==== 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 24-MAR-05 1X0L . COMPND 2 MOLECULE: HOMOISOCITRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.MIYAZAKI,K.ASADA,S.FUSHINOBU,T.KUZUYAMA,M.NISHIYAMA . 659 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 498 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 8.5 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 . 47 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 0 0 2 2 2 2 0 0 5 4 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 3 2 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 . 0 0 2 2 2 0 2 0 1 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 1 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 2 A A 0 0 93 0, 0.0 2,-0.4 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 165.5 33.4 20.8 29.9 2 3 A Y E -a 31 0A 51 28,-2.9 30,-3.2 59,-0.0 2,-0.6 -0.738 360.0-140.9 -86.8 131.4 30.2 19.1 28.9 3 4 A R E -a 32 0A 67 -2,-0.4 59,-2.1 28,-0.2 60,-1.3 -0.845 21.0-170.7 -94.5 120.1 27.8 21.3 27.1 4 5 A I E -ab 33 63A 0 28,-3.0 30,-2.7 -2,-0.6 2,-0.5 -0.954 13.6-147.4-116.4 119.1 24.2 20.5 28.2 5 6 A C E -ab 34 64A 0 58,-2.6 60,-2.8 -2,-0.5 2,-0.5 -0.743 15.0-158.5 -86.4 124.4 21.2 22.0 26.4 6 7 A L E +ab 35 65A 0 28,-2.6 30,-2.4 -2,-0.5 2,-0.5 -0.916 13.5 178.4-107.9 123.7 18.3 22.6 28.9 7 8 A I E -ab 36 66A 0 58,-2.6 60,-2.6 -2,-0.5 30,-0.1 -0.933 9.5-171.3-125.6 105.4 14.8 22.9 27.5 8 9 A E E - 0 0 50 28,-0.5 60,-1.3 -2,-0.5 2,-0.3 0.863 21.3-174.0 -64.5 -37.0 12.1 23.3 30.2 9 10 A G E - b 0 68A 7 27,-0.3 60,-0.2 58,-0.2 2,-0.2 -0.587 39.7 -23.5 79.4-138.7 9.2 22.9 27.8 10 11 A D S > S- 0 0 0 58,-3.1 3,-2.6 -2,-0.3 58,-0.2 -0.632 100.0 -19.2-110.6 167.5 5.7 23.5 29.2 11 12 A G T > S+ 0 0 4 1,-0.3 3,-1.9 -2,-0.2 251,-0.2 -0.079 131.3 11.4 43.8-119.6 4.0 23.5 32.6 12 13 A I T >> S+ 0 0 10 249,-2.4 4,-2.8 1,-0.3 3,-2.0 0.609 111.4 83.1 -66.3 -9.8 5.8 21.5 35.2 13 14 A G H <> S+ 0 0 0 -3,-2.6 4,-1.8 1,-0.3 -1,-0.3 0.852 83.6 62.1 -59.9 -30.4 8.8 21.4 32.9 14 15 A H H <4 S+ 0 0 76 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.624 113.1 35.1 -69.7 -12.2 9.6 24.8 34.3 15 16 A E H <> S+ 0 0 34 -3,-2.0 4,-1.1 -4,-0.2 -2,-0.2 0.766 117.9 45.7-108.8 -41.0 9.9 23.2 37.7 16 17 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -3,-0.2 0.796 108.1 55.1 -79.4 -26.2 11.5 19.8 37.1 17 18 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.3 5,-0.2 0.944 108.1 47.7 -72.2 -45.5 14.2 20.9 34.7 18 19 A P H > S+ 0 0 44 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.887 112.7 52.2 -61.1 -33.0 15.7 23.5 37.1 19 20 A A H X S+ 0 0 4 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.931 109.1 