==== 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 06-JAN-06 2FM3 . COMPND 2 MOLECULE: LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM; . AUTHOR D.CHATTOPADHYAY,O.A.SENKOVICH . 634 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 9.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 1 0.2 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 . 55 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 0 2 0 0 0 0 0 4 0 0 2 4 0 2 0 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 2 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 . 4 6 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 1 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 17 A M 0 0 199 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.5 30.9 60.7 98.1 2 18 A I - 0 0 151 1,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.075 360.0-174.7 -39.9 123.5 29.1 57.6 96.9 3 19 A E - 0 0 138 3,-0.0 3,-0.1 0, 0.0 -1,-0.0 -0.975 30.7-105.3-125.7 140.1 27.3 58.3 93.6 4 20 A R - 0 0 120 -2,-0.4 2,-0.2 1,-0.1 25,-0.1 -0.334 38.0-109.8 -63.5 145.9 25.0 55.7 91.9 5 21 A R - 0 0 133 23,-0.2 25,-2.6 68,-0.1 2,-0.4 -0.510 38.5-157.1 -72.2 153.8 26.5 54.0 88.9 6 22 A K E -a 30 0A 46 23,-0.3 68,-2.2 66,-0.2 69,-1.5 -0.993 13.2-167.9-140.7 128.9 24.7 55.2 85.7 7 23 A I E -ab 31 75A 0 23,-3.2 25,-2.2 -2,-0.4 2,-0.5 -0.967 10.0-151.6-118.8 131.3 24.4 53.6 82.3 8 24 A A E -ab 32 76A 0 67,-2.8 69,-3.2 -2,-0.5 2,-0.7 -0.879 5.0-161.3-101.9 126.9 23.1 55.4 79.2 9 25 A V E -ab 33 77A 0 23,-2.8 25,-3.1 -2,-0.5 2,-1.0 -0.923 5.6-159.0-106.5 107.4 21.4 53.3 76.6 10 26 A I E S+ab 34 78A 2 67,-2.2 69,-2.5 -2,-0.7 70,-1.5 -0.751 71.2 30.4 -89.7 102.5 21.3 55.1 73.2 11 27 A G - 0 0 7 23,-3.3 24,-0.2 -2,-1.0 23,-0.1 0.287 66.1-152.2 115.8 113.3 18.5 53.6 71.2 12 28 A S + 0 0 0 4,-0.1 32,-0.1 21,-0.1 23,-0.1 -0.169 53.9 114.4-112.3 42.4 15.5 52.1 72.9 13 29 A G S > S- 0 0 34 66,-0.1 4,-2.2 4,-0.0 5,-0.3 0.246 89.0 -46.6 -83.2-147.3 14.5 49.5 70.5 14 30 A Q H > S+ 0 0 81 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.911 139.5 34.5 -55.6 -48.7 14.5 45.7 71.0 15 31 A I H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.942 115.1 54.9 -76.4 -47.7 18.0 45.5 72.5 16 32 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.869 108.0 49.9 -50.8 -43.0 18.0 48.8 74.4 17 33 A G H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.906 110.8 47.8 -67.3 -42.3 14.9 48.0 76.3 18 35 A N H X S+ 0 0 4 -4,-1.2 4,-2.4 -5,-0.3 5,-0.3 0.872 108.8 55.6 -67.6 -32.8 16.0 44.6 77.4 19 36 