==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-NOV-12 4I1I . COMPND 2 MOLECULE: MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 633 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 8.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 32 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 1 1 2 0 0 0 0 3 1 4 0 2 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 0 PARALLEL BRIDGES PER LADDER . 4 4 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 0 2 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 A G 0 0 126 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.8 17.8 5.7 74.4 2 0 A S + 0 0 125 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.574 360.0 178.5 -74.4 126.3 16.8 9.4 74.3 3 1 A M + 0 0 170 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.524 41.3 111.6-106.6 -7.1 15.6 10.7 77.7 4 2 A S S S- 0 0 103 1,-0.1 2,-0.1 3,-0.0 -2,-0.0 -0.345 76.4-101.7 -73.0 146.3 14.9 14.3 77.0 5 3 A A - 0 0 16 32,-0.1 2,-0.3 1,-0.1 32,-0.3 -0.422 38.2-113.3 -61.8 138.7 11.4 15.7 77.0 6 4 A V E -a 37 0A 46 30,-2.2 32,-2.7 -2,-0.1 2,-0.6 -0.598 29.7-127.1 -75.4 132.3 9.9 16.1 73.5 7 5 A K E -a 38 0A 67 -2,-0.3 76,-2.4 74,-0.3 77,-1.3 -0.718 30.7-179.7 -89.7 119.9 9.4 19.8 72.7 8 6 A V E -ab 39 84A 0 30,-2.8 32,-2.6 -2,-0.6 2,-0.4 -0.985 11.3-155.6-123.6 123.2 5.9 20.6 71.6 9 7 A A E -ab 40 85A 0 75,-2.7 77,-2.7 -2,-0.5 2,-0.4 -0.805 6.1-170.4 -97.1 141.1 4.6 24.1 70.6 10 8 A V E -ab 41 86A 0 30,-2.5 32,-2.5 -2,-0.4 3,-0.4 -0.983 7.4-160.7-125.1 120.3 1.1 25.2 70.7 11 9 A T E S+ab 42 87A 1 75,-2.2 77,-1.3 -2,-0.4 32,-0.2 -0.628 77.9 36.5 -96.2 161.7 0.1 28.5 69.2 12 10 A G S > S+ 0 0 10 30,-1.1 3,-2.1 76,-0.3 6,-0.6 0.804 75.5 156.1 66.0 26.5 -3.1 30.2 70.1 13 11 A A T 3 + 0 0 0 29,-2.1 30,-0.2 -3,-0.4 9,-0.1 0.645 62.8 56.4 -70.4 -12.3 -2.4 28.9 73.6 14 12 A A T 3 S+ 0 0 34 28,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.366 96.3 89.2 -93.6 4.4 -4.5 31.6 75.4 15 13 A G S <> S- 0 0 31 -3,-2.1 4,-2.0 1,-0.0 5,-0.1 -0.237 93.8 -95.5 -97.7-175.9 -7.6 30.6 73.4 16 14 A Q H > S+ 0 0 71 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.896 121.9 47.3 -77.9 -36.6 -10.3 28.2 73.9 17 15 A I H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.940 112.1 54.3 -62.4 -45.5 -8.9 25.3 71.9 18 16 A G H > S+ 0 0 0 -6,-0.6 4,-2.7 1,-0.2 -2,-0.2 0.897 105.1 52.3 -50.6 -44.0 -5.6 25.9 73.6 19 17 A Y H < S+ 0 0 33 