==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-MAR-01 1IB6 . COMPND 2 MOLECULE: MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.K.BELL,H.P.YENNAWAR,S.K.WRIGHT,J.R.THOMPSON,R.E.VIOLA, . 1248 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 918 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 4 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 . 4 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 . 91 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 453 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 4 0 0 0 5 2 0 0 2 4 5 4 0 0 8 0 0 2 0 0 0 2 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 8 7 1 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 0 4 4 0 0 4 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 4 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 64 0, 0.0 28,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.3 -10.3 -9.6 54.0 2 2 A K E -a 29 0A 25 67,-0.2 69,-3.3 26,-0.2 70,-2.3 -0.997 360.0-165.2-130.8 127.0 -11.1 -9.2 57.6 3 3 A V E -ab 30 72A 1 26,-2.5 28,-3.2 -2,-0.4 2,-0.5 -0.940 4.2-160.4-113.4 132.5 -10.0 -6.4 59.8 4 4 A A E -ab 31 73A 0 68,-2.7 70,-3.0 -2,-0.4 2,-0.6 -0.964 1.4-160.6-115.0 121.0 -10.1 -6.6 63.6 5 5 A V E > -ab 32 74A 1 26,-3.1 28,-1.8 -2,-0.5 2,-0.6 -0.924 6.3-162.9-104.3 119.6 -10.0 -3.5 65.7 6 6 A L E 3 S+ab 33 75A 0 68,-3.5 70,-2.6 -2,-0.6 71,-1.1 -0.897 79.3 28.9-103.5 122.6 -9.0 -4.1 69.3 7 7 A G T > S+ 0 0 5 26,-3.9 3,-1.0 -2,-0.6 6,-0.5 0.707 78.1 156.9 98.7 34.0 -9.9 -1.2 71.7 8 8 A A T < + 0 0 0 25,-2.0 9,-0.2 -3,-0.5 26,-0.2 0.503 56.0 62.6 -71.4 -10.9 -12.8 -0.3 69.5 9 9 A A T 3 S+ 0 0 16 24,-0.2 -1,-0.2 4,-0.1 25,-0.1 0.552 85.5 87.7 -97.2 -6.5 -14.9 1.6 72.0 10 10 A G S <> S- 0 0 35 -3,-1.0 4,-2.3 1,-0.1 5,-0.2 -0.095 96.9 -91.2 -79.1-177.0 -12.5 4.4 72.8 11 11 A G H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.885 126.8 40.7 -66.3 -39.5 -12.2 7.7 70.9 12 12 A I H > S+ 0 0 39 2,-0.2 4,-2.9 64,-0.2 5,-0.3 0.963 115.1 53.5 -70.4 -50.0 -9.6 6.5 68.4 13 13 A G H > S+ 0 0 1 -6,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.860 112.2 42.8 -50.9 -45.5 -11.3 3.1 68.0 14 14 A Q H X S+ 0 0 46 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.919 113.9 48.2 -73.4 -44.9 -14.6 4.6 67.2 15 15 A A H X S+ 0 0 10 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.901 115.1 49.7 -59.0 -39.1 -13.4 7.3 64.8 16 16 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.931 109.2 49.4 -66.4 -46.1 -11.3 4.5 63.2 17 