==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUN-09 3HP1 . COMPND 2 MOLECULE: DEOXYCYTIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HAZRA,A.LAVIE . 226 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11565.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 9.7 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 . 1 0.4 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 . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 1 1 1 2 0 0 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 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 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 0 147 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -23.1 47.2 54.8 16.3 2 21 A I - 0 0 30 86,-0.1 2,-0.3 88,-0.1 88,-0.2 -0.673 360.0-132.8 -72.7 120.6 50.7 53.7 17.5 3 22 A K E -a 90 0A 55 86,-2.2 88,-3.1 -2,-0.5 2,-0.5 -0.648 21.1-153.2 -71.2 134.1 53.1 53.2 14.6 4 23 A K E +a 91 0A 28 -2,-0.3 136,-2.9 134,-0.2 137,-1.1 -0.957 15.5 179.0-116.4 125.8 54.9 49.8 15.0 5 24 A I E -ab 92 141A 0 86,-2.8 88,-3.1 -2,-0.5 2,-0.4 -0.988 14.7-147.3-127.4 130.5 58.4 49.3 13.5 6 25 A S E -ab 93 142A 0 135,-2.0 137,-3.1 -2,-0.4 2,-0.6 -0.794 4.7-145.5-105.3 145.4 60.5 46.2 13.8 7 26 A I E -ab 94 143A 0 86,-2.7 88,-2.4 -2,-0.4 2,-0.3 -0.930 25.7-177.8-105.8 111.9 64.2 46.1 13.9 8 27 A E E + b 0 144A 0 135,-3.2 137,-3.1 -2,-0.6 2,-0.2 -0.805 17.0 124.0-115.6 152.4 65.5 43.0 12.1 9 28 A G - 0 0 0 -2,-0.3 137,-0.1 135,-0.2 3,-0.1 -0.870 55.6 -76.0 168.9 163.1 69.1 41.7 11.7 10 29 A N S > S- 0 0 5 135,-0.5 3,-1.9 -2,-0.2 4,-0.3 -0.102 71.4 -63.1 -69.4 171.2 71.3 38.7 12.3 11 30 A I T 3 S+ 0 0 6 1,-0.3 -1,-0.2 2,-0.1 145,-0.1 -0.410 124.1 1.8 -60.6 124.1 72.7 37.7 15.7 12 31 A A T 3 S+ 0 0 27 -2,-0.2 -1,-0.3 -3,-0.1 143,-0.1 0.675 84.8 133.6 72.1 20.3 75.0 40.5 17.0 13 32 A A S < S- 0 0 1 -3,-1.9 -2,-0.1 132,-0.1 -1,-0.1 0.847 87.2 -92.7 -67.7 -31.2 74.4 42.8 14.0 14 33 A G S > S+ 0 0 17 -4,-0.3 4,-2.6 131,-0.1 5,-0.2 0.540 78.2 142.9 130.0 27.2 73.9 45.6 16.6 15 34 A K H > S+ 0 0 12 -5,-0.3 4,-2.9 2,-0.2 5,-0.2 0.945 78.4 42.0 -59.9 -54.6 70.2 45.6 17.2 16 35 A S H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 115.3 52.5 -59.8 -38.9 70.4 46.4 21.0 17 36 A T H 4 S+ 0 0 80 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.885 113.5 43.5 -60.4 -40.9 73.2 48.9 20.3 18 37 A F H >< S+ 0 0 4 -4,-2.6 3,-1.4 1,-0.2 4,-0.3 0.910 112.3 53.5 -69.0 -44.1 70.9 50.6 17.7 19 38 A V H >X S+ 0 0 10 -4,-2.9 3,-1.5 1,-0.3 4,-0.6 0.831 98.4 61.9 -64.6 -37.4 67.9 50.4 19.9 20 39 A N T 3< S+ 0 0 131 -4,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.608 100.7 58.0 -63.9 -9.7 69.6 52.2 22.8 21 40 A I T <4 S+ 0 0 32 -3,-1.4 4,-0.4 -4,-0.2 -1,-0.2 0.588 91.8 70.9 -93.1 -14.0 70.0 55.2 20.6 22 41 A L T X> S+ 0 0 0 -3,-1.5 3,-1.5 -4,-0.3 4,-0.8 0.887 84.3 58.0 -83.8 -42.9 66.3 55.7 19.8 23 42 A K G >< S+ 0 0 137 -4,-0.6 3,-0.6 1,-0.3 6,-0.2 0.849 104.2 55.8 -59.7 -32.2 