==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-OCT-11 3UBO . COMPND 2 MOLECULE: ADENOSINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR Z.ZHANG,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR,J . 665 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 498 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 7.1 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 51 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.1 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 2 4 2 0 2 1 2 5 3 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 4 2 5 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 PARALLEL BRIDGES PER LADDER . 3 0 0 3 2 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 . 0 0 0 1 0 1 0 1 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 2 A A 0 0 76 0, 0.0 148,-0.2 0, 0.0 147,-0.1 0.000 360.0 360.0 360.0 127.5 75.3 15.5 15.5 2 3 A K + 0 0 117 146,-1.6 2,-0.4 1,-0.2 147,-0.2 0.625 360.0 43.0-103.4 -18.0 78.2 12.9 15.3 3 4 A Y E -a 149 0A 22 145,-3.1 147,-2.8 1,-0.2 71,-0.2 -0.987 51.9-161.3-131.8 139.0 76.5 10.1 13.3 4 5 A D E S+ 0 0 13 69,-1.9 147,-2.6 -2,-0.4 2,-0.4 0.912 87.1 24.7 -75.0 -53.2 74.3 10.2 10.2 5 6 A V E -ab 151 74A 0 68,-2.4 70,-2.1 145,-0.2 2,-0.5 -0.958 56.3-176.1-130.1 133.0 73.1 6.7 11.0 6 7 A L E -ab 152 75A 0 145,-2.2 147,-4.3 -2,-0.4 2,-0.4 -0.946 16.1-163.8-109.2 127.1 72.8 4.4 14.0 7 8 A T E -ab 153 76A 0 68,-3.3 70,-2.1 -2,-0.5 2,-0.4 -0.925 9.0-169.7-116.1 143.6 71.6 0.9 13.6 8 9 A I E +ab 154 77A 2 145,-2.5 147,-1.5 -2,-0.4 2,-0.3 -1.000 32.2 121.8-128.2 126.1 70.3 -1.6 16.1 9 10 A G - 0 0 0 68,-1.5 70,-0.4 -2,-0.4 2,-0.4 -0.981 64.6 -57.6-173.1 164.7 69.8 -5.2 15.2 10 11 A N - 0 0 3 -2,-0.3 2,-0.7 68,-0.1 51,-0.3 -0.442 50.9-130.8 -59.1 115.7 70.6 -8.9 15.8 11 12 A A + 0 0 0 -2,-0.4 101,-0.5 68,-0.2 2,-0.4 -0.609 41.1 173.5 -74.5 115.6 74.4 -9.3 15.5 12 13 A I - 0 0 14 -2,-0.7 45,-2.8 45,-0.2 2,-0.5 -0.966 31.8-148.5-133.9 130.9 74.7 -12.3 13.2 13 14 A V E -Gh 56 113B 1 99,-1.8 101,-2.4 -2,-0.4 2,-0.5 -0.917 26.7-136.8 -98.1 131.7 77.5 -14.2 11.5 14 15 A D E -Gh 55 114B 9 41,-2.3 41,-2.6 -2,-0.5 2,-0.6 -0.779 15.8-168.7 -93.7 127.8 76.5 -15.7 8.1 15 16 A I E -Gh 54 115B 5 99,-3.1 101,-3.3 -2,-0.5 2,-0.4 -0.971 24.6-173.9-115.8 116.8 77.5 -19.2 7.0 16 17 A I E +Gh 53 116B 3 37,-2.7 37,-1.9 -2,-0.6 2,-0.3 -0.912 18.1 150.8-124.8 141.1 76.6 -19.4 3.5 17 18 A A E - h 0 117B 11 