==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-DEC-12 3ZH2 . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR Y.W.CHEUNG,J.KWOK,A.W.L.LAW,R.M.WATT,M.KOTAKA,J.A.TANNER . 1248 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 975 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 10.1 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 94 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 443 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.9 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 2 2 3 4 0 0 3 0 12 0 0 4 5 0 3 5 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 12 4 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 . 6 14 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 0 0 0 0 4 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 P 0 0 166 0, 0.0 3,-0.1 0, 0.0 1189,-0.0 0.000 360.0 360.0 360.0 150.5 26.1 3.3 -17.4 2 4 A K - 0 0 41 1,-0.1 25,-0.1 1188,-0.1 24,-0.1 -0.154 360.0 -90.2 -49.9 143.0 27.6 2.5 -14.0 3 5 A A - 0 0 21 23,-0.3 25,-2.7 69,-0.1 2,-0.5 -0.228 34.3-146.9 -48.2 139.8 26.5 -0.6 -11.9 4 6 A K E -a 28 0A 57 66,-0.3 68,-3.3 23,-0.2 69,-1.4 -0.996 14.6-167.0-113.8 119.2 23.5 0.1 -9.5 5 7 A I E -ab 29 73A 2 23,-3.2 25,-1.8 -2,-0.5 2,-0.6 -0.945 4.6-155.2-110.6 121.6 23.9 -2.0 -6.4 6 8 A V E -ab 30 74A 2 67,-2.7 69,-3.3 -2,-0.6 2,-1.0 -0.818 2.4-156.5 -96.7 124.9 20.9 -2.3 -4.0 7 9 A L E -ab 31 75A 0 23,-3.2 25,-3.2 -2,-0.6 2,-1.2 -0.781 4.7-161.7 -96.7 101.7 21.4 -3.1 -0.4 8 10 A V E S+ab 32 76A 0 67,-2.5 69,-2.3 -2,-1.0 70,-1.8 -0.718 76.9 33.6 -83.7 97.5 18.1 -4.7 1.0 9 11 A G - 0 0 2 23,-2.9 24,-0.2 -2,-1.2 23,-0.2 0.265 67.2-156.9 119.1 106.5 18.7 -4.2 4.7 10 12 A S + 0 0 0 21,-0.1 23,-0.1 4,-0.1 32,-0.1 -0.230 52.4 119.0-106.4 41.3 20.6 -1.1 5.9 11 13 A G S > S- 0 0 34 3,-0.0 4,-2.3 4,-0.0 3,-0.3 -0.093 86.9 -58.6 -87.8-158.3 21.8 -2.4 9.3 12 14 A M H > S+ 0 0 65 1,-0.3 4,-1.3 2,-0.2 5,-0.2 0.817 137.4 45.3 -59.5 -47.0 25.5 -2.8 10.2 13 15 A I H > S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.904 113.4 53.6 -59.6 -40.4 26.6 -5.2 7.4 14 16 A G H > S+ 0 0 0 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.907 106.2 51.8 -64.4 -38.3 24.7 -3.0 5.0 15 17 A G H X S+ 0 0 10 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.833 109.5 49.0 -67.6 -28.3 26.6 0.1 6.3 16 18 A V H X S+ 0 0 13 -4,-1.3 4,-1.9 -3,-0.4 5,-0.2 0.940 108.0 55.1 -87.3 -34.7 30.0 -1.5 5.8 17 19 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.866 106.0 50.8 -50.9 -51.7 29.1 -2.6 2.3 18 20 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.934 110.4 50.6 -53.2 -56.0 28.2 0.9 1.2 19 21 A T H X S+ 0 0 3 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.835 112.3 44.1 -45.7 -46.1 31.5 2.1 2.5 20 22 A L H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.857 109.2 57.8 -78.1 -33.8 33.5 -0.5 0.7 21 23 A I H <>S+ 0 0 0 -4,-2.7 5,-3.2 -5,-0.2 6,-0.3 0.907 112.0 41.4 -59.0 -45.7 31.5 -0.0 -2.6 22 24 A V H ><5S+ 0 0 0 -4,-2.0 3,-1.1 3,-0.2 -2,-0.2 