==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-AUG-01 1J4A . COMPND 2 MOLECULE: D-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS DELBRUECKII SUBSP. . AUTHOR A.RAZETO,S.KOCHHAR,H.HOTTINGER,M.DAUTER,K.S.WILSON, . 1325 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 985 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 202 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.4 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 . 0 0.0 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 . 2 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 . 109 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 170 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 383 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.4 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 8 4 5 13 2 0 3 1 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 17 0 14 12 8 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 3 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 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 2 A T 0 0 86 0, 0.0 26,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 127.4 -40.4 67.5 87.5 2 3 A K E -a 27 0A 34 24,-0.2 45,-2.8 43,-0.1 46,-0.9 -0.993 360.0-171.9-132.4 139.2 -39.3 68.8 84.1 3 4 A I E -ab 28 48A 0 24,-2.6 26,-1.8 -2,-0.4 2,-0.5 -0.990 9.4-159.1-126.2 128.3 -36.4 70.9 82.8 4 5 A F E -ab 29 49A 13 44,-1.9 46,-1.7 -2,-0.4 2,-0.3 -0.947 9.8-156.8-105.7 127.7 -36.2 72.2 79.2 5 6 A A E -ab 30 50A 0 24,-2.4 26,-2.2 -2,-0.5 2,-0.3 -0.741 1.9-154.7-107.3 144.4 -32.8 73.2 77.7 6 7 A Y + 0 0 0 44,-2.7 28,-0.2 -2,-0.3 26,-0.2 -0.789 69.5 17.0-110.1 159.4 -32.0 75.6 74.9 7 8 A A S S+ 0 0 14 26,-2.4 25,-0.3 -2,-0.3 -1,-0.2 0.762 76.1 178.1 54.7 32.8 -29.1 75.9 72.5 8 9 A I - 0 0 7 23,-2.2 2,-0.3 -3,-0.3 -1,-0.2 -0.438 13.3-151.9 -70.9 127.5 -27.9 72.4 73.2 9 10 A R >> - 0 0 38 -2,-0.1 3,-1.2 1,-0.1 4,-1.2 -0.758 26.4-112.9 -95.5 157.7 -24.9 71.5 71.2 10 11 A E G >4 S+ 0 0 133 -2,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.912 119.7 56.3 -51.3 -43.6 -23.8 68.0 70.1 11 12 A D G 34 S+ 0 0 23 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.780 104.7 52.0 -68.5 -17.1 -20.8 68.3 72.3 12 13 A E G X> S+ 0 0 0 -3,-1.2 4,-1.7 1,-0.2 3,-0.9 0.726 88.2 84.3 -91.0 -15.5 -23.1 69.0 75.3 13 14 A K H S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.862 