==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-05 2BNE . COMPND 2 MOLECULE: URIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.BRIOZZO,C.EVRIN,P.MEYER,L.ASSAIRI,N.JOLY,O.BARZU, . 472 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.5 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 . 1 0.2 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 . 2 0.4 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 . 41 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.2 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 0 4 1 0 4 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 6 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 A 0 0 137 0, 0.0 224,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 89.8 92.9 57.9 -36.6 2 6 A K - 0 0 178 1,-0.1 41,-0.0 223,-0.0 0, 0.0 -0.586 360.0 -82.1-100.1 163.7 91.4 55.3 -34.3 3 7 A P - 0 0 40 0, 0.0 222,-0.3 0, 0.0 -1,-0.1 -0.226 27.0-140.9 -64.5 159.0 91.4 55.3 -30.4 4 8 A V S S+ 0 0 85 220,-3.6 2,-0.3 219,-0.1 221,-0.1 0.529 80.7 54.4 -97.3 -9.7 94.5 54.0 -28.6 5 9 A Y - 0 0 30 219,-0.6 3,-0.1 1,-0.1 149,-0.0 -0.935 52.1-169.8-127.0 150.2 92.7 52.2 -25.7 6 10 A K S S+ 0 0 163 1,-0.4 40,-3.9 -2,-0.3 2,-0.4 0.789 82.3 19.2-102.6 -45.5 90.0 49.5 -25.8 7 11 A R E S+a 46 0A 34 38,-0.2 148,-3.6 146,-0.1 149,-0.6 -0.997 73.0 178.3-129.8 132.8 88.9 49.5 -22.1 8 12 A I E -ab 47 156A 0 38,-2.5 40,-2.2 -2,-0.4 2,-0.6 -0.890 28.7-135.5-131.9 160.6 89.6 52.3 -19.7 9 13 A L E -ab 48 157A 0 147,-2.3 149,-2.3 -2,-0.3 2,-0.5 -0.927 25.3-157.9-118.1 102.0 88.9 53.0 -16.0 10 14 A L E -ab 49 158A 0 38,-3.5 40,-2.9 -2,-0.6 2,-0.7 -0.708 2.7-159.6 -83.6 123.2 87.8 56.7 -15.9 11 15 A K E -ab 50 159A 10 147,-3.2 149,-2.5 -2,-0.5 2,-0.6 -0.914 5.6-169.4-109.8 110.9 88.3 58.2 -12.5 12 16 A L E -ab 51 160A 1 38,-2.1 40,-2.5 -2,-0.7 2,-0.1 -0.888 16.6-139.0-100.8 119.5 86.1 61.2 -11.8 13 17 A S > - 0 0 10 147,-0.9 3,-1.0 -2,-0.6 4,-0.3 -0.486 19.5-122.0 -72.7 148.5 87.0 63.1 -8.7 14 18 A G G > S+ 0 0 1 1,-0.2 3,-1.6 2,-0.2 -1,-0.1 0.835 108.6 61.9 -62.9 -33.3 84.0 64.3 -6.8 15 19 A E G > S+ 0 0 58 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.749 89.1 72.2 -65.9 -21.3 85.0 68.0 -6.9 16 20 A A G < S+ 0 0 4 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.707 94.5 53.7 -66.6 -19.2 84.8 67.8 -10.7 17 21 A L G < S+ 0 0 1 -3,-1.6 9,-3.5 -4,-0.3 -1,-0.3 0.339 87.0 109.8 -97.3 6.2 81.0 67.7 -10.4 18 22 A Q < - 0 0 37 -3,-1.6 6,-0.1 7,-0.2 7,-0.1 -0.562 59.4-138.5 -85.1 146.9 80.7 70.8 -8.2 19 23 A G > - 0 0 27 4,-1.0 3,-0.6 -2,-0.2 -1,-0.1 0.173 48.6 -70.9 -80.4-154.8 79.2 74.1 -9.5 20 24 A T T 3 S+ 0 0 147 1,-0.2 -2,-0.1 2,-0.1 -1,-0.0 0.892 131.1 64.0 -68.5 -39.6 80.6 77.5 -8.7 