==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUL-07 2QRN . COMPND 2 MOLECULE: DEOXYCYTIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.E.EALICK,E.V.SORIANO . 912 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 690 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 10.1 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 . 57 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 360 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.1 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 4 4 8 0 4 0 4 4 0 0 4 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 12 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 4 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 20 A R 0 0 208 0, 0.0 2,-0.2 0, 0.0 86,-0.0 0.000 360.0 360.0 360.0 -36.5 69.9 54.7 18.4 2 21 A I - 0 0 7 79,-0.1 2,-0.5 88,-0.1 90,-0.2 -0.550 360.0-114.5 -85.6 146.3 72.2 57.7 18.2 3 22 A K E -a 92 0A 56 88,-1.4 90,-2.6 -2,-0.2 2,-0.6 -0.696 32.1-152.1 -80.3 125.8 73.3 59.8 21.2 4 23 A K E -a 93 0A 25 -2,-0.5 138,-3.0 136,-0.3 139,-1.1 -0.894 14.4-176.9-106.2 115.2 71.8 63.3 20.9 5 24 A I E -ab 94 143A 0 88,-2.3 90,-2.7 -2,-0.6 2,-0.4 -0.918 13.0-148.3-112.5 133.5 73.6 66.2 22.5 6 25 A S E -ab 95 144A 0 137,-2.1 139,-3.2 -2,-0.4 2,-0.8 -0.839 2.8-149.2-103.2 137.4 72.2 69.7 22.6 7 26 A I E -ab 96 145A 2 88,-2.8 90,-1.3 -2,-0.4 2,-0.2 -0.832 20.4-173.0-109.2 96.3 74.4 72.8 22.5 8 27 A E E + b 0 146A 0 137,-1.1 139,-3.0 -2,-0.8 2,-0.3 -0.593 19.0 133.5 -88.3 146.4 72.8 75.7 24.4 9 28 A G E - b 0 147A 0 -2,-0.2 139,-0.1 137,-0.2 3,-0.1 -0.969 51.5 -87.1-175.0 172.3 74.1 79.2 24.5 10 29 A N > - 0 0 6 137,-0.6 3,-1.3 -2,-0.3 2,-0.4 -0.083 70.0 -60.5 -81.3-171.1 73.0 82.8 24.1 11 30 A I T 3 S- 0 0 12 1,-0.3 -1,-0.2 2,-0.1 147,-0.2 -0.618 124.9 -1.1 -75.4 126.9 72.8 84.6 20.8 12 31 A A T 3 S+ 0 0 11 -2,-0.4 -1,-0.3 145,-0.1 145,-0.1 0.724 89.0 132.8 67.7 21.9 76.3 84.7 19.2 13 32 A A S < S- 0 0 0 -3,-1.3 -2,-0.1 144,-0.0 -1,-0.1 0.915 79.3-101.9 -68.0 -41.6 77.8 82.8 22.1 14 33 A G S > S+ 0 0 14 -4,-0.4 4,-2.3 3,-0.0 5,-0.1 0.715 72.2 140.5 125.0 39.0 79.4 80.5 19.6 15 34 A K H > S+ 0 0 13 -5,-0.2 4,-3.9 2,-0.2 5,-0.3 0.990 82.2 47.3 -67.6 -61.6 77.7 77.1 19.2 16 35 A S H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.931 116.3 45.7 -41.7 -59.9 78.2 77.0 15.4 17 36 A T H > S+ 0 0 80 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.909 