==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JAN-06 2CCG . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.KOTAKA,B.DHALIWAL,J.REN,C.E.NICHOLS,R.ANGELL,M.LOCKYER, . 401 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 80.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 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 . 31 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 47.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.5 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 2 2 0 2 0 1 3 0 0 3 0 2 2 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 98 0, 0.0 2,-0.3 0, 0.0 85,-0.2 0.000 360.0 360.0 360.0 151.7 -15.9 -23.7 108.8 2 3 A A E -a 86 0A 4 83,-1.5 85,-3.0 2,-0.1 2,-0.9 -0.960 360.0-153.9-145.9 125.9 -17.0 -20.5 110.6 3 4 A F E +a 87 0A 1 -2,-0.3 122,-2.1 83,-0.2 123,-1.8 -0.840 26.5 177.7 -97.9 101.0 -16.1 -16.8 110.0 4 5 A I E -ab 88 126A 0 83,-2.9 85,-3.0 -2,-0.9 2,-0.3 -0.927 6.9-168.0-111.3 120.9 -16.6 -15.1 113.4 5 6 A T E -ab 89 127A 0 121,-2.5 123,-3.0 -2,-0.5 2,-0.4 -0.721 11.1-145.9-107.3 157.6 -15.8 -11.4 113.9 6 7 A F E +ab 90 128A 0 83,-2.4 85,-2.2 -2,-0.3 2,-0.3 -0.983 20.8 176.2-122.5 130.1 -15.5 -9.4 117.1 7 8 A E E + b 0 129A 0 121,-2.7 123,-2.6 -2,-0.4 83,-0.0 -0.897 12.8 132.0-130.2 160.3 -16.6 -5.8 117.2 8 9 A G - 0 0 0 -2,-0.3 123,-0.1 121,-0.2 3,-0.1 -0.810 47.6 -96.5 164.4 154.7 -16.7 -3.2 120.0 9 10 A P > - 0 0 3 0, 0.0 3,-0.9 0, 0.0 5,-0.3 0.045 64.1 -61.3 -74.1-168.5 -15.8 0.4 120.9 10 11 A E T 3 S+ 0 0 77 1,-0.2 131,-0.1 2,-0.1 130,-0.1 -0.488 122.5 24.8 -75.9 148.2 -12.6 1.5 122.7 11 12 A G T 3 S+ 0 0 18 -2,-0.1 -1,-0.2 129,-0.1 129,-0.2 0.725 81.6 120.2 71.4 21.3 -12.2 0.1 126.2 12 13 A S S < S- 0 0 1 -3,-0.9 -2,-0.1 120,-0.1 -1,-0.1 0.503 80.1-123.1 -91.9 -6.3 -14.4 -2.9 125.5 13 14 A G > + 0 0 18 -4,-0.1 4,-2.4 124,-0.1 5,-0.2 0.660 61.6 148.6 72.6 16.6 -11.5 -5.2 126.3 14 15 A K H > + 0 0 15 -5,-0.3 4,-2.8 1,-0.2 5,-0.3 0.892 62.6 51.1 -49.2 -52.7 -11.9 -6.8 122.9 15 16 A T H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 113.5 43.0 -58.0 -45.6 -8.3 -7.7 122.3 16 17 A T H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.895 114.7 52.9 -68.7 -36.0 -7.8 -9.5 125.6 17 18 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.979 109.0 45.9 -61.2 -57.5 -11.2 -11.2 125.2 18 19 A I H X S+ 0 0 5 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.879 112.3 55.1 -54.8 -37.1 -10.5 -12.6 121.7 19 20 A N H X S+ 0 0 68 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.925 112.6 38.8 -63.6 -47.1 -7.1 -13.7 122.9 20 21 A E H X S+ 0 0 106 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.885 115.2 53.2 -71.3 -39.1 -8.4 -15.8 125.9 21 22 A V H >X S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.2 3,-0.7 0.953 108.6 51.2 -59.3 -49.0 -11.4 -17.1 124.0 22 23 A Y H 3X S+ 0 0 53 -4,-2.6 4,-3.0 -5,-0.3 -1,-0.2 0.899 105.2 55.6 -55.2 -43.9 -9.1 -18.3 121.2 23 24 A H H 3< S+ 0 0 98 -4,-1.7 4,-0.3 1,-0.2 -1,-0.3 0.817 108.0 49.5 -62.6 -27.6 -6.9 -20.1 123.7 24 25 A R H S- 0 0 3 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.987 86.8-172.1 -80.9 0.3 -4.2 -6.6 107.9 38 39 A G T 3 S- 0 0 19 1,-0.3 -2,-0.1 -3,-0.2 5,-0.0 0.822 71.7 -51.4 53.4 42.5 -3.1 -9.8 109.7 39 40 A G T 3 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.1 -3,-0.1 0.446 92.4 147.1 79.9 -2.3 0.4 -10.0 108.3 40 41 A V <> - 0 0 8 -3,-1.7 4,-3.3 1,-0.1 -1,-0.3 -0.592 47.6-138.0 -71.0 120.7 -0.7 -9.7 104.7 41 42 A P H > S+ 0 0 94 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.906 99.5 36.4 -42.4 -66.4 2.1 -7.9 102.9 42 43 A T H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.902 117.3 54.6 -58.9 -41.0 0.0 -5.5 100.8 43 44 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 106.6 51.4 -58.7 -43.1 -2.5 -5.2 103.5 44 45 A E H X S+ 0 0 64 -4,-3.3 4,-2.4 2,-0.2 -1,-0.2 0.900 108.8 49.5 -61.3 -45.4 0.2 -4.1 106.0 45 46 A E H X S+ 0 0 80 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.924 111.8 49.5 -60.0 -44.9 1.5 -1.4 103.7 46 47 A I H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 3,-0.4 0.914 111.7 48.5 -59.8 -46.0 -2.0 -0.1 103.1 47 48 A R H >X S+ 0 0 27 -4,-2.4 4,-1.8 1,-0.2 3,-1.3 0.866 102.5 62.1 -65.5 -37.3 -2.6 -0.0 106.9 48 49 A K H 3X S+ 0 0 112 -4,-2.4 4,-1.4 1,-0.3 -1,-0.2 0.870 97.4 58.0 -58.2 -35.7 0.6 1.8 107.6 49 50 A I H 3< S+ 0 0 13 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.782 110.3 47.6 -63.6 -24.2 -0.6 4.8 105.5 50 51 A V H X< S+ 0 0 10 -3,-1.3 3,-1.1 -4,-0.6 -2,-0.2 0.912 108.6 43.8 -84.9 -51.6 -3.6 5.0 107.9 51 52 A L H 3< S+ 0 0 126 -4,-1.8 -2,-0.1 1,-0.3 -3,-0.1 0.855 112.8 53.5 -66.5 -33.3 -2.3 4.8 111.5 52 53 A E T 3< S+ 0 0 144 -4,-1.4 2,-0.5 -5,-0.3 -1,-0.3 -0.018 93.0 152.2 -85.6 28.3 0.5 7.2 110.7 53 54 A G < - 0 0 29 -3,-1.1 2,-0.8 1,-0.1 -3,-0.1 -0.485 31.2-175.3 -67.4 110.7 -2.6 9.0 109.5 54 55 A N - 0 0 149 -2,-0.5 -1,-0.1 1,-0.1 -2,-0.1 -0.798 69.0 -52.2-112.7 92.2 -2.3 12.7 109.6 55 56 A D S S+ 0 0 165 -2,-0.8 2,-0.3 1,-0.2 -1,-0.1 0.916 77.3 171.5 45.6 66.5 -5.7 14.2 108.6 56 57 A M - 0 0 16 1,-0.2 -1,-0.2 -6,-0.1 5,-0.1 -0.746 50.6 -78.1 -99.5 146.6 -6.2 12.3 105.5 57 58 A D > - 0 0 32 -2,-0.3 4,-2.6 1,-0.2 -1,-0.2 -0.141 38.0-129.4 -43.7 139.7 -9.7 12.6 103.9 58 59 A I H > S+ 0 0 55 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.827 111.4 55.9 -65.1 -28.8 -12.1 10.4 105.9 59 60 A R H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 107.3 47.3 -68.8 -39.4 -13.2 9.0 102.5 60 61 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.948 112.3 50.6 -64.8 -47.0 -9.6 8.1 101.7 61 62 A E H X S+ 0 0 27 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.925 109.7 50.6 -53.1 -50.7 -9.3 6.5 105.2 62 