==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-OCT-05 2D4A . COMPND 2 MOLECULE: MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR R.KAWAKAMI,H.SAKURABA,H.TSUGE,T.OHSHIMA . 1206 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 926 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 90 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 463 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 4 0 0 0 0 3 0 0 8 3 0 4 9 0 3 2 1 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 16 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 0 PARALLEL BRIDGES PER LADDER . 8 10 0 4 1 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 . 3 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 1 B M 0 0 59 0, 0.0 68,-1.5 0, 0.0 69,-0.9 0.000 360.0 360.0 360.0 144.5 69.3 14.0 200.7 2 2 B I E -ab 26 70A 0 23,-2.3 25,-1.6 66,-0.2 2,-0.5 -0.853 360.0-158.7 -94.0 130.1 65.9 14.6 202.2 3 3 B T E -ab 27 71A 0 67,-2.4 69,-2.9 -2,-0.5 2,-0.5 -0.892 0.7-159.6-110.3 130.7 64.4 11.7 204.1 4 4 B I E -ab 28 72A 0 23,-3.1 25,-2.2 -2,-0.5 2,-0.6 -0.961 5.2-155.2-105.2 135.0 60.6 11.5 204.7 5 5 B L E +ab 29 73A 1 67,-3.1 69,-2.6 -2,-0.5 70,-0.7 -0.868 68.2 37.9-107.7 112.7 59.3 9.3 207.5 6 6 B G - 0 0 9 23,-2.3 25,-0.1 -2,-0.6 -1,-0.1 -0.026 60.8-150.8 158.8 -72.1 55.8 8.1 207.1 7 7 B A + 0 0 3 1,-0.1 -1,-0.1 23,-0.1 23,-0.1 0.479 63.0 112.2 64.4 16.7 54.5 7.2 203.6 8 8 B G S > S- 0 0 32 -3,-0.1 4,-1.7 68,-0.0 -1,-0.1 0.348 87.1 -59.5 -83.8-146.5 51.0 8.2 204.6 9 9 B K H > S+ 0 0 111 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.915 135.7 32.1 -74.2 -43.6 48.6 10.9 203.6 10 10 B V H > S+ 0 0 24 64,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.781 118.0 58.9 -84.5 -22.0 50.8 13.9 204.6 11 11 B G H > S+ 0 0 0 63,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.950 108.8 42.3 -64.6 -48.9 54.0 12.0 203.7 12 12 B M H X S+ 0 0 8 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.852 109.5 55.1 -73.6 -37.7 53.0 11.5 200.3 13 13 B A H X S+ 0 0 9 -4,-1.3 4,-2.2 2,-0.2 5,-0.2 0.959 110.5 49.1 -60.4 -45.4 51.6 14.9 199.6 14 14 B T H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.919 109.5 52.2 -56.0 -48.0 55.0 16.3 200.8 15 15 B A H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.857 108.9 49.6 -59.9 -37.3 56.9 13.9 198.5 16 16 B V H X S+ 0 0 5 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.963 114.7 43.7 -67.2 -49.3 54.9 15.0 195.5 17 17 B M H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.824 112.5 51.5 -64.6 -36.3 55.4 18.7 196.1 18 18 B L H X>S+ 0 0 1 -4,-2.7 4,-1.7 -5,-0.2 5,-0.8 0.856 108.6 53.8 -68.5 -33.4 59.1 18.3 196.9 19 19 B M H <5S+ 0 0 0 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.901 105.2 52.2 -65.5 -44.5 59.4 16.4 193.6 20 20 B M H <5S+ 0 0 19 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.915 113.0 45.6 -59.2 -44.5 