==== 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 02-FEB-99 1B8P . COMPND 2 MOLECULE: PROTEIN (MALATE DEHYDROGENASE); . SOURCE 2 ORGANISM_SCIENTIFIC: AQUASPIRILLUM ARCTICUM; . AUTHOR S.Y.KIM,K.Y.HWANG,S.-H.KIM,Y.S.HAN,Y.CHO . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.0 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 . 2 0.6 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 . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 2 0 0 1 1 1 0 0 0 2 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 1 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 . 2 2 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 3 A K 0 0 146 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.0 16.7 9.8 58.5 2 4 A T - 0 0 116 1,-0.1 0, 0.0 31,-0.1 0, 0.0 -0.273 360.0-107.8 -56.9 130.8 14.9 11.9 55.9 3 5 A P - 0 0 46 0, 0.0 2,-0.4 0, 0.0 32,-0.3 -0.274 25.5-135.5 -63.0 145.6 15.8 11.1 52.3 4 6 A M E -a 35 0A 40 30,-2.1 32,-2.4 79,-0.0 2,-0.6 -0.818 15.2-127.2-101.7 139.8 18.0 13.5 50.3 5 7 A R E -a 36 0A 90 -2,-0.4 78,-2.5 76,-0.3 79,-1.6 -0.797 25.3-168.6 -91.4 120.0 17.0 14.3 46.7 6 8 A V E -ab 37 84A 0 30,-3.2 32,-2.6 -2,-0.6 2,-0.4 -0.957 3.6-160.9-113.6 117.0 19.9 13.7 44.3 7 9 A A E -ab 38 85A 0 77,-2.5 79,-2.6 -2,-0.6 2,-0.4 -0.825 10.1-175.3 -98.5 135.2 19.6 15.1 40.8 8 10 A V E -ab 39 86A 0 30,-2.3 32,-2.8 -2,-0.4 3,-0.4 -0.997 9.4-151.6-134.9 131.0 21.9 13.6 38.1 9 11 A T S S+ 0 0 2 77,-2.1 79,-0.2 -2,-0.4 32,-0.2 -0.514 77.1 28.3 -96.7 168.8 22.2 14.6 34.5 10 12 A G S > S+ 0 0 17 30,-0.2 3,-2.1 78,-0.2 6,-0.4 0.834 75.7 167.6 48.9 40.1 23.2 12.6 31.4 11 13 A A T 3 + 0 0 0 29,-2.3 30,-0.1 -3,-0.4 -1,-0.1 0.562 65.0 53.0 -62.5 -17.6 21.7 9.6 33.3 12 14 A A T 3 S+ 0 0 30 28,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.279 95.2 99.4 -98.5 6.1 21.6 7.2 30.4 13 15 A G S <> S- 0 0 28 -3,-2.1 4,-1.8 -4,-0.1 76,-0.0 -0.320 87.3 -96.0 -87.8 177.7 25.3 7.7 29.7 14 16 A Q H > S+ 0 0 140 2,-0.2 4,-1.0 1,-0.2 5,-0.2 0.892 117.2 48.5 -59.9 -53.5 28.5 5.8 30.6 15 17 A I H >> S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 3,-0.9 0.931 113.0 50.5 -56.3 -44.6 29.7 7.6 33.7 16 18 A C H 3> S+ 0 0 0 -6,-0.4 4,-3.1 1,-0.2 5,-0.4 0.862 99.4 64.1 -62.8 -34.5 26.2 7.4 35.2 17 19 A Y H 3< S+ 0 0 94 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.804 113.3 35.0 -60.4 -28.2 25.9 3.6 34.5 18 20 A S H << S+ 0 0 41 -4,-1.0 4,-0.5 -3,-0.9 -1,-0.2 0.646 122.5 50.4 -93.9 -21.7 28.8 3.1 37.0 19 21 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 3,-0.4 0.923 98.6 56.8 -83.1 -49.5 27.6 6.0 39.2 20 22 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.856 104.0 51.9 -55.6 -42.6 