==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-AUG-10 3OM9 . COMPND 2 MOLECULE: LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR M.S.SUSKO,D.K.WILSON . 1310 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 979 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 9.3 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 . 101 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 485 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 4 4 0 0 3 0 0 7 4 0 8 4 0 4 0 0 0 1 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 8 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 . 8 12 0 4 0 0 0 0 2 2 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 14 A P 0 0 136 0, 0.0 2,-0.2 0, 0.0 620,-0.1 0.000 360.0 360.0 360.0 -32.4 12.5 -15.2 62.3 2 15 A A - 0 0 72 618,-0.1 2,-0.3 1,-0.1 0, 0.0 -0.490 360.0-114.1 -70.1 132.7 13.4 -11.8 60.7 3 16 A L + 0 0 70 -2,-0.2 617,-0.3 1,-0.2 3,-0.2 -0.504 41.8 164.9 -71.2 129.2 11.1 -9.0 61.8 4 17 A V + 0 0 64 615,-2.8 2,-0.7 -2,-0.3 616,-0.2 0.731 69.8 42.7-111.1 -42.3 9.1 -7.6 59.0 5 18 A Q S S- 0 0 13 614,-1.9 2,-0.4 581,-0.2 -1,-0.2 -0.854 73.1-170.1-112.8 96.1 6.4 -5.6 60.8 6 19 A R - 0 0 183 -2,-0.7 583,-0.1 -3,-0.2 3,-0.1 -0.678 27.1-113.9 -85.9 135.1 7.9 -3.6 63.6 7 20 A R - 0 0 31 -2,-0.4 25,-0.1 582,-0.1 -1,-0.1 -0.297 35.8-101.3 -64.6 152.5 5.4 -2.0 66.0 8 21 A K - 0 0 38 23,-0.4 25,-2.7 69,-0.1 2,-0.5 -0.394 36.6-142.8 -70.4 153.8 5.4 1.8 66.1 9 22 A K E -a 33 0A 39 67,-0.2 69,-2.0 23,-0.2 70,-1.5 -0.984 15.1-171.4-126.8 125.3 7.2 3.3 69.0 10 23 A V E -ab 34 79A 0 23,-2.4 25,-1.6 -2,-0.5 2,-0.5 -0.966 10.8-152.1-116.6 127.5 6.1 6.4 70.9 11 24 A A E -ab 35 80A 0 68,-2.4 70,-2.4 -2,-0.5 2,-1.0 -0.870 2.5-153.4-102.9 124.2 8.4 7.9 73.5 12 25 A M E -ab 36 81A 0 23,-3.1 25,-2.4 -2,-0.5 2,-1.3 -0.814 8.7-165.3 -96.2 97.3 6.8 9.9 76.4 13 26 A I E S+ab 37 82A 0 68,-1.7 70,-2.3 -2,-1.0 71,-1.6 -0.741 75.8 34.4 -86.7 99.0 9.5 12.4 77.4 14 27 A G S S- 0 0 3 23,-2.4 24,-0.2 -2,-1.3 23,-0.1 0.185 70.5-156.9 119.0 116.6 8.0 13.4 80.7 15 28 A S + 0 0 0 4,-0.1 23,-0.1 21,-0.1 32,-0.1 -0.101 52.5 113.9-116.1 35.9 6.2 10.7 82.7 16 29 A G S > S- 0 0 28 4,-0.1 4,-2.7 3,-0.0 5,-0.3 0.231 90.6 -50.0 -81.1-149.5 4.0 12.8 84.9 17 30 A M H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.936 140.2 36.9 -53.5 -56.2 0.2 12.9 84.7 18 31 A I H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.895 116.2 53.3 -67.0 -40.9 -0.1 13.5 80.9 19 32 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.943 113.2 42.6 -60.2 -48.6 2.9 11.3 80.0 20 33 A G H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.898 113.6 53.2 -64.9 -39.0 1.5 8.3 82.0 21 35 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.891 