17 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.889 108.8 54.7 -64.1 -33.8 -14.2 2.1 62.8 18 18 A L H X S+ 0 0 1 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.937 111.8 42.8 -61.7 -49.2 -16.3 4.9 61.3 19 19 A L H X S+ 0 0 1 -4,-1.9 4,-1.4 1,-0.2 3,-0.4 0.932 114.9 49.3 -67.1 -44.7 -13.7 5.5 58.6 20 20 A L H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.829 105.5 57.6 -64.6 -30.1 -13.1 1.9 57.9 21 21 A K H < S+ 0 0 6 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.859 115.9 35.9 -68.3 -32.1 -16.8 1.0 57.6 22 22 A T H < S+ 0 0 40 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.621 126.4 38.1 -96.0 -12.3 -17.2 3.5 54.8 23 23 A Q H < S+ 0 0 86 -4,-1.4 -3,-0.2 -5,-0.1 -2,-0.2 0.673 81.2 100.6-116.0 -20.0 -13.8 3.0 53.2 24 24 A L S < S- 0 0 10 -4,-2.3 28,-0.1 -5,-0.2 3,-0.1 -0.315 86.0 -85.9 -64.5 157.3 -12.7 -0.6 53.2 25 25 A P > - 0 0 44 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.308 53.5 -91.0 -60.4 145.1 -13.2 -2.5 49.8 26 26 A S T 3 S+ 0 0 47 1,-0.3 27,-0.2 -3,-0.1 3,-0.1 -0.264 115.5 39.1 -55.4 145.7 -16.7 -4.0 49.3 27 27 A G T 3 S+ 0 0 49 25,-2.8 -1,-0.3 1,-0.3 26,-0.1 0.091 87.7 127.1 98.3 -23.1 -16.7 -7.5 50.5 28 28 A S < - 0 0 3 -3,-2.1 26,-1.8 24,-0.2 2,-0.4 -0.148 49.8-140.3 -66.0 162.5 -14.5 -6.8 53.6 29 29 A E E -ac 2 54A 74 -28,-2.2 -26,-2.5 24,-0.2 2,-0.4 -0.970 9.9-160.4-125.2 140.7 -15.5 -7.8 57.1 30 30 A L E -ac 3 55A 2 24,-3.5 26,-1.7 -2,-0.4 2,-0.4 -0.990 4.6-166.9-127.4 122.8 -14.8 -5.6 60.1 31 31 A S E -ac 4 56A 3 -28,-3.2 -26,-3.1 -2,-0.4 2,-0.4 -0.924 6.4-156.3-111.7 130.8 -14.7 -7.0 63.7 32 32 A L E +ac 5 57A 0 24,-2.9 26,-1.7 -2,-0.4 2,-0.3 -0.865 13.3 176.8-111.2 145.1 -14.8 -4.8 66.7 33 33 A Y E +ac 6 58A 7 -28,-1.8 -26,-3.9 -2,-0.4 -25,-2.0 -0.966 13.6 138.0-151.3 134.2 -13.6 -5.6 70.2 34 34 A D - 0 0 26 24,-1.5 26,-0.3 -2,-0.3 5,-0.1 -0.948 51.8-122.1-162.2 157.2 -13.2 -3.9 73.5 35 35 A I S S+ 0 0 113 -2,-0.3 25,-0.6 24,-0.2 -1,-0.1 0.794 84.9 103.9 -76.6 -29.4 -13.8 -4.9 77.1 36 36 A A S > S- 0 0 29 1,-0.2 3,-1.4 23,-0.1 -2,-0.2 -0.292 78.0-132.9 -53.6 132.2 -16.3 -2.0 77.4 37 37 A P T 3 S+ 0 0 101 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.635 99.0 69.9 -61.9 -17.0 -19.9 -3.4 77.3 38 38 A V T >> S+ 0 0 29 1,-0.2 3,-1.7 2,-0.1 4,-1.4 0.738 72.5 93.3 -74.3 -23.1 -21.0 -0.8 74.7 39 39 A T H X> S+ 0 0 0 -3,-1.4 4,-1.9 1,-0.3 3,-0.7 0.812 81.2 49.6 -40.5 -56.6 -18.8 -2.4 71.9 40 40 A P H 3> S+ 0 0 44 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.849 