0.910 112.5 54.2 -70.9 -46.9 32.5 3.7 -2.5 23 25 A Q H 3<5S+ 0 0 38 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.940 117.8 37.2 -47.4 -42.2 36.1 2.9 -1.5 24 26 A K T 3<5S- 0 0 79 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.452 106.6-127.8 -95.2 4.8 36.3 0.6 -4.5 25 27 A N T < 5 + 0 0 31 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.875 54.8 154.0 52.5 44.2 34.3 2.8 -6.8 26 28 A L < - 0 0 15 -5,-3.2 -23,-0.3 1,-0.2 2,-0.2 0.689 52.7 -62.7 -83.1 -22.0 32.1 -0.2 -7.5 27 29 A G - 0 0 0 -6,-0.3 -1,-0.2 -25,-0.1 -23,-0.2 -0.890 65.0 -51.1 162.6 173.6 28.7 1.4 -8.5 28 30 A D E -a 4 0A 36 -25,-2.7 -23,-3.2 -2,-0.2 2,-0.4 -0.394 57.6-149.5 -68.8 156.8 25.8 3.5 -7.3 29 31 A V E -ac 5 59A 1 29,-2.7 31,-2.3 -25,-0.2 2,-0.5 -0.995 17.5-165.8-140.4 137.9 24.3 2.3 -4.1 30 32 A V E -ac 6 60A 8 -25,-1.8 -23,-3.2 -2,-0.4 2,-0.8 -0.983 12.6-152.0-125.2 126.3 20.9 2.3 -2.5 31 33 A L E -ac 7 61A 0 29,-3.5 31,-1.6 -2,-0.5 2,-0.4 -0.891 23.0-167.9 -98.5 113.3 20.6 1.6 1.1 32 34 A F E +ac 8 62A 7 -25,-3.2 -23,-2.9 -2,-0.8 2,-0.3 -0.838 19.0 144.8-109.3 139.8 17.2 0.1 1.6 33 35 A D - 0 0 23 29,-2.2 4,-0.1 -2,-0.4 29,-0.1 -0.936 48.4-132.8-157.3 151.5 15.3 -0.6 4.7 34 36 A I S S+ 0 0 124 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.732 86.3 95.6 -69.2 -24.1 11.7 -0.5 6.0 35 37 A V S S- 0 0 80 1,-0.1 2,-0.1 -3,-0.1 -2,-0.1 -0.549 85.4-120.4 -72.3 131.4 12.9 1.4 9.0 36 38 A K S S- 0 0 138 -2,-0.3 2,-2.4 1,-0.2 -1,-0.1 -0.447 74.3 -3.7 -85.0 149.6 12.3 5.0 8.1 37 39 A N S >> S+ 0 0 65 1,-0.2 4,-1.8 -2,-0.1 3,-0.5 -0.188 105.3 92.1 74.7 -50.4 14.9 7.8 7.8 38 40 A M H 3> S+ 0 0 30 -2,-2.4 4,-2.1 1,-0.2 5,-0.2 0.839 82.8 50.8 -45.6 -47.3 17.8 5.7 9.0 39 41 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.890 109.5 54.1 -64.6 -32.7 19.0 4.6 5.5 40 42 A H H <> S+ 0 0 71 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.890 106.5 50.3 -60.0 -44.6 18.9 8.2 4.5 41 43 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 498,-0.5 5,-0.2 0.931 115.3 43.0 -60.8 -49.9 21.2 9.2 7.4 42 44 A K H X S+ 0 0 24 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.860 112.2 52.9 -57.5 -44.7 23.7 6.5 6.5 43 45 A A H X S+ 0 0 2 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.972 111.7 45.8 -61.2 -50.3 23.5 7.2 2.8 44 46 A L H X S+ 0 0 22 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.940 114.7 46.9 -55.0 -52.7 24.3 10.9 3.2 45 47 A D H >< S+ 0 0 3 -4,-2.0 3,-1.2 1,-0.2 4,-0.5 0.961 116.2 44.7 -53.1 -53.3 27.1 10.3 5.7 46 48 A T H >< S+ 0 0 2 -4,-2.4 3,-1.4 1,-0.2 4,-0.3 0.847 102.4 66.3 -65.9 -34.7 28.6 7.6 3.5 47 49 A S H >< S+ 0 0 2 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.739 91.3 64.4 -54.4 -23.3 28.2 9.7 0.2 48 50 A H T XX S+ 0 0 0 -3,-1.2 3,-1.9 -4,-0.8 4,-0.5 0.761 84.7 74.6 -80.6 -18.8 30.8 12.3 1.5 49 51 A T H <> S+ 0 0 0 -3,-1.4 4,-2.3 -4,-0.5 -1,-0.3 0.660 74.0 81.6 -68.4 -18.8 33.5 9.6 1.4 50 52 A N H <4>S+ 0 0 0 -3,-1.1 5,-1.7 -4,-0.3 430,-0.3 0.776 89.0 53.6 -46.3 -31.0 33.5 9.9 -2.3 51 53 A V H X45S+ 0 0 4 -3,-1.9 3,-1.0 2,-0.2 -2,-0.2 0.969 112.9 41.1 -76.2 -55.3 35.7 13.0 -1.9 52 54 A M H 3<5S+ 0 0 26 -4,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.745 118.1 48.5 -56.9 -28.9 38.3 11.2 0.3 53 55 A A T 3<5S- 0 0 21 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.467 103.4-127.4 -94.9 2.0 38.2 8.0 -2.0 54 56 A Y T < 5 + 0 0 46 -3,-1.0 -3,-0.2 -4,-0.2 2,-0.2 0.857 67.2 135.2 52.6 29.7 38.5 9.9 -5.1 55 57 A S < - 0 0 4 -5,-1.7 425,-0.3 -6,-0.3 -1,-0.2 -0.518 53.8-146.8-102.1 175.1 35.3 8.0 -6.2 56 58 A N + 0 0 10 -2,-0.2 2,-0.5 1133,-0.1 -28,-0.1 -0.447 43.0 136.5-140.4 64.0 32.0 8.9 -8.0 57 59 A C - 0 0 0 -10,-0.1 2,-0.1 -30,-0.1 -7,-0.1 -0.953 46.8-134.3-116.3 123.2 29.2 6.7 -6.6 58 60 A K - 0 0 115 -2,-0.5 -29,-2.7 -8,-0.0 2,-0.4 -0.476 21.9-167.3 -69.4 138.4 25.8 8.0 -5.7 59 61 A V E +c 29 0A 15 -31,-0.2 2,-0.3 -2,-0.1 -29,-0.2 -1.000 14.0 165.7-126.5 127.2 24.6 6.7 -2.4 60 62 A S E -c 30 0A 52 -31,-2.3 -29,-3.5 -2,-0.4 2,-0.2 -0.947 29.4-123.4-138.0 160.7 21.0 7.1 -1.4 61 63 A G E -c 31 0A 9 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.549 27.3-167.8 -94.3 166.0 18.6 5.8 1.1 62 64 A S E +c 32 0A 2 -31,-1.6 -29,-2.2 -2,-0.2 3,-0.0 -0.951 33.2 178.7-157.5 143.8 15.3 4.1 0.4 63 65 A N S S+ 0 0 44 -2,-0.3 2,-0.4 -31,-0.2 -1,-0.1 0.197 72.4 76.3-119.9 10.6 12.1 3.0 1.9 64 66 A T > - 0 0 53 1,-0.1 3,-2.1 0, 0.0 4,-0.1 -0.984 67.3-144.0-127.3 130.8 10.5 1.6 -1.3 65 67 A Y G > S+ 0 0 26 -2,-0.4 3,-1.6 1,-0.3 4,-0.1 0.588 94.5 84.6 -63.1 -7.5 11.1 -1.6 -3.2 66 68 A D G > S+ 0 0 95 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.806 74.8 72.0 -64.6 -21.1 10.5 0.5 -6.3 67 69 A D G < S+ 0 0 60 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.666 75.2 80.2 -73.6 -13.8 14.1 1.5 -6.0 68 70 A L G X + 0 0 2 -3,-1.6 3,-2.0 -4,-0.1 -1,-0.3 0.586 64.2 119.6 -56.4 -15.7 15.1 -2.0 -7.2 69 71 A A T < S+ 0 0 50 -3,-1.9 46,-0.2 1,-0.3 45,-0.1 -0.390 85.8 4.3 -60.2 128.5 14.4 -0.8 -10.8 70 72 A G T 3 S+ 0 0 51 44,-1.3 -66,-0.3 1,-0.2 -1,-0.3 0.468 88.7 159.7 79.7 3.3 17.6 -1.2 -12.9 71 73 A A < - 0 0 6 -3,-2.0 -1,-0.2 43,-0.2 -66,-0.2 -0.298 26.0-169.0 -59.0 139.5 19.6 -2.8 -10.1 72 74 A D S S+ 0 0 64 -68,-3.3 47,-2.4 1,-0.5 2,-0.4 0.747 77.8 16.9 -95.4 -34.7 22.6 -4.8 -11.4 73 75 A V E -bd 5 119A 0 -69,-1.4 -67,-2.7 45,-0.2 -1,-0.5 -0.991 67.8-163.1-140.9 135.8 23.3 -6.5 -8.1 74 76 A V E -bd 6 120A 0 45,-2.6 47,-2.9 -2,-0.4 2,-0.6 -0.991 4.4-163.9-121.7 134.5 20.9 -6.9 -5.0 75 77 A I E -bd 7 121A 0 -69,-3.3 -67,-2.5 -2,-0.4 2,-0.8 -0.959 5.8-156.5-123.2 119.7 22.2 -7.9 -1.6 76 78 A V E +bd 8 122A 0 45,-2.5 47,-2.5 -2,-0.6 48,-1.0 -0.820 35.3 142.3-100.7 106.5 19.8 -9.1 0.9 77 79 A T + 0 0 28 -69,-2.3 -68,-0.2 -2,-0.8 48,-0.2 0.489 42.4 108.5-106.8 -8.3 20.8 -8.8 4.5 78 80 A A + 0 0 24 -70,-1.8 2,-0.2 46,-0.1 46,-0.1 -0.395 41.1 96.9 -78.6 150.2 17.5 -7.9 6.0 79 81 A G S S- 0 0 32 45,-0.1 2,-0.1 24,-0.0 21,-0.1 -0.750 72.4 -66.1 161.3 167.1 15.5 -10.3 8.2 