99,-2.0 101,-1.8 -2,-0.4 2,-0.2 -0.981 40.0-102.5-159.5 160.1 76.6 -22.1 0.7 18 19 A R E + h 0 118B 116 -2,-0.3 32,-0.3 33,-0.3 2,-0.3 -0.476 40.9 160.5 -79.6 149.7 74.7 -23.0 -2.5 19 20 A C - 0 0 26 99,-1.7 101,-0.2 -2,-0.2 2,-0.1 -0.916 32.6-108.1-156.9-179.7 72.1 -25.8 -2.6 20 21 A D > - 0 0 95 -2,-0.3 4,-0.8 99,-0.1 3,-0.1 -0.451 37.4 -93.9-112.3-176.3 69.2 -26.8 -4.9 21 22 A D H >> S+ 0 0 81 1,-0.2 3,-1.5 2,-0.2 4,-1.4 0.973 119.7 56.3 -66.8 -50.8 65.4 -26.6 -4.5 22 23 A S H 3> S+ 0 0 44 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.815 98.7 63.8 -49.0 -34.2 64.9 -30.1 -3.3 23 24 A F H 3> S+ 0 0 30 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.905 102.7 48.4 -56.2 -40.1 67.4 -29.4 -0.4 24 25 A L H <<>S+ 0 0 6 -3,-1.5 5,-2.6 -4,-0.8 -1,-0.2 0.899 114.4 43.5 -74.2 -36.9 65.0 -26.8 1.0 25 26 A E H ><5S+ 0 0 153 -4,-1.4 3,-2.0 3,-0.2 -2,-0.2 0.944 110.4 56.2 -71.8 -44.2 61.9 -29.0 0.8 26 27 A E H 3<5S+ 0 0 154 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.824 115.3 39.2 -54.6 -30.7 63.8 -32.0 2.2 27 28 A N T 3<5S- 0 0 16 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.202 109.6-119.8-104.5 15.6 64.7 -29.9 5.2 28 29 A G T < 5 + 0 0 61 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.864 59.0 154.7 51.9 37.6 61.5 -28.1 5.7 29 30 A I < - 0 0 12 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.2 -0.806 46.3-120.6 -94.0 139.9 63.2 -24.7 5.2 30 31 A I > - 0 0 75 -2,-0.4 3,-0.8 96,-0.2 2,-0.3 -0.663 27.0-123.4 -82.2 123.0 61.1 -21.8 3.8 31 32 A K T 3 S+ 0 0 83 -2,-0.5 94,-0.2 1,-0.2 3,-0.1 -0.528 91.9 4.7 -66.5 129.2 62.4 -20.5 0.6 32 33 A G T 3 S+ 0 0 22 -2,-0.3 -1,-0.2 1,-0.3 93,-0.1 0.044 110.6 102.6 95.1 -24.6 63.1 -16.8 0.9 33 34 A A S < S- 0 0 3 -3,-0.8 93,-2.8 155,-0.1 2,-0.6 -0.142 76.0-109.1 -88.8 177.2 62.3 -16.5 4.5 34 35 A X E -i 126 0B 14 91,-0.2 2,-0.4 -3,-0.1 93,-0.2 -0.965 35.1-157.1-107.9 117.3 64.2 -16.2 7.7 35 36 A N E -i 127 0B 16 91,-3.4 93,-3.8 -2,-0.6 2,-0.5 -0.824 7.0-140.0 -98.7 132.4 63.8 -19.4 9.6 36 37 A L E +i 128 0B 74 -2,-0.4 2,-0.3 91,-0.2 93,-0.2 -0.798 28.5 174.5 -98.1 130.1 64.3 -19.4 13.4 37 38 A I - 0 0 13 91,-2.6 93,-0.4 -2,-0.5 90,-0.0 -0.964 28.5-122.6-137.0 147.2 66.1 -22.4 14.8 38 39 A N > - 0 0 94 -2,-0.3 4,-1.5 91,-0.1 5,-0.1 -0.195 45.7 -94.1 -74.4-179.5 67.5 -23.6 18.1 39 40 A A H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.739 124.1 56.0 -69.2 -29.4 71.1 -24.5 18.5 40 