57.9 19.2 191.6 21 21 B R H <5S- 0 0 81 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.812 92.2-154.5 -70.6 -29.6 60.4 21.6 193.2 22 22 B G T <5 + 0 0 10 -4,-1.7 -3,-0.2 -5,-0.1 3,-0.1 0.837 37.2 150.8 58.7 35.2 63.3 19.2 192.6 23 23 B Y < - 0 0 57 -5,-0.8 2,-0.3 1,-0.2 -1,-0.1 0.824 65.8 -33.1 -66.1 -32.7 65.4 20.7 195.5 24 24 B D S S- 0 0 45 -6,-0.3 -1,-0.2 31,-0.1 -2,-0.1 -0.969 81.7 -54.3-173.2 174.4 67.2 17.4 196.2 25 25 B D - 0 0 46 -2,-0.3 -23,-2.3 -3,-0.1 2,-0.4 -0.254 51.2-140.8 -66.4 151.3 67.0 13.6 196.3 26 26 B L E -ac 2 56A 3 29,-2.4 31,-1.9 -25,-0.2 2,-0.4 -0.948 14.9-169.2-121.4 153.3 64.2 11.9 198.2 27 27 B L E -ac 3 57A 9 -25,-1.6 -23,-3.1 -2,-0.4 2,-0.5 -0.997 8.5-155.6-140.9 128.2 64.0 8.9 200.4 28 28 B L E -ac 4 58A 0 29,-2.6 31,-1.3 -2,-0.4 2,-0.4 -0.907 12.4-177.4-106.0 126.6 60.8 7.3 201.6 29 29 B I E +ac 5 59A 0 -25,-2.2 -23,-2.3 -2,-0.5 2,-0.3 -0.976 13.7 150.9-130.4 119.3 61.0 5.2 204.8 30 30 B A - 0 0 2 29,-1.6 4,-0.1 -2,-0.4 -23,-0.1 -0.973 46.7-123.9-141.8 153.2 57.9 3.4 206.3 31 31 B R S S+ 0 0 115 -2,-0.3 -1,-0.1 -25,-0.1 -24,-0.0 0.889 85.1 89.0 -65.1 -44.6 57.4 0.2 208.3 32 32 B T S S- 0 0 77 1,-0.1 3,-0.5 2,-0.1 2,-0.2 -0.356 85.4-118.0 -59.8 125.7 55.1 -1.6 205.9 33 33 B P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.468 92.9 7.5 -68.2 130.8 57.1 -3.7 203.4 34 34 B G S > S+ 0 0 8 -2,-0.2 4,-2.9 -4,-0.1 5,-0.3 -0.044 102.3 98.6 92.1 -32.9 56.5 -2.7 199.8 35 35 B K H > S+ 0 0 44 -3,-0.5 4,-1.9 1,-0.2 5,-0.2 0.939 89.7 35.1 -54.7 -56.5 54.5 0.5 200.6 36 36 B P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.867 118.0 53.8 -69.1 -33.6 57.3 3.0 200.3 37 37 B Q H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.991 112.8 41.6 -62.2 -58.6 59.0 1.2 197.5 38 38 B G H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.862 115.5 50.9 -57.4 -36.2 55.8 1.0 195.3 39 39 B E H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.926 109.7 49.3 -68.9 -40.6 55.0 4.6 196.2 40 40 B A H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.780 109.4 55.1 -65.9 -28.2 58.5 5.8 195.3 41 41 B L H X S+ 0 0 19 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.902 108.7 44.8 -73.4 -42.1 58.1 3.9 192.0 42 42 B D H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.921 116.9 47.5 -67.4 -40.7 54.8 5.6 191.1 43 43 B L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.913 109.4 52.8 -65.9 -42.3 56.4 8.9 192.1 44 44 B A H X S+ 0 0 5 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.873 106.7 52.8 -60.8 -39.6 59.6 8.2 190.1 45 45 B H H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.847 109.4 50.2 -64.2 -35.4 57.6 7.5 186.9 46 46 B A H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 3,-0.3 0.878 105.7 55.6 -70.4 -37.9 55.9 10.8 187.4 47 47 B A H X>S+ 0 0 2 -4,-2.1 5,-2.5 1,-0.2 4,-1.1 0.846 104.6 54.6 -62.8 -33.1 59.3 12.5 187.8 48 48 