 63.5 113 124 A N E +d 91 0A 4 -2,-1.0 17,-2.2 15,-0.4 2,-0.4 -0.563 21.0 179.9 -79.2 132.3 24.4 -5.5 65.7 114 125 A V E -de 92 130A 0 -23,-2.7 -21,-2.4 -2,-0.3 2,-0.5 -0.999 8.1-161.5-131.4 132.7 27.7 -6.1 67.7 115 126 A I E -de 93 131A 0 15,-3.1 17,-2.3 -2,-0.4 2,-0.5 -0.950 11.0-143.3-122.6 122.1 29.3 -3.5 70.0 116 127 A L E +de 94 132A 18 -23,-2.2 -21,-0.8 -2,-0.5 2,-0.3 -0.678 39.0 149.3 -75.7 123.3 32.9 -3.5 71.3 117 128 A S + 0 0 9 15,-3.2 -2,-0.0 -2,-0.5 -23,-0.0 -0.980 37.6 176.9-156.9 144.0 33.2 -2.2 74.9 118 129 A R S S+ 0 0 196 -2,-0.3 -1,-0.1 3,-0.0 15,-0.0 0.766 92.0 48.9 -97.1 -55.3 35.1 -2.4 78.2 119 130 A T S S+ 0 0 107 2,-0.0 2,-0.3 14,-0.0 14,-0.0 0.500 111.6 51.9 -69.3 -6.2 33.2 0.2 80.3 120 131 A L - 0 0 39 3,-0.0 2,-0.2 2,-0.0 -3,-0.1 -0.925 62.3-165.6-133.9 155.6 29.8 -1.1 79.5 121 132 A K > - 0 0 134 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41.7 -5.3 48.7 217 228 A K E - G 0 194A 65 -48,-1.7 -23,-0.3 -2,-0.3 2,-0.2 -0.490 40.2-130.3 -62.9 125.5 44.3 -7.1 50.8 218 229 A T - 0 0 26 -25,-3.6 2,-0.9 -2,-0.3 -1,-0.1 -0.554 3.2-136.6 -78.0 141.4 47.4 -7.7 48.7 219 230 A N 0 0 163 -2,-0.2 -26,-0.1 -25,-0.0 -1,-0.1 -0.598 360.0 360.0 -96.3 68.7 49.0 -11.2 48.7 220 231 A N 0 0 197 -2,-0.9 -2,-0.1 -28,-0.2 -28,-0.0 -0.972 360.0 360.0-117.2 360.0 52.7 -10.2 49.0 221 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 222 283 A D 0 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.2 21.7 -21.1 33.4 223 284 A D + 0 0 40 2,-0.0 4,-0.3 3,-0.0 3,-0.2 0.304 360.0 93.6-168.6 9.9 25.1 -21.8 31.6 224 285 A E S >> S+ 0 0 37 1,-0.2 3,-1.4 2,-0.2 4,-0.9 0.865 89.1 58.5 -71.4 -38.1 24.6 -23.6 28.2 225 286 A E H 3> S+ 0 0 9 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.551 88.3 72.9 -70.7 -11.3 24.6 -20.1 26.7 226 287 A E H 3> S+ 0 0 115 -3,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.782 97.6 50.3 -71.0 -28.5 28.1 -19.5 28.1 227 288 A D H X> S+ 0 0 2 -3,-1.4 4,-1.6 -4,-0.3 3,-0.7 0.889 102.7 58.5 -72.3 -44.1 29.4 -21.9 25.4 228 289 A D H 3X S+ 0 0 0 -4,-0.9 4,-2.4 1,-0.2 -2,-0.2 0.869 99.6 60.1 -51.9 -39.6 27.5 -20.0 22.7 229 290 A F H 3< S+ 0 0 89 -4,-1.2 -1,-0.2 1,-0.2 4,-0.2 0.858 104.2 49.1 -56.2 -41.1 29.5 -16.9 23.7 230 291 A V H X< S+ 0 0 55 -4,-0.7 3,-0.7 -3,-0.7 -1,-0.2 0.838 109.1 52.7 -67.8 -37.7 32.8 -18.7 22.9 231 292 A Y H >< S+ 0 0 4 -4,-1.6 3,-1.8 1,-0.2 -2,-0.2 0.970 106.9 51.1 -63.1 -51.3 31.5 -19.8 19.5 232 293 A F T 3< S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.3 501,-0.2 0.504 105.3 59.4 -67.4 -4.3 30.5 -16.2 18.5 233 294 A N T < + 0 0 93 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.130 67.8 117.9-107.4 19.0 34.1 -15.1 19.5 234 295 A F < 0 0 26 -3,-1.8 -1,-0.1 1,-0.2 -2,-0.1 0.298 360.0 360.0 -69.8 9.3 35.9 -17.4 17.0 235 296 A N 0 0 112 -3,-0.1 -1,-0.2 357,-0.0 -2,-0.1 0.493 360.0 360.0-123.1 360.0 37.4 -14.5 15.0 236 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 237 304 A K 0 0 137 0, 0.0 2,-0.5 0, 0.0 34,-0.2 0.000 360.0 360.0 360.0 -59.8 48.7 -4.3 16.9 238 305 A N - 0 0 27 32,-0.6 2,-1.6 34,-0.2 34,-0.1 -0.501 360.0-152.4 -68.7 112.7 51.3 -2.5 19.0 239 306 A S + 0 0 115 -2,-0.5 -1,-0.1 2,-0.0 2,-0.1 -0.477 29.1 166.2 -87.4 61.9 52.8 -4.9 21.5 240 307 A I - 0 0 32 -2,-1.6 29,-0.0 29,-0.2 30,-0.0 -0.407 48.9 -80.5 -66.5 160.4 53.6 -2.4 24.2 241 308 A H > - 0 0 120 -2,-0.1 3,-0.7 1,-0.1 4,-0.2 -0.431 24.2-140.5 -85.6 138.1 54.4 -4.1 27.4 242 309 A P G > S+ 0 0 106 0, 0.0 3,-3.0 0, 0.0 7,-0.1 0.973 99.8 58.1 -49.5 -69.8 51.9 -5.6 29.9 243 310 A N G > S+ 0 0 104 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.618 89.5 73.5 -35.8 -32.4 53.8 -4.5 33.1 244 311 A D G < S+ 0 0 55 -3,-0.7 -1,-0.3 1,-0.3 4,-0.1 0.614 103.0 41.8 -61.1 -13.9 53.6 -0.9 32.0 245 312 A F G <> S+ 0 0 3 -3,-3.0 4,-3.3 -4,-0.2 5,-0.3 -0.106 74.9 135.2-124.0 32.9 49.9 -0.9 32.9 246 313 A Q H <> S+ 0 0 129 -3,-1.7 4,-1.1 2,-0.2 -2,-0.1 0.938 79.9 33.0 -43.0 -68.4 50.3 -2.9 36.1 247 314 A I H >> S+ 0 0 70 1,-0.2 3,-1.2 2,-0.2 4,-1.1 0.954 119.2 50.9 -57.7 -61.6 48.0 -0.7 38.2 248 315 A Y H 34 S+ 0 0 8 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.832 115.3 43.6 -41.7 -47.0 45.6 0.3 35.3 249 316 A N H 3< S+ 0 0 79 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.632 104.7 64.1 -82.3 -15.8 45.1 -3.4 34.3 250 317 A S H << S+ 0 0 43 -3,-1.2 -1,-0.2 -4,-1.1 -2,-0.2 0.747 79.9 99.3 -76.4 -28.3 44.7 -4.6 37.9 251 318 A L < - 0 0 7 -4,-1.1 -53,-0.2 -3,-0.3 3,-0.2 -0.372 54.3-164.3 -62.4 135.8 41.5 -2.6 38.6 252 319 A K S S+ 0 0 124 -55,-3.6 2,-0.6 1,-0.2 -54,-0.2 0.885 77.8 34.1 -85.4 -44.3 38.3 -4.6 38.3 253 320 A Y E +h 198 0A 23 -56,-1.3 -54,-2.4 1,-0.0 2,-0.7 -0.932 56.9 177.9-120.5 