117.1 44.0 -51.3 -50.2 81.8 78.0 15.8 18 37 A F H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 3,-0.3 0.849 113.0 50.2 -66.4 -38.1 82.4 75.5 18.7 19 38 A V H >X S+ 0 0 8 -4,-3.9 4,-3.6 1,-0.2 3,-0.7 0.896 101.6 61.0 -71.5 -38.3 80.6 72.6 17.1 20 39 A N H 3X S+ 0 0 88 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.784 101.5 55.8 -57.3 -27.9 82.5 72.9 13.7 21 40 A I H 3< S+ 0 0 21 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.852 113.9 38.6 -72.3 -35.6 85.6 72.2 15.7 22 41 A L H << S+ 0 0 0 -4,-0.9 3,-0.3 -3,-0.7 -2,-0.2 0.883 105.4 67.5 -80.4 -39.8 84.1 69.0 17.0 23 42 A K H >< S+ 0 0 78 -4,-3.6 2,-1.3 1,-0.3 3,-0.7 0.876 99.0 53.9 -45.2 -46.2 82.4 68.1 13.7 24 43 A Q T 3< S+ 0 0 147 -4,-1.3 -1,-0.3 1,-0.2 3,-0.1 -0.571 92.1 72.3 -92.8 70.5 85.9 67.6 12.2 25 44 A L T 3 S+ 0 0 70 -2,-1.3 -1,-0.2 1,-0.5 2,-0.2 0.095 105.6 15.4-163.9 15.5 87.2 65.1 14.8 26 45 A C X - 0 0 33 -3,-0.7 3,-0.7 3,-0.2 -1,-0.5 -0.754 56.2-136.5 169.6 143.9 85.1 62.1 13.8 27 46 A E T 3 S+ 0 0 164 1,-0.2 -3,-0.0 -2,-0.2 -1,-0.0 0.486 107.4 62.6 -88.8 -4.9 83.0 60.8 10.9 28 47 A D T 3 S+ 0 0 29 62,-0.1 64,-2.0 1,-0.1 2,-0.4 0.045 88.1 84.4-105.9 22.3 80.5 59.6 13.4 29 48 A W E < +c 92 0A 23 -3,-0.7 2,-0.2 -6,-0.3 64,-0.2 -0.933 56.4 169.5-129.9 105.3 79.8 63.1 14.6 30 49 A E E -c 93 0A 45 62,-1.8 64,-2.1 -2,-0.4 2,-0.3 -0.599 20.1-136.2-109.6 171.3 77.2 65.2 12.6 31 50 A V E -c 94 0A 19 -2,-0.2 64,-0.2 62,-0.2 62,-0.0 -0.957 8.6-158.3-133.8 152.0 75.5 68.5 13.2 32 51 A V E -c 95 0A 4 62,-2.4 64,-2.0 -2,-0.3 45,-0.1 -0.796 23.1-159.7-131.1 89.3 72.0 70.0 13.0 33 52 A P - 0 0 75 0, 0.0 43,-0.0 0, 0.0 64,-0.0 -0.207 31.7 -93.6 -66.8 153.0 72.2 73.8 12.7 34 53 A E - 0 0 21 1,-0.1 2,-2.5 2,-0.0 3,-0.4 -0.485 39.5-120.8 -63.7 135.0 69.3 76.1 13.5 35 54 A P > + 0 0 18 0, 0.0 4,-0.9 0, 0.0 3,-0.4 -0.139 61.8 146.5 -75.5 50.4 67.6 76.7 10.1 36 55 A V H > + 0 0 31 -2,-2.5 4,-0.9 1,-0.2 15,-0.1 0.713 63.0 69.8 -58.2 -17.8 68.3 80.4 10.5 37 56 A A H >> S+ 0 0 75 -3,-0.4 3,-1.4 1,-0.2 4,-0.5 0.986 100.2 41.6 -61.9 -60.3 68.7 80.3 6.7 38 57 A R H 34 S+ 0 0 111 -3,-0.4 -1,-0.2 1,-0.3 12,-0.2 0.600 106.5 65.7 -64.1 -14.0 65.0 79.7 6.0 39 58 A W H 3< S+ 0 0 15 -4,-0.9 12,-1.7 1,-0.2 11,-0.5 0.765 103.4 45.3 -79.3 -26.0 64.0 82.2 8.7 40 59 A C H << S+ 0 0 34 -3,-1.4 2,-0.2 -4,-0.9 -2,-0.2 0.514 127.9 28.2 -92.5 -8.0 65.5 85.0 6.7 41 60 A N S < S- 0 