==== 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 10-MAR-99 1CET . COMPND 2 MOLECULE: PROTEIN (L-LACTATE DEHYDROGENASE); . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR J.A.READ,K.W.WILKINSON,R.TRANTER,R.B.SESSIONS,R.L.BRADY . 305 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) . 240 78.7 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 . 31 10.2 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 . 37 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 0 2 0 0 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 . 2 3 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 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.2 48.2 39.1 21.3 2 19 A P + 0 0 144 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.214 360.0 129.3 -75.1 12.1 44.5 40.3 21.0 3 20 A K - 0 0 67 1,-0.1 25,-0.1 25,-0.0 24,-0.1 -0.514 68.8-106.2 -66.0 131.9 44.2 38.3 18.0 4 21 A A - 0 0 18 23,-0.4 25,-2.1 -2,-0.3 2,-0.5 -0.239 26.8-140.0 -60.8 149.5 41.1 36.1 18.0 5 22 A K E -a 29 0A 49 66,-0.3 68,-2.4 23,-0.2 69,-1.8 -0.973 16.1-167.4-116.2 120.3 41.8 32.4 18.5 6 23 A I E -ab 30 74A 2 23,-3.2 25,-2.2 -2,-0.5 2,-0.6 -0.938 1.7-163.9-112.4 119.3 39.6 30.1 16.4 7 24 A V E -ab 31 75A 2 67,-2.6 69,-2.5 -2,-0.6 2,-0.9 -0.911 5.7-156.6-107.1 120.9 39.5 26.5 17.2 8 25 A L E -ab 32 76A 0 23,-3.3 25,-2.5 -2,-0.6 2,-1.5 -0.833 6.0-156.7 -97.2 100.5 38.2 24.1 14.6 9 26 A V E S+ab 33 77A 1 67,-1.7 69,-2.1 -2,-0.9 70,-1.7 -0.640 76.8 36.0 -80.7 91.0 37.0 21.0 16.4 10 27 A G - 0 0 3 23,-2.7 24,-0.2 -2,-1.5 23,-0.2 0.084 67.1-153.2 128.0 116.9 37.2 18.6 13.5 11 28 A S + 0 0 0 21,-0.1 23,-0.1 4,-0.1 32,-0.1 -0.208 53.2 117.7-111.1 43.2 39.9 18.8 10.8 12 29 A G S > S- 0 0 31 4,-0.0 4,-1.9 3,-0.0 67,-0.1 0.255 85.5 -59.1 -84.7-148.1 38.1 17.2 7.9 13 30 A M H > S+ 0 0 101 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.925 136.4 44.6 -66.0 -48.2 37.2 18.7 4.5 14 31 A I H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 112.3 55.1 -64.3 -39.8 35.0 21.6 5.8 15 32 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 104.6 53.7 -59.3 -40.7 37.7 22.3 8.5 16 33 A G H X S+ 0 0 16 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.910 109.9 45.0 -61.7 -45.1 40.4 22.6 5.8 17 35 A V H X S+ 0 0 28 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.882 111.0 54.7 -68.0 -37.4 38.6 25.2 3.8 18 36 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.940 109.1 47.6 -60.7 -45.1 37.7 27.1 7.0 19 37 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.945 113.2 48.7 -60.2 -47.7 41.4 27.3 7.9 20 38 A T H X S+ 0 0 55 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.932 112.9 46.8 -57.7 -48.3 42.3 28.4 4.4 21 39 A L H X S+ 0 0 43 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.840 107.4 57.4 -66.1 -33.5 39.6 31.1 4.3 22 40 A I H <>S+ 0 0 1 -4,-2.4 5,-2.4 -5,-0.2 4,-0.5 0.935 110.0 43.5 -63.8 -44.6 40.6 32.4 7.8 23 41 A V H ><5S+ 0 0 0 -4,-2.0 3,-1.0 2,-0.2 -2,-0.2 0.920 110.3 56.4 -65.5 -42.8 44.1 33.0 6.7 24 42 A Q H 3<5S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.896 117.6 35.0 -54.9 -41.0 42.9 34.6 3.4 25 43 A K T 3<5S- 0 0 92 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.416 104.8-129.8 -94.6 1.1 40.9 37.0 5.5 26 44 A N T < 5 + 0 0 81 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.881 51.8 156.5 51.0 41.8 43.4 37.3 8.3 27 45 A L < - 0 0 18 -5,-2.4 -23,-0.4 1,-0.2 2,-0.3 0.801 55.3 -71.9 -68.8 -32.8 40.6 36.6 10.7 28 46 A G - 0 0 0 -6,-0.3 -1,-0.2 -25,-0.1 -23,-0.2 -0.933 67.1 -36.9 160.3 178.9 42.7 35.2 13.5 29 47 A D E -a 5 0A 30 -25,-2.1 -23,-3.2 -2,-0.3 2,-0.4 -0.408 57.8-147.5 -66.6 142.2 44.9 32.4 14.8 30 48 A V E -ac 6 60A 1 29,-3.6 31,-2.5 -25,-0.2 2,-0.5 -0.924 15.9-168.2-120.3 138.8 43.7 28.9 13.8 31 49 A V E -ac 7 61A 10 -25,-2.2 -23,-3.3 -2,-0.4 2,-0.9 -0.990 10.1-156.3-123.1 121.5 43.8 25.6 15.6 32 51 A L E -ac 8 62A 0 29,-3.2 31,-1.6 -2,-0.5 2,-0.4 -0.873 23.5-174.3 -98.2 104.7 42.9 22.5 13.6 33 52 A F E +ac 9 63A 8 -25,-2.5 -23,-2.7 -2,-0.9 2,-0.3 -0.821 16.5 137.7-106.8 143.9 41.9 19.9 16.2 34 53 A D - 0 0 30 29,-1.8 4,-0.1 -2,-0.4 29,-0.0 -0.961 54.9-118.6-168.8 166.0 41.0 16.3 15.8 35 54 A I S S+ 0 0 129 -2,-0.3 2,-0.4 2,-0.1 29,-0.1 0.575 84.5 102.3 -90.9 -11.6 41.5 12.9 17.4 36 55 A V S S- 0 0 73 1,-0.1 2,-0.1 2,-0.0 -2,-0.1 -0.592 85.1-110.5 -72.0 128.1 43.2 11.6 14.3 37 56 A K S S- 0 0 166 -2,-0.4 2,-1.8 1,-0.2 -1,-0.1 -0.403 78.7 -21.1 -67.8 133.5 46.9 11.7 15.0 38 57 A N S >> S+ 0 0 94 1,-0.2 4,-2.4 -2,-0.1 3,-0.8 -0.023 103.6 102.5 64.6 -32.6 49.1 14.2 13.1 39 58 A M H 3> S+ 0 0 59 -2,-1.8 4,-2.5 1,-0.3 5,-0.3 0.899 82.2 51.1 -48.3 -47.3 46.8 14.8 10.2 40 59 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.856 109.6 51.8 -60.6 -32.6 45.7 18.2 11.7 41 60 A H H <> S+ 0 0 82 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.902 109.8 49.3 -68.4 -40.7 49.4 19.1 12.1 42 61 A G H X S+ 0 0 45 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.899 113.9 43.5 -65.0 -43.0 49.9 18.2 8.4 43 62 A K H X S+ 0 0 60 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.864 112.7 54.4 -69.6 -37.2 47.0 20.3 7.2 44 63 A A H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.896 108.0 48.9 -63.2 -42.1 48.0 23.1 9.5 45 64 A L H X S+ 0 0 107 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.948 112.0 48.3 -62.4 -50.3 51.6 23.2 8.1 46 65 A D H >< S+ 0 0 115 -4,-1.9 3,-0.6 1,-0.2 4,-0.4 0.948 116.4 43.3 -54.2 -53.3 50.3 23.2 4.5 47 66 A T H >< S+ 0 0 11 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.846 102.3 67.2 -64.4 -37.2 47.9 26.0 5.2 