==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-SEP-11 3ZZM . COMPND 2 MOLECULE: BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.LE NOURS,E.M.M.BULLOCH,Z.ZHANG,D.R.GREENWOOD,M.J.MIDDLEDIT . 1038 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 698 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 11.8 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 39 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 2 4 3 3 4 6 4 4 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 8 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 0 PARALLEL BRIDGES PER LADDER . 2 0 4 6 4 2 3 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 2 0 0 1 0 0 0 2 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 4 A D 0 0 200 0, 0.0 166,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.5 65.0 99.8 -30.3 2 5 A D - 0 0 104 165,-0.1 166,-2.4 166,-0.1 167,-0.4 0.499 360.0-118.2 -72.5 -10.0 66.9 100.2 -26.9 3 6 A G + 0 0 17 164,-0.2 2,-0.2 1,-0.2 163,-0.1 0.753 50.5 174.1 71.2 28.8 64.9 103.5 -26.3 4 7 A R - 0 0 87 163,-0.1 -1,-0.2 161,-0.1 163,-0.2 -0.475 15.5-165.0 -68.2 131.7 68.2 105.6 -26.3 5 8 A R - 0 0 81 161,-0.9 161,-0.5 -2,-0.2 159,-0.1 -0.984 23.6-121.9-120.6 112.1 67.5 109.3 -26.1 6 9 A P - 0 0 80 0, 0.0 2,-0.5 0, 0.0 159,-0.1 -0.353 27.8-117.6 -56.9 134.3 70.6 111.5 -27.1 7 10 A I + 0 0 19 1,-0.2 3,-0.1 154,-0.1 158,-0.1 -0.650 50.8 150.8 -74.5 119.6 71.6 113.9 -24.2 8 11 A R + 0 0 176 -2,-0.5 25,-2.6 1,-0.4 2,-0.4 0.659 65.8 29.1-117.3 -37.0 71.2 117.5 -25.3 9 12 A R E -a 33 0A 10 23,-0.2 92,-1.8 90,-0.0 93,-1.5 -0.999 64.2-168.0-134.9 132.1 70.4 119.3 -22.0 10 13 A A E -ab 34 102A 0 23,-2.8 25,-2.9 -2,-0.4 2,-0.6 -0.954 12.3-150.7-122.1 137.1 71.4 118.5 -18.5 11 14 A L E -ab 35 103A 1 91,-2.3 93,-3.1 -2,-0.4 2,-0.5 -0.942 21.4-176.1-105.1 115.3 70.2 119.9 -15.1 12 15 A I E +ab 36 104A 0 23,-2.9 25,-0.9 -2,-0.6 2,-0.3 -0.975 19.2 152.0-122.0 122.1 72.9 119.7 -12.5 13 16 A S E + b 0 105A 17 91,-2.4 93,-0.8 -2,-0.5 2,-0.4 -0.852 19.5 166.0-148.1 95.6 72.4 120.8 -8.9 14 17 A V E - b 0 106A 4 -2,-0.3 93,-0.2 91,-0.2 3,-0.1 -0.980 35.0-160.8-123.0 135.3 74.7 119.0 -6.5 15 18 A Y S S+ 0 0 116 91,-1.7 2,-0.5 -2,-0.4 -1,-0.2 0.975 93.3 50.2 -67.5 -56.7 75.6 119.6 -2.9 16 19 A D S S- 0 0 75 91,-0.2 -1,-0.2 1,-0.1 90,-0.0 -0.748 71.1-164.1 -83.8 118.7 78.8 117.5 -3.3 17 20 A K > + 0 0 56 -2,-0.5 3,-1.6 -3,-0.1 4,-0.4 0.158 35.6 144.4 -94.6 23.8 80.8 118.6 -6.3 18 21 A T T 3 S- 0 0 86 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.425 80.3 -1.2 -66.4 123.8 83.1 115.4 -6.4 19 22 A G T 3> S+ 0 0 34 -2,-0.2 4,-2.1 1,-0.0 -1,-0.3 0.430 