107.6 50.2 -64.4 -39.1 -2.0 9.0 80.6 22 36 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.882 108.5 53.0 -67.6 -35.9 -0.8 9.0 77.0 23 37 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.896 105.7 55.6 -63.7 -37.6 0.9 5.7 77.7 24 38 A Y H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.948 106.4 49.6 -58.8 -49.5 -2.4 4.4 79.0 25 39 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 6,-0.3 0.876 110.1 51.1 -58.3 -40.4 -4.1 5.3 75.7 26 40 A C H X>S+ 0 0 1 -4,-1.9 5,-2.0 2,-0.2 4,-0.7 0.929 113.9 43.2 -64.5 -44.5 -1.4 3.5 73.7 27 41 A A H <5S+ 0 0 0 -4,-2.4 3,-0.4 3,-0.2 -2,-0.2 0.886 113.5 52.1 -68.3 -39.3 -1.7 0.3 75.8 28 42 A L H <5S+ 0 0 24 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.875 120.9 32.4 -63.8 -39.1 -5.5 0.5 75.7 29 43 A R H <5S- 0 0 104 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.366 102.4-125.8 -99.9 3.0 -5.6 0.8 71.9 30 44 A E T <5 + 0 0 26 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.874 60.0 149.5 50.8 40.2 -2.5 -1.3 71.2 31 45 A L < - 0 0 28 -5,-2.0 -23,-0.4 -6,-0.3 2,-0.3 0.880 60.3 -36.7 -70.8 -41.4 -1.3 1.8 69.3 32 46 A A - 0 0 2 -6,-0.4 -1,-0.2 -25,-0.1 -23,-0.2 -0.984 68.8 -74.1-173.1 167.7 2.4 1.3 69.8 33 47 A D E -a 9 0A 36 -25,-2.7 -23,-2.4 -2,-0.3 2,-0.4 -0.490 53.7-141.7 -71.0 148.9 5.1 0.2 72.2 34 49 A V E -ac 10 64A 1 29,-3.5 31,-2.6 -25,-0.2 2,-0.4 -0.932 18.1-168.1-122.2 140.4 5.6 2.9 74.9 35 50 A V E -ac 11 65A 9 -25,-1.6 -23,-3.1 -2,-0.4 2,-0.5 -0.993 10.2-156.0-124.0 130.4 8.7 4.2 76.6 36 51 A L E +ac 12 66A 0 29,-2.7 31,-2.5 -2,-0.4 2,-0.4 -0.943 16.2 178.2-109.2 122.9 8.3 6.4 79.7 37 52 A Y E +a 13 0A 19 -25,-2.4 -23,-2.4 -2,-0.5 2,-0.3 -0.949 9.9 147.9-124.0 145.4 11.2 8.7 80.5 38 53 A D - 0 0 24 29,-0.4 -2,-0.0 -2,-0.4 -25,-0.0 -0.958 52.4-121.7-168.9 154.6 11.5 11.2 83.3 39 54 A V S S+ 0 0 113 -2,-0.3 2,-0.6 2,-0.1 -1,-0.1 0.736 93.6 90.5 -75.2 -21.0 14.2 12.7 85.5 40 55 A V S S- 0 0 73 -3,-0.1 2,-0.2 2,-0.0 -25,-0.0 -0.667 77.1-141.8 -78.4 119.7 12.3 11.4 88.4 41 56 A K S S+ 0 0 145 -2,-0.6 2,-1.0 1,-0.1 -2,-0.1 -0.586 74.2 14.9 -83.0 143.2 13.7 7.9 89.2 42 57 A G S >> S+ 0 0 14 -2,-0.2 4,-1.9 1,-0.1 3,-0.6 -0.502 106.6 76.4 97.6 -65.4 11.2 5.1 90.3 43 58 A M H 3> S+ 0 0 30 -2,-1.0 4,-2.4 1,-0.2 5,-0.2 0.879 92.9 53.1 -49.5 -47.7 7.9 6.6 89.4 44 59 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.894 109.8 49.3 -58.7 -37.7 8.3 6.0 85.6 45 60 A E H <> S+ 0 0 50 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.860 108.8 52.4 -69.2 -34.8 9.0 2.3 86.3 46 61 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.933 113.4 43.9 -65.6 -44.1 6.0 2.0 88.6 47 62 A K H X S+ 0 0 12 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.865 110.3 