21 25 A E T 3 S- 0 0 157 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.710 107.3-127.9 -56.9 -22.0 79.5 77.3 -5.1 22 26 A G S < S+ 0 0 36 -3,-0.6 2,-0.3 1,-0.3 -2,-0.1 0.868 74.6 84.0 74.6 37.2 81.9 74.4 -4.8 23 27 A F S S+ 0 0 87 -6,-0.1 -4,-1.0 -8,-0.0 -1,-0.3 -0.956 73.1 12.7-157.9 169.9 79.4 72.0 -3.3 24 28 A G S S- 0 0 2 31,-0.9 2,-0.4 -2,-0.3 -7,-0.1 -0.062 97.3 -49.9 54.6-155.1 76.7 69.5 -4.3 25 29 A I - 0 0 30 -7,-0.1 2,-0.7 -3,-0.0 -7,-0.2 -0.954 43.4-143.2-121.1 136.9 76.3 68.4 -7.9 26 30 A D >> - 0 0 47 -9,-3.5 4,-1.7 -2,-0.4 3,-1.0 -0.857 4.2-153.5-104.8 108.3 76.2 70.6 -10.9 27 31 A A H 3> S+ 0 0 32 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.853 91.3 57.6 -39.5 -54.9 73.8 69.5 -13.7 28 32 A S H 3> S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.845 107.2 46.4 -50.4 -44.3 75.7 71.2 -16.5 29 33 A I H <> S+ 0 0 21 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.916 113.6 48.7 -66.3 -44.3 79.0 69.4 -15.8 30 34 A L H X S+ 0 0 3 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.913 110.5 52.0 -60.8 -44.4 77.3 66.0 -15.5 31 35 A D H X S+ 0 0 60 -4,-3.0 4,-1.1 -5,-0.2 -1,-0.2 0.847 110.8 47.3 -62.4 -36.0 75.5 66.7 -18.8 32 36 A R H X S+ 0 0 67 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.900 109.8 52.2 -73.4 -41.1 78.7 67.5 -20.6 33 37 A M H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.884 105.3 56.4 -60.8 -38.9 80.5 64.5 -19.2 34 38 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.883 108.0 48.5 -60.6 -38.2 77.7 62.3 -20.4 35 39 A Q H X S+ 0 0 108 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.892 113.0 46.7 -68.8 -40.3 78.3 63.7 -23.9 36 40 A E H X S+ 0 0 20 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.883 115.1 45.2 -70.4 -38.5 82.0 63.1 -23.7 37 41 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.895 108.2 59.4 -71.0 -37.1 81.6 59.5 -22.4 38 42 A K H X S+ 0 0 48 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.926 103.6 51.8 -54.1 -46.3 78.9 59.0 -25.1 39 43 A E H X S+ 0 0 61 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.888 107.9 50.8 -59.7 -41.0 81.5 59.7 -27.7 40 44 A L H <>S+ 0 0 0 -4,-1.4 5,-2.4 2,-0.2 -1,-0.2 0.933 108.6 51.7 -64.3 -44.7 83.9 57.2 -26.3 41 45 A V H ><5S+ 0 0 32 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.911 110.4 48.3 -57.2 -44.7 81.2 54.5 -26.2 42 46 A E H 3<5S+ 0 0 137 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.814 104.1 61.0 -65.0 -31.0 80.4 55.2 -29.9 43 47 A L T 3<5S- 0 0 52 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.421 123.6-107.8 -76.4 3.9 84.2 55.0 -30.6 44 48 A G T < 5S+ 0 0 43 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.508 72.1 145.2 83.6 4.7 84.0 51.5 -29.4 45 49 A I < - 0 0 2 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.3 -0.641 46.5-135.5 -81.6 127.1 85.9 52.3 -26.1 46 50 A Q E -a 7 0A 38 -40,-3.9 -38,-2.5 -2,-0.4 2,-0.5 -0.701 25.2-155.4 -83.1 127.5 84.7 50.2 -23.1 47 51 A V E -a 8 0A 1 -2,-0.5 81,-2.2 -40,-0.2 2,-0.4 -0.910 21.4-179.5-119.0 124.6 84.3 52.5 -20.1 48 52 A G E -ac 9 128A 1 -40,-2.2 -38,-3.5 -2,-0.5 2,-0.5 -0.932 18.7-158.2-110.6 135.8 84.5 51.8 -16.4 49 53 A V E -ac 10 129A 0 79,-3.3 81,-3.7 -2,-0.4 2,-0.6 -0.963 12.8-169.7-124.8 122.0 83.9 54.8 -14.2 50 54 A V E -ac 11 130A 0 -40,-2.9 -38,-2.1 -2,-0.5 2,-0.4 -0.935 20.1-158.5-105.7 120.2 85.0 55.1 -10.6 51 55 A I E -a 12 0A 0 79,-1.3 82,-0.4 -2,-0.6 81,-0.2 -0.788 5.2-136.8-107.1 144.8 83.5 58.2 -9.1 52 56 A G - 0 0 1 -40,-2.5 31,-0.2 -2,-0.4 32,-0.1 -0.087 5.3-158.5 -82.4-174.7 84.6 60.3 -6.1 53 57 A G >> + 0 0 6 4,-0.1 3,-2.8 30,-0.1 4,-1.8 0.369 58.7 109.9-144.8 -4.8 82.5 61.7 -3.3 54 58 A G T 34 + 0 0 16 1,-0.3 4,-0.1 2,-0.2 -41,-0.0 0.551 68.5 73.0 -55.8 -8.7 84.6 64.5 -1.8 55 59 A N T 34 S+ 0 0 3 2,-0.1 -31,-0.9 -32,-0.1 -1,-0.3 0.485 117.1 19.3 -83.2 -3.2 82.2 67.1 -3.3 56 60 A L T <4 S- 0 0 17 -3,-2.8 2,-0.3 1,-0.3 -2,-0.2 0.588 133.1 -0.0-127.0 -60.0 79.8 66.0 -0.6 57 61 A F < - 0 0 17 -4,-1.8 2,-0.5 19,-0.2 -1,-0.3 -0.998 43.5-167.1-144.3 142.6 81.7 64.2 2.2 58 62 A R > - 0 0 128 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.994 19.2-146.1-125.0 120.3 85.2 63.2 3.2 59 63 A G H > S+ 0 0 5 -2,-0.5 4,-2.7 1,-0.2 3,-0.2 0.933 100.7 52.0 -50.2 -52.9 85.5 60.7 6.1 60 64 A A H > S+ 0 0 43 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.908 109.6 50.9 -51.1 -45.9 88.7 62.2 7.3 61 65 A G H > S+ 0 0 45 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.879 110.9 47.3 -60.9 -40.0 87.0 65.6 7.3 62 66 A L H <>S+ 0 0 27 -4,-2.2 5,-1.8 -3,-0.2 -1,-0.2 0.852 108.2 56.9 -70.4 -33.8 84.1 64.3 9.3 63 67 A A H ><5S+ 0 0 29 -4,-2.7 3,-2.5 1,-0.2 -2,-0.2 0.921 101.0 55.2 -63.5 -45.5 86.4 62.6 11.8 64 68 A K H 3<5S+ 0 0 190 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.863 102.5 58.2 -56.4 -34.5 88.2 65.8 12.6 65 69 A A T 3<5S- 0 0 59 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.571 133.6 -92.3 -72.7 -7.3 84.8 67.3 13.5 66 70 A G T < 5S+ 0 0 39 -3,-2.5 -3,-0.2 1,-0.3 -2,-0.1 0.206 82.2 131.8 119.4 -16.0 84.5 64.4 16.0 67 71 A M < - 0 0 19 -5,-1.8 -1,-0.3 1,-0.1 2,-0.2 -0.296 69.7 -92.7 -70.2 152.2 82.7 61.6 14.2 68 72 A N > - 0 0 76 1,-0.2 4,-2.3 2,-0.0 3,-0.3 -0.485 35.7-130.5 -63.7 130.4 84.0 58.0 14.2 69 73 A R H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.864 104.1 55.0 -52.7 -41.7 86.2 57.7 11.2 70 74 A V H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.930 110.5 