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.825 114.6 41.9 -63.1 -39.5 -7.2 25.6 77.0 20 18 A A H < S+ 0 0 24 -4,-1.4 4,-0.4 -3,-0.4 -1,-0.2 0.726 118.2 48.0 -75.8 -26.9 -8.8 22.2 76.1 21 19 A L H >X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.1 3,-0.7 0.877 97.2 63.1 -87.0 -46.3 -5.6 21.0 74.3 22 20 A V H 3X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 5,-0.2 0.881 101.3 50.7 -58.1 -38.4 -2.8 21.7 76.7 23 21 A P H 3> S+ 0 0 15 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.851 108.7 54.6 -68.0 -27.2 -4.0 19.4 79.5 24 22 A L H <>>S+ 0 0 8 -3,-0.7 5,-2.2 -4,-0.4 4,-0.7 0.940 111.1 44.2 -66.4 -44.2 -4.4 16.5 77.0 25 23 A I H ><5S+ 0 0 1 -4,-2.1 3,-1.3 1,-0.2 5,-0.3 0.946 113.7 50.4 -62.9 -46.5 -0.8 16.9 75.8 26 24 A A H 3<5S+ 0 0 0 -4,-2.6 39,-0.4 1,-0.3 -1,-0.2 0.838 106.6 54.9 -66.9 -29.7 0.5 17.2 79.4 27 25 A R H 3<5S- 0 0 63 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.626 123.4-100.7 -79.8 -8.0 -1.3 14.1 80.5 28 26 A G T < - 0 0 11 -4,-1.9 3,-1.6 1,-0.1 -1,-0.3 -0.209 41.3 -81.4 116.7 154.0 2.1 8.5 75.1 33 31 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.537 126.1 38.8 -70.3 -5.0 1.6 7.9 78.8 34 32 A T T 3 S+ 0 0 124 -6,-0.2 -2,-0.1 -3,-0.1 -6,-0.1 0.210 90.4 104.9-124.3 12.5 5.3 7.4 79.6 35 33 A T < - 0 0 40 -3,-1.6 -4,-0.2 -7,-0.1 -3,-0.1 -0.847 65.9-134.4-100.4 115.0 6.8 10.1 77.3 36 34 A P - 0 0 35 0, 0.0 -30,-2.2 0, 0.0 2,-0.3 -0.376 26.7-163.3 -64.8 146.0 8.0 13.4 79.0 37 35 A V E -ac 6 66A 1 28,-2.8 30,-2.4 -32,-0.3 31,-0.8 -0.955 19.2-153.9-134.3 146.5 6.9 16.6 77.2 38 36 A E E -ac 7 68A 15 -32,-2.7 -30,-2.8 -2,-0.3 2,-0.5 -0.995 19.6-148.6-117.4 124.9 7.9 20.2 77.2 39 37 A L E -ac 8 69A 0 29,-2.3 31,-2.5 -2,-0.5 2,-0.6 -0.845 10.0-167.8 -98.6 132.8 5.2 22.7 76.3 40 38 A R E -ac 9 70A 20 -32,-2.6 -30,-2.5 -2,-0.5 2,-0.6 -0.963 14.4-160.6-117.8 110.7 6.0 25.9 74.5 41 39 A L E -ac 10 71A 0 29,-3.3 31,-2.2 -2,-0.6 2,-0.4 -0.883 7.7-171.8-106.0 119.9 3.0 28.1 74.5 42 40 A L E +ac 11 72A 6 -32,-2.5 -29,-2.1 -2,-0.6 -30,-1.1 -0.930 19.3 137.4-113.9 132.1 2.6 31.0 72.0 43 41 A D - 0 0 34 29,-1.8 2,-0.1 -2,-0.4 5,-0.0 -0.774 55.5 -61.4-148.5-168.5 0.0 33.7 71.9 44 42 A I > - 0 0 73 -2,-0.2 3,-1.7 1,-0.1 4,-0.1 -0.432 47.7-108.3 -81.3 161.2 -0.0 37.4 71.3 45 43 A E G > S+ 0 0 130 1,-0.3 3,-1.7 28,-0.2 4,-0.2 0.896 118.4 55.7 -59.8 -39.2 1.8 40.0 73.5 46 44 A P G 3 S+ 0 0 104 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.705 