54.6 -68.3 -38.1 3.8 3.4 85.9 48 63 A A H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.917 111.3 45.9 -63.1 -41.4 5.3 1.3 83.1 49 64 A L H X S+ 0 0 16 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.959 112.5 50.1 -63.8 -48.9 4.6 -1.8 85.2 50 65 A D H X S+ 0 0 1 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.924 114.4 45.5 -54.5 -46.6 1.0 -0.6 85.9 51 66 A L H X S+ 0 0 0 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.867 107.6 55.9 -67.1 -37.8 0.6 0.0 82.2 52 67 A S H X S+ 0 0 14 -4,-2.5 4,-0.8 1,-0.2 3,-0.2 0.876 105.7 53.9 -62.1 -34.9 2.1 -3.3 81.1 53 68 A H H >X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 3,-0.5 0.839 99.7 62.2 -66.9 -34.1 -0.5 -4.9 83.4 54 69 A V H 3X S+ 0 0 0 -4,-1.2 4,-2.8 1,-0.2 5,-0.2 0.891 92.9 63.0 -59.1 -40.7 -3.3 -3.1 81.5 55 70 A T H 3<>S+ 0 0 0 -4,-1.3 5,-2.8 1,-0.2 4,-0.3 0.877 105.5 46.7 -54.5 -38.3 -2.4 -4.8 78.3 56 71 A S H X<5S+ 0 0 0 -4,-0.8 3,-1.2 -3,-0.5 -1,-0.2 0.951 111.2 50.8 -67.5 -49.6 -3.3 -8.1 79.9 57 72 A V H 3<5S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.890 120.3 34.4 -55.7 -43.4 -6.6 -6.8 81.3 58 73AA V T 3<5S- 0 0 31 -4,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.274 111.2-117.3 -99.1 11.8 -7.7 -5.3 78.0 59 73BA D T < 5 + 0 0 36 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.2 0.886 68.4 127.6 57.8 47.1 -6.2 -8.1 75.8 60 74 A T < - 0 0 13 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.2 -0.787 49.5-139.3-122.5 168.7 -3.7 -6.0 73.8 61 75 A N + 0 0 7 -2,-0.3 2,-0.3 773,-0.1 773,-0.1 -0.808 42.2 129.0-138.6 99.1 0.0 -6.5 73.3 62 76 A V - 0 0 2 -2,-0.4 2,-0.5 -10,-0.1 -29,-0.1 -0.949 54.7-113.3-138.4 153.6 2.4 -3.6 73.3 63 77 A S - 0 0 45 -2,-0.3 -29,-3.5 -8,-0.0 2,-0.5 -0.807 26.8-170.1 -92.9 128.1 5.6 -3.2 75.3 64 78 A V E +c 34 0A 12 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.977 18.0 164.1-120.2 114.8 5.6 -0.5 78.0 65 79 A R E -c 35 0A 139 -31,-2.6 -29,-2.7 -2,-0.5 2,-0.4 -0.960 34.5-133.2-133.2 149.2 9.0 0.2 79.5 66 80 A A E -c 36 0A 11 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.784 24.5-170.6 -95.9 144.5 10.6 2.9 81.6 67 81 A E - 0 0 34 -31,-2.5 -29,-0.4 -2,-0.4 -2,-0.0 -0.997 15.0-165.3-136.2 132.2 13.9 4.1 80.3 68 83 A Y + 0 0 70 -2,-0.4 2,-0.3 -31,-0.1 -1,-0.1 0.543 68.7 71.8 -98.3 -5.5 16.2 6.5 82.3 69 84 A S S > S- 0 0 58 1,-0.1 4,-2.0 -32,-0.0 5,-0.2 -0.837 78.0-131.5-108.3 147.9 18.6 7.5 79.5 70 85 A Y H > S+ 0 0 29 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.907 107.4 55.7 -60.4 -40.9 17.7 9.8 76.7 71 86AA E H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 109.0 42.5 -58.9 -51.4 19.2 7.3 74.2 72 86BA A H 4 S+ 0 0 33 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.889 