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.969 109.6 45.8 -62.0 -48.1 19.3 46.1 78.5 20 37 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.904 112.4 52.2 -58.1 -42.0 17.5 48.6 80.7 21 38 A Y H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.921 113.6 41.2 -61.7 -48.5 15.3 45.8 82.1 22 39 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.905 113.9 51.9 -66.9 -44.2 18.2 43.5 83.0 23 40 A V H <>S+ 0 0 0 -4,-2.8 5,-2.2 -5,-0.3 6,-0.5 0.931 114.4 44.1 -59.7 -43.9 20.4 46.3 84.4 24 41 A G H ><5S+ 0 0 0 -4,-2.3 3,-1.1 -5,-0.3 35,-0.4 0.920 110.7 53.4 -69.0 -41.7 17.5 47.4 86.6 25 42 A K H 3<5S+ 0 0 34 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.935 113.7 43.4 -58.4 -43.4 16.6 43.9 87.6 26 43 A D T 3<5S- 0 0 58 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.532 104.0-131.4 -79.2 -0.7 20.2 43.4 88.7 27 44 A N T < 5 + 0 0 86 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.908 60.6 143.3 51.8 38.5 20.4 46.8 90.4 28 45 A L < - 0 0 19 -5,-2.2 2,-0.3 1,-0.2 -23,-0.2 0.840 68.4 -32.6 -75.6 -33.9 23.7 47.2 88.5 29 46 A A - 0 0 6 -6,-0.5 2,-0.3 -25,-0.1 -23,-0.3 -0.959 68.0 -83.6-168.3 175.4 23.1 51.0 87.8 30 47 A D E -a 6 0A 30 -25,-2.6 -23,-3.2 -2,-0.3 2,-0.4 -0.705 51.4-142.3 -88.0 153.9 20.5 53.6 87.2 31 49 A V E -ac 7 61A 2 29,-2.6 31,-2.0 -2,-0.3 2,-0.5 -0.944 17.4-160.5-124.5 143.6 19.7 53.6 83.5 32 50 A V E -ac 8 62A 9 -25,-2.2 -23,-2.8 -2,-0.4 2,-0.7 -0.970 13.6-157.0-120.2 109.8 18.9 56.4 81.0 33 51 A L E -ac 9 63A 0 29,-3.4 31,-2.4 -2,-0.5 2,-0.4 -0.825 15.4-169.3 -91.6 113.1 17.0 55.1 77.9 34 52 A F E +ac 10 64A 9 -25,-3.1 -23,-3.3 -2,-0.7 2,-0.3 -0.815 16.5 150.9-105.3 134.9 17.6 57.6 75.1 35 53 A D - 0 0 29 29,-2.0 4,-0.1 -2,-0.4 -25,-0.0 -0.979 44.0-139.7-155.6 155.0 15.8 57.6 71.7 36 54 A I S S+ 0 0 150 -2,-0.3 2,-0.4 2,-0.1 29,-0.1 0.617 80.1 97.7 -89.6 -15.5 14.8 60.2 69.1 37 55 A A S S- 0 0 40 1,-0.1 3,-0.2 -3,-0.0 -2,-0.1 -0.611 85.4-110.0 -77.5 131.4 11.4 58.4 68.6 38 56 A E S S- 0 0 130 -2,-0.4 2,-0.9 1,-0.2 -1,-0.1 -0.284 87.5 -7.4 -63.1 135.3 8.7 60.0 70.6 39 57 A G S > S+ 0 0 0 1,-0.1 4,-3.4 -4,-0.1 5,-0.3 -0.031 103.0 101.8 75.0 -34.1 7.3 58.2 73.6 40 58 A I H > S+ 0 0 36 -2,-0.9 4,-2.3 -3,-0.2 5,-0.3 0.947 86.5 38.2 -52.2 -63.0 9.2 54.8 73.1 41 59 A P H > S+ 0 0 0 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.931 117.9 52.6 -58.2 -40.8 11.9 55.3 75.7 42 60 A Q H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.923 109.9 47.3 -61.6 -41.6 9.4 56.9 78.1 43 61 A G H X S+ 0 0 0 -4,-3.4 4,-2.2 501,-0.3 -1,-0.2 0.927 115.1 45.5 -66.7 -40.9 7.0 54.1 77.8 44 62 A K H X S+ 0 0 15 -4,-2.3 4,-3.0 -5,-0.3 5,-0.3 0.934 111.9 51.8 -67.4 -43.1 9.6 51.4 78.3 45 63 A A H X S+ 0 0 3 -4,-3.5 4,-2.5 -5,-0.3 -1,-0.2 0.870 112.1 46.5 -62.6 -35.9 11.2 53.3 81.2 46 64 A L H X S+ 0 0 45 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.908 113.0 48.3 -72.1 -43.3 7.8 53.5 83.0 47 65 A D H X S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.2 3,-0.3 0.978 115.6 44.3 -59.6 -51.6 6.9 49.9 82.4 48 66 A I H >X S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 4,-1.1 0.921 106.9 61.2 -61.8 -38.9 10.4 48.8 83.7 49 67 A T H >X S+ 0 0 26 -4,-2.5 3,-1.3 -5,-0.3 4,-0.6 0.923 101.5 53.7 -52.3 -46.4 10.1 51.3 86.6 50 68 A H H 3< S+ 0 0 1 -4,-2.0 4,-0.4 -3,-0.3 -1,-0.3 0.765 104.9 53.9 -60.7 -29.5 7.0 49.4 87.8 51 69 A S H S+ 0 0 10 -3,-1.3 5,-2.3 -4,-1.1 4,-0.7 0.931 89.8 47.4 -56.6 -51.1 11.6 47.4 90.0 53 71 A V H <5S+ 0 0 8 -4,-0.6 3,-0.4 1,-0.2 -1,-0.3 0.827 109.6 56.8 -58.9 -30.1 9.8 46.9 93.2 54 72 A M H 45S+ 0 0 12 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.917 111.2 41.5 -69.2 -36.6 9.0 43.3 92.0 55 73AA F H <5S- 0 0 39 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.462 113.9-118.7 -85.2 -4.4 12.7 42.6 91.6 56 73BA G T <5 + 0 0 46 -4,-0.7 2,-0.3 -3,-0.4 -3,-0.2 0.755 67.7 140.9 70.8 23.2 13.5 44.3 94.8 57 74 A S < - 0 0 5 -5,-2.3 -1,-0.2 -6,-0.2 427,-0.1 -0.755 46.2-161.5-101.2 149.7 15.7 46.8 93.0 58 75 A T + 0 0 51 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 0.206 47.5 135.7-109.6 12.0 16.0 50.6 93.7 59 76 A S - 0 0 6 -35,-0.4 2,-0.4 -7,-0.1 -29,-0.2 -0.322 51.3-135.1 -60.2 141.9 17.5 51.3 90.3 60 77 A K - 0 0 121 -8,-0.0 -29,-2.6 2,-0.0 2,-0.5 -0.844 20.6-171.9 -99.8 133.0 16.0 54.4 88.6 61 78 A V E +c 31 0A 3 -2,-0.4 2,-0.3 -31,-0.2 -12,-0.2 -0.956 8.9 173.4-129.6 114.7 15.1 54.0 84.9 62 79 A I E -c 32 0A 80 -31,-2.0 -29,-3.4 -2,-0.5 2,-0.3 -0.864 23.4-136.6-122.9 155.4 14.0 57.0 82.9 63 80 A G E +c 33 0A 20 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.855 32.3 160.0-106.1 143.3 13.3 57.7 79.2 64 81 A T E -c 34 0A 7 -31,-2.4 -29,-2.0 -2,-0.3 3,-0.0 -0.970 41.7-154.6-156.5 167.1 14.5 60.8 77.3 65 83 A N S S+ 0 0 108 -2,-0.3 2,-0.5 -31,-0.2 -31,-0.1 0.086 74.2 93.7-132.4 20.7 15.3 62.4 74.0 66 84 A D > - 0 0 71 1,-0.1 3,-1.9 0, 0.0 4,-0.2 -0.940 63.5-151.5-124.1 119.3 17.8 64.8 75.3 67 85 A Y G > S+ 0 0 38 -2,-0.5 3,-2.3 1,-0.3 4,-0.2 0.769 91.2 75.7 -58.7 -21.8 21.5 64.1 75.4 68 86 A A G > S+ 0 0 32 