64.6 57.0 22.9 24 43 A Q G 34 S+ 0 0 138 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.697 98.2 63.7 -73.6 -16.4 67.0 60.0 23.0 25 44 A L G <4 S- 0 0 29 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.774 121.3 -0.4 -77.0 -28.2 66.0 61.0 19.5 26 45 A C X< - 0 0 41 -4,-0.8 3,-1.4 -3,-0.6 -1,-0.3 -0.913 59.2-133.9-165.1 138.7 62.3 61.7 20.4 27 46 A E T 3 S+ 0 0 107 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.656 103.4 62.4 -68.0 -19.4 60.3 61.5 23.6 28 47 A D T 3 S+ 0 0 43 60,-0.1 62,-1.7 2,-0.0 2,-0.5 0.421 81.5 99.2 -86.4 -4.4 57.4 59.7 21.7 29 48 A W E < -c 90 0A 23 -3,-1.4 2,-0.3 -6,-0.2 62,-0.2 -0.779 50.1-173.4 -95.6 122.1 59.4 56.6 20.8 30 49 A E E -c 91 0A 19 60,-3.1 62,-2.9 -2,-0.5 2,-0.4 -0.830 9.4-147.5-110.4 153.9 59.2 53.4 22.9 31 50 A V E -c 92 0A 28 -2,-0.3 62,-0.2 60,-0.2 60,-0.0 -0.967 9.7-160.8-125.7 135.7 61.2 50.2 22.5 32 51 A V E -c 93 0A 5 60,-2.8 62,-2.1 -2,-0.4 43,-0.1 -0.848 24.2-155.6-111.0 95.3 60.3 46.5 23.1 33 52 A P - 0 0 78 0, 0.0 41,-0.0 0, 0.0 -2,-0.0 -0.268 26.9 -99.4 -72.6 154.4 63.6 44.7 23.6 34 53 A E - 0 0 28 1,-0.1 2,-2.8 59,-0.1 3,-0.4 -0.595 36.3-123.5 -65.5 125.3 64.0 41.0 22.9 35 54 A P > + 0 0 32 0, 0.0 4,-1.4 0, 0.0 3,-0.5 -0.040 60.9 143.1 -69.1 47.5 63.8 39.3 26.3 36 55 A V H > + 0 0 19 -2,-2.8 4,-0.8 1,-0.2 3,-0.5 0.884 67.4 53.5 -56.4 -43.5 67.2 37.6 25.9 37 56 A A H >4 S+ 0 0 86 -3,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.893 108.2 51.6 -57.4 -40.2 68.3 38.0 29.5 38 57 A R H >4 S+ 0 0 50 -3,-0.5 3,-1.3 1,-0.2 -1,-0.2 0.786 100.4 64.0 -66.4 -30.8 65.0 36.3 30.6 39 58 A W H 3< S+ 0 0 16 -4,-1.4 10,-1.3 -3,-0.5 9,-0.9 0.698 96.8 56.0 -70.1 -21.4 65.6 33.3 28.3 40 59 A C T << S+ 0 0 39 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.408 117.6 34.1 -94.3 5.8 68.7 32.3 30.1 41 60 A N S < S- 0 0 69 -3,-1.3 -1,-0.3 -4,-0.1 6,-0.2 -0.628 84.5-150.8-155.5 98.2 66.8 32.1 33.4 42 61 A V 0 0 46 4,-2.2 4,-0.2 -3,-0.2 -3,-0.1 -0.365 360.0 360.0 -80.0 141.7 63.1 30.9 33.2 43 62 A Q 0 0 191 -2,-0.1 -1,-0.1 2,-0.1 -5,-0.0 0.249 360.0 360.0-150.5 360.0 60.2 31.8 35.5 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 78 A G 0 0 78 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 161.2 65.8 28.7 37.0 46 79 A G - 0 0 45 -4,-0.2 -4,-2.2 -5,-0.1 2,-0.9 -0.319 360.0-127.9 -72.7 153.4 67.0 26.8 33.9 47 80 A N > + 0 0 29 -6,-0.2 4,-1.8 1,-0.2 -7,-0.2 -0.825 31.2 172.4-103.0 90.8 68.9 28.3 31.1 48 81 A V H > S+ 0 0 13 -2,-0.9 4,-2.0 -9,-0.9 -8,-0.2 0.726 76.9 60.7 -77.8 -23.3 66.8 27.3 28.1 49 82 A L H > S+ 0 0 3 -10,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.918 106.3 47.8 -64.6 -45.5 68.9 29.5 25.7 50 83 A Q H > S+ 0 0 98 2,-0.2 4,-3.0 -11,-0.2 -2,-0.2 0.928 109.7 52.2 -56.0 -47.5 71.9 27.4 26.7 51 84 A M H X S+ 0 0 46 -4,-1.8 4,-3.2 2,-0.2 8,-0.3 0.916 104.7 57.6 -60.9 -42.3 70.0 24.1 26.2 52 85 A M H < S+ 0 0 3 -4,-2.0 7,-0.2 1,-0.2 -1,-0.2 0.949 116.5 33.3 -48.1 -56.7 69.0 25.3 