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.895 111.5 48.0 -55.5 -45.4 -12.5 4.6 104.5 63 64 A M H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.869 109.2 52.2 -66.6 -38.8 -11.2 3.3 101.2 64 65 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.906 109.8 49.1 -66.0 -39.4 -7.8 2.3 102.7 65 66 A F H X S+ 0 0 32 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.909 113.2 48.4 -63.7 -40.4 -9.6 0.3 105.4 66 67 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.908 111.6 48.7 -64.5 -43.3 -11.7 -1.3 102.7 67 68 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.892 113.3 46.5 -64.3 -41.5 -8.6 -2.1 100.5 68 69 A S H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.888 110.0 54.9 -67.2 -40.5 -6.8 -3.6 103.5 69 70 A R H X S+ 0 0 3 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.929 107.2 51.2 -57.0 -46.5 -9.9 -5.6 104.3 70 71 A R H X S+ 0 0 27 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.937 110.1 47.0 -57.2 -54.2 -9.9 -7.0 100.8 71 72 A E H X S+ 0 0 6 -4,-2.0 4,-3.5 1,-0.2 5,-0.4 0.945 115.3 46.2 -53.4 -53.7 -6.3 -8.2 100.8 72 73 A H H X>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-1.7 0.896 113.5 49.1 -57.2 -45.2 -6.8 -9.8 104.2 73 74 A L H <>S+ 0 0 1 -4,-2.8 5,-3.6 -5,-0.2 -2,-0.2 0.952 119.8 36.1 -61.3 -50.9 -10.0 -11.4 103.3 74 75 A V H <5S+ 0 0 38 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.898 124.3 38.8 -71.8 -45.3 -8.7 -12.9 100.0 75 76 A L H <5S+ 0 0 95 -4,-3.5 -3,-0.2 -5,-0.3 -1,-0.2 0.630 136.9 6.9 -84.1 -14.1 -5.2 -13.8 101.1 76 77 A K T X5S+ 0 0 72 -4,-1.7 4,-1.5 -5,-0.4 -3,-0.2 0.661 124.4 45.1-134.5 -47.4 -5.9 -15.0 104.6 77 78 A V H > S+ 0 0 46 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.933 111.2 48.9 -54.0 -45.4 -8.2 -19.6 102.3 80 81 A A H <>S+ 0 0 8 -4,-1.5 5,-2.0 1,-0.2 3,-0.4 0.872 110.4 50.6 -60.9 -40.0 -8.6 -20.5 105.9 81 82 A L H ><5S+ 0 0 25 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.840 104.9 56.7 -68.6 -33.2 -12.4 -21.0 105.5 82 83 A K H 3<5S+ 0 0 173 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.737 104.1 54.8 -69.1 -22.4 -11.8 -23.2 102.5 83 84 A E T 3<5S- 0 0 133 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.230 122.0-108.3 -94.4 12.8 -9.7 -25.4 104.7 84 85 A G T < 5 + 0 0 43 -3,-1.5 -54,-0.2 1,-0.2 -3,-0.2 0.757 67.4 148.8 69.1 28.6 -12.6 -25.8 107.2 85 86 A K < - 0 0 37 -5,-2.0 -83,-1.5 -84,-0.1 2,-0.7 -0.488 52.1-118.0 -92.9 162.5 -11.1 -23.6 110.0 86 87 A V E -ac 2 31A 13 -56,-2.3 -54,-2.7 -85,-0.2 2,-0.6 -0.903 31.4-153.4 -98.6 118.9 -12.8 -21.4 112.5 87 88 A V E -ac 3 32A 0 -85,-3.0 -83,-2.9 -2,-0.7 2,-0.7 -0.866 9.2-165.4-101.0 114.4 -11.7 -17.8 111.9 88 89 A L E -ac 4 33A 0 -56,-2.9 -54,-3.1 -2,-0.6 2,-0.5 -0.893 16.0-168.3 -96.5 115.3 -11.7 -15.5 114.8 89 90 A C E -ac 5 34A 0 -85,-3.0 -83,-2.4 -2,-0.7 2,-1.0 -0.923 20.2-142.7-117.3 116.0 -11.4 -12.0 113.4 90 91 A D