==== 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(NAD(A)-CHOH(D)) 23-SEP-92 2CMD . COMPND 2 MOLECULE: MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.D.HALL,L.J.BANASZAK . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 0.3 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 . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 0 0 0 1 0 0 0 1 1 1 0 0 2 0 0 0 1 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 . 2 0 1 1 0 0 1 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 0 0 0 0 0 0 0 0 1 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 A M 0 0 63 0, 0.0 28,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 142.3 18.9 10.2 -3.9 2 2 A K E -a 29 0A 21 67,-0.3 69,-2.8 26,-0.2 70,-1.6 -0.943 360.0-167.9-112.9 127.9 18.7 6.4 -4.4 3 3 A V E -ab 30 72A 2 26,-2.7 28,-2.4 -2,-0.5 2,-0.5 -0.963 4.4-158.9-111.9 124.6 16.8 4.3 -1.8 4 4 A A E -ab 31 73A 0 68,-2.7 70,-2.8 -2,-0.5 2,-0.6 -0.918 1.8-158.1-100.0 130.8 17.1 0.5 -1.8 5 5 A V E > -ab 32 74A 0 26,-2.7 28,-2.3 -2,-0.5 2,-0.6 -0.953 5.1-163.7-105.3 112.6 14.4 -1.7 -0.2 6 6 A L E 3 S+ab 33 75A 1 68,-2.7 70,-2.8 -2,-0.6 71,-1.0 -0.909 81.2 31.7 -97.9 117.7 15.7 -5.2 0.8 7 7 A G T > S+ 0 0 2 26,-3.2 3,-1.2 -2,-0.6 6,-0.5 0.629 74.4 156.4 103.7 32.7 12.7 -7.4 1.3 8 8 A A T < + 0 0 0 25,-2.1 26,-0.2 -3,-0.6 9,-0.2 0.635 60.4 60.2 -73.4 -15.9 10.5 -5.7 -1.2 9 9 A A T 3 S+ 0 0 19 24,-0.2 -1,-0.3 4,-0.1 25,-0.1 0.643 86.2 89.6 -89.9 -13.3 8.1 -8.6 -1.9 10 10 A G S <> S- 0 0 35 -3,-1.2 4,-2.4 1,-0.1 5,-0.2 -0.170 95.5 -94.5 -74.7 176.4 6.7 -9.1 1.6 11 11 A G H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.911 126.8 42.4 -58.2 -46.9 3.7 -7.3 3.1 12 12 A I H > S+ 0 0 32 64,-0.2 4,-2.6 2,-0.2 5,-0.2 0.937 113.4 53.0 -62.6 -48.7 5.8 -4.6 4.7 13 13 A G H > S+ 0 0 0 -6,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.866 109.1 48.1 -61.1 -36.0 8.0 -4.2 1.6 14 14 A Q H X S+ 0 0 85 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.913 113.3 46.0 -73.7 -41.6 5.1 -3.7 -0.9 15 15 A A H X S+ 0 0 17 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.922 115.2 48.3 -61.9 -45.2 3.3 -1.1 1.2 16 16 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.909 111.0 50.7 -57.7 -49.7 6.6 0.7 1.8 17 17 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.920 109.3 50.6 -60.5 -43.4 7.4 0.6 -1.9 18 18 A L H X S+ 0 0 78 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.912 112.9 45.8 -58.8 -48.1 4.0 2.0 -2.9 19 19 A L