47.5 -66.4 -45.1 15.5 20.8 39.8 20 21 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.873 109.3 55.5 -63.7 -36.4 17.4 18.3 37.6 21 22 A R H X S+ 0 0 78 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.924 105.5 51.6 -61.1 -44.7 19.9 21.1 36.9 22 23 A R H X S+ 0 0 71 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.915 109.9 48.9 -58.2 -45.0 20.5 21.5 40.6 23 24 A V H < S+ 0 0 0 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.920 111.2 49.7 -63.2 -41.8 21.2 17.8 41.0 24 25 A L H ><>S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 5,-0.6 0.934 110.0 50.9 -61.5 -44.6 23.6 17.8 38.1 25 26 A E H ><5S+ 0 0 91 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.839 100.5 65.1 -61.8 -31.1 25.4 20.8 39.6 26 27 A A T 3<5S+ 0 0 19 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.653 90.2 65.0 -67.1 -15.2 25.6 18.9 42.9 27 28 A T T < 5S- 0 0 21 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.749 101.4-135.0 -77.2 -23.7 27.9 16.3 41.2 28 29 A G T < 5 + 0 0 64 -3,-1.4 -3,-0.1 -4,-0.5 -2,-0.1 0.506 50.7 152.4 82.3 3.0 30.5 19.0 40.8 29 30 A L < - 0 0 37 -5,-0.6 2,-1.6 1,-0.1 -1,-0.2 -0.284 60.5 -98.3 -65.9 152.6 31.1 17.9 37.2 30 31 A P + 0 0 74 0, 0.0 -28,-2.9 0, 0.0 2,-0.4 -0.565 63.0 161.7 -74.8 89.7 32.3 20.5 34.6 31 32 A L E -a 2 0A 31 -2,-1.6 2,-0.6 -30,-0.2 -28,-0.2 -0.935 29.2-163.4-118.6 134.8 29.0 21.3 33.0 32 33 A E E -a 3 0A 98 -30,-3.2 -28,-3.0 -2,-0.4 2,-0.4 -0.971 17.8-149.1-115.4 116.9 28.0 24.3 30.9 33 34 A F E -a 4 0A 33 -2,-0.6 2,-0.5 -30,-0.2 -28,-0.2 -0.743 11.5-169.8 -93.8 135.4 24.3 24.7 30.6 34 35 A V E -a 5 0A 19 -30,-2.7 -28,-2.6 -2,-0.4 2,-0.2 -0.975 15.7-145.0-122.5 113.2 22.7 26.3 27.5 35 36 A E E +a 6 0A 76 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.558 23.4 170.4 -82.3 143.0 19.0 27.1 27.7 36 37 A A E -a 7 0A 11 -30,-2.4 -28,-0.5 -2,-0.2 2,-0.3 -0.941 25.7-120.5-144.0 163.3 16.6 26.8 24.8 37 38 A E + 0 0 97 -2,-0.3 2,-0.3 -30,-0.1 17,-0.1 -0.861 35.0 149.4-113.2 144.5 12.9 26.9 24.2 38 39 A A + 0 0 1 -2,-0.3 2,-0.2 12,-0.1 12,-0.2 -0.963 30.0 51.2-165.9 149.9 10.4 24.4 22.8 39 40 A G S > S- 0 0 1 10,-2.3 4,-2.2 -2,-0.3 30,-0.1 -0.731 91.1 -40.4 123.2-170.4 6.8 23.3 23.2 40 41 A W H > S+ 0 0 50 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.929 131.0 49.0 -64.7 -49.7 3.3 24.6 23.2 41 42 A E H > S+ 0 0 55 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.884 112.7 49.6 -59.9 -37.8 4.0 27.9 25.1 42 43 A T H >> S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.909 109.6 52.1 -67.7 -40.0 6.9 28.5 22.7 43 44 A F H 3X S+ 0 0 26 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.927 102.9 57.6 -61.0 -45.9 4.5 