E S-ac 6 35A 8 -56,-3.0 -54,-0.8 -2,-0.5 -83,-0.1 -0.621 78.3 -15.5 -74.8 101.2 -10.6 -8.8 115.4 91 92 A R S S+ 0 0 44 -85,-2.2 -55,-0.3 -2,-1.0 2,-0.2 0.591 70.9 166.3 74.6 137.0 -12.8 -6.2 113.6 92 93 A Y >> - 0 0 0 -86,-0.1 3,-1.2 -57,-0.1 4,-1.1 -0.530 58.7 -27.9-150.1-146.4 -14.3 -6.3 110.2 93 94 A I H >> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.881 127.0 60.4 -49.7 -45.7 -16.9 -4.5 108.0 94 95 A D H 3> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.829 96.9 59.7 -54.4 -36.7 -18.9 -3.3 111.0 95 96 A S H <> S+ 0 0 9 -3,-1.2 4,-3.2 1,-0.2 5,-0.4 0.935 107.8 46.1 -58.1 -45.9 -15.9 -1.4 112.4 96 97 A S H S+ 0 0 1 -4,-1.1 5,-2.4 -3,-0.5 4,-1.2 0.927 111.6 51.4 -62.8 -45.1 -15.9 0.6 109.2 97 98 A L H <>S+ 0 0 0 -4,-2.1 5,-2.7 3,-0.2 -2,-0.2 0.923 117.5 39.1 -56.9 -45.9 -19.7 1.2 109.4 98 99 A A H <>S+ 0 0 0 -4,-3.0 5,-3.0 3,-0.2 -2,-0.2 0.937 127.6 30.5 -72.2 -47.9 -19.4 2.4 113.0 99 100 A Y H <>S+ 0 0 27 -4,-3.2 5,-2.4 -5,-0.2 6,-0.2 0.975 133.4 24.0 -77.5 -60.2 -16.2 4.4 112.7 100 101 A Q T <5S+ 0 0 11 -4,-1.2 6,-1.7 -5,-0.4 7,-0.3 0.903 131.5 40.2 -74.9 -42.4 -16.1 5.8 109.1 101 102 A G T >> - 0 0 29 -6,-1.9 4,-2.2 -7,-0.3 3,-0.5 0.298 21.1-119.4 117.4 113.0 -22.9 7.8 106.1 108 109 A V H 3> S+ 0 0 34 1,-0.2 4,-2.1 -7,-0.2 5,-0.1 0.858 111.9 45.3 -44.3 -51.3 -23.3 4.2 107.1 109 110 A E H 3> S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.849 110.5 53.8 -67.7 -32.5 -24.9 3.0 103.9 110 111 A E H <> S+ 0 0 76 -3,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.889 113.8 42.6 -68.0 -38.5 -22.4 4.8 101.7 111 112 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.815 110.6 56.3 -76.0 -30.9 -19.5 3.1 103.6 112 113 A R H X S+ 0 0 20 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.870 106.6 50.8 -68.4 -34.4 -21.4 -0.2 103.5 113 114 A A H X S+ 0 0 50 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.885 108.1 52.1 -68.6 -40.7 -21.5 0.1 99.7 114 115 A L H >X S+ 0 0 6 -4,-1.4 4,-0.9 1,-0.2 3,-0.6 0.945 112.5 45.5 -58.9 -49.1 -17.8 0.7 99.5 115 116 A N H 3X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 5,-0.3 0.720 101.8 65.0 -69.2 -23.2 -17.1 -2.3 101.6 116 117 A E H 3X S+ 0 0 83 -4,-1.3 4,-1.4 1,-0.2 5,-0.4 0.848 101.8 51.3 -66.2 -35.2 -19.5 -4.5 99.6 117 118 A F H << S+ 0 0 12 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.828 115.2 43.7 -68.1 -32.7 -17.1 -4.0 96.7 118 119 A A H < S+ 0 0 0 -4,-0.9 -2,-0.2 1,-0.1 -1,-0.2 0.933 122.6 32.8 -79.3 -49.4 -14.3 -5.1 99.0 119 120 A I H >< S- 0 0 1 -4,-3.5 3,-2.2 -46,-0.0 -3,-0.2 0.539 92.2-139.8 -86.6 -9.2 -15.9 -8.1 100.7 120 121 A N T 3< S- 0 0 86 -4,-1.4 -3,-0.1 -5,-0.3 -4,-0.1 0.878 72.3 -52.0 52.1 41.0 -18.0 -9.2 97.7 121 122 A G T 3 S+ 0 0 51 -5,-0.4 2,-1.8 1,-0.2 -1,-0.3 0.479 98.5 141.6 77.6 0.6 -20.9 -10.0 100.0 122 123 A L < + 0 0 57 -3,-2.2 -1,-0.2 -6,-0.2 3,-0.1 -0.538 26.7 