==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-OCT-12 4HCX . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE [NADP]; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.HAZRA,J.BLANCHARD . 804 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 630 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 0 0.0 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 0.1 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 . 57 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 298 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.9 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 1 2 5 1 3 2 0 0 4 3 1 1 1 5 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 3 6 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 . 1 5 2 0 3 0 2 0 2 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 1 2 0 0 0 0 0 1 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 5 A P 0 0 182 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.5 16.4 -15.7 -4.4 2 6 A K - 0 0 128 32,-0.1 32,-0.3 33,-0.0 31,-0.1 -0.929 360.0-131.9-100.1 107.6 14.4 -19.0 -4.5 3 7 A I E -a 34 0A 58 30,-1.9 32,-2.3 -2,-0.6 2,-0.5 -0.372 25.4-124.4 -55.1 124.6 14.9 -20.8 -1.1 4 8 A K E -a 35 0A 136 30,-0.2 2,-0.4 -2,-0.1 32,-0.2 -0.672 16.3-150.5 -84.5 120.0 15.7 -24.5 -2.0 5 9 A V - 0 0 2 30,-3.0 32,-0.2 -2,-0.5 4,-0.1 -0.766 8.7-158.1 -88.7 134.7 13.4 -27.1 -0.3 6 10 A S + 0 0 75 -2,-0.4 -1,-0.1 30,-0.1 337,-0.1 0.982 63.4 31.7 -82.9 -63.6 15.3 -30.3 0.2 7 11 A G S S- 0 0 12 335,-0.1 30,-0.4 1,-0.1 2,-0.1 -0.374 95.2 -79.7 -92.2 174.6 12.9 -33.3 0.5 8 12 A P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 60,-0.2 -0.384 26.9-150.2 -82.7 153.9 9.6 -33.7 -1.2 9 13 A V E -b 38 0B 0 28,-2.5 30,-2.9 -2,-0.1 2,-0.6 -0.989 17.6-139.2-113.0 121.5 6.2 -32.2 -0.2 10 14 A V E -bc 39 69B 0 58,-1.8 60,-2.0 -2,-0.5 2,-0.6 -0.724 18.8-159.3 -79.7 121.5 3.2 -34.4 -1.2 11 15 A E E -bc 40 70B 2 28,-2.3 30,-2.3 -2,-0.6 2,-0.8 -0.928 6.2-163.2-109.3 120.0 0.5 -32.1 -2.6 12 16 A L E -bc 41 71B 0 58,-2.5 60,-2.9 -2,-0.6 30,-0.2 -0.857 12.6-152.1-104.7 104.5 -3.1 -33.5 -2.6 13 17 A D E +b 42 0B 14 28,-2.6 30,-1.2 -2,-0.8 2,-0.1 -0.324 21.6 174.8 -73.4 165.5 -5.3 -31.3 -4.9 14 18 A G - 0 0 0 28,-0.1 2,-0.3 29,-0.1 60,-0.3 -0.400 17.1 -51.5-148.1-140.2 -9.0 -31.1 -4.1 15 19 A D >> - 0 0 5 58,-2.5 4,-0.9 -2,-0.1 3,-0.6 -0.775 63.6 -26.5-135.5 154.0 -12.4 -29.5 -5.1 16 20 A E H >> S- 0 0 10 -2,-0.3 4,-1.7 2,-0.2 3,-1.2 -0.076 115.9 -2.5 51.2-142.2 -14.6 -26.6 -5.8 17 