80 82 A F + 0 0 81 -2,-0.2 45,-0.1 16,-0.2 3,-0.1 -0.442 40.5 169.2 -66.2 146.3 14.7 -11.4 11.8 81 83 A T + 0 0 111 1,-0.3 2,-0.2 -2,-0.1 -1,-0.1 0.551 63.5 16.5-132.6 -25.7 17.6 -12.7 13.7 82 84 A K S S- 0 0 127 1,-0.1 -1,-0.3 14,-0.1 10,-0.1 -0.673 108.9 -47.4-134.8-175.6 16.3 -12.9 17.3 83 85 A A - 0 0 28 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 -0.479 54.8-140.5 -56.8 123.2 12.9 -12.8 19.2 84 86 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.810 73.0 11.7 -63.2 -35.4 11.2 -9.8 17.5 85 87 A G S > S- 0 0 27 1,-0.1 3,-0.9 3,-0.0 -2,-0.0 -0.909 74.6-107.3-138.5 163.9 9.7 -8.5 20.7 86 88 A K T 3 S+ 0 0 204 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.875 118.3 61.5 -47.9 -41.5 9.7 -8.7 24.5 87 89 A S T 3 S+ 0 0 81 1,-0.1 2,-1.7 -3,-0.0 -1,-0.2 0.772 72.5 99.2 -62.7 -27.4 6.3 -10.4 24.0 88 90 A D X - 0 0 64 -3,-0.9 3,-0.6 1,-0.2 -1,-0.1 -0.412 65.7-165.6 -75.2 93.8 7.7 -13.3 22.0 89 91 A K T 3 - 0 0 176 -2,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.798 60.1 -5.1 -58.5 -65.2 7.7 -15.6 24.9 90 92 A E T 3 S+ 0 0 192 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 -0.711 83.5 159.2-139.7 85.3 9.7 -18.7 24.4 91 93 A W < - 0 0 75 -3,-0.6 2,-0.3 -2,-0.3 -8,-0.1 -0.646 18.9-162.2-111.6 153.2 10.7 -18.6 20.9 92 94 A N > - 0 0 85 -2,-0.2 3,-2.2 -10,-0.1 4,-0.4 -0.928 40.3 -84.5-133.1 176.1 13.6 -20.4 19.2 93 95 A R G > S+ 0 0 151 1,-0.3 3,-1.8 -2,-0.3 4,-0.3 0.785 122.4 56.1 -41.0 -49.7 15.7 -20.2 16.0 94 96 A D G > S+ 0 0 38 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.789 92.1 71.0 -59.1 -30.1 13.2 -22.2 14.0 95 97 A D G <> S+ 0 0 71 -3,-2.2 4,-0.6 1,-0.3 -1,-0.3 0.732 90.7 61.7 -60.9 -17.1 10.4 -19.8 14.8 96 98 A L H <> S+ 0 0 17 -3,-1.8 4,-2.2 -4,-0.4 -1,-0.3 0.682 82.8 82.2 -84.7 -20.9 12.1 -17.2 12.5 97 99 A L H <> S+ 0 0 3 -3,-1.6 4,-1.9 -4,-0.3 -1,-0.2 0.888 90.9 44.9 -53.0 -50.2 11.8 -19.4 9.5 98 100 A P H > S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.937 113.4 52.8 -65.5 -41.1 8.1 -18.5 8.6 99 101 A L H X S+ 0 0 63 -4,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.880 111.3 43.8 -56.3 -41.3 8.8 -14.7 9.2 100 102 A N H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.862 108.6 57.8 -79.0 -30.5 11.9 -14.5 6.9 101 103 A N H X S+ 0 0 24 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.932 103.8 53.8 -58.1 -46.1 10.2 -16.6 4.2 102 104 A K H X S+ 0 0 144 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.932 108.1 49.8 -56.1 -44.9 7.5 -13.9 4.2 103 105 A I H X S+ 0 0 31 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.893 110.1 50.4 -56.0 -40.4 10.1 -11.2 3.6 104 106 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.811 106.7 55.0 -72.9 -31.7 11.6 -13.3 0.7 105 107 A I H X S+ 0 0 88 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.943 113.3 43.3 -60.1 -48.8 8.2 -13.6 -0.9 106 108 A E H X S+ 0 0 96 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.966 115.9 45.0 -68.9 -48.0 7.9 -9.9 -0.8 107 109 A I