22.7 53 86 A Y H < S+ 0 0 63 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.776 116.5 57.1 -73.9 -28.6 72.7 25.7 21.7 54 87 A E H < S+ 0 0 118 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.919 132.6 2.3 -69.7 -42.4 73.9 22.8 23.8 55 88 A K >X + 0 0 113 -4,-3.2 4,-2.3 -5,-0.2 3,-1.1 -0.600 66.1 175.4-146.4 82.8 71.5 20.3 22.0 56 89 A P H 3> S+ 0 0 43 0, 0.0 4,-1.8 0, 0.0 5,-0.3 0.773 82.0 58.5 -61.7 -30.0 69.5 21.8 19.2 57 90 A E H 34 S+ 0 0 139 1,-0.2 58,-0.2 2,-0.2 4,-0.2 0.808 116.1 35.8 -68.4 -29.9 68.0 18.5 18.2 58 91 A R H <4 S+ 0 0 114 -3,-1.1 4,-0.3 -7,-0.2 -1,-0.2 0.866 130.4 25.7 -88.2 -39.4 66.5 18.2 21.7 59 92 A W H X S+ 0 0 49 -4,-2.3 4,-3.2 -8,-0.3 5,-0.3 0.511 86.9 95.3-113.9 -10.1 65.6 21.8 22.6 60 93 A S H X S+ 0 0 0 -4,-1.8 4,-3.6 53,-0.3 5,-0.3 0.921 91.4 46.1 -49.8 -54.0 65.0 23.8 19.4 61 94 A F H > S+ 0 0 44 52,-0.3 4,-2.0 -5,-0.3 5,-0.3 0.920 115.0 46.5 -58.7 -45.9 61.2 23.3 19.5 62 95 A T H > S+ 0 0 55 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.964 119.5 40.2 -63.2 -49.5 61.0 24.1 23.2 63 96 A F H X S+ 0 0 10 -4,-3.2 4,-3.2 2,-0.2 5,-0.2 0.941 113.6 52.0 -61.5 -51.9 63.1 27.2 23.0 64 97 A Q H X S+ 0 0 8 -4,-3.6 4,-2.0 -5,-0.3 -1,-0.2 0.878 113.1 44.2 -59.4 -42.9 61.7 28.5 19.7 65 98 A T H X S+ 0 0 26 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.879 115.9 47.7 -69.3 -39.0 58.2 28.4 20.9 66 99 A Y H X S+ 0 0 70 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.863 110.4 53.3 -64.4 -37.7 59.1 29.9 24.3 67 100 A A H X S+ 0 0 6 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.951 112.3 43.8 -62.4 -46.5 61.1 32.6 22.5 68 101 A C H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.868 113.0 50.2 -72.2 -38.2 58.2 33.6 20.4 69 102 A L H X S+ 0 0 53 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.934 110.3 49.9 -62.7 -47.8 55.6 33.5 23.2 70 103 A S H X S+ 0 0 17 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.806 111.6 50.8 -64.4 -26.7 57.7 35.7 25.4 71 104 A M H X S+ 0 0 7 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.947 108.8 49.9 -71.9 -49.9 58.1 38.1 22.5 72 105 A I H X S+ 0 0 8 -4,-2.6 4,-3.1 1,-0.2 3,-0.3 0.960 112.0 48.5 -50.4 -55.6 54.3 38.2 21.8 73 106 A R H X S+ 0 0 168 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.880 111.7 48.1 -55.3 -43.8 53.6 38.9 25.5 74 107 A A H X S+ 0 0 33 -4,-1.5 4,-0.8 -5,-0.2 -1,-0.3 0.849 114.2 47.7 -66.6 -33.4 56.2 41.7 25.8 75 108 A Q H >X S+ 0 0 5 -4,-2.1 4,-0.8 -3,-0.3 3,-0.6 0.931 111.7 47.8 -74.8 -47.8 54.9 43.3 22.6 76 109 A L H >X S+ 0 0 35 -4,-3.1 4,-1.8 1,-0.2 3,-0.6 0.849 108.6 57.4 -55.7 -37.2 51.2 43.1 23.6 77 110 A A H 3X S+ 0 0 65 -4,-2.0 4,-0.7 -5,-0.3 -1,-0.2 0.744 102.7 53.5 -70.9 -24.6 52.2 44.6 27.0 78 111 A S H << S+ 0 0 35 -4,-0.8 5,-0.3 -3,-0.6 -1,-0.2 0.712 108.3 50.3 -76.4 -23.9 53.7 47.6 25.3 79 112 A L H << S+ 0 0 32 -4,-0.8 4,-0.2 -3,-0.6 -2,-0.2 0.866 116.8 38.2 -80.5 -44.2 50.5 48.3 23.4 80 113 A N H < S+ 0 0 