==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JUL-05 2A7Q . COMPND 2 MOLECULE: DEOXYCYTIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHANG,J.A.SECRIST III,S.E.EALICK . 229 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 14 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 1 1 2 0 0 0 1 0 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 . 1 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 1 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 0 214 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.9 47.3 54.5 16.9 2 21 A I - 0 0 34 89,-0.1 2,-0.3 91,-0.0 91,-0.2 -0.971 360.0-122.4-119.0 127.6 51.0 54.1 17.6 3 22 A K E -a 93 0A 63 89,-1.8 91,-4.1 -2,-0.4 2,-0.6 -0.527 29.9-160.4 -67.7 124.8 53.7 53.6 14.9 4 23 A K E -a 94 0A 23 -2,-0.3 139,-2.6 137,-0.3 140,-1.0 -0.930 9.5-175.3-115.3 113.7 55.4 50.3 15.5 5 24 A I E -ab 95 144A 0 89,-2.7 91,-2.7 -2,-0.6 2,-0.4 -0.908 13.5-145.6-112.1 133.8 58.8 49.7 14.0 6 25 A S E -ab 96 145A 0 138,-2.1 140,-2.9 -2,-0.4 2,-0.6 -0.787 5.5-146.1 -98.3 135.6 60.7 46.5 14.1 7 26 A I E -ab 97 146A 0 89,-3.5 91,-2.0 -2,-0.4 2,-0.3 -0.888 24.0-174.2 -99.6 119.3 64.5 46.4 14.3 8 27 A E E + b 0 147A 0 138,-2.7 140,-3.5 -2,-0.6 2,-0.3 -0.859 17.2 123.9-116.5 150.8 65.9 43.3 12.5 9 28 A G E - b 0 148A 0 -2,-0.3 140,-0.1 138,-0.2 3,-0.1 -0.896 52.8 -74.7 170.4 160.4 69.4 42.0 12.2 10 29 A N S > S- 0 0 6 138,-0.6 3,-2.2 -2,-0.3 4,-0.3 -0.108 70.4 -66.4 -66.4 165.0 71.8 39.1 12.7 11 30 A I T 3 S- 0 0 8 1,-0.3 -1,-0.2 2,-0.1 148,-0.2 -0.310 122.6 -0.9 -54.6 129.5 73.2 37.9 16.1 12 31 A A T 3 S+ 0 0 25 -3,-0.1 -1,-0.3 146,-0.1 146,-0.1 0.730 88.0 135.0 59.0 26.7 75.4 40.7 17.5 13 32 A A S < S- 0 0 0 -3,-2.2 -2,-0.1 135,-0.1 -1,-0.1 0.771 85.0 -88.3 -74.7 -24.2 74.9 42.9 14.5 14 33 A G S > S+ 0 0 18 -4,-0.3 4,-2.1 -5,-0.1 5,-0.2 0.567 81.1 137.2 128.4 17.1 74.3 45.9 16.8 15 34 A K H > S+ 0 0 12 -5,-0.3 4,-2.8 1,-0.2 5,-0.2 0.939 76.9 45.1 -56.8 -56.6 70.6 46.0 17.7 16 35 A S H > S+ 0 0 56 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.857 113.8 52.8 -57.9 -35.0 70.8 46.7 21.5 17 36 A T H 4 S+ 0 0 75 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.889 111.5 44.8 -67.4 -39.1 73.5 49.3 20.7 18 37 A F H >< S+ 0 0 1 -4,-2.1 3,-1.0 1,-0.2 4,-0.3 0.856 109.3 57.4 -70.9 -38.1 71.1 51.0 18.2 19 38 A V H >X S+ 0 0 16 -4,-2.8 3,-1.1 1,-0.2 4,-0.8 0.860 100.1 58.7 -62.2 -36.2 68.3 50.7 20.6 20 39 A N T 3< S+ 0 0 128 -4,-1.6 4,-0.3 1,-0.3 -1,-0.2 0.622 104.1 49.1 -71.7 -14.7 70.2 52.7 23.3 21 40 A I T <4 S+ 0 0 27 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.394 98.8 75.0-102.3 2.1 70.6 55.8 21.1 22 41 A L T X4 S+ 0 0 0 -3,-1.1 3,-1.9 -4,-0.3 4,-0.5 0.949 87.8 50.0 -79.0 -53.3 66.9 55.8 20.2 