111.0 54.2 -58.9 -25.9 -21.4 -4.7 70.3 41 41 A G H <> S+ 0 0 0 -3,-1.7 4,-1.7 488,-0.5 489,-0.3 0.828 102.7 56.0 -72.7 -33.0 -23.7 -1.6 70.3 42 42 A V H < S+ 0 0 0 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.942 114.8 43.1 -62.7 -52.1 -24.8 1.6 65.1 46 46 A L H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.3 -2,-0.2 0.811 100.1 71.3 -67.8 -26.7 -22.2 1.3 62.3 47 47 A S T 3< S+ 0 0 37 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.651 87.0 68.8 -67.6 -7.3 -24.1 -1.6 60.7 48 48 A H T < S+ 0 0 2 -3,-1.3 421,-0.3 -4,-0.3 -1,-0.3 0.573 74.4 96.0 -85.5 -10.0 -26.7 1.0 59.7 49 49 A I S < S- 0 0 3 -3,-2.2 2,-2.1 -4,-0.1 417,-0.1 -0.691 83.1-124.1 -81.0 124.7 -24.4 2.7 57.2 50 50 A P + 0 0 27 0, 0.0 2,-0.3 0, 0.0 432,-0.1 -0.416 65.1 120.9 -73.2 72.4 -25.2 1.2 53.7 51 51 A T S S- 0 0 39 -2,-2.1 2,-1.5 2,-0.2 -29,-0.1 -0.927 73.4-109.5-128.9 156.8 -21.8 -0.0 52.6 52 52 A A S S+ 0 0 27 -2,-0.3 -25,-2.8 -28,-0.1 2,-0.5 -0.286 82.0 110.6 -84.4 51.1 -20.8 -3.6 51.6 53 53 A V - 0 0 6 -2,-1.5 2,-0.3 -27,-0.2 -2,-0.2 -0.988 62.1-142.2-126.6 114.2 -18.7 -4.1 54.7 54 54 A K E -c 29 0A 118 -26,-1.8 -24,-3.5 -2,-0.5 2,-0.4 -0.623 24.5-173.3 -77.4 130.7 -20.0 -6.6 57.3 55 55 A I E +c 30 0A 16 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.988 12.8 170.8-134.2 138.5 -19.4 -5.5 60.9 56 56 A K E -c 31 0A 85 -26,-1.7 -24,-2.9 -2,-0.4 2,-0.3 -0.956 18.7-142.1-140.7 154.5 -19.9 -7.1 64.2 57 57 A G E -c 32 0A 14 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.905 11.0-168.6-122.3 151.8 -18.8 -6.2 67.8 58 58 A F E -c 33 0A 62 -26,-1.7 -24,-1.5 -2,-0.3 2,-0.2 -0.986 3.9-177.6-139.3 146.5 -17.6 -8.2 70.7 59 59 A S + 0 0 42 -2,-0.3 2,-0.2 -26,-0.2 -24,-0.2 -0.723 38.3 69.8-130.6-178.9 -17.1 -7.4 74.4 60 60 A G S S- 0 0 36 -25,-0.6 -2,-0.1 -26,-0.3 3,-0.0 -0.663 92.8 -61.1 106.3-165.0 -15.8 -9.4 77.3 61 61 A E S S+ 0 0 171 -2,-0.2 2,-0.6 1,-0.1 -1,-0.2 0.728 111.3 70.3 -95.9 -30.8 -12.4 -10.7 78.2 62 62 A D - 0 0 83 -3,-0.2 4,-0.2 1,-0.1 -1,-0.1 -0.834 52.6-173.6 -99.1 116.0 -11.9 -13.0 75.3 63 63 A A >> + 0 0 0 -2,-0.6 3,-1.9 1,-0.2 4,-1.7 0.533 54.9 111.7 -84.0 -4.9 -11.2 -11.4 71.8 64 64 A T H 3> S+ 0 0 53 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.787 73.2 48.3 -36.8 -56.4 -11.3 -14.8 70.1 65 65 A P H 34 S+ 0 0 58 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.810 113.3 50.8 -61.2 -26.6 -14.5 -14.4 68.1 66 66 A A H <4 S+ 0 0 0 -3,-1.9 -2,-0.2 1,-0.2 -35,-0.1 0.828 113.9 44.5 -75.2 -35.8 -13.2 -11.0 66.9 67 67 A L H >< S+ 0 0 0 -4,-1.7 3,-2.3 -3,-0.3 2,-0.3 0.609 77.6 118.8 -84.8 -19.0 -9.9 -12.5 65.9 68 68 A E T 3< S- 0 0 119 -4,-1.6 41,-0.1 1,-0.3 40,-0.0 -0.350 96.3 -6.9 -58.6 113.5 -11.0 -15.7 64.1 69 69 A G T 3 S+ 0 0 46 39,-0.4 -1,-0.3 -2,-0.3 -67,-0.2 0.500 89.9 159.6 80.3 5.4 -9.8 -15.3 60.5 70 70 A A < - 0 0 6 -3,-2.3 -1,-0.2 1,-0.2 -67,-0.2 -0.344 24.6-173.7 -63.6 143.2 -8.6 -11.7 60.8 71 71 A D S S+ 0 0 65 -69,-3.3 42,-2.7 1,-0.3 2,-0.4 0.703 78.4 31.4-102.3 -34.5 -6.0 -10.7 58.1 72 72 A V E -bd 3 113A 0 -70,-2.3 -68,-2.7 40,-0.2 2,-0.5 -0.978 66.4-169.9-126.9 140.2 -5.4 -7.3 59.8 73 73 A V E -bd 4 114A 0 40,-2.3 42,-2.9 -2,-0.4 2,-0.5 -0.980 3.3-167.1-131.2 117.3 -5.5 -6.5 63.5 74 74 A L E -bd 5 115A 0 -70,-3.0 -68,-3.5 -2,-0.5 2,-0.7 -0.900 6.4-157.8-106.4 132.1 -5.3 -2.9 64.6 75 75 A I E +bd 6 116A 0 40,-3.0 42,-3.0 -2,-0.5 43,-1.6 -0.886 31.9 150.3-115.6 102.7 -4.7 -2.3 68.3 76 76 A S + 0 0 15 -70,-2.6 -69,-0.2 -2,-0.7 -63,-0.2 0.287 37.2 128.2-107.5 4.2 -5.8 1.0 69.6 77 77 A A + 0 0 15 -71,-1.1 2,-0.1 41,-0.1 -70,-0.1 -0.019 38.6 58.3 -56.2 160.2 -6.6 -0.3 73.2 78 78 A G S S- 0 0 40 40,-0.1 2,-0.3 19,-0.1 16,-0.1 -0.467 85.6 -51.7 110.1 174.6 -5.1 1.3 76.3 79 79 A V - 0 0 76 11,-0.2 40,-0.2 -2,-0.1 2,-0.1 -0.683 41.9-140.7 -95.4 143.0 -5.1 4.6 78.1 80 80 A A - 0 0 55 -2,-0.3 2,-0.2 1,-0.1 -1,-0.0 -0.359 36.2 -88.6 -89.6 176.2 -4.2 8.0 76.5 81 81 A R - 0 0 17 -2,-0.1 -1,-0.1 4,-0.1 3,-0.1 -0.615 30.6-133.5 -95.8 153.0 -2.2 10.6 78.3 82 82 A K > - 0 0 147 -2,-0.2 3,-1.9 1,-0.1 133,-0.1 -0.565 45.1 -75.5 -94.5 159.5 -3.4 13.4 80.7 83 83 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.297 124.1 24.6 -53.8 134.8 -2.2 17.0 80.5 84 84 A G T 3 S+ 0 0 79 1,-0.4 127,-0.0 -3,-0.1 -3,-0.0 -0.175 101.9 101.6 101.8 -42.0 1.2 17.1 82.0 85 85 A M < - 0 0 53 -3,-1.9 -1,-0.4 1,-0.1 2,-0.3 -0.063 60.9-140.9 -66.9 176.5 2.0 13.4 81.3 86 86 A D - 0 0 82 -3,-0.1 4,-0.4 1,-0.0 3,-0.3 -0.847 29.5-100.6-133.1 168.7 4.2 12.3 78.4 87 87 A R S > S+ 0 0 22 -2,-0.3 3,-1.1 1,-0.2 4,-0.1 0.862 123.0 56.2 -61.1 -33.7 4.1 9.4 75.9 88 88 A S G > S+ 0 0 72 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.870 95.1 67.1 -64.6 -36.3 6.8 7.6 78.0 89 89 A D G 3 S+ 0 0 82 -3,-0.3 4,-0.3 1,-0.3 3,-0.3 0.599 87.7 67.6 -61.6 -14.0 4.6 7.9 81.1 90 90 A L G <> S+ 0 0 1 -3,-1.1 4,-1.8 -4,-0.4 5,-0.3 0.474 70.5 96.3 -87.0 -4.4 1.9 5.5 79.7 91 91 A F H <> S+ 0 0 28 -3,-1.7 4,-2.9 1,-0.2 3,-0.4 0.950 83.3 47.4 -50.1 -55.3 4.2 2.4 79.8 