118.3 47.8 -64.7 -37.5 17.2 4.3 75.3 73 87 A A H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.894 121.0 33.0 -70.7 -40.7 14.0 6.4 75.4 74 88 A L H >< S+ 0 0 0 -4,-2.9 3,-2.1 -5,-0.2 -2,-0.2 0.776 86.5 106.1 -90.7 -30.4 14.4 8.2 72.1 75 89 A T T 3< S+ 0 0 63 -4,-2.4 46,-0.2 -5,-0.3 3,-0.1 -0.255 95.9 5.0 -55.3 133.7 16.1 5.7 69.8 76 90 A G T 3 S+ 0 0 56 44,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.524 88.8 154.7 70.7 6.5 13.7 4.2 67.2 77 91 A A < - 0 0 4 -3,-2.1 -1,-0.2 1,-0.2 -67,-0.2 -0.552 30.9-167.4 -72.9 117.3 10.9 6.5 68.3 78 92 A D S S+ 0 0 38 -69,-2.0 47,-1.3 -2,-0.5 2,-0.3 0.805 81.2 14.0 -71.0 -30.2 8.4 7.0 65.5 79 93 A C E -bd 10 125A 0 -70,-1.5 -68,-2.4 45,-0.2 2,-0.5 -0.994 67.0-157.1-147.7 140.7 6.9 9.8 67.5 80 94 A V E -bd 11 126A 0 45,-2.3 47,-3.0 -2,-0.3 2,-0.6 -0.983 5.8-165.8-123.3 120.6 8.0 11.8 70.6 81 95 A I E -bd 12 127A 1 -70,-2.4 -68,-1.7 -2,-0.5 2,-0.7 -0.932 11.5-154.3-109.7 117.8 5.5 13.5 72.8 82 96 A V E +bd 13 128A 0 45,-2.3 47,-2.6 -2,-0.6 48,-1.9 -0.825 36.6 145.8-103.0 113.9 7.1 16.0 75.3 83 97 A T + 0 0 21 -70,-2.3 -69,-0.2 -2,-0.7 48,-0.1 0.290 30.6 134.4-119.8 1.0 5.4 16.9 78.5 84 98 A A + 0 0 17 -71,-1.6 2,-0.2 -70,-0.1 -70,-0.1 -0.342 44.1 68.4 -56.8 126.9 8.5 17.3 80.6 85 99 A G S S- 0 0 39 45,-0.1 2,-0.2 -2,-0.1 21,-0.1 -0.832 82.4 -55.9 148.6 173.7 8.2 20.5 82.6 86 100 A L - 0 0 62 -2,-0.2 45,-0.3 16,-0.2 3,-0.1 -0.541 26.5-164.5 -83.6 151.2 6.5 22.4 85.5 87 101 A T S S+ 0 0 62 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.697 75.1 16.7-103.7 -30.7 2.7 22.9 85.7 88 102 A K S S- 0 0 36 9,-0.1 -1,-0.3 13,-0.1 6,-0.0 -0.996 79.8-108.9-145.1 147.1 2.6 25.6 88.3 89 103AA V > - 0 0 31 -2,-0.3 3,-1.3 9,-0.1 13,-0.1 -0.631 48.0-108.1 -76.1 125.5 5.1 28.1 89.8 90 103BA P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.302 99.6 10.8 -56.5 132.1 5.8 27.1 93.3 91 103CA G T 3 S+ 0 0 86 1,-0.3 -2,-0.0 -3,-0.0 0, 0.0 -0.034 93.1 122.2 92.1 -32.1 4.2 29.4 95.8 92 103DA K < - 0 0 83 -3,-1.3 -1,-0.3 1,-0.1 5,-0.1 -0.444 68.6-112.2 -68.2 133.1 2.0 31.3 93.4 93 103EA P > - 0 0 65 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 -0.300 21.1-117.7 -64.4 150.9 -1.7 31.2 94.2 94 105AA D G > S+ 0 0 48 1,-0.3 3,-1.4 2,-0.2 140,-0.1 0.750 111.4 68.3 -60.4 -25.1 -4.0 29.3 91.9 95 105BA S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 138,-0.1 139,-0.0 0.738 102.7 45.4 -67.5 -21.7 -5.9 32.4 91.1 96 106 A E G < S+ 0 0 96 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.136 78.2 148.3-108.2 19.1 -2.8 33.8 89.3 97 107 A W < + 0 0 37 -3,-1.4 2,-0.4 133,-0.1 133,-0.1 -0.342 18.5 171.6 -57.4 125.7 -2.0 30.7 87.3 98 108 A S > - 0 0 29 1,-0.1 3,-0.8 -2,-0.1 4,-0.5 -0.981 35.0-147.0-142.7 