48 67 A S H >< S+ 0 0 31 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.826 92.0 61.8 -55.9 -33.5 50.3 28.1 7.4 49 68 A H T XX S+ 0 0 102 -4,-1.1 3,-1.5 -3,-0.6 4,-0.6 0.733 85.7 74.8 -66.6 -22.2 52.5 28.8 4.3 50 69 A T H <> S+ 0 0 30 -3,-1.6 4,-2.1 -4,-0.4 -1,-0.3 0.569 73.3 84.4 -68.5 -6.5 49.6 30.7 2.6 51 70 A N H <>>S+ 0 0 23 -3,-1.5 5,-2.4 -4,-0.2 4,-0.5 0.859 89.3 51.3 -62.1 -34.4 50.2 33.5 5.0 52 71 A V H X45S+ 0 0 118 -3,-1.5 3,-0.8 2,-0.2 -1,-0.2 0.940 110.8 45.3 -67.0 -50.5 52.9 34.7 2.6 53 72 A M H 3<5S+ 0 0 135 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.820 119.7 42.2 -63.9 -32.4 50.7 34.7 -0.5 54 73AA A H 3<5S- 0 0 18 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.396 104.2-123.6 -97.6 3.2 47.9 36.4 1.4 55 73BA Y T <<5 + 0 0 216 -3,-0.8 -3,-0.2 -4,-0.5 2,-0.2 0.884 67.3 136.9 55.7 40.1 49.9 39.0 3.3 56 74 A S < - 0 0 19 -5,-2.4 -1,-0.2 -6,-0.2 -33,-0.1 -0.576 52.0-151.4-110.7 176.2 48.4 37.6 6.5 57 75 A N + 0 0 123 -2,-0.2 2,-0.5 -34,-0.1 -28,-0.1 -0.435 42.3 137.4-145.8 63.8 49.8 36.8 9.9 58 76 A C - 0 0 2 -10,-0.1 2,-0.2 -30,-0.1 -29,-0.1 -0.957 48.8-131.6-116.6 126.2 47.7 34.0 11.4 59 77 A K - 0 0 148 -2,-0.5 -29,-3.6 -8,-0.0 2,-0.5 -0.528 21.1-165.6 -72.3 138.3 49.2 31.1 13.2 60 78 A V E +c 30 0A 15 -2,-0.2 2,-0.3 -31,-0.2 -29,-0.2 -0.959 17.7 163.7-129.9 112.0 47.8 27.8 11.9 61 79 A S E -c 31 0A 56 -31,-2.5 -29,-3.2 -2,-0.5 2,-0.2 -0.916 29.6-131.1-129.9 156.1 48.5 24.8 14.1 62 80 A G E -c 32 0A 8 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.491 23.9-170.3 -96.7 171.2 47.2 21.3 14.5 63 81 A S E -c 33 0A 2 -31,-1.6 -29,-1.8 -2,-0.2 3,-0.0 -0.954 29.9-177.8-165.0 143.8 46.2 19.7 17.8 64 83 A N S S+ 0 0 56 -2,-0.3 2,-0.4 -31,-0.2 -31,-0.1 0.121 71.5 81.0-125.0 12.7 45.3 16.3 19.3 65 84 A T S > S- 0 0 72 1,-0.1 3,-1.9 0, 0.0 4,-0.1 -0.984 70.5-142.0-128.8 128.4 44.6 17.6 22.8 66 85 A Y G > S+ 0 0 33 -2,-0.4 3,-2.0 1,-0.3 4,-0.2 0.694 92.4 83.6 -56.0 -20.3 41.4 19.2 24.0 67 86 A D G > S+ 0 0 104 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.819 73.8 72.3 -54.5 -33.3 43.6 21.5 26.1 68 87 A D G < S+ 0 0 56 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.450 75.8 81.7 -65.8 3.2 44.1 23.8 23.1 69 88 A L G X + 0 0 2 -3,-2.0 3,-1.9 2,-0.1 -1,-0.3 0.668 67.9 110.7 -79.2 -16.8 40.5 24.9 23.6 70 89 A A T < S+ 0 0 40 -3,-2.2 37,-0.2 1,-0.3 3,-0.1 -0.348 82.4 14.9 -62.4 132.7 41.8 27.3 26.2 71 90 A G T 3 S+ 0 0 56 35,-0.9 -1,-0.3 1,-0.3 -66,-0.3 0.464 88.6 157.0 83.3 1.4 41.6 30.9 25.2 72 91 A S < - 0 0 6 -3,-1.9 -1,-0.3 1,-0.2 -66,-0.2 -0.383 26.2-177.6 -65.0 132.9 39.3 30.2 22.4 73 92 A D S S+ 0 0 70 -68,-2.4 38,-2.8 1,-0.4 2,-0.4 0.771 78.1 21.3 -95.8 -35.5 37.2 33.1 21.2 74 93 A V E -bd 6 111A 0 -69,-1.8 -67,-2.6 36,-0.3 2,-0.5 -0.999 66.4-167.0-136.5 