23 42 A K G >< S+ 0 0 111 -4,-0.8 3,-1.4 1,-0.3 6,-0.3 0.875 106.4 57.5 -57.1 -37.6 65.1 57.1 23.3 24 43 A Q G 3 S+ 0 0 136 -4,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.611 97.3 63.9 -71.1 -8.2 67.4 60.0 23.6 25 44 A L G < S+ 0 0 31 -3,-1.9 -1,-0.3 1,-0.3 2,-0.2 0.597 120.9 0.7 -88.7 -12.6 66.5 61.1 20.1 26 45 A C X - 0 0 40 -3,-1.4 3,-1.8 -4,-0.5 -1,-0.3 -0.769 53.4-140.0-176.7 128.3 62.8 61.7 21.0 27 46 A E T 3 S+ 0 0 105 1,-0.3 -3,-0.1 -2,-0.2 -4,-0.1 0.659 102.3 69.9 -65.4 -13.9 60.7 61.5 24.2 28 47 A D T 3 S+ 0 0 40 63,-0.1 65,-2.2 64,-0.1 2,-0.3 0.474 82.7 94.2 -83.1 -2.1 58.0 60.1 21.9 29 48 A W E < -c 93 0A 22 -3,-1.8 2,-0.3 -6,-0.3 65,-0.2 -0.708 51.5-169.7-101.3 145.2 59.8 56.8 21.3 30 49 A E E -c 94 0A 55 63,-2.5 65,-3.6 -2,-0.3 2,-0.4 -0.941 6.5-154.1-127.6 150.3 59.6 53.5 23.1 31 50 A V E -c 95 0A 12 -2,-0.3 65,-0.2 63,-0.2 63,-0.0 -0.985 6.6-163.4-130.5 126.8 61.7 50.4 23.0 32 51 A V E -c 96 0A 5 63,-2.6 65,-2.0 -2,-0.4 46,-0.1 -0.895 25.0-148.8-106.5 103.7 60.7 46.8 23.7 33 52 A P - 0 0 74 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 -0.374 25.0 -96.8 -74.7 153.9 64.0 44.8 24.2 34 53 A E - 0 0 25 1,-0.1 2,-3.3 -2,-0.1 3,-0.4 -0.519 35.7-123.5 -66.3 124.2 64.4 41.2 23.3 35 54 A P + 0 0 18 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 -0.151 62.1 141.9 -67.2 49.7 63.9 39.2 26.5 36 55 A V >> + 0 0 27 -2,-3.3 3,-1.3 1,-0.2 4,-0.7 0.910 66.8 49.4 -60.7 -46.4 67.3 37.6 26.1 37 56 A A H >> S+ 0 0 76 -3,-0.4 3,-0.6 1,-0.3 4,-0.6 0.845 106.5 58.3 -63.4 -31.7 68.3 37.6 29.8 38 57 A R H 34 S+ 0 0 169 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.592 101.9 53.9 -73.4 -12.9 64.9 36.1 30.7 39 58 A W H <4 S+ 0 0 12 -3,-1.3 13,-1.4 -4,-0.5 12,-0.5 0.598 105.3 56.9 -93.2 -14.3 65.7 33.1 28.4 40 59 A C H << S+ 0 0 26 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.1 0.589 116.9 28.9 -92.3 -13.6 68.9 32.7 30.3 41 60 A N S < S- 0 0 50 -4,-0.6 2,-0.3 9,-0.1 -1,-0.2 -0.536 85.0-152.0-145.8 71.5 67.4 32.3 33.8 42 61 A V B +E 49 0B 55 7,-3.5 7,-0.5 -3,-0.4 2,-0.3 -0.281 31.5 155.5 -52.5 108.6 64.0 30.8 33.2 43 62 A Q - 0 0 102 -5,-0.3 2,-0.1 -2,-0.3 -2,-0.1 -0.916 46.1 -96.6-133.6 157.0 61.8 32.0 36.1 44 63 A S 0 0 119 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.450 360.0 360.0 -76.5 150.1 58.0 32.4 36.3 45 64 A T 0 0 151 -2,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.024 360.0 360.0 -36.1 360.0 56.5 35.8 35.7 46 ! 