44.6 -61.3 -44.2 84.6 54.5 10.0 71 75 A V H > S+ 0 0 9 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.858 111.8 54.5 -67.2 -34.1 81.1 56.1 10.0 72 76 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.910 109.4 47.0 -64.5 -41.4 82.6 59.1 8.3 73 77 A D H X S+ 0 0 15 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.831 108.5 55.2 -69.6 -32.6 84.1 56.9 5.6 74 78 A H H X S+ 0 0 32 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.905 109.0 48.0 -66.1 -38.7 80.7 55.1 5.2 75 79 A M H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.938 110.6 51.9 -66.1 -42.0 79.1 58.5 4.6 76 80 A G H X S+ 0 0 11 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.926 110.1 47.9 -59.1 -46.0 81.9 59.3 2.1 77 81 A M H X S+ 0 0 17 -4,-2.8 4,-1.3 1,-0.2 55,-0.5 0.931 109.9 52.5 -61.8 -42.6 81.3 56.0 0.3 78 82 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.3 3,-0.4 0.884 103.6 58.8 -58.6 -38.2 77.5 56.8 0.2 79 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.3 -1,-0.3 0.878 101.6 53.9 -59.0 -37.7 78.3 60.1 -1.2 80 84 A T H X S+ 0 0 6 -4,-1.5 4,-2.9 -3,-0.5 -1,-0.3 0.840 105.1 54.1 -67.5 -30.0 80.0 58.4 -4.2 81 85 A V H X S+ 0 0 1 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.885 106.0 53.0 -69.5 -35.4 76.8 56.4 -4.7 82 86 A M H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.917 112.7 43.3 -64.5 -42.5 74.9 59.7 -4.9 83 87 A N H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.921 112.5 52.7 -68.5 -43.5 77.3 61.0 -7.6 84 88 A G H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.897 109.1 51.4 -57.2 -39.1 77.2 57.6 -9.3 85 89 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.943 112.6 43.7 -62.5 -50.5 73.4 57.9 -9.3 86 90 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.884 115.3 49.4 -64.4 -39.4 73.5 61.4 -10.8 87 91 A M H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.934 109.4 51.0 -67.2 -44.9 76.1 60.5 -13.4 88 92 A R H X S+ 0 0 34 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.945 110.4 50.1 -57.7 -46.7 74.2 57.3 -14.4 89 93 A D H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.901 107.6 52.4 -58.5 -43.2 71.1 59.4 -14.9 90 94 A A H X S+ 0 0 1 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.880 110.9 50.1 -59.0 -37.9 73.0 62.0 -17.0 91 95 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 3,-0.7 0.936 110.6 47.7 -66.3 -46.8 74.2 59.0 -19.1 92 96 A H H ><5S+ 0 0 74 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.912 109.9 51.9 -62.7 -41.1 70.7 57.6 -19.6 93 97 A R H 3<5S+ 0 0 66 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.672 108.1 53.2 -70.6 -13.6 69.2 61.0 -20.5 94 98 A A T <<5S- 0 0 7 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.259 