134.9 35.3 31.0 18.6 75 94 A V E -bd 7 112A 0 36,-2.7 38,-2.4 -2,-0.4 2,-0.6 -0.988 4.1-164.5-126.0 123.1 34.9 27.3 18.4 76 95 A I E -bd 8 113A 0 -69,-2.5 -67,-1.7 -2,-0.5 2,-0.7 -0.925 6.3-157.6-113.9 115.6 33.6 25.6 15.2 77 96 A V E +bd 9 114A 0 36,-2.4 38,-2.7 -2,-0.6 39,-1.1 -0.806 35.1 143.5 -98.4 114.4 32.4 22.0 15.5 78 97 A T + 0 0 31 -69,-2.1 -68,-0.2 -2,-0.7 39,-0.2 0.410 39.1 120.6-120.1 -9.4 32.3 19.8 12.4 79 98 A A + 0 0 23 -70,-1.7 2,-0.2 37,-0.1 37,-0.1 -0.170 35.5 109.3 -56.3 149.5 33.3 16.6 14.2 80 99 A G - 0 0 29 36,-0.1 2,-0.1 15,-0.0 12,-0.1 -0.518 66.9 -86.6 148.2 143.5 30.8 13.7 13.9 81 100 A F 0 0 115 7,-0.2 36,-0.1 -2,-0.2 11,-0.1 -0.401 360.0 360.0 -68.5 148.7 30.1 10.3 12.4 82 101 A T 0 0 148 -2,-0.1 -1,-0.1 34,-0.1 6,-0.1 0.566 360.0 360.0-126.4 360.0 28.5 10.4 9.0 83 ! 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 84 108 A N > 0 0 140 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 177.0 20.0 4.3 9.3 85 109 A R G > + 0 0 213 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.827 360.0 64.0 -69.5 -32.1 21.1 7.9 9.6 86 110 A L G 3 S+ 0 0 47 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.624 86.4 70.6 -66.9 -16.6 19.2 7.9 12.9 87 111 A D G <> S+ 0 0 96 -3,-0.9 4,-0.6 1,-0.2 -1,-0.3 0.747 93.6 56.4 -73.9 -22.3 21.6 5.3 14.3 88 112 A L H <> S+ 0 0 43 -3,-1.3 4,-3.6 -4,-0.3 5,-0.4 0.683 85.3 85.4 -80.5 -19.7 24.4 7.9 14.4 89 113 A L H > S+ 0 0 3 -3,-0.4 4,-1.8 -4,-0.4 -1,-0.2 0.917 93.5 39.7 -48.8 -56.5 22.2 10.2 16.6 90 114 A P H > S+ 0 0 51 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.901 117.5 51.9 -63.5 -37.0 23.2 8.7 20.0 91 115 A L H X S+ 0 0 70 -4,-0.6 4,-1.1 1,-0.2 3,-0.3 0.935 111.5 44.3 -63.1 -49.5 26.8 8.3 18.8 92 116 A N H X S+ 0 0 2 -4,-3.6 4,-2.3 1,-0.2 -1,-0.2 0.790 106.9 60.9 -67.8 -27.1 27.2 11.9 17.7 93 117 A N H X S+ 0 0 19 -4,-1.8 4,-2.4 -5,-0.4 -1,-0.2 0.881 100.6 55.6 -65.8 -34.6 25.5 13.0 20.9 94 118 A K H X S+ 0 0 143 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.862 106.7 49.4 -64.3 -36.1 28.4 11.4 22.7 95 119 A I H X S+ 0 0 31 -4,-1.1 4,-2.6 2,-0.2 5,-0.3 0.924 109.9 50.9 -68.6 -43.0 30.8 13.5 20.7 96 120 A M H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.879 109.9 51.2 -61.1 -38.0 28.8 16.6 21.6 97 121 A I H X S+ 0 0 80 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.936 111.0 46.5 -64.8 -48.0 29.0 15.6 25.3 98 122 A E H X S+ 0 0 95 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.924 116.9 43.7 -60.6 -46.5 32.7 15.2 25.2 99 123 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.931 111.2 55.3 -66.0 -44.6 33.3 18.5 23.4 100 124 A G H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.861 104.1 53.7 -56.9 -39.3 30.8 20.3 25.6 101 125 A G H X S+ 0 0 37 