H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.927 111.9 54.4 -61.2 -39.8 11.4 -9.1 -2.0 108 110 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.869 102.6 54.0 -67.7 -31.5 11.2 -11.7 -4.7 109 111 A G H X S+ 0 0 40 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.887 110.6 49.6 -67.7 -36.0 8.0 -10.4 -6.3 110 112 A H H X S+ 0 0 49 -4,-1.6 4,-3.0 -5,-0.2 5,-0.3 0.846 108.4 50.6 -75.8 -23.2 9.7 -7.0 -6.6 111 113 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.925 109.7 52.0 -69.6 -39.6 12.8 -8.5 -8.1 112 114 A K H < S+ 0 0 117 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 118.4 36.9 -66.5 -41.0 10.6 -10.2 -10.6 113 115 A K H < S+ 0 0 136 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.926 130.7 25.5 -66.1 -54.9 8.9 -6.9 -11.4 114 116 A N H < S+ 0 0 29 -4,-3.0 -44,-1.3 1,-0.2 -43,-0.2 0.661 133.4 12.7-100.0 -24.7 11.9 -4.5 -11.2 115 117 A C >< + 0 0 6 -4,-2.7 3,-2.4 -5,-0.3 -1,-0.2 -0.255 56.9 159.7-151.5 61.1 15.1 -6.3 -11.9 116 118 A P T 3 S+ 0 0 70 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.701 82.6 51.9 -60.6 -17.3 14.6 -9.7 -13.4 117 119 A N T 3 S+ 0 0 127 -46,-0.1 -5,-0.1 -6,-0.1 -6,-0.0 0.401 83.4 119.7 -98.9 4.6 18.2 -9.6 -14.7 118 120 A A < - 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0 0 45 -2,-0.3 4,-2.5 -3,-0.1 3,-0.2 -0.728 24.8-109.1-112.2 159.0 49.8 -30.0 15.1 209 211 A D H > S+ 0 0 88 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.826 119.2 48.6 -46.1 -41.2 46.6 -32.0 14.5 210 212 A A H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.806 109.4 49.6 -77.5 -35.1 45.2 -30.8 17.9 211 213 A E H > S+ 0 0 82 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.877 113.2 49.8 -68.8 -36.1 46.0 -27.1 17.3 212 214 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.962 110.1 49.6 -67.8 -42.9 44.3 -27.6 13.9 213 215 A E H X S+ 0 0 92 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.917 109.9 50.8 -58.2 -44.6 41.3 -29.2 15.6 214 216 A A H X S+ 0 0 59 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.885 109.7 50.2 -61.6 -33.9 41.2 -26.3 18.0 215 217 A I H X S+ 0 0 22 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.861 106.8 56.2 -68.4 -34.8 41.3 -23.8 15.1 216 218 A F H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.882 109.8 45.8 -60.9 -44.9 38.4 -25.8 13.5 217 219 A D H X S+ 0 0 99 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.888 110.9 50.8 -67.2 -40.1 36.3 -25.3 16.6 218 220 A R H < S+ 0 0 104 -4,-2.0 -2,-0.2 2,-0.2 7,-0.2 0.937 110.6 50.9 -69.6 -36.2 37.1 -21.6 16.9 219 221 A T H >< S+ 0 0 2 -4,-2.6 3,-2.0 1,-0.2 4,-0.3 0.972 109.9 48.4 -62.7 -49.5 36.2 -21.2 13.2 220 222 A V H 3< S+ 0 0 33 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.853 119.8 39.6 -60.4 -36.4 32.8 -22.9 13.7 221 223 A N T 3X S+ 0 0 70 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.021 80.7 113.7 -98.2 19.5 32.1 -20.8 16.7 222 224 A T H <> S+ 0 0 0 -3,-2.0 4,-2.5 2,-0.2 5,-0.2 0.930 76.7 50.7 -60.9 -50.2 33.5 -17.4 15.6 223 225 