==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-JUL-04 1U5A . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR R.CONNERS,A.CAMERON,J.READ,F.SCHAMBACH,R.B.SESSIONS,R.L.BRAD . 306 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14081.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 10.5 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 21 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 0 1 1 1 0 0 1 0 3 0 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 18 A A 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.0 48.5 38.9 21.4 2 19 A P + 0 0 140 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.095 360.0 131.2 -83.8 23.7 44.8 39.8 21.2 3 20 A K S S- 0 0 63 1,-0.1 25,-0.1 25,-0.0 24,-0.1 -0.503 71.6 -99.4 -57.5 145.2 44.4 38.2 17.8 4 21 A A - 0 0 18 23,-0.4 25,-2.1 -2,-0.1 2,-0.5 -0.370 30.3-138.3 -64.1 146.5 41.4 36.0 18.0 5 22 A K E -a 29 0A 54 66,-0.3 68,-2.5 23,-0.2 69,-1.8 -0.973 18.8-169.0-108.6 127.4 42.0 32.3 18.5 6 23 A I E -ab 30 74A 1 23,-2.5 25,-2.3 -2,-0.5 2,-0.5 -0.973 2.9-162.5-122.9 114.0 39.7 30.0 16.4 7 24 A V E -ab 31 75A 1 67,-2.7 69,-2.4 -2,-0.5 2,-0.8 -0.897 5.8-155.8-104.2 124.3 39.6 26.3 17.2 8 25 A L E -ab 32 76A 0 23,-3.2 25,-2.6 -2,-0.5 2,-1.3 -0.893 6.1-156.5 -98.9 102.6 38.3 24.0 14.5 9 26 A V E S+ab 33 77A 2 67,-2.3 69,-2.6 -2,-0.8 70,-1.7 -0.729 78.3 34.4 -84.0 94.8 37.1 20.9 16.4 10 27 A G - 0 0 3 23,-2.6 24,-0.2 -2,-1.3 23,-0.2 0.196 66.3-156.8 117.6 122.0 37.3 18.6 13.4 11 28 A S + 0 0 0 21,-0.1 23,-0.1 4,-0.1 32,-0.1 -0.197 51.0 118.2-121.2 37.2 40.0 18.9 10.7 12 29 A G S > S- 0 0 32 3,-0.0 4,-2.3 4,-0.0 5,-0.2 0.181 87.9 -57.7 -83.0-151.0 38.4 17.1 7.8 13 30 A M H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.905 138.0 47.2 -64.3 -43.0 37.5 18.7 4.4 14 31 A I H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.951 112.8 51.8 -64.7 -43.8 35.3 21.5 5.8 15 32 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.882 107.5 51.9 -57.2 -42.1 38.0 22.2 8.5 16 33 A G H X S+ 0 0 15 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.921 111.1 45.8 -66.8 -37.9 40.7 22.5 5.8 17 35 A V H X S+ 0 0 26 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.917 111.6 53.9 -71.2 -36.0 38.7 25.0 3.7 18 36 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.928 108.0 49.4 -60.7 -44.9 37.9 27.0 6.9 19 37 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.923 110.4 50.9 -60.3 -45.5 41.5 27.3 7.8 20 38 A T H X S+ 0 0 53 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.926 112.0 46.6 -54.4 -48.9 42.4 28.4 4.3 21 39 A L H X S+ 0 0 44 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.863 107.6 55.8 -67.3 -34.7 39.8 31.1 4.4 22 40 A I H <>S+ 0 0 1 -4,-2.4 5,-2.3 2,-0.2 4,-0.4 0.925 111.5 44.5 -64.0 -42.3 40.7 32.4 7.8 23 41 A V H ><5S+ 0 0 0 -4,-2.0 3,-1.2 2,-0.2 -2,-0.2 0.934 111.1 53.3 -65.8 -45.8 44.3 32.9 6.6 24 42 A Q H 3<5S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.869 118.4 37.3 -54.4 -40.7 43.1 34.6 3.4 25 43 A K T 3<5S- 0 0 94 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.391 103.6-131.6 -93.6 0.1 41.0 36.9 5.5 26 44 A N T < 5 + 0 0 82 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.868 53.0 152.0 49.4 43.8 43.6 37.3 8.3 27 45 A L < - 0 0 18 -5,-2.3 -23,-0.4 1,-0.3 2,-0.3 0.737 56.7 -60.4 -81.9 -24.9 40.8 36.6 10.8 28 46 A G - 0 0 1 -6,-0.3 -1,-0.3 -25,-0.1 -23,-0.2 -0.917 66.7 -50.0 164.8 173.7 42.8 35.0 13.6 29 47 A D E -a 5 0A 31 -25,-2.1 -23,-2.5 -2,-0.3 2,-0.4 -0.392 57.0-144.1 -68.3 145.3 45.1 32.3 14.7 30 49 A V E -ac 6 60A 1 29,-3.0 31,-2.3 -25,-0.2 2,-0.5 -0.967 16.1-165.3-120.3 134.3 43.8 28.7 13.9 31 50 A V E -ac 7 61A 10 -25,-2.3 -23,-3.2 -2,-0.4 2,-0.9 -0.986 9.3-157.2-111.4 119.4 43.9 25.4 15.6 32 51 A L E -ac 8 62A 0 29,-3.1 31,-1.8 -2,-0.5 2,-0.4 -0.863 22.4-173.9 -89.2 102.3 43.0 22.4 13.5 33 52 A F E +ac 9 63A 9 -25,-2.6 -23,-2.6 -2,-0.9 2,-0.3 -0.822 11.6 155.7-100.7 135.5 42.0 19.9 16.2 34 53 A D - 0 0 27 29,-2.3 4,-0.1 -2,-0.4 -25,-0.0 -0.990 50.4-127.7-152.5 158.8 41.2 16.3 15.5 35 54 A I S S+ 0 0 103 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.764 87.4 95.4 -66.9 -29.5 41.1 12.9 17.1 36 55 A V S S- 0 0 74 1,-0.1 -2,-0.1 -3,-0.1 2,-0.1 -0.492 85.3-115.8 -72.0 126.2 43.2 11.6 14.2 37 56 A K S S- 0 0 144 -2,-0.3 2,-2.1 1,-0.2 -1,-0.1 -0.376 80.7 -15.5 -64.7 135.5 46.9 11.6 15.1 38 57 A N S >> S+ 0 0 114 1,-0.2 4,-1.6 -4,-0.1 3,-0.5 -0.098 104.1 98.8 70.6 -38.2 49.2 13.9 13.1 39 58 A M H 3> S+ 0 0 61 -2,-2.1 4,-2.3 1,-0.2 5,-0.3 0.869 83.0 51.8 -47.1 -48.7 46.9 14.7 10.1 40 59 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.869 107.0 54.8 -60.4 -35.9 45.8 18.1 11.5 41 60 A H H <> S+ 0 0 81 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.868 109.2 48.2 -59.0 -39.7 49.5 19.0 12.0 42 61 A G H X S+ 0 0 43 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.921 113.8 44.2 -68.8 -45.3 50.1 18.3 8.3 43 62 A K H X S+ 0 0 58 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.893 113.3 53.0 -64.4 -39.6 47.2 20.3 7.0 44 63 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.920 109.1 48.7 -61.2 -42.8 48.1 23.1 9.5 45 64 A L H X S+ 0 0 104 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.966 112.5 47.4 -63.7 -50.6 51.7 23.2 8.1 46 65 A D H >< S+ 0 0 114 -4,-2.3 3,-0.5 1,-0.2 4,-0.5 0.924 115.0 46.8 -52.8 -49.8 50.5 23.3 4.5 47 66 A T H >< S+ 0 0 11 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.869 102.1 64.5 -65.1 -37.4 48.0 26.1 5.3 48 67 A S H >< S+ 0 0 33 -4,-2.7 3,-1.8 1,-0.3 4,-0.2 0.829 92.7 62.5 -57.7 -35.3 50.5 28.1 7.3 49 68 A H T XX S+ 0 0 100 -4,-1.2 3,-1.8 -3,-0.5 4,-0.6 0.782 87.3 72.8 -65.4 -25.0 52.7 28.8 4.3 50 69 A T H <> S+ 0 0 31 -3,-1.5 4,-2.1 -4,-0.5 -1,-0.3 