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.892 111.5 45.0 -64.3 -38.6 32.6 19.3 28.8 102 126 A H H X>S+ 0 0 64 -4,-1.3 4,-3.8 -3,-0.3 5,-0.5 0.871 110.9 52.7 -73.6 -37.2 35.9 20.7 27.5 103 127 A I H X5S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.951 109.2 50.6 -60.9 -47.5 34.3 23.9 26.2 104 128 A K H <5S+ 0 0 113 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.868 119.6 37.4 -57.0 -38.2 32.7 24.4 29.7 105 129 A K H <5S+ 0 0 166 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.880 129.4 26.9 -82.8 -42.7 36.1 23.9 31.3 106 130 A N H <5S+ 0 0 40 -4,-3.8 -35,-0.9 1,-0.1 -3,-0.2 0.827 135.1 11.1 -94.3 -36.8 38.5 25.6 28.8 107 131 A C ><< + 0 0 5 -4,-2.1 3,-1.7 -5,-0.5 -1,-0.1 -0.398 58.9 158.7-146.0 67.7 36.5 28.3 27.0 108 132AA P T 3 S+ 0 0 57 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.690 81.9 50.5 -62.9 -18.9 33.1 29.0 28.6 109 132BA N T 3 S+ 0 0 124 -37,-0.1 -5,-0.1 -6,-0.1 -6,-0.0 0.350 84.6 115.8-103.3 7.4 33.0 32.4 27.0 110 133 A A S < S- 0 0 1 -3,-1.7 2,-0.5 -7,-0.2 -36,-0.3 -0.311 70.2-116.6 -72.4 158.7 33.8 31.3 23.5 111 134 A F E -d 74 0A 0 -38,-2.8 -36,-2.7 21,-0.0 2,-0.4 -0.876 34.1-150.2 -97.5 126.7 31.3 31.7 20.7 112 135 A I E -de 75 137A 0 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180 A L H <5S- 0 0 23 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.518 105.3-128.7 -93.0 -6.0 17.9 36.6 -13.8 158 181 A N T <5 + 0 0 137 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.943 62.9 125.6 57.4 53.1 21.5 37.5 -14.8 159 182 A V S - 0 0 72 -2,-0.3 3,-1.7 1,-0.1 4,-0.4 -0.333 45.3-128.1 -55.1 130.1 25.0 39.5 -9.1 161 184 A P G > S+ 0 0 52 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.868 108.2 54.9 -49.1 -43.6 24.4 36.5 -6.8 162 185 A R G 3 S+ 0 0 160 1,-0.3 -2,-0.1 -8,-0.0 -11,-0.0 0.691 94.1 70.9 -66.0 -19.1 24.5 38.6 -3.6 163 186 A D G < S+ 0 0 87 -3,-1.7 23,-3.3 22,-0.1 24,-0.6 0.631 84.5 78.9 -74.3 -12.9 21.8 40.8 -5.0 164 187 A V E < -J 185 0B 1 -3,-1.5 2,-0.4 -4,-0.4 21,-0.2 -0.855 66.9-168.5 -96.6 125.5 19.2 38.1 -4.6 165 188 A N E +J 184 0B 77 19,-2.3 19,-2.6 -2,-0.6 2,-0.3 -0.930 12.2 164.5-116.5 142.3 18.0 37.7 -1.0 166 189 A A - 0 0 0 -2,-0.4 2,-0.4 17,-0.2 17,-0.2 -0.962 26.5-133.9-149.4 163.7 16.0 34.8 0.2 167 190 A H + 0 0 34 12,-0.5 12,-2.3 -2,-0.3 2,-0.5 -0.981 17.2 175.2-130.8 124.4 14.8 33.1 3.5 168 191 A I E +L 178 0C 2 -2,-0.4 10,-0.2 10,-0.2 2,-0.2 -0.996 24.4 164.9-124.3 121.9 14.9 29.4 4.3 169 192 A V E +L 177 0C 1 8,-2.6 8,-2.9 -2,-0.5 2,-1.6 -0.593 33.8 55.0-129.4-172.1 13.9 28.6 7.9 170 193 A G B S-G 266 0A 0 96,-2.6 96,-1.4 -2,-0.2 2,-0.3 -0.535 107.8 -10.3 88.0 -72.7 12.7 26.0 10.4 171 194 A A - 0 0 10 -2,-1.6 2,-0.3 94,-0.2 6,-0.3 -0.981 65.1-107.4-155.8 161.3 15.5 23.5 10.1 172 195 A H S S+ 0 0 56 -2,-0.3 3,-0.3 4,-0.1 -52,-0.2 -0.702 85.0 36.9 -86.9 144.8 18.6 22.6 7.9 173 196 A G S > S- 0 0 28 -2,-0.3 3,-3.0 1,-0.2 -2,-0.1 -0.554 114.4 -24.1 111.4-176.5 17.8 19.5 5.9 174 197 A N T 3 S+ 0 0 118 1,-0.3 -1,-0.2 -2,-0.2 38,-0.1 0.713 131.6 53.4 -46.0 -31.8 14.9 17.9 4.0 175 198 A K T 3 S+ 0 0 73 -3,-0.3 -1,-0.3 120,-0.1 120,-0.2 0.304 77.4 139.9 -91.5 9.6 12.3 19.8 6.1 176 199 A M < - 0 0 18 -3,-3.0 2,-0.7 -6,-0.1 -6,-0.2 -0.216 52.2-129.6 -53.8 140.9 13.8 23.2 5.4 177 200 A V E -L 169 0C 8 -8,-2.9 -8,-2.6 -6,-0.3 2,-0.5 -0.856 18.1-161.4-101.8 108.5 11.2 25.8 4.8 178 201 A L E -L 168 0C 34 -2,-0.7 2,-0.9 -10,-0.2 -10,-0.2 -0.785 7.4-152.2 -89.0 124.2 11.7 27.9 1.7 179 202 A L > - 0 0 4 -12,-2.3 3,-1.7 -2,-0.5 -12,-0.5 -0.770 15.4-178.7-104.2 92.0 9.7 31.1 1.8 180 203 A K G > S+ 0 0 81 -2,-0.9 3,-1.3 1,-0.3 10,-0.2 0.830 82.3 62.1 -52.9 -37.9 8.9 32.2 -1.8 181 204 A R G 3 S+ 0 0 131 1,-0.3 -1,-0.3 -3,-0.1 10,-0.1 0.712 100.2 53.7 -63.4 -25.1 7.2 35.3 -0.4 182 205 A Y G < S+ 0 0 51 -3,-1.7 2,-0.4 -15,-0.2 -1,-0.3 0.068 80.7 114.4-101.3 23.8 10.4 36.6 1.1 183 206 A I < + 0 0 3 -3,-1.3 7,-2.5 -17,-0.2 8,-0.3 -0.813 39.6 176.3 -97.3 134.8 12.6 36.5 -2.0 184 207 A T E -JK 165 189B 39 -19,-2.6 -19,-2.3 -2,-0.4 2,-0.4 -0.919 22.9-150.6-133.4 160.0 13.9 39.8 -3.4 185 208 A V E > S-JK 164 188B 4 3,-2.7 3,-1.9 -2,-0.3 -21,-0.2 -0.969 90.2 -13.5-132.3 113.0 16.2 40.8 -6.3 186 209AA G T 3 S- 0 0 52 -23,-3.3 -22,-0.1 -2,-0.4 -1,-0.1 0.824 131.4 -56.4 63.3 27.2 18.1 44.0 -5.8 187 209BA G T 3 S+ 0 0 59 -24,-0.6 -1,-0.3 1,-0.3 -23,-0.1 0.401 114.4 123.9 83.8 -2.4 15.7 44.6 -2.9 188 209CA I E < S-K 185 0B 71 -3,-1.9 -3,-2.7 1,-0.1 -1,-0.3 -0.745 73.5-101.4 -94.1 134.3 12.7 44.2 -5.3 189 209DA P E >> -K 184 0B 67 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.293 26.0-131.8 -54.7 134.3 10.0 41.6 -4.5 190 210AA L H >> S+ 0 0 4 -7,-2.5 4,-1.5 1,-0.3 3,-1.3 0.823 101.4 73.1 -57.2 -33.3 10.6 38.6 -6.8 191 210BA Q H 3> S+ 0 0 92 -8,-0.3 4,-2.8 1,-0.3 -1,-0.3 0.808 89.3 59.8 -52.9 -32.1 6.9 38.6 -7.7 192 211 A E H <> S+ 0 0 101 -3,-1.6 4,-1.3 1,-0.2 -1,-0.3 0.869 105.3 47.9 -65.4 -34.8 7.5 41.7 -9.8 193 212 A F H <<>S+ 0 0 34 -3,-1.3 5,-2.2 -4,-0.6 6,-0.9 0.776 111.6 50.5 -74.9 -27.5 10.0 39.7 -11.9 194 213 A I H ><5S+ 0 0 12 -4,-1.5 3,-1.7 2,-0.2 -2,-0.2 0.900 107.7 52.3 -74.9 -41.9 7.4 36.9 -12.2 195 214 A N H 3<5S+ 0 0 105 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.845 108.7 53.6 -60.4 -32.1 4.8 39.4 -13.3 196 215 A N T 3<5S- 0 0 104 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.448 111.5-121.7 -82.0 -4.2 7.3 40.5 -15.9 197 216 A K T < 5S+ 0 0 185 -3,-1.7 -3,-0.2 2,-0.3 3,-0.2 0.693 78.2 125.4 69.1 19.0 7.8 37.0 -17.3 198 218 A L S - 0 0 47 -2,-0.3 4,-2.0 -3,-0.2 5,-0.1 -0.529 19.9-119.9 -96.9 164.7 8.3 31.7 -14.2 