==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JAN-11 3QEJ . COMPND 2 MOLECULE: DEOXYCYTIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HAZRA,A.LAVIE . 468 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 9.4 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 . 33 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.0 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 0 0 4 2 0 1 0 5 0 0 0 4 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 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 19 A T 0 0 109 0, 0.0 86,-0.0 0, 0.0 144,-0.0 0.000 360.0 360.0 360.0 141.3 -9.7 -0.0 -22.4 2 20 A R + 0 0 160 2,-0.1 2,-0.4 94,-0.0 0, 0.0 0.325 360.0 96.0-106.7 -0.7 -12.7 -1.8 -24.1 3 21 A I S S- 0 0 16 93,-0.1 2,-0.5 84,-0.1 95,-0.2 -0.761 77.4-128.7 -87.8 134.9 -14.7 1.4 -24.0 4 22 A K E -a 98 0A 60 93,-2.9 95,-3.9 -2,-0.4 2,-0.6 -0.755 19.9-154.8 -86.8 129.8 -14.5 3.5 -27.2 5 23 A K E +a 99 0A 11 -2,-0.5 143,-2.8 141,-0.3 144,-1.1 -0.934 16.0 175.2-111.7 118.4 -13.6 7.1 -26.7 6 24 A I E -ab 100 149A 0 93,-2.7 95,-3.6 -2,-0.6 2,-0.4 -0.976 16.6-150.1-118.3 130.3 -14.8 9.6 -29.2 7 25 A S E -ab 101 150A 0 142,-1.7 144,-2.8 -2,-0.4 2,-0.6 -0.793 8.2-142.4 -94.2 146.7 -14.2 13.3 -28.9 8 26 A I E -ab 102 151A 0 93,-3.1 95,-2.3 -2,-0.4 2,-0.2 -0.957 27.9-174.5-105.8 119.6 -16.6 15.8 -30.4 9 27 A E E + b 0 152A 0 142,-3.0 144,-2.2 -2,-0.6 2,-0.2 -0.632 17.5 108.3-112.0 167.5 -14.7 18.8 -31.7 10 28 A G - 0 0 0 -2,-0.2 3,-0.1 142,-0.2 144,-0.1 -0.663 56.9 -47.9 140.7 164.6 -15.7 22.2 -33.2 11 29 A N S > S- 0 0 4 142,-0.5 3,-2.1 -2,-0.2 4,-0.3 0.056 70.1 -77.5 -62.7 161.8 -16.0 25.9 -33.0 12 30 A I T 3 S+ 0 0 26 1,-0.3 152,-0.2 2,-0.1 -1,-0.2 -0.396 120.5 7.1 -56.3 132.9 -17.5 27.8 -30.2 13 31 A A T 3 S+ 0 0 7 -3,-0.1 -1,-0.3 150,-0.1 -2,-0.1 0.521 88.3 129.5 71.2 6.6 -21.3 27.6 -30.4 14 32 A A S < S- 0 0 0 -3,-2.1 -2,-0.1 139,-0.1 -1,-0.1 0.820 86.4 -92.7 -61.1 -32.0 -21.1 25.1 -33.3 15 33 A G S > S+ 0 0 11 -4,-0.3 4,-3.0 -5,-0.1 5,-0.3 0.495 81.9 133.6 132.6 12.4 -23.5 22.7 -31.5 16 34 A K H > S+ 0 0 9 -5,-0.3 4,-3.6 1,-0.2 5,-0.2 0.927 76.5 46.0 -61.5 -53.4 -21.3 20.3 -29.5 17 35 A S H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 115.5 48.5 -54.8 -48.7 -23.2 20.5 -26.2 18 36 A T H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.926 115.7 43.0 -56.7 -47.0 -26.6 20.1 -28.1 19 37 A F H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.924 111.2 54.5 -71.4 -40.8 -25.3 17.2 -30.1 20 38 A V H X S+ 0 0 0 -4,-3.6 4,-2.1 -5,-0.3 -1,-0.2 0.881 110.2 46.4 -61.7 -36.9 -23.6 15.5 -27.1 21 39 A N H X S+ 0 0 62 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.766 108.9 55.5 -77.8 -29.2 -26.9 15.6 -25.1 22 40 A I H >X S+ 0 0 18 -4,-1.7 3,-0.7 -5,-0.2 4,-0.5 0.968 109.5 47.4 -56.1 -53.5 -28.8 14.3 -28.0 23 41 A L H >X S+ 0 0 0 -4,-2.6 3,-2.5 1,-0.2 4,-0.5 0.942 100.9 64.8 -58.5 -54.8 -26.4 11.3 -28.1 24 42 A K H >< S+ 0 0 88 -4,-2.1 3,-0.8 1,-0.3 6,-0.3 0.805 104.0 47.1 -27.7 -50.9 -26.6 10.5 -24.4 25 43 A Q H << S+ 0 0 162 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.562 95.6 71.4 -82.1 -12.9 -30.2 9.6 -24.6 26 44 A L H << S+ 0 0 66 -3,-2.5 2,-0.3 -4,-0.5 -1,-0.2 0.595 107.0 18.8 -85.5 -10.2 -30.2 7.4 -27.6 27 45 A S << - 0 0 43 -3,-0.8 3,-0.3 -4,-0.5 -1,-0.2 -0.985 52.7-142.8-162.8 149.3 -28.5 4.5 -25.9 28 46 A E S S+ 0 0 175 -2,-0.3 63,-0.2 1,-0.2 66,-0.1 0.576 110.6 57.9 -84.4 -20.3 -27.6 3.0 -22.5 29 47 A D S S+ 0 0 30 68,-0.1 69,-2.7 -3,-0.1 2,-0.5 0.465 94.6 84.3 -82.5 -6.9 -24.3 2.1 -24.0 30 48 A W E +c 98 0A 20 -3,-0.3 2,-0.3 -6,-0.3 -3,-0.2 -0.874 57.2 173.8-108.6 129.1 -23.6 5.8 -24.9 31 49 A E E -c 99 0A 48 67,-2.4 69,-3.6 -2,-0.5 2,-0.4 -0.974 15.8-143.0-139.3 149.5 -22.2 8.1 -22.3 32 50 A V E -c 100 0A 5 -2,-0.3 69,-0.2 67,-0.2 67,-0.0 -0.851 11.7-161.5-120.3 141.6 -21.0 11.7 -22.1 33 51 A V E -c 101 0A 5 67,-2.5 69,-2.3 -2,-0.4 50,-0.1 -0.903 28.0-148.2-110.9 98.7 -18.2 13.7 -20.5 34 52 A P - 0 0 78 0, 0.0 48,-0.0 0, 0.0 67,-0.0 -0.317 32.2 -91.2 -63.8 149.9 -19.3 17.4 -20.7 35 53 A E >> - 0 0 18 1,-0.1 4,-1.3 2,-0.1 3,-0.9 -0.463 31.8-137.6 -64.3 125.3 -16.5 19.9 -21.0 36 54 A P H 3> S+ 0 0 9 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.854 103.2 55.3 -56.7 -38.5 -15.6 21.0 -17.4 37 55 A V H 3> S+ 0 0 22 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.837 99.9 61.7 -64.6 -32.6 -15.3 24.7 -18.4 38 56 A A H X> S+ 0 0 25 -3,-0.9 3,-0.8 1,-0.2 4,-0.6 0.955 102.0 51.8 -52.2 -54.6 -18.9 24.5 -19.7 39 57 A R H 3< S+ 0 0 37 -4,-1.3 3,-0.4 1,-0.2 -2,-0.2 0.930 106.3 54.6 -44.2 -57.1 -20.0 23.6 -16.2 40 58 A W H 3< S+ 0 0 10 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.765 93.0 74.1 -51.2 -36.7 -18.2 26.7 -14.8 41 59 A S H << S+ 0 0 25 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.1 0.905 76.4 81.4 -49.9 -65.2 -19.9 29.2 -17.1 42 60 A N < 0 0 111 -4,-0.6 127,-0.0 -3,-0.4 12,-0.0 0.233 360.0 360.0 -50.1 160.6 -23.5 29.6 -15.7 43 61 A V 0 0 150 11,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.329 360.0 360.0 -69.9 360.0 -24.7 31.7 -12.7 44 ! 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 45 70 A E 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.8 -24.4 23.5 -5.8 46 71 A L + 0 0 160 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.405 360.0 164.4-139.4 -67.1 -21.1 24.8 -4.3 47 72 A T > - 0 0 65 3,-0.1 4,-2.4 2,-0.1 5,-0.2 0.911 40.1-130.6 27.3 129.2 -18.1 22.8 -5.5 48 73 A M H > S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.855 108.0 52.5 -63.2 -41.0 -14.4 23.9 -5.3 49 74 A E H > S+ 0 0 35 1,-0.2 4,-4.1 2,-0.2 -1,-0.2 0.924 112.9 47.5 -60.8 -39.7 -13.6 23.2 -8.9 50 75 A Q H > S+ 0 0 74 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.845 109.7 50.3 -73.9 -34.6 -16.5 25.4 -9.8 51 76 A K H X S+ 0 0 143 