21 A M H 3> S+ 0 0 0 293,-0.9 4,-2.7 1,-0.3 5,-0.3 0.877 134.2 55.0 -51.2 -44.0 -13.8 -23.1 -4.3 18 22 A T H <> S+ 0 0 0 292,-0.9 4,-2.1 -3,-0.6 -1,-0.3 0.851 104.7 53.0 -59.6 -33.0 -10.8 -24.5 -2.4 19 23 A R H X S+ 0 0 25 -4,-1.7 4,-1.5 1,-0.2 3,-0.8 0.971 119.0 40.9 -55.0 -58.2 -9.6 -22.4 -7.1 21 25 A I H 3X S+ 0 0 2 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.760 109.7 60.7 -59.6 -29.9 -8.1 -20.7 -4.0 22 26 A W H 3X S+ 0 0 1 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.753 103.5 48.7 -76.9 -29.0 -5.5 -23.5 -3.6 23 27 A K H S+ 0 0 0 -4,-1.2 4,-2.8 3,-0.2 5,-0.9 0.961 112.7 46.0 -67.7 -51.1 -1.8 -19.8 -3.1 26 30 A K H X>S+ 0 0 29 -4,-1.6 5,-2.9 1,-0.2 4,-0.7 0.886 120.6 38.5 -58.4 -41.6 0.6 -22.1 -4.8 27 31 A D H <5S+ 0 0 65 -4,-3.2 -1,-0.2 3,-0.2 -2,-0.2 0.819 127.0 31.2 -84.0 -34.0 1.2 -19.6 -7.7 28 32 A M H <5S+ 0 0 51 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.813 133.1 22.4 -92.1 -35.7 1.2 -16.3 -5.8 29 33 A L H <5S+ 0 0 0 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.1 0.530 127.6 27.7-118.8 -8.6 2.6 -17.3 -2.4 30 34 A I T >X S- 0 0 0 -30,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.387 72.4-108.7 -56.4 149.6 -10.3 -33.7 -7.1 45 49 A I H > S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.886 115.8 56.7 -60.7 -46.9 -13.5 -35.8 -7.5 46 50 A E H > S+ 0 0 109 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.901 111.1 43.6 -44.4 -48.2 -13.1 -36.3 -11.2 47 51 A H H > S+ 0 0 74 -3,-0.3 4,-0.8 2,-0.2 8,-0.3 0.818 113.4 49.4 -82.4 -26.7 -9.7 -37.8 -10.9 48 52 A R H >X>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 3,-0.8 0.929 114.7 46.6 -69.0 -40.1 -10.6 -40.0 -7.9 49 53 A D H ><5S+ 0 0 16 -4,-3.4 3,-1.1 1,-0.3 -2,-0.2 0.938 109.9 54.6 -67.0 -38.4 -13.6 -41.2 -9.9 50 54 A A H 3<5S+ 0 0 73 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.667 115.6 36.9 -66.9 -20.0 -11.4 -41.7 -13.0 51 55 A T H X<5S- 0 0 45 -4,-0.8 3,-1.4 -3,-0.8 -1,-0.3 0.297 112.5-113.6-113.7 11.9 -9.0 -44.0 -11.1 52 56 A D T <<5S- 0 0 91 -3,-1.1 -3,-0.2 -4,-0.6 -4,-0.1 0.865 74.8 -58.5 57.9 32.9 -11.7 -45.6 -9.0 53 57 A D T >> + 0 0 91 -3,-1.4 4,-2.5 -6,-0.3 3,-0.9 0.914 65.7 68.6 -55.7 -41.8 -6.6 -45.5 -6.3 55 59 A V H 3> S+ 0 0 9 -8,-0.3 4,-3.2 1,-0.3 -1,-0.2 0.877 97.2 54.4 -51.1 -31.1 -5.1 -41.9 -6.5 56 60 A T H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -1,-0.3 0.875 107.5 46.9 -69.2 -41.9 -6.1 -41.6 -2.8 57 61 A I H X S+ 0 0 8 -4,-2.9 4,-2.1 2,-0.2 3,-0.5 0.965 108.3 48.5 -64.3 -46.8 3.3 -41.0 -0.7 63 67 A I H 3X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.940 111.3 52.8 -54.6 -44.7 2.6 -39.0 2.5 64 68 A K H 3< S+ 0 0 109 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.799 109.9 45.7 -60.1 -36.1 3.8 -42.0 4.4 65 69 A K H << S+ 0 0 162 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.969 124.3 30.3 -72.0 -48.2 7.1 -42.4 2.6 66 70 A H H < S- 0 0 38 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.466 96.3-130.8 -99.2 -7.4 8.2 -38.7 2.6 67 71 A G S < S+ 0 0 7 -4,-2.3 235,-2.3 -5,-0.3 2,-0.4 0.314 72.8 87.3 79.6 -8.3 6.5 -37.5 5.9 68 72 A V E + d 0 302B 0 -6,-0.2 -58,-1.8 -60,-0.2 2,-0.4 -0.975 43.9 174.5-130.4 131.0 4.8 -34.3 4.7 69 73 A G E -cd 10 303B 0 233,-2.0 235,-2.6 -2,-0.4 2,-0.4 -0.991 8.1-175.2-130.7 135.4 1.3 -33.8 3.2 70 74 A V E -cd 11 304B 0 -60,-2.0 -58,-2.5 -2,-0.4 2,-0.4 -0.995 20.5-167.8-124.3 134.9 -0.5 -30.6 2.4 71 75 A K E -cd 12 305B 0 233,-2.4 235,-0.7 -2,-0.4 2,-0.2 -0.980 21.3-139.3-137.0 135.4 -4.0 -31.1 1.2 72 76 A C - 0 0 0 -60,-2.9 238,-0.1 -2,-0.4 -53,-0.1 -0.579 46.7 -91.7 -76.5 147.7 -6.8 -29.1 -0.4 73 77 A A - 0 0 4 -2,-0.2 -58,-2.5 236,-0.2 2,-0.3 -0.338 51.6-162.7 -58.4 145.5 -10.4 -29.6 0.9 74 78 A T - 0 0 13 -60,-0.3 2,-0.5 -30,-0.1 236,-0.2 -0.924 21.1-100.8-134.2 153.6 -12.2 -32.5 -1.1 75 79 A I - 0 0 5 -2,-0.3 -59,-0.0 234,-0.1 234,-0.0 -0.658 24.2-147.3 -78.8 127.0 -15.7 -33.7 -1.7 76 80 A T - 0 0 68 -2,-0.5 5,-0.1 17,-0.1 17,-0.1 -0.838 31.9-117.3 -85.5 121.0 -16.8 -36.7 0.3 77 81 A P + 0 0 9 0, 0.0 2,-0.3 0, 0.0 16,-0.1 -0.265 43.1 160.2 -67.4 143.5 -19.3 -38.5 -2.0 78 82 A D > - 0 0 80 14,-0.1 4,-2.7 1,-0.0 5,-0.2 -0.861 59.8 -77.5-141.7-177.5 -22.9 -39.0 -1.0 79 83 A E H > S+ 0 0 77 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.914 131.2 49.4 -56.8 -39.4 -26.0 -39.8 -3.1 80 84 A A H > S+ 0 0 70 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.909 111.7 48.4 -62.5 -40.2 -26.3 -36.2 -4.4 81 85 A R H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 6,-0.4 0.871 104.1 61.3 -73.2 -29.3 -22.6 -36.1 -5.4 82 86 A V H X>S+ 0 0 41 -4,-2.7 5,-1.2 1,-0.2 4,-1.1 0.952 110.1 40.3 -57.2 -47.2 -23.0 -39.4 -7.1 83 87 A E H <5S+ 0 0 87 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.825 113.5 53.7 -70.5 -32.7 -25.6 -37.9 -9.5 84 88 A E H <5S+ 0 0 79 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.912 123.9 24.4 -71.3 -43.8 -23.8 -34.6 -9.9 85 89 A F H <5S- 0 0 50 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.444 