0 54 -4,-0.5 -1,-0.3 8,-0.1 8,-0.2 -0.742 81.0-151.6-153.7 96.3 63.9 83.8 3.5 42 61 A V + 0 0 2 6,-2.2 5,-0.5 -3,-0.3 2,-0.2 -0.367 29.7 151.2 -67.3 152.9 60.7 81.9 3.9 43 62 A Q 0 0 82 1,-0.1 313,-0.1 -5,-0.1 -1,-0.0 -0.869 360.0 360.0-161.1-168.4 60.0 79.3 1.2 44 63 A S 0 0 113 -2,-0.2 -1,-0.1 312,-0.0 308,-0.0 0.653 360.0 360.0-118.3 360.0 58.2 76.0 0.5 45 ! 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 46 77 A N 0 0 181 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 48.0 63.4 86.0 -2.4 47 78 A G - 0 0 46 -5,-0.5 2,-0.3 1,-0.2 -4,-0.1 0.876 360.0 -48.4 -55.8-112.0 60.2 85.6 -0.3 48 79 A G - 0 0 14 -6,-0.2 -6,-2.2 301,-0.1 2,-0.7 -0.872 37.3-125.0-130.8 164.7 60.1 87.4 3.1 49 80 A N > + 0 0 35 -2,-0.3 4,-2.0 -8,-0.2 -9,-0.2 -0.766 26.1 174.8-113.0 85.9 62.3 87.7 6.2 50 81 A V H > S+ 0 0 1 -2,-0.7 4,-1.8 -11,-0.5 -10,-0.2 0.783 78.6 60.2 -61.4 -28.5 60.3 86.6 9.2 51 82 A L H > S+ 0 0 9 -12,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.969 108.2 43.9 -63.7 -49.6 63.3 87.0 11.5 52 83 A Q H > S+ 0 0 72 1,-0.2 4,-3.1 -13,-0.2 5,-0.2 0.876 108.3 58.4 -61.3 -40.1 63.5 90.7 10.7 53 84 A M H X S+ 0 0 39 -4,-2.0 4,-2.6 1,-0.2 8,-0.3 0.896 104.9 51.2 -58.1 -40.5 59.7 91.2 11.0 54 85 A M H < S+ 0 0 5 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.875 112.8 45.8 -64.6 -38.1 59.9 89.9 14.5 55 86 A Y H < S+ 0 0 58 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.918 113.7 47.0 -71.5 -44.7 62.6 92.4 15.3 56 87 A E H < S+ 0 0 136 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.927 136.2 7.8 -64.3 -45.4 61.0 95.3 13.7 57 88 A K >X + 0 0 117 -4,-2.6 4,-1.7 -5,-0.2 3,-1.6 -0.547 68.9 166.7-140.9 74.7 57.6 94.7 15.2 58 89 A P H 3> S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.853 73.0 67.1 -55.2 -44.3 57.7 92.0 17.9 59 90 A E H 34 S+ 0 0 101 1,-0.2 58,-0.1 2,-0.2 -5,-0.1 0.623 115.1 34.5 -57.4 -6.3 54.3 92.7 19.4 60 91 A R H <4 S+ 0 0 31 -3,-1.6 4,-0.4 -7,-0.2 -1,-0.2 0.741 129.2 26.7-115.1 -40.2 53.0 91.5 16.0 61 92 A W H X S+ 0 0 27 -4,-1.7 4,-2.5 -8,-0.3 5,-0.3 0.338 88.4 96.4-110.3 5.6 55.3 88.8 14.7 62 93 A S H X S+ 0 0 0 -4,-2.4 4,-1.9 53,-0.3 5,-0.1 0.898 94.3 41.8 -61.9 -39.2 56.7 87.3 18.0 63 94 A F H > S+ 0 0 9 -5,-0.3 4,-2.0 52,-0.3 5,-0.2 0.988 114.2 48.0 -70.2 -61.2 54.1 84.6 17.8 64 95 A T H > S+ 0 0 3 -4,-0.4 4,-2.2 1,-0.2 5,-0.2 0.893 118.7 42.7 -44.1 -49.9 54.2 83.9 14.0 65 96 A F H