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.839 85.0 65.0 -59.5 -31.8 21.8 66.3 78.4 69 87 A D G < S+ 0 0 71 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.555 91.9 62.4 -68.4 -8.8 20.3 63.6 80.5 70 88 A I G X S+ 0 0 0 -3,-2.3 3,-1.8 -4,-0.2 -1,-0.3 0.394 73.1 126.2 -97.4 6.4 23.3 61.2 79.8 71 89 A S T < S+ 0 0 56 -3,-1.6 41,-0.2 1,-0.3 3,-0.1 -0.319 73.9 22.3 -62.3 145.7 25.8 63.5 81.5 72 90 A G T 3 S+ 0 0 57 39,-1.1 -1,-0.3 1,-0.3 -66,-0.2 0.537 85.7 157.9 76.3 3.6 27.9 61.7 84.1 73 91 A S < - 0 0 6 -3,-1.8 -1,-0.3 38,-0.2 -66,-0.2 -0.429 32.1-160.1 -64.1 132.4 27.1 58.3 82.6 74 92 A D S S+ 0 0 53 -68,-2.2 42,-2.3 1,-0.3 2,-0.4 0.872 80.5 21.5 -78.9 -37.4 29.7 55.7 83.6 75 93 A V E -bd 7 116A 0 -69,-1.5 -67,-2.8 40,-0.2 2,-0.4 -0.988 66.5-162.3-131.6 139.6 28.9 53.5 80.7 76 94 A V E -bd 8 117A 0 40,-2.2 42,-2.6 -2,-0.4 2,-0.5 -0.997 7.9-163.6-120.9 124.6 27.2 54.4 77.3 77 95 A I E -bd 9 118A 0 -69,-3.2 -67,-2.2 -2,-0.4 2,-0.7 -0.953 9.3-148.7-111.7 120.9 25.8 51.4 75.3 78 96 A I E +bd 10 119A 0 40,-2.2 42,-2.3 -2,-0.5 43,-1.5 -0.773 37.6 145.9 -96.4 110.7 25.0 52.2 71.7 79 97 A T + 0 0 20 -69,-2.5 -68,-0.2 -2,-0.7 -1,-0.1 0.427 29.5 132.9-115.2 -2.9 22.1 50.3 70.1 80 98 A A + 0 0 16 -70,-1.5 2,-0.3 41,-0.1 -69,-0.1 -0.245 26.9 155.3 -54.3 133.8 20.9 53.1 67.7 81 99 A S - 0 0 56 40,-0.1 3,-0.1 19,-0.1 16,-0.1 -0.990 46.0 -99.6-160.4 151.4 20.2 51.9 64.2 82 100 A I - 0 0 59 -2,-0.3 15,-0.0 11,-0.2 11,-0.0 -0.239 62.0 -84.0 -64.9 160.8 18.1 52.7 61.0 83 103AA P S S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.240 85.4 50.2 -70.3 157.4 15.0 50.5 60.7 84 103BA G S S- 0 0 61 145,-0.2 146,-0.1 -3,-0.1 145,-0.1 0.237 76.6 -94.6 96.8 143.3 14.9 47.0 59.2 85 103CA R - 0 0 64 143,-0.2 145,-0.0 1,-0.1 5,-0.0 -0.676 48.3 -96.7 -90.2 148.8 16.9 43.8 59.6 86 105AA P - 0 0 3 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.335 29.4-147.9 -60.8 143.7 19.8 43.1 57.3 87 105BA K S S- 0 0 131 2,-0.3 3,-0.1 -3,-0.0 -2,-0.0 0.957 80.1 -18.3 -79.4 -57.3 18.7 40.8 54.5 88 106 A D S S+ 0 0 77 1,-0.3 2,-0.4 0, 0.0 133,-0.1 0.609 131.4 33.9-123.7 -29.4 21.9 38.8 53.9 89 108 A D > - 0 0 54 1,-0.1 3,-2.5 89,-0.0 -1,-0.3 -0.993 65.1-133.3-139.2 135.2 24.8 40.7 55.5 90 109 A R G > S+ 0 0 9 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.687 101.7 75.6 -54.1 -18.4 25.1 42.9 58.5 91 110 A S G > + 0 0 25 1,-0.2 3,-2.3 2,-0.1 -1,-0.3 0.667 69.1 85.0 -71.0 -17.3 26.9 45.4 56.2 92 111 A E G < S+ 0 0 92 -3,-2.5 3,-0.3 1,-0.3 4,-0.3 0.797 88.8 52.0 -54.7 -27.2 23.7 46.5 54.6 93 112 A L G <> S+ 0 0 15 -3,-1.1 4,-2.8 -4,-0.2 5,-0.3 0.379 79.8 111.5 -90.8 3.2 23.1 49.0 57.4 94 113 A L H <> S+ 0 0 7 -3,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.870 75.8 37.8 -42.9 -59.8 26.6 50.5 57.0 95 114 A F H > S+ 0 0 89 -3,-0.3 4,-1.3 -4,-0.2 -1,-0.2 0.925 119.7 44.6 -69.1 -44.8 25.9 54.0 55.6 96 115 A G H > S+ 0 0 26 -4,-0.3 4,-2.0 1,-0.2 3,-0.2 0.928 114.3 48.4 -68.6 -39.9 22.8 54.8 57.6 97 116 A N H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.852 106.2 56.7 -72.9 -25.9 24.2 53.5 60.9 98 117 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.891 106.4 51.2 -66.7 -36.9 27.5 55.4 60.5 99 118 A R H X S+ 0 0 114 -4,-1.3 4,-1.8 2,-0.2 3,-0.5 0.949 108.8 50.6 -66.2 -46.9 25.5 58.7 60.1 100 119 A I H X S+ 0 0 47 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.949 108.1 53.3 -54.4 -44.5 23.6 57.9 63.3 101 120 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.800 101.2 60.0 -63.8 -29.1 26.9 57.3 65.1 102 121 A D H X S+ 0 0 48 -4,-1.5 4,-1.7 -3,-0.5 -1,-0.2 0.972 109.4 43.5 -59.2 -52.1 28.2 60.7 64.0 103 122 A S H >X S+ 0 0 69 -4,-1.8 4,-1.9 1,-0.2 3,-0.6 0.969 114.0 49.3 -60.0 -50.4 25.3 62.2 65.9 104 123 A V H 3X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.3 5,-0.2 0.874 106.5 57.8 -56.6 -36.2 25.8 59.9 69.0 105 124 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.3 0.885 104.5 51.1 -62.6 -40.3 29.5 60.7 69.0 106 125 A E H < + 0 0 7 -4,-2.7 3,-1.5 -5,-0.3 -1,-0.1 -0.290 61.2 155.3-155.9 64.2 30.1 62.1 79.0 113 132AA P T 3 S+ 0 0 53 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.578 76.3 60.4 -68.2 -12.5 33.5 61.9 77.4 114 132BA N T 3 S+ 0 0 135 -6,-0.1 -5,-0.1 -41,-0.1 2,-0.1 0.323 82.3 116.8 -97.0 7.0 34.9 59.9 80.2 115 133 A A S < S- 0 0 1 -3,-1.5 2,-0.7 -7,-0.2 -40,-0.2 -0.343 71.9-118.9 -74.2 153.9 32.4 57.0 79.7 116 134 A F E -d 75 0A 0 -42,-2.3 -40,-2.2 -2,-0.1 2,-0.5 -0.862 37.7-149.9 -87.7 118.7 33.3 53.5 78.8 117 135 A V E -de 76 142A 0 24,-3.6 26,-2.4 -2,-0.7 2,-0.6 -0.846 16.6-170.5-102.5 128.6 31.5 53.1 75.5 118 136 A I E -de 77 143A 0 -42,-2.6 -40,-2.2 -2,-0.5 2,-0.2 -0.927 12.6-153.7-116.4 110.7 30.2 49.7 74.3 119 137 A C E +de 78 144A 0 24,-3.0 26,-3.2 -2,-0.6 139,-0.2 -0.585 26.0 163.1 -82.9 142.9 28.9 49.7 70.7 120 138 A I + 0 0 14 -42,-2.3 4,-0.2 -2,-0.2 -41,-0.2 0.567 39.2 114.6-124.9 -30.8 26.3 47.2 69.6 121 139 A T - 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0 0 55 -2,-0.3 4,-2.0 -3,-0.1 5,-0.2 -0.733 29.7-113.7-108.0 159.8 -2.1 65.8 101.6 524 221 B Q H > S+ 0 0 95 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.851 117.3 58.3 -61.6 -31.5 -5.3 64.0 100.9 525 222 B E H > S+ 0 0 153 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.965 105.5 48.4 -61.3 -50.4 -5.2 65.5 97.4 526 223 B Q H > S+ 0 0 76 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.904 111.1 51.3 -55.0 -42.5 -1.8 63.9 96.7 527 225 B I H X S+ 0 0 8 -4,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.908 110.2 49.1 -63.0 -40.3 -3.1 60.6 98.0 528 226 B D H X S+ 0 0 86 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.879 108.2 53.3 -68.9 -37.6 -6.1 60.9 95.6 529 227 B E H X S+ 0 0 110 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.848 108.8 50.7 -64.9 -29.0 -3.8 61.7 92.7 530 228 B I H X S+ 0 0 10 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.946 109.0 50.2 -73.5 -45.1 -1.9 58.5 93.6 531 229 B V H X S+ 0 0 20 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.908 114.1 44.8 -57.6 -43.1 -5.0 56.4 93.7 532 230 B C H X S+ 0 0 71 -4,-2.3 4,-1.7 2,-0.2 3,-0.3 0.946 110.1 54.7 -67.1 -48.1 -6.1 57.8 90.2 533 231 B H H X S+ 0 0 35 -4,-2.6 4,-1.0 1,-0.2 3,-0.3 0.909 105.6 54.3 -51.1 -45.8 -2.6 57.3 88.8 534 232 B T H < S+ 0 0 1 -4,-2.7 3,-0.4 1,-0.2 4,-0.3 0.901 107.8 50.2 -56.6 -42.9 -2.7 53.6 89.8 535 233 B R H < S+ 0 0 89 -4,-1.4 -1,-0.2 -3,-0.3 3,-0.2 0.814 120.2 31.9 -70.7 -30.9 -6.0 53.1 87.9 536 234 B I H >X S+ 0 0 60 -4,-1.7 4,-1.5 -3,-0.3 3,-1.2 0.331 85.0 109.1-108.4 9.7 -4.9 54.7 84.6 537 235 B A H 3X S+ 0 0 0 -4,-1.0 4,-1.7 -3,-0.4 5,-0.2 0.852 72.0 61.8 -52.3 -39.7 -1.3 53.7 84.8 538 236 B W H 3> S+ 0 0 12 -4,-0.3 4,-2.8 1,-0.2 12,-0.3 0.860 104.5 48.4 -57.6 -35.0 -1.8 51.1 82.0 539 237 B K H <> S+ 0 0 57 -3,-1.2 4,-3.3 2,-0.2 -1,-0.2 0.848 103.6 58.6 -73.6 -38.7 -2.8 53.9 79.6 540 238 B E H X S+ 0 0 62 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.902 113.9 40.1 -58.0 -40.0 0.2 56.1 80.4 541 239 B V H >X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 3,-1.3 0.973 116.3 48.9 -72.5 -55.5 2.4 53.2 79.4 542 240AB A H 3X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.3 5,-0.3 0.866 106.4 56.8 -54.3 -38.9 0.4 52.2 76.4 543 240BB D H 3< S+ 0 0 90 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.763 113.5 40.8 -65.3 -27.1 0.1 55.7 75.1 544 241 B N H << S+ 0 0 33 -3,-1.3 -501,-0.3 -4,-0.7 -2,-0.2 0.840 108.9 57.2 -89.0 -34.4 3.9 56.0 75.0 545 242 B L H < S- 0 0 3 -4,-2.3 -2,-0.2 3,-0.2 -3,-0.2 0.854 77.6-167.9 -60.6 -37.7 4.7 52.5 73.6 546 243AB