==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-OCT-09 3KFX . COMPND 2 MOLECULE: DEOXYCYTIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HAZRA,A.LAVIE . 471 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 9.3 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 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 41.2 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 2 2 4 2 0 0 3 0 0 0 2 0 2 1 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 0 114 0, 0.0 82,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.5 13.7 14.0 -14.6 2 20 A R + 0 0 132 2,-0.1 2,-0.3 92,-0.0 0, 0.0 0.428 360.0 112.2 -86.6 -2.0 16.4 16.5 -13.6 3 21 A I S S- 0 0 2 91,-0.1 2,-0.4 89,-0.1 91,-0.2 -0.602 71.8-129.3 -66.2 126.4 14.1 19.2 -15.0 4 22 A K E -a 94 0A 74 89,-1.9 91,-3.2 -2,-0.3 2,-0.6 -0.661 20.3-151.4 -75.0 132.1 12.9 21.5 -12.1 5 23 A K E -a 95 0A 12 -2,-0.4 139,-3.8 137,-0.2 140,-1.3 -0.939 15.8-179.3-115.6 117.7 9.1 21.8 -12.3 6 24 A I E -ab 96 145A 0 89,-2.4 91,-3.3 -2,-0.6 2,-0.4 -0.965 15.6-146.6-118.0 124.4 7.6 25.0 -10.9 7 25 A S E -ab 97 146A 0 138,-2.0 140,-3.7 -2,-0.5 2,-0.6 -0.768 3.0-150.5 -88.9 134.5 3.9 25.7 -10.9 8 26 A I E -ab 98 147A 0 89,-2.9 91,-1.9 -2,-0.4 2,-0.3 -0.917 25.7-176.0-100.2 114.0 2.5 29.2 -11.3 9 27 A E E + b 0 148A 0 138,-3.4 140,-3.3 -2,-0.6 2,-0.2 -0.825 17.6 116.5-114.5 153.9 -0.7 29.4 -9.4 10 28 A G - 0 0 0 -2,-0.3 140,-0.1 138,-0.2 3,-0.1 -0.868 57.1 -67.3 164.8 168.1 -3.3 32.1 -9.1 11 29 A N S > S- 0 0 6 138,-0.5 3,-2.0 -2,-0.2 4,-0.3 -0.113 72.5 -64.6 -68.4 165.8 -6.9 33.2 -9.7 12 30 A I T 3 S+ 0 0 8 1,-0.3 148,-0.2 2,-0.1 -1,-0.2 -0.359 123.0 2.0 -52.5 129.7 -8.4 33.9 -13.2 13 31 A A T 3 S+ 0 0 6 146,-0.1 -1,-0.3 -3,-0.1 146,-0.1 0.631 85.3 134.0 56.5 24.4 -6.6 36.9 -14.8 14 32 A A S < S- 0 0 0 -3,-2.0 -2,-0.1 135,-0.1 -1,-0.1 0.838 84.2 -96.1 -61.8 -32.5 -4.2 37.4 -11.9 15 33 A G S > S+ 0 0 13 -4,-0.3 4,-2.7 134,-0.1 5,-0.2 0.573 78.7 138.4 124.0 21.1 -1.4 37.7 -14.5 16 34 A K H > S+ 0 0 13 -5,-0.3 4,-2.6 2,-0.2 5,-0.3 0.916 75.4 43.3 -68.4 -49.1 0.1 34.2 -14.7 17 35 A S H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 115.4 51.9 -62.3 -39.2 0.7 33.9 -18.5 18 36 A T H > S+ 0 0 63 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.957 113.9 42.7 -59.6 -50.1 2.0 37.5 -18.5 19 37 A F H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 3,-0.3 0.915 114.0 48.0 -63.5 -51.0 4.5 36.7 -15.7 20 38 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.858 