0.602 73.9 82.9 -69.0 -10.4 49.8 30.6 2.6 51 70 A N H <>>S+ 0 0 23 -3,-1.8 5,-1.9 -4,-0.2 4,-0.8 0.838 89.9 54.2 -55.9 -31.8 50.4 33.5 5.0 52 71 A V H X45S+ 0 0 119 -3,-1.8 3,-0.7 -4,-0.2 -1,-0.2 0.958 110.8 41.7 -69.7 -52.0 53.1 34.6 2.6 53 72 A M H 3<5S+ 0 0 129 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.815 119.5 46.1 -61.3 -29.5 50.8 34.6 -0.5 54 73AA A H 3<5S- 0 0 18 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.473 102.7-125.1 -98.7 -6.2 47.9 36.3 1.5 55 73BA Y T <<5 + 0 0 220 -4,-0.8 2,-0.2 -3,-0.7 -3,-0.2 0.855 68.9 133.6 61.9 33.7 50.0 39.0 3.2 56 74 A S < - 0 0 21 -5,-1.9 -1,-0.2 -6,-0.2 -33,-0.1 -0.571 54.4-150.5-107.7 171.8 48.5 37.6 6.5 57 75 A N + 0 0 115 -2,-0.2 2,-0.5 -34,-0.1 -28,-0.1 -0.450 41.6 138.6-141.5 68.7 50.0 36.7 9.9 58 76 A C - 0 0 1 -10,-0.1 -29,-0.1 -30,-0.1 -7,-0.1 -0.956 47.3-132.6-110.0 125.1 47.8 33.9 11.3 59 77 A K - 0 0 134 -2,-0.5 -29,-3.0 -8,-0.0 2,-0.4 -0.473 19.7-164.7 -66.4 140.9 49.4 31.0 13.1 60 78 A V E +c 30 0A 15 -31,-0.2 2,-0.3 -2,-0.1 -29,-0.2 -0.952 16.6 167.8-130.7 115.4 48.0 27.7 12.0 61 79 A S E -c 31 0A 55 -31,-2.3 -29,-3.1 -2,-0.4 2,-0.2 -0.890 28.4-130.1-128.4 151.5 48.7 24.8 14.2 62 80 A G E -c 32 0A 9 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.598 25.3-168.4 -92.0 161.4 47.5 21.2 14.5 63 81 A S E +c 33 0A 1 -31,-1.8 -29,-2.3 -2,-0.2 3,-0.0 -0.959 32.6 176.0-156.3 140.2 46.2 19.6 17.8 64 83 A N S S+ 0 0 40 -2,-0.3 2,-0.5 -31,-0.2 -31,-0.1 0.012 70.6 87.9-121.0 25.1 45.3 16.2 19.3 65 84 A T > - 0 0 70 1,-0.1 3,-1.6 0, 0.0 4,-0.1 -0.980 64.8-151.9-128.2 121.9 44.7 17.7 22.7 66 85 A Y G > S+ 0 0 31 -2,-0.5 3,-2.1 1,-0.3 4,-0.1 0.772 91.4 74.7 -59.9 -27.7 41.4 19.1 24.0 67 86 A D G > S+ 0 0 85 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.734 76.5 78.7 -65.9 -14.0 43.2 21.5 26.3 68 87 A D G < S+ 0 0 67 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.542 72.9 80.9 -68.5 -5.2 44.2 23.6 23.3 69 88 A L G X + 0 0 4 -3,-2.1 3,-2.2 -4,-0.1 -1,-0.3 0.648 66.7 118.3 -63.9 -19.9 40.6 24.9 23.5 70 89 A A T < S+ 0 0 44 -3,-2.0 37,-0.2 1,-0.3 36,-0.1 -0.263 81.7 8.9 -55.6 130.9 42.0 27.2 26.2 71 90 A G T 3 S+ 0 0 57 35,-1.1 -66,-0.3 1,-0.2 -1,-0.3 0.551 87.9 158.2 77.7 5.4 41.6 30.8 25.3 72 91 A A < - 0 0 6 -3,-2.2 -1,-0.2 1,-0.2 -66,-0.2 -0.460 26.6-172.8 -66.1 133.7 39.5 30.1 22.2 73 92 A D S S+ 0 0 71 -68,-2.5 38,-2.5 1,-0.3 2,-0.4 0.737 78.6 24.2 -88.2 -35.3 37.4 33.1 21.1 74 93 A V E -bd 6 111A 0 -69,-1.8 -67,-2.7 36,-0.2 2,-0.4 -0.999 65.4-168.5-135.6 136.0 35.5 31.0 18.5 75 94 A V E -bd 7 112A 0 36,-2.4 38,-2.9 -2,-0.4 2,-0.5 -0.997 3.3-167.9-126.9 125.2 35.0 27.2 18.3 76 95 A I E -bd 8 113A 0 -69,-2.4 -67,-2.3 -2,-0.4 2,-0.7 -0.971 9.0-155.7-120.1 116.6 33.7 25.5 15.2 77 96 A V E +bd 9 114A 0 36,-2.6 38,-2.6 -2,-0.5 39,-1.3 -0.841 35.3 144.4-104.1 109.0 32.5 21.9 15.5 78 97 A T + 