97.9 122.5 74.6 5.6 83.8 114.5 -10.1 20 23 A L H <> + 0 0 1 -3,-1.6 4,-3.3 2,-0.2 5,-0.2 0.895 67.8 52.5 -63.2 -49.3 81.6 117.4 -11.3 21 24 A V H > S+ 0 0 54 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.922 113.2 44.3 -57.0 -48.1 84.4 119.2 -13.4 22 25 A D H > S+ 0 0 114 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.890 115.6 48.5 -64.6 -40.8 85.2 115.9 -15.4 23 26 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.968 114.8 44.7 -61.6 -52.3 81.5 115.2 -15.8 24 27 A A H X S+ 0 0 0 -4,-3.3 4,-3.1 1,-0.2 -2,-0.2 0.851 111.6 53.1 -60.4 -40.8 80.8 118.8 -17.1 25 28 A Q H X S+ 0 0 91 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.915 111.3 46.7 -62.2 -43.9 83.8 118.8 -19.3 26 29 A G H X S+ 0 0 21 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.893 114.9 46.3 -63.3 -43.4 82.6 115.5 -21.0 27 30 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 3,-0.3 0.926 113.1 47.7 -67.8 -46.6 79.0 116.9 -21.4 28 31 A S H ><5S+ 0 0 30 -4,-3.1 3,-1.6 1,-0.2 -2,-0.2 0.887 108.4 56.1 -62.3 -39.5 80.1 120.3 -22.8 29 32 A A H 3<5S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.826 106.0 51.0 -60.4 -34.4 82.5 118.5 -25.3 30 33 A A T 3<5S- 0 0 63 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.479 125.2-107.0 -80.8 -3.5 79.5 116.5 -26.6 31 34 A G T < 5 + 0 0 63 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.654 65.2 158.0 83.5 20.2 77.7 119.8 -27.0 32 35 A V < - 0 0 8 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.3 -0.654 41.1-129.6 -78.7 128.8 75.3 119.3 -24.0 33 36 A E E -a 9 0A 65 -25,-2.6 -23,-2.8 -2,-0.4 2,-0.5 -0.640 21.3-146.5 -75.7 126.3 73.8 122.5 -22.6 34 37 A I E -a 10 0A 3 16,-0.4 18,-3.1 -2,-0.4 2,-0.5 -0.880 12.4-168.5-102.6 126.0 74.4 122.5 -18.8 35 38 A I E +ac 11 52A 0 -25,-2.9 -23,-2.9 -2,-0.5 2,-0.3 -0.970 22.1 166.7-112.0 122.5 71.7 124.2 -16.6 36 39 A S E -ac 12 53A 1 16,-2.1 18,-1.5 -2,-0.5 -23,-0.2 -0.953 33.9-120.7-141.6 160.5 72.8 124.7 -13.0 37 40 A T > - 0 0 4 -25,-0.9 4,-3.0 -2,-0.3 5,-0.2 -0.297 58.0 -66.2 -84.6 174.1 72.0 126.5 -9.7 38 41 A G H > S+ 0 0 28 1,-0.2 4,-1.5 2,-0.2 -2,-0.0 0.773 122.9 19.1 -25.2 -90.1 74.4 128.9 -7.9 39 42 A S H > S+ 0 0 63 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.770 123.1 57.5 -69.6 -27.8 77.6 127.2 -6.7 40 43 A T H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.959 110.1 46.2 -64.1 -45.7 77.3 124.2 -9.1 41 44 A A H X S+ 0 0 15 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.854 112.3 51.6 -61.8 -36.7 77.2 126.8 -11.9 42 45 A K H X S+ 0 0 137 -4,-1.5 4,-2.9 -5,-0.2 -2,-0.2 0.959 108.8 48.9 -64.5 -52.5 80.3 128.5 -10.2 43 46 A T