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.935 117.9 41.1 -63.9 -48.8 -15.6 28.2 -7.5 52 77 A N H X S+ 0 0 5 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.964 117.0 48.6 -58.0 -56.0 -12.1 28.1 -8.9 53 78 A G H X S+ 0 0 0 -4,-4.1 4,-2.5 -5,-0.2 -2,-0.2 0.897 110.9 50.0 -53.6 -48.6 -13.3 27.7 -12.5 54 79 A G H X S+ 0 0 27 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.939 114.1 46.1 -52.7 -51.6 -15.9 30.5 -12.2 55 80 A N H X S+ 0 0 58 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.922 115.1 42.9 -62.4 -50.5 -13.2 32.8 -10.8 56 81 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.863 111.6 56.5 -70.0 -32.4 -10.5 32.1 -13.3 57 82 A L H X S+ 0 0 19 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.891 111.1 42.5 -62.7 -41.6 -12.9 32.1 -16.2 58 83 A Q H X S+ 0 0 124 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.859 112.1 53.0 -74.6 -37.3 -14.1 35.6 -15.4 59 84 A M H X S+ 0 0 40 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.882 106.0 57.7 -62.7 -36.4 -10.5 36.8 -14.7 60 85 A M H < S+ 0 0 25 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.924 105.7 47.0 -55.7 -51.1 -9.8 35.4 -18.2 61 86 A Y H < S+ 0 0 109 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 117.1 45.4 -60.9 -33.4 -12.5 37.7 -19.7 62 87 A E H < S+ 0 0 151 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.808 136.0 1.0 -79.3 -30.5 -11.0 40.6 -17.8 63 88 A K >X + 0 0 108 -4,-2.4 3,-1.5 -5,-0.1 4,-1.4 -0.490 58.4 175.2-163.7 76.2 -7.3 40.0 -18.5 64 89 A P H 3> S+ 0 0 42 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.743 80.7 62.7 -59.7 -26.1 -6.3 37.0 -20.7 65 90 A E H 34 S+ 0 0 92 1,-0.2 58,-0.2 2,-0.2 -5,-0.1 0.532 111.4 38.4 -81.8 -6.9 -2.6 37.9 -20.7 66 91 A R H <4 S+ 0 0 30 -3,-1.5 -1,-0.2 -7,-0.2 4,-0.2 0.599 127.8 31.2-108.1 -26.0 -2.4 37.4 -16.9 67 92 A W H X S+ 0 0 21 -4,-1.4 4,-2.9 -8,-0.2 5,-0.3 0.407 86.6 93.9-120.4 4.4 -4.7 34.3 -16.7 68 93 A S H X S+ 0 0 0 -4,-1.7 4,-3.0 53,-0.4 5,-0.3 0.939 90.9 46.3 -64.5 -45.5 -4.4 32.3 -19.9 69 94 A F H > S+ 0 0 2 52,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.910 117.1 43.4 -65.4 -41.3 -1.8 30.0 -18.5 70 95 A T H > S+ 0 0 2 -4,-0.2 4,-2.0 2,-0.2 5,-0.2 0.921 116.7 47.1 -71.1 -42.8 -3.6 29.4 -15.2 71 96 A F H X S+ 0 0 18 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.953 115.0 44.5 -61.5 -48.7 -7.0 29.0 -16.9 72 97 A Q H X S+ 0 0 7 -4,-3.0 4,-1.8 -5,-0.3 -1,-0.2 0.845 111.8 53.4 -71.3 -33.0 -5.7 26.6 -19.6 73 98 A T H X S+ 0 0 4 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.930 117.5 37.2 -62.6 -44.7 -3.7 24.6 -17.0 74 99 A Y H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.860 112.4 56.1 -76.3 -41.8 -6.8 24.1 -14.8 75 100 A A H X S+ 0 0 2 -4,-3.3 4,-1.2 -5,-0.2 -3,-0.2 0.922 112.6 46.2 -55.4 -42.2 -9.3 23.7 -17.7 76 101 A C H >X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 3,-0.6 0.952 