103.7 58.7 -65.7 -10.9 -1.5 41.3 75.0 47 45 A A G <> S+ 0 0 16 -3,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.288 72.1 105.3 -99.1 8.3 -2.3 37.7 76.1 48 46 A L H <> S+ 0 0 65 -3,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.876 80.2 48.4 -60.5 -41.4 0.8 37.2 78.2 49 47 A K H > S+ 0 0 120 -3,-0.3 4,-1.8 -4,-0.2 -1,-0.2 0.944 111.7 50.4 -63.1 -46.0 -1.0 37.5 81.6 50 48 A A H > S+ 0 0 40 -4,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.905 109.4 52.1 -55.2 -44.4 -3.6 35.0 80.3 51 49 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 -1,-0.2 0.891 105.0 54.9 -61.8 -39.3 -0.7 32.7 79.3 52 50 A A H X S+ 0 0 28 -4,-2.1 4,-2.3 2,-0.2 -1,-0.3 0.858 106.3 52.6 -59.8 -40.9 0.7 33.0 82.8 53 51 A G H X S+ 0 0 1 -4,-1.8 4,-2.1 491,-0.3 -2,-0.2 0.899 108.0 49.5 -62.6 -38.7 -2.7 31.8 84.0 54 52 A V H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.922 111.4 50.2 -62.7 -44.8 -2.6 28.8 81.8 55 53 A E H X S+ 0 0 52 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.915 109.0 52.1 -60.1 -42.6 0.9 28.0 83.0 56 54 A A H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.905 110.6 46.8 -61.7 -45.8 -0.2 28.3 86.6 57 55 A E H X S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.904 109.8 53.4 -66.7 -34.0 -3.1 25.9 86.1 58 56 A L H ><>S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.2 5,-0.6 0.943 109.0 50.2 -63.9 -42.6 -0.8 23.4 84.3 59 57 A E H ><5S+ 0 0 57 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.920 105.5 57.7 -56.5 -42.2 1.5 23.6 87.3 60 58 A D H 3<5S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.559 93.9 66.8 -71.8 -10.2 -1.5 22.9 89.6 61 59 A C T <<5S- 0 0 0 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.591 92.7-143.8 -79.0 -14.5 -2.2 19.7 87.8 62 60 A A T < 5 - 0 0 13 -3,-1.9 -3,-0.1 -4,-0.4 -2,-0.1 0.915 25.0-170.8 50.7 46.1 1.0 18.1 89.1 63 61 A F > < - 0 0 10 -5,-0.6 3,-1.1 1,-0.2 433,-0.2 -0.591 18.1-152.1 -72.5 120.7 1.5 16.3 85.7 64 62 A P T 3 S+ 0 0 77 0, 0.0 433,-0.3 0, 0.0 -1,-0.2 0.784 93.8 49.2 -66.1 -26.7 4.4 13.8 86.0 65 63 A L T 3 S+ 0 0 24 -39,-0.4 -28,-2.8 -29,-0.1 2,-1.2 0.571 84.8 96.1 -86.0 -12.4 5.2 14.0 82.3 66 64 A L E < +c 37 0A 27 -3,-1.1 430,-0.2 -30,-0.2 -28,-0.2 -0.665 45.0 171.8 -87.9 95.2 5.2 17.8 82.0 67 65 A D E - 0 0 89 -30,-2.4 2,-0.3 -2,-1.2 -29,-0.2 0.831 62.1 -7.3 -74.2 -32.6 8.9 18.6 82.3 68 66 A K E -c 38 0A 111 -31,-0.8 -29,-2.3 2,-0.0 2,-0.4 -0.978 