122.5-111.6 -99.4 8.8 72.0 61.2 -23.1 95 99 A Y T < 5S+ 0 0 196 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.910 70.1 142.2 61.9 45.9 70.9 57.8 -24.4 96 100 A V < - 0 0 8 -5,-2.2 2,-0.4 -8,-0.2 -1,-0.2 -0.975 55.5-121.5-118.0 125.6 74.0 56.0 -23.2 97 101 A N + 0 0 94 -2,-0.5 30,-2.8 28,-0.2 2,-0.3 -0.537 48.0 162.8 -67.4 123.3 73.5 52.5 -21.9 98 102 A A E -d 127 0A 10 -2,-0.4 2,-0.4 28,-0.2 30,-0.2 -1.000 28.5-160.2-148.9 146.3 74.9 52.5 -18.3 99 103 A R E -d 128 0A 87 28,-2.7 30,-3.1 -2,-0.3 2,-0.6 -0.986 13.2-145.6-127.1 132.5 74.8 50.5 -15.1 100 104 A L E -d 129 0A 0 -2,-0.4 11,-2.4 28,-0.2 2,-0.3 -0.874 20.4-174.8 -99.0 124.4 75.6 51.8 -11.7 101 105 A M E -de 130 111A 2 28,-3.7 30,-2.4 -2,-0.6 2,-0.4 -0.833 7.6-153.9-114.8 156.9 77.2 49.2 -9.4 102 106 A S E -de 131 112A 1 9,-1.9 11,-3.6 -2,-0.3 30,-0.2 -0.995 22.0-149.2-135.3 137.1 78.1 49.6 -5.7 103 107 A A S S+ 0 0 28 28,-2.2 29,-0.1 -2,-0.4 -1,-0.1 0.681 100.6 58.5 -73.1 -16.0 80.7 47.9 -3.5 104 108 A I S S- 0 0 14 27,-0.2 -1,-0.2 -27,-0.1 242,-0.1 -0.944 104.2-116.0-116.6 106.4 78.2 48.5 -0.8 105 109 A P + 0 0 56 0, 0.0 6,-0.1 0, 0.0 -2,-0.1 -0.099 36.7 174.5 -43.8 125.0 74.9 46.7 -1.7 106 110 A L >> - 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0 0 103 -3,-0.6 -1,-0.3 58,-0.0 2,-0.2 -0.860 64.6-135.7-132.2 167.5 90.8 54.2 1.5 140 144 A T >> - 0 0 64 -2,-0.3 4,-1.4 -3,-0.1 3,-0.8 -0.732 31.6-106.8-118.7 168.3 90.1 56.7 -1.3 141 145 A T H 3> S+ 0 0 22 1,-0.3 4,-2.9 -2,-0.2 5,-0.2 0.772 118.1 68.5 -68.1 -21.8 88.3 56.4 -4.6 142 146 A D H 3> S+ 0 0 16 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.894 100.1 48.0 -62.3 -36.1 91.8 56.6 -6.2 143 147 A S H <> S+ 0 0 5 -3,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.892 111.5 50.0 -69.4 -37.7 92.5 53.2 -4.7 144 148 A A H X S+ 0 0 0 -4,-1.4 4,-3.5 2,-0.2 5,-0.4 0.898 107.5 54.6 -65.2 -40.3 89.2 51.9 -6.0 145 149 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.916 113.5 41.2 -60.5 -43.5 90.1 53.3 -9.4 146 150 A C H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.925 117.4 47.6 -71.2 -43.3 93.3 51.4 -9.5 147 151 A L H X S+ 0 0 60 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.956 117.4 41.1 -62.1 -51.6 91.8 48.2 -7.9 148 152 A R H X S+ 0 0 17 -4,-3.5 4,-2.9 2,-0.2 -1,-0.2 0.870 112.3 56.9 -64.4 -37.2 88.8 48.2 -10.3 149 153 A G H <>S+ 0 0 0 -4,-2.0 5,-2.8 -5,-0.4 4,-0.2 0.936 111.4 42.2 -58.7 -46.8 91.1 49.1 -13.2 150 154 A I H ><5S+ 0 0 43 -4,-2.5 3,-0.9 3,-0.2 -2,-0.2 0.908 113.7 54.2 -65.3 -42.3 93.3 46.1 -12.5 151 155 A E H 3<5S+ 0 0 51 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.908 113.6 38.7 -58.7 -48.0 90.2 44.0 -12.0 152 156 A I T 3<5S- 0 0 2 