27.8 19.7 44 45 A E H 3< S+ 0 0 119 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.764 117.2 35.3 -56.5 -26.4 2.0 30.3 21.0 45 46 A R H << S+ 0 0 204 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.733 130.9 25.8-100.4 -26.9 4.7 33.0 20.9 46 47 A R H < S- 0 0 143 -4,-2.5 -3,-0.2 2,-0.3 -2,-0.2 0.512 94.9-116.2-117.7 -6.8 6.7 32.0 17.8 47 48 A G S < S+ 0 0 53 -4,-2.9 2,-0.3 -5,-0.3 -4,-0.2 0.526 92.6 71.2 83.5 1.8 4.5 30.0 15.4 48 49 A T S S- 0 0 38 -6,-0.4 -2,-0.3 -5,-0.1 -3,-0.2 -0.988 71.7-141.5-149.7 144.4 6.6 26.9 15.8 49 50 A S S S+ 0 0 0 29,-0.3 -10,-2.3 -2,-0.3 -7,-0.1 0.674 100.5 39.2 -79.1 -17.9 7.1 24.4 18.7 50 51 A V S S- 0 0 5 -12,-0.2 -1,-0.3 -8,-0.1 -12,-0.1 -0.732 80.5-152.8-137.2 88.6 10.8 24.2 17.9 51 52 A P >> - 0 0 13 0, 0.0 4,-1.4 0, 0.0 3,-0.8 -0.168 27.7-116.4 -55.3 150.6 12.6 27.4 16.8 52 53 A E H 3> S+ 0 0 98 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.848 115.9 60.8 -58.5 -35.0 15.6 27.0 14.5 53 54 A E H 3> S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.844 100.6 54.5 -61.8 -34.0 17.8 28.5 17.3 54 55 A T H <> S+ 0 0 4 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.912 107.5 48.7 -67.3 -41.8 16.8 25.6 19.6 55 56 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.919 111.8 51.2 -62.8 -41.4 17.9 23.0 17.0 56 57 A E H X S+ 0 0 111 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.908 110.2 47.8 -62.0 -42.8 21.1 25.0 16.7 57 58 A K H < S+ 0 0 60 -4,-2.4 4,-0.4 2,-0.2 3,-0.2 0.904 109.9 52.3 -66.7 -40.7 21.7 25.0 20.4 58 59 A I H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.950 109.8 49.1 -59.5 -48.4 21.0 21.3 20.7 59 60 A L H 3< S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.762 106.4 57.6 -63.0 -25.2 23.5 20.5 17.9 60 61 A S T 3< S+ 0 0 53 -4,-1.2 -1,-0.3 -3,-0.2 2,-0.2 0.507 102.4 69.1 -83.6 -4.9 26.1 22.7 19.7 61 62 A C S < S- 0 0 10 -3,-1.7 -57,-0.2 -4,-0.4 3,-0.1 -0.720 80.9-126.2-113.3 164.2 25.9 20.6 22.9 62 63 A H S S- 0 0 90 -59,-2.1 191,-0.3 1,-0.3 2,-0.3 0.849 91.6 -7.7 -74.1 -35.1 26.9 17.1 23.9 63 64 A A E -b 4 0A 0 -60,-1.3 -58,-2.6 189,-0.2 2,-0.4 -0.987 63.1-134.1-158.1 161.5 23.4 16.2 25.1 64 65 A T E -bc 5 254A 0 189,-2.5 191,-2.7 -2,-0.3 2,-0.5 -0.950 4.8-157.6-126.0 142.0 20.0 17.8 25.8 65 66 A L E -bc 6 255A 0 -60,-2.8 -58,-2.6 -2,-0.4 2,-0.4 -0.982 16.5-166.5-119.8 120.6 17.6 17.4 28.7 66 67 A F E -b 7 0A 5 189,-3.2 -58,-0.2 -2,-0.5 3,-0.1 -0.878 8.7-158.8-112.1 139.6 13.9 18.2 28.0 67 68 A G E - 0 0 1 -60,-2.6 2,-0.3 -2,-0.4 -58,-0.2 0.946 51.1 -44.9 -79.3 -89.5 11.1 18.8 30.5 68 69 A A E -b 9 0A 3 -60,-1.3 -58,-3.1 -58,-0.2 2,-0.4 -0.980 39.7-142.8-148.7 158.3 7.6 18.4 29.3 69 70 A A - 0 0 30 -2,-0.3 192,-0.6 -60,-0.2 2,-0.4 -0.990 17.0-133.0-129.4 130.8 5.4 19.3 26.3 70 71 A T - 0 0 22 -2,-0.4 -30,-0.1 190,-0.1 -59,-0.0 -0.659 15.7-160.8 -81.8 132.8 1.7 20.2 26.4 71 72 A S - 0 0 104 -2,-0.4 4,-0.0 10,-0.1 -2,-0.0 -0.907 14.5-141.0-117.5 101.5 -0.5 18.5 23.9 72 73 A P - 0 0 43 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.201 16.4-121.1 -59.3 150.0 -3.8 20.3 23.3 73 74 A T S S+ 0 0 129 2,-0.1 2,-0.1 0, 0.0 3,-0.0 0.976 95.7 47.0 -55.3 -62.9 -7.0 18.2 22.9 74 75 A R S S- 0 0 189 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.451 100.6 -96.9 -81.9 154.9 -7.9 19.6 19.4 75 76 A K - 0 0 188 -2,-0.1 -1,-0.1 -4,-0.0 -2,-0.1 -0.568 34.6-152.2 -73.8 128.5 -5.4 19.8 16.6 76 77 A V > - 0 0 42 -2,-0.3 3,-2.2 3,-0.2 -1,-0.0 -0.911 23.7-113.1-105.7 119.5 -3.9 23.3 16.2 77 78 A P T 3 S+ 0 0 120 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.213 100.2 12.6 -51.8 129.7 -2.7 24.3 12.7 78 79 A G T 3 S+ 0 0 55 1,-0.2 2,-0.5 -30,-0.0 -29,-0.3 0.131 99.7 115.5 90.2 -20.4 1.0 24.7 12.6 79 80 A F < + 0 0 29 -3,-2.2 2,-0.3 -31,-0.1 -3,-0.2 -0.745 36.7 168.9 -90.7 122.7 1.6 23.1 15.9 80 81 A F - 0 0 82 -2,-0.5 -41,-0.1 -41,-0.1 -31,-0.1 -0.924 44.1 -85.2-128.4 154.4 3.6 19.8 16.0 81 82 A G > - 0 0 36 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.356 31.2-145.0 -60.9 132.7 5.1 17.8 18.8 82 83 A A H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.922 97.6 46.0 -65.6 -47.9 8.6 19.0 19.8 83 84 A I H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 112.7 51.3 -63.8 -41.0 10.0 15.6 20.6 84 85 A R H > S+ 0 0 141 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.923 111.5 48.4 -61.1 -42.7 8.6 14.1 17.5 85 86 A Y H X S+ 0 0 63 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.914 111.9 48.1 -63.1 -44.9 10.1 16.9 15.4 86 87 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 6,-0.3 0.860 106.7 56.4 -66.1 -36.5 13.5 16.5 17.1 87 88 A R H <>S+ 0 0 63 -4,-2.5 5,-1.7 -5,-0.2 4,-0.5 0.926 116.4 37.9 -59.3 -42.8 13.6 12.7 16.6 88 89 A R H ><5S+ 0 0 131 -4,-1.6 3,-0.7 3,-0.2 -2,-0.2 0.967 117.1 47.6 -71.8 -57.4 13.1 13.3 12.9 89 90 A R H 3<5S+ 0 0 107 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.876 126.4 28.8 -53.9 -43.6 15.2 16.4 12.4 90 91 A L T 3<5S- 0 0 21 -4,-2.3 161,-0.3 -5,-0.2 -1,-0.2 0.401 103.7-124.7-101.9 3.3 18.2 14.9 14.3 91 92 A D T < 5 + 0 0 36 -3,-0.7 2,-1.7 -4,-0.5 159,-0.4 0.962 36.9 177.7 51.8 58.5 17.5 11.3 13.5 92 93 A L < + 0 0 2 -5,-1.7 157,-0.3 -6,-0.3 -1,-0.2 -0.629 9.9 168.6 -90.5 75.4 17.5 10.3 17.2 93 94 A Y + 0 0 17 -2,-1.7 26,-2.0 -3,-0.2 2,-0.8 0.684 45.3 80.3 -67.4 -24.8 16.6 6.7 16.2 94 95 A A E -DE 118 248A 3 154,-2.7 