B A H <5S+ 0 0 16 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.817 106.2 50.1 -70.2 -33.0 60.3 11.1 184.4 49 49 B E H <5S+ 0 0 17 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.845 116.1 42.8 -73.2 -35.4 57.3 12.6 182.6 50 50 B L H <5S- 0 0 23 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.646 109.4-126.2 -84.2 -16.3 58.1 16.0 184.2 51 51 B G T <5 + 0 0 13 -4,-1.1 2,-1.1 1,-0.2 -3,-0.2 0.814 54.2 152.6 76.2 27.8 61.8 15.6 183.5 52 52 B V < - 0 0 10 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.780 34.1-155.1 -91.9 99.9 62.8 16.3 187.0 53 53 B D + 0 0 13 -2,-1.1 -1,-0.1 -3,-0.1 -5,-0.1 0.440 46.5 125.7 -55.5 -6.7 66.1 14.4 187.3 54 54 B I - 0 0 11 -35,-0.2 2,-0.3 -7,-0.1 -29,-0.1 -0.147 62.8-111.9 -60.8 165.0 66.1 13.8 191.0 55 55 B R - 0 0 176 786,-0.1 -29,-2.4 -8,-0.0 2,-0.4 -0.694 30.6-169.7 -93.7 139.8 66.5 10.4 192.6 56 56 B I E +c 26 0A 17 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.973 9.5 174.3-135.2 122.8 63.5 8.9 194.4 57 57 B S E -c 27 0A 56 -31,-1.9 -29,-2.6 -2,-0.4 2,-0.3 -0.870 19.4-151.2-129.4 160.3 63.7 5.8 196.6 58 58 B G E +c 28 0A 20 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.891 24.0 164.0-122.8 156.2 61.6 3.8 199.0 59 59 B S E -c 29 0A 9 -31,-1.3 -29,-1.6 -2,-0.3 3,-0.0 -0.976 40.6-154.4-171.5 153.9 62.8 1.7 201.9 60 60 B N S S+ 0 0 55 -2,-0.3 2,-0.7 -31,-0.2 -31,-0.1 0.290 78.0 92.2-111.6 0.3 61.9 -0.2 205.1 61 61 B S > - 0 0 29 1,-0.1 3,-2.5 2,-0.0 4,-0.2 -0.847 58.2-163.1-106.4 103.9 65.4 0.1 206.5 62 62 B Y G > S+ 0 0 34 -2,-0.7 3,-1.5 1,-0.3 -1,-0.1 0.633 85.1 79.2 -55.3 -14.9 65.9 3.2 208.7 63 63 B E G > S+ 0 0 110 1,-0.3 3,-1.4 2,-0.1 -1,-0.3 0.867 81.5 69.2 -61.8 -32.9 69.7 2.6 208.2 64 64 B D G < S+ 0 0 78 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.630 76.9 77.4 -61.8 -16.2 69.2 4.2 204.8 65 65 B M G X + 0 0 0 -3,-1.5 3,-2.1 -4,-0.2 -1,-0.3 0.408 64.7 127.3 -78.4 8.4 68.6 7.7 206.2 66 66 B R T < + 0 0 144 -3,-1.4 35,-0.2 1,-0.2 34,-0.1 -0.433 70.0 24.8 -64.3 132.5 72.3 8.1 206.8 67 67 B G T 3 S+ 0 0 68 33,-0.4 -1,-0.2 1,-0.3 2,-0.1 0.313 82.8 142.9 97.5 -7.7 73.5 11.3 205.2 68 68 B S < - 0 0 5 -3,-2.1 -1,-0.3 32,-0.3 35,-0.2 -0.408 35.1-166.7 -72.7 146.4 70.3 13.2 205.3 69 69 B D S S+ 0 0 70 -68,-1.5 36,-1.9 1,-0.3 2,-0.4 0.827 82.5 36.8 -95.0 -19.4 70.6 17.0 206.0 70 70 B I E -bd 2 105A 0 -69,-0.9 -67,-2.4 34,-0.2 2,-0.5 -0.959 65.6-170.4-128.5 138.1 66.8 17.2 206.5 71 71 B V E -bd 3 106A 0 34,-2.6 36,-2.4 -2,-0.4 2,-0.5 -0.969 8.5-161.2-126.0 120.8 64.6 14.6 208.1 72 72 B L E -bd 4 107A 0 -69,-2.9 -67,-3.1 -2,-0.5 2,-0.7 -0.895 3.9-156.9-102.9 125.2 60.9 15.1 207.8 73 73 B V E +bd 5 108A 0 34,-3.3 36,-2.7 -2,-0.5 37,-0.6 -0.899 34.3 145.1-105.4 109.6 58.7 13.2 210.3 74 74 B T + 0 0 7 -69,-2.6 -64,-0.2 -2,-0.7 -63,-0.2 0.349 34.2 115.9-122.9 4.2 55.1 12.7 209.1 75 75 B A + 0 0 18 -70,-0.7 -69,-0.1 35,-0.1 -1,-0.1 0.458 43.9 121.0 -55.2 -7.3 54.6 9.3 210.7 76 76 B G - 0 0 25 -3,-0.1 2,-0.2 1,-0.1 -68,-0.0 0.018 61.9-119.1 -60.9 167.0 51.8 10.3 213.1 77 77 B I 0 0 108 34,-0.2 34,-0.4 5,-0.2 -1,-0.1 -0.629 360.0 360.0 -96.3 163.0 48.3 9.0 213.3 78 78 B G 0 0 78 -2,-0.2 136,-0.2 32,-0.1 4,-0.1 0.301 360.0 360.0-114.4 360.0 45.4 11.4 212.8 79 ! 