H X S+ 0 0 31 -4,-2.1 4,-1.6 2,-0.2 5,-0.2 0.940 114.5 47.7 -64.0 -41.7 4.3 4.9 -0.4 20 20 A L H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.913 108.6 54.5 -66.2 -38.7 7.9 5.7 -1.5 21 21 A K H < S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.885 117.4 37.1 -60.2 -42.0 7.1 5.6 -5.2 22 22 A T H < S+ 0 0 59 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.695 126.9 34.8 -86.1 -14.5 4.3 8.2 -4.6 23 23 A Q H < S+ 0 0 92 -4,-1.6 -3,-0.2 -3,-0.2 -2,-0.2 0.632 83.0 104.6-121.7 -17.5 6.1 10.3 -2.0 24 24 A L S < S- 0 0 12 -4,-2.8 28,-0.1 -5,-0.2 4,-0.1 -0.298 82.4 -89.4 -58.5 151.6 9.8 10.5 -2.7 25 25 A P > - 0 0 42 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.266 52.0 -89.1 -58.5 145.4 11.1 13.7 -4.2 26 26 A S T 3 S+ 0 0 103 1,-0.2 27,-0.2 -3,-0.1 3,-0.1 -0.212 116.2 35.5 -49.4 140.6 11.2 14.1 -8.1 27 27 A G T 3 S+ 0 0 61 25,-2.6 -1,-0.2 1,-0.3 26,-0.2 0.376 89.6 131.3 92.1 -9.7 14.5 12.8 -9.5 28 28 A S < - 0 0 2 -3,-1.8 26,-1.8 24,-0.5 2,-0.4 -0.364 47.6-140.5 -72.9 159.5 14.8 10.0 -6.9 29 29 A E E -ac 2 54A 73 -28,-2.4 -26,-2.7 24,-0.2 2,-0.4 -0.976 11.4-165.8-121.2 141.9 15.6 6.4 -7.6 30 30 A L E -ac 3 55A 0 24,-3.1 26,-1.8 -2,-0.4 2,-0.4 -0.990 3.1-171.4-128.2 121.6 14.0 3.4 -5.9 31 31 A S E -ac 4 56A 0 -28,-2.4 -26,-2.7 -2,-0.4 2,-0.4 -0.957 7.6-156.4-116.3 134.0 15.5 -0.1 -6.2 32 32 A L E -ac 5 57A 0 24,-2.8 26,-2.2 -2,-0.4 2,-0.4 -0.880 11.6-178.6-109.6 138.4 13.6 -3.2 -4.9 33 33 A Y E +ac 6 58A 5 -28,-2.3 -26,-3.2 -2,-0.4 -25,-2.1 -0.998 15.4 140.9-137.9 132.5 15.3 -6.5 -4.0 34 34 A D - 0 0 23 24,-1.6 26,-0.3 -2,-0.4 5,-0.1 -0.937 50.9-125.2-154.3 157.5 13.9 -9.8 -2.7 35 35 A I S S+ 0 0 94 -2,-0.3 25,-0.6 24,-0.2 24,-0.1 0.748 84.3 105.4 -74.8 -21.0 14.9 -13.4 -3.4 36 36 A A S > S- 0 0 28 1,-0.1 3,-1.6 23,-0.1 -2,-0.2 -0.352 75.6-136.6 -55.9 130.6 11.2 -14.0 -4.3 37 37 A P T 3 S+ 0 0 115 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.707 98.1 71.1 -75.0 -11.7 11.0 -14.2 -8.2 38 38 A V T >> S+ 0 0 82 1,-0.2 4,-1.3 2,-0.1 3,-0.7 0.657 74.2 94.0 -69.4 -15.0 7.9 -12.0 -8.2 39 39 A T H <> S+ 0 0 0 -3,-1.6 4,-1.8 1,-0.3 3,-0.4 0.848 78.5 50.3 -58.9 -43.1 10.1 -9.0 -7.3 40 40 A P H 3> S+ 0 0 51 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.895 111.0 52.6 -61.7 -31.8 10.9 -7.6 -10.8 41 41 A G H <> S+ 0 0 42 -3,-0.7 4,-2.1 -4,-0.4 -2,-0.2 0.769 102.2 57.4 -72.9 -26.8 7.1 -7.7 -11.5 42 42 A V H X S+ 0 0 10 -4,-1.3 4,-2.3 -3,-0.4 -1,-0.2 0.923 108.6 48.6 -65.6 -36.7 6.4 -5.7 -8.3 43 43 A A H X S+ 0 0 5 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.910 109.7 49.5 -68.7 -41.9 8.6 -3.0 -9.8 44 44 A V H X S+ 0 0 82 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.934 109.7 53.9 -62.7 -43.8 6.9 -3.1 -13.2 45 45 A D H >< S+ 0 0 109 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.967 113.5 41.0 -49.7 -56.8 3.5 -2.8 -11.4 46 46 A L H >< S+ 0 0 12 -4,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.799 101.3 71.5 -66.6 -30.5 4.8 0.4 -9.5 47 47 A S H 3< S+ 0 0 57 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.650 86.9 68.0 -64.4 -12.2 6.5 1.8 -12.7 48 48 A H T << S+ 0 0 146 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.515 76.0 99.1 -85.9 0.2 3.1 2.5 -14.1 49 49 A I S < S- 0 0 51 -3,-2.1 2,-2.3 -4,-0.1 -3,-0.0 -0.709 82.3-122.2 -90.5 125.9 2.4 5.2 -11.5 50 50 A P + 0 0 129 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.378 66.6 115.9 -77.8 75.8 3.0 8.7 -12.9 51 51 A T S S- 0 0 51 -2,-2.3 2,-1.9 2,-0.2 -28,-0.1 -0.949 75.0-107.6-132.1 159.7 5.6 10.2 -10.6 52 52 A A S S+ 0 0 57 -2,-0.3 -25,-2.6 -28,-0.1 -24,-0.5 -0.276 81.1 110.4 -86.0 57.1 9.2 11.3 -11.3 53 53 A V - 0 0 7 -2,-1.9 2,-0.4 -27,-0.2 -24,-0.2 -0.987 61.7-139.6-133.5 114.0 10.8 8.4 -9.4 54 54 A K E -c 29 0A 149 -26,-1.8 -24,-3.1 -2,-0.4 2,-0.4 -0.638 23.1-167.3 -72.9 135.0 12.6 5.7 -11.4 55 55 A I E +c 30 0A 23 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.956 13.6 173.6-130.9 136.0 12.0 2.1 -10.1 56 56 A K E -c 31 0A 59 -26,-1.8 -24,-2.8 -2,-0.4 2,-0.3 -0.986 15.5-149.8-135.5 149.4 13.8 -1.2 -10.8 57 57 A G E -c 32 0A 16 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.929 10.0-167.6-124.9 144.9 13.3 -4.6 -9.2 58 58 A F E -c 33 0A 57 -26,-2.2 -24,-1.6 -2,-0.3 2,-0.2 -0.984 3.2-173.6-134.7 149.4 15.8 -7.4 -8.7 59 59 A S + 0 0 43 -2,-0.3 3,-0.3 -26,-0.2 -24,-0.2 -0.585 38.8 59.1-129.5 179.4 15.6 -11.0 -7.7 60 60 A G S S- 0 0 32 -25,-0.6 -2,-0.1 -26,-0.3 -24,-0.0 -0.417 94.3 -55.7 94.5-172.2 18.0 -13.9 -6.9 61 61 A E S S+ 0 0 147 -2,-0.1 2,-0.6 1,-0.1 -1,-0.2 0.636 111.2 76.0 -84.9 -18.0 20.7 -14.4 -4.3 62 62 A D + 0 0 89 -3,-0.3 4,-0.2 1,-0.1 -1,-0.1 -0.873 47.0 177.2-107.3 115.3 22.8 -11.3 -5.2 63 63 A A >> + 0 0 0 -2,-0.6 4,-1.5 1,-0.2 3,-0.9 0.489 54.4 105.0 -89.4 -8.5 21.5 -7.9 -4.0 64 64 A T H 3> S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.834 76.0 53.8 -39.1 -50.8 24.5 -6.0 -5.4 65 65 A P H 34 S+ 0 0 55 