154,-2.9 24,-0.2 2,-0.7 -0.777 59.3-166.5 -95.1 108.8 17.2 4.9 19.5 95 96 A N E -DE 117 247A 5 22,-2.7 22,-1.9 -2,-0.8 2,-0.6 -0.828 11.8-167.8 -90.1 117.4 14.2 5.2 21.8 96 97 A V E +DE 116 246A 8 150,-2.9 150,-2.2 -2,-0.7 20,-0.2 -0.940 12.2 173.2-117.2 117.1 15.4 4.1 25.2 97 98 A R E -D 115 0A 35 18,-2.8 18,-2.3 -2,-0.6 148,-0.1 -0.871 12.8-160.7-127.1 100.2 12.9 3.4 28.0 98 99 A P E -D 114 0A 34 0, 0.0 2,-0.4 0, 0.0 16,-0.3 -0.418 2.1-161.7 -76.7 155.6 14.0 1.9 31.3 99 100 A A E +D 113 0A 9 14,-2.7 14,-2.5 -2,-0.1 2,-0.4 -0.960 23.7 165.2-134.8 113.2 11.5 0.3 33.7 100 101 A K E -D 112 0A 66 -2,-0.4 12,-0.2 12,-0.2 14,-0.0 -0.994 39.4-108.8-141.6 139.8 12.9 -0.1 37.2 101 102 A S - 0 0 26 10,-2.9 136,-0.1 -2,-0.4 137,-0.1 -0.303 35.7-168.3 -58.9 142.2 11.6 -0.8 40.7 102 103 A R - 0 0 26 135,-0.2 2,-2.5 2,-0.2 5,-0.2 -0.942 35.5-105.0-131.2 153.4 11.6 2.2 43.0 103 104 A P S S+ 0 0 41 0, 0.0 5,-0.0 0, 0.0 -2,-0.0 -0.381 83.5 109.4 -78.2 65.1 11.1 2.2 46.8 104 105 A V S > S- 0 0 17 -2,-2.5 3,-1.8 133,-0.1 -2,-0.2 -0.914 79.4 -77.3-137.2 162.8 7.6 3.7 46.5 105 106 A P T 3 S+ 0 0 82 0, 0.0 3,-0.1 0, 0.0 209,-0.0 -0.329 115.1 19.1 -59.6 138.1 4.0 2.6 46.9 106 107 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 -3,-0.0 132,-0.4 0.330 90.8 124.3 86.3 -9.6 2.8 0.4 44.1 107 108 A S < - 0 0 19 -3,-1.8 130,-0.3 130,-0.2 -1,-0.2 -0.771 55.0-138.8 -92.5 125.8 6.2 -0.6 42.7 108 109 A R - 0 0 80 128,-2.5 3,-0.5 -2,-0.5 -6,-0.1 -0.568 23.3-123.1 -77.5 139.6 6.9 -4.3 42.4 109 110 A P S S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.302 85.5 43.6 -77.6 168.1 10.4 -5.3 43.5 110 111 A G S S+ 0 0 47 1,-0.2 2,-0.5 103,-0.1 -2,-0.0 0.653 75.3 128.7 74.5 16.9 12.8 -7.1 41.2 111 112 A V + 0 0 4 -3,-0.5 -10,-2.9 125,-0.1 -1,-0.2 -0.930 14.4 145.7-109.9 124.3 12.2 -5.1 38.0 112 113 A D 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22.5 349 16 B E H <> S+ 0 0 37 -3,-2.0 4,-1.1 -4,-0.3 -2,-0.2 0.825 118.2 43.8-101.9 -42.3 -7.2 -35.5 26.3 350 17 B V H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 -3,-0.2 0.767 108.0 56.5 -78.6 -27.5 -8.9 -32.2 26.9 351 18 B I H X S+ 0 0 1 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.935 107.8 46.4 -71.8 -45.7 -11.7 -32.5 24.3 352 19 B P H > S+ 0 0 32 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.903 113.1 53.1 -62.3 -33.6 -13.1 -35.8 25.5 353 20 B A H X S+ 0 0 5 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.933 108.7 48.1 -62.7 -46.3 -12.9 -34.2 29.0 354 21 B A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.897 109.0 53.9 -61.7 -40.8 -14.9 -31.2 27.8 355 22 B R H X S+ 0 0 73 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.899 