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 80 86 B E > 0 0 146 0, 0.0 4,-1.6 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -23.1 44.2 11.2 224.8 81 87 B Q T 4 + 0 0 198 2,-0.2 0, 0.0 1,-0.2 0, 0.0 0.363 360.0 38.4 -77.0 6.5 43.7 8.1 222.6 82 88 B L T > S+ 0 0 62 3,-0.1 4,-2.8 -4,-0.1 5,-0.3 0.686 108.9 57.6-115.0 -58.8 45.8 9.9 220.0 83 89 B L H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.832 108.8 45.5 -40.8 -52.7 48.5 11.7 222.2 84 90 B E H X S+ 0 0 113 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.913 113.9 48.9 -66.5 -40.4 49.8 8.5 223.8 85 91 B A H > S+ 0 0 45 -5,-0.3 4,-2.0 -3,-0.3 -2,-0.2 0.942 115.3 43.3 -66.9 -47.0 49.9 6.5 220.4 86 92 B N H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.899 110.8 54.5 -64.1 -44.9 51.7 9.2 218.6 87 93 B A H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 5,-0.2 0.921 107.9 50.1 -56.8 -46.0 54.2 9.9 221.4 88 94 B N H X S+ 0 0 79 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.947 109.5 53.7 -58.5 -41.6 55.1 6.3 221.5 89 95 B T H X S+ 0 0 42 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.921 107.4 49.1 -56.1 -48.0 55.6 6.7 217.7 90 96 B M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.753 109.3 51.3 -60.6 -45.5 58.0 9.6 218.1 91 97 B A H X S+ 0 0 21 -4,-2.0 4,-1.7 -3,-0.2 -1,-0.2 0.895 111.6 47.8 -61.7 -42.3 60.1 7.9 220.7 92 98 B D H X S+ 0 0 87 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.934 117.5 41.6 -64.5 -47.9 60.5 4.9 218.5 93 99 B L H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.2 3,-0.3 0.847 109.2 61.9 -65.8 -34.6 61.4 7.1 215.4 94 100 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.888 99.6 51.8 -63.4 -42.8 63.6 9.3 217.7 95 101 B E H X S+ 0 0 121 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.839 112.9 48.7 -61.1 -30.5 66.1 6.5 218.6 96 102 B K H >X S+ 0 0 72 -4,-0.8 4,-2.7 -3,-0.3 3,-0.7 0.938 111.9 45.0 -75.0 -49.5 66.4 5.8 214.8 97 103 B I H 3X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.893 110.9 56.0 -60.0 -41.5 67.0 9.4 213.8 98 104 B K H 3< S+ 0 0 102 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.727 116.8 35.0 -61.4 -26.4 69.5 9.8 216.6 99 105 B A H << S+ 0 0 40 -3,-0.7 3,-0.2 -4,-0.5 -2,-0.2 0.736 128.4 30.1-103.1 -33.4 71.5 6.9 215.4 100 106 B Y H < S+ 0 0 81 -4,-2.7 -33,-0.4 1,-0.2 -32,-0.3 0.605 125.4 41.0-105.3 -9.8 71.3 7.0 211.6 101 107 B A >< + 0 0 3 -4,-2.2 3,-1.8 -5,-0.3 -1,-0.2 -0.336 65.1 155.2-134.4 49.9 70.8 11.1 211.0 102 108 B K