173.4 -80.6 82.3 -18.8 -12.2 102.3 123 124 A Y - 0 0 59 -2,-1.8 -120,-0.1 1,-0.1 2,-0.0 -0.505 38.8 -86.4 -86.3 158.2 -20.3 -11.3 105.7 124 125 A P - 0 0 6 0, 0.0 -120,-0.2 0, 0.0 3,-0.1 -0.284 22.0-138.6 -62.6 144.5 -19.4 -13.0 109.0 125 126 A D S S+ 0 0 73 -122,-2.1 2,-0.3 1,-0.3 -121,-0.2 0.892 93.6 9.4 -69.9 -36.9 -21.2 -16.2 110.0 126 127 A L E -b 4 0A 8 -123,-1.8 -121,-2.5 2,-0.0 2,-0.5 -0.998 66.8-162.8-142.9 142.1 -21.3 -14.8 113.5 127 128 A T E -bd 5 177A 0 49,-2.9 51,-2.2 -2,-0.3 2,-0.5 -0.942 9.2-153.7-132.0 113.3 -20.3 -11.4 115.0 128 129 A I E -bd 6 178A 0 -123,-3.0 -121,-2.7 -2,-0.5 2,-0.6 -0.723 9.7-159.2 -84.7 125.5 -19.7 -11.0 118.7 129 130 A Y E -bd 7 179A 1 49,-2.0 51,-2.4 -2,-0.5 2,-1.4 -0.930 8.9-149.1-110.7 117.1 -20.3 -7.4 119.9 130 131 A L E - d 0 180A 0 -123,-2.6 2,-1.2 -2,-0.6 51,-0.2 -0.698 18.0-157.3 -85.4 93.4 -18.7 -6.5 123.2 131 132 A N E + d 0 181A 49 49,-2.7 51,-1.6 -2,-1.4 52,-0.6 -0.619 24.1 161.8 -79.8 94.6 -21.2 -4.0 124.5 132 133 A V - 0 0 0 -2,-1.2 2,-0.1 50,-0.2 -120,-0.1 -0.841 38.3-115.9-110.7 148.1 -19.5 -1.7 126.9 133 134 A S > - 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0 0 29 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.474 26.5-112.4 -79.5 156.5 -5.9 2.5 67.2 338 135 B A H > S+ 0 0 11 1,-0.2 4,-3.2 2,-0.2 5,-0.1 0.915 117.0 50.6 -52.6 -46.2 -4.5 -0.6 68.8 339 136 B E H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 112.1 44.5 -61.7 -44.9 -2.0 -1.1 65.9 340 137 B V H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.930 114.4 51.5 -65.9 -43.3 -0.8 2.5 65.9 341 138 B G H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.941 107.3 52.5 -56.8 -49.3 -0.5 2.3 69.7 342 139 B R H X S+ 0 0 70 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.892 110.9 48.1 -53.0 -44.8 1.5 -1.0 69.4 343 140 B E H X S+ 0 0 105 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.909 110.6 47.7 -65.2 -47.8 4.0 0.7 67.0 344 141 B R H < S+ 0 0 40 -4,-2.5 4,-0.4 -129,-0.2 -1,-0.2 0.894 115.8 48.1 -60.0 -38.6 4.6 3.9 69.0 345 142 B I H >X S+ 0 0 50 -4,-2.3 4,-2.2 -5,-0.3 3,-0.9 0.872 109.6 49.1 -68.8 -42.0 5.1 1.6 72.1 346 143 B I H 3< S+ 0 0 99 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 107.8 59.6 -65.6 -30.5 7.4 -0.7 70.3 347 144 B K T 3< S+ 0 0 177 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.656 110.8 38.5 -71.3 -18.4 9.2 2.5 69.2 348 145 B N T <4 0 0 135 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.754 360.0 360.0-101.6 -32.2 9.8 3.4 72.9 349 146 B S < 0 0 140 -4,-2.2 -1,-0.2 -5,-0.1 -4,-0.0 -0.897 360.0 360.0-114.2 360.0 10.6 0.0 74.3 350 ! 