==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-FEB-09 3GG5 . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.HUANG,L.M.GIBSON,B.J.BELL,L.L.LOVELACE,L.LEBIODA . 1130 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 793 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 13.6 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 3 0.3 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 . 125 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.5 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 4 4 2 4 0 1 2 3 2 2 3 1 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 2 1 8 0 0 3 1 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 26 A P 0 0 187 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.3 24.2 27.8 18.7 2 27 A P - 0 0 124 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.586 360.0-105.9 -28.5 139.6 27.2 25.1 18.1 3 28 A H > - 0 0 43 1,-0.1 3,-1.9 2,-0.1 4,-0.5 -0.451 17.4-138.8 -76.2 123.7 28.3 24.1 14.7 4 29 A G T >> S+ 0 0 21 -2,-0.4 3,-2.9 1,-0.3 4,-0.7 0.861 101.5 66.7 -46.7 -34.2 27.2 20.5 13.6 5 30 A E H 3> S+ 0 0 0 1,-0.3 4,-2.9 2,-0.2 3,-0.4 0.859 87.5 66.2 -66.1 -30.1 30.6 20.0 12.0 6 31 A L H <> S+ 0 0 90 -3,-1.9 4,-3.1 1,-0.2 -1,-0.3 0.841 90.4 67.0 -47.3 -27.5 32.1 20.1 15.5 7 32 A Q H <> S+ 0 0 88 -3,-2.9 4,-1.4 -4,-0.5 -1,-0.2 0.967 108.1 36.4 -61.9 -47.7 30.2 16.9 16.0 8 33 A Y H X S+ 0 0 4 -4,-0.7 4,-2.9 -3,-0.4 3,-0.4 0.953 116.3 51.5 -66.2 -47.4 32.5 15.1 13.5 9 34 A L H X S+ 0 0 11 -4,-2.9 4,-2.5 1,-0.3 3,-0.4 0.984 111.3 50.3 -57.2 -55.2 35.7 17.0 14.5 10 35 A G H X S+ 0 0 42 -4,-3.1 4,-1.4 -5,-0.3 -1,-0.3 0.811 104.8 56.5 -52.3 -29.1 34.8 15.9 18.0 11 36 A Q H X S+ 0 0 14 -4,-1.4 4,-2.3 -3,-0.4 -1,-0.3 0.898 107.7 50.2 -75.1 -38.1 34.4 12.3 16.9 12 37 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 -3,-0.4 5,-0.4 0.964 101.4 57.9 -68.6 -42.1 37.8 12.4 15.6 13 38 A Q H X S+ 0 0 100 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.929 111.8 50.7 -44.6 -29.7 39.3 13.9 18.8 14 39 A H H X S+ 0 0 60 -4,-1.4 4,-1.2 -5,-0.2 -2,-0.2 0.919 107.3 44.0 -74.6 -52.1 37.7 10.7 20.2 15 40 A I H >X S+ 0 0 0 -4,-2.3 4,-3.9 1,-0.2 3,-0.7 0.939 116.2 51.0 -70.8 -41.3 39.0 8.0 17.9 16 41 A L H 3< S+ 0 0 22 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.915 116.0 40.9 -54.7 -39.3 42.6 9.6 18.1 17 42 A R H 3< S+ 0 0 139 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.704 136.2 14.3 -87.9 -11.4 42.5 9.8 21.9 18 43 A C H << S+ 0 0 53 -4,-1.2 -3,-0.2 -3,-0.7 -2,-0.2 0.567 84.9 123.2-146.1 -6.0 40.9 6.3 22.3 19 44 A G < - 0 0 0 -4,-3.9 2,-0.3 -5,-0.2 14,-0.2 -0.191 46.0-143.6 -62.9 152.8 41.0 4.2 19.3 20 45 A V E -A 32 0A 31 12,-2.3 12,-3.0 566,-0.0 2,-0.3 -0.729 28.9 -93.3-112.9 163.3 42.5 0.9 19.3 21 46 A R E +A 31 0A 29 -2,-0.3 2,-0.3 10,-0.2 443,-0.2 -0.572 49.0 165.8 -76.3 144.0 44.4 -0.7 16.5 22 47 A K E -A 30 0A 6 8,-2.0 8,-1.6 -2,-0.3 