52.7-154.0-163.2 146.4 8.8 22.3 81.5 69 67 A V E -c 39 0A 26 -2,-0.3 2,-0.4 -31,-0.2 -29,-0.2 -0.999 10.7-171.6-126.3 133.7 6.4 25.0 80.3 70 68 A V E -c 40 0A 26 -31,-2.5 -29,-3.3 -2,-0.4 2,-0.4 -0.992 5.2-162.5-120.6 131.8 7.5 28.2 78.4 71 69 A V E +c 41 0A 37 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.950 24.0 148.1-115.9 141.2 5.1 31.0 77.7 72 70 A T E -c 42 0A 16 -31,-2.2 -29,-1.8 -2,-0.4 -2,-0.0 -0.990 50.7-147.1-161.2 158.8 5.9 33.6 75.1 73 71 A A S S+ 0 0 35 -2,-0.3 -28,-0.2 -31,-0.2 -31,-0.1 0.247 82.1 91.2-109.9 7.0 4.7 36.0 72.4 74 72 A D >> - 0 0 45 1,-0.1 4,-2.4 -30,-0.1 3,-1.2 -0.889 62.7-157.9-106.8 112.9 7.9 35.4 70.4 75 73 A P H 3> S+ 0 0 32 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.810 93.6 63.0 -60.4 -26.8 7.6 32.6 67.8 76 74 A R H 34 S+ 0 0 156 2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.825 109.3 40.6 -64.5 -33.1 11.4 32.3 67.8 77 75 A V H X4 S+ 0 0 53 -3,-1.2 3,-1.0 2,-0.1 -1,-0.2 0.911 114.8 51.5 -77.1 -46.4 11.2 31.3 71.5 78 76 A A H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.1 0.884 115.0 40.7 -57.6 -45.2 8.2 29.1 71.1 79 77 A F T >< S+ 0 0 0 -4,-2.5 3,-2.0 -5,-0.2 2,-0.3 0.446 77.8 134.4 -88.6 1.2 9.6 27.1 68.2 80 78 A D T < S- 0 0 87 -3,-1.0 41,-0.2 1,-0.3 37,-0.1 -0.336 90.2 -18.6 -60.2 110.1 13.1 26.7 69.5 81 79 A G T 3 S+ 0 0 28 39,-2.7 -74,-0.3 -2,-0.3 -1,-0.3 0.585 95.2 162.2 74.4 8.9 14.1 23.0 69.0 82 80 A V < - 0 0 0 -3,-2.0 40,-1.8 1,-0.1 -1,-0.2 -0.391 31.4-170.7 -74.1 144.8 10.5 21.9 68.7 83 81 A A S S+ 0 0 28 -76,-2.4 43,-2.5 1,-0.3 2,-0.4 0.616 77.4 31.8 -92.2 -29.8 9.5 18.5 67.1 84 82 A I E -bd 8 126A 6 -77,-1.3 -75,-2.7 41,-0.2 2,-0.4 -0.997 62.3-172.6-136.2 133.3 5.7 19.1 67.0 85 83 A A E -bd 9 127A 0 41,-2.4 43,-2.5 -2,-0.4 2,-0.6 -0.995 5.1-167.5-131.6 124.7 3.8 22.4 66.4 86 84 A I E -bd 10 128A 0 -77,-2.7 -75,-2.2 -2,-0.4 2,-1.1 -0.963 15.9-153.0-110.2 111.0 -0.0 22.6 66.8 87 85 A M E +bd 11 129A 0 41,-2.9 44,-2.6 -2,-0.6 43,-2.5 -0.730 38.8 144.4-100.5 93.1 -1.1 25.9 65.3 88 86 A C + 0 0 20 -77,-1.3 2,-0.6 -2,-1.1 -76,-0.3 0.463 38.7 112.8 -99.7 -6.3 -4.3 27.1 66.8 89 87 A G + 0 0 12 -3,-0.1 2,-0.3 42,-0.1 -77,-0.1 -0.598 35.6 118.8 -80.1 116.0 -3.4 30.8 66.8 90 88 A A - 0 0 31 -2,-0.6 42,-0.1 -78,-0.1 16,-0.1 -0.903 62.9-105.1-169.5 139.4 -5.5 32.8 64.4 91 89 A F - 0 0 99 -2,-0.3 41,-0.1 11,-0.1 15,-0.1 -0.493 44.4-101.3 -75.1 152.0 -7.9 35.7 65.0 92 90 A P - 0 0 102 