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.886 110.1 48.0 -59.8 -38.9 22.7 -4.5 -8.4 66 66 A A H <4 S+ 0 0 0 -3,-0.9 -2,-0.2 -4,-0.2 -35,-0.1 0.808 114.5 48.7 -64.9 -27.8 20.0 -3.1 -6.1 67 67 A L H >< S+ 0 0 0 -4,-1.5 3,-2.3 -3,-0.3 -1,-0.2 0.690 76.0 116.6 -92.8 -23.8 22.7 -1.7 -3.8 68 68 A E T 3< S- 0 0 106 -4,-1.8 41,-0.1 1,-0.3 40,-0.0 -0.277 95.0 -3.8 -49.4 123.7 25.0 0.1 -6.3 69 69 A G T 3 S+ 0 0 58 39,-0.4 -67,-0.3 1,-0.2 -1,-0.3 0.583 90.7 159.4 67.0 13.4 25.0 3.8 -5.5 70 70 A A < - 0 0 7 -3,-2.3 -1,-0.2 1,-0.1 -67,-0.2 -0.430 25.3-175.1 -72.2 134.7 22.3 3.6 -2.7 71 71 A D S S+ 0 0 61 -69,-2.8 42,-2.4 1,-0.3 2,-0.4 0.656 78.0 28.4 -94.9 -30.1 22.2 6.5 -0.2 72 72 A V E -bd 3 113A 0 -70,-1.6 -68,-2.7 40,-0.2 2,-0.5 -0.998 66.8-166.8-132.4 134.4 19.6 4.9 2.0 73 73 A V E -bd 4 114A 0 40,-2.9 42,-3.1 -2,-0.4 2,-0.5 -0.996 3.4-165.7-125.8 124.2 18.9 1.1 2.5 74 74 A L E -bd 5 115A 1 -70,-2.8 -68,-2.7 -2,-0.5 2,-0.7 -0.957 6.9-157.9-112.2 116.8 15.7 -0.0 4.3 75 75 A I E +bd 6 116A 0 40,-3.0 42,-2.6 -2,-0.5 43,-1.2 -0.879 30.5 149.2-106.8 107.1 15.7 -3.7 5.4 76 76 A S + 0 0 12 -70,-2.8 -69,-0.2 -2,-0.7 -63,-0.2 0.343 29.3 125.5-118.8 10.1 12.4 -5.3 5.9 77 77 A A + 0 0 15 -71,-1.0 2,-0.2 41,-0.1 40,-0.1 -0.268 37.2 89.3 -66.2 147.9 13.1 -8.9 5.0 78 78 A G S S- 0 0 41 40,-0.1 2,-0.2 19,-0.1 16,-0.1 -0.589 71.0 -74.8 143.3 160.5 12.1 -11.6 7.6 79 79 A V - 0 0 81 -2,-0.2 2,-0.3 11,-0.2 40,-0.2 -0.536 40.6-129.0 -83.3 146.8 9.4 -13.9 9.0 80 80 A R - 0 0 91 -2,-0.2 2,-0.1 1,-0.1 141,-0.0 -0.731 24.4-112.2 -84.4 156.9 6.4 -12.7 11.0 81 81 A R - 0 0 10 -2,-0.3 140,-0.2 4,-0.1 138,-0.1 -0.332 23.3-136.1 -86.5 156.0 5.3 -14.2 14.3 82 82 A K > - 0 0 119 1,-0.1 3,-2.0 4,-0.1 133,-0.1 -0.718 43.6 -67.5-102.1 162.8 2.1 -16.1 14.9 83 83 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.173 122.9 28.6 -50.2 131.2 -0.4 -15.8 17.9 84 84 A G T 3 S+ 0 0 78 1,-0.3 2,-0.3 127,-0.1 127,-0.0 0.336 100.0 105.3 95.1 -9.9 1.3 -17.0 21.1 85 85 A M < - 0 0 66 -3,-2.0 -1,-0.3 126,-0.1 2,-0.2 -0.725 60.0-138.4 -96.9 159.6 4.9 -16.1 20.1 86 86 A D > - 0 0 79 -2,-0.3 3,-1.1 -3,-0.1 4,-0.2 -0.711 29.5-108.3-104.1 163.0 7.0 -13.2 21.2 87 87 A R G > S+ 0 0 9 -2,-0.2 3,-2.0 1,-0.2 4,-0.1 0.866 117.9 59.7 -53.7 -44.0 9.3 -11.1 18.9 88 88 A S G > S+ 0 0 54 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.740 89.5 71.6 -62.3 -21.4 12.4 -12.6 20.4 89 89 A D G < S+ 0 0 85 -3,-1.1 3,-0.3 1,-0.3 -1,-0.3 0.614 87.9 66.4 -67.6 -13.8 11.2 -16.1 19.3 90 90 A L G <> S+ 0 0 4 -3,-2.0 4,-2.4 -4,-0.2 3,-0.4 0.491 72.3 95.6 -83.5 -3.9 12.0 -14.8 15.7 91 91 A F H <> S+ 0 0 22 -3,-1.6 4,-2.3 1,-0.2 5,-0.3 0.912 78.7 54.8 -56.5 -43.8 15.7 -14.7 16.4 92 92 A N H 4 S+ 0 0 137 -3,-0.3 4,-0.3 -4,-0.2 -1,-0.2 0.839 116.7 34.1 -61.2 -40.6 16.4 -18.2 14.9 93 93 A V H 4 S+ 0 0 79 -3,-0.4 4,-0.5 -4,-0.2 -1,-0.2 0.871 125.0 38.7 -84.4 -32.0 14.9 -17.5 11.5 94 94 A N H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.727 95.5 75.1 -97.3 -24.8 15.7 -13.8 11.0 95 95 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.907 99.3 46.4 -54.1 -50.1 19.3 -13.5 12.4 96 96 A G H > S+ 0 0 38 -4,-0.3 4,-2.3 -5,-0.3 -1,-0.2 0.858 108.6 55.9 -63.6 -35.8 20.9 -15.1 9.4 97 97 A I H > S+ 0 0 58 -4,-0.5 4,-2.5 2,-0.2 5,-0.2 0.947 110.3 45.0 -58.3 -49.3 18.9 -13.1 6.9 98 98 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.915 111.9 51.9 -65.4 -43.7 20.1 -9.8 8.4 99 99 A K H X S+ 0 0 76 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.928 111.9 46.8 -55.6 -50.1 23.7 -10.9 8.6 100 100 A N H X S+ 0 0 65 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.937 114.8 45.0 -60.3 -49.0 23.7 -12.0 5.0 101 101 A L H X S+ 0 0 8 -4,-2.5 4,-1.9 1,-0.2 3,-0.2 0.920 111.1 51.8 -66.7 -40.1 22.0 -8.8 3.7 102 102 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.849 103.9 59.0 -69.7 -27.5 24.2 -6.4 5.8 103 103 A Q H X S+ 0 0 71 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.909 106.7 47.7 -60.6 -41.1 27.4 -8.2 4.4 104 104 A Q H X S+ 0 0 22 -4,-1.3 4,-2.1 -3,-0.2 5,-0.3 0.886 111.2 50.6 -68.5 -37.8 26.3 -7.2 0.9 105 105 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.916 106.5 55.5 -60.4 -46.7 25.6 -3.7 2.1 106 106 A A H < S+ 0 0 7 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.854 114.6 39.0 -58.7 -37.7 29.1 -3.5 3.7 107 107 A K H < S+ 0 0 131 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.854 126.1 31.9 -75.4 -42.4 30.8 -4.4 0.3 108 108 A T H < S+ 0 0 28 -4,-2.1 -39,-0.4 1,-0.2 -3,-0.2 0.854 134.7 9.3 -92.7 -45.7 28.6 -2.4 -2.1 109 109 A C >< + 0 0 9 -4,-2.2 3,-2.1 -5,-0.3 -1,-0.2 -0.385 63.4 160.7-137.7 65.5 27.4 0.8 -0.3 110 110 A P T 3 S+ 0 0 48 0, 0.0 29,-0.1 0, 0.0 -4,-0.1 0.675 75.8 57.4 -64.2 -16.8 29.3 1.1 3.0 111 111 A K T 3 S+ 0 0 173 -41,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.397 83.4 111.0 -97.1 5.2 28.5 4.8 3.2 112 112 A A S < S- 0 0 2 -3,-2.1 2,-0.4 -7,-0.2 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