110.8 48.0 -67.0 -55.4 -7.0 20.9 -18.9 77 102 A L H 3X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.899 110.7 54.1 -50.1 -46.2 -6.6 19.1 -15.5 78 103 A S H 3X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.852 109.1 48.4 -56.9 -37.1 -10.3 19.2 -14.9 79 104 A R H X S+ 0 0 13 -4,-1.7 4,-1.3 2,-0.2 3,-0.5 0.864 111.0 57.5 -74.6 -39.3 -16.1 8.3 -16.4 87 112 A L H 3< S+ 0 0 16 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.880 117.5 36.0 -56.9 -35.9 -13.7 5.9 -18.1 88 113 A N H 3< S+ 0 0 100 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.502 124.7 36.8 -97.7 -8.0 -13.5 4.1 -14.7 89 114 A G H << S+ 0 0 50 -4,-0.6 2,-0.3 -3,-0.5 -2,-0.2 0.321 105.6 63.3-131.1 4.4 -17.0 4.4 -13.3 90 115 A K S < S+ 0 0 65 -4,-1.3 -59,-0.1 1,-0.2 9,-0.0 -0.859 88.8 20.6-132.4 163.2 -19.3 4.1 -16.3 91 116 A L + 0 0 15 -2,-0.3 -1,-0.2 -63,-0.2 -60,-0.0 0.809 68.1 138.5 53.3 41.6 -20.4 1.6 -19.0 92 117 A K S S+ 0 0 142 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.898 75.9 37.4 -83.3 -39.8 -19.2 -1.4 -17.1 93 118 A D S S+ 0 0 148 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.400 93.7 114.9 -86.9 -0.1 -22.2 -3.7 -18.0 94 119 A A - 0 0 2 1,-0.1 -65,-0.0 -66,-0.1 -4,-0.0 -0.551 53.3-157.5 -81.5 138.8 -22.5 -2.2 -21.5 95 120 A E S S+ 0 0 176 1,-0.3 -1,-0.1 -2,-0.3 -66,-0.0 0.880 94.0 28.3 -82.6 -40.3 -21.9 -4.6 -24.5 96 121 A K S S- 0 0 150 2,-0.1 2,-0.5 -93,-0.0 -1,-0.3 -0.672 88.2-170.0-112.8 75.1 -21.1 -1.8 -27.0 97 122 A P + 0 0 8 0, 0.0 -93,-2.9 0, 0.0 2,-0.4 -0.529 8.7 176.9 -80.0 121.7 -19.6 0.9 -24.7 98 123 A V E -ac 4 30A 4 -69,-2.7 -67,-2.4 -2,-0.5 2,-0.6 -0.979 13.3-162.2-118.2 131.1 -19.0 4.4 -26.2 99 124 A L E -ac 5 31A 0 -95,-3.9 -93,-2.7 -2,-0.4 2,-0.7 -0.935 8.4-156.2-108.2 117.8 -17.8 7.4 -24.3 100 125 A F E -ac 6 32A 0 -69,-3.6 -67,-2.5 -2,-0.6 2,-0.6 -0.856 6.7-159.1 -95.9 115.6 -18.3 10.8 -26.0 101 126 A F E -ac 7 33A 1 -95,-3.6 -93,-3.1 -2,-0.7 2,-1.1 -0.835 17.3-133.8 -91.6 122.9 -15.9 13.5 -24.8 102 127 A E E S-a 8 0A 12 -69,-2.3 -93,-0.1 -2,-0.6 -95,-0.1 -0.669 78.9 -32.3 -72.0 104.9 -17.0 17.0 -25.4 103 128 A R S S- 0 0 15 -95,-2.3 2,-0.3 -2,-1.1 -95,-0.2 -0.010 81.2-125.4 69.8-179.7 -13.8 18.4 -26.8 104 129 A S > - 0 0 2 -97,-0.1 4,-1.6 -69,-0.0 5,-0.1 -0.894 26.5 -88.8-151.1-178.7 -10.4 17.0 -25.7 105 130 A V H > S+ 0 0 3 -2,-0.3 4,-1.4 1,-0.2 5,-0.2 0.667 122.1 60.4 -69.6 -15.6 -6.9 17.6 -24.4 106 131 A Y H > S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.910 105.5 43.0 -81.9 -41.8 -5.8 18.1 -28.0 107 132 A S H >>S+ 0 0 0 3,-0.2 5,-2.5 2,-0.2 4,-1.1 0.800 108.8 62.5 -72.1 -25.8 -8.2 21.0 -28.7 108 133 A D H <>S+ 0 0 4 -4,-1.6 5,-2.7 3,-0.2 -2,-0.2 0.963 119.7 23.2 -55.3 -53.0 -7.1 22.4 -25.2 109 134 A R H <>S+ 0 0 5 -4,-1.4 5,-2.6 3,-0.2 -2,-0.2 0.965 128.8 40.6 -78.2 -58.5 -3.6 22.7 -26.4 110 135 A Y H <5S+ 0 0 22 -4,-2.9 -3,-0.2 3,-0.2 -2,-0.1 0.571 129.2 