H < S+ 0 0 45 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.848 119.9 38.9 -54.3 -42.3 82.4 125.3 -10.0 44 47 A I H ><>S+ 0 0 0 -4,-2.1 5,-1.2 -5,-0.2 3,-1.2 0.915 116.4 50.0 -76.5 -46.6 81.6 124.5 -13.7 45 48 A A H ><5S+ 0 0 47 -4,-3.1 3,-1.8 1,-0.2 -2,-0.2 0.830 100.6 63.7 -62.9 -35.5 81.9 128.2 -14.9 46 49 A D T 3<5S+ 0 0 138 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.659 98.7 57.0 -62.7 -18.3 85.3 128.7 -13.2 47 50 A T T < 5S- 0 0 65 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.520 123.7-106.8 -87.2 -12.2 86.7 125.9 -15.6 48 51 A G T < 5S+ 0 0 65 -3,-1.8 -3,-0.2 1,-0.4 -2,-0.1 0.375 76.3 138.6 95.9 -0.6 85.6 128.0 -18.6 49 52 A I < - 0 0 7 -5,-1.2 -1,-0.4 1,-0.1 -2,-0.2 -0.626 58.9-114.3 -74.7 128.9 82.6 125.6 -19.4 50 53 A P - 0 0 105 0, 0.0 -16,-0.4 0, 0.0 2,-0.4 -0.410 34.2-166.1 -68.6 140.8 79.5 127.6 -20.3 51 54 A V - 0 0 33 -2,-0.1 -16,-0.2 -18,-0.1 -18,-0.0 -0.996 19.6-143.6-130.3 135.4 76.5 127.4 -17.9 52 55 A T E -c 35 0A 19 -18,-3.1 -16,-2.1 -2,-0.4 2,-0.1 -0.864 30.1-133.7 -90.3 114.6 72.9 128.4 -18.3 53 56 A P E >> -c 36 0A 56 0, 0.0 4,-1.0 0, 0.0 3,-0.9 -0.477 12.3-124.8 -68.2 149.4 71.8 129.7 -14.9 54 57 A V H >> S+ 0 0 3 -18,-1.5 4,-2.5 1,-0.2 3,-0.5 0.889 111.1 61.0 -62.1 -36.5 68.4 128.3 -13.6 55 58 A E H 3> S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.736 98.6 56.7 -59.0 -31.0 67.2 132.0 -13.2 56 59 A Q H <4 S+ 0 0 142 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.882 112.4 41.9 -68.3 -38.0 67.7 132.6 -17.0 57 60 A L H << S+ 0 0 39 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.909 127.3 30.3 -74.3 -45.4 65.4 129.7 -17.7 58 61 A T H < S- 0 0 11 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.703 88.6-139.3 -87.3 -28.2 62.7 130.6 -15.0 59 62 A G S < S+ 0 0 69 -4,-2.4 -3,-0.1 -5,-0.3 -4,-0.1 0.537 73.1 108.3 74.2 4.4 63.1 134.4 -15.0 60 63 A F - 0 0 33 -6,-0.2 -1,-0.2 9,-0.1 -2,-0.2 -0.962 69.1-124.2-115.5 129.4 62.8 134.0 -11.1 61 64 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 7,-0.1 -0.177 28.3 -97.0 -68.3 166.0 65.8 134.5 -8.8 62 65 A E + 0 0 54 5,-0.0 2,-0.2 8,-0.0 3,-0.2 -0.716 62.0 179.8 -75.0 120.8 67.3 132.1 -6.2 63 66 A V >> + 0 0 21 -2,-0.4 4,-1.8 1,-0.2 5,-1.3 -0.806 40.2 35.1-128.5 170.2 65.6 133.5 -3.0 64 67 A L T 45S- 0 0 7 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.880 128.8 -54.4 54.4 48.8 65.3 133.0 0.8 65 68 A D T 45S- 0 0 113 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.884 112.1 -42.2 53.8 51.9 69.0 131.9 1.2 66 69 A G T 45S+ 0 0 18 -3,-0.2 -1,-0.2 3,-0.0 -2,-0.2 0.768 109.6 119.0 70.5 31.2 68.7 129.1 -1.4 67 70 A R T <5S+ 