138 -4,-1.8 2,-3.7 1,-0.2 -2,-0.2 0.681 91.0 103.7 -71.5 -24.7 48.3 48.1 26.5 81 114 A G S < S- 0 0 37 -4,-0.7 -1,-0.2 -5,-0.2 -4,-0.1 -0.148 93.5-115.4 -69.2 49.1 51.0 49.9 28.4 82 115 A K S S+ 0 0 86 -2,-3.7 -1,-0.2 1,-0.2 -2,-0.1 0.626 79.1 126.4 22.0 48.9 49.2 53.3 28.4 83 116 A L + 0 0 117 -5,-0.3 2,-0.7 -4,-0.2 3,-0.5 -0.017 43.8 102.5-111.4 21.3 51.9 55.0 26.3 84 117 A K + 0 0 65 1,-0.2 3,-0.1 -4,-0.1 -2,-0.0 -0.943 56.9 73.4 -97.3 107.0 49.0 56.0 24.0 85 118 A D S S+ 0 0 104 -2,-0.7 -1,-0.2 1,-0.3 2,-0.1 0.092 71.1 107.0 169.2 -15.1 48.5 59.7 25.0 86 119 A A S S- 0 0 45 -3,-0.5 -1,-0.3 -58,-0.1 -3,-0.0 -0.452 80.4-106.5 -84.4 159.6 51.7 61.1 23.4 87 120 A E S S- 0 0 184 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.954 101.7 -2.0 -52.6 -76.0 51.6 63.2 20.2 88 121 A K S S- 0 0 67 2,-0.0 -1,-0.2 -86,-0.0 2,-0.2 -0.764 83.6-159.2-123.2 82.7 52.9 60.8 17.4 89 122 A P - 0 0 21 0, 0.0 -86,-2.2 0, 0.0 2,-0.4 -0.414 9.6-172.3 -71.2 131.4 53.8 57.5 19.2 90 123 A V E -ac 3 29A 9 -62,-1.7 -60,-3.1 -88,-0.2 2,-0.5 -0.991 5.8-161.9-124.7 132.5 56.2 55.0 17.6 91 124 A L E -ac 4 30A 7 -88,-3.1 -86,-2.8 -2,-0.4 2,-0.5 -0.966 6.1-156.4-119.6 112.7 56.9 51.6 19.0 92 125 A F E -ac 5 31A 0 -62,-2.9 -60,-2.8 -2,-0.5 2,-0.4 -0.808 6.9-155.7 -90.6 125.9 60.1 49.7 17.9 93 126 A F E -ac 6 32A 0 -88,-3.1 -86,-2.7 -2,-0.5 2,-0.8 -0.854 15.9-132.8 -97.0 135.9 60.0 45.9 18.2 94 127 A E E S-a 7 0A 6 -62,-2.1 -86,-0.1 -2,-0.4 -88,-0.1 -0.867 80.4 -31.2 -84.6 112.3 63.3 44.0 18.5 95 128 A R S S- 0 0 13 -88,-2.4 2,-0.3 -2,-0.8 -88,-0.2 0.038 81.9-128.0 56.6-177.3 62.6 41.3 15.9 96 129 A S > - 0 0 1 -90,-0.1 4,-2.5 1,-0.1 5,-0.1 -0.932 26.3 -89.3-153.1 171.9 59.1 40.1 15.4 97 130 A V H > S+ 0 0 8 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.809 120.9 61.4 -55.1 -31.0 56.9 37.1 15.2 98 131 A Y H > S+ 0 0 2 2,-0.2 4,-4.0 1,-0.2 5,-0.4 0.952 108.2 37.1 -68.2 -50.7 57.7 36.9 11.5 99 132 A S H >>S+ 0 0 0 2,-0.2 4,-2.2 3,-0.2 5,-2.0 0.931 110.3 62.8 -67.0 -39.5 61.4 36.4 11.8 100 133 A A H <>S+ 0 0 9 -4,-2.5 5,-2.7 3,-0.2 -1,-0.2 0.938 121.7 23.0 -47.4 -46.8 61.0 34.3 14.8 101 134 A R H <>S+ 0 0 12 -4,-1.9 5,-1.9 3,-0.2 -2,-0.2 0.942 128.1 41.9 -84.4 -55.5 59.1 31.9 12.5 102 135 A Y H <5S+ 0 0 25 -4,-4.0 -3,-0.2 -5,-0.2 -2,-0.2 0.693 131.0 20.2 -78.2 -15.0 60.2 32.6 9.0 103 136 A I T X5S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.4 -3,-0.2 0.763 130.3 29.8-113.6 -68.8 63.9 32.9 9.8 104 137 A F H >S+ 0 0 4 -4,-1.4 5,-2.7 2,-0.2 6,-1.1 0.824 110.3 52.0 -72.0 -33.9 66.3 24.9 12.5 109 142 A Y H ><5S+ 0 0 55 -4,-2.0 3,-1.4 4,-0.2 -2,-0.2 0.918 110.5 48.6 -63.5 -42.6 63.6 22.8 10.9 110 143 A E H 3<5S+ 0 0 126 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.783 108.2 54.4 -70.0 -27.4 65.6 22.8 7.7 111 144 A S T 3<5S- 0 0 40 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.310 119.1-114.2 -83.3 6.0 68.7 21.8 9.6 112 145 A E T < 5S+ 0 0 166 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.682 