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.358 36.6 -97.2 -76.9 147.0 -11.6 35.0 64.8 93 91 A R - 0 0 148 -2,-0.1 2,-0.3 1,-0.0 3,-0.0 -0.486 43.1-143.8 -57.2 130.7 -13.8 35.8 61.9 94 92 A K > - 0 0 48 -2,-0.1 3,-2.0 1,-0.1 8,-0.1 -0.745 30.0 -85.5 -92.8 151.2 -15.5 39.2 62.6 95 93 A A T 3 S+ 0 0 98 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.262 116.3 28.4 -49.1 137.0 -19.1 39.9 61.5 96 94 A G T 3 S+ 0 0 75 1,-0.3 2,-0.3 -3,-0.0 -1,-0.2 0.296 88.7 133.8 89.0 -8.1 -19.2 41.2 57.9 97 95 A M < - 0 0 39 -3,-2.0 -1,-0.3 4,-0.1 2,-0.2 -0.593 45.1-148.4 -77.5 136.3 -16.1 39.3 56.8 98 96 A E >> - 0 0 141 -2,-0.3 4,-1.5 -3,-0.1 3,-0.6 -0.477 39.6 -99.4 -79.8 164.0 -16.0 37.3 53.5 99 97 A R H 3> S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.900 126.0 59.3 -53.1 -40.2 -13.8 34.3 53.5 100 98 A K H 3> S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.864 101.8 53.3 -57.7 -36.4 -11.1 36.4 51.7 101 99 A D H <> S+ 0 0 57 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.885 107.9 49.0 -69.0 -38.1 -11.1 38.9 54.6 102 100 A L H X S+ 0 0 17 -4,-1.5 4,-2.2 2,-0.2 5,-0.3 0.942 112.0 49.9 -65.5 -42.3 -10.4 36.1 57.1 103 101 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.939 111.0 48.4 -59.7 -48.6 -7.6 34.8 54.9 104 102 A E H X S+ 0 0 119 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.878 111.8 49.8 -66.2 -34.5 -6.0 38.2 54.5 105 103 A M H < S+ 0 0 62 -4,-1.9 4,-0.3 1,-0.2 3,-0.3 0.910 119.2 35.4 -66.8 -43.2 -6.2 38.9 58.3 106 104 A N H >X S+ 0 0 1 -4,-2.2 4,-1.3 1,-0.2 3,-0.6 0.645 95.9 84.5 -93.2 -14.3 -4.5 35.6 59.4 107 105 A A H 3X S+ 0 0 9 -4,-2.2 4,-2.1 -5,-0.3 3,-0.3 0.887 86.7 55.1 -53.2 -45.1 -2.1 35.3 56.5 108 106 A R H 3X S+ 0 0 50 -4,-0.6 4,-2.2 -3,-0.3 5,-0.3 0.864 101.4 59.6 -60.3 -33.8 0.5 37.5 58.2 109 107 A I H <> S+ 0 0 23 -3,-0.6 4,-2.2 -4,-0.3 -1,-0.2 0.924 109.2 42.5 -58.3 -46.4 0.5 35.2 61.2 110 108 A F H X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.3 -1,-0.2 0.806 109.8 55.2 -82.4 -25.6 1.5 32.2 59.2 111 109 A K H X S+ 0 0 98 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.961 112.7 44.0 -65.2 -46.8 4.1 34.0 57.1 112 110 A E H X S+ 0 0 123 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.918 116.0 47.3 -64.1 -42.5 5.9 35.1 60.3 113 111 A Q H X S+ 0 0 19 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.872 108.1 53.8 -72.4 -34.0 5.5 31.7 61.9 114 112 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.927 