101.5-122.3-101.8 4.2 -20.4 -36.1 -11.0 86 90 A N T <5 - 0 0 113 -4,-1.1 -3,-0.2 -5,-0.3 -4,-0.1 0.902 39.9-164.1 52.7 42.8 -21.8 -39.5 -12.4 87 91 A L < - 0 0 9 -5,-1.2 -1,-0.1 -6,-0.4 3,-0.1 -0.239 21.6-140.4 -57.2 141.0 -19.5 -41.4 -9.9 88 92 A K S S+ 0 0 113 1,-0.2 2,-0.3 -39,-0.1 -1,-0.1 0.886 85.2 0.6 -76.9 -37.1 -19.0 -45.0 -10.7 89 93 A K S S- 0 0 134 3,-0.0 2,-1.8 -40,-0.0 -1,-0.2 -0.920 87.7 -93.6-136.1 168.7 -19.3 -46.0 -7.0 90 94 A M - 0 0 95 -2,-0.3 -11,-0.1 -3,-0.1 -8,-0.0 -0.579 50.3-148.1 -85.4 86.7 -19.8 -44.0 -3.9 91 95 A W - 0 0 20 -2,-1.8 -38,-0.1 1,-0.1 -42,-0.0 -0.108 16.1-112.0 -58.7 139.7 -16.2 -43.6 -3.1 92 96 A L - 0 0 129 1,-0.2 -1,-0.1 -16,-0.1 5,-0.1 -0.329 46.9 -73.6 -72.1 157.6 -15.4 -43.4 0.6 93 97 A S > - 0 0 30 1,-0.2 4,-1.5 -16,-0.1 -1,-0.2 -0.205 38.1-142.2 -49.6 129.2 -14.2 -40.3 2.3 94 98 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.841 100.7 57.7 -67.1 -32.6 -10.6 -39.7 1.3 95 99 A N H > S+ 0 0 30 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.896 104.3 53.2 -58.1 -41.7 -9.7 -38.4 4.8 96 100 A G H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 109.3 48.3 -60.2 -40.9 -10.9 -41.8 6.1 97 101 A T H X S+ 0 0 28 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.872 115.8 43.7 -72.0 -34.5 -8.6 -43.6 3.7 98 102 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.954 112.1 51.0 -75.0 -47.2 -5.6 -41.4 4.6 99 103 A R H X S+ 0 0 87 -4,-3.5 4,-2.7 1,-0.2 -2,-0.2 0.933 113.9 47.7 -46.6 -53.9 -6.2 -41.5 8.4 100 104 A N H < S+ 0 0 142 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.865 114.4 42.1 -66.2 -44.9 -6.4 -45.2 8.1 101 105 A I H < S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.897 125.4 37.7 -70.2 -35.4 -3.2 -45.8 6.0 102 106 A L H < S- 0 0 15 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.775 92.5-157.1 -82.9 -26.9 -1.3 -43.3 8.0 103 107 A G < + 0 0 32 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.379 40.5 107.3 71.4-162.7 -2.6 -43.9 11.4 104 108 A G - 0 0 11 -2,-0.1 192,-0.2 -4,-0.1 2,-0.2 0.118 65.6 -72.3 80.5 167.1 -2.3 -41.0 13.8 105 109 A T E -E 295 0B 5 190,-1.8 190,-2.1 85,-0.1 2,-0.5 -0.643 32.0-126.5-111.2 144.9 -4.5 -38.5 15.5 106 110 A I E -EF 294 131B 34 25,-0.8 25,-2.2 -2,-0.2 2,-0.4 -0.839 24.8-166.4 -96.3 130.8 -6.3 -35.4 14.1 107 111 A F E - F 0 130B 0 186,-1.9 2,-0.7 -2,-0.5 186,-0.3 -0.943 12.6-145.4-119.3 135.7 -5.6 -32.1 15.9 108 112 A R E - F 0 129B 51 21,-3.3 21,-1.4 -2,-0.4 184,-0.2 -0.886 20.8-176.0-104.8 112.8 -7.7 -29.0 15.4 