85.6 123.0 65.3 19.4 66.8 18.8 11.0 113 146 A C S - 0 0 86 -2,-0.4 4,-2.9 -58,-0.2 5,-0.2 -0.317 35.6 -93.9 -84.1 174.4 61.2 17.1 13.0 116 149 A E H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.865 126.0 51.2 -57.4 -40.0 58.0 17.4 10.9 117 150 A T H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.950 111.9 45.9 -65.0 -46.7 55.8 17.0 14.0 118 151 A E H > S+ 0 0 46 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.941 114.7 47.6 -59.2 -48.8 57.6 19.7 15.9 119 152 A W H X S+ 0 0 27 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.914 112.4 49.5 -61.1 -46.0 57.5 22.0 12.8 120 153 A T H X S+ 0 0 77 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.930 113.5 45.3 -57.7 -48.3 53.8 21.4 12.2 121 154 A I H X S+ 0 0 84 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.940 112.0 52.9 -65.1 -43.7 52.9 22.0 15.9 122 155 A Y H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.926 112.8 43.9 -52.4 -49.2 55.1 25.2 15.9 123 156 A Q H X S+ 0 0 48 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.907 112.7 51.0 -64.7 -44.8 53.3 26.6 12.8 124 157 A D H X S+ 0 0 112 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.849 113.3 45.1 -62.7 -38.7 49.9 25.7 14.0 125 158 A W H X S+ 0 0 54 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.906 111.3 54.6 -69.8 -41.1 50.5 27.4 17.3 126 159 A H H X S+ 0 0 3 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.934 109.0 47.2 -57.3 -51.1 52.1 30.4 15.4 127 160 A D H X S+ 0 0 54 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.845 112.4 49.9 -55.4 -42.8 48.9 30.9 13.3 128 161 A W H X S+ 0 0 135 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.940 110.5 48.5 -70.7 -46.2 46.7 30.6 16.3 129 162 A M H X S+ 0 0 24 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.842 112.1 54.9 -52.1 -36.6 48.7 33.1 18.2 130 163 A N H X S+ 0 0 25 -4,-1.8 4,-1.2 -5,-0.2 5,-0.2 0.946 107.0 43.1 -71.6 -49.0 48.5 35.3 15.1 131 164 A N H < S+ 0 0 112 -4,-2.5 4,-0.2 2,-0.2 -1,-0.2 0.796 116.3 50.5 -70.6 -25.0 44.7 35.4 14.5 132 165 A Q H < S+ 0 0 102 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.970 135.8 6.8 -68.5 -55.7 44.1 36.0 18.3 133 166 A F H < S+ 0 0 76 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 -0.098 102.1 103.2-121.5 35.0 46.6 38.9 18.6 134 167 A G S >< S+ 0 0 4 -4,-1.2 3,-1.7 2,-0.2 4,-0.5 0.962 73.8 53.3 -82.6 -54.0 47.7 39.5 15.0 135 168 A Q G > S+ 0 0 158 1,-0.3 3,-1.3 -5,-0.2 -1,-0.1 0.878 108.0 52.8 -51.5 -44.6 45.8 42.7 14.0 136 169 A S G 3 S+ 0 0 46 1,-0.2 -1,-0.3 0, 0.0 -2,-0.2 0.725 111.0 47.7 -64.1 -21.1 47.1 44.6 17.1 137 170 A L G < S+ 0 0 9 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.375 77.9 137.7-103.7 6.6 50.8 43.7 16.2 138 171 A E < - 0 0 79 -3,-1.3 2,-0.3 -4,-0.5 -134,-0.2 -0.250 50.8-124.9 -61.3 134.8 50.7 44.6 12.5 139 172 A L - 0 0 8 1,-0.1 -134,-0.2 -136,-0.1 3,-0.1 -0.584 21.4-169.5 -87.8 140.9 53.9 46.4 11.3 140 173 A D S S- 0 