0 0 28 -69,-2.6 -68,-0.2 -2,-0.7 39,-0.2 0.465 38.7 119.2-110.4 -9.3 32.5 19.6 12.5 79 98 A A + 0 0 27 -70,-1.7 2,-0.2 37,-0.1 37,-0.1 -0.233 37.8 94.3 -60.3 145.5 33.5 16.4 14.2 80 99 A G S S- 0 0 29 36,-0.1 2,-0.2 15,-0.1 12,-0.1 -0.619 72.0 -72.8 149.0 155.9 31.1 13.5 14.1 81 100 A F + 0 0 103 7,-0.2 36,-0.1 -2,-0.2 11,-0.1 -0.502 31.6 174.1 -69.6 138.1 30.2 10.3 12.3 82 101 A T 0 0 105 -2,-0.2 -1,-0.1 1,-0.2 6,-0.1 0.366 360.0 360.0-119.6 -6.1 28.5 10.6 8.9 83 102 A K 0 0 195 5,-0.1 -1,-0.2 2,-0.0 0, 0.0 -0.999 360.0 360.0-139.4 360.0 28.5 6.8 8.1 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 85 109 A R > 0 0 197 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 132.7 20.8 7.8 9.4 86 110 A D G > + 0 0 51 1,-0.3 3,-1.3 2,-0.2 0, 0.0 0.700 360.0 72.6 -58.5 -25.2 19.2 7.7 12.8 87 111 A D G 3 S+ 0 0 108 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.740 91.6 57.3 -67.1 -24.8 21.7 5.2 14.2 88 112 A L G <> S+ 0 0 27 -3,-1.5 4,-2.8 1,-0.2 -1,-0.3 0.606 85.0 86.7 -77.5 -15.4 24.5 7.8 14.3 89 113 A L H <> S+ 0 0 4 -3,-1.3 4,-2.2 -4,-0.3 -1,-0.2 0.921 90.3 42.0 -56.7 -51.5 22.4 10.1 16.5 90 114 A P H > S+ 0 0 50 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.842 114.9 52.2 -66.8 -32.6 23.4 8.6 19.9 91 115 A L H > S+ 0 0 77 -4,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.911 111.7 45.7 -64.9 -46.9 27.1 8.3 18.8 92 116 A N H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.860 107.2 58.9 -68.2 -31.8 27.2 12.0 17.7 93 117 A N H X S+ 0 0 14 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.940 104.5 51.4 -55.5 -45.5 25.4 12.9 21.0 94 118 A K H X S+ 0 0 146 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.869 109.1 50.3 -63.2 -36.8 28.4 11.3 22.9 95 119 A I H X S+ 0 0 34 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.928 110.4 49.0 -65.9 -43.6 30.8 13.4 20.8 96 120 A M H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.893 110.5 52.3 -62.0 -40.1 28.9 16.6 21.6 97 121 A I H X S+ 0 0 64 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.932 110.6 46.5 -59.2 -48.0 28.9 15.7 25.3 98 122 A E H X S+ 0 0 91 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.937 115.9 45.1 -62.6 -45.5 32.7 15.2 25.2 99 123 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.927 110.4 54.8 -66.3 -42.5 33.3 18.5 23.4 100 124 A G H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.883 105.1 52.8 -58.4 -42.9 30.9 20.3 25.6 101 125 A G H X S+ 0 0 38 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.879 110.5 47.7 -59.5 -40.8 32.7 19.3 28.7 102 126 A H H X S+ 0 0 52 -4,-1.6 4,-3.2 2,-0.2 5,-0.4 0.883 111.2 50.6 -70.6 -36.2 36.0 20.6 27.3 103 127 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.942 109.9 50.2 -64.3 -44.2 34.4 23.9 26.2 104 128 A K H < S+ 0 0 117 -4,-2.6 -1,-0.2 25,-0.2 -2,-0.2 0.902 118.5 39.6 -59.7 -41.3 32.9 24.4 29.7 