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 47 77 A N 0 0 164 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 119.0 68.3 31.3 39.7 48 78 A G - 0 0 32 1,-0.3 -5,-0.1 0, 0.0 -6,-0.1 -0.201 360.0 -22.2-122.0-149.6 66.9 28.6 37.3 49 79 A G B -E 42 0B 41 -7,-0.5 -7,-3.5 -8,-0.2 2,-0.5 -0.185 38.7-144.1 -68.3 156.1 67.4 27.1 33.8 50 80 A N >> + 0 0 33 -9,-0.2 4,-2.0 1,-0.1 3,-0.9 -0.708 21.2 173.8-120.4 77.1 69.0 28.6 30.8 51 81 A V H 3> S+ 0 0 8 -12,-0.5 4,-2.4 -2,-0.5 5,-0.2 0.778 76.4 63.6 -55.9 -30.5 67.0 27.4 27.8 52 82 A L H 3> S+ 0 0 10 -13,-1.4 4,-2.0 1,-0.2 -1,-0.3 0.916 109.8 39.6 -60.8 -42.9 69.0 29.6 25.4 53 83 A Q H <> S+ 0 0 69 -3,-0.9 4,-1.5 -14,-0.2 -2,-0.2 0.844 111.0 57.5 -74.7 -35.8 72.1 27.6 26.2 54 84 A M H X S+ 0 0 67 -4,-2.0 4,-1.0 2,-0.2 8,-0.3 0.915 110.7 45.0 -59.4 -42.5 70.3 24.3 26.3 55 85 A M H >< S+ 0 0 7 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.931 111.1 51.0 -68.6 -47.6 69.2 25.0 22.7 56 86 A Y H 3< S+ 0 0 55 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.748 115.0 46.0 -62.4 -22.2 72.7 26.1 21.6 57 87 A E H 3< S+ 0 0 144 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.615 134.3 9.7 -97.5 -14.0 74.1 22.9 23.1 58 88 A K XX + 0 0 118 -4,-1.0 3,-2.2 -3,-0.6 4,-2.1 -0.286 69.3 172.6-162.4 65.6 71.6 20.4 21.8 59 89 A P H 3> S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.739 76.7 58.7 -48.5 -37.6 69.3 22.1 19.2 60 90 A E H 34 S+ 0 0 101 2,-0.2 58,-0.2 1,-0.2 4,-0.1 0.608 114.6 40.0 -74.3 -8.7 67.5 19.0 18.0 61 91 A R H <4 S+ 0 0 116 -3,-2.2 4,-0.3 -6,-0.2 -1,-0.2 0.811 129.9 24.0-100.4 -44.4 66.4 18.5 21.6 62 92 A W H X S+ 0 0 61 -4,-2.1 4,-2.3 -8,-0.3 -7,-0.2 0.274 90.2 94.5-109.6 9.0 65.6 22.1 22.6 63 93 A S H X S+ 0 0 0 -4,-2.0 4,-3.3 53,-0.4 5,-0.2 0.946 90.6 45.9 -67.7 -46.0 64.8 24.1 19.5 64 94 A F H > S+ 0 0 49 52,-0.3 4,-3.1 -5,-0.3 5,-0.2 0.968 114.8 47.0 -58.8 -54.7 61.1 23.6 19.7 65 95 A T H > S+ 0 0 53 -4,-0.3 4,-2.9 1,-0.2 5,-0.3 0.945 115.5 46.2 -51.8 -52.3 60.9 24.4 23.4 66 96 A F H X S+ 0 0 17 -4,-2.3 4,-3.5 1,-0.2 5,-0.3 0.938 113.9 47.6 -58.3 -48.5 63.1 27.5 22.9 67 97 A Q H X S+ 0 0 3 -4,-3.3 4,-1.7 1,-0.2 5,-0.3 0.870 113.3 49.9 -60.8 -36.4 61.1 28.6 19.8 68 98 A T H X S+ 0 0 40 -4,-3.1 4,-1.5 -5,-0.2 -2,-0.2 0.939 119.8 34.6 -66.9 -49.5 57.9 28.1 21.8 69 99 A Y H X S+ 0 0 62 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.855 114.9 56.6 -75.2 -38.1 59.0 30.0 24.9 70 100 A A H X S+ 0 0 1 -4,-3.5 4,-1.9 -5,-0.3 -3,-0.2 0.936 111.6 41.9 -62.4 -45.7 61.0 32.6 23.0 71 101 A C H X S+ 0 0 1 -4,-1.7 4,-2.3 -5,-0.3 5,-0.2 0.949 113.9 48.5 -68.8 -50.4 58.2 33.8 20.8 72 102 A L H X S+ 0 0 61 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.918 112.3 54.2 -52.7 -43.6 55.4 33.8 23.5 73 103 A S H X S+ 0 0 13 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.914 107.5 46.7 -56.2 -49.9 57.8 35.7 25.6 74 104 A R H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.838 110.5 54.1 -64.9 -35.0 58.5 38.4 23.0 75 105 A I H X S+ 0 0 6 