41 A D H > S+ 0 0 117 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.853 107.9 48.8 -70.7 -43.2 70.5 -28.2 17.8 41 42 A R H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.816 108.3 54.7 -65.6 -29.9 68.9 -27.3 14.5 42 43 A A H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.952 112.0 43.7 -71.4 -42.4 71.9 -25.0 13.7 43 44 A E H X S+ 0 0 133 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.936 115.8 47.6 -61.5 -45.3 74.2 -28.0 14.3 44 45 A L H X S+ 0 0 68 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.952 113.6 46.6 -63.3 -50.5 72.0 -30.4 12.3 45 46 A L H < S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.894 110.2 55.3 -56.6 -41.1 71.6 -28.0 9.3 46 47 A Y H >< S+ 0 0 14 -4,-2.1 3,-1.5 -5,-0.3 -1,-0.2 0.908 103.9 52.7 -60.2 -41.3 75.3 -27.3 9.3 47 48 A S H 3< S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.916 110.2 48.5 -66.4 -42.8 76.2 -31.0 9.0 48 49 A R T 3< S+ 0 0 135 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.3 0.421 96.9 98.0 -72.4 3.7 73.9 -31.4 6.0 49 50 A X S < S- 0 0 4 -3,-1.5 3,-0.1 -4,-0.3 -30,-0.1 -0.711 73.4-123.0 -98.9 144.2 75.4 -28.3 4.4 50 51 A G - 0 0 31 -32,-0.3 385,-0.1 -2,-0.3 -1,-0.1 -0.038 61.1 -53.2 -62.4 178.0 78.2 -28.2 1.7 51 52 A P S S- 0 0 48 0, 0.0 -33,-0.3 0, 0.0 2,-0.2 -0.289 71.3-156.7 -52.6 138.8 81.4 -26.3 2.4 52 53 A A - 0 0 11 375,-0.2 2,-0.4 -3,-0.1 343,-0.4 -0.625 17.4-134.3-120.8 176.6 80.4 -22.8 3.4 53 54 A V E -G 16 0B 14 -37,-1.9 -37,-2.7 -2,-0.2 2,-0.4 -0.976 23.1-139.5-129.1 132.8 81.9 -19.3 3.4 54 55 A E E +GJ 15 393B 3 339,-2.8 339,-3.5 -2,-0.4 2,-0.3 -0.861 27.7 161.6-106.7 136.9 81.5 -17.1 6.5 55 56 A A E -G 14 0B 6 -41,-2.6 -41,-2.3 -2,-0.4 337,-0.1 -0.951 43.1-101.0-146.6 129.8 80.7 -13.4 6.4 56 57 A S E +G 13 0B 3 335,-0.4 -43,-0.2 -2,-0.3 258,-0.1 -0.181 53.7 152.5 -45.0 134.8 79.4 -10.9 9.0 57 58 A G + 0 0 0 -45,-2.8 -45,-0.2 255,-0.1 -1,-0.1 -0.137 17.2 151.7-130.3-126.7 75.7 -10.2 8.5 58 59 A G > - 0 0 4 -47,-0.2 4,-1.8 3,-0.1 3,-0.2 0.690 55.2-114.7 80.5 111.8 72.8 -9.1 10.7 59 60 A S H >> S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 3,-1.0 0.905 115.8 36.9 -37.5 -64.8 70.2 -7.1 8.7 60 61 A A H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.819 113.1 59.1 -57.0 -33.0 70.8 -3.8 10.6 61 62 A G H 3> S+ 0 0 0 -51,-0.3 4,-1.6 -3,-0.2 -1,-0.2 0.814 106.0 49.0 -70.5 -24.0 74.6 -4.5 10.9 62 63 A N H S+ 0 0 0 -4,-2.0 5,-1.2 2,-0.2 4,-1.0 