0 0 12 -4,-1.8 63,-0.3 -3,-0.1 -3,-0.2 0.788 80.3 25.5 -92.8 -35.0 65.3 127.7 -0.3 68 71 A V S > S- 0 0 19 -2,-2.2 4,-2.2 519,-0.2 3,-1.7 -0.990 76.2-125.3-146.8 143.0 59.4 126.5 -10.7 73 76 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.744 108.9 66.1 -66.4 -19.4 57.4 125.1 -13.7 74 77 A R H 34 S+ 0 0 77 2,-0.2 24,-0.2 3,-0.1 4,-0.1 0.578 112.3 35.5 -79.9 -4.6 60.1 126.3 -16.1 75 78 A V H <> S+ 0 0 0 -3,-1.7 4,-0.8 -5,-0.2 3,-0.2 0.791 122.4 42.6-100.4 -57.2 62.4 123.7 -14.4 76 79 A H H X S+ 0 0 0 -4,-2.2 4,-2.4 -6,-0.3 -2,-0.2 0.691 105.5 61.3 -70.2 -24.1 59.9 120.9 -13.7 77 80 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.942 105.3 49.6 -68.4 -40.6 58.0 121.0 -17.1 78 81 A G H 4 S+ 0 0 2 -5,-0.3 22,-2.3 -3,-0.2 -1,-0.2 0.748 118.2 41.1 -64.5 -25.4 61.3 120.0 -18.8 79 82 A L H < S+ 0 0 0 -4,-0.8 -1,-0.2 20,-0.2 -2,-0.2 0.816 122.2 37.2 -86.8 -41.7 61.7 117.2 -16.3 80 83 A L H < S+ 0 0 0 -4,-2.4 2,-0.4 2,-0.1 -2,-0.2 0.488 79.1 114.8 -97.9 -9.3 58.0 115.9 -16.1 81 84 A A < - 0 0 2 -4,-2.1 2,-1.1 -5,-0.1 63,-0.0 -0.518 63.9-137.1 -68.6 118.9 56.8 116.3 -19.7 82 85 A D > - 0 0 4 -2,-0.4 3,-2.2 1,-0.2 6,-0.4 -0.725 15.0-164.9 -78.3 99.2 56.0 112.7 -20.9 83 86 A L T 3 S+ 0 0 41 -2,-1.1 -1,-0.2 1,-0.3 6,-0.1 0.568 82.7 73.6 -69.9 -3.8 57.5 113.0 -24.4 84 87 A R T 3 S+ 0 0 135 1,-0.1 2,-0.5 5,-0.0 -1,-0.3 0.713 89.3 74.6 -74.3 -20.9 55.7 109.7 -25.4 85 88 A K S X> S- 0 0 83 -3,-2.2 4,-2.0 1,-0.1 3,-0.5 -0.867 73.7-153.1 -98.3 119.9 52.5 112.0 -25.4 86 89 A S H 3> S+ 0 0 100 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.801 97.9 58.3 -55.6 -36.6 52.2 114.4 -28.4 87 90 A E H 3> S+ 0 0 146 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.853 106.9 45.2 -61.8 -44.2 50.2 116.7 -26.0 88 91 A H H <> S+ 0 0 3 -3,-0.5 4,-1.9 -6,-0.4 -2,-0.2 0.933 113.2 49.2 -69.4 -45.9 53.1 117.0 -23.5 89 92 A A H X S+ 0 0 34 -4,-2.0 4,-1.4 -7,-0.4 -2,-0.2 0.902 113.3 47.9 -61.0 -39.4 55.7 117.6 -26.2 90 93 A A H X S+ 0 0 43 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.896 106.9 57.6 -68.6 -37.0 53.4 120.3 -27.8 91 94 A A H X S+ 0 0 13 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.890 103.8 51.7 -60.3 -40.7 52.9 121.9 -24.3 92 95 A L H X>S+ 0 0 8 -4,-1.9 5,-3.1 1,-0.2 4,-0.6 0.902 111.0 49.0 -61.3 -40.7 56.7 122.5 -23.9 93 96 A E H ><5S+ 0 0 158 -4,-1.4 3,-0.5 1,-0.2 -2,-0.2 0.857 108.5 51.9 -66.2 -40.3 56.6 124.1 -27.3 94 97 A Q H 3<5S+ 0 0 169 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.817 115.9 42.3 -64.8 -33.6 53.6 126.4 -26.3 95 98 A L H 3<5S- 0 0 21 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.495 110.7-120.0 -88.9 -8.9 55.6 127.4 -23.1 96 99 A G T <<5 + 0 0 63 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.2 0.812 68.2 141.4 68.8 30.0 59.0 127.8 -25.0 97 100 A I < - 0 0 6 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.3 -0.829 40.1-152.0-106.4 140.8 60.4 125.1 -22.6 98 101 A E - 0 0 118 -2,-0.3 -20,-0.1 -24,-0.2 2,-0.1 -0.825 22.9-108.3-107.6 153.1 62.8 122.4 -23.7 99 102 A A - 0 0 16 -2,-0.3 2,-0.5 -20,-0.1 -20,-0.2 -0.320 18.8-130.4 -78.3 161.2 63.1 118.9 -22.1 100 103 A F - 0 0 4 -22,-2.3 -90,-0.2 1,-0.1 3,-0.1 -0.974 19.0-178.9-109.9 123.2 66.0 117.6 -19.8 101 104 A E S S+ 0 0 27 -92,-1.8 45,-2.9 -2,-0.5 2,-0.4 0.715 75.0 41.3 -90.2 -26.8 67.4 114.2 -20.8 102 105 A L E -bd 10 146A 0 -93,-1.5 -91,-2.3 43,-0.2 2,-0.4 -0.982 60.3-175.6-127.6 135.6 69.9 114.2 -17.9 103 106 A V E -bd 11 147A 0 43,-2.4 45,-3.0 -2,-0.4 2,-0.6 -0.992 3.6-174.0-131.7 115.4 69.4 115.2 -14.2 104 107 A V E +bd 12 148A 1 -93,-3.1 -91,-2.4 -2,-0.4 2,-0.3 -0.957 22.3 150.0-116.6 105.5 72.4 115.1 -11.9 105 108 A V E -b 13 0A 2 43,-2.0 2,-0.3 -2,-0.6 -91,-0.2 -0.999 22.3-177.8-139.8 137.8 71.5 115.9 -8.3 106 109 A N E -b 14 0A 15 -93,-0.8 -91,-1.7 -2,-0.3 44,-0.1 -0.988 32.6-112.6-135.2 141.5 72.8 114.9 -4.9 107 110 A L - 0 0 14 -2,-0.3 -91,-0.2 42,-0.2 20,-0.1 -0.168 32.1 -82.4 -79.4 160.4 71.2 116.0 -1.6 108 111 A Y - 0 0 44 1,-0.1 2,-2.2 -93,-0.1 3,-0.3 -0.244 54.8-108.0 -51.7 140.2 72.1 118.3 1.3 109 112 A P > + 0 0 20 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 -0.417 61.2 153.2 -81.7 68.2 74.3 116.2 3.7 110 113 A F H > + 0 0 2 -2,-2.2 4,-2.4 16,-0.3 5,-0.1 0.934 69.1 46.4 -58.7 -55.7 71.6 115.8 6.4 111 114 A S H > S+ 0 0 66 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.848 116.1 47.1 -62.7 -31.7 72.7 112.5 8.0 112 115 A Q H > S+ 0 0 136 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.822 110.5 51.9 -71.9 -38.8 76.4 113.8 8.1 113 116 A T H <>S+ 0 0 23 -4,-2.0 5,-1.7 2,-0.2 -2,-0.2 0.908 112.7 46.5 -64.2 -42.7 75.3 117.2 9.6 114 117 A V H ><5S+ 0 0 45 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.950 111.7 50.0 -63.9 -52.8 73.4 115.2 12.3 115 118 A E H 3<5S+ 0 0 151 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.730 101.4 63.8 -57.7 -31.8 76.4 112.7 13.0 116 119 A S T 3<5S- 0 0 90 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.439 117.5-113.1 -73.2 -4.1 78.8 115.8 13.3 117 120 A G T < 5 + 0 0 66 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.768 57.1 169.3 74.4 26.8 76.7 116.8 16.4 118 121 A A < - 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0 0 78 22,-0.3 -25,-0.1 -2,-0.3 -2,-0.1 -0.163 47.2-105.7 -59.2 