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.921 107.9 48.7 -66.4 -44.8 54.8 38.8 22.3 76 106 A R H X S+ 0 0 125 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.940 112.4 49.1 -60.6 -46.3 54.0 39.4 26.0 77 107 A A H X S+ 0 0 29 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.929 115.0 43.6 -59.4 -46.9 56.8 42.0 26.2 78 108 A Q H < S+ 0 0 4 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.852 114.8 49.8 -68.4 -34.9 55.6 43.8 23.1 79 109 A L H >< S+ 0 0 49 -4,-2.9 3,-1.4 -5,-0.2 -2,-0.2 0.904 106.9 54.6 -71.1 -38.2 52.0 43.6 24.2 80 110 A A H >< S+ 0 0 66 -4,-2.8 3,-0.7 1,-0.3 -2,-0.2 0.926 103.9 55.0 -60.1 -43.2 52.8 45.0 27.6 81 111 A S G >< S+ 0 0 33 -4,-1.7 3,-0.8 1,-0.3 -1,-0.3 0.594 93.6 71.3 -66.8 -10.3 54.4 48.0 26.1 82 112 A L G < S+ 0 0 51 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.1 -0.122 99.7 48.5 -95.2 35.9 51.2 48.6 24.2 83 113 A N G < S+ 0 0 83 -3,-0.7 -1,-0.2 0, 0.0 -2,-0.1 0.031 95.0 93.5-160.1 28.6 49.6 49.6 27.5 84 114 A G S X S- 0 0 37 -3,-0.8 3,-1.7 0, 0.0 4,-0.3 -0.262 98.6 -60.1-111.2-160.2 52.2 52.0 28.9 85 115 A K G > S+ 0 0 82 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.663 117.5 82.2 -58.0 -18.3 52.9 55.8 29.0 86 116 A L G > S+ 0 0 8 1,-0.3 3,-1.7 -5,-0.2 -1,-0.3 0.824 78.9 64.2 -58.4 -35.0 53.1 55.6 25.2 87 117 A K G < S+ 0 0 61 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.832 102.5 50.2 -58.6 -32.4 49.3 55.8 24.9 88 118 A D G < S+ 0 0 149 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.470 94.1 109.0 -85.0 -3.2 49.5 59.3 26.4 89 119 A A < - 0 0 23 -3,-1.7 -61,-0.1 -4,-0.3 -3,-0.0 -0.201 64.9-138.2 -74.4 166.0 52.2 60.3 23.9 90 120 A E S S+ 0 0 79 1,-0.1 -1,-0.1 -2,-0.0 -4,-0.0 0.943 97.8 10.2 -86.2 -65.1 51.9 62.8 21.0 91 121 A K S S- 0 0 47 2,-0.1 -1,-0.1 -89,-0.0 2,-0.1 -0.475 87.8-170.6-116.3 58.7 53.8 61.1 18.1 92 122 A P - 0 0 4 0, 0.0 -89,-1.8 0, 0.0 2,-0.5 -0.282 8.0-178.0 -57.1 119.0 54.3 57.7 19.8 93 123 A V E -ac 3 29A 2 -65,-2.2 -63,-2.5 -91,-0.2 2,-0.6 -0.984 10.9-156.1-124.2 118.6 56.7 55.4 17.9 94 124 A L E -ac 4 30A 0 -91,-4.1 -89,-2.7 -2,-0.5 2,-0.4 -0.849 4.3-154.8-101.4 121.2 57.2 52.0 19.3 95 125 A F E -ac 5 31A 0 -65,-3.6 -63,-2.6 -2,-0.6 2,-0.4 -0.768 2.9-159.1 -97.4 138.7 60.3 50.0 18.6 96 126 A F E -ac 6 32A 2 -91,-2.7 -89,-3.5 -2,-0.4 2,-1.2 -0.952 16.7-138.2-115.1 130.5 60.5 46.2 18.6 97 127 A E E S-a 7 0A 5 -65,-2.0 -89,-0.1 -2,-0.4 -91,-0.1 -0.761 81.3 -30.7 -88.9 98.2 63.8 44.4 19.0 98 128 A R S S- 0 0 12 -91,-2.0 2,-0.3 -2,-1.2 -91,-0.2 0.094 80.1-121.3 72.4 168.1 63.1 41.6 16.4 99 129 A S > - 0 0 3 -93,-0.1 4,-2.2 -3,-0.1 3,-0.3 -0.853 26.6 -94.6-138.8 173.3 59.7 40.3 15.7 100 130 A V H > S+ 0 0 10 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.729 124.2 