2,-0.2 -0.898 26.9-135.8-164.0 129.9 42.5 -2.9 14.2 23 48 A D E -A 29 0A 36 -2,-0.3 6,-0.3 6,-0.2 5,-0.1 -0.528 17.9-137.9 -87.6 151.9 43.4 -4.3 10.8 24 49 A D > - 0 0 11 4,-2.8 3,-2.5 -2,-0.2 -1,-0.1 -0.190 45.5 -74.0 -90.9-164.3 40.9 -4.3 7.8 25 50 A R T 3 S+ 0 0 174 1,-0.3 408,-0.1 2,-0.1 -2,-0.0 0.786 133.7 49.9 -65.6 -16.8 40.4 -7.1 5.4 26 51 A T T 3 S- 0 0 103 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.234 118.3-104.7-108.0 16.9 43.6 -6.4 3.7 27 52 A G S < S+ 0 0 44 -3,-2.5 -2,-0.1 1,-0.3 -5,-0.0 0.058 75.4 136.1 91.2 -34.4 45.9 -6.3 6.9 28 53 A T - 0 0 49 -5,-0.1 -4,-2.8 1,-0.1 -1,-0.3 -0.344 51.4-132.1 -58.4 134.1 46.3 -2.3 7.0 29 54 A G E +A 23 0A 4 -6,-0.3 205,-1.2 -3,-0.1 2,-0.3 -0.528 28.0 178.8 -86.3 153.1 45.8 -1.2 10.5 30 55 A T E -AB 22 233A 0 -8,-1.6 -8,-2.0 -2,-0.2 2,-0.6 -0.877 36.5-107.8-142.1 173.3 43.6 1.6 11.8 31 56 A L E -AB 21 232A 1 201,-2.3 201,-2.4 -2,-0.3 2,-0.4 -0.962 50.0-176.5-110.5 117.1 42.6 3.3 15.0 32 57 A S E -AB 20 231A 2 -12,-3.0 -12,-2.3 -2,-0.6 2,-0.3 -0.930 22.6-176.1-131.7 142.3 38.9 2.1 15.6 33 58 A V E - B 0 230A 13 197,-2.8 197,-1.7 -2,-0.4 2,-0.6 -0.903 23.6-132.9-130.1 154.9 36.3 2.8 18.0 34 59 A F E + B 0 229A 9 -2,-0.3 195,-0.2 195,-0.2 194,-0.1 -0.804 66.7 26.2-124.8 103.1 32.9 1.1 18.0 35 60 A G E + 0 0 4 193,-1.5 2,-0.3 -2,-0.6 193,-0.2 0.379 61.1 153.9 121.5 99.8 29.6 2.9 18.3 36 61 A M E - B 0 227A 18 191,-1.9 191,-3.0 -3,-0.1 2,-0.3 -0.990 18.2-177.8-162.3 164.1 28.8 6.4 17.4 37 62 A Q E - B 0 226A 41 -2,-0.3 2,-0.3 189,-0.3 189,-0.2 -0.939 1.4-178.0-164.3 117.1 26.1 8.9 16.4 38 63 A A E - B 0 225A 0 187,-1.6 187,-3.8 -2,-0.3 2,-0.4 -0.910 20.5-140.1-118.0 158.8 26.2 12.6 15.5 39 64 A R E - B 0 224A 75 -2,-0.3 2,-0.5 185,-0.3 185,-0.2 -0.990 11.7-161.0-108.9 114.7 22.9 14.6 14.6 40 65 A Y E - B 0 223A 2 183,-3.2 183,-4.0 -2,-0.4 2,-0.2 -0.898 14.9-135.9-102.9 121.6 22.9 17.2 11.7 41 66 A S E - B 0 222A 47 -2,-0.5 181,-0.2 181,-0.3 4,-0.1 -0.608 15.0-172.7 -58.8 127.3 20.2 19.9 11.5 42 67 A L + 0 0 0 179,-3.3 2,-9.1 -2,-0.2 -1,-0.2 0.150 35.2 141.8 -98.9 4.5 19.1 20.1 7.8 43 68 A R S S- 0 0 108 178,-0.3 3,-0.1 1,-0.3 178,-0.1 -0.183 98.8 -67.7 -60.4 61.1 17.0 23.2 8.9 44 69 A D S S+ 0 0 69 -2,-9.1 -1,-0.3 1,-0.3 2,-0.3 0.497 113.5 114.1 46.5 49.4 18.2 24.0 5.8 45 70 A E - 0 0 79 -4,-0.1 -1,-0.3 208,-0.1 208,-0.2 -0.609 65.1-132.5 -93.6-157.4 21.9 24.4 6.2 46 71 A F - 0 0 0 206,-1.7 2,-2.6 -2,-0.3 -4,-0.1 -0.913 10.1-133.6-146.0 122.3 23.4 21.5 4.1 47 72 A P + 0 0 1 0, 0.0 2,-0.4 0, 0.0 156,-0.2 -0.439 49.8 146.3 -86.2 63.2 26.1 19.6 6.0 48 73 A L - 0 0 0 -2,-2.6 -2,-0.1 204,-0.1 -43,-0.1 -0.872 60.1 -98.3 -90.6 133.3 28.7 19.5 3.4 49 74 A L - 0 0 2 -2,-0.4 5,-0.4 1,-0.1 3,-0.1 -0.151 34.2-171.5 -77.3 133.4 32.0 19.7 5.2 50 75 A T S S+ 0 0 0 1,-0.2 229,-5.1 228,-0.1 3,-0.2 0.842 78.0 63.8 -84.8 -28.0 33.9 22.9 5.7 51 76 A T S S+ 0 0 0 1,-0.2 2,-0.2 227