23.9 5.5 39.9 21 23 A F H > S+ 0 0 37 -5,-0.4 4,-1.3 -4,-0.3 -1,-0.2 0.862 110.7 48.8 -65.4 -36.1 24.2 2.0 41.4 22 24 A R H 4>S+ 0 0 81 -4,-0.5 5,-2.3 -3,-0.4 6,-0.4 0.857 110.5 50.1 -73.1 -35.2 26.8 3.1 43.9 23 25 A I H ><5S+ 0 0 2 -4,-2.0 3,-1.6 1,-0.2 6,-0.3 0.957 112.8 47.3 -64.4 -48.0 24.8 6.1 44.9 24 26 A A H 3<5S+ 0 0 1 -4,-2.5 41,-0.4 1,-0.3 -2,-0.2 0.785 105.6 60.6 -62.2 -26.2 21.7 3.9 45.5 25 27 A N T 3<5S- 0 0 71 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.579 121.4-107.8 -78.0 -9.3 24.0 1.4 47.4 26 28 A G T <>5S+ 0 0 4 -3,-1.6 4,-1.1 -4,-0.4 -3,-0.2 0.554 81.2 128.5 93.3 9.8 24.7 4.2 49.9 27 29 A D T 4< - 0 0 14 -4,-1.1 3,-1.2 1,-0.1 -1,-0.3 -0.197 36.5 -90.6 114.1 153.0 26.2 7.1 53.9 31 33 A K T 3 S+ 0 0 133 1,-0.3 -1,-0.1 -4,-0.1 -4,-0.1 0.565 123.9 49.9 -74.8 -11.6 24.7 3.7 54.6 32 34 A D T 3 S+ 0 0 96 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.200 90.9 96.7-109.6 12.2 22.0 5.2 56.8 33 35 A Q < - 0 0 17 -3,-1.2 -4,-0.2 -7,-0.1 -31,-0.1 -0.869 62.8-150.5-113.6 104.1 21.0 7.9 54.3 34 36 A P - 0 0 27 0, 0.0 -30,-2.1 0, 0.0 2,-0.3 -0.354 18.2-156.8 -67.3 146.6 18.0 7.2 52.0 35 37 A V E -ac 4 66A 2 30,-2.4 32,-2.4 -32,-0.3 33,-0.7 -0.931 17.7-153.2-129.6 151.6 18.1 8.8 48.6 36 38 A I E -ac 5 68A 22 -32,-2.4 -30,-3.2 -2,-0.3 2,-0.5 -0.998 21.8-146.5-119.9 121.8 15.6 9.9 46.0 37 39 A L E -ac 6 69A 0 31,-2.3 33,-2.4 -2,-0.5 2,-0.7 -0.818 12.4-170.3 -96.0 127.3 17.1 10.0 42.5 38 40 A Q E -ac 7 70A 7 -32,-2.6 -30,-2.3 -2,-0.5 2,-0.4 -0.964 19.3-161.9-116.6 103.7 15.8 12.6 40.0 39 41 A L E -ac 8 71A 0 31,-2.9 33,-2.5 -2,-0.7 2,-0.4 -0.813 7.5-163.7 -99.0 134.3 17.4 11.6 36.7 40 42 A L E + c 0 72A 11 -32,-2.8 -29,-2.3 -2,-0.4 2,-0.3 -0.932 15.3 159.9-120.4 137.2 17.7 13.8 33.7 41 43 A E - 0 0 27 31,-1.5 7,-0.1 -2,-0.4 -32,-0.0 -0.914 50.3 -79.5-141.7 162.2 18.4 13.0 30.0 42 44 A I - 0 0 96 -2,-0.3 32,-0.1 1,-0.1 6,-0.1 -0.266 47.6-108.2 -60.6 154.1 17.8 14.9 26.8 43 45 A P S S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.684 78.6 122.7 -59.7 -19.8 14.2 14.8 25.5 44 46 A N > - 0 0 96 1,-0.1 4,-2.4 3,-0.1 5,-0.2 -0.114 68.4-126.7 -49.8 135.2 15.1 12.5 22.5 45 47 A E H > S+ 0 0 160 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.856 107.4 51.0 -50.8 -47.4 13.1 9.3 22.4 46 48 A K H > S+ 0 0 183 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 112.9 46.2 -59.7 -45.1 16.1 7.0 22.2 47 49 A A H > S+ 0 0 16 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.868 113.7 47.8 -65.9 -41.7 17.7 8.7 25.2 48 50 A Q H X S+ 0 0 48 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.844 111.8 50.4 -68.4 -35.8 14.5 8.6 27.3 49 51 A K H X S+ 0 0 149 