60.3 -60.7 -19.3 57.5 37.2 15.7 101 131 A Y H >>S+ 0 0 9 2,-0.2 4,-3.1 3,-0.2 5,-0.5 0.933 102.0 47.8 -74.4 -46.1 58.5 37.1 12.1 102 132 A S H >>S+ 0 0 0 -3,-0.3 5,-2.0 1,-0.2 4,-1.8 0.949 110.1 55.3 -56.9 -49.2 62.2 36.8 12.7 103 133 A D H <>S+ 0 0 6 -4,-2.2 5,-3.3 3,-0.2 6,-0.3 0.911 122.2 25.8 -49.1 -49.7 61.4 34.1 15.3 104 134 A R H <>S+ 0 0 8 -4,-1.7 5,-1.9 3,-0.2 -2,-0.2 0.951 128.3 36.7 -84.3 -55.5 59.6 32.0 12.7 105 135 A Y H <5S+ 0 0 22 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.514 130.3 27.4 -81.6 -2.8 60.9 32.9 9.3 106 136 A I T XS+ 0 0 6 -4,-2.7 5,-2.7 1,-0.2 6,-0.4 0.865 111.1 49.4 -64.7 -33.9 66.6 25.3 12.8 112 142 A Y H ><5S+ 0 0 56 -4,-2.1 3,-1.4 -5,-0.2 5,-0.3 0.840 106.9 52.5 -73.2 -34.6 64.0 23.2 11.1 113 143 A E H 3<5S+ 0 0 119 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.640 105.5 58.7 -75.0 -12.1 65.9 23.2 7.8 114 144 A S T 3<5S- 0 0 39 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.140 120.1-111.5-100.1 16.5 68.9 22.0 9.8 115 145 A E T < 5S+ 0 0 175 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.722 84.8 125.2 59.0 23.8 66.9 18.9 11.0 116 146 A C S - 0 0 87 -2,-0.4 4,-3.0 -58,-0.2 5,-0.2 -0.194 38.1 -90.8 -75.3 176.2 61.2 17.2 13.0 119 149 A E H > S+ 0 0 114 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.923 127.5 53.3 -52.9 -49.1 58.0 17.6 10.9 120 150 A T H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.933 112.3 42.3 -52.4 -54.6 55.9 17.1 14.1 121 151 A E H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.951 116.9 49.3 -59.2 -48.2 57.7 19.8 16.0 122 152 A W H X S+ 0 0 29 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.849 111.9 47.8 -59.9 -38.0 57.7 22.1 12.9 123 153 A T H X S+ 0 0 81 -4,-3.2 4,-2.1 -5,-0.2 5,-0.2 0.951 112.8 48.0 -69.7 -48.1 54.0 21.5 12.3 124 154 A I H X S+ 0 0 86 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.905 110.4 53.0 -59.5 -41.6 53.1 22.2 15.9 125 155 A Y H X S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.2 -1,-0.2 0.917 110.7 44.3 -61.3 -46.0 55.2 25.4 16.0 126 156 A Q H X S+ 0 0 49 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.885 111.4 54.2 -67.0 -36.8 53.6 26.9 12.9 127 157 A D H X S+ 0 0 116 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.859 114.2 42.2 -62.7 -37.7 50.1 26.0 14.1 128 158 A W H X S+ 0 0 57 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.939 113.7 51.5 -72.9 -50.4 50.9 27.8 17.4 129 159 A H H X S+ 0 0 0 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.870 111.9 46.7 -56.5 -40.7 52.6 30.7 15.7 130 160 A D H X S+ 0 0 54 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.977 112.5 48.7 -65.0 -56.1 49.6 31.2 13.4 131 161 A W H X S+ 0 0 132 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.768 