109.3 49.8 -64.7 -42.7 6.8 29.7 58.9 115 113 A E H X S+ 0 0 114 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.919 112.6 47.7 -59.0 -41.7 9.9 31.9 58.8 116 114 A A H X S+ 0 0 7 -4,-1.9 4,-2.3 2,-0.2 5,-0.4 0.914 109.6 51.2 -70.6 -44.8 10.4 31.3 62.5 117 115 A I H X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.947 111.3 48.8 -52.8 -48.9 9.9 27.5 62.4 118 116 A A H < S+ 0 0 35 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.9 48.9 -57.8 -39.2 12.4 27.3 59.6 119 117 A A H < S+ 0 0 77 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.848 131.9 5.6 -71.2 -38.6 14.9 29.5 61.6 120 118 A V H < S+ 0 0 43 -4,-2.3 -39,-2.7 -5,-0.1 -3,-0.2 0.560 95.5 101.7-130.4 -11.0 14.7 27.6 64.9 121 119 A A S < S- 0 0 18 -4,-2.5 -38,-0.1 -5,-0.4 -41,-0.1 -0.286 81.2 -83.2 -77.5 166.7 12.7 24.4 65.0 122 120 A A > - 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T 0 593D 0 15,-2.4 15,-2.6 -2,-0.7 -104,-0.1 -0.862 45.2 -78.9-134.5 160.9 -14.2 11.7 104.0 579 267 B Y E - T 0 592D 24 -109,-0.5 13,-0.2 -106,-0.4 10,-0.1 -0.403 40.7-144.1 -65.7 133.0 -16.7 11.0 106.7 580 268 B S > + 0 0 0 11,-2.6 3,-1.4 -2,-0.1 -1,-0.1 0.557 55.4 122.1 -86.1 -9.2 -15.0 11.4 110.0 581 269 B D T 3 S+ 0 0 67 1,-0.2 8,-0.0 10,-0.2 -2,-0.0 -0.294 85.1 8.5 -54.3 134.3 -16.6 8.7 112.2 582 270 B E T 3 S+ 0 0 182 1,-0.2 -1,-0.2 5,-0.1 -2,-0.0 0.786 86.3 160.3 68.4 27.7 -13.9 6.3 113.6 583 271 B N X - 0 0 24 -3,-1.4 3,-0.8 4,-0.3 -1,-0.2 -0.561 45.6-130.0 -76.6 150.7 -10.9 8.4 112.5 584 272 B P T 3 S+ 0 0 76 0, 0.0 25,-0.1 0, 0.0 -1,-0.1 0.431 97.5 68.6 -81.4 6.0 -7.6 7.7 114.3 585 273 B Y T 3 S- 0 0 34 2,-0.1 -2,-0.0 23,-0.1 23,-0.0 0.201 104.7-115.7-108.6 4.4 -7.0 11.4 115.0 586 274 B G < + 0 0 73 -3,-0.8 3,-0.1 1,-0.2 -4,-0.0 0.656 60.4 156.4 61.9 19.0 -9.7 12.1 117.5 587 275 B V - 0 0 7 1,-0.1 -4,-0.3 -7,-0.1 -1,-0.2 -0.503 54.3 -87.7 -65.9 143.2 -11.3 14.6 115.1 588 276 B P - 0 0 43 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.157 43.9-115.1 -56.0 147.0 -15.1 14.9 115.9 589 277 B S S S+ 0 0 70 1,-0.2 3,-0.1 -3,-0.1 -10,-0.0 -0.152 88.2 47.2 -68.4 167.7 -17.6 12.5 114.3 590 278 B G S S+ 0 0 10 1,-0.2 2,-0.3 -132,-0.0 -1,-0.2 0.744 87.5 105.9 75.2 25.3 -20.3 13.5 111.8 591 279 B L S S- 0 0 1 -3,-0.3 -11,-2.6 -13,-0.1 2,-0.6 -0.908 70.3-124.3-129.8 157.0 -18.2 15.7 109.5 592 280 B I E + T 0 579D 2 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.955 47.3 