109 113 A E E -G 291 0B 45 182,-1.5 182,-2.5 -2,-0.7 19,-0.1 -0.924 9.8-152.2-116.8 117.0 -5.5 -25.8 15.7 110 114 A P E -G 290 0B 2 0, 0.0 2,-0.6 0, 0.0 180,-0.2 -0.406 12.8-127.8 -83.3 157.0 -7.0 -22.3 15.5 111 115 A I - 0 0 11 178,-2.8 2,-0.4 -2,-0.1 219,-0.1 -0.920 19.1-147.5-106.1 117.4 -5.3 -19.2 14.3 112 116 A V + 0 0 40 -2,-0.6 2,-0.3 12,-0.1 12,-0.0 -0.715 18.3 176.7 -87.8 132.5 -5.4 -16.2 16.6 113 117 A I > - 0 0 3 -2,-0.4 3,-3.3 3,-0.4 -2,-0.0 -0.879 27.4-136.4-143.1 106.6 -5.5 -12.7 15.1 114 118 A S T 3 S+ 0 0 77 -2,-0.3 -1,-0.1 1,-0.3 249,-0.0 0.578 97.3 42.6 -39.1 -43.2 -5.8 -9.8 17.5 115 119 A N T 3 S+ 0 0 50 2,-0.1 -1,-0.3 1,-0.0 253,-0.0 0.432 95.0 85.5 -95.9 -0.3 -8.4 -7.6 15.8 116 120 A V S < S- 0 0 3 -3,-3.3 -3,-0.4 263,-0.0 2,-0.1 -0.925 83.2-135.5 -96.8 112.8 -10.6 -10.4 14.8 117 121 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.410 8.6-143.6 -68.4 137.7 -12.7 -10.9 17.9 118 122 A R - 0 0 33 5,-0.2 166,-0.2 -2,-0.1 165,-0.1 -0.740 26.6-116.7 -91.9 156.2 -13.5 -14.4 19.4 119 123 A L S S+ 0 0 60 164,-3.8 406,-0.4 -2,-0.3 165,-0.1 0.631 113.7 51.7 -69.8 -10.9 -16.8 -15.0 20.9 120 124 A V S > S- 0 0 1 163,-0.2 3,-3.2 403,-0.2 -1,-0.2 -0.906 76.8-163.2-122.6 95.8 -15.1 -15.6 24.2 121 125 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 402,-0.1 0.820 83.9 72.3 -59.6 -29.7 -12.9 -12.5 24.6 122 126 A G T 3 S+ 0 0 43 400,-0.5 401,-0.1 136,-0.1 2,-0.0 0.775 76.9 97.7 -47.2 -32.6 -10.9 -14.3 27.2 123 127 A W < + 0 0 0 -3,-3.2 -5,-0.2 1,-0.2 139,-0.2 -0.371 33.1 144.9 -71.7 151.3 -9.4 -16.5 24.5 124 128 A T + 0 0 71 137,-2.9 138,-0.2 1,-0.4 -1,-0.2 0.391 57.7 51.1-162.1 -25.5 -6.0 -15.3 23.4 125 129 A K S S- 0 0 80 136,-2.9 -1,-0.4 -14,-0.0 2,-0.2 -0.841 95.0 -84.6-121.9 162.0 -4.0 -18.4 22.6 126 130 A P - 0 0 19 0, 0.0 137,-2.5 0, 0.0 138,-1.1 -0.528 31.0-150.4 -68.9 130.9 -4.9 -21.4 20.4 127 131 A I E - h 0 264B 1 -2,-0.2 2,-0.5 135,-0.2 138,-0.2 -0.944 18.2-159.6 -92.4 109.7 -6.9 -24.2 22.0 128 132 A V E - h 0 265B 0 136,-2.2 138,-3.8 -2,-0.7 2,-0.5 -0.818 5.5-164.4 -93.5 132.5 -5.9 -27.4 20.2 129 133 A I E -Fh 108 266B 3 -21,-1.4 -21,-3.3 -2,-0.5 2,-0.4 -0.965 3.1-166.2-118.5 126.0 -8.1 -30.3 20.4 130 134 A G E -Fh 107 267B 0 136,-2.9 138,-3.2 -2,-0.5 2,-0.5 -0.927 12.4-153.2-108.6 137.1 -6.9 -33.8 19.4 131 135 A R E -Fh 106 268B 69 -25,-2.2 -25,-0.8 -2,-0.4 138,-0.2 -0.949 24.4-111.5-121.3 121.9 -9.6 -36.3 18.9 132 136 A H - 0 0 3 136,-2.2 141,-0.1 -2,-0.5 56,-0.1 -0.285 28.0-149.3 -47.5 122.7 -9.2 -40.0 19.4 133 137 A A + 0 0 46 54,-0.1 2,-0.4 -34,-0.0 -1,-0.2 0.492 68.7 55.2 -76.0 -5.1 -9.4 -41.2 15.8 134 138 A F S S- 0 0 43 53,-0.1 136,-0.3 50,-0.1 50,-0.1 -0.973 86.1 -11.2-137.9 142.7 -11.0 -44.6 16.7 135 139 A G > + 0 0 2 -2,-0.4 3,-1.1 1,-0.1 48,-0.2 -0.281 66.8 84.9 90.4-162.0 -13.7 -46.3 18.6 136 140 A D G > S- 0 0 0 46,-2.0 3,-2.3 1,-0.2 46,-0.4 -0.226 108.5 -2.8 49.0-135.2 -16.5 -45.5 21.1 137 141 A Q G > S+ 0 0 17 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.798 127.6 66.4 -53.5 -33.8 -19.8 -44.2 19.7 138 142 A Y G < S+ 0 0 55 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.598 111.6 33.6 -72.1 -7.0 -18.5 -44.2 16.1 139 143 A R G < S+ 0 0 125 -3,-2.3 -1,-0.3 43,-0.1 -2,-0.2 0.146 93.9 143.1-122.1 17.7 -18.2 -48.0 16.2 140 144 A A < - 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0 0 0 29,-0.1 2,-0.3 28,-0.1 60,-0.2 -0.396 14.9 -48.3-148.8-146.3 -30.9 -27.7 54.7 418 19 B D > - 0 0 4 58,-2.5 4,-1.5 29,-0.1 3,-0.4 -0.722 60.9 -37.9-126.6 155.8 -27.4 -27.4 55.7 419 20 B E H >> S- 0 0 9 -2,-0.3 4,-1.3 2,-0.2 3,-1.2 0.106 115.2 -0.7 46.6-135.1 -24.4 -25.3 56.8 420 21 B M H >> S+ 0 0 0 293,-0.8 4,-1.6 1,-0.3 3,-0.7 0.918 134.5 53.4 -59.0 -45.5 -24.0 -21.8 55.2 421 22 B T H 3> S+ 0 0 3 292,-1.4 4,-1.9 -3,-0.4 -1,-0.3 0.793 101.3 60.8 -57.1 -30.1 -27.0 -22.1 53.0 422 23 B R H S+ 0 0 43 -4,-2.0 4,-3.4 1,-0.2 5,-0.6 0.932 110.5 49.9 -43.8 -51.3 -32.6 -14.7 56.7 428 29 B I H X>S+ 0 0 0 -4,-3.2 4,-1.6 1,-0.2 5,-0.7 0.917 112.3 45.6 -56.8 -47.6 -34.3 -15.1 53.3 429 30 B K H X>S+ 0 0 26 -4,-1.6 5,-2.9 3,-0.2 4,-1.3 0.954 121.0 38.7 -57.9 -47.6 -37.5 -16.5 54.8 430 31 B D H <5S+ 0 0 62 -4,-3.1 -2,-0.2 3,-0.2 -3,-0.2 0.909 125.1 33.6 -77.0 -48.3 -37.7 -13.9 57.6 431 32 B M H <5S+ 0 0 62 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.908 131.7 24.2 -75.7 -45.7 -36.5 -10.8 55.7 432 33 B L H << S- 0 0 0 -30,-0.2 4,-1.8 1,-0.1 3,-0.5 -0.382 75.1-104.4 -60.4 153.9 -30.5 -30.6 57.6 448 49 B I H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.1 0.835 116.3 55.6 -56.8 -35.3 -28.2 -33.6 57.9 449 50 B E H > S+ 0 0 114 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.884 109.2 43.4 -68.7 -43.9 -29.0 -34.2 61.6 450 51 B H H > S+ 0 0 77 -3,-0.5 4,-1.2 2,-0.2 8,-0.3 0.789 112.6 53.7 -77.2 -27.1 -32.8 -34.5 61.3 451 52 B R H ><>S+ 0 0 0 -4,-1.8 5,-3.3 2,-0.2 3,-0.7 0.972 112.9 44.3 -66.7 -47.1 -32.3 -36.7 58.3 452 53 B D H ><5S+ 0 0 14 -4,-3.1 3,-1.8 1,-0.2 -2,-0.2 0.917 109.1 56.6 -58.9 -42.7 -30.0 -38.8 60.4 