K S < S+ 0 0 109 -4,-1.7 -3,-0.1 -5,-0.2 3,-0.1 0.881 72.7 68.1 48.9 39.9 2.6 53.1 70.6 547 243BB T S S- 0 0 108 1,-0.5 2,-0.3 -5,-0.3 -145,-0.2 0.331 112.9 -50.4-155.4 -19.8 2.8 49.4 69.7 548 244 B G S S- 0 0 13 -6,-0.3 -1,-0.5 -146,-0.1 -2,-0.2 -0.971 73.9 -46.4 169.4-158.5 0.8 47.7 72.4 549 245 B T S S- 0 0 51 -2,-0.3 -10,-0.1 1,-0.2 -11,-0.0 -0.349 71.0 -61.3 -98.0 179.0 0.4 47.5 76.2 550 246 B A + 0 0 9 -12,-0.3 -1,-0.2 1,-0.1 -217,-0.1 -0.167 54.1 157.8 -54.0 149.1 2.8 47.1 79.1 551 247 B Y > + 0 0 13 -219,-0.1 4,-1.0 -3,-0.1 -1,-0.1 0.508 57.5 66.1-151.2 -14.8 4.9 43.9 79.1 552 248 B F H > S+ 0 0 2 2,-0.2 4,-1.7 3,-0.1 5,-0.1 0.939 112.0 35.4 -76.1 -49.1 8.1 44.3 81.2 553 249 B A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.857 115.8 53.7 -73.3 -38.0 6.2 44.6 84.5 554 250 B P H > S+ 0 0 7 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.924 110.1 49.4 -63.6 -38.2 3.4 42.2 83.7 555 251 B A H X S+ 0 0 0 -4,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.949 111.5 48.4 -63.4 -47.2 6.0 39.5 82.8 556 252 B A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.896 108.6 54.3 -60.8 -37.9 7.9 40.1 86.1 557 253 B A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.916 106.1 51.7 -64.5 -38.4 4.7 39.9 88.1 558 254 B A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.901 108.2 52.6 -66.7 -34.7 3.8 36.5 86.6 559 255 B V H X S+ 0 0 2 -4,-1.8 4,-3.2 1,-0.2 5,-0.2 0.936 105.0 54.5 -66.7 -40.0 7.3 35.2 87.6 560 256 B K H X S+ 0 0 62 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.913 111.1 45.9 -59.1 -37.5 6.9 36.4 91.2 561 257 B M H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.900 111.2 50.9 -70.2 -42.6 3.6 34.3 91.3 562 258 B A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.927 110.8 52.5 -60.0 -40.1 5.3 31.3 89.6 563 259 B E H X S+ 0 0 27 -4,-3.2 4,-2.3 1,-0.2 6,-0.3 0.901 102.9 54.2 -61.4 -45.9 8.0 31.6 92.3 564 260 B A H <>S+ 0 0 2 -4,-2.0 5,-2.2 -5,-0.2 6,-0.4 0.920 115.5 42.8 -57.4 -36.5 5.7 31.7 95.2 565 261 B Y H ><5S+ 0 0 32 -4,-1.7 3,-1.0 3,-0.2 -2,-0.2 0.964 115.6 44.3 -72.5 -57.2 4.3 28.4 93.9 566 262 B L H 3<5S+ 0 0 21 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.792 121.9 39.0 -61.8 -30.9 7.5 26.5 92.9 567 263 B K T 3<5S- 0 0 146 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.367 104.5-128.2 -99.4 1.1 9.3 27.5 96.1 568 264 B D T < 5 + 0 0 54 -3,-1.0 -3,-0.2 -4,-0.2 -4,-0.1 0.915 44.8 168.0 51.9 50.9 6.2 27.0 98.3 569 265 B K < - 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