0.959 114.2 51.3 -48.8 -64.6 76.3 3.8 5.2 68 69 A A H ><5S+ 0 0 18 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.897 112.6 48.3 -38.8 -47.5 80.0 3.9 6.3 69 70 A S H 3<5S+ 0 0 7 -4,-2.0 251,-1.9 1,-0.2 252,-0.3 0.945 105.8 56.2 -63.6 -49.7 80.9 2.4 2.8 70 71 A L H 3<5S- 0 0 14 -4,-3.0 -1,-0.2 249,-0.2 -2,-0.2 0.647 130.6 -94.4 -54.1 -13.8 78.8 5.0 1.0 71 72 A G T <<5S+ 0 0 51 -4,-1.0 -3,-0.2 -3,-0.7 -1,-0.1 0.041 86.7 121.7 119.9 -26.9 80.8 7.7 2.8 72 73 A G < - 0 0 13 -5,-1.2 2,-0.5 -6,-0.1 -1,-0.3 0.192 64.9-106.4 -61.7 174.6 78.5 8.4 5.8 73 74 A R + 0 0 106 212,-0.1 -68,-2.4 25,-0.0 -69,-1.9 -0.949 45.9 173.4-111.1 127.4 79.2 8.2 9.5 74 75 A A E -b 5 0A 2 -2,-0.5 25,-1.8 23,-0.3 2,-0.3 -0.873 20.4-166.6-136.9 161.7 77.5 5.3 11.3 75 76 A A E -bc 6 99A 0 -70,-2.1 -68,-3.3 -2,-0.3 2,-0.4 -0.982 10.1-157.6-152.6 153.7 77.3 3.4 14.6 76 77 A Y E -bc 7 100A 0 23,-3.1 25,-0.5 -2,-0.3 26,-0.5 -0.983 11.6-160.9-143.3 139.9 75.9 0.0 15.7 77 78 A F E +b 8 0A 1 -70,-2.1 -68,-1.5 -2,-0.4 2,-0.3 -0.995 30.6 153.2-120.8 124.7 74.6 -1.7 18.7 78 79 A G - 0 0 0 -2,-0.5 2,-0.6 -70,-0.2 -68,-0.1 -0.937 42.1-113.6-145.2 166.2 74.5 -5.5 18.7 79 80 A K + 0 0 10 -70,-0.4 33,-0.5 -2,-0.3 54,-0.5 -0.909 44.4 152.8-108.6 116.5 74.6 -8.6 20.9 80 81 A V - 0 0 0 -2,-0.6 25,-2.5 23,-0.3 2,-0.1 -0.967 36.8-116.2-140.5 155.6 77.7 -10.9 20.6 81 82 A A - 0 0 2 -2,-0.3 27,-0.1 23,-0.3 5,-0.1 -0.382 34.2-105.0 -90.4 165.2 79.6 -13.3 22.8 82 83 A D S S+ 0 0 110 25,-0.2 -1,-0.1 -2,-0.1 26,-0.1 0.109 89.2 108.2 -74.7 25.2 83.2 -13.0 24.0 83 84 A D S > S- 0 0 33 24,-0.1 4,-1.8 1,-0.0 5,-0.1 -0.150 88.2 -91.0-103.4-171.2 84.0 -15.8 21.4 84 85 A Q H > S+ 0 0 27 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.823 123.8 51.8 -76.1 -30.4 85.8 -16.2 18.0 85 86 A L H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.912 112.8 45.0 -70.2 -41.8 82.6 -15.5 16.0 86 87 A G H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.781 108.4 56.6 -73.3 -27.9 82.0 -12.3 18.0 87 88 A E H X S+ 0 0 89 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.756 110.8 44.9 -76.2 -21.0 85.5 -11.1 17.7 88 89 A I H X S+ 0 0 12 -4,-0.8 4,-2.6 -3,-0.3 -2,-0.2 0.859 111.7 51.0 -85.8 -43.0 85.3 -11.4 14.0 89 90 A F H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.948 111.3 49.9 -60.4 -47.8 81.9 -9.7 13.8 90 91 A T H X S+ 0 0 27 -4,-2.3 4,-2.3 1,-0.3 5,-0.2 0.913 112.2 46.2 -53.3 -57.2 83.3 -6.9 15.9 91 92 