453 54 B A H 3<5S+ 0 0 77 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.781 114.7 38.6 -63.8 -25.7 -32.5 -38.7 63.4 454 55 B T T X<5S- 0 0 43 -4,-1.2 3,-1.8 -3,-0.7 -1,-0.3 0.268 111.5-116.2-102.3 7.5 -35.3 -40.1 61.1 455 56 B D T < 5S- 0 0 86 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.907 75.9 -58.3 52.6 39.2 -33.0 -42.5 59.3 456 57 B D T >> + 0 0 92 -3,-1.8 4,-2.2 -6,-0.3 3,-0.6 0.885 66.9 67.1 -56.1 -36.2 -37.7 -41.0 56.4 458 59 B V H 3> S+ 0 0 6 -8,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.865 96.2 55.6 -54.2 -35.6 -38.0 -37.2 56.5 459 60 B T H <> S+ 0 0 0 -3,-0.9 4,-1.7 1,-0.2 -1,-0.3 0.870 107.2 47.0 -65.2 -41.4 -36.7 -37.2 52.9 460 61 B I H - 0 0 82 -2,-0.0 4,-2.0 1,-0.0 3,-0.2 -0.744 62.8 -71.3-140.8-166.4 -19.7 -39.5 51.9 482 83 B E H > S+ 0 0 166 1,-0.3 4,-1.8 -2,-0.2 3,-0.3 0.930 128.8 49.8 -65.3 -53.0 -17.1 -40.9 54.2 483 84 B A H > S+ 0 0 67 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.840 113.1 48.1 -49.7 -37.5 -15.9 -37.6 55.7 484 85 B R H > S+ 0 0 38 -3,-0.2 4,-2.6 2,-0.2 6,-0.4 0.849 104.1 59.3 -79.0 -28.1 -19.5 -36.6 56.5 485 86 B V H X>S+ 0 0 43 -4,-2.0 5,-1.5 -3,-0.3 4,-0.6 0.888 115.0 37.9 -62.7 -35.5 -20.3 -39.9 58.0 486 87 B E H <5S+ 0 0 82 -4,-1.8 3,-0.3 3,-0.2 -2,-0.2 0.903 114.7 52.8 -79.0 -46.9 -17.5 -39.2 60.4 487 88 B E H <5S+ 0 0 84 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.890 124.7 26.2 -56.4 -41.0 -18.2 -35.5 60.9 488 89 B F H <5S- 0 0 50 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.471 101.3-122.5-107.2 1.6 -21.8 -36.0 61.7 489 90 B N T <5 - 0 0 114 -4,-0.6 -3,-0.2 -3,-0.3 -4,-0.1 0.918 39.9-163.4 57.2 45.6 -21.7 -39.6 63.2 490 91 B L < - 0 0 11 -5,-1.5 -1,-0.2 -6,-0.4 3,-0.1 -0.350 22.0-138.9 -66.6 139.3 -24.2 -40.8 60.6 491 92 B K S S- 0 0 113 1,-0.2 2,-0.3 -39,-0.0 -1,-0.1 0.848 85.5 -7.9 -63.5 -34.1 -25.9 -44.1 61.4 492 93 B K S S- 0 0 137 -7,-0.0 2,-1.7 0, 0.0 -1,-0.2 -0.948 88.6 -85.1-154.3 166.8 -25.6 -45.1 57.7 493 94 B M - 0 0 97 -2,-0.3 -11,-0.1 -3,-0.1 -8,-0.0 -0.560 51.2-149.1 -85.0 87.7 -24.5 -43.4 54.5 494 95 B W - 0 0 26 -2,-1.7 2,-0.1 1,-0.1 -38,-0.1 -0.104 16.0-114.5 -62.4 146.0 -27.8 -41.8 53.5 495 96 B L - 0 0 135 1,-0.1 -1,-0.1 -16,-0.1 5,-0.1 -0.449 47.3 -73.1 -80.6 155.9 -28.4 -41.4 49.8 496 97 B S > - 0 0 36 1,-0.2 4,-1.5 -16,-0.1 3,-0.3 -0.224 37.8-143.6 -42.3 122.3 -28.6 -37.9 48.1 497 98 B P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.811 101.0 59.9 -68.6 -24.3 -32.0 -36.4 49.1 498 99 B N