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.921 110.2 49.6 -67.0 -44.6 14.0 4.9 26.4 50 52 A A H X S+ 0 0 50 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.883 108.8 53.3 -62.0 -37.9 17.6 4.1 27.5 51 53 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.857 104.9 54.8 -64.9 -35.7 17.0 6.0 30.7 52 54 A Q H X S+ 0 0 103 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.919 107.5 51.2 -62.8 -39.9 13.9 3.8 31.3 53 55 A G H X S+ 0 0 25 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.874 108.3 49.7 -64.1 -42.0 16.1 0.8 30.9 54 56 A V H X S+ 0 0 14 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.898 109.6 52.4 -63.8 -41.3 18.7 2.0 33.4 55 57 A M H X S+ 0 0 16 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.859 105.6 54.5 -63.0 -38.5 15.9 2.6 35.9 56 58 A M H X S+ 0 0 102 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.944 108.8 48.9 -59.6 -47.6 14.6 -0.9 35.4 57 59 A E H < S+ 0 0 86 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.869 109.0 51.9 -58.6 -42.0 18.1 -2.3 36.3 58 60 A I H ><>S+ 0 0 1 -4,-2.0 3,-1.4 1,-0.2 5,-0.6 0.902 110.2 48.8 -62.8 -42.9 18.3 -0.1 39.4 59 61 A D H ><5S+ 0 0 101 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.913 105.1 60.1 -61.1 -41.5 14.9 -1.4 40.6 60 62 A D T 3<5S+ 0 0 135 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.430 94.3 64.6 -67.5 -1.7 16.2 -4.9 39.9 61 63 A C T < 5S- 0 0 61 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.526 95.7-140.8 -95.0 -11.6 19.0 -4.4 42.4 62 64 A A T < 5 - 0 0 82 -3,-1.9 -3,-0.1 -4,-0.3 -2,-0.1 0.898 24.7-170.4 51.7 50.9 16.5 -4.1 45.3 63 65 A F > < - 0 0 38 -5,-0.6 3,-1.0 1,-0.1 -1,-0.2 -0.584 17.5-153.4 -75.0 118.8 18.4 -1.3 47.1 64 66 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -39,-0.1 0.799 92.2 56.2 -63.4 -27.8 17.0 -0.6 50.5 65 67 A L T 3 S+ 0 0 26 -41,-0.4 -30,-2.4 -31,-0.1 2,-1.2 0.626 78.4 102.3 -78.2 -17.2 18.2 3.0 50.6 66 68 A L E < +c 35 0A 32 -3,-1.0 -30,-0.2 -32,-0.2 3,-0.1 -0.590 41.9 171.9 -74.3 98.8 16.4 4.0 47.3 67 69 A A E - 0 0 61 -32,-2.4 2,-0.3 -2,-1.2 -31,-0.2 0.472 64.1 -20.5 -85.3 -5.2 13.3 5.9 48.6 68 70 A G E -c 36 0A 25 -33,-0.7 -31,-2.3 -3,-0.1 2,-0.3 -0.884 52.4-160.1 169.3 159.9 12.3 7.0 45.1 69 71 A M E +c 37 0A 32 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.900 10.0 179.4-163.4 127.9 13.3 7.6 41.6 70 72 A T E -c 38 0A 65 -33,-2.4 -31,-2.9 -2,-0.3 2,-0.4 -0.954 19.5-136.1-133.7 149.8 11.9 9.7 38.7 71 73 A A E -c 39 0A 40 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.863 23.7-172.9-105.4 145.1 12.9 10.4 35.1 72 74 A H E -c 40 0A 26 -33,-2.5 -31,-1.5 -2,-0.4 -2,-0.0 -0.928 30.1-168.5-136.6 157.4 12.8 13.8 33.6 73 75 A A S S+ 0 0 49 -2,-0.3 -33,-0.1 -33,-0.2 -1,-0.1 0.330 80.8 61.2-122.1 3.5 13.3 15.5 30.2 74 76 A D S >> S- 0 0 75 -32,-0.1 4,-2.4 1,-0.1 3,-1.1 -0.994 70.9-142.9-136.3 126.7 13.4 19.1 31.6 75 77 A P H 3> S+ 0 0 21 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.826 99.8 67.2 -58.4 -29.5 16.0 20.5 34.0 76 78 A M H 34 S+ 0 0 81 1,-0.2 4,-0.2 2,-0.2 37,-0.0 0.837 111.1 32.4 -60.9 -35.3 13.2 22.6 35.6 77 79 A T H X4 S+ 0 0 67 -3,-1.1 3,-1.0 2,-0.1 -1,-0.2 0.860 116.0 57.7 -87.8 -37.9 11.5 19.4 36.9 78 80 A A H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.1 0.895 109.2 44.5 -58.3 -41.5 14.8 17.4 37.4 79 81 A F T >< S+ 0 0 1 -4,-2.6 3,-2.4 -5,-0.2 -1,-0.2 0.517 79.8 137.3 -84.7 -1.7 16.3 20.0 39.8 80 82 A K T < S- 0 0 101 -3,-1.0 41,-0.2 1,-0.3 42,-0.1 -0.197 87.9 -19.7 -50.8 115.8 13.1 20.5 41.9 81 83 A D T 3 S+ 0 0 80 39,-2.5 -76,-0.3 1,-0.2 -1,-0.3 0.667 92.3 170.8 55.6 21.7 14.0 20.6 45.6 82 84 A A < - 0 0 0 -3,-2.4 40,-2.3 1,-0.1 -1,-0.2 -0.383 25.7-167.6 -65.9 133.4 17.3 18.8 44.8 83 85 A D S S+ 0 0 54 -78,-2.5 43,-1.7 1,-0.3 2,-0.3 0.678 78.4 18.8 -90.2 -27.8 19.7 18.7 47.8 84 86 A V E -bd 6 126A 1 -79,-1.6 -77,-2.5 41,-0.2 2,-0.4 -0.989 69.1-162.7-143.0 140.6 22.7 17.6 45.7 85 87 A A E -bd 7 127A 0 41,-2.5 43,-2.2 -2,-0.3 2,-0.6 -0.997 6.0-163.8-130.1 134.0 23.2 17.8 41.9 86 88 A L E -bd 8 128A 0 -79,-2.6 -77,-2.1 -2,-0.4 2,-1.3 -0.960 10.1-158.0-117.1 106.8 25.8 15.9 39.8 87 89 A L E + d 0 129A 0 41,-2.9 43,-2.6 -2,-0.6 44,-2.2 -0.722 35.1 145.4 -88.9 89.4 26.1 17.6 36.5 88 90 A V + 0 0 14 -2,-1.3 -1,-0.2 42,-0.2 -78,-0.2 0.830 40.9 89.7 -93.0 -41.1 27.5 14.8 34.4 89 91 A G + 0 0 19 -3,-0.3 2,-0.3 -49,-0.1 42,-0.2 -0.351 49.7 144.8 -64.9 136.5 25.9 15.4 31.0 90 92 A A - 0 0 33 -2,-0.1 16,-0.1 40,-0.1 42,-0.1 -0.937 53.9 -85.5-159.2 170.9 27.8 17.7 28.6 91 93 A R - 0 0 100 -2,-0.3 15,-0.1 41,-0.2 14,-0.1 -0.814 44.2-140.3 -91.3 115.4 28.5 18.0 24.9 92 94 A P - 0 0 86 0, 0.0 2,-1.0 0, 0.0 39,-0.0 -0.319 28.5 -94.4 -71.9 158.2 31.4 15.9 23.7 93 95 A R - 0 0 149 3,-0.0 3,-0.1 1,-0.0 6,-0.0 -0.609 54.2-175.1 -75.6 102.9 34.0 17.1 21.2 94 96 A G > - 0 0 17 -2,-1.0 3,-0.9 1,-0.2 2,-0.2 -0.188 33.7 -61.3 -91.3-176.9 32.7 15.9 17.9 95 97 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.444 119.2 13.7 -66.8 136.0 34.1 16.0 14.3 96 98 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 -2,-0.2 -3,-0.0 0.164 93.6 134.2 84.7 -17.9 34.7 19.4 12.8 97 99 A M < - 0 0 29 -3,-0.9 -1,-0.3 4,-0.1 2,-0.2 -0.479 40.0-158.4 -72.3 128.8 34.4 21.1 16.1 98 100 A E >> - 0 0 109 -2,-0.3 4,-2.0 -3,-0.1 3,-0.6 -0.496 38.2 -96.0 -95.5 170.4 36.9 23.7 17.1 99 101 A R H 3> S+ 0 0 87 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.863 