105 129 A K H < S+ 0 0 156 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.949 130.0 23.4 -74.0 -48.6 36.3 23.7 31.3 106 130 A N H < S+ 0 0 32 -4,-3.2 -35,-1.1 1,-0.2 -3,-0.2 0.749 134.3 12.7 -97.4 -33.4 38.6 25.5 28.8 107 131 A C >< + 0 0 5 -4,-2.2 3,-2.0 -5,-0.4 -1,-0.2 -0.327 58.5 157.6-148.4 59.8 36.7 28.2 27.0 108 132AA P T 3 S+ 0 0 58 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.675 79.8 53.7 -63.4 -16.5 33.3 29.0 28.5 109 132BA N T 3 S+ 0 0 129 -37,-0.1 -5,-0.1 -6,-0.1 -6,-0.0 0.372 84.0 118.9 -99.8 7.8 33.3 32.4 27.0 110 133 A A < - 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0 0 49 -2,-0.3 4,-1.7 -3,-0.2 5,-0.1 -0.633 21.9-119.5 -98.8 158.0 8.2 31.7 -14.1 201 221 A D H > S+ 0 0 76 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.897 116.1 53.4 -54.8 -41.9 6.6 30.0 -11.1 202 222 A A H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 106.4 50.7 -66.2 -38.2 7.5 26.6 -12.6 203 223 A E H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.830 110.3 51.6 -58.1 -46.0 11.1 27.5 -13.0 204 225 A L H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.917 106.0 53.7 -64.3 -34.2 11.1 28.6 -9.3 205 226 A E H X S+ 0 0 128 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.899 109.7 48.0 -62.0 -40.4 9.5 25.3 -8.2 206 227 A A H X S+ 0 0 59 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.940 111.2 50.1 -63.5 -46.5 12.4 23.5 -10.0 207 228 A I H X S+ 0 0 22 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.886 109.7 52.2 -58.5 -40.2 15.0 25.8 -8.3 208 229 A F H X S+ 0 0 32 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.937 111.0 46.5 -63.6 -44.8 13.3 25.1 -4.9 209 230 A D H X S+ 0 0 96 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.920 111.9 50.6 -61.9 -40.9 13.5 21.4 -5.4 210 231 A R H < S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.894 109.3 52.6 -65.2 -36.3 17.1 21.7 -6.5 211 232 A T H >< S+ 0 0 1 -4,-2.2 3,-1.3 2,-0.2 4,-0.3 0.944 109.6 46.5 -62.6 -51.2 17.9 23.7 -3.4 212 233 A V H 3< S+ 0 0 37 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.913 120.2 41.1 -59.4 -40.0 16.5 21.2 -1.0 213 234 A N T 3X S+ 0 0 69 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.3 0.186 80.7 110.2 -95.9 16.2 18.3 18.4 -2.9 214 235 A T H <> S+ 0 0 2 -3,-1.3 4,-2.6 2,-0.2 5,-0.2 0.892 76.8 50.0 -62.7 -45.3 21.7 20.1 -3.5 215 236 A A H > S+ 0 0 45 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.940 114.7 46.9 -60.8 -42.4 23.8 18.1 -1.1 216 237 A L H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.902 109.6 53.4 -61.0 -45.1 22.4 14.9 -2.7 217 238 A E H X S+ 0 0 65 -4,-2.7 4,-0.9 -7,-0.2 -2,-0.2 0.913 111.4 46.3 -59.1 -42.7 23.0 16.3 -6.2 218 239 A I H ><>S+ 0 0 48 -4,-2.6 5,-1.7 2,-0.2 3,-0.5 0.920 112.9 48.6 -66.1 -44.5 26.6 17.0 -5.3 219 240 A V H ><5S+ 0 0 73 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.885 