172.5 -99.9 118.3 -16.7 15.4 106.0 593 281 B F E - T 0 578D 0 -15,-2.6 -15,-2.4 -2,-0.6 2,-0.4 -0.996 35.2-115.0-136.8 131.0 -13.0 16.2 106.8 594 282 B S E +ST 506 577D 0 -88,-2.3 -88,-2.3 -2,-0.4 -17,-0.3 -0.577 44.1 163.7 -74.7 125.8 -9.9 16.0 104.7 595 283 B F E - T 0 576D 0 -19,-2.2 -19,-1.9 -2,-0.4 2,-0.4 -0.903 46.8 -92.3-132.6 159.6 -7.4 13.4 105.8 596 284 B P E - T 0 575D 0 0, 0.0 11,-2.9 0, 0.0 2,-0.4 -0.676 56.8-176.7 -73.0 128.8 -4.4 11.6 104.3 597 285 B C E -UT 606 574D 0 -23,-2.2 -23,-2.7 -2,-0.4 2,-0.3 -0.967 29.5-154.8-132.1 142.0 -5.8 8.4 102.7 598 286 B T E -U 605 0D 51 7,-2.2 7,-2.3 -2,-0.4 2,-0.4 -0.820 24.5-152.0 -98.6 157.4 -4.7 5.3 100.9 599 287 B C E +U 604 0D 6 -2,-0.3 -31,-1.8 5,-0.2 2,-0.3 -0.973 17.8 176.7-131.8 146.4 -7.2 3.6 98.6 600 288 B H E > S-U 603 0D 149 3,-2.2 3,-1.5 -2,-0.4 -33,-0.2 -0.945 70.2 -20.0-146.9 122.4 -7.7 0.1 97.4 601 289 B A T 3 S- 0 0 65 -2,-0.3 -36,-0.2 1,-0.3 -35,-0.2 0.856 129.3 -40.4 52.3 49.3 -10.5 -1.2 95.2 602 290 B G T 3 S+ 0 0 2 -38,-1.6 2,-0.4 -37,-0.2 -1,-0.3 0.569 117.7 105.0 79.3 14.6 -12.9 1.7 95.7 603 291 B E E < -U 600 0D 55 -3,-1.5 -3,-2.2 -39,-0.3 2,-0.2 -0.980 55.2-147.9-132.2 130.3 -12.3 2.1 99.4 604 292 B W E -U 599 0D 15 -2,-0.4 2,-0.4 -133,-0.3 -5,-0.2 -0.558 7.1-166.3 -86.7 156.8 -10.3 4.7 101.4 605 293 B T E -U 598 0D 84 -7,-2.3 -7,-2.2 -2,-0.2 2,-0.3 -0.979 24.2-124.4-137.4 127.2 -8.4 4.2 104.6 606 294 B V E -U 597 0D 23 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.3 -0.561 25.7-128.1 -69.8 129.4 -7.2 7.1 106.7 607 295 B V - 0 0 24 -11,-2.9 3,-0.4 -2,-0.3 2,-0.1 -0.724 28.1-147.0 -79.3 125.1 -3.4 6.9 107.3 608 296 B S + 0 0 69 -2,-0.5 -23,-0.1 1,-0.2 -1,-0.0 -0.331 65.9 38.8 -88.5 165.9 -2.6 7.2 111.0 609 297 B G S S+ 0 0 65 -25,-0.1 -1,-0.2 1,-0.1 4,-0.0 0.568 71.3 119.3 82.4 11.3 0.3 8.7 112.8 610 298 B K + 0 0 57 -3,-0.4 2,-0.4 -14,-0.1 -1,-0.1 0.333 57.0 75.9-101.1 8.6 0.8 11.8 110.7 611 299 B L S S- 0 0 23 -94,-0.0 2,-1.9 -93,-0.0 6,-0.1 -0.951 87.3-115.8-115.6 145.1 0.2 14.4 113.3 612 300 B N > - 0 0 72 -2,-0.4 4,-2.1 2,-0.1 3,-0.5 -0.490 59.8 -84.7 -80.6 75.4 2.8 15.3 116.0 613 301 B G H > S- 0 0 57 -2,-1.9 4,-2.3 2,-0.2 5,-0.1 -0.144 88.4 -28.6 59.7-155.2 1.0 14.2 119.2 614 302 B D H > S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.813 141.9 55.8 -65.0 -34.9 -1.5 16.6 120.9 615 303 B L H > S+ 0 0 151 -3,-0.5 4,-0.7 2,-0.2 -1,-0.2 0.880 108.8 48.6 -61.7 -42.5 0.5 