T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -3,-0.2 -4,-0.1 0.644 73.3 45.0 -53.5 -20.7 73.3 12.4 213.5 103 109 B D T 3 S+ 0 0 142 -35,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.095 95.6 129.6-114.7 21.0 73.8 15.6 211.7 104 110 B A < - 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0 0 5 -2,-0.7 2,-1.6 90,-0.2 -2,-0.1 -0.941 62.6 -86.1-154.3 167.8 83.2 21.5 166.4 775 172 D H S S+ 0 0 35 -2,-0.3 2,-0.3 4,-0.1 -53,-0.2 -0.548 96.8 34.3 -85.5 77.5 81.5 24.9 167.0 776 173 D G S > S- 0 0 28 -2,-1.6 3,-2.1 -55,-0.1 -2,-0.2 -0.939 112.8 -17.9 176.4-154.4 81.7 26.5 163.6 777 174 D Q T 3 S+ 0 0 99 1,-0.3 33,-0.1 -2,-0.3 117,-0.1 0.825 128.5 50.2 -44.8 -44.8 81.7 26.0 159.9 778 175 D K T 3 S+ 0 0 83 116,-0.1 2,-0.3 115,-0.1 -1,-0.3 0.135 76.1 124.7 -88.9 22.9 82.4 22.3 160.1 779 176 D M < - 0 0 7 -3,-2.1 -6,-0.2 -6,-0.2 31,-0.1 -0.663 42.8-171.4 -77.3 133.4 79.7 21.5 162.7 780 177 D F E -I 772 0H 12 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.2 -0.985 16.9-138.9-134.4 147.4 77.6 18.7 161.2 781 178 D P E -I 771 0H 17 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.494 14.5-133.4 -92.2 165.0 74.2 17.0 162.1 782 179 D V > + 0 0 0 -12,-2.5 3,-2.6 -2,-0.2 4,-0.2 -0.655 25.0 175.5-124.4 74.5 73.5 13.3 161.9 783 180 D P G > S+ 0 0 10 0, 0.0 3,-1.4 0, 0.0 11,-0.6 0.787 78.5 65.7 -47.3 -34.0 70.0 13.1 160.2 784 181 D R G 3 S+ 0 0 95 1,-0.3 -2,-0.0 9,-0.1 0, 0.0 0.829 111.0 36.3 -60.3 -30.1 70.3 9.3 160.1 785 182 D L G < S+ 0 0 18 -3,-2.6 -1,-0.3 -15,-0.1 2,-0.2 0.216 105.2 88.8-109.5 16.4 70.2 9.5 163.9 786 183 D S < + 0 0 5 -3,-1.4 7,-1.4 -4,-0.2 2,-0.3 -0.630 48.4 164.9-109.0 167.6 67.7 12.3 164.3 787 184 D S E -GH 768 792G 11 -19,-1.9 -19,-2.5 5,-0.3 2,-0.4 -0.986 31.3-127.4-168.5 176.5 64.0 12.4 164.5 788 185 D V E > S-GH 767 791G 3 3,-1.8 3,-2.2 -2,-0.3 -21,-0.2 -0.951 89.8 -22.4-141.1 114.6 60.7 14.2 165.3 789 186 D G T 3 S- 0 0 23 -23,-2.3 -22,-0.1 -2,-0.4 -218,-0.1 0.769 132.1 -46.3 55.6 25.1 58.1 12.6 167.6 790 187 D G T 3 S+ 0 0 2 1,-0.3 -1,-0.3 -24,-0.2 -328,-0.1 0.415 113.5 121.0 97.6 -0.2 59.6 9.3 166.8 791 188 D V E < -H 788 0G 9 -3,-2.2 -3,-1.8 -218,-0.1 -1,-0.3 -0.859 69.1-114.5-103.0 121.7 59.8 9.8 163.0 792 189 D P E >> -H 787 0G 30 0, 0.0 3,-2.0 0, 0.0 4,-1.0 -0.243 21.1-130.2 -56.3 133.4 63.3 9.6 161.4 793 190 D L H >> S+ 0 0 4 -7,-1.4 4,-2.1 -10,-0.5 3,-0.6 0.893 104.9 65.3 -51.5 -39.8 64.2 13.1 160.0 794 191 D E H 34 S+ 0 0 106 -11,-0.6 -1,-0.3 1,-0.3 -10,-0.1 0.601 102.1 50.2 -64.0 -4.6 65.1 11.5 156.6 795 192 D H H <4 S+ 0 0 127 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.835 113.0 42.1 -98.8 -37.2 61.5 10.6 156.2 796 193 D L H << S+ 0 0 65 -4,-1.0 2,-0.4 -3,-0.6 -2,-0.2 0.663 117.7 43.8 -85.5 -18.8 60.0 14.0 156.9 797 194 D M S < S- 0 0 8 -4,-2.1 -1,-0.1 4,-0.0 2,-0.0 -0.978 74.4-127.9-134.5 144.6 62.5 16.1 155.0 798 195 D S > - 0 0 58 -2,-0.4 