111.6 35.8 -1.7 38.0 254 321 A K E +h 199 0A 54 -2,-0.6 -54,-0.1 -56,-0.2 -56,-0.1 -0.679 29.4 139.3-107.1 70.9 36.8 1.5 36.2 255 322 A Y + 0 0 92 -56,-2.5 -53,-0.2 -2,-0.7 -55,-0.2 0.471 30.2 113.2 -98.6 -6.6 33.5 3.5 36.6 256 323 A H S > S- 0 0 2 -57,-0.6 3,-2.4 -55,-0.2 4,-0.3 -0.489 76.2-124.3 -63.4 133.2 35.0 6.9 37.4 257 324 A P T >> S+ 0 0 5 0, 0.0 3,-2.4 0, 0.0 4,-0.6 0.786 106.7 71.6 -55.7 -30.4 34.3 9.2 34.4 258 325 A E H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 3,-0.4 0.767 84.8 70.8 -53.9 -27.3 38.0 10.0 34.0 259 326 A Y H <> S+ 0 0 4 -3,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.713 85.1 66.7 -65.5 -16.9 38.3 6.4 32.7 260 327 A Q H <> S+ 0 0 60 -3,-2.4 4,-0.7 -4,-0.3 -1,-0.2 0.939 109.1 37.9 -67.3 -42.8 36.4 7.6 29.6 261 328 A Y H >X S+ 0 0 0 -4,-0.6 3,-1.7 -3,-0.4 4,-1.4 0.997 119.2 46.7 -63.8 -60.9 39.4 9.7 28.8 262 329 A L H 3X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.3 -2,-0.2 0.794 107.1 55.8 -58.4 -38.4 42.0 7.1 30.0 263 330 A N H 3X S+ 0 0 61 -4,-2.5 4,-2.1 2,-0.2 -1,-0.3 0.775 104.4 55.8 -63.9 -27.4 40.5 4.1 28.2 264 331 A I H > - N 0 475D 54 -2,-0.4 3,-2.0 181,-0.2 4,-1.5 -0.728 16.8-175.9 -92.5 94.4 27.3 14.5 33.8 295 362 A L T 34 S+ 0 0 9 179,-2.1 -1,-0.2 -2,-1.1 180,-0.1 0.677 79.3 67.3 -67.9 -13.2 27.8 18.2 34.7 296 363 A S T 34 S+ 0 0 61 178,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.634 109.6 37.1 -77.6 -11.0 25.0 18.0 37.3 297 364 A Q T <4 S- 0 0 52 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0.901 110.5 55.3 -70.1 -34.8 36.0 34.9 27.4 318 385 A W H <>S+ 0 0 0 -4,-2.5 5,-1.9 -5,-0.3 4,-0.3 0.917 106.4 50.2 -64.9 -42.2 38.1 36.1 24.5 319 386 A F H ><5S+ 0 0 4 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.953 109.8 52.2 -54.7 -49.7 36.0 33.9 22.1 320 387 A I H 3<5S+ 0 0 4 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.864 103.8 54.2 -65.4 -37.6 32.8 35.4 23.6 321 388 A R T 3<5S- 0 0 109 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.552 115.3-119.8 -69.0 -5.0 33.9 39.0 23.0 322 389 A G T < 5 + 0 0 10 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.2 0.678 56.6 163.1 76.4 18.2 34.4 38.0 19.4 323 390 A E < + 0 0 42 -5,-1.9 41,-0.4 -6,-0.2 42,-0.2 -0.359 31.3 176.0 -76.5 151.3 38.1 38.8 19.6 324 391 A T + 0 0 3 53,-0.4 35,-1.6 40,-0.1 2,-0.8 0.130 48.7 113.2-131.6 