151.1 68.3 63.3 9.4 989 473 B F - 0 0 1 1,-0.2 29,-0.1 -4,-0.1 23,-0.1 -0.721 27.5-160.4 -73.0 113.1 69.5 60.8 12.1 990 474 B P S S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 24,-0.1 0.771 76.9 17.0 -69.6 -22.7 73.4 61.3 12.0 991 475 B F S >> S- 0 0 73 -3,-0.1 3,-0.7 26,-0.1 4,-0.6 -0.947 82.7-111.2-141.2 159.0 73.8 57.9 13.7 992 476 B P H >> S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 3,-0.5 0.786 102.4 79.7 -63.7 -28.6 71.6 54.8 14.3 993 477 B D H 3> S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.818 89.1 53.6 -48.1 -43.6 71.3 55.5 18.2 994 478 B G H <> S+ 0 0 1 -3,-0.7 4,-1.0 1,-0.2 -1,-0.2 0.914 114.9 40.2 -59.7 -43.3 68.6 58.2 17.8 995 479 B L H <>S+ 0 0 0 -4,-1.0 5,-1.9 -3,-0.4 3,-0.6 0.941 115.6 48.2 -72.2 -51.4 62.6 55.2 19.3 999 483 B A H ><5S+ 0 0 19 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.880 108.8 54.0 -57.9 -44.0 62.4 51.6 18.1 1000 484 B A H 3<5S+ 0 0 81 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.762 105.4 55.4 -63.3 -26.9 63.4 50.2 21.5 1001 485 B A T <<5S- 0 0 19 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.461 127.7 -98.5 -84.3 -6.3 60.5 52.2 23.1 1002 486 B G T < 5 + 0 0 11 -3,-1.5 -22,-3.1 -4,-0.3 2,-0.2 0.598 64.1 159.9 98.1 16.1 58.0 50.6 20.7 1003 487 B V < - 0 0 4 -5,-1.9 -1,-0.3 -24,-0.2 -21,-0.2 -0.544 21.3-165.8 -69.7 131.0 57.7 53.3 17.9 1004 488 B T + 0 0 62 -23,-2.4 24,-2.4 1,-0.3 2,-0.3 0.745 66.5 25.4 -91.5 -33.7 56.3 51.5 14.8 1005 489 B A E -kl 9821028F 1 -24,-0.7 -22,-2.1 22,-0.2 2,-0.4 -0.999 62.3-171.1-139.9 138.5 56.9 54.0 12.1 1006 490 B V E -kl 9831029F 0 22,-2.5 24,-2.5 -2,-0.3 2,-0.4 -0.985 4.3-164.5-131.0 139.4 59.5 56.9 11.7 1007 491 B V E +kl 9841030F 0 -24,-2.2 -22,-2.1 -2,-0.4 24,-0.2 -0.991 21.4 152.2-125.1 130.2 59.7 59.6 9.1 1008 492 B H E - l 01031F 0 22,-2.1 24,-2.1 -2,-0.4 25,-0.2 -0.945 51.5-107.7-148.3 165.1 62.9 61.7 8.7 1009 493 B P - 0 0 8 0, 0.0 24,-2.4 0, 0.0 22,-0.1 0.839 44.3-159.1 -65.9 -35.8 64.6 63.6 5.8 1010 494 B G + 0 0 8 22,-0.1 -22,-0.3 21,-0.1 22,-0.0 -0.235 42.6 132.3 75.1-173.4 67.5 61.2 5.1 1011 495 B G + 0 0 65 1,-0.4 2,-0.3 -24,-0.1 -1,-0.1 0.475 37.1 125.2 109.5 2.6 70.5 62.7 3.3 1012 496 B S > - 0 0 19 -23,-0.1 3,-1.6 1,-0.1 -1,-0.4 -0.668 67.6-129.5 -89.7 151.3 73.3 61.4 5.6 1013 497 B V T 3 S+ 0 0 150 1,-0.3 3,-0.4 -2,-0.3 4,-0.1 0.791 115.6 53.5 -67.2 -24.0 76.3 59.3 4.3 1014 498 B R T 3> S+ 0 0 112 1,-0.2 4,-1.6 -24,-0.1 -1,-0.3 0.138 72.2 113.4 -96.0 16.8 75.2 57.0 7.2 1015 499 B D H <> S+ 0 0 30 -3,-1.6 4,-2.9 1,-0.2 -1,-0.2 0.873 74.0 56.8 -53.4 -43.0 71.5 56.7 6.1 1016 500 B E H > S+ 0 0 150 -3,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.894 105.8 49.3 -57.7 -45.6 72.1 52.9 5.3 1017 501 B E H > S+ 0 0 80 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.841 113.2 47.1 -60.2 -40.9 73.2 52.2 8.9 1018 502 B V H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.925 114.0 47.2 -68.5 -44.9 70.1 54.1 10.2 1019 503 B T H X S+ 0 0 26 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.871 110.3 53.1 -63.3 -39.3 67.8 52.1 7.8 1020 504 B E H X S+ 0 0 120 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.852 107.7 51.5 -64.0 -36.9 69.6 48.8 8.8 1021 505 B A H X S+ 0 0 11 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.839 111.3 47.1 -68.0 -37.2 68.8 49.6 12.5 1022 506 B A H X>S+ 0 0 0 -4,-1.6 5,-3.0 2,-0.2 4,-0.6 0.871 111.9 51.0 -70.8 -39.4 65.1 50.3 11.6 1023 507 B A H ><5S+ 0 0 51 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.936 107.2 52.7 -61.6 -47.7 65.0 47.0 9.6 1024 508 B K H 3<5S+ 0 0 198 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.766 114.2 43.9 -59.4 -28.8 66.5 45.0 12.6 1025 509 B A H 3<5S- 0 0 56 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.491 112.7-119.2 -94.0 -8.0 63.7 46.5 14.8 1026 510 B G T <<5 + 0 0 62 -3,-1.4 2,-0.3 -4,-0.6 -3,-0.2 0.761 59.9 156.8 71.1 28.9 60.9 45.9 12.1 1027 511 B V < - 0 0 4 -5,-3.0 2,-0.4 -6,-0.1 -1,-0.3 -0.699 46.7-124.5 -90.1 135.3 60.2 49.6 12.0 1028 512 B T E - l 01005F 13 -24,-2.4 -22,-2.5 -2,-0.3 2,-0.5 -0.643 34.5-164.9 -73.3 127.9 58.6 51.2 8.9 1029 513 B L E -Hl 9181006F 0 -111,-2.6 -112,-2.3 -2,-0.4 -111,-1.1 -0.976 10.4-168.8-129.6 124.6 61.0 54.0 7.8 1030 514 B Y E -Hl 9161007F 24 -24,-2.5 -22,-2.1 -2,-0.5 2,-0.5 -0.872 8.5-156.5-109.3 141.3 60.3 56.9 5.4 1031 515 B L E -Hl 9151008F 31 -116,-2.5 -116,-2.8 -2,-0.4 -21,-0.1 -0.980 9.4-177.3-115.3 120.4 62.8 59.3 3.9 1032 516 B T - 0 0 7 -24,-2.1 -22,-0.1 -2,-0.5 -122,-0.1 0.732 27.1-138.9 -91.8 -30.3 61.3 62.6 2.8 1033 517 B G S S+ 0 0 71 -24,-2.4 2,-0.4 -25,-0.2 -125,-0.2 0.611 75.4 96.2 74.9 12.8 64.3 64.5 1.2 1034 518 B A - 0 0 6 -126,-0.3 2,-0.3 -127,-0.1 -2,-0.2 -0.998 57.7-159.2-135.1 138.3 63.0 67.7 3.0 1035 519 B R - 0 0 53 -2,-0.4 -808,-0.2 -3,-0.1 -48,-0.2 -0.863 10.2-161.2-120.2 153.7 64.2 69.1 6.3 1036 520 B H + 0 0 1 -50,-2.6 -49,-0.1 -2,-0.3 -50,-0.1 -0.433 17.3 173.1-134.3 62.8 62.6 71.6 8.8 1037 521 B F + 0 0 33 -813,-0.2 2,-0.3 -51,-0.1 -96,-0.1 -0.426 10.4 177.0 -61.3 140.9 65.3 73.1 11.0 1038 522 B A 0 0 10 -98,-0.1 -96,-3.0 -757,-0.1 -79,-0.1 -0.974 360.0 360.0-148.9 143.5 63.8 75.8 13.2 1039 523 B H 0 0 32 -2,-0.3 -757,-0.1 -98,-0.2 -758,-0.0 -0.808 360.0 360.0-142.3 360.0 65.3 78.0 16.0