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 0.0 351 152 B L 0 0 204 0, 0.0 2,-0.1 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 -24.3 5.8 -6.4 74.6 352 153 B D - 0 0 94 1,-0.1 4,-0.2 0, 0.0 0, 0.0 -0.338 360.0 -90.1-124.3-157.1 3.7 -9.5 74.1 353 154 B Q S >> S+ 0 0 145 2,-0.2 4,-2.5 3,-0.1 3,-0.9 0.965 113.3 38.2 -87.4 -67.9 0.3 -11.0 73.0 354 155 B E H 3> S+ 0 0 145 1,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.709 119.8 55.3 -60.3 -15.0 -2.3 -11.3 75.7 355 156 B D H 3> S+ 0 0 82 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.778 107.2 47.5 -82.2 -31.4 -0.7 -7.9 76.7 356 157 B L H <> S+ 0 0 58 -3,-0.9 4,-0.7 -4,-0.2 -2,-0.2 0.781 112.5 49.5 -77.7 -29.4 -1.5 -6.8 73.2 357 158 B K H X S+ 0 0 120 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.726 108.2 53.0 -80.2 -24.3 -5.0 -8.2 73.6 358 159 B F H X S+ 0 0 51 -4,-0.8 4,-2.5 -5,-0.3 -2,-0.2 0.892 104.4 55.9 -74.1 -40.0 -5.4 -6.4 76.9 359 160 B H H X S+ 0 0 8 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.812 108.8 48.8 -59.8 -30.5 -4.4 -3.2 75.1 360 161 B E H X S+ 0 0 52 -4,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.906 107.1 53.0 -77.9 -41.5 -7.3 -3.9 72.8 361 162 B K H X S+ 0 0 108 -4,-1.8 4,-3.3 1,-0.2 -2,-0.2 0.903 106.3 55.1 -58.7 -41.8 -9.8 -4.5 75.6 362 163 B V H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.951 109.0 46.6 -55.0 -52.5 -8.8 -1.2 77.1 363 164 B I H X S+ 0 0 21 -4,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.896 112.0 50.9 -56.6 -44.0 -9.6 0.6 73.8 364 165 B E H X S+ 0 0 109 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.939 109.8 51.3 -57.9 -47.7 -12.9 -1.3 73.6 365 166 B G H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.920 109.6 48.3 -56.2 -48.1 -13.6 -0.2 77.2 366 167 B Y H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.936 107.2 56.5 -58.9 -44.8 -12.9 3.4 76.3 367 168 B Q H X S+ 0 0 85 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.880 108.8 48.8 -52.9 -40.3 -15.2 3.0 73.2 368 169 B E H < S+ 0 0 121 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.927 112.4 45.3 -65.3 -50.2 -18.0 1.9 75.6 369 170 B I H >< S+ 0 0 3 -4,-2.2 3,-0.9 1,-0.2 4,-0.2 0.866 107.7 61.3 -64.1 -38.4 -17.6 4.8 78.1 370 171 B I H >< S+ 0 0 12 -4,-2.7 3,-1.8 1,-0.2 2,-0.7 0.933 100.5 45.1 -58.2 -59.4 -17.4 7.5 75.5 371 172 B H T 3< S+ 0 0 154 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.1 -0.070 106.1 63.6 -84.9 41.6 -20.7 7.3 73.6 372 173 B N T < S+ 0 0 122 -3,-0.9 -1,-0.3 -2,-0.7 -2,-0.2 0.310 118.2 22.6-131.9 -8.1 -22.6 7.1 76.9 373 174 B E X> + 0 0 24 -3,-1.8 2,-3.3 -4,-0.2 3,-1.4 -0.151 63.0 156.9-155.9 45.6 -21.4 10.6 78.0 374 175 B S T 34 + 0 0 80 1,-0.2 -3,-0.1 2,-0.2 -4,-0.1 -0.290 61.7 84.8 -79.0 64.4 -20.4 12.7 75.0 375 176 B Q T 34 S+ 0 0 144 -2,-3.3 -1,-0.2 3,-0.0 -44,-0.0 0.534 103.5 23.7-122.5 -43.4 -21.0 15.8 77.1 376 177 B R T <4 S+ 0 0 19 -3,-1.4 -45,-2.4 -46,-0.1 -2,-0.2 0.824 110.7 92.1 -89.3 -42.3 -17.6 15.9 78.8 377 178 B F E < +h 331 0B 8 -4,-1.3 2,-0.4 -47,-0.2 -45,-0.2 -0.292 42.7 171.2 -65.3 132.7 -15.9 13.9 76.0 378 179 B K E -h 332 0B 92 -47,-2.0 -45,-2.0 -2,-0.1 2,-0.2 -0.960 24.6-147.0-139.2 112.5 -14.2 15.5 73.1 379 180 B S E -h 333 0B 66 -2,-0.4 2,-0.3 -47,-0.2 -45,-0.2 -0.502 12.3-167.1 -88.6 156.0 -12.2 13.0 71.0 380 181 B V E -h 334 0B 6 -47,-2.4 -45,-2.5 -2,-0.2 2,-1.1 -0.987 29.9-111.8-138.5 145.5 -9.1 13.6 69.0 381 182 B N E > +h 335 0B 73 -2,-0.3 3,-1.0 -47,-0.2 -45,-0.2 -0.679 31.0 178.0 -83.8 102.0 -7.4 11.3 66.4 382 183 B A T 3 + 0 0 0 -47,-1.5 -46,-0.2 -2,-1.1 -1,-0.2 0.380 68.4 82.2 -83.8 3.9 -4.2 10.0 67.9 383 184 B D T 3 S+ 0 0 63 -48,-0.6 -1,-0.2 -47,-0.1 -47,-0.1 0.633 78.3 85.3 -80.5 -14.8 -3.5 8.0 64.8 384 185 B Q S < S- 0 0 51 -3,-1.0 5,-0.0 1,-0.2 2,-0.0 -0.210 102.1 -72.9 -78.3 172.7 -2.0 11.1 63.2 385 186 B P >> - 0 0 81 0, 0.0 4,-1.8 0, 0.0 3,-1.3 -0.397 50.8-109.3 -65.5 149.0 1.6 12.3 63.7 386 187 B L H 3> S+ 0 0 66 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.809 116.7 61.1 -49.3 -38.7 2.1 13.7 67.2 387 188 B E H 3> S+ 0 0 167 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.867 108.7 43.9 -58.1 -38.2 2.5 17.3 65.9 388 189 B N H <> S+ 0 0 69 -3,-1.3 4,-2.7 2,-0.2 5,-0.2 0.876 109.2 55.0 -74.6 -40.3 -1.1 17.1 64.5 389 190 B V H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.898 109.6 49.2 -61.2 -38.0 -2.5 15.4 67.6 390 191 B V H X S+ 0 0 3 -4,-2.3 4,-3.3 -5,-0.2 -1,-0.2 0.939 111.0 47.9 -66.3 -49.0 -1.1 18.3 69.7 391 192 B E H X S+ 0 0 73 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.946 114.3 46.8 -56.5 -50.4 -2.5 21.0 67.4 392 193 B D H X S+ 0 0 63 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.913 114.5 47.2 -58.1 -46.0 -6.0 19.4 67.3 393 194 B T H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.935 111.8 49.9 -63.7 -46.5 -6.0 18.9 71.1 394 195 B Y H X S+ 0 0 27 -4,-3.3 4,-2.4 1,-0.2 3,-0.2 0.946 111.5 48.9 -57.5 -49.1 -4.8 22.5 71.7 395 196 B Q H X S+ 0 0 67 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.917 108.2 53.4 -56.8 -46.4 -7.6 23.8 69.4 396 197 B T H X S+ 0 0 13 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.874 112.6 45.5 -57.7 -36.8 -10.3 21.8 71.1 397 198 B I H X S+ 0 0 0 -4,-1.8 4,-2.0 -3,-0.2 -1,-0.2 0.859 110.7 51.0 -75.5 -38.2 -9.2 23.2 74.4 398 199 B I H X S+ 0 0 34 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.889 108.4 53.4 -67.3 -37.9 -9.0 26.8 73.3 399 200 B K H X S+ 0 0 111 -4,-2.5 4,-2.2 1,-0.2 3,-0.4 0.944 110.3 47.7 -61.5 -47.6 -12.5 26.5 71.8 400 201 B Y H < S+ 0 0 64 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.870 112.8 47.3 -61.4 -40.1 -13.9 25.3 75.1 401 202 B L H < S+ 0 0 37 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.709 114.4 49.4 -75.1 -18.9 -12.1 28.1 77.1 402 203 B E H < 0 0 119 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.2 0.874 360.0 360.0 -86.7 -44.3 -13.3 30.7 74.7 403 204 B K < 0 0 195 -4,-2.2 -2,-0.1 -5,-0.2 -3,-0.1 0.910 360.0 360.0 -50.7 360.0 -17.1 30.0 74.4