125.9 54.0 -55.3 -41.2 37.6 24.7 20.7 100 102 A K H 3> S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.832 107.3 52.0 -63.3 -33.3 35.2 27.7 20.4 101 103 A D H <> S+ 0 0 69 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.876 109.9 47.6 -68.5 -43.8 32.4 25.3 19.2 102 104 A L H X S+ 0 0 30 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.890 112.5 49.8 -63.6 -43.1 32.9 23.0 22.2 103 105 A L H X S+ 0 0 9 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.898 113.1 45.6 -63.9 -44.2 32.9 25.9 24.6 104 106 A E H X S+ 0 0 72 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.926 110.1 52.6 -66.7 -46.4 29.7 27.4 23.2 105 107 A A H X S+ 0 0 33 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.913 115.0 42.9 -55.5 -44.8 27.8 24.2 23.0 106 108 A N H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 3,-0.2 0.857 109.1 56.7 -71.2 -36.6 28.6 23.5 26.7 107 109 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.908 104.7 53.7 -61.0 -39.5 27.9 27.1 27.8 108 110 A Q H X S+ 0 0 107 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.805 111.8 45.8 -63.8 -32.4 24.4 26.7 26.3 109 111 A I H X S+ 0 0 48 -4,-0.9 4,-2.0 -3,-0.2 -2,-0.2 0.936 116.0 43.4 -75.0 -49.4 23.8 23.6 28.4 110 112 A F H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.707 107.5 56.3 -74.6 -22.7 25.2 25.0 31.6 111 113 A T H X S+ 0 0 11 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.934 111.7 46.7 -71.6 -41.7 23.5 28.4 31.6 112 114 A V H X S+ 0 0 72 -4,-0.8 4,-2.0 -5,-0.3 -2,-0.2 0.913 115.7 43.4 -63.5 -46.8 20.2 26.6 31.2 113 115 A Q H X S+ 0 0 21 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.843 112.6 53.2 -70.5 -34.2 20.9 24.1 34.0 114 116 A G H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.922 110.2 47.7 -64.4 -43.2 22.4 26.8 36.2 115 117 A K H X S+ 0 0 131 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.890 111.1 51.8 -62.7 -41.3 19.2 28.9 35.8 116 118 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.5 0.891 110.0 47.8 -62.5 -43.5 17.1 25.9 36.6 117 119 A I H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.929 110.3 53.3 -61.9 -44.2 19.0 25.2 39.8 118 120 A D H < S+ 0 0 36 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 114.9 41.9 -57.4 -42.8 18.7 28.8 40.7 119 121 A A H < S+ 0 0 66 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.915 131.8 9.9 -74.5 -45.5 14.9 28.7 40.3 120 122 A V H < S+ 0 0 30 -4,-2.6 -39,-2.5 -5,-0.1 -3,-0.2 0.641 95.8 96.9-117.8 -13.8 13.9 25.3 41.8 121 123 A A S < S- 0 0 4 -4,-1.7 -38,-0.1 -5,-0.5 -41,-0.1 -0.074 86.7 -70.7 -75.0 171.6 16.6 23.6 43.8 122 124 A S > - 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