A A H > S+ 0 0 45 -4,-0.3 4,-1.3 1,-0.3 -1,-0.2 0.915 113.8 46.8 -56.7 -46.2 30.3 -15.5 15.5 224 226 A L H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.815 109.3 54.1 -56.9 -39.6 29.5 -16.7 19.0 225 227 A E H X S+ 0 0 56 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.924 109.6 47.4 -66.9 -38.5 33.0 -15.8 20.2 226 228 A I H <>S+ 0 0 0 -4,-2.5 5,-1.7 2,-0.2 -1,-0.2 0.830 111.6 48.9 -69.0 -32.9 32.6 -12.3 19.0 227 229 A V H ><5S+ 0 0 80 -4,-1.3 3,-1.9 1,-0.2 -1,-0.2 0.896 105.6 59.0 -81.7 -35.1 29.1 -11.8 20.6 228 230 A N H 3<5S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.764 100.8 56.5 -57.7 -25.6 30.4 -13.1 23.8 229 231 A L T 3<5S- 0 0 40 -4,-0.9 127,-0.5 -3,-0.1 -1,-0.3 0.199 125.8-101.2 -90.8 16.4 33.0 -10.3 23.7 230 232 A H T < 5S+ 0 0 144 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.796 91.2 97.4 64.3 34.2 30.2 -7.6 23.5 231 233 A A < - 0 0 15 -5,-1.7 -1,-0.3 125,-0.1 -2,-0.1 -0.704 64.2-125.8-129.8-166.5 30.5 -7.1 19.8 232 234 A S - 0 0 65 -2,-0.2 2,-1.1 121,-0.1 3,-0.4 -0.994 20.8-117.2-150.7 129.6 28.9 -8.2 16.6 233 235 A P + 0 0 25 0, 0.0 -220,-0.1 0, 0.0 124,-0.1 -0.537 66.4 118.1 -72.3 99.2 30.3 -9.8 13.4 234 236 A Y > + 0 0 25 -2,-1.1 4,-1.8 -222,-0.1 5,-0.1 0.580 60.0 60.4-134.3 -22.2 29.6 -7.4 10.5 235 237 A V H > S+ 0 0 7 -3,-0.4 4,-3.6 2,-0.2 5,-0.3 0.975 106.8 47.7 -69.4 -52.9 32.9 -6.1 9.0 236 238 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.949 112.6 49.2 -49.8 -54.7 34.0 -9.6 7.9 237 239 A P H > S+ 0 0 7 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.940 110.6 50.4 -52.9 -51.6 30.6 -10.4 6.4 238 240 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.906 110.9 48.3 -51.4 -51.3 30.5 -7.2 4.5 239 241 A A H X S+ 0 0 8 -4,-3.6 4,-2.6 1,-0.2 -1,-0.2 0.901 110.4 50.2 -63.7 -34.8 33.9 -7.6 3.0 240 242 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.917 111.7 50.1 -69.6 -34.9 33.2 -11.2 1.9 241 243 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.941 108.8 50.1 -65.1 -43.9 30.1 -10.1 0.3 242 244 A I H X S+ 0 0 3 -4,-2.8 4,-3.6 1,-0.2 5,-0.3 0.929 106.1 57.7 -61.3 -38.9 31.8 -7.3 -1.6 243 245 A E H X S+ 0 0 12 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.927 110.1 43.6 -50.9 -44.9 34.4 -9.7 -2.8 244 246 A M H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.965 114.6 48.9 -68.5 -52.6 31.7 -11.9 -4.4 245 247 A A H X S+ 0 0 1 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.897 111.9 50.4 -47.3 -44.4 29.9 -8.8 -5.8 246 248 A E H X S+ 0 0 21 -4,-3.6 4,-3.0 1,-0.2 6,-0.2 0.891 104.9 55.0 -67.1 -40.7 33.2 -7.5 -7.2 247 249 A S H <>S+ 0 0 0 -4,-1.9 5,-1.2 -5,-0.3 6,-0.8 0.828 112.9 44.5 -61.8 -37.5 34.1 -10.7 -8.9 248 250 A Y H ><5S+ 0 0 34 -4,-1.8 3,-0.7 3,-0.2 -2,-0.2 0.949 116.6 43.6 -68.3 -54.9 30.7 -10.6 -10.7 249 251 A L H 3<5S+ 0 0 49 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.902 123.5 35.6 -60.8 -39.6 30.8 -6.9 -11.7 250 252 A K T 3<5S- 0 0 67 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.2 0.363 