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.359 110.7-121.5 -87.1 6.4 88.5 44.8 -15.3 153 157 A E T < 5 - 0 0 139 -3,-0.9 -3,-0.2 -4,-0.2 -146,-0.1 0.922 42.3-174.1 54.2 48.4 91.9 44.7 -17.0 154 158 A A < - 0 0 14 -5,-2.8 -146,-0.2 -6,-0.2 -1,-0.1 -0.388 30.3-130.8 -69.7 152.4 91.6 48.3 -18.2 155 159 A N S S- 0 0 66 -148,-3.6 2,-0.3 1,-0.3 -147,-0.2 0.707 84.6 -6.9 -77.4 -19.2 94.3 49.4 -20.5 156 160 A V E -b 8 0A 0 -149,-0.6 -147,-2.3 51,-0.1 2,-0.6 -0.980 62.0-120.6-170.5 156.8 94.7 52.5 -18.4 157 161 A V E -bf 9 209A 0 51,-2.2 53,-2.6 -2,-0.3 2,-0.8 -0.952 25.3-154.8-108.3 121.1 93.4 54.6 -15.5 158 162 A L E -bf 10 210A 0 -149,-2.3 -147,-3.2 -2,-0.6 2,-0.9 -0.872 5.1-160.6-100.1 108.0 92.4 58.1 -16.6 159 163 A K E -bf 11 211A 25 51,-2.5 53,-2.0 -2,-0.8 2,-0.7 -0.792 7.3-154.2 -92.2 106.3 92.5 60.4 -13.6 160 164 A A E +bf 12 212A 0 -149,-2.5 -147,-0.9 -2,-0.9 53,-0.2 -0.716 25.1 165.2 -84.1 113.7 90.5 63.4 -14.4 161 165 A T E - f 0 213A 26 51,-3.0 53,-2.2 -2,-0.7 54,-0.5 -0.578 52.0-106.6-117.4-178.3 91.7 66.4 -12.4 162 166 A K S S+ 0 0 90 -2,-0.2 2,-0.3 51,-0.2 51,-0.1 0.261 99.5 73.8 -92.6 9.8 91.1 70.2 -12.5 163 167 A V S S- 0 0 41 49,-0.3 -2,-0.4 1,-0.1 51,-0.1 -0.861 90.9-114.8-123.1 156.8 94.7 70.5 -13.9 164 168 A D S S- 0 0 77 -2,-0.3 49,-0.4 48,-0.1 2,-0.3 0.774 79.9 -72.7 -59.6 -28.2 96.3 69.7 -17.2 165 169 A G S S- 0 0 7 65,-0.2 2,-0.5 47,-0.2 47,-0.1 -0.922 81.3 -11.8 171.6-144.2 98.4 67.0 -15.6 166 170 A V - 0 0 3 12,-0.5 12,-2.9 -2,-0.3 2,-0.2 -0.814 59.1-169.1 -94.2 123.8 101.3 66.4 -13.3 167 171 A F B -I 177 0B 26 -2,-0.5 25,-0.4 10,-0.3 10,-0.2 -0.626 38.9-111.5-108.0 168.2 103.5 69.4 -12.5 168 172 A T S S- 0 0 58 8,-1.8 2,-0.3 1,-0.3 9,-0.1 0.700 106.0 -12.7 -68.3 -17.1 106.8 69.8 -10.8 169 173 A A S S- 0 0 55 7,-0.3 -1,-0.3 22,-0.0 22,-0.0 -0.923 105.6 -57.2-173.5 158.3 104.7 71.5 -8.0 170 174 A D 0 0 116 -2,-0.3 5,-0.2 1,-0.2 -4,-0.1 -0.248 360.0 360.0 -50.6 104.5 101.2 72.7 -7.7 171 175 A P 0 0 67 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 0.326 360.0 360.0 -60.4 360.0 101.0 75.3 -10.5 172 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 173 179 A P 0 0 154 0, 0.0 -3,-0.0 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 -41.9 104.0 79.8 -10.5 174 180 A T + 0 0 124 2,-0.1 -6,-0.1 -6,-0.0 -5,-0.0 0.738 360.0 125.3 -94.2 -29.6 107.1 78.3 -12.1 175 181 A A - 0 0 14 -5,-0.2 2,-0.3 1,-0.1 -8,-0.0 0.089 44.6-157.2 -36.0 130.6 105.9 74.7 -12.0 176 182 A T - 0 0 89 0, 0.0 -8,-1.8 0, 0.0 2,-0.5 -0.734 16.3-111.0-112.3 162.6 105.9 72.9 -15.4 177 183 A M B -I 167 0B 55 -2,-0.3 -10,-0.3 -10,-0.2 2,-0.2 -0.818 20.8-139.6-101.0 127.5 104.0 69.9 -16.6 178 184 A Y - 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