X S+ 0 0 10 -4,-2.5 4,-3.7 1,-0.2 5,-0.2 0.986 109.8 52.6 -60.9 -65.4 58.0 83.7 14.2 66 97 A Q H X S+ 0 0 9 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.737 113.0 48.2 -44.6 -30.3 58.4 81.6 17.4 67 98 A T H X S+ 0 0 13 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.959 113.1 43.5 -76.2 -57.3 56.0 79.1 16.0 68 99 A Y H X S+ 0 0 5 -4,-2.2 4,-3.1 -5,-0.2 5,-0.2 0.900 112.5 57.7 -54.7 -41.3 57.6 78.7 12.5 69 100 A A H X S+ 0 0 2 -4,-3.7 4,-1.6 1,-0.2 -1,-0.2 0.936 109.3 40.9 -57.3 -50.8 61.0 78.7 14.3 70 101 A C H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 0.885 115.4 51.6 -67.8 -37.3 60.2 75.7 16.5 71 102 A L H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.981 109.1 50.5 -60.3 -54.6 58.4 73.8 13.6 72 103 A S H X S+ 0 0 9 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.794 109.5 52.3 -52.7 -35.6 61.4 74.4 11.3 73 104 A R H X S+ 0 0 6 -4,-1.6 4,-3.0 -5,-0.2 5,-0.3 0.949 108.8 47.7 -69.2 -50.1 63.7 73.0 14.0 74 105 A I H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.948 109.7 53.7 -56.0 -49.2 61.8 69.8 14.6 75 106 A R H X S+ 0 0 52 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.889 114.6 43.1 -51.0 -41.3 61.6 69.2 10.8 76 107 A A H X S+ 0 0 29 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.892 114.1 46.2 -74.2 -44.4 65.4 69.5 10.7 77 108 A Q H X S+ 0 0 4 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.942 111.8 53.1 -65.8 -45.0 66.4 67.5 13.8 78 109 A L H < S+ 0 0 29 -4,-2.9 4,-0.3 -5,-0.3 -1,-0.2 0.837 109.6 50.5 -58.0 -35.1 64.0 64.7 12.8 79 110 A A H >< S+ 0 0 59 -4,-1.1 3,-3.8 -5,-0.3 4,-0.4 0.994 106.3 49.1 -67.8 -64.6 65.6 64.6 9.4 80 111 A S H >< S+ 0 0 41 -4,-2.0 3,-0.6 1,-0.3 -1,-0.2 0.679 102.4 70.6 -50.1 -14.3 69.3 64.4 10.3 81 112 A L T 3< S+ 0 0 23 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.717 101.8 40.4 -75.8 -23.0 68.0 61.6 12.6 82 113 A N T < S+ 0 0 110 -3,-3.8 -1,-0.2 -4,-0.3 -2,-0.2 0.225 95.8 116.4-108.5 11.9 67.3 59.3 9.7 83 114 A G S X S- 0 0 26 -3,-0.6 3,-1.8 -4,-0.4 4,-0.2 -0.019 88.1 -84.0 -72.2 179.2 70.5 60.3 7.8 84 115 A K G > S+ 0 0 179 1,-0.3 3,-2.4 2,-0.2 4,-0.1 0.869 122.4 72.0 -52.1 -41.0 73.5 58.1 6.9 85 116 A L G > S+ 0 0 9 1,-0.3 3,-2.6 2,-0.2 -1,-0.3 0.823 78.0 82.2 -43.8 -36.9 74.9 58.6 10.4 86 117 A K G < S+ 0 0 83 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.712 92.0 46.1 -42.0 -32.1 72.1 56.4 11.6 87 118 A D G < S+ 0 0 136 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.147 88.0 107.8-104.7 19.6 74.1 53.3 10.7 88 119 A A S < S- 0 0 27 -3,-2.6 -60,-0.0 -4,-0.1 -3,-0.0 -0.180 72.7-113.0 -84.5-174.9 77.6 54.1 12.1 89 120 A E S S+ 0 0 149 1,-0.2 -1,-0.1 -2,-0.0 -4,-0.0 0.964 100.6 11.8 -86.7 -61.3 79.2 52.6 15.2 90 121 A K S S- 0 0 111 2,-0.0 -1,-0.2 -88,-0.0 -62,-0.1 -0.640 87.9-178.4-120.9 71.4 79.5 55.2 18.0 91 122 A P - 0 0 5 0, 0.0 -88,-1.4 0, 0.0 2,-0.3 -0.365 12.5-176.1 -74.5 146.9 77.3 58.0 16.5 92 123 A V E -ac 3 29A 1 -64,-2.0 -62,-1.8 -90,-0.2 2,-0.5 -0.983 8.2-161.4-146.4 130.4 76.7 61.4 18.0 93 124 A L E -ac 4 30A 0 -90,-2.6 -88,-2.3 -2,-0.3 2,-0.5 -0.962 8.9-153.5-118.5 120.8 74.4 64.1 16.8 94 125 A F E -ac 5 31A 1 -64,-2.1 -62,-2.4 -2,-0.5 2,-0.4 -0.831 6.6-155.3 -98.4 127.2 74.8 67.7 18.0 95 126 A F E -ac 6 32A 1 -90,-2.7 -88,-2.8 -2,-0.5 2,-1.1 -0.797 16.0-136.1 -99.8 137.1 71.8 70.1 18.0 96 127 A E E S-a 7 0A 16 -64,-2.0 -88,-0.1 -2,-0.4 -90,-0.1 -0.849 84.3 -24.4 -90.4 104.3 72.3 73.8 17.8 97 128 A R S S- 0 0 12 -90,-1.3 2,-0.3 -2,-1.1 -90,-0.1 0.336 76.9-118.7 70.2 156.2 69.7 74.6 20.5 98 129 A S >> - 0 0 2 -92,-0.1 4,-1.3 -3,-0.1 3,-0.9 -0.822 28.0-102.8-123.5 165.0 66.8 72.4 21.5 99 130 A V H 3> S+ 0 0 5 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 0.657 117.5 69.8 -61.7 -12.0 63.0 73.0 21.3 100 131 A Y H 3> S+ 0 0 6 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.915 99.0 42.4 -73.3 -43.7 63.3 73.5 25.0 101 132 A S H <>>S+ 0 0 0 -3,-0.9 5,-2.1 3,-0.2 4,-1.4 0.786 107.3 65.6 -72.9 -24.3 65.2 76.8 24.8 102 133 A D H <>S+ 0 0 3 -4,-1.3 5,-2.7 3,-0.2 6,-0.2 0.963 118.2 22.1 -56.2 -53.9 62.8 77.8 22.0 103 134 A R H <>S+ 0 0 6 -4,-1.5 5,-1.9 3,-0.2 -2,-0.2 0.896 130.4 40.3 -82.9 -47.6 59.9 77.8 24.4 104 135 A Y H <5S+ 0 0 22 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.644 127.5 26.7 -83.1 -14.4 61.4 78.2 27.9 105 136 A I T X5S+ 0 0 0 -4,-1.4 4,-1.5 -5,-0.3 -3,-0.2 0.786 131.9 18.5-108.8 -67.9 64.1 80.8 26.9 106 137 A F H >>S+ 0 0 6 -4,-1.7 5,-1.8 -3,-0.5 6,-0.4 0.863 107.9 48.8 -72.2 -34.1 59.0 87.4 24.7 111 142 A Y H X<5S+ 0 0 58 -4,-1.9 3,-1.7 -3,-1.0 5,-0.3 0.901 110.8 48.9 -69.8 -42.4 55.7 86.8 26.4 112 143 A E H 3<5S+ 0 0 104 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.822 105.7 58.9 -66.8 -29.3 57.0 88.3 29.7 113 144 A S T 3<5S- 0 0 44 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.280 