19.6 119.6 616 304 B G H >< S+ 0 0 3 -4,-2.1 3,-1.2 1,-0.2 4,-0.3 0.934 109.2 52.2 -59.5 -48.2 -0.1 18.2 116.1 617 305 B K H >< S+ 0 0 43 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.826 100.2 62.4 -60.8 -32.2 -3.8 17.6 116.8 618 306 B Q H >< S+ 0 0 66 -4,-1.8 3,-1.4 1,-0.3 4,-0.4 0.749 87.2 73.4 -66.1 -25.3 -4.1 21.3 117.9 619 307 B R T << S+ 0 0 85 -3,-1.2 -1,-0.3 -4,-0.7 4,-0.3 0.715 98.1 50.0 -53.8 -24.8 -3.1 22.3 114.4 620 308 B L T <> S+ 0 0 2 -3,-1.8 4,-2.3 -4,-0.3 -1,-0.2 0.463 80.5 95.2 -99.1 -2.6 -6.7 21.1 113.4 621 309 B A H <> S+ 0 0 58 -3,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.882 84.0 47.9 -60.5 -45.5 -8.8 23.0 115.9 622 310 B S H > S+ 0 0 83 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.912 113.6 46.2 -63.2 -44.1 -9.7 26.0 113.7 623 311 B T H > S+ 0 0 0 -4,-0.3 4,-2.3 -112,-0.2 -1,-0.2 0.897 111.5 53.5 -70.5 -36.6 -10.7 23.9 110.7 624 312 B I H X S+ 0 0 25 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.944 109.6 48.2 -54.2 -51.5 -12.7 21.6 112.9 625 313 B A H X S+ 0 0 53 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.903 110.1 51.6 -60.9 -41.2 -14.6 24.6 114.4 626 314 B E H X S+ 0 0 39 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.921 110.0 49.1 -61.8 -43.3 -15.3 26.0 110.9 627 315 B L H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.894 111.5 48.9 -65.3 -35.7 -16.7 22.7 109.7 628 316 B Q H X S+ 0 0 69 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.918 111.0 51.0 -69.6 -39.4 -18.9 22.5 112.8 629 317 B E H X S+ 0 0 34 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.941 111.5 47.4 -60.2 -46.1 -20.1 26.0 112.3 630 318 B E H X S+ 0 0 12 -4,-2.7 4,-2.0 1,-0.2 6,-0.2 0.885 107.6 55.7 -64.5 -38.8 -20.9 25.3 108.6 631 319 B R H <>S+ 0 0 70 -4,-2.2 5,-1.7 2,-0.2 4,-0.3 0.934 111.7 44.1 -58.7 -47.9 -22.8 22.1 109.5 632 320 B A H ><5S+ 0 0 68 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.920 112.5 51.0 -63.3 -42.7 -25.0 24.1 111.9 633 321 B Q H 3<5S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.803 102.7 60.7 -68.2 -26.7 -25.6 27.0 109.5 634 322 B A T 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.585 120.3-110.5 -72.1 -13.4 -26.6 24.5 106.7 635 323 B G T < 5 0 0 65 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.515 360.0 360.0 94.5 7.7 -29.4 23.5 109.0 636 324 B L < 0 0 98 -5,-1.7 -1,-0.3 -6,-0.2 -177,-0.0 -0.362 360.0 360.0 -83.4 360.0 -28.0 20.1 109.7