127.0 -0.4 31.7 84.0 99 109 A R G > S+ 0 0 11 -2,-0.4 3,-1.1 1,-0.2 4,-0.2 0.817 99.9 61.2 -61.7 -31.3 1.2 29.5 81.4 100 110 A N G > S+ 0 0 53 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.818 90.7 66.5 -66.8 -30.1 3.7 32.2 80.5 101 111 A D G < S+ 0 0 58 -3,-0.8 4,-0.3 1,-0.3 -1,-0.3 0.749 92.3 65.0 -61.6 -22.0 5.1 32.3 84.1 102 112 A L G X> S+ 0 0 2 -3,-1.1 4,-1.9 -4,-0.5 3,-0.9 0.620 75.1 93.9 -77.0 -12.1 6.4 28.8 83.3 103 113 A L H <> S+ 0 0 22 -3,-1.9 4,-2.4 1,-0.3 3,-0.4 0.894 84.1 45.8 -48.2 -54.9 8.8 30.0 80.6 104 114 A P H 34 S+ 0 0 92 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.771 115.5 49.7 -64.2 -22.4 11.9 30.4 82.8 105 115 A F H <4 S+ 0 0 85 -3,-0.9 4,-0.3 -4,-0.3 -2,-0.2 0.769 121.7 28.2 -85.9 -26.9 11.3 27.0 84.3 106 116 A N H X S+ 0 0 1 -4,-1.9 4,-2.4 -3,-0.4 5,-0.2 0.676 94.7 83.6-110.5 -19.1 10.7 25.0 81.1 107 117 A S H X S+ 0 0 30 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.900 95.9 45.4 -52.4 -48.5 12.7 26.6 78.3 108 118 A K H > S+ 0 0 136 -4,-0.3 4,-2.4 -5,-0.2 -1,-0.2 0.907 111.7 52.3 -64.0 -42.6 16.0 24.9 79.2 109 119 A I H > S+ 0 0 38 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.921 110.7 47.1 -59.3 -46.7 14.4 21.5 79.6 110 120 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.910 110.8 51.7 -64.1 -43.1 12.7 21.6 76.2 111 121 A R H X S+ 0 0 41 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.937 110.4 49.2 -58.2 -48.2 15.9 22.8 74.5 112 122 A E H X S+ 0 0 80 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.911 109.9 49.8 -58.1 -47.7 17.9 19.9 76.0 113 123 A I H X S+ 0 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31.3 66.5 194 203 A V G > S+ 0 0 33 -2,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.862 75.0 57.9 -56.1 -40.6 -17.4 31.7 67.4 195 204 A R G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.2 10,-0.2 0.797 105.4 51.9 -62.3 -28.0 -18.2 32.9 63.8 196 205 A Y G < S+ 0 0 20 -3,-1.0 -1,-0.3 -15,-0.2 -2,-0.2 0.507 77.9 127.9 -88.2 -6.4 -16.9 29.6 62.4 197 206 A I < + 0 0 1 -3,-1.2 7,-2.4 -4,-0.5 2,-0.3 -0.253 35.1 179.3 -55.9 131.8 -18.8 27.2 64.7 198 207 A T E -JK 179 203B 9 -19,-1.9 -19,-2.9 5,-0.2 2,-0.6 -0.965 31.3-143.4-136.4 152.2 -20.7 24.6 62.7 199 208 A V E > S-JK 178 202B 1 3,-2.6 3,-2.4 -2,-0.3 -21,-0.2 -0.960 95.4 -30.2-113.0 104.2 -23.0 21.7 63.5 200 209AA N T 3 S- 0 0 11 -23,-1.6 -1,-0.1 -2,-0.6 -22,-0.1 0.882 129.6 -44.6 48.3 43.1 -22.0 19.1 60.9 201 209BA G T 3 S+ 0 0 4 1,-0.3 -1,-0.3 -24,-0.1 967,-0.1 0.253 111.6 124.4 90.7 -13.8 -21.1 21.9 58.6 202 209CA Y E < -K 199 0B 1 -3,-2.4 -3,-2.6 1,-0.1 -1,-0.3 -0.708 68.4-109.2 -85.0 126.6 -24.3 24.0 59.3 203 209DA P E >> -K 198 0B 42 0, 0.0 3,-1.1 0, 0.0 4,-0.6 