105.9 54.3 -59.5 -40.9 -17.4 -33.6 26.2 356 23 B R H X S+ 0 0 82 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.937 109.5 45.6 -58.2 -50.6 -17.8 -35.3 29.6 357 24 B V H X S+ 0 0 1 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.896 110.4 55.3 -61.5 -41.1 -18.6 -32.1 31.4 358 25 B L H ><>S+ 0 0 1 -4,-2.5 3,-1.1 1,-0.2 5,-0.6 0.928 108.3 47.2 -58.5 -46.1 -21.0 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0.757 120.5 32.7 -60.4 -24.8 0.0 -36.1 7.9 379 46 B R H < S+ 0 0 190 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.738 132.9 27.4-104.6 -30.8 -2.8 -38.6 7.2 380 47 B R H < S- 0 0 151 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.675 97.5-120.8-105.1 -23.9 -5.1 -36.6 4.9 381 48 B G S < S+ 0 0 47 -4,-2.8 2,-0.3 -5,-0.4 -4,-0.2 0.381 89.5 69.0 96.4 -3.5 -2.7 -34.2 3.2 382 49 B T S S- 0 0 36 -6,-0.5 -2,-0.2 1,-0.1 -1,-0.1 -0.995 75.2-136.1-148.1 142.3 -4.5 -31.2 4.5 383 50 B S S S+ 0 0 0 -2,-0.3 -10,-2.0 25,-0.3 -7,-0.1 0.775 103.3 36.0 -68.2 -26.5 -5.0 -29.7 8.0 384 51 B V S S- 0 0 5 -12,-0.2 -1,-0.3 -8,-0.1 -12,-0.1 -0.729 80.5-153.8-133.5 87.0 -8.7 -29.1 7.3 385 52 B P >> - 0 0 18 0, 0.0 4,-1.3 0, 0.0 3,-0.9 -0.174 27.0-118.6 -54.8 147.8 -10.5 -31.8 5.2 386 53 B E H 3> S+ 0 0 105 1,-0.3 4,-2.0 2,-0.2 3,-0.2 0.866 115.5 60.3 -57.3 -36.6 -13.5 -30.7 3.2 387 54 B E H 3> S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.850 99.6 56.5 -60.1 -35.1 -15.6 -33.2 5.2 388 55 B T H <> S+ 0 0 4 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.902 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0.946 118.0 47.9 -73.6 -52.6 -11.2 -17.3 6.8 419 90 B R H <5S+ 0 0 106 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.899 126.8 28.5 -56.2 -43.6 -13.3 -20.0 5.3 420 91 B L H <5S- 0 0 16 -4,-2.5 161,-0.3 -5,-0.3 -1,-0.2 0.413 103.3-126.1 -99.8 0.2 -16.2 -19.5 7.7 421 92 B D T <5 + 0 0 40 -4,-0.6 2,-1.9 -3,-0.3 159,-0.4 0.945 36.6 177.3 52.3 54.2 -15.6 -15.7 8.3 422 93 B L < + 0 0 0 -5,-1.6 157,-0.3 -6,-0.3 -1,-0.2 -0.599 9.4 168.5 -86.0 75.4 -15.5 -16.2 12.1 423 94 B Y + 0 0 25 -2,-1.9 26,-2.5 -3,-0.2 2,-0.8 0.695 46.0 79.0 -67.7 -24.5 -14.7 -12.4 12.4 424 95 B A E -PQ 448 578C 4 154,-2.6 154,-2.9 24,-0.2 2,-0.7 -0.793 58.9-167.1 -96.8 110.6 -15.2 -12.0 16.2 425 96 B N E -PQ 447 577C 5 22,-2.7 22,-2.0 -2,-0.8 2,-0.5 -0.850 12.0-169.1 -94.0 113.3 -12.2 -13.2 18.3 426 97 B V E +PQ 446 576C 8 150,-2.8 150,-2.0 -2,-0.7 20,-0.2 -0.927 11.4 173.1-112.9 119.0 -13.4 -13.4 21.9 427 98 B R E -P 445 0C 29 18,-2.7 18,-2.3 -2,-0.5 148,-0.2 -0.890 12.5-161.0-129.7 103.4 -11.0 -13.9 24.7 428 99 B P E -P 444 0C 34 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