201 221 A D H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 117.2 53.2 -65.9 -37.9 6.6 30.1 -11.3 202 222 A A H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 107.0 51.3 -64.6 -39.0 7.5 26.7 -12.8 203 223 A E H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 111.0 48.9 -63.4 -42.4 11.2 27.7 -13.1 204 225 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.876 106.4 54.8 -65.2 -39.7 11.1 28.7 -9.4 205 226 A E H X S+ 0 0 126 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.903 109.8 47.9 -60.8 -40.6 9.5 25.4 -8.3 206 227 A A H X S+ 0 0 60 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.892 110.9 50.6 -67.5 -39.0 12.3 23.5 -10.0 207 228 A I H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.869 108.5 54.0 -65.4 -36.7 14.9 25.8 -8.4 208 229 A F H X S+ 0 0 31 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.939 110.0 44.6 -62.4 -49.6 13.2 25.1 -5.0 209 230 A D H X S+ 0 0 89 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.907 112.9 52.9 -61.4 -41.4 13.4 21.4 -5.4 210 231 A R H < S+ 0 0 112 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.900 108.3 51.0 -60.1 -41.6 17.0 21.8 -6.6 211 232 A T H >< S+ 0 0 1 -4,-2.4 3,-1.2 1,-0.2 4,-0.3 0.941 111.1 46.2 -61.9 -49.9 17.8 23.9 -3.4 212 233 A V H 3< S+ 0 0 38 -4,-2.4 3,-0.3 1,-0.2 4,-0.2 0.881 120.4 40.3 -62.3 -37.8 16.4 21.3 -1.1 213 234 A N T 3X S+ 0 0 69 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.152 80.8 110.1 -99.9 20.4 18.2 18.4 -2.9 214 235 A T H <> S+ 0 0 3 -3,-1.2 4,-3.1 2,-0.2 5,-0.3 0.923 77.5 49.7 -62.0 -48.5 21.6 20.1 -3.6 215 236 A A H > S+ 0 0 45 -4,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.958 114.8 47.0 -54.4 -49.0 23.7 18.1 -1.2 216 237 A L H > S+ 0 0 89 1,-0.2 4,-2.2 -4,-0.2 -1,-0.2 0.873 111.3 51.6 -59.8 -38.9 22.2 15.0 -2.7 217 238 A E H X S+ 0 0 61 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.924 110.9 46.9 -65.2 -43.8 22.8 16.4 -6.2 218 239 A I H <>S+ 0 0 46 -4,-3.1 5,-1.2 1,-0.2 3,-0.4 0.891 112.5 50.7 -64.4 -39.7 26.5 17.1 -5.4 219 240 A V H ><5S+ 0 0 75 -4,-2.6 3,-1.6 -5,-0.3 -1,-0.2 0.880 106.9 53.6 -65.3 -39.7 26.9 13.6 -3.9 220 241 A N H 3<5S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.715 101.7 59.8 -69.5 -19.0 25.3 12.0 -6.9 221 242 A L T 3<5S- 0 0 121 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.294 126.6-102.2 -89.4 9.0 27.9 13.8 -9.1 222 243 A H T < 5S+ 0 0 182 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.920 92.3 91.4 70.4 47.4 30.6 12.0 -7.1 223 244 A A < - 0 0 56 -5,-1.2 -1,-0.3 -4,-0.2 -2,-0.1 -0.816 64.1-131.9-149.4-175.6 31.5 14.9 -4.9 224 245 A S - 0 0 66 -2,-0.3 2,-0.5 -3,-0.1 3,-0.3 -0.989 25.2-108.1-149.2 140.9 30.5 16.2 -1.5 225 246 A P + 0 0 39 0, 0.0 -211,-0.1 0, 0.0 -10,-0.0 -0.585 65.5 119.8 -75.6 122.4 