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T 3X S+ 0 0 54 -4,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.217 84.5 105.6-103.5 15.3 -19.6 -30.3 59.6 558 235 B S H <> S+ 0 0 0 -3,-1.3 4,-1.9 -4,-0.4 5,-0.2 0.837 77.5 56.8 -62.9 -33.6 -20.3 -26.6 60.2 559 236 B G H > S+ 0 0 5 -4,-0.4 4,-2.3 -3,-0.3 12,-0.2 0.960 110.0 41.6 -62.9 -52.2 -19.0 -25.7 56.8 560 237 B G H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.854 109.6 60.9 -64.0 -33.9 -21.4 -28.0 54.9 561 238 B E H X S+ 0 0 48 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.926 108.8 42.2 -58.4 -45.0 -24.2 -26.9 57.2 562 239 B I H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.914 111.6 55.0 -68.4 -43.5 -23.8 -23.3 56.1 563 240 B V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.937 111.0 45.4 -54.7 -49.5 -23.4 -24.3 52.4 564 241 B R H < S+ 0 0 108 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.867 114.5 48.3 -63.9 -37.3 -26.7 -26.2 52.6 565 242AB F H < S+ 0 0 57 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.910 113.5 46.8 -69.4 -42.3 -28.5 -23.3 54.4 566 242BB L H < S- 0 0 26 -4,-3.2 2,-0.8 1,-0.1 -2,-0.2 0.836 83.9-156.4 -70.6 -35.3 -27.2 -20.6 52.0 567 242CB G S < S+ 0 0 35 -4,-2.1 2,-0.4 -5,-0.3 -1,-0.1 -0.135 75.2 54.8 84.9 -43.4 -28.0 -22.4 48.8 568 243 B Q S S- 0 0 167 -2,-0.8 -3,-0.0 2,-0.0 0, 0.0 -0.982 110.9 -21.2-126.7 138.1 -25.3 -20.4 47.0 569 244 B G S S- 0 0 23 -2,-0.4 2,-0.2 -3,-0.0 -2,-0.2 -0.130 77.4 -93.8 64.8-161.2 -21.7 -20.0 47.9 570 245 B S - 0 0 27 1,-0.1 -10,-0.1 -4,-0.1 -11,-0.1 -0.800 53.4 -43.3-143.0-176.4 -20.3 -20.7 51.4 571 246 B A + 0 0 11 -12,-0.2 -1,-0.1 -2,-0.2 -223,-0.1 -0.142 51.7 154.7 -54.9 143.9 -19.4 -19.0 54.7 572 247 B Y > + 0 0 16 -225,-0.1 4,-2.5 3,-0.1 5,-0.2 0.557 55.3 68.9-142.7 -27.4 -17.7 -15.7 54.6 573 248 B Y H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.940 111.4 33.7 -65.4 -49.0 -18.2 -13.5 57.7 574 249 B A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.884 118.4 53.7 -74.3 -39.7 -16.3 -15.7 60.1 575 250 B P H > S+ 0 0 7 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.949 112.3 45.2 -59.2 -46.1 -13.7 -16.7 57.4 576 251 B A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.910 112.9 49.7 -62.1 -45.2 -13.0 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57.8 -74.7-157.4 167.8 -3.6 -22.1 61.3 597 272 B S E +RT 483 612D 0 -114,-2.7 -114,-1.7 -2,-0.3 2,-0.3 -0.604 63.2 170.1 -74.0 111.1 -2.1 -24.1 58.4 598 273 B V E - T 0 611D 0 13,-2.2 13,-1.6 -2,-0.7 2,-0.2 -0.848 39.8 -89.4-124.8 160.4 1.6 -23.8 58.9 599 274 B Y E - T 0 610D 48 -121,-0.5 2,-0.5 -118,-0.4 11,-0.2 -0.478 39.6-143.9 -69.2 129.9 4.8 -25.3 57.5 600 275 B C E + T 0 609D 0 9,-3.1 8,-0.7 -2,-0.2 9,-0.7 -0.837 