121.9-112.8 -82.1 12.2 58.3 91.2 27.6 114 145 A E T < 5S+ 0 0 170 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.907 84.6 120.5 56.1 51.6 54.6 91.7 26.6 115 146 A C S > - 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0 0 31 -3,-0.7 3,-0.7 3,-0.2 -1,-0.5 -0.759 56.2-135.5 169.3 144.9 23.6 53.1 14.0 257 46 B E T 3 S+ 0 0 75 1,-0.2 -3,-0.0 -2,-0.2 -1,-0.0 0.480 107.6 62.4 -89.1 -4.8 26.0 52.4 16.8 258 47 B D T 3 S+ 0 0 27 62,-0.1 64,-2.0 1,-0.1 2,-0.4 0.044 88.2 84.7-106.1 22.8 28.8 52.0 14.2 259 48 B W E < +g 322 0B 24 -3,-0.7 2,-0.2 -6,-0.3 64,-0.2 -0.933 56.5 169.9-130.5 105.5 28.3 55.7 13.2 260 49 B E E -g 323 0B 44 62,-1.8 64,-2.1 -2,-0.4 2,-0.3 -0.603 19.9-136.4-109.8 170.7 30.2 58.3 15.2 261 50 B V E -g 324 0B 21 -2,-0.2 64,-0.2 62,-0.2 62,-0.0 -0.956 8.8-158.9-133.4 151.8 30.9 62.0 14.7 262 51 B V E -g 325 0B 5 62,-2.3 64,-2.0 -2,-0.3 45,-0.1 -0.805 23.3-159.9-131.6 89.2 33.8 64.4 15.0 263 52 B P - 0 0 76 0, 0.0 43,-0.0 0, 0.0 62,-0.0 -0.209 32.0 -92.8 -67.0 153.4 32.6 68.0 15.3 264 53 B E - 0 0 21 1,-0.1 2,-2.6 2,-0.0 3,-0.4 -0.495 39.5-120.9 -64.1 134.5 34.6 71.1 14.6 265 54 B P > + 0 0 17 0, 0.0 4,-0.9 0, 0.0 3,-0.4 -0.143 61.7 146.5 -74.7 50.2 36.1 72.0 18.0 266 55 B V H > + 0 0 30 -2,-2.6 4,-0.9 1,-0.2 15,-0.1 0.708 62.9 69.7 -58.4 -17.2 34.4 75.4 17.7 267 56 B A H >> S+ 0 0 76 -3,-0.4 3,-1.4 1,-0.2 4,-0.5 0.989 100.0 41.7 -62.6 -60.5 34.1 75.1 21.4 268 57 B R H 34 S+ 0 0 107 -3,-0.4 -1,-0.2 1,-0.3 12,-0.2 0.601 106.4 65.7 -64.2 -13.6 37.8 75.6 22.1 269 58 B W H 3< S+ 0 0 14 -4,-0.9 12,-1.7 1,-0.2 11,-0.5 0.766 103.5 45.2 -79.8 -25.6 38.0 78.3 19.5 270 59 B C H << S+ 0 0 33 -3,-1.4 2,-0.3 -4,-0.9 -2,-0.2 0.514 127.0 29.4 -92.9 -7.5 35.8 80.5 21.6 271 60 B N < - 0 0 41 -4,-0.5 -1,-0.3 8,-0.1 8,-0.2 -0.760 62.3-179.3-154.1 102.8 37.7 79.7 24.7 272 61 B V S S+ 0 0 7 6,-2.1 -1,-0.1 -2,-0.3 7,-0.1 0.825 79.3 55.9 -76.1 -32.4 41.4 78.9 24.5 273 62 B Q 0 0 110 5,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.996 360.0 360.0 -62.4 -64.3 42.1 78.3 28.1 274 63 B S 0 0 97 -6,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.265 360.0 360.0 71.5 360.0 39.4 75.6 28.7 275 ! 