29.5 19.7 -0.3 226 247 A Y > + 0 0 74 -2,-0.5 4,-1.7 -213,-0.1 5,-0.1 0.408 60.8 66.5-149.9 -22.2 32.2 21.3 1.9 227 248 A V H > S+ 0 0 85 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.961 107.3 39.3 -72.6 -52.2 33.4 24.4 0.2 228 249 A A H > S+ 0 0 39 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.929 115.0 53.8 -63.4 -47.0 30.1 26.4 0.5 229 250 A P H > S+ 0 0 6 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.940 111.2 46.8 -52.0 -46.7 29.4 25.1 4.0 230 251 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.907 113.5 47.8 -61.2 -44.4 32.9 26.3 5.0 231 252 A A H X S+ 0 0 46 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.870 111.7 50.0 -65.6 -38.3 32.3 29.7 3.3 232 253 A A H X S+ 0 0 6 -4,-3.3 4,-1.7 2,-0.2 -2,-0.2 0.919 110.6 50.4 -65.8 -42.9 28.9 30.1 5.0 233 254 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.3 -2,-0.2 0.915 109.8 50.1 -61.9 -43.6 30.4 29.2 8.4 234 255 A I H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.840 105.1 56.6 -66.1 -32.8 33.2 31.8 8.0 235 256 A E H X S+ 0 0 33 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.927 111.8 44.7 -63.3 -40.0 30.6 34.5 7.0 236 257 A M H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.953 114.5 46.4 -66.0 -52.5 28.9 33.8 10.3 237 258 A A H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.881 112.6 51.7 -58.7 -39.3 32.1 33.7 12.3 238 259 A E H X S+ 0 0 22 -4,-2.8 4,-2.5 2,-0.2 6,-0.3 0.849 104.1 55.9 -67.8 -35.9 33.4 36.9 10.7 239 260 A S H <>S+ 0 0 0 -4,-1.7 5,-2.0 -5,-0.2 6,-0.7 0.898 113.3 43.1 -62.8 -39.1 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312 A K H X S+ 0 0 82 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.843 102.0 57.8 -61.6 -35.5 3.9 28.3 9.9 290 313 A A H X S+ 0 0 49 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.890 108.1 46.4 -62.5 -39.8 2.5 24.8 9.2 291 314 A K H X S+ 0 0 112 -4,-1.2 4,-1.8 -3,-0.2 -2,-0.2 0.865 109.9 52.7 -70.1 -38.5 5.7 23.9 7.3 292 315 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.931 106.2 54.9 -62.6 -44.0 7.9 25.4 10.1 293 316 A D H X S+ 0 0 65 -4,-2.6 4,-2.5 1,-0.3 -1,-0.2 0.898 105.6 53.2 -54.7 -42.3 5.9 23.2 12.5 294 317 A E H X S+ 0 0 88 -4,-1.5 4,-1.7 2,-0.2 -1,-0.3 0.889 107.7 50.4 -60.4 -41.7 6.9 20.2 10.3 295 318 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 3,-0.2 0.950 111.3 47.1 -62.8 -49.5 10.5 21.2 10.5 296 319 A I H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.892 107.8 57.7 -59.5 -41.5 10.5 21.5 14.3 297 320 A A H X S+ 0 0 57 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.885 106.5 47.7 -57.0 -42.8 8.7 18.1 14.6 298 321 A E H X S+ 0 0 44 -4,-1.7 4,-2.3 -3,-0.2 -1,-0.2 0.872 111.1 51.5 -67.9 -36.6 11.4 16.3 12.8 299 322 A T H X 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