110.8 45.9 -57.5 -36.5 -23.0 63.4 76.6 15 16 A F H <> S+ 0 0 31 -3,-0.9 4,-2.4 -4,-0.3 -2,-0.2 0.832 108.5 54.9 -78.7 -35.7 -23.1 65.5 79.8 16 17 A L H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.938 109.6 49.0 -56.7 -45.9 -26.9 66.0 79.6 17 18 A K H X S+ 0 0 108 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.921 108.3 53.4 -60.8 -46.3 -27.2 62.2 79.4 18 19 A E H X S+ 0 0 78 -4,-1.7 4,-1.0 -5,-0.2 -1,-0.2 0.938 111.3 45.4 -58.3 -43.1 -24.9 61.9 82.4 19 20 A W H >< S+ 0 0 5 -4,-2.4 3,-0.5 2,-0.2 4,-0.5 0.917 113.5 50.7 -65.8 -42.4 -27.1 64.3 84.4 20 21 A E H >< S+ 0 0 53 -4,-2.8 3,-2.4 1,-0.2 6,-0.3 0.964 106.2 53.4 -57.4 -54.6 -30.2 62.5 83.3 21 22 A D H 3< S+ 0 0 106 -4,-3.3 3,-0.4 1,-0.3 -1,-0.2 0.725 111.6 48.4 -52.6 -26.6 -28.9 59.1 84.3 22 23 A A T << S+ 0 0 72 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.453 117.4 39.6 -91.4 -10.2 -28.2 60.6 87.7 23 24 A H X + 0 0 44 -3,-2.4 3,-2.6 -4,-0.5 -1,-0.2 -0.425 65.5 160.5-134.3 56.2 -31.7 62.2 88.1 24 25 A K T 3 S+ 0 0 172 -3,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.747 71.8 64.6 -56.2 -23.3 -34.0 59.5 86.6 25 26 A D T 3 S+ 0 0 123 -3,-0.1 2,-0.4 -5,-0.1 -1,-0.3 0.436 92.5 77.9 -78.2 -0.7 -36.9 61.1 88.4 26 27 A V S < S- 0 0 12 -3,-2.6 2,-0.5 -6,-0.3 -24,-0.2 -0.932 75.3-137.0-114.3 134.4 -36.6 64.3 86.4 27 28 A E E -a 2 0A 96 -26,-3.1 -24,-2.6 -2,-0.4 2,-0.5 -0.774 21.4-169.2 -86.9 130.4 -37.8 64.7 82.8 28 29 A V E +a 3 0A 12 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.968 12.6 164.3-123.8 124.6 -35.3 66.5 80.5 29 30 A E E +a 4 0A 88 -26,-1.8 -24,-2.4 -2,-0.5 2,-0.3 -0.923 10.8 172.4-126.3 160.2 -36.1 67.8 77.0 30 31 A Y E -a 5 0A 88 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.992 20.8-146.2-156.5 170.9 -34.2 70.2 74.8 31 32 A T - 0 0 17 -26,-2.2 -23,-2.2 -2,-0.3 -24,-0.1 -0.914 22.3-133.5-134.5 165.2 -33.7 72.0 71.5 32 33 A D S S+ 0 0 124 -2,-0.3 -26,-0.1 -25,-0.3 -1,-0.0 0.588 79.2 100.3 -92.9 -11.8 -30.7 73.3 69.5 33 34 A K S S- 0 0 118 1,-0.1 -26,-2.4 -26,-0.1 -25,-0.2 -0.297 79.2-108.8 -70.8 157.0 -32.5 76.6 68.9 34 35 A L - 0 0 83 -28,-0.2 2,-0.6 -27,-0.1 -1,-0.1 -0.324 38.9 -95.1 -75.6 164.3 -31.9 79.7 70.8 35 36 A L + 0 0 0 20,-0.1 -1,-0.1 -29,-0.1 26,-0.1 -0.781 60.9 150.3 -86.8 115.3 -34.4 81.1 73.3 36 37 A T > - 0 0 33 -2,-0.6 4,-1.3 25,-0.1 3,-0.1 -0.795 64.4 -92.0-130.9 