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 0.0 276 77 B N 0 0 177 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 134.7 37.8 81.0 31.2 277 78 B G - 0 0 39 -7,-0.2 2,-0.2 1,-0.0 -159,-0.0 -0.648 360.0 -24.0-155.5-147.0 40.0 82.7 28.6 278 79 B G - 0 0 24 -2,-0.2 -6,-2.1 1,-0.0 2,-0.9 -0.572 41.3-134.2 -90.5 149.2 40.3 84.4 25.2 279 80 B N > + 0 0 32 -2,-0.2 4,-2.1 -8,-0.2 -9,-0.2 -0.749 21.8 177.4-103.0 87.8 38.1 84.1 22.2 280 81 B V H > S+ 0 0 0 -2,-0.9 4,-1.9 -11,-0.5 -10,-0.2 0.795 80.0 59.7 -61.1 -29.8 40.3 83.6 19.1 281 82 B L H > S+ 0 0 10 -12,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.968 108.1 43.9 -63.8 -49.6 37.3 83.2 16.8 282 83 B Q H > S+ 0 0 73 1,-0.2 4,-3.0 -13,-0.2 5,-0.2 0.893 108.4 58.9 -61.1 -40.7 36.0 86.6 17.8 283 84 B M H X S+ 0 0 41 -4,-2.1 4,-2.6 1,-0.2 8,-0.3 0.903 104.6 50.9 -55.8 -43.3 39.5 88.2 17.5 284 85 B M H < S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.863 113.0 46.0 -63.2 -37.3 39.6 87.1 13.8 285 86 B Y H < S+ 0 0 59 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.922 113.4 47.2 -72.9 -43.9 36.3 88.6 13.1 286 87 B E H < S+ 0 0 141 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.918 136.4 7.4 -64.8 -44.5 37.0 91.9 14.9 287 88 B K >X + 0 0 119 -4,-2.6 4,-1.7 -5,-0.2 3,-1.6 -0.553 69.3 166.4-141.6 75.4 40.4 92.4 13.3 288 89 B P H 3> S+ 0 0 34 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.872 72.8 67.5 -56.2 -45.6 41.1 89.8 10.5 289 90 B E H 34 S+ 0 0 104 1,-0.2 58,-0.1 2,-0.2 -5,-0.1 0.622 114.9 34.4 -55.3 -6.4 44.1 91.5 9.0 290 91 B R H <4 S+ 0 0 33 -3,-1.6 4,-0.4 -7,-0.2 -1,-0.2 0.733 129.1 26.7-115.8 -38.3 45.8 90.6 12.3 291 92 B W H X S+ 0 0 27 -4,-1.7 4,-2.7 -8,-0.3 5,-0.3 0.391 87.8 97.1-111.8 3.6 44.4 87.3 13.5 292 93 B S H X S+ 0 0 0 -4,-2.6 4,-1.9 53,-0.3 5,-0.1 0.892 93.8 42.2 -59.0 -38.1 43.4 85.6 10.3 293 94 B F H > S+ 0 0 8 -5,-0.3 4,-2.0 52,-0.3 5,-0.2 0.989 113.6 48.0 -71.2 -61.0 46.7 83.7 10.4 294 95 B T H > S+ 0 0 1 -4,-0.4 4,-2.2 1,-0.2 5,-0.2 0.893 118.7 42.9 -45.5 -49.6 46.9 82.9 14.1 295 96 B F H X S+ 0 0 10 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.989 109.9 52.3 -61.0 -66.1 43.3 81.6 14.0 296 97 B Q H X S+ 0 0 8 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.744 113.2 48.7 -43.3 -30.8 43.4 79.7 10.7 297 98 B T H X S+ 0 0 14 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.962 113.0 43.2 -76.1 -57.0 46.5 77.9 12.1 298 99 B Y H X S+ 0 0 4 -4,-2.2 4,-3.4 -5,-0.2 5,-0.2 0.909 112.3 57.7 -54.0 -43.9 45.1 76.9 15.5 299 100 B A H X S+ 0 0 2 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.920 109.6 40.9 -55.1 -50.3 41.8 