H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.894 104.5 47.9 -64.2 -40.0 -32.1 -34.9 45.7 499 100 B G H > S+ 0 0 25 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.793 113.1 48.0 -70.5 -31.8 -32.0 -38.3 44.1 500 101 B T H X S+ 0 0 30 -4,-1.5 4,-1.6 2,-0.2 5,-0.2 0.925 112.2 49.2 -78.1 -41.9 -34.7 -39.6 46.4 501 102 B I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-0.3 0.946 111.2 50.8 -55.7 -46.3 -36.9 -36.6 45.8 502 103 B R H X S+ 0 0 94 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.836 110.4 48.5 -60.4 -35.4 -36.4 -37.0 42.0 503 104 B N H < S+ 0 0 140 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.739 112.1 46.8 -83.3 -26.6 -37.3 -40.7 42.1 504 105 B I H < S+ 0 0 32 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.907 125.3 31.7 -78.8 -41.0 -40.4 -40.2 44.1 505 106 B L H < S- 0 0 10 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.675 92.1-156.2 -87.7 -21.4 -41.6 -37.3 42.0 506 107 B G < + 0 0 33 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.358 40.7 110.2 61.3-153.6 -40.1 -38.3 38.6 507 108 B G - 0 0 14 -4,-0.1 2,-0.3 -2,-0.1 192,-0.3 -0.242 62.9 -71.3 84.8-173.8 -39.6 -35.4 36.2 508 109 B T E -W 698 0G 4 190,-2.4 190,-1.9 85,-0.1 2,-0.5 -0.852 31.4-122.3-127.8 148.6 -36.6 -33.5 34.8 509 110 B I E -WX 697 534G 42 25,-0.9 25,-2.4 -2,-0.3 2,-0.5 -0.843 23.3-167.4 -99.4 128.4 -33.9 -31.0 36.1 510 111 B F E - X 0 533G 0 186,-3.1 2,-0.7 -2,-0.5 186,-0.4 -0.944 12.3-149.1-113.7 124.1 -33.6 -27.6 34.5 511 112 B R E - X 0 532G 52 21,-2.8 21,-1.1 -2,-0.5 184,-0.2 -0.847 19.1-172.8 -92.0 110.9 -30.6 -25.3 35.1 512 113 B E E -C 694 0H 39 182,-2.3 182,-2.2 -2,-0.7 2,-0.2 -0.911 7.4-155.3-107.4 110.8 -31.9 -21.6 34.9 513 114 B P E -C 693 0H 5 0, 0.0 2,-0.6 0, 0.0 180,-0.2 -0.607 12.8-129.5 -91.0 159.6 -29.2 -18.9 35.0 514 115 B I - 0 0 9 178,-2.1 2,-0.7 -2,-0.2 219,-0.1 -0.912 18.9-150.9-109.9 111.5 -29.9 -15.4 36.1 515 116 B V - 0 0 34 -2,-0.6 2,-0.6 12,-0.1 3,-0.1 -0.814 12.3-172.3-100.2 114.3 -28.5 -12.9 33.7 516 117 B I > - 0 0 2 -2,-0.7 3,-3.3 3,-0.2 -2,-0.0 -0.909 22.4-138.7-109.7 108.0 -27.5 -9.6 35.3 517 118 B S T 3 S+ 0 0 73 -2,-0.6 -1,-0.1 1,-0.3 249,-0.0 0.721 101.6 42.5 -33.9 -48.7 -26.6 -6.7 32.9 518 119 B N T 3 S+ 0 0 48 2,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.542 94.8 84.0 -88.1 -5.5 -23.6 -5.5 34.9 519 120 B V S < S- 0 0 3 -3,-3.3 -3,-0.2 262,-0.0 2,-0.1 -0.878 84.5-128.6 -91.5 117.7 -22.2 -9.0 35.8 520 121 B P - 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