107.5 57.9 -54.9 -30.5 47.0 31.0 16.1 132 162 A M H >< S+ 0 0 8 -4,-2.2 3,-0.8 2,-0.2 4,-0.3 0.982 111.2 39.4 -65.1 -56.2 49.1 33.4 18.2 133 163 A N H 3X>S+ 0 0 22 -4,-1.9 4,-0.8 1,-0.3 5,-0.5 0.910 107.6 64.8 -57.1 -43.2 48.9 36.1 15.5 134 164 A N H 3<5S+ 0 0 120 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.866 115.6 31.3 -46.9 -39.8 45.3 35.1 14.9 135 165 A Q T X<5S+ 0 0 82 -4,-1.3 2,-2.9 -3,-0.8 3,-0.6 0.765 137.1 10.9 -82.4-107.3 44.7 36.3 18.4 136 166 A F T 345S+ 0 0 87 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 -0.283 106.6 96.7 -72.4 56.0 46.9 39.2 19.7 137 167 A G T ><5 + 0 0 8 -2,-2.9 3,-3.7 -4,-0.8 4,-0.5 0.818 61.1 64.2-109.9 -57.2 48.2 39.9 16.3 138 168 A Q G X > - 0 0 50 -2,-0.3 4,-2.4 1,-0.1 3,-1.0 -0.326 32.7-120.0 -63.3 145.5 78.5 40.7 7.3 152 182 A P H 3> S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.757 117.8 58.3 -59.0 -20.2 78.3 37.4 9.2 153 183 A E H 3> S+ 0 0 94 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.840 105.5 46.6 -76.1 -33.9 82.0 37.9 9.6 154 184 A T H <> S+ 0 0 32 -3,-1.0 4,-2.3 2,-0.2 3,-0.2 0.875 112.5 52.9 -72.4 -37.3 81.5 41.2 11.4 155 185 A C H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.952 103.4 54.4 -62.2 -51.1 78.8 39.5 13.5 156 186 A L H X S+ 0 0 67 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.769 112.6 45.5 -54.0 -30.1 81.1 36.6 14.6 157 187 A H H X S+ 0 0 106 -4,-0.9 4,-1.6 -3,-0.2 -1,-0.2 0.861 108.9 52.5 -82.5 -41.1 83.6 39.2 15.9 158 188 A R H X S+ 0 0 58 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.795 105.3 58.4 -65.5 -25.9 81.0 41.4 17.7 159 189 A I H X S+ 0 0 4 -4,-2.0 4,-1.8 1,-0.2 5,-0.4 0.948 104.5 50.0 -65.4 -48.0 79.8 38.3 19.4 160 190 A Y H < S+ 0 0 158 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.849 110.9 50.1 -58.4 -35.9 83.3 37.8 20.7 161 191 A L H < S+ 0 0 115 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.895 106.5 53.6 -69.4 -43.6 83.3 41.5 21.9 162 192 A R H < S- 0 0 138 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.856 93.2-149.4 -60.9 -38.6 79.9 41.2 23.8 163 193 A G < + 0 0 37 -4,-1.8 2,-0.3 1,-0.3 -3,-0.1 0.524 33.1 160.3 81.8 6.0 81.1 38.2 25.7 164 194 A R > - 0 0 47 -5,-0.4 4,-0.7 1,-0.1 3,-0.3 -0.491 35.6-142.6 -64.2 124.9 77.8 36.4 26.2 165 195 A N T >4 S+ 0 0 125 -2,-0.3 3,-0.8 1,-0.2 4,-0.4 0.843 93.0 54.6 -58.1 -45.7 78.9 32.8 27.0 166 196 A E G >4 S+ 0 0 23 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.862 110.0 49.9 -60.4 -35.3 76.2 30.8 25.2 167 197 A E G >4 S+ 0 0 15 -3,-0.3 3,-1.9 1,-0.2 -1,-0.2 0.635 87.8 83.0 -80.4 -14.1 77.1 32.7 22.0 168 198 A Q G << S+ 0 0 78 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.713 90.3 52.1 -64.3 -19.9 80.9 32.1 22.2 169 199 A G G < S+ 0 0 66 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.417 80.6 124.2 -95.8 3.0 80.5 28.7 20.7 170 200 A I < - 0 0 10 -3,-1.9 2,-0.2 1,-0.1 -11,-0.0 -0.484 55.3-138.3 -69.5 123.0 78.5 30.0 17.7 171 201 A P >> - 0 0 70 0, 0.0 4,-1.5 0, 0.0 3,-1.4 -0.523 16.7-120.2 -83.0 148.0 80.1 29.0 14.4 172 202 A L H 3> S+ 0 0 57 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.881 112.4 64.0 -51.1 -42.4 80.4 31.3 11.3 173 203 A E H 3> S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.806 101.4 48.8 -51.7 -37.7 78.4 28.8 9.4 174 204 A Y H <> S+ 0 0 36 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.893 110.5 51.0 -71.6 -41.1 75.3 29.4 11.6 175 205 A L H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.804 108.5 53.3 -65.9 -30.4 75.7 33.2 11.2 176 206 A E H X S+ 0 0 65 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.935 106.3 50.9 -70.0 -47.2 75.9 32.8 7.4 177 207 A K H X S+ 0 0 91 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.909 113.0 46.0 -57.0 -42.8 72.6 30.8 7.3 178 208 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.857 109.2 57.9 -67.8 -35.5 70.9 33.5 9.3 179 209 A H H >X S+ 0 0 23 -4,-1.7 4,-2.6 1,-0.2 3,-0.6 0.969 105.6 46.4 -58.0 -57.4 72.5 36.2 7.1 180 210 A Y H 3X S+ 0 0 147 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.781 109.7 55.5 -59.8 -27.1 71.1 34.9 3.9 181 211 A K H 3X S+ 0 0 28 -4,-1.2 4,-1.4 -5,-0.3 -1,-0.3 0.851 109.2 46.4 -75.0 -31.6 67.6 34.5 5.4 182 212 A H H S+ 0 0 0 -4,-1.7 4,-3.5 -3,-0.6 5,-0.7 0.902 114.0 48.8 -72.0 -40.5 67.7 38.2 6.4 183 213 A E H X>S+ 0 0 26 -4,-2.6 5,-2.5 1,-0.2 4,-1.5 0.909 110.7 50.9 -62.8 -43.3 68.9 39.1 3.0 184 214 A S H <5S+ 0 0 30 -4,-2.4 6,-2.2 -5,-0.2 7,-0.4 0.833 120.8 34.2 -64.8 -32.6 66.2 37.0 1.4 185 215 A W H <5S+ 0 0 14 -4,-1.4 6,-0.2 4,-0.2 -2,-0.2 0.892 132.4 22.4 -91.4 -44.8 63.5 38.7 3.6 186 216 A L H <5S+ 0 0 4 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.645 130.6 33.3-100.8 -17.6 64.6 42.2 4.0 187 217 A L T < - 0 0 27 1,-0.2 3,-1.1 2,-0.0 4,-0.5 -0.796 61.9-173.0-109.1 92.6 51.2 37.7 6.7 196 226 A D T >> S+ 0 0 140 -2,-0.9 3,-1.0 1,-0.2 4,-0.5 0.784 74.8 66.6 -50.9 -42.7 50.5 39.6 3.5 197 227 A Y H >> S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 3,-1.6 0.844 90.0 67.7 -53.1 -36.8 50.9 43.1 4.8 198 228 A L H <4 S+ 0 0 3 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.881 88.3 65.1 -48.5 -47.4 54.7 42.5 5.4 199 229 A Q H <4 S+ 0 0 89 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.803 112.0 34.7 -48.0 -35.1 55.3 42.2 1.7 200 230 A E H << S+ 0 0 85 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.745 90.4 118.0 -93.1 -28.7 54.3 45.9 1.3 201 231 A V S < S- 0 0 9 -4,-1.9 -57,-0.1 1,-0.1 -58,-0.1 -0.054 71.6-105.2 -43.7 135.6 55.7 47.2 4.6 202 232 A P - 0 0 50 0, 0.0 -57,-2.3 0, 0.0 2,-0.4 -0.273 34.5-154.8 -64.4 145.6 58.5 49.9 4.3 203 233 A I E -d 145 0A 38 -59,-0.2 2,-0.6 -57,-0.1 -57,-0.2 -0.980 12.8-163.1-134.6 133.9 62.1 48.9 4.9 204 234 A L E -d 146 0A 27 -59,-3.3 -57,-2.6 -2,-0.4 2,-0.6 -0.942 12.2-159.9-111.2 120.9 65.2 50.9 6.0 205 235 A T E -d 147 0A 59 -2,-0.6 2,-0.5 -59,-0.2 -57,-0.2 -0.904 7.8-173.2-105.4 122.9 68.5 49.2 5.4 206 236 A L E -d 148 0A 2 -59,-2.6 -57,-2.9 -2,-0.6 2,-1.2 -0.961 21.2-139.4-116.1 123.6 71.4 50.5 7.4 207 237 A D E +d 149 0A 88 -2,-0.5 3,-0.5 -59,-0.2 -57,-0.2 -0.706 28.4 170.9 -83.2 100.5 74.9 49.2 6.8 208 238 A V + 0 0 9 -59,-2.0 -58,-0.1 -2,-1.2 -1,-0.1 -0.014 44.3 107.9-100.6 29.0 76.3 48.9 10.3 209 239 A N + 0 0 46 -60,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.749 69.6 75.0 -74.5 -23.4 79.5 47.0 9.3 210 240 A E S S- 0 0 47 -3,-0.5 0, 0.0 1,-0.2 0, 0.0 -0.422 104.2 -66.9 -88.3 164.4 81.4 50.2 10.1 211 241 A D >> - 0 0 97 1,-0.1 4,-1.7 -2,-0.1 3,-0.6 -0.163 34.5-142.7 -49.1 133.3 82.3 51.7 13.6 212 242 A F H 3> S+ 0 0 58 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.816 98.1 71.3 -69.3 -30.1 79.3 52.9 15.5 213 243 A K H 34 S+ 0 0 178 2,-0.1 -1,-0.2 1,-0.1 4,-0.2 0.874 113.3 23.4 -51.8 -41.0 81.4 55.7 16.8 214 244 A D H X4 S+ 0 0 108 -3,-0.6 3,-1.0 2,-0.1 4,-0.4 0.933 116.7 54.4 -93.2 -63.0 81.3 57.3 13.3 215 245 A K H 3X S+ 0 0 70 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.561 87.2 93.2 -53.7 -6.8 78.3 56.1 11.3 216 246 A Y H 3X S+ 0 0 73 -4,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.931 79.7 49.4 -52.5 -58.9 76.1 57.3 14.2 217 247 A E H <> S+ 0 0 65 -3,-1.0 4,-1.5 -4,-0.2 -1,-0.2 0.880 112.9 49.6 -51.4 -42.7 75.3 60.8 13.0 218 248 A S H >> S+ 0 0 40 -4,-0.4 4,-2.1 2,-0.2 3,-0.7 0.980 108.5 51.1 -59.6 -61.6 74.2 59.4 9.6 219 249 A L H 3X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.3 5,-0.2 0.872 105.1 55.9 -43.3 -52.6 72.0 56.7 11.0 220 250 A V H 3X S+ 0 0 18 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.915 109.6 48.5 -50.4 -45.5 70.1 59.2 13.2 221 251 A E H X S+ 0 0 127 -4,-3.0 4,-1.4 -5,-0.3 3,-1.2 0.981 111.6 43.0 -51.0 -72.0 64.0 60.6 7.7 226 256 A F H 3< S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.829 112.4 56.4 -45.3 -40.8 62.5 57.1 7.2 227 257 A L H >< S+ 0 0 9 -4,-2.7 3,-1.3 1,-0.2 -1,-0.3 0.854 101.7 54.4 -64.5 -37.0 60.1 57.7 10.1 228 258 A S H << S+ 0 0 87 -4,-2.0 -1,-0.2 -3,-1.2 -2,-0.2 0.864 101.1 60.9 -64.7 -35.8 58.7 60.9 8.7 229 259 A T T 3< 0 0 85 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.183 360.0 360.0 -77.6 17.8 57.8 58.9 5.5 230 260 A L < 0 0 77 -3,-1.3 -86,-0.1 -86,-0.0 -3,-0.1 -0.469 360.0 360.0-118.1 360.0 55.6 56.6 7.5