76.0 13.8 300 101 B C H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.3 -1,-0.2 0.888 115.4 51.5 -69.5 -36.6 43.4 73.4 11.5 301 102 B L H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.979 109.4 50.3 -60.9 -54.2 45.7 72.1 14.3 302 103 B S H X S+ 0 0 9 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.806 109.4 52.0 -52.4 -37.2 42.7 71.6 16.6 303 104 B R H X S+ 0 0 5 -4,-1.6 4,-3.0 -5,-0.2 5,-0.3 0.955 108.9 48.1 -68.0 -51.0 40.8 69.7 13.9 304 105 B I H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.954 109.4 53.8 -54.7 -49.2 43.6 67.3 13.2 305 106 B R H X S+ 0 0 56 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.882 114.6 43.0 -51.9 -40.3 44.1 66.6 16.9 306 107 B A H X S+ 0 0 29 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.890 113.8 46.6 -74.6 -44.5 40.3 65.9 17.1 307 108 B Q H X S+ 0 0 5 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.937 111.7 52.8 -65.6 -44.7 39.9 63.7 14.0 308 109 B L H < S+ 0 0 28 -4,-2.9 4,-0.3 -5,-0.3 -1,-0.2 0.834 109.5 50.7 -58.8 -35.2 43.0 61.7 14.9 309 110 B A H >< S+ 0 0 43 -4,-1.0 3,-4.1 -5,-0.3 4,-0.5 0.996 106.7 48.8 -66.6 -66.0 41.6 61.0 18.3 310 111 B S H >< S+ 0 0 41 -4,-1.9 3,-0.5 1,-0.3 -1,-0.2 0.678 102.5 70.4 -49.1 -14.9 38.1 59.8 17.4 311 112 B L T 3< S+ 0 0 24 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.697 102.0 40.3 -76.5 -22.2 40.1 57.6 15.0 312 113 B N T < S+ 0 0 113 -3,-4.1 -1,-0.2 -4,-0.3 -2,-0.2 0.258 95.7 116.7-108.5 10.5 41.5 55.5 17.9 313 114 B G S X S- 0 0 26 -3,-0.5 3,-1.6 -4,-0.5 4,-0.2 0.022 88.2 -84.1 -70.4 179.3 38.2 55.4 19.8 314 115 B K G > S+ 0 0 79 1,-0.3 3,-2.3 2,-0.2 4,-0.1 0.865 122.5 72.1 -52.3 -40.5 36.0 52.4 20.7 315 116 B L G > S+ 0 0 8 1,-0.3 3,-2.6 2,-0.2 -1,-0.3 0.830 78.0 81.7 -43.5 -38.9 34.4 52.7 17.2 316 117 B K G < S+ 0 0 45 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.695 92.1 46.1 -41.0 -31.3 37.7 51.4 15.8 317 118 B D G < S+ 0 0 61 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.160 88.0 108.3-105.6 18.8 36.7 47.8 16.7 318 119 B A S < S- 0 0 27 -3,-2.6 -60,-0.0 -4,-0.1 -3,-0.0 -0.166 72.7-113.5 -83.1-175.3 33.1 47.6 15.3 319 120 B E S S+ 0 0 150 1,-0.2 -1,-0.1 -2,-0.0 -4,-0.0 0.963 100.5 12.2 -86.4 -61.7 32.0 45.8 12.2 320 121 B K S S- 0 0 109 2,-0.0 -1,-0.2 -88,-0.0 -62,-0.1 -0.641 88.1-178.8-120.4 70.6 30.9 48.2 9.5 321 122 B P - 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