26.0 170.3 -99.9 129.9 5.9 -28.5 59.4 601 276 B N E S- T 0 607D 102 -2,-0.5 6,-0.2 6,-0.2 -1,-0.1 -0.370 85.2 -35.2-131.0 50.8 9.6 -29.2 59.8 602 277 B G S > S+ 0 0 29 4,-3.0 3,-2.0 1,-0.4 5,-0.1 0.015 96.0 135.0 123.2 -28.1 9.4 -32.1 62.3 603 278 B E G > S- 0 0 44 1,-0.3 3,-3.2 2,-0.2 -1,-0.4 -0.216 84.5 -2.0 -57.2 141.1 6.4 -31.2 64.4 604 279 B Y G 3 S- 0 0 39 1,-0.3 -1,-0.3 24,-0.1 -4,-0.0 0.635 130.6 -67.5 53.2 12.0 4.0 -34.0 65.1 605 280 B G G < S+ 0 0 66 -3,-2.0 -1,-0.3 1,-0.3 2,-0.3 0.566 101.3 134.5 86.7 11.7 6.3 -36.0 62.9 606 281 B L < - 0 0 15 -3,-3.2 -4,-3.0 3,-0.0 2,-0.3 -0.678 31.6-171.6 -99.3 149.7 5.5 -34.1 59.7 607 282 B K E + T 0 601D 128 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.981 59.2 1.3-139.9 149.6 7.9 -32.7 57.1 608 283 B D E S+ 0 0 103 -8,-0.7 2,-0.3 -2,-0.3 -1,-0.1 0.839 105.5 89.1 44.1 48.6 7.7 -30.5 54.0 609 285 B M E - T 0 600D 8 -9,-0.7 -9,-3.1 -3,-0.1 2,-0.4 -0.987 68.6-119.1-162.4 164.8 4.0 -29.9 54.2 610 286 B F E + T 0 599D 1 -146,-0.3 2,-0.3 -2,-0.3 -11,-0.2 -0.891 33.9 156.4-114.0 142.7 1.4 -27.5 55.7 611 287 B I E - T 0 598D 0 -13,-1.6 -13,-2.2 -2,-0.4 2,-0.4 -0.979 49.7 -81.5-159.1 154.5 -1.4 -28.5 58.2 612 288 B G E +ST 514 597D 0 -98,-1.6 -98,-3.1 -2,-0.3 -15,-0.3 -0.453 62.0 147.4 -65.4 117.1 -3.5 -26.8 60.8 613 289 B L E - T 0 596D 0 -17,-2.5 -17,-2.5 -2,-0.4 2,-0.2 -0.969 55.5 -86.3-145.5 158.1 -1.6 -26.4 64.1 614 290 B P E + T 0 595D 0 0, 0.0 12,-2.9 0, 0.0 2,-0.3 -0.481 59.5 168.2 -67.2 135.2 -1.5 -23.9 66.9 615 291 B A E -UT 625 594D 0 -21,-0.5 -21,-2.6 10,-0.2 2,-0.5 -0.967 37.6-117.6-147.5 163.2 0.9 -21.2 66.1 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27.8-139.5-112.7 117.5 4.5 -23.8 65.8 626 303 B I - 0 0 5 -12,-2.9 2,-0.7 -2,-0.6 -2,-0.0 -0.661 8.6-154.0 -82.6 126.1 3.0 -25.3 69.0 627 304 B E - 0 0 67 -2,-0.4 2,-0.2 -14,-0.1 243,-0.1 -0.884 12.4-155.4-103.3 112.4 3.3 -29.1 69.4 628 305 B L - 0 0 7 -2,-0.7 2,-1.2 1,-0.1 -24,-0.1 -0.560 23.0-114.4 -85.1 150.7 0.6 -30.4 71.6 629 306 B E - 0 0 88 -2,-0.2 2,-0.2 -25,-0.0 -1,-0.1 -0.724 41.3-164.5 -85.8 94.9 1.0 -33.7 73.6 630 307 B L - 0 0 23 -2,-1.2 2,-0.1 1,-0.1 -3,-0.0 -0.583 7.3-139.2 -84.9 143.9 -1.7 -35.8 71.8 631 308 B N > - 0 0 61 -2,-0.2 4,-2.6 1,-0.0 5,-0.3 -0.241 39.6 -80.2 -89.3-175.8 -2.9 -39.1 73.3 632 309 B E H > S+ 0 0 171 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.937 128.0 40.2 -51.3 -60.2 -3.7 -42.3 71.5 633 310 B E H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 115.5 51.9 -59.9 -40.6 -7.1 -41.4 70.1 634 311 B E H > S+ 0 0 10 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.904 109.0 50.0 -64.4 -40.2 -6.1 -37.9 69.2 635 312 B K H X S+ 0 0 125 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.837 