21.6 -83.3 -11.9 -3.7 22.9 -30.2 111 136 A I T X5S+ 0 0 0 -4,-1.1 4,-2.2 -5,-0.4 -3,-0.2 0.713 132.8 26.5-111.6 -63.5 -6.7 25.2 -30.7 112 137 A F H >S+ 0 0 20 -4,-2.2 5,-3.1 1,-0.2 6,-1.1 0.827 111.0 47.5 -59.0 -35.8 -3.8 32.4 -26.7 117 142 A Y H ><5S+ 0 0 72 -4,-2.3 3,-1.9 -3,-0.3 -1,-0.2 0.922 110.5 51.7 -70.6 -43.7 -0.1 32.1 -27.3 118 143 A E H 3<5S+ 0 0 107 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.770 109.8 50.5 -63.4 -24.8 -0.6 33.5 -30.9 119 144 A S T 3<5S- 0 0 53 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.357 117.5-118.7 -87.1 2.3 -2.6 36.4 -29.3 120 145 A E T < 5S+ 0 0 159 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.754 81.0 125.4 61.2 24.6 0.4 36.9 -26.9 121 146 A S S - 0 0 60 -2,-0.4 4,-2.8 -58,-0.2 5,-0.3 -0.289 38.6 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0.430 94.4 83.9 -84.9 -5.7 23.7 1.7 -3.3 266 48 B W E < +g 334 0B 21 -3,-0.5 2,-0.3 -6,-0.3 -3,-0.2 -0.900 57.1 173.4-112.4 128.7 23.2 5.4 -2.6 267 49 B E E -g 335 0B 50 67,-2.4 69,-3.6 -2,-0.5 2,-0.3 -0.973 16.1-142.0-141.4 146.6 21.8 7.7 -5.3 268 50 B V E -g 336 0B 4 -2,-0.3 69,-0.2 67,-0.2 67,-0.0 -0.834 11.4-161.2-117.1 141.9 20.6 11.3 -5.5 269 51 B V E -g 337 0B 5 67,-2.7 69,-2.4 -2,-0.3 50,-0.1 -0.908 27.5-148.7-110.1 99.8 17.8 13.3 -7.2 270 52 B P - 0 0 78 0, 0.0 48,-0.0 0, 0.0 -17,-0.0 -0.339 31.7 -93.0 -64.1 151.0 19.0 16.9 -7.2 271 53 B E >> - 0 0 18 1,-0.1 4,-1.2 2,-0.1 3,-1.1 -0.494 31.2-136.3 -68.0 127.6 16.3 19.6 -6.9 272 54 B P H 3> S+ 0 0 8 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.874 103.3 55.7 -55.0 -42.2 15.3 20.6 -10.5 273 55 B V H 3> S+ 0 0 21 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.797 99.4 62.0 -63.7 -28.4 15.2 24.3 -9.6 274 56 B A H X> S+ 0 0 24 -3,-1.1 3,-0.7 2,-0.2 4,-0.6 0.957 102.7 51.0 -55.9 -52.3 18.8 24.0 -8.4 275 57 B R H >< S+ 0 0 37 -4,-1.2 3,-0.6 -3,-0.3 -2,-0.2 0.942 106.0 55.1 -45.3 -60.7 19.8 23.0 -12.0 276 58 B W H 3< S+ 0 0 9 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.731 92.2 75.1 -46.6 -37.4 18.0 26.1 -13.5 277 59 B S H << S+ 0 0 23 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.1 0.894 87.8 54.2 -50.6 -61.5 19.9 28.6 -11.4 278 60 B N << - 0 0 103 -4,-0.6 2,-0.0 -3,-0.6 127,-0.0 0.255 57.5-172.1 -64.5-170.4 23.4 28.7 -13.0 279 61 B V 0 0 135 11,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.068 360.0 360.0-144.1 -96.0 24.3 29.4 -16.7 280 62 B Q 0 0 149 -2,-0.0 -2,-0.0 0, 0.0 0, 0.0 -0.292 360.0 360.0 46.5 360.0 27.8 29.1 -18.3 281 ! 