178.2 -36.5 83.7 71.6 37 38 A P T 4 S+ 0 0 49 0, 0.0 4,-0.3 0, 0.0 -2,-0.0 0.832 129.4 49.3 -64.4 -27.0 -40.1 85.0 72.0 38 39 A E T 4 S+ 0 0 153 1,-0.2 3,-0.4 2,-0.1 4,-0.1 0.781 112.5 44.7 -83.1 -28.0 -41.0 82.4 69.4 39 40 A T T >4 S+ 0 0 18 1,-0.2 3,-1.3 2,-0.1 4,-0.3 0.562 86.4 90.8 -96.5 -5.9 -39.2 79.5 71.0 40 41 A V G >< S+ 0 0 0 -4,-1.3 3,-2.0 1,-0.2 4,-0.4 0.830 75.9 66.9 -56.3 -30.8 -40.4 80.1 74.6 41 42 A A G > S+ 0 0 56 -3,-0.4 3,-1.7 1,-0.3 -1,-0.2 0.817 83.8 72.2 -66.1 -24.3 -43.5 77.9 74.0 42 43 A L G < S+ 0 0 76 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.737 95.7 54.8 -59.9 -21.8 -41.2 74.8 73.7 43 44 A A G X S+ 0 0 0 -3,-2.0 3,-3.3 -4,-0.3 -1,-0.3 0.669 76.1 125.5 -86.1 -17.8 -40.7 75.3 77.5 44 45 A K T < S+ 0 0 150 -3,-1.7 25,-0.1 -4,-0.4 3,-0.1 -0.143 77.1 24.6 -44.8 121.8 -44.5 75.2 78.3 45 46 A G T 3 S+ 0 0 62 23,-0.7 -1,-0.3 1,-0.4 2,-0.2 0.249 97.7 115.2 103.4 -14.3 -44.9 72.5 80.9 46 47 A A < - 0 0 6 -3,-3.3 -1,-0.4 22,-0.3 -43,-0.2 -0.619 63.2-141.5 -85.3 154.6 -41.4 72.7 82.2 47 48 A D S S- 0 0 74 -45,-2.8 24,-0.5 1,-0.2 2,-0.3 0.704 81.2 -12.8 -85.4 -18.7 -40.6 73.8 85.8 48 49 A G E -b 3 0A 0 -46,-0.9 -44,-1.9 22,-0.1 2,-0.3 -0.977 66.1-119.9-171.6 164.7 -37.5 75.7 84.6 49 50 A V E -bc 4 73A 0 23,-2.6 25,-3.1 -2,-0.3 2,-0.5 -0.895 4.9-148.1-123.1 151.1 -35.1 76.3 81.7 50 51 A V E +bc 5 74A 0 -46,-1.7 -44,-2.7 -2,-0.3 2,-0.3 -0.970 32.5 173.8-113.7 122.6 -31.3 75.8 81.1 51 52 A V E + c 0 75A 0 23,-2.2 25,-2.3 -2,-0.5 26,-0.3 -0.839 25.2 175.6-131.2 169.7 -29.9 78.4 78.6 52 53 A Y + 0 0 29 -2,-0.3 2,-0.3 23,-0.2 3,-0.1 -0.656 31.5 121.5-173.7 111.7 -26.7 79.7 77.0 53 54 A Q - 0 0 9 -2,-0.2 29,-0.1 1,-0.1 4,-0.1 -0.952 55.6-135.9-169.2 157.6 -26.6 82.3 74.3 54 55 A Q S S+ 0 0 136 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.801 79.9 103.4 -87.1 -33.1 -25.3 85.7 73.3 55 56 A L S S- 0 0 76 1,-0.1 -20,-0.1 -3,-0.1 27,-0.1 -0.260 89.1-101.1 -48.7 118.9 -28.7 86.6 71.9 56 57 A D - 0 0 88 1,-0.1 2,-1.7 25,-0.1 27,-0.2 -0.085 15.1-127.3 -51.9 140.8 -30.1 88.9 74.6 57 58 A Y B -f 83 0B 1 25,-3.0 27,-2.3 -3,-0.1 -1,-0.1 -0.669 47.0-167.8 -85.6 78.4 -32.7 87.7 77.1 58 59 A I > - 0 0 45 -2,-1.7 4,-3.2 25,-0.2 5,-0.2 -0.230 35.3-106.8 -69.3 168.2 -35.1 90.5 76.2 59 60 A A H > S+ 0 0 19 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.933 123.4 51.6 -58.4 -49.7 -38.2 91.7 78.0 60 61 A E H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.931 112.0 46.5 -51.6 -48.7 -40.3 90.2 75.3 61 62 A T H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 113.2 47.8 -64.7 -42.3 -38.4 86.9 75.7 62 63 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.882 113.1 49.7 -66.5 -34.3 -38.7 86.9 79.5 63 64 A Q H X S+ 0 0 68 -4,-3.2 4,-3.1 -5,-0.2 -2,-0.2 0.896 108.0 53.2 -67.8 -38.2 -42.4 87.7 79.1 64 65 A A H X S+ 0 0 15 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.2 0.946 112.1 45.6 -64.7 -40.8 -42.8 84.9 76.7 65 66 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 3,-1.0 0.910 112.5 49.1 -64.9 -50.7 -41.2 82.5 79.2 66 67 A A H ><5S+ 0 0 28 -4,-2.6 3,-2.4 1,-0.2 -2,-0.2 0.956 108.7 54.8 -53.3 -46.1 -43.3 83.9 82.1 67 68 A D H 3<5S+ 0 0 113 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.690 107.3 51.5 -60.3 -19.4 -46.4 83.5 79.9 68 69 A N T <<5S- 0 0 32 -3,-1.0 -23,-0.7 -4,-0.7 -1,-0.3 0.102 127.3 -97.8-106.2 16.7 -45.4 79.8 79.5 69 70 A G T < 5S+ 0 0 59 -3,-2.4 2,-0.6 1,-0.2 -3,-0.2 0.628 80.7 133.0 79.6 20.6 -45.0 79.2 83.2 70 71 A I < + 0 0 0 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.2 -0.905 7.5 143.2-109.5 121.8 -41.2 79.6 83.4 71 72 A T + 0 0 40 -2,-0.6 23,-2.1 -24,-0.5 2,-0.5 0.218 57.3 79.8-134.0 10.9 -39.7 81.8 86.1 72 73 A K E + d 0 94A 46 -25,-0.2 -23,-2.6 21,-0.2 2,-0.5 -0.942 55.7 175.1-125.3 107.8 -36.6 79.7 86.9 73 74 A M E -cd 49 95A 0 21,-2.3 23,-1.9 -2,-0.5 2,-0.6 -0.962 10.1-169.2-126.3 120.1 -33.7 80.2 84.4 74 75 A S E -cd 50 96A 0 -25,-3.1 -23,-2.2 -2,-0.5 2,-0.2 -0.935 11.8-148.4-117.5 111.6 -30.2 78.7 84.8 75 76 A L E -c 51 0A 0 21,-2.7 -23,-0.2 -2,-0.6 241,-0.0 -0.559 8.5-153.3 -76.5 145.8 -27.4 79.8 82.5 76 77 A R S S+ 0 0 0 -25,-2.3 -24,-0.1 -2,-0.2 -1,-0.1 0.562 79.4 54.7 -89.2 -16.4 -24.6 77.5 81.5 77 78 A N S S- 0 0 15 -26,-0.3 21,-2.3 2,-0.2 -2,-0.1 -0.291 86.4-111.5-108.6-171.0 -22.1 80.3 81.1 78 79 A V S S+ 0 0 60 19,-0.2 2,-0.1 -2,-0.1 -3,-0.1 0.894 79.9 86.2 -91.3 -53.5 -20.8 83.2 83.2 79 80 A G + 0 0 36 1,-0.1 -2,-0.2 19,-0.1 3,-0.1 -0.338 37.0 174.6 -63.7 134.3 -22.1 86.5 81.8 80 81 A V > + 0 0 34 1,-0.1 3,-1.1 -2,-0.1 -1,-0.1 0.220 52.8 105.1-117.6 15.2 -25.4 87.8 82.9 81 82 A D T 3 + 0 0 161 1,-0.3 -1,-0.1 3,-0.1 4,-0.1 0.406 69.0 61.0 -77.3 -14.8 -25.1 91.1 81.0 82 83 A N T 3 S+ 0 0 25 -3,-0.1 -25,-3.0 -29,-0.1 2,-0.5 0.021 85.0 102.0-102.2 23.3 -27.4 90.4 78.1 83 84 A I B < S-f 57 0B 14 -3,-1.1 2,-1.2 -27,-0.2 -25,-0.2 -0.921 76.6-127.5-107.3 126.2 -30.4 89.9 80.5 84 85 A D > - 0 0 68 -27,-2.3 4,-1.7 -2,-0.5 5,-0.1 -0.434 30.6-175.8 -67.0 95.3 -33.1 92.6 81.0 85 86 A M H > S+ 0 0 53 -2,-1.2 4,-2.5 2,-0.2 5,-0.3 0.834 74.1 58.1 -68.2 -36.7 -32.8 92.6 84.8 86 87 A A H > S+ 0 0 76 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.991 111.1 42.0 -54.7 -56.9 -35.7 95.1 85.4 87 88 A K H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.842 112.3 55.5 -58.3 -39.1 -38.2 92.9 83.6 88 89 A A H <>S+ 0 0 0 -4,-1.7 5,-2.8 2,-0.2 4,-0.4 0.922 111.4 42.2 -62.1 -51.2 -36.8 89.8 85.2 89 90 A K H ><5S+ 0 0 144 -4,-2.5 3,-2.0 3,-0.2 -2,-0.2 0.959 110.2 58.8 -62.0 -42.0 -37.3 91.2 88.7 90 91 A E H 3<5S+ 0 0 148 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.912 110.5 43.6 -50.0 -41.5 -40.7 92.5 87.6 91 92 A L T 3<5S- 0 0 41 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.468 116.8-110.3 -89.4 -0.7 -41.6 88.9 86.8 92 93 A G T < 5 + 0 0 47 -3,-2.0 -3,-0.2 -4,-0.4 -2,-0.1 0.812 53.1 178.6 79.0 27.7 -40.2 87.2 89.9 93 94 A F < - 0 0 5 -5,-2.8 2,-0.5 -6,-0.1 -21,-0.2 -0.355 23.1-157.3 -67.5 141.9 -37.3 85.5 88.1 94 95 A Q E -d 72 0A 92 -23,-2.1 -21,-2.3 -2,-0.1 2,-0.4 -0.994 21.8-172.7-111.8 118.7 -34.8 83.4 89.9 95 96 A I E -d 73 0A 4 -2,-0.5 234,-3.1 234,-0.5 2,-0.3 -0.970 9.6-176.9-123.4 138.2 -31.6 83.2 87.8 96 97 A T E -dE 74 328A 0 -23,-1.9 -21,-2.7 -2,-0.4 2,-0.2 -0.803 1.5-172.2-125.5 164.5 -28.4 81.2 88.2 97 98 A N - 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0 0 109 467,-0.3 4,-0.2 1,-0.2 468,-0.1 -0.635 50.3-155.6 -73.1 130.2 14.7 72.8 56.0 135 136 A W > + 0 0 21 -2,-0.3 3,-1.5 492,-0.2 -1,-0.2 0.946 52.8 116.2 -74.6 -43.9 14.7 73.4 59.8 136 137 A A T 3 S+ 0 0 31 1,-0.3 -2,-0.1 2,-0.1 465,-0.0 -0.374 70.9 13.2 -69.6 146.2 17.1 76.4 59.7 137 138 A P T 3 S+ 0 0 96 0, 0.0 2,-2.3 0, 0.0 -1,-0.3 -0.908 101.9 89.3-105.2 28.9 16.8 79.2 60.4 138 139 A T < + 0 0 12 -3,-1.5 2,-0.1 -4,-0.2 -2,-0.1 -0.353 61.9 177.8 -84.3 63.3 13.5 78.7 62.3 139 140 A I - 0 0 22 -2,-2.3 494,-0.2 1,-0.1 2,-0.2 -0.425 20.5-127.9 -80.5 143.6 15.1 78.0 65.6 140 141 A G B -h 633 0D 0 492,-2.8 494,-2.2 489,-0.2 2,-0.5 -0.550 3.9-140.5 -90.5 154.6 13.0 77.4 68.8 141 142 A R - 0 0 29 -23,-1.7 2,-0.2 492,-0.2 -21,-0.1 -0.954 26.8-127.5-111.2 118.8 13.2 79.0 72.2 142 143 A E > - 0 0 0 -2,-0.5 3,-1.3 1,-0.1 4,-0.2 -0.486 6.1-134.9 -63.8 138.2 12.7 76.5 75.1 143 144 A V G > S+ 0 0 2 1,-0.3 3,-2.1 -2,-0.2 -1,-0.1 0.902 105.7 61.2 -58.2 -43.3 10.1 77.4 77.7 144 145 A R G 3 S+ 0 0 64 1,-0.3 -1,-0.3 23,-0.2 26,-0.2 0.707 97.9 58.3 -61.8 -16.0 12.6 76.4 80.5 145 146 A D G < S+ 0 0 60 -3,-1.3 -1,-0.3 24,-0.1 2,-0.3 0.448 94.3 89.6 -88.4 -5.1 15.0 79.2 79.3 146 147 A Q S < S- 0 0 11 -3,-2.1 24,-1.6 -4,-0.2 2,-0.6 -0.701 71.3-133.7 -99.9 156.3 12.4 82.0 79.8 147 148 A V E -i 170 0E 36 -2,-0.3 53,-2.2 51,-0.2 54,-1.6 -0.907 32.4-154.7 -96.9 114.9 11.4 84.2 82.7 148 149 A V E -ij 171 201E 1 22,-3.2 24,-2.7 -2,-0.6 2,-0.5 -0.924 5.2-158.4-100.4 125.5 7.6 84.0 82.6 149 150 A G E -ij 172 202E 0 52,-3.1 54,-2.1 -2,-0.6 2,-0.6 -0.830 2.9-160.7-104.4 120.4 5.6 87.0 84.0 150 151 A V E -ij 173 203E 0 22,-2.5 24,-2.2 -2,-0.5 2,-0.9 -0.934 3.1-158.5-108.1 117.0 2.1 86.3 85.1 151 152 A V E S+ij 174 204E 4 52,-2.3 54,-3.3 -2,-0.6 24,-0.2 -0.867 72.2 26.5 -97.0 98.7 -0.2 89.3 85.4 152 153 A G - 0 0 0 22,-2.0 23,-0.1 -2,-0.9 54,-0.1 0.268 61.9-151.7 113.6 118.5 -3.0 88.3 87.7 153 154 A T + 0 0 7 24,-0.2 29,-0.1 4,-0.1 22,-0.1 -0.180 52.5 121.2-116.1 42.5 -2.8 85.6 90.4 154 155 A G S > S- 0 0 38 51,-0.5 4,-2.2 4,-0.0 5,-0.2 0.107 87.2 -66.4 -79.5-159.8 -6.4 84.4 90.6 155 156 A H H > S+ 0 0 142 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.938 136.5 43.3 -61.7 -47.0 -7.4 80.8 89.9 156 157 A I H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.945 112.9 50.8 -66.2 -49.9 -6.4 80.9 86.2 157 158 A G H > S+ 0 0 1 48,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.884 109.1 52.9 -54.4 -41.7 -3.1 82.7 86.8 158 159 A Q H X S+ 0 0 66 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.889 108.2 49.0 -66.5 -36.8 -2.1 80.2 89.5 159 160 A V H X S+ 0 0 21 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.938 110.6 51.7 -66.8 -39.5 -2.7 77.2 87.2 160 161 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.922 107.6 52.7 -61.0 -42.0 -0.7 79.0 84.5 161 162 A M H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.935 108.9 50.3 -55.8 -43.7 2.1 79.5 87.0 162 163 A Q H X S+ 0 0 93 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.915 110.5 48.4 -62.9 -45.6 2.0 75.7 87.8 163 164 A I H X S+ 0 0 1 