0 66 -136,-2.9 2,-0.3 1,-0.3 -135,-0.2 0.598 76.2 -4.0 -94.8 -16.1 53.9 49.7 9.6 141 174 A G E -b 5 0A 0 -137,-1.1 -135,-2.0 57,-0.2 2,-0.4 -0.989 58.3-137.7-170.1 163.7 57.6 49.4 8.7 142 175 A I E -bd 6 200A 1 57,-1.8 59,-3.0 -2,-0.3 2,-0.5 -0.994 4.6-157.1-137.4 139.1 60.8 47.4 9.1 143 176 A I E -bd 7 201A 0 -137,-3.1 -135,-3.2 -2,-0.4 2,-0.7 -0.984 12.1-159.6-117.7 117.2 64.4 48.4 9.7 144 177 A Y E -bd 8 202A 3 57,-3.2 59,-2.9 -2,-0.5 2,-0.9 -0.881 5.1-156.3-100.9 109.6 67.0 45.9 8.6 145 178 A L E - d 0 203A 2 -137,-3.1 2,-0.5 -2,-0.7 -135,-0.5 -0.811 22.4-157.2 -85.2 106.6 70.4 46.3 10.2 146 179 A Q E + d 0 204A 39 57,-3.3 59,-3.5 -2,-0.9 2,-0.3 -0.784 25.4 150.5 -98.6 124.1 72.5 44.6 7.6 147 180 A A - 0 0 4 -2,-0.5 -137,-0.2 57,-0.2 -134,-0.1 -0.989 46.4 -98.0-146.8 149.9 75.9 43.1 8.4 148 181 A T > - 0 0 51 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.316 32.2-118.8 -62.6 146.9 78.0 40.3 7.0 149 182 A P H > S+ 0 0 6 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.870 117.6 57.0 -50.9 -35.5 77.9 37.0 8.8 150 183 A E H > S+ 0 0 97 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.881 105.4 48.7 -66.2 -38.5 81.6 37.5 9.4 151 184 A T H > S+ 0 0 29 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.919 111.4 50.6 -64.2 -45.8 81.1 40.8 11.2 152 185 A C H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 5,-0.2 0.926 105.6 55.7 -57.0 -47.6 78.4 39.2 13.3 153 186 A L H X S+ 0 0 66 -4,-2.6 4,-1.1 1,-0.2 3,-0.3 0.895 109.1 47.2 -54.8 -42.0 80.7 36.4 14.3 154 187 A H H X S+ 0 0 108 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.871 110.7 53.1 -66.4 -35.2 83.3 39.0 15.5 155 188 A R H X S+ 0 0 52 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.725 100.5 58.7 -77.3 -18.1 80.5 40.8 17.4 156 189 A I H X S+ 0 0 4 -4,-1.7 4,-1.8 -3,-0.3 5,-0.5 0.860 109.9 46.7 -72.1 -36.0 79.4 37.6 19.2 157 190 A Y H < S+ 0 0 165 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.906 112.2 48.8 -67.6 -46.1 83.0 37.6 20.5 158 191 A L H < S+ 0 0 109 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.949 113.8 45.4 -62.5 -47.4 83.0 41.3 21.5 159 192 A R H < S- 0 0 146 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.898 92.4-155.2 -63.9 -41.7 79.7 41.1 23.3 160 193 A G < + 0 0 31 -4,-1.8 2,-0.6 1,-0.2 -3,-0.1 0.760 22.4 171.4 72.1 28.1 80.7 37.9 25.1 161 194 A R > - 0 0 53 -5,-0.5 3,-1.6 1,-0.1 4,-0.4 -0.638 30.0-141.0 -72.3 113.9 77.3 36.4 25.9 162 195 A N G > S+ 0 0 128 -2,-0.6 3,-1.4 1,-0.3 4,-0.3 0.793 93.2 53.7 -46.1 -50.0 78.2 32.9 27.1 163 196 A E G 3 S+ 0 0 31 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.744 111.1 47.5 -63.7 -24.6 75.5 30.8 25.5 164 197 A E G X S+ 0 0 14 -3,-1.6 3,-1.7 1,-0.2 -1,-0.3 0.460 82.2 94.6 -98.7 -2.2 76.3 32.2 22.1 165 198 A Q T < S+ 0 0 85 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.727 83.0 54.7 -66.9 -23.2 80.0 31.7 22.2 166 199 A G T 3 S+ 0 0 72 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.490 