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 0.0 282 71 B L 0 0 140 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 47.4 19.9 24.6 -23.6 283 72 B T > - 0 0 70 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.411 360.0-117.6 -52.3 142.7 17.5 21.8 -22.5 284 73 B M H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.833 112.4 51.8 -61.3 -39.3 13.9 22.9 -22.7 285 74 B E H > S+ 0 0 37 1,-0.2 4,-3.7 2,-0.2 -1,-0.2 0.912 112.6 48.5 -62.0 -38.5 13.1 22.5 -19.0 286 75 B Q H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.813 109.2 49.5 -77.7 -30.9 16.1 24.6 -18.2 287 76 B K H X S+ 0 0 132 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.957 117.8 42.4 -65.9 -50.9 15.2 27.4 -20.7 288 77 B N H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.947 116.2 49.1 -53.0 -52.3 11.7 27.4 -19.1 289 78 B G H X S+ 0 0 0 -4,-3.7 4,-2.0 1,-0.2 -3,-0.2 0.876 111.2 47.9 -64.5 -42.5 13.1 27.1 -15.6 290 79 B G H X S+ 0 0 25 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.921 114.0 48.4 -59.0 -45.6 15.6 29.8 -16.0 291 80 B N H X S+ 0 0 58 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.961 115.1 41.3 -65.3 -52.3 13.0 32.2 -17.5 292 81 B V H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.846 112.2 56.9 -66.4 -31.4 10.4 31.6 -14.9 293 82 B L H X S+ 0 0 19 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.886 110.9 42.4 -66.9 -39.2 12.9 31.7 -12.0 294 83 B Q H X S+ 0 0 123 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.841 111.9 53.7 -76.8 -35.2 14.2 35.1 -13.0 295 84 B M H X S+ 0 0 35 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.861 105.7 57.7 -62.4 -34.3 10.6 36.4 -13.6 296 85 B M H < S+ 0 0 27 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.938 106.0 46.4 -59.0 -50.1 10.0 35.1 -10.1 297 86 B Y H < S+ 0 0 110 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.865 116.8 45.9 -59.6 -34.5 12.7 37.4 -8.7 298 87 B E H < S+ 0 0 149 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.801 135.6 0.8 -81.6 -28.5 11.3 40.3 -10.7 299 88 B K >X + 0 0 107 -4,-2.3 3,-1.6 -5,-0.1 4,-1.4 -0.468 59.0 175.3-165.0 76.4 7.6 39.8 -9.9 300 89 B P H 3> S+ 0 0 43 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.730 79.6 63.8 -60.6 -26.2 6.5 37.0 -7.5 301 90 B E H 34 S+ 0 0 94 1,-0.2 58,-0.2 2,-0.2 -5,-0.1 0.552 111.7 37.1 -79.7 -7.1 2.8 38.0 -7.4 302 91 B R H <4 S+ 0 0 24 -3,-1.6 4,-0.3 -7,-0.2 -1,-0.2 0.619 127.8 32.4-109.7 -29.0 2.6 37.2 -11.2 303 92 B W H X S+ 0 0 20 -4,-1.4 4,-3.3 -8,-0.2 5,-0.3 0.538 86.9 92.8-114.5 -4.1 4.8 34.2 -11.4 304 93 B S H X S+ 0 0 0 -4,-2.1 4,-2.5 53,-0.4 5,-0.2 0.897 91.5 46.8 -58.1 -43.9 4.5 32.2 -8.1 305 94 B F H > S+ 0 0 2 52,-0.3 4,-2.2 -5,-0.2 -1,-0.2 0.942 117.0 42.3 -65.1 -45.6 1.8 30.0 -9.4 306 95 B T H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 5,-0.2 0.912 116.8 48.4 -68.7 -41.3 3.6 29.2 -12.6 307 96 B F H X S+ 0 0 17 -4,-3.3 4,-2.9 1,-0.2 5,-0.2 0.943 114.7 43.9 -64.0 -45.3 6.9 28.8 -11.0 308 97 B Q H X S+ 0 0 6 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.805 111.7 53.6 -77.4 -29.0 5.7 26.5 -8.3 309 98 B T H X S+ 0 0 3 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.946 116.7 38.6 -63.6 -46.9 3.5 24.4 -10.7 310 99 B Y H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.835 