4,-1.6 1,-0.1 5,-0.1 -0.267 38.1-104.9 -75.2 170.4 64.2 15.9 151.6 799 196 D K H > S+ 0 0 111 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.794 120.8 52.6 -70.1 -28.0 68.0 16.2 151.4 800 197 D E H > S+ 0 0 124 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.855 108.7 50.6 -75.1 -34.9 67.8 19.8 150.1 801 198 D E H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.857 107.3 53.9 -69.2 -36.7 65.6 20.8 153.0 802 199 D I H X S+ 0 0 6 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.861 108.1 48.3 -66.8 -37.2 67.9 19.3 155.6 803 200 D E H X S+ 0 0 100 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.657 106.1 60.6 -77.9 -15.0 70.9 21.2 154.3 804 201 D E H X S+ 0 0 86 -4,-0.7 4,-2.3 2,-0.2 3,-0.4 0.953 108.3 41.2 -73.8 -51.2 68.8 24.3 154.4 805 202 D V H X S+ 0 0 6 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.824 111.3 57.7 -65.5 -30.9 68.3 23.9 158.1 806 203 D V H X S+ 0 0 27 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.826 107.9 48.2 -68.6 -30.2 72.0 23.0 158.5 807 204 D S H X S+ 0 0 64 -4,-1.0 4,-3.0 -3,-0.4 -2,-0.2 0.946 109.7 50.3 -72.3 -49.6 72.8 26.3 156.9 808 205 D E H < S+ 0 0 67 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.855 115.9 45.3 -53.8 -38.4 70.5 28.3 159.1 809 206 D T H >< S+ 0 0 1 -4,-2.0 3,-0.6 2,-0.2 4,-0.5 0.941 114.6 43.2 -73.0 -52.9 72.1 26.5 162.1 810 207 D V H 3< S+ 0 0 43 -4,-2.4 3,-0.2 1,-0.2 4,-0.2 0.856 125.4 37.6 -62.7 -34.8 75.7 26.9 161.1 811 208 D N T 3X S+ 0 0 94 -4,-3.0 4,-1.9 -5,-0.2 3,-0.3 0.407 87.9 101.5 -97.3 0.5 75.1 30.5 160.1 812 209 D A H <> S+ 0 0 0 -3,-0.6 4,-1.5 -4,-0.3 5,-0.2 0.883 79.3 52.2 -51.5 -47.8 72.6 31.3 162.9 813 210 D G H > S+ 0 0 21 -4,-0.5 4,-1.4 -3,-0.2 11,-0.3 0.895 109.6 48.3 -60.2 -41.8 75.1 33.2 165.0 814 211 D A H > S+ 0 0 57 -3,-0.3 4,-2.0 -4,-0.2 -1,-0.2 0.856 105.1 59.9 -68.3 -35.0 76.2 35.5 162.1 815 212 D K H X S+ 0 0 96 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.893 108.4 42.5 -61.6 -41.7 72.6 36.3 161.2 816 213 D I H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 6,-0.6 0.828 109.4 57.2 -77.7 -27.8 71.8 37.8 164.6 817 214 D T H X S+ 0 0 12 -4,-1.4 4,-1.0 1,-0.2 -2,-0.2 0.926 111.2 44.8 -64.6 -41.5 75.0 39.7 164.9 818 215 D E H < S+ 0 0 133 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.739 116.0 48.4 -72.0 -25.7 74.2 41.4 161.6 819 216 D L H < S+ 0 0 65 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.2 0.955 127.2 18.4 -83.0 -53.7 70.6 42.0 162.7 820 217 D R H < S- 0 0 17 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.490 108.7-111.6 -96.3 -4.5 70.9 43.5 166.2 821 218 D G S < S+ 0 0 41 -4,-1.0 2,-0.3 -5,-0.5 -4,-0.2 0.489 85.3 69.3 92.3 1.2 74.5 44.5 165.7 822 219 D Y S S- 0 0 59 -6,-0.6 -2,-0.2 -139,-0.1 -139,-0.1 -0.986 82.4 -90.2-156.3 146.0 76.2 42.1 168.2 823 220 D S - 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