104.7-128.3 -98.4 3.2 34.5 -6.9 -12.8 251 253 A D T < 5 + 0 0 17 -3,-0.7 -3,-0.2 -4,-0.2 -4,-0.1 0.864 50.5 156.6 56.5 46.4 34.3 -10.5 -14.2 252 254 A L < - 0 0 8 -5,-1.2 28,-0.2 -6,-0.2 -4,-0.1 0.688 42.2-142.4 -75.5 -19.7 37.3 -11.7 -12.3 253 255 A K + 0 0 27 26,-1.2 541,-2.6 -6,-0.8 27,-0.2 0.904 35.3 177.4 49.4 45.8 36.1 -15.4 -12.5 254 256 A K E - H 0 279A 12 25,-0.9 25,-2.5 539,-0.2 2,-0.7 -0.481 35.2-118.0 -70.3 148.4 37.4 -16.0 -9.0 255 257 A V E + H 0 278A 20 23,-0.2 2,-0.4 -2,-0.2 23,-0.2 -0.828 49.5 161.1 -87.1 115.8 37.0 -19.3 -7.3 256 258 A L E - H 0 277A 11 21,-2.6 21,-2.1 -2,-0.7 2,-0.8 -0.989 42.1-117.8-141.5 140.0 34.9 -18.5 -4.3 257 259 A I E + H 0 276A 13 -2,-0.4 -106,-1.4 19,-0.2 -108,-0.5 -0.731 45.6 161.2 -89.2 112.8 32.8 -20.7 -2.1 258 260 A C E -FH 148 275A 0 17,-1.6 17,-1.8 -2,-0.8 2,-0.5 -0.810 48.8-102.2-121.0 161.1 29.1 -19.8 -2.2 259 261 A S E +FH 147 274A 0 -112,-2.7 -112,-2.8 -2,-0.3 2,-0.3 -0.726 58.8 163.1 -73.7 128.6 25.7 -21.4 -1.4 260 262 A T E - H 0 273A 3 13,-2.1 13,-2.5 -2,-0.5 2,-0.4 -0.939 44.7 -79.4-146.7 166.3 24.4 -22.4 -4.9 261 263 A L E - H 0 272A 23 -119,-0.4 2,-0.5 -116,-0.3 11,-0.3 -0.528 41.0-145.8 -74.3 127.3 21.7 -24.7 -6.5 262 264 A L E - 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R 01199J 0 -13,-2.1 -13,-2.3 -2,-0.4 2,-0.3 -0.987 41.9 -79.5-163.2 162.1 41.9 22.8 -29.4 1213 276 D G E +QR11171198J 8 -96,-0.7 -96,-2.5 -2,-0.3 -15,-0.2 -0.435 57.0 138.1 -69.0 125.6 42.9 22.3 -25.8 1214 277 D T E - R 01197J 0 -17,-1.8 -17,-2.3 -2,-0.3 14,-0.1 -0.962 56.7 -86.8-162.8 145.0 40.4 23.1 -23.1 1215 278 D P E + R 01196J 0 0, 0.0 12,-2.5 0, 0.0 2,-0.3 -0.369 51.3 177.4 -50.1 126.6 39.1 21.6 -19.8 1216 279 D V E -SR12261195J 0 -21,-2.5 -21,-3.0 10,-0.2 2,-0.6 -0.850 32.6-118.8-126.0 165.2 36.4 19.1 -20.3 1217 280 D V E -SR12251194J 0 8,-2.1 7,-3.6 -2,-0.3 8,-0.9 -0.969 30.3-160.1 -99.8 118.3 34.3 16.8 -18.2 1218 281 D L E +SR12231193J 0 -25,-2.5 -26,-1.5 -2,-0.6 -25,-0.7 -0.900 29.0 130.3 -98.9 114.6 34.8 13.2 -19.1 1219 282 D G E > S-S 1222 0J 0 3,-2.5 3,-2.8 -2,-0.6 -32,-0.1 -0.728 72.9 -55.2-139.9-156.5 32.3 10.6 -18.2 1220 283 D A T 3 S+ 0 0 34 1,-0.3 3,-0.1 -2,-0.2 -33,-0.1 0.701 129.9 56.6 -61.2 -19.3 30.2 7.7 -19.6 1221 284 D N T 3 S- 0 0 112 1,-0.4 2,-0.4 -31,-0.0 -1,-0.3 0.363 110.6-122.7 -90.4 9.1 28.7 10.0 -22.2 1222 285 D G E < S+S 1219 0J 0 -3,-2.8 -3,-2.5 -35,-0.1 2,-0.9 -0.772 85.8 14.9 91.4-141.4 32.2 11.0 -23.5 1223 286 D V E S+S 1218 0J 16 -141,-2.4 -5,-0.2 -2,-0.4 3,-0.1 -0.702 73.2 176.4 -67.5 107.7 32.9 14.7 -23.4 1224 287 D E E + 0 0 45 -7,-3.6 2,-0.3 -2,-0.9 -1,-0.2 0.709 62.9 10.2 -97.7 -21.9 30.1 15.8 -21.1 1225 288 D Q E -S 1217 0J 47 -8,-0.9 -8,-2.1 -143,-0.0 2,-0.6 -0.968 59.3-147.4-152.5 146.4 30.9 19.5 -20.8 1226 289 D V E -S 1216 0J 44 -2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.993 23.8-152.3-114.7 109.9 33.3 21.7 -22.6 1227 290 D I - 0 0 13 -12,-2.5 2,-0.7 -2,-0.6 -2,-0.0 -0.821 3.4-152.1 -93.1 120.3 34.3 24.2 -20.0 1228 291 D E - 0 0 81 -2,-0.6 -14,-0.1 -14,-0.1 -12,-0.0 -0.842 14.4-133.3 -96.4 109.5 35.4 27.6 -21.5 1229 292 D L - 0 0 2 -2,-0.7 2,-1.6 1,-0.1 -24,-0.1 -0.358 18.2-123.3 -59.2 139.4 37.9 29.5 -19.4 1230 293 D Q - 0 0 67 -25,-0.0 -1,-0.1 -2,-0.0 2,-0.1 -0.632 44.9-174.2 -90.8 76.4 36.9 33.2 -19.0 1231 294 D L - 0 0 20 -2,-1.6 2,-0.1 1,-0.1 -26,-0.0 -0.403 23.6-126.5 -78.7 148.3 40.2 34.5 -20.4 1232 295 D N > - 0 0 74 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.352 38.7-100.2 -83.4 169.5 41.3 38.2 -20.6 1233 296 D S H > S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.762 121.6 60.8 -75.2 -16.0 42.3 39.4 -24.0 1234 297 D E H > S+ 0 0 152 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.954 111.8 38.7 -67.3 -44.1 46.0 39.1 -23.3 1235 298 D E H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.942 112.8 58.0 -71.7 -42.8 45.5 35.3 -22.7 1236 299 D K H X S+ 0 0 59 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.856 99.7 57.9 -51.7 -38.9 43.0 35.1 -25.6 1237 300 D A H X S+ 0 0 50 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.906 105.7 49.9 -61.8 -40.4 45.7 36.5 -27.9 1238 301 D K H X S+ 0 0 99 -4,-1.2 4,-2.3 -3,-0.5 -1,-0.2 0.899 107.9 54.7 -57.7 -43.9 47.9 33.5 -26.9 1239 302 D F H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.900 106.1 49.9 -60.7 -41.9 45.0 31.2 -27.7 1240 303 D D H X S+ 0 0 69 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.800 107.8 55.8 -67.8 -26.6 44.6 32.6 -31.2 1241 304 D E H X S+ 0 0 101 -4,-1.2 4,-2.4 -5,-0.2 -2,-0.2 0.963 108.6 45.6 -69.3 -50.2 48.2 32.1 -31.8 1242 305 D A H X S+ 0 0 0 -4,-2.3 4,-2.1 -120,-0.2 -2,-0.2 0.928 115.2 48.1 -55.1 -46.0 48.0 28.4 -30.9 1243 306 D I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.921 107.7 54.7 -64.1 -48.1 44.8 28.0 -33.1 1244 307 D A H X S+ 0 0 58 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.928 108.4 49.8 -49.1 -50.4 46.5 29.8 -36.1 1245 308 D E H X S+ 0 0 54 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.955 109.6 50.8 -55.7 -47.0 49.3 27.4 -35.9 1246 309 D T H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.886 111.7 47.9 -56.4 -41.2 46.9 24.5 -35.8 1247 310 D K H X S+ 0 0 97 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.941 109.2 53.0 -65.9 -48.1 45.1 25.9 -38.9 1248 311 D R H X S+ 0 0 105 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.924 113.2 43.3 -54.6 -46.5 48.3 26.4 -40.7 1249 312 D M H >< S+ 0 0 26 -4,-2.8 3,-1.2 1,-0.2 4,-0.3 0.932 109.6 56.8 -70.2 -38.1 49.3 22.8 -40.2 1250 313 D K H >< S+ 0 0 54 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.862 100.8 58.9 -56.9 -38.5 45.8 21.6 -41.0 1251 314 D A H 3< S+ 0 0 85 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.750 104.4 52.0 -57.3 -29.9 46.1 23.3 -44.4 1252 315 D L T << 0 0 90 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.383 360.0 360.0 -91.7 5.5 49.2 21.1 -45.2 1253 316 D A < 0 0 43 -3,-1.4 -3,-0.1 -4,-0.3 -2,-0.1 0.418 360.0 360.0-121.0 360.0 47.5 17.8 -44.4