108.8 55.8 -60.8 -36.1 5.7 33.3 -17.0 21 39 A N H < S+ 0 0 86 -4,-2.0 4,-0.5 -5,-0.3 -1,-0.2 0.837 111.9 43.9 -68.3 -32.3 6.2 34.8 -20.5 22 40 A I H >< S+ 0 0 66 -4,-1.4 3,-1.1 -3,-0.3 4,-0.4 0.940 113.4 50.6 -68.4 -54.4 8.4 37.5 -18.9 23 41 A L H >< S+ 0 0 0 -4,-3.1 3,-2.6 1,-0.2 4,-0.4 0.910 99.1 66.3 -47.1 -54.8 10.3 34.9 -16.8 24 42 A K G >< S+ 0 0 67 -4,-2.7 3,-0.9 1,-0.3 6,-0.4 0.770 93.4 60.3 -37.2 -41.9 10.9 32.6 -19.8 25 43 A Q G < S+ 0 0 137 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.665 83.1 81.0 -72.5 -17.2 13.3 35.2 -21.4 26 44 A L G < S+ 0 0 83 -3,-2.6 2,-0.3 -4,-0.4 -1,-0.2 0.853 106.7 5.7 -58.3 -40.6 15.7 35.3 -18.4 27 45 A S X - 0 0 36 -3,-0.9 3,-1.4 -4,-0.4 -1,-0.2 -0.998 57.3-131.5-144.3 152.0 17.5 32.1 -19.6 28 46 A E T 3 S+ 0 0 191 -2,-0.3 59,-0.1 1,-0.2 -1,-0.1 0.532 109.7 69.4 -66.7 -9.3 17.5 29.7 -22.5 29 47 A D T 3 S+ 0 0 34 64,-0.1 65,-2.4 63,-0.1 2,-0.5 0.579 87.2 84.4 -83.2 -9.0 17.3 27.1 -19.7 30 48 A W E < +c 94 0A 23 -3,-1.4 2,-0.3 -6,-0.4 65,-0.2 -0.837 53.8 170.8-105.8 125.5 13.8 28.2 -18.9 31 49 A E E -c 95 0A 58 63,-2.3 65,-3.1 -2,-0.5 2,-0.3 -0.840 18.0-140.4-124.4 167.3 10.7 27.0 -20.7 32 50 A V E -c 96 0A 15 -2,-0.3 65,-0.2 63,-0.2 63,-0.0 -0.949 7.8-157.8-128.8 144.1 6.9 27.3 -20.1 33 51 A V E -c 97 0A 5 63,-2.8 65,-2.8 -2,-0.3 46,-0.1 -0.900 25.2-160.5-116.8 100.6 3.9 25.0 -20.4 34 52 A P - 0 0 71 0, 0.0 44,-0.0 0, 0.0 65,-0.0 -0.347 30.2 -95.7 -72.6 159.0 0.9 27.3 -20.9 35 53 A E - 0 0 27 1,-0.1 2,-2.3 62,-0.0 3,-0.3 -0.595 38.2-122.1 -65.9 136.3 -2.7 26.1 -20.2 36 54 A P >> + 0 0 24 0, 0.0 4,-1.0 0, 0.0 3,-0.7 -0.371 53.5 155.6 -81.4 64.5 -4.0 25.0 -23.6 37 55 A V H 3> + 0 0 35 -2,-2.3 4,-1.9 1,-0.3 3,-0.3 0.830 66.2 59.9 -65.2 -32.9 -6.9 27.5 -23.4 38 56 A A H 3> S+ 0 0 69 -3,-0.3 4,-1.1 1,-0.2 -1,-0.3 0.862 101.8 54.1 -60.1 -37.8 -7.3 27.7 -27.2 39 57 A R H <4 S+ 0 0 58 -3,-0.7 -1,-0.2 1,-0.2 5,-0.2 0.792 107.6 52.3 -67.0 -29.1 -8.0 23.9 -27.2 40 58 A W H < S+ 0 0 14 -4,-1.0 13,-1.4 -3,-0.3 12,-1.3 0.852 112.5 41.9 -75.0 -36.7 -10.8 24.5 -24.6 41 59 A S H < S+ 0 0 37 -4,-1.9 2,-0.2 1,-0.2 -2,-0.2 0.562 125.3 37.7 -86.7 -8.7 -12.5 27.3 -26.7 42 60 A N S < S- 0 0 38 -4,-1.1 2,-0.3 -5,-0.2 -1,-0.2 -0.702 83.1-152.1-143.1 91.3 -12.1 25.3 -29.9 43 61 A V + 0 0 3 7,-3.2 7,-0.3 -3,-0.3 2,-0.3 -0.428 32.0 147.5 -74.1 122.4 -12.5 21.6 -29.4 44 62 A Q - 0 0 77 -2,-0.3 -2,-0.1 -5,-0.2 319,-0.0 -0.995 46.5 -97.6-155.8 148.7 -10.6 19.5 -31.9 45 63 A S 0 0 65 -2,-0.3 322,-0.1 325,-0.0 321,-0.0 -0.110 360.0 360.0 -60.4 162.6 -8.7 16.2 -32.4 46 64 A T 0 0 103 324,-0.0 328,-0.1 0, 0.0 -2,-0.1 -0.666 360.0 360.0 84.5 360.0 -4.9 16.0 -32.1 47 ! 