112.1 55.5 -76.0 -37.5 6.6 23.8 -12.9 311 100 B A H X S+ 0 0 0 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.930 112.7 45.8 -57.6 -44.2 9.1 23.4 -10.1 312 101 B C H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.929 111.0 48.5 -67.9 -48.3 6.9 20.7 -8.8 313 102 B L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.865 111.2 53.4 -57.0 -38.9 6.2 18.8 -12.0 314 103 B S H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.848 109.6 47.2 -64.7 -39.6 9.9 18.9 -12.7 315 104 B R H X S+ 0 0 0 -4,-1.5 4,-3.2 2,-0.2 5,-0.3 0.933 110.5 52.0 -64.2 -51.4 10.6 17.3 -9.3 316 105 B I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.901 114.9 41.9 -57.5 -41.8 7.9 14.6 -9.8 317 106 B R H X S+ 0 0 62 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.867 113.1 51.8 -78.5 -36.0 9.3 13.6 -13.1 318 107 B A H X S+ 0 0 32 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.909 113.3 46.0 -62.7 -42.6 13.0 13.8 -12.1 319 108 B Q H X S+ 0 0 5 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.924 112.6 49.6 -68.0 -43.3 12.2 11.5 -9.0 320 109 B L H X S+ 0 0 21 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.910 107.4 56.7 -55.0 -43.5 10.2 9.1 -11.2 321 110 B A H X S+ 0 0 63 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.922 114.0 37.4 -56.0 -48.6 13.1 8.9 -13.7 322 111 B S H X S+ 0 0 13 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.819 110.9 59.6 -73.1 -35.2 15.5 7.8 -11.0 323 112 B L H < S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.874 117.4 33.7 -60.3 -34.2 13.0 5.6 -9.2 324 113 B N H < S+ 0 0 98 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.532 125.3 37.7 -99.6 -12.2 12.6 3.6 -12.4 325 114 B G H < S+ 0 0 53 -4,-0.9 2,-0.3 -5,-0.2 3,-0.2 0.371 105.3 65.8-123.1 -0.2 16.1 3.8 -13.9 326 115 B K S < S+ 0 0 65 -4,-1.4 -59,-0.0 1,-0.2 9,-0.0 -0.829 88.8 18.4-125.5 160.9 18.5 3.5 -11.0 327 116 B L + 0 0 19 -2,-0.3 -1,-0.2 -63,-0.1 -60,-0.0 0.823 67.6 139.2 56.3 41.3 19.6 1.1 -8.3 328 117 B K S S+ 0 0 142 -3,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.926 75.6 38.1 -80.3 -44.8 18.3 -2.0 -9.9 329 118 B D S S+ 0 0 149 2,-0.0 2,-0.2 0, 0.0 -1,-0.2 0.461 93.7 114.9 -81.3 -2.1 21.3 -4.3 -9.1 330 119 B A - 0 0 2 1,-0.1 -65,-0.0 -66,-0.1 -4,-0.0 -0.518 53.0-157.8 -78.7 138.6 21.7 -2.7 -5.6 331 120 B E S S+ 0 0 175 1,-0.3 -1,-0.1 -2,-0.2 -66,-0.0 0.862 94.4 26.9 -81.5 -40.4 21.1 -4.9 -2.5 332 121 B K S S- 0 0 153 2,-0.0 2,-0.5 -93,-0.0 -1,-0.3 -0.636 88.3-171.3-115.7 73.4 20.4 -2.0 -0.1 333 122 B P + 0 0 8 0, 0.0 -93,-2.8 0, 0.0 2,-0.4 -0.525 7.3 178.1 -78.6 122.3 19.1 0.7 -2.5 334 123 B V E -eg 240 266B 4 -69,-2.8 -67,-2.4 -2,-0.5 2,-0.5 -0.976 13.4-161.4-121.4 129.9 18.6 4.2 -1.1 335 124 B L E -eg 241 267B 0 -95,-3.7 -93,-2.9 -2,-0.4 2,-0.6 -0.924 7.7-157.3-106.5 119.8 17.4 7.2 -3.1 336 125 B F E -eg 242 268B 0 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