109.5 53.2 -66.9 -30.1 -3.1 -39.1 67.3 636 313 B K H X S+ 0 0 134 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.938 112.0 43.5 -68.6 -47.0 -5.3 -41.5 65.5 637 314 B Q H X S+ 0 0 36 -4,-2.4 4,-1.9 1,-0.2 3,-0.3 0.938 114.3 50.6 -62.5 -47.1 -7.7 -38.7 64.5 638 315 B F H X S+ 0 0 12 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.878 105.9 56.4 -59.5 -38.2 -4.7 -36.4 63.6 639 316 B Q H X S+ 0 0 91 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.884 106.4 49.0 -62.7 -38.9 -3.2 -39.2 61.5 640 317 B K H X S+ 0 0 87 -4,-1.6 4,-1.8 -3,-0.3 -1,-0.2 0.873 110.0 52.0 -67.1 -36.0 -6.4 -39.4 59.4 641 318 B S H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.923 110.9 48.4 -64.4 -42.3 -6.3 -35.6 59.0 642 319 B V H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.908 107.8 53.9 -63.2 -44.4 -2.7 -36.0 57.8 643 320 B D H X S+ 0 0 77 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.861 105.0 57.0 -59.1 -37.0 -3.6 -38.8 55.4 644 321 B D H X S+ 0 0 26 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.977 113.2 36.3 -58.4 -58.5 -6.2 -36.5 53.9 645 322 B V H X S+ 0 0 2 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.864 114.9 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52.2 -68.7 -40.8 -14.6 20.0 40.4 1205 225 D L H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.888 109.2 50.6 -62.4 -38.1 -17.0 20.3 43.4 1206 226 D E H X S+ 0 0 92 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.853 109.0 50.9 -67.9 -34.0 -19.9 20.3 41.0 1207 227 D E H X S+ 0 0 113 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.886 109.8 50.9 -69.2 -37.8 -18.5 17.2 39.3 1208 228 D I H X S+ 0 0 20 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.919 108.6 51.6 -64.2 -42.4 -18.2 15.6 42.8 1209 229 D A H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.912 112.0 46.3 -60.9 -42.5 -21.9 16.6 43.5 1210 230 D E H X S+ 0 0 94 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.945 111.2 51.1 -65.4 -47.1 -22.9 14.9 40.2 1211 231 D H H < S+ 0 0 57 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.904 107.7 54.9 -55.5 -42.4 -20.8 11.8 41.0 1212 232 D T H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 4,-0.4 0.943 106.4 51.0 -55.8 -49.9 -22.5 11.7 44.4 1213 233 D K H 3< S+ 0 0 35 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.861 117.5 37.8 -57.6 -40.5 -26.0 11.7 42.8 1214 234 D V T 3X S+ 0 0 73 -4,-1.9 4,-2.0 1,-0.2 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1312 331 D L H << 0 0 104 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.796 360.0 360.0 -88.4 -33.1 -51.8 1.3 44.6 1313 332 D Q < 0 0 74 -4,-2.3 -1,-0.2 -5,-0.1 -218,-0.0 -0.939 360.0 360.0-153.8 360.0 -52.7 0.3 48.1