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 48 77 A N 0 0 189 0, 0.0 -4,-0.1 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 104.4 -14.1 25.0 -36.1 49 78 A G - 0 0 32 1,-0.2 -5,-0.1 314,-0.0 314,-0.1 -0.000 360.0 -54.3 -93.7-167.2 -15.3 23.0 -33.1 50 79 A G - 0 0 21 -7,-0.3 -7,-3.2 -8,-0.1 2,-0.8 -0.258 38.6-131.3 -68.7 153.7 -17.2 23.3 -29.9 51 80 A N > + 0 0 34 -9,-0.2 4,-2.2 1,-0.2 -10,-0.2 -0.834 28.0 174.4-106.9 91.4 -16.4 25.8 -27.2 52 81 A V H > S+ 0 0 0 -12,-1.3 4,-2.3 -2,-0.8 -11,-0.2 0.791 78.0 59.7 -74.7 -23.0 -16.4 23.7 -24.1 53 82 A L H > S+ 0 0 8 -13,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.954 109.9 42.0 -62.3 -52.1 -15.2 26.7 -22.0 54 83 A Q H > S+ 0 0 64 2,-0.2 4,-3.1 -14,-0.2 5,-0.3 0.901 112.0 55.4 -59.0 -43.0 -18.3 28.6 -23.0 55 84 A M H X S+ 0 0 32 -4,-2.2 4,-3.0 1,-0.2 8,-0.3 0.915 109.6 47.2 -61.9 -42.0 -20.5 25.5 -22.5 56 85 A M H < S+ 0 0 6 -4,-2.3 -1,-0.2 7,-0.2 -2,-0.2 0.942 114.3 44.9 -62.9 -48.7 -19.2 25.2 -19.0 57 86 A Y H < S+ 0 0 53 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.930 120.3 41.9 -63.0 -40.3 -19.7 28.9 -18.1 58 87 A E H < S+ 0 0 130 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.887 134.1 16.2 -74.1 -42.6 -23.2 28.9 -19.7 59 88 A K S >X S+ 0 0 134 -4,-3.0 4,-2.6 -5,-0.3 3,-0.9 -0.593 70.7 164.9-131.8 70.9 -24.5 25.6 -18.4 60 89 A P H 3> S+ 0 0 45 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.796 74.7 55.7 -67.5 -27.4 -22.2 24.5 -15.5 61 90 A E H 34 S+ 0 0 61 1,-0.2 58,-0.2 2,-0.2 4,-0.1 0.779 118.2 36.9 -71.8 -23.1 -24.5 21.8 -14.1 62 91 A R H <4 S+ 0 0 50 -3,-0.9 4,-0.3 -7,-0.2 -1,-0.2 0.835 130.9 25.8 -86.5 -39.1 -24.5 20.1 -17.6 63 92 A W H X S+ 0 0 20 -4,-2.6 4,-2.7 -8,-0.3 -7,-0.2 0.530 89.4 92.9-114.2 -7.2 -20.9 20.8 -18.7 64 93 A S H X S+ 0 0 0 -4,-1.7 4,-3.3 53,-0.4 5,-0.2 0.885 90.4 46.6 -56.7 -49.7 -18.6 21.2 -15.7 65 94 A F H > S+ 0 0 0 52,-0.3 4,-2.5 -5,-0.2 5,-0.2 0.924 114.1 48.3 -58.6 -46.5 -17.5 17.5 -15.4 66 95 A T H > S+ 0 0 1 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.941 115.1 44.9 -61.5 -52.6 -16.8 17.3 -19.2 67 96 A F H X S+ 0 0 12 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.942 113.0 49.9 -52.1 -54.9 -14.8 20.5 -19.1 68 97 A Q H X S+ 0 0 2 -4,-3.3 