108.6 54.3 -61.1 -40.0 27.1 13.5 -3.7 220 241 A N H 3<5S+ 0 0 110 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.689 101.9 58.8 -72.1 -17.9 25.5 11.8 -6.7 221 242 A L T <<5S- 0 0 124 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.315 124.0-106.8 -86.7 9.2 28.0 13.7 -8.9 222 243 A H T < 5S+ 0 0 182 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.860 90.0 98.7 65.6 36.3 30.8 11.9 -6.9 223 244 A A < - 0 0 58 -5,-1.7 -1,-0.3 2,-0.0 -2,-0.1 -0.765 64.0-133.3-126.4-176.7 31.9 15.0 -5.0 224 245 A S - 0 0 66 -2,-0.2 2,-0.6 -3,-0.1 3,-0.3 -0.996 22.2-108.6-142.2 146.7 31.0 16.1 -1.5 225 246 A P + 0 0 37 0, 0.0 -211,-0.1 0, 0.0 -10,-0.0 -0.619 67.1 115.6 -76.3 112.9 29.9 19.5 -0.2 226 247 A Y > + 0 0 69 -2,-0.6 4,-1.9 -213,-0.1 5,-0.1 0.460 60.1 66.7-143.4 -20.8 32.4 21.2 1.8 227 248 A V H > S+ 0 0 92 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.966 108.1 40.5 -70.2 -51.0 33.6 24.4 0.1 228 249 A A H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.925 114.6 52.5 -65.5 -44.6 30.2 26.3 0.5 229 250 A P H > S+ 0 0 7 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.952 111.4 48.6 -50.2 -46.3 29.6 25.0 4.0 230 251 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.931 111.9 46.9 -61.9 -48.0 33.1 26.3 4.9 231 252 A A H X S+ 0 0 46 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.869 111.1 52.3 -62.6 -39.4 32.5 29.7 3.3 232 253 A A H X S+ 0 0 6 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.911 109.9 48.6 -62.5 -45.0 29.1 30.0 5.1 233 254 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 -2,-0.2 0.925 110.6 50.7 -61.5 -45.2 30.6 29.2 8.5 234 255 A I H X S+ 0 0 2 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.879 105.9 55.3 -64.7 -32.5 33.4 31.8 7.9 235 256 A E H X S+ 0 0 32 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.929 112.7 44.0 -63.6 -41.2 30.8 34.4 7.0 236 257 A M H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.941 114.8 47.2 -64.7 -50.7 29.1 33.7 10.3 237 258 A A H X S+ 0 0 1 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.902 111.9 51.3 -60.3 -41.0 32.4 33.6 12.3 238 259 A E H X S+ 0 0 22 -4,-3.2 4,-2.9 1,-0.2 6,-0.3 0.883 104.7 56.0 -64.6 -39.8 33.6 36.9 10.6 239 260 A S H <>S+ 0 0 0 -4,-1.8 5,-1.8 -5,-0.2 6,-0.7 0.896 112.9 43.3 -59.4 -40.9 30.3 38.7 11.5 240 261 A Y H ><5S+ 0 0 31 -4,-1.7 3,-1.2 3,-0.2 -2,-0.2 0.974 116.4 45.3 -65.0 -56.1 31.0 37.8 15.1 241 262 A L H 3<5S+ 0 0 49 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.838 121.5 36.6 -61.6 -37.0 34.7 38.6 15.1 242 263 A K T 3<5S- 0 0 107 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.273 104.6-123.8 -99.6 5.1 34.4 41.9 13.2 243 264 A D T < 5 + 0 0 66 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.898 55.5 154.3 51.3 48.0 31.1 43.0 14.9 244 265 A L < - 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