A H H X S+ 0 0 13 -4,-1.5 4,-2.8 2,-0.2 -1,-0.3 0.863 110.3 54.4 -58.1 -37.3 86.3 -6.4 13.7 92 93 A D H X S+ 0 0 2 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.957 111.4 41.9 -71.5 -49.3 84.2 -6.5 10.6 93 94 A I H <>S+ 0 0 0 -4,-2.7 5,-1.5 1,-0.2 4,-0.4 0.877 117.2 50.0 -61.7 -36.9 81.9 -3.8 11.5 94 95 A R H ><5S+ 0 0 107 -4,-2.3 3,-2.0 -5,-0.2 -2,-0.2 0.904 103.0 57.2 -64.8 -41.3 84.8 -1.7 13.0 95 96 A A H 3<5S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.746 97.7 64.2 -69.5 -15.0 86.9 -2.0 9.9 96 97 A Q T 3<5S- 0 0 22 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.794 122.5-110.5 -65.2 -25.2 84.0 -0.5 8.0 97 98 A G T < 5S+ 0 0 60 -3,-2.0 -23,-0.3 -4,-0.4 -3,-0.2 0.424 72.4 143.6 97.9 8.7 84.7 2.6 10.2 98 99 A V < - 0 0 8 -5,-1.5 2,-0.6 -25,-0.1 -1,-0.4 -0.476 57.0-113.9 -77.0 151.5 81.4 2.1 12.2 99 100 A H E +c 75 0A 49 -25,-1.8 -23,-3.1 -2,-0.1 2,-0.3 -0.815 43.6 166.8 -89.8 118.2 81.3 2.9 15.9 100 101 A F E +c 76 0A 2 -2,-0.6 -23,-0.1 -25,-0.2 -6,-0.0 -0.915 16.5 140.2-141.0 109.4 80.8 -0.4 17.8 101 102 A Q + 0 0 106 -25,-0.5 -24,-0.1 -2,-0.3 -1,-0.1 0.516 23.8 138.1-131.8 -20.3 81.3 -0.4 21.6 102 103 A T - 0 0 9 -26,-0.5 38,-0.1 1,-0.1 39,-0.0 0.059 60.5-107.4 -30.5 132.9 78.5 -2.6 22.8 103 104 A K - 0 0 155 1,-0.1 -23,-0.3 2,-0.0 2,-0.2 -0.526 31.3-126.4 -77.4 133.5 79.7 -5.1 25.6 104 105 A P - 0 0 47 0, 0.0 -23,-0.3 0, 0.0 -22,-0.1 -0.573 20.0-112.2 -84.1 154.9 80.1 -8.7 24.6 105 106 A L - 0 0 37 -25,-2.5 -24,-0.2 -2,-0.2 3,-0.1 0.748 30.1-132.7 -47.4 -50.8 78.4 -11.6 26.6 106 107 A D S S- 0 0 111 -26,-0.1 -25,-0.1 1,-0.1 -1,-0.1 0.875 71.9 -20.3 80.8 77.9 81.2 -13.6 28.3 107 108 A G S S+ 0 0 42 2,-0.0 -25,-0.2 0, 0.0 -24,-0.1 -0.256 101.9 51.8 77.8-168.6 80.3 -17.2 27.4 108 109 A H S S+ 0 0 164 -27,-0.1 3,-0.0 -3,-0.1 -26,-0.0 0.003 87.6 49.1 -57.6 146.6 77.0 -18.8 26.4 109 110 A P S S- 0 0 31 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 0.574 89.0-142.1 -62.2 157.3 75.0 -18.1 24.4 110 111 A P - 0 0 23 0, 0.0 22,-2.4 0, 0.0 23,-0.2 -0.424 42.6 -59.5 -84.1 172.8 77.7 -17.9 21.7 111 112 A T - 0 0 0 20,-0.2 20,-0.2 21,-0.1 -31,-0.1 -0.123 66.2-101.8 -51.1 133.5 77.5 -15.4 18.9 112 113 A A - 0 0 0 -33,-0.5 -99,-1.8 -101,-0.5 2,-0.3 -0.227 44.0-171.7 -58.7 151.2 74.4 -15.6 16.8 113 114 A R E -hK 13 129B 35 16,-1.8 16,-2.7 -101,-0.2 2,-0.4 -0.989 14.7-148.5-146.6 152.8 74.7 -17.3 13.4 114 115 A S E -hK 14 128B 2 -101,-2.4 -99,-3.1 -2,-0.3 2,-1.0 -0.989 11.6-142.5-132.5 129.6 72.6 -17.9 10.4 115 116 A X E -hK 15 127B 1 12,-3.6 2,-0.7 -2,-0.4 12,-0.6 -0.808 27.5-166.5 -88.4 103.7 72.7 -20.9 8.0 116 117 A I E -hK 16 126B 0 -101,-3.3 -99,-2.0 -2,-1.0 2,-0.6 -0.865 9.2-168.2-107.0 113.8 72.2 -19.2 4.6 117 118 A F E -hK 17 125B 2 8,-2.4 8,-1.9 -2,-0.7 2,-0.5 -0.858 6.7-159.7 -99.7 113.1 71.3 -21.4 1.6 118 119 A V E -hK 18 124B 0 -101,-1.8 -99,-1.7 -2,-0.6 6,-0.2 -0.757 7.6-152.3 -93.6 125.0 71.4 -19.7 -1.8 119 120 A T > - 0 0 0 4,-1.9 3,-1.8 -2,-0.5 -99,-0.1 -0.287 35.7 -94.0 -88.5 179.9 69.6 -21.2 -4.7 120 121 A E T 3 S+ 0 0 95 1,-0.3 149,-0.1 -101,-0.2 -1,-0.1 0.875 123.2 59.6 -64.4 -29.6 70.4 -21.0 -8.4 121 122 A D T 3 S- 0 0 80 1,-0.1 -1,-0.3 150,-0.0 3,-0.1 0.447 118.3-108.3 -78.9 -3.2 68.0 -18.0 -8.7 122 123 A G S < S+ 0 0 0 -3,-1.8 150,-2.9 1,-0.3 151,-0.3 0.431 75.2 140.4 90.6 -2.2 69.9 -15.9 -6.2 123 124 A E - 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0 0 8 0, 0.0 4,-0.2 0, 0.0 -8,-0.1 -0.165 17.7-157.4 -59.4 127.8 86.5 -23.7 -5.5 655 317 B L S S+ 0 0 97 -4,-0.1 -637,-0.1 2,-0.1 3,-0.1 0.918 76.7 73.9 -53.7 -49.0 82.8 -23.0 -4.8 656 318 B V S S- 0 0 80 1,-0.1 2,-0.6 -11,-0.1 3,-0.1 -0.184 98.9 -95.5 -69.7 155.9 81.9 -25.0 -8.0 657 319 B S > - 0 0 62 1,-0.2 4,-1.8 2,-0.1 -1,-0.1 -0.619 29.9-160.4 -70.4 120.6 82.0 -28.8 -8.4 658 320 B L H > S+ 0 0 1 -2,-0.6 4,-2.6 2,-0.2 -249,-0.3 0.816 88.8 62.7 -71.0 -28.9 85.3 -29.6 -10.0 659 321 B A H > S+ 0 0 36 -251,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.914 106.8 49.3 -63.2 -35.9 84.2 -33.1 -11.2 660 322 B T H > S+ 0 0 67 2,-0.2 4,-3.1 -252,-0.2 5,-0.2 0.955 109.7 47.1 -63.3 -54.3 81.7 -31.0 -13.3 661 323 B A H X S+ 0 0 17 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.831 113.4 50.5 -62.0 -32.6 84.3 -28.6 -14.7 662 324 B A H < S+ 0 0 17 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.935 114.0 43.4 -68.6 -48.3 86.6 -31.5 -15.6 663 325 B R H >< S+ 0 0 105 -4,-2.5 3,-1.2 -5,-0.2 -2,-0.2 0.910 113.0 53.0 -56.1 -47.3 83.7 -33.4 -17.4 664 326 B Q H 3< S+ 0 0 164 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.799 112.8 43.8 -63.3 -31.4 82.5 -30.2 -19.1 665 327 B A T 3< 0 0 69 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.511 360.0 360.0 -86.7 -2.5 86.0 -29.5 -20.5 666 328 B A < 0 0 127 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.1 -0.303 360.0 360.0 46.3 360.0 86.4 -33.2 -21.4