4,-2.0 1,-0.2 5,-0.2 0.873 112.4 48.6 -57.9 -39.1 -12.9 19.6 -15.9 69 98 A T H X S+ 0 0 3 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.942 114.9 44.0 -64.8 -46.4 -12.0 16.2 -17.4 70 99 A Y H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.896 111.9 52.8 -67.2 -40.9 -10.8 17.7 -20.7 71 100 A A H X S+ 0 0 2 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.930 114.0 42.0 -59.8 -48.5 -8.9 20.5 -19.0 72 101 A C H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.920 114.4 51.7 -68.9 -41.8 -6.9 18.2 -16.8 73 102 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.940 111.7 46.4 -58.5 -48.1 -6.4 15.7 -19.6 74 103 A S H X S+ 0 0 1 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.831 111.7 52.3 -66.4 -31.8 -5.1 18.4 -22.0 75 104 A R H X S+ 0 0 5 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.949 109.7 47.3 -66.1 -49.2 -2.8 19.7 -19.2 76 105 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.913 112.9 50.5 -59.9 -43.8 -1.2 16.3 -18.5 77 106 A R H X S+ 0 0 39 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.956 114.3 43.8 -53.9 -53.2 -0.7 15.8 -22.2 78 107 A A H X S+ 0 0 27 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.885 114.7 47.9 -63.3 -42.6 0.9 19.3 -22.6 79 108 A Q H X S+ 0 0 2 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.891 112.5 48.3 -70.0 -44.3 3.1 19.0 -19.4 80 109 A L H X S+ 0 0 26 -4,-2.4 4,-2.2 -5,-0.3 3,-0.3 0.889 109.7 52.7 -61.9 -42.4 4.4 15.5 -20.3 81 110 A A H X S+ 0 0 53 -4,-2.1 4,-1.6 -5,-0.2 5,-0.4 0.902 108.0 51.8 -57.9 -45.5 5.2 16.5 -23.9 82 111 A S H X S+ 0 0 19 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.736 111.9 45.7 -64.6 -30.7 7.3 19.4 -22.7 83 112 A L H < S+ 0 0 12 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.875 111.0 53.6 -72.8 -42.8 9.3 17.2 -20.3 84 113 A N H < S+ 0 0 91 -4,-2.2 -2,-0.2 1,-0.1 -3,-0.1 0.790 127.4 13.0 -68.1 -29.5 9.8 14.5 -23.0 85 114 A G H < S+ 0 0 51 -4,-1.6 -3,-0.2 -5,-0.1 -1,-0.1 0.797 105.0 77.0-117.6 -42.0 11.3 16.9 -25.6 86 115 A K S < S- 0 0 87 -4,-0.9 2,-1.3 -5,-0.4 4,-0.1 -0.255 98.6 -9.4 -86.9 164.3 12.3 20.3 -24.4 87 116 A L S S+ 0 0 28 -59,-0.1 -4,-0.1 2,-0.1 -1,-0.1 -0.380 79.2 135.5 58.4 -87.9 15.3 21.6 -22.4 88 117 A K S S+ 0 0 54 -2,-1.3 -1,-0.1 1,-0.3 3,-0.1 0.580 73.7 38.8 3.1 106.5 16.8 18.1 -21.4 89 118 A D S S+ 0 0 101 1,-0.4 -1,-0.3 2,-0.1 2,-0.2 0.257 94.2 127.9 101.0 3.0 20.5 18.6 -22.1 90 119 A A - 0 0 17 -4,-0.1 -1,-0.4 1,-0.1 -61,-0.1 -0.522 