92 92 A N H 4 S+ 0 0 140 -3,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.861 114.3 43.6 -56.1 -43.0 2.9 1.1 83.1 93 93 A V H 4 S+ 0 0 75 -4,-0.3 4,-0.3 1,-0.1 -1,-0.2 0.740 124.0 36.5 -78.6 -19.0 -0.8 1.4 82.5 94 94 A N H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.4 5,-0.3 0.707 91.0 81.8-108.5 -20.3 -0.5 -0.0 78.9 95 95 A A H X S+ 0 0 4 -4,-2.9 4,-2.9 -5,-0.3 5,-0.2 0.941 96.2 46.9 -51.3 -50.5 2.1 -2.8 79.0 96 96 A G H > S+ 0 0 42 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.857 110.0 51.5 -64.8 -35.3 -0.3 -5.4 80.3 97 97 A I H > S+ 0 0 65 -4,-0.3 4,-3.0 2,-0.2 5,-0.3 0.979 112.5 45.9 -64.7 -50.0 -3.1 -4.6 77.9 98 98 A V H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.954 113.1 51.5 -54.1 -50.2 -0.8 -4.9 74.9 99 99 A K H X S+ 0 0 74 -4,-2.9 4,-1.4 -5,-0.3 -1,-0.2 0.930 112.5 44.7 -55.0 -49.2 0.7 -8.1 76.3 100 100 A N H X S+ 0 0 82 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.930 114.5 47.5 -62.6 -46.4 -2.7 -9.7 76.8 101 101 A L H X S+ 0 0 10 -4,-3.0 4,-2.2 1,-0.2 3,-0.3 0.965 110.7 50.5 -61.0 -51.4 -4.1 -8.6 73.5 102 102 A V H X S+ 0 0 1 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.783 106.3 56.8 -59.9 -26.4 -1.1 -9.8 71.5 103 103 A Q H X S+ 0 0 71 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.920 106.7 47.9 -73.4 -38.5 -1.1 -13.1 73.2 104 104 A Q H X S+ 0 0 28 -4,-1.8 4,-2.6 -3,-0.3 5,-0.3 0.901 110.2 52.7 -66.4 -36.5 -4.7 -13.8 72.1 105 105 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.912 108.4 53.1 -60.8 -41.8 -3.7 -12.7 68.5 106 106 A A H < S+ 0 0 10 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.894 112.7 41.1 -62.4 -41.1 -0.9 -15.2 68.7 107 107 A K H < S+ 0 0 163 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.896 127.6 31.3 -76.8 -35.0 -3.2 -18.1 69.7 108 108 A T H < S+ 0 0 28 -4,-2.6 -39,-0.4 -5,-0.2 -2,-0.2 0.869 134.5 8.3 -92.9 -40.8 -5.9 -17.2 67.3 109 109 A C >< + 0 0 10 -4,-3.0 3,-1.2 -5,-0.3 -1,-0.2 -0.469 61.5 162.9-145.7 67.2 -4.5 -15.5 64.1 110 110 A P T 3 S+ 0 0 48 0, 0.0 29,-0.2 0, 0.0 -1,-0.1 0.746 75.3 57.0 -58.5 -25.8 -0.7 -15.7 64.1 111 111 A K T 3 S+ 0 0 168 -41,-0.1 -5,-0.1 -6,-0.1 -40,-0.1 0.673 82.7 107.4 -83.6 -17.4 -0.5 -14.9 60.4 112 112 A A S < S- 0 0 6 -3,-1.2 2,-0.4 -7,-0.2 -40,-0.2 -0.062 76.4-110.1 -58.0 156.3 -2.3 -11.6 60.5 113 113 A C E -d 72 0A 3 -42,-2.7 -40,-2.3 30,-0.1 2,-0.5 -0.792 35.6-145.6 -89.2 136.3 -0.5 -8.2 60.1 114 114 A I E -de 73 143A 4 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