15.3 40.8 37.7 17.1 325 392 A N B >> -R 358 0E 22 52,-0.2 3,-1.1 33,-0.2 4,-0.7 -0.817 48.0-165.3-100.3 105.1 43.7 39.6 18.6 326 393 A G H 3> S+ 0 0 5 31,-2.5 4,-2.3 -2,-0.8 5,-0.2 0.682 83.3 71.3 -59.0 -20.5 46.3 37.4 20.2 327 394 A N H 3> S+ 0 0 44 30,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.859 88.7 61.4 -69.7 -36.5 47.8 40.3 22.0 328 395 A T H <> S+ 0 0 32 -3,-1.1 4,-0.5 2,-0.2 -1,-0.2 0.956 109.2 42.1 -51.2 -54.9 44.9 40.5 24.4 329 396 A L H ><>S+ 0 0 2 -4,-0.7 3,-1.8 1,-0.2 5,-1.7 0.942 112.0 52.6 -59.7 -51.6 45.7 37.0 25.6 330 397 A L H ><5S+ 0 0 36 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.835 102.1 61.2 -54.4 -33.5 49.5 37.4 25.8 331 398 A N H 3<5S+ 0 0 139 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.699 103.7 49.6 -70.7 -15.7 49.0 40.6 27.9 332 399 A K T <<5S- 0 0 80 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.058 124.5-108.4-100.5 18.8 47.3 38.3 30.5 333 400 A N T < 5S+ 0 0 108 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.827 75.4 138.2 52.3 38.5 50.3 35.9 30.3 334 401 A V < + 0 0 6 -5,-1.7 3,-0.3 -6,-0.1 -1,-0.2 -0.957 27.0 179.0-115.3 116.4 48.2 33.2 28.4 335 402 A R >> + 0 0 149 -2,-0.5 3,-1.6 1,-0.2 4,-0.5 0.175 41.0 118.4-109.3 14.1 50.2 31.7 25.6 336 403 A I T 34 S+ 0 0 78 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.797 91.2 30.5 -52.1 -33.7 47.8 29.1 24.1 337 404 A W T 34 S+ 0 0 21 -3,-0.3 4,-0.5 -11,-0.1 3,-0.4 0.270 88.6 103.4-111.0 7.7 47.9 31.0 20.7 338 405 A E T X4 S+ 0 0 70 -3,-1.6 3,-1.7 1,-0.2 4,-0.3 0.943 80.8 50.1 -56.1 -50.4 51.4 32.4 20.8 339 406 A A G >< S+ 0 0 68 -4,-0.5 3,-0.7 1,-0.3 -1,-0.2 0.756 107.8 52.7 -62.7 -29.0 52.8 29.9 18.3 340 407 A N G 3 S+ 0 0 31 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.469 106.7 57.1 -88.1 -2.3 50.1 30.3 15.7 341 408 A G G < S+ 0 0 0 -3,-1.7 16,-2.7 -4,-0.5 17,-0.3 0.398 78.3 116.7-109.2 4.6 50.6 34.1 15.7 342 409 A T S <> S- 0 0 48 -3,-0.7 4,-2.6 -4,-0.3 5,-0.2 -0.250 75.3-115.7 -72.8 157.9 54.3 34.4 14.8 343 410 A R H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.920 118.7 48.1 -52.1 -44.3 55.6 36.1 11.7 344 411 A E H > S+ 0 0 124 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.866 110.3 49.0 -66.2 -42.5 57.0 32.6 10.6 345 412 A F H > S+ 0 0 58 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.920 113.9 45.8 -69.0 -42.5 53.8 30.7 11.3 346 413 A L H <>S+ 0 0 0 -4,-2.6 5,-3.1 2,-0.2 -2,-0.2 0.897 112.9 50.1 -65.1 -42.7 51.7 33.2 9.4 347 414 A D H ><5S+ 0 0 43 -4,-2.3 3,-3.0 -5,-0.2 5,-0.2 0.969 109.6 50.7 -59.1 -52.7 54.2 33.3 6.4 348 415 A N H 3<5S+ 0 0 133 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 108.3 53.8 -55.4 -27.4 54.1 29.5 6.3 349 416 A R T 3<5S- 0 0 50 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.375 119.8-115.4 -83.2 3.2 50.3 29.9 6.2 350 417 A K T < 5S+ 0 0 150 -3,-3.0 2,-0.6 1,-0.1 -3,-0.2 0.707 78.8 130.4 68.7 23.0 50.7 32.2 3.2 351 418 A L > < + 0 0 21 -5,-3.1 3,-2.0 1,-0.2 -4,-0.1 -0.453 18.0 152.9-101.8 55.0 49.3 35.1 5.3 352 419 A F T 3 S+ 0 0 122 -2,-0.6 -1,-0.2 1,-0.3 -5,-0.1 0.679 70.5 52.4 -57.7 -21.0 52.1 37.4 4.3 353 420 A H T 3 S+ 0 0 193 -3,-0.2 2,-0.5 -7,-0.1 -1,-0.3 0.222 85.7 105.2-104.1 18.5 49.8 40.4 4.8 354 421 A R S < S- 0 0 27 -3,-2.0 2,-0.1 -11,-0.1 3,-0.1 -0.837 72.1-122.3-104.3 129.1 48.7 39.5 8.3 355 422 A E > - 0 0 95 -2,-0.5 3,-2.5 1,-0.1 22,-0.1 -0.467 45.0 -86.1 -64.1 139.8 50.1 41.4 11.3 356 423 A V T 3 S+ 0 0 58 1,-0.3 -14,-0.2 -2,-0.1 -1,-0.1 -0.174 117.5 16.0 -47.7 134.8 51.9 39.2 13.9 357 424 A N T 3 S+ 0 0 17 -16,-2.7 -31,-2.5 1,-0.2 2,-1.1 0.549 87.9 126.2 68.4 8.6 49.3 37.8 16.4 358 425 A D B < -R 325 0E 4 -3,-2.5 -1,-0.2 -17,-0.3 -33,-0.2 -0.835 40.2-173.6 -94.6 99.0 46.3 38.7 14.1 359 426 A L - 0 0 0 -35,-1.6 60,-3.4 -2,-1.1 61,-0.2 0.671 26.2-137.6 -70.1 -21.3 44.9 35.2 14.1 360 427 A G - 0 0 0 -36,-0.5 2,-2.8 58,-0.2 5,-0.2 -0.478 56.5 -15.0 93.6-165.5 42.2 35.9 11.4 361 428 A P S S+ 0 0 0 0, 0.0 50,-0.2 0, 0.0 57,-0.2 -0.203 90.8 143.6 -74.5 57.1 38.5 34.9 11.2 362 429 A I >> - 0 0 1 -2,-2.8 4,-1.8 55,-0.1 3,-1.5 -0.051 64.8 -50.2 -84.3-175.3 38.8 32.2 13.9 363 430 A Y H 3> S+ 0 0 13 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.707 131.4 48.1 -20.2 -71.1 36.4 31.2 16.7 364 431 A G H 3> S+ 0 0 0 -41,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.866 115.6 46.4 -46.8 -45.6 35.4 34.5 18.2 365 432 A F H <> S+ 0 0 0 -3,-1.5 4,-3.1 -5,-0.2 -1,-0.2 0.899 113.7 47.0 -65.4 -47.0 34.8 36.0 14.8 366 433 A Q H X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 22,-0.4 0.900 112.3 51.6 -61.8 -40.4 32.8 33.0 13.6 367 434 A W H < S+ 0 0 5 -4,-3.2 22,-1.9 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