75.6 125.1 -84.2 -5.1 79.8 28.4 20.4 167 200 A I < - 0 0 11 -3,-1.7 2,-0.1 1,-0.1 -11,-0.1 -0.370 53.3-142.7 -61.8 121.3 77.8 29.7 17.4 168 201 A P >> - 0 0 74 0, 0.0 4,-1.4 0, 0.0 3,-0.7 -0.505 20.1-114.1 -82.1 157.7 79.6 28.8 14.2 169 202 A L H 3> S+ 0 0 55 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.882 114.0 63.9 -48.3 -47.5 79.9 31.0 11.1 170 203 A E H 3> S+ 0 0 138 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.858 101.7 49.6 -46.6 -45.9 77.8 28.4 9.1 171 204 A Y H <> S+ 0 0 27 -3,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.932 113.1 46.0 -61.6 -48.8 74.8 29.0 11.4 172 205 A L H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.817 108.4 57.1 -63.0 -35.6 75.1 32.8 10.9 173 206 A E H X S+ 0 0 68 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.960 106.5 48.9 -62.4 -47.4 75.5 32.4 7.1 174 207 A K H X S+ 0 0 79 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.904 112.3 48.4 -56.4 -44.9 72.2 30.5 6.9 175 208 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.856 109.3 55.3 -62.4 -37.7 70.5 33.3 9.0 176 209 A H H X S+ 0 0 22 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.943 106.8 47.1 -61.2 -49.2 72.1 35.9 6.7 177 210 A Y H X S+ 0 0 150 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.862 111.6 51.4 -67.8 -32.8 70.7 34.5 3.5 178 211 A K H X S+ 0 0 33 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.891 110.5 48.7 -71.5 -35.7 67.2 34.1 4.9 179 212 A H H X>S+ 0 0 0 -4,-2.1 4,-3.5 2,-0.2 5,-0.5 0.957 113.7 47.1 -61.9 -45.9 67.3 37.7 6.1 180 213 A E H X>S+ 0 0 24 -4,-2.7 5,-2.9 1,-0.2 4,-1.8 0.900 111.4 50.8 -66.1 -40.6 68.5 38.8 2.6 181 214 A S H <5S+ 0 0 35 -4,-2.7 6,-2.5 3,-0.2 7,-1.4 0.876 120.0 36.7 -59.0 -39.3 65.8 36.7 0.9 182 215 A W H <5S+ 0 0 10 -4,-1.8 -2,-0.2 4,-0.2 -1,-0.2 0.891 131.1 23.7 -81.6 -43.3 63.2 38.3 3.1 183 216 A L H <5S+ 0 0 4 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.646 131.1 29.7-106.5 -20.1 64.3 41.9 3.4 184 217 A L T < - 0 0 29 1,-0.2 3,-1.1 2,-0.0 4,-0.4 -0.875 59.6-168.5-118.5 97.8 51.0 37.4 5.6 193 226 A D G > S+ 0 0 157 -2,-0.7 3,-1.9 1,-0.2 4,-0.3 0.894 83.4 59.9 -47.3 -51.6 50.1 39.2 2.4 194 227 A Y G >> S+ 0 0 56 1,-0.3 3,-1.9 2,-0.2 4,-1.1 0.752 89.3 71.8 -57.9 -27.8 50.7 42.7 3.9 195 228 A L G <4 S+ 0 0 3 -3,-1.1 -1,-0.3 1,-0.3 3,-0.2 0.795 88.3 63.3 -59.3 -29.3 54.4 42.0 4.7 196 229 A Q G <4 S+ 0 0 106 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.621 109.9 38.3 -74.3 -13.0 55.2 42.1 1.0 197 230 A E T <4 S+ 0 0 84 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.530 86.8 117.5-108.9 -13.9 54.2 45.8 0.7 198 231 A V S < S- 0 0 7 -4,-1.1 -57,-0.2 -3,-0.2 -58,-0.1 -0.323 72.9-109.7 -58.8 130.9 55.5 47.0 4.1 199 232 A P - 0 0 55 0, 0.0 -57,-1.8 0, 0.0 2,-0.4 -0.380 35.2-161.7 -62.7 143.2 58.3 49.7 3.8 200 233 A I E -d 142 0A 34 -59,-0.2 2,-0.6 -2,-0.1 -57,-0.2 -0.996 11.6-157.3-132.5 123.9 61.8 48.5 4.7 201 234 A L E -d 143 0A 28 -59,-3.0 -57,-3.2 -2,-0.4 2,-0.6 -0.921 11.8-157.9 -98.2 120.1 64.8 50.6 5.5 202 235 A T E -d 144 0A 47 -2,-0.6 2,-0.4 -59,-0.2 -57,-0.2 -0.875 10.1-174.2 -95.3 117.8 68.1 48.8 5.0 203 236 A L E -d 145 0A 0 -59,-2.9 -57,-3.3 -2,-0.6 2,-0.6 -0.959 21.5-135.3-113.1 132.5 71.0 50.2 7.0 204 237 A D E +d 146 0A 85 -2,-0.4 3,-0.2 -59,-0.2 -57,-0.2 -0.748 24.9 177.4 -87.5 119.9 74.6 48.8 6.4 205 238 A V + 0 0 14 -59,-3.5 -58,-0.1 -2,-0.6 -1,-0.1 0.027 44.7 109.3-117.6 28.7 76.1 48.4 9.9 206 239 A N + 0 0 52 -60,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.807 68.3 71.3 -71.0 -29.4 79.5 46.8 9.0 207 240 A E S S- 0 0 117 -3,-0.2 2,-0.1 1,-0.2 5,-0.1 -0.283 104.7 -70.0 -83.0 171.9 81.4 50.0 10.0 208 241 A D > - 0 0 121 1,-0.1 3,-0.6 3,-0.1 4,-0.5 -0.353 34.4-135.2 -62.5 134.4 81.9 51.2 13.5 209 242 A F G >> S+ 0 0 57 1,-0.2 4,-1.4 2,-0.2 3,-0.6 0.783 99.6 71.7 -59.5 -27.6 78.8 52.6 15.2 210 243 A K G 34 S+ 0 0 188 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.910 107.1 29.3 -56.2 -50.1 80.9 55.6 16.3 211 244 A D G <4 S+ 0 0 146 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.263 120.8 51.2-100.5 15.0 81.3 57.3 12.9 212 245 A K T <> S+ 0 0 66 -3,-0.6 4,-2.9 -4,-0.5 3,-0.2 0.520 82.6 93.1-118.0 -16.0 78.0 56.1 11.3 213 246 A Y H X S+ 0 0 75 -4,-1.4 4,-2.5 1,-0.2 5,-0.2 0.905 83.4 48.9 -37.3 -67.2 75.7 57.2 14.1 214 247 A E H > S+ 0 0 75 -4,-0.3 4,-1.5 1,-0.3 -1,-0.2 0.850 115.5 44.3 -54.0 -42.4 74.8 60.7 12.7 215 248 A S H > S+ 0 0 42 -3,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.905 110.1 54.3 -68.8 -41.9 74.0 59.4 9.2 216 249 A L H X S+ 0 0 10 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.939 107.0 53.4 -57.9 -44.8 72.0 56.4 10.5 217 250 A V H X S+ 0 0 16 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.905 107.6 48.3 -55.1 -48.3 69.8 58.8 12.6 218 251 A E H X S+ 0 0 130 -4,-1.5 4,-3.4 1,-0.2 -1,-0.2 0.935 110.9 52.6 -61.9 -42.2 69.0 61.0 9.6 219 252 A K H X S+ 0 0 91 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.876 111.8 45.7 -57.3 -41.8 68.1 57.9 7.6 220 253 A V H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.948 114.1 47.2 -67.2 -51.5 65.7 56.8 10.4 221 254 A K H X S+ 0 0 101 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.928 114.6 47.8 -56.9 -44.9 64.1 60.2 10.8 222 255 A E H >X S+ 0 0 121 -4,-3.4 4,-1.1 -5,-0.2 3,-0.6 0.960 110.8 51.4 -60.2 -51.5 63.7 60.4 7.0 223 256 A F H 3< S+ 0 0 14 -4,-2.5 4,-0.5 1,-0.2 3,-0.3 0.856 106.4 53.9 -51.5 -44.3 62.2 56.9 6.8 224 257 A L H >< S+ 0 0 13 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.820 99.4 61.9 -65.4 -33.4 59.6 57.6 9.5 225 258 A S H << S+ 0 0 103 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.919 100.1 54.4 -57.9 -44.4 58.2 60.7 7.8 226 259 A T T 3< 0 0 84 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.615 360.0 360.0 -64.9 -17.0 57.2 58.6 4.7 227 260 A L < 0 0 77 -3,-1.0 -1,-0.2 -4,-0.5 -3,-0.1 -0.337 360.0 360.0 -80.4 360.0 55.1 56.2 6.9