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.922 112.3 48.1 -62.7 -47.0 2.2 74.7 84.2 164 165 A M H <>S+ 0 0 3 -4,-2.5 5,-1.9 1,-0.2 3,-0.5 0.868 110.8 50.9 -64.2 -36.6 5.1 77.1 83.4 165 166 A E H ><5S+ 0 0 82 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.840 102.9 60.8 -68.2 -29.2 7.0 75.8 86.5 166 167 A G H 3<5S+ 0 0 11 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.783 102.8 51.5 -65.2 -30.5 6.5 72.3 85.3 167 168 A F T 3<5S- 0 0 3 -4,-0.9 -1,-0.3 -3,-0.5 -23,-0.2 0.641 122.6-111.2 -77.9 -18.5 8.4 73.2 82.2 168 169 A G T < 5 + 0 0 39 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.570 66.9 147.1 98.6 10.0 11.2 74.5 84.4 169 170 A A < - 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0 0 17 -16,-2.4 -14,-0.3 -2,-0.2 6,-0.1 -0.756 27.4-121.1 -99.8 157.2 17.7 146.6 56.8 1186 191 D D S S+ 0 0 126 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.817 85.5 16.6 -73.6 -32.1 18.1 150.3 55.9 1187 192 D S >> - 0 0 41 1,-0.1 4,-1.5 -17,-0.0 3,-0.6 -0.980 69.9-116.5-137.7 165.6 21.6 150.1 54.6 1188 193 D L H 3> S+ 0 0 38 -2,-0.3 4,-2.9 1,-0.3 3,-0.4 0.905 116.8 60.0 -60.5 -41.3 24.3 147.7 53.3 1189 194 D D H 3> S+ 0 0 70 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.865 103.2 50.8 -56.7 -39.7 26.4 148.8 56.3 1190 195 D D H <> S+ 0 0 53 -3,-0.6 4,-1.3 2,-0.2 -1,-0.3 0.855 109.7 50.5 -63.7 -37.0 23.6 147.5 58.6 1191 196 D L H >X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.4 3,-0.6 0.962 111.4 48.1 -65.6 -45.7 23.6 144.2 56.7 1192 197 D Y H 3< S+ 0 0 6 -4,-2.9 29,-0.8 1,-0.3 -2,-0.2 0.858 109.4 53.4 -60.6 -42.4 27.4 143.9 57.1 1193 198 D K H 3< S+ 0 0 149 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.808 120.3 31.3 -60.1 -40.9 27.2 144.7 60.8 1194 199 D Q H << S+ 0 0 75 -4,-1.3 2,-0.4 -3,-0.6 -2,-0.2 0.643 96.7 97.3 -94.0 -25.2 24.7 142.0 61.5 1195 200 D A < + 0 0 0 -4,-2.4 26,-0.7 1,-0.1 -51,-0.2 -0.596 35.9 179.2 -86.9 134.5 25.4 139.2 59.0 1196 201 D D S S+ 0 0 17 -53,-2.4 29,-2.3 -2,-0.4 2,-0.4 0.718 87.4 34.4 -88.3 -32.1 27.4 136.0 59.6 1197 202 D V E S-bd11441225Y 1 -54,-1.7 -52,-3.7 27,-0.2 2,-0.5 -0.999 70.3-169.7-124.3 131.9 26.8 134.9 56.0 1198 203 D I E -bd11451226Y 0 27,-3.0 29,-2.5 -2,-0.4 2,-0.4 -0.985 4.4-176.5-125.5 121.9 26.5 137.3 53.1 1199 204 D S E -bd11461227Y 0 -54,-2.4 -52,-2.4 -2,-0.5 2,-0.5 -0.990 18.5-137.7-122.1 133.7 25.2 136.1 49.7 1200 205 D L E +bd11471228Y 0 27,-2.1 29,-0.6 -2,-0.4 30,-0.2 -0.774 31.7 159.0 -98.5 126.8 25.1 138.3 46.6 1201 206 D H + 0 0 19 -54,-2.7 -51,-0.5 -2,-0.5 -48,-0.3 -0.396 42.8 104.4-139.1 44.4 22.0 138.2 44.3 1202 207 D V S S- 0 0 18 -54,-0.1 29,-0.1 -53,-0.1 32,-0.1 -0.944 72.1-104.4-122.8 155.6 22.2 141.5 42.5 1203 208 D P - 0 0 62 0, 0.0 2,-1.4 0, 0.0 5,-0.1 -0.372 35.4-110.4 -73.1 153.7 23.3 142.4 39.0 1204 209 D D + 0 0 49 -2,-0.1 5,-0.1 26,-0.1 28,-0.0 -0.266 58.0 156.6 -85.4 51.7 26.7 144.1 38.5 1205 210 D V >> - 0 0 72 -2,-1.4 3,-2.3 1,-0.1 4,-0.7 -0.297 62.9 -91.2 -67.4 165.8 25.2 147.4 37.5 1206 211 D P G >4 S+ 0 0 116 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.864 125.5 59.0 -52.5 -40.0 27.7 150.3 38.1 1207 212 D A G 34 S+ 0 0 92 1,-0.3 -3,-0.1 3,-0.0 -2,-0.0 0.688 110.0 45.2 -60.4 -25.5 26.5 151.0 41.7 1208 213 D N G X4 S+ 0 0 33 -3,-2.3 3,-1.8 -5,-0.1 -1,-0.3 0.499 79.6 123.7-102.4 0.2 27.4 147.4 42.7 1209 214 D V T << S- 0 0 66 -3,-1.2 25,-0.3 -4,-0.7 27,-0.1 -0.296 91.9 -5.5 -69.4 127.6 30.8 147.1 41.0 1210 215 D H T 3 S+ 0 0 61 23,-3.1 -1,-0.3 1,-0.1 25,-0.2 0.862 82.9 153.2 55.9 37.8 33.4 146.1 43.6 1211 216 D M < + 0 0 18 -3,-1.8 2,-0.8 23,-0.7 24,-0.2 0.799 63.4 66.0 -62.4 -30.7 30.8 146.4 46.4 1212 217 D I B S+g 1235 0Z 0 22,-2.0 24,-2.2 -4,-0.2 2,-0.2 -0.868 78.7 131.7 -91.6 106.7 32.8 143.8 48.3 1213 218 D N S > S- 0 0 45 -2,-0.8 4,-2.7 22,-0.1 5,-0.3 -0.832 73.1 -73.7-144.6-176.4 36.1 145.7 49.0 1214 219 D D H > S+ 0 0 73 -2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.862 128.3 47.3 -53.8 -42.6 38.6 146.5 51.8 1215 220 D E H > S+ 0 0 137 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.880 114.4 44.3 -67.3 -47.0 36.2 149.0 53.4 1216 221 D S H >> S+ 0 0 7 2,-0.2 4,-0.9 1,-0.2 3,-0.6 0.914 112.1 52.4 -68.0 -40.0 33.1 146.8 53.3 1217 222 D I H >< S+ 0 0 8 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.892 104.6 57.5 -61.0 -37.1 35.0 143.7 54.5 1218 223 D A H 3< S+ 0 0 68 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.855 106.4 49.4 -61.9 -34.0 36.2 145.8 57.4 1219 224 D K H << S+ 0 0 103 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.603 95.0 97.0 -77.1 -17.6 32.6 146.5 58.4 1220 225 D M S << S- 0 0 7 -4,-0.9 -27,-0.2 -3,-0.8 -28,-0.1 -0.316 84.7 -91.2 -70.2 162.6 31.6 142.8 58.2 1221 226 D K > - 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