69.7-116.4 -85.0 160.7 20.2 22.1 -20.7 91 120 A E S S- 0 0 135 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.985 101.7 -4.3 -60.5 -68.9 22.6 23.4 -18.0 92 121 A K S S- 0 0 144 2,-0.0 -1,-0.3 -3,-0.0 -63,-0.1 -0.718 86.9-157.3-125.4 78.3 20.0 24.0 -15.2 93 122 A P - 0 0 4 0, 0.0 -89,-1.9 0, 0.0 2,-0.4 -0.312 12.9-178.4 -62.9 133.7 16.6 23.3 -16.9 94 123 A V E -ac 4 30A 10 -65,-2.4 -63,-2.3 -91,-0.2 2,-0.5 -0.999 10.2-162.5-126.2 137.6 13.5 24.8 -15.4 95 124 A L E -ac 5 31A 0 -91,-3.2 -89,-2.4 -2,-0.4 2,-0.6 -0.975 7.8-154.8-117.0 119.3 10.0 24.2 -16.6 96 125 A F E -ac 6 32A 0 -65,-3.1 -63,-2.8 -2,-0.5 2,-0.5 -0.844 9.2-154.7 -93.7 122.6 7.3 26.6 -15.5 97 126 A F E -ac 7 33A 0 -91,-3.3 -89,-2.9 -2,-0.6 2,-1.2 -0.819 17.0-134.2 -95.2 129.2 3.7 25.2 -15.5 98 127 A E E S-a 8 0A 7 -65,-2.8 -89,-0.1 -2,-0.5 -91,-0.1 -0.763 82.0 -34.0 -77.6 101.1 0.8 27.5 -15.9 99 128 A R S S- 0 0 15 -91,-1.9 2,-0.2 -2,-1.2 -91,-0.2 0.138 76.7-116.0 62.2 179.7 -1.2 25.8 -13.1 100 129 A S > - 0 0 1 -93,-0.1 4,-1.8 -3,-0.0 3,-0.1 -0.818 27.6 -95.9-141.5 171.8 -1.1 22.1 -12.1 101 130 A V H > S+ 0 0 3 -2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.744 121.5 61.5 -63.8 -21.4 -3.3 19.0 -11.8 102 131 A Y H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.884 103.6 44.8 -77.7 -41.2 -3.7 20.0 -8.2 103 132 A S H >>S+ 0 0 0 2,-0.2 5,-2.4 3,-0.2 4,-1.2 0.879 108.6 59.2 -67.8 -33.8 -5.4 23.3 -8.9 104 133 A D H <>S+ 0 0 5 -4,-1.8 5,-3.0 3,-0.2 6,-0.2 0.949 121.3 26.0 -53.2 -46.1 -7.6 21.5 -11.5 105 134 A R H <>S+ 0 0 1 -4,-1.5 5,-1.5 3,-0.2 -2,-0.2 0.927 127.6 36.8 -85.8 -50.7 -8.9 19.3 -8.7 106 135 A Y H <5S+ 0 0 19 -4,-2.8 -3,-0.2 3,-0.2 -2,-0.1 0.617 130.9 26.1 -93.0 -11.4 -8.6 21.0 -5.4 107 136 A I T X5S+ 0 0 0 -4,-1.2 4,-2.0 -5,-0.4 -3,-0.2 0.764 130.7 23.8-106.0 -71.0 -9.5 24.5 -6.7 108 137 A F H >S+ 0 0 4 -4,-1.7 5,-3.2 2,-0.2 6,-1.0 0.915 109.9 46.9 -66.1 -41.3 -17.8 23.1 -8.8 113 142 A Y H ><5S+ 0 0 64 -4,-2.1 3,-1.6 4,-0.2 -2,-0.2 0.933 112.5 50.8 -64.3 -45.2 -18.8 20.2 -6.6 114 143 A E H 3<5S+ 0 0 112 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.823 110.3 49.0 -60.8 -33.9 -19.3 22.6 -3.7 115 144 A S T 3<5S- 0 0 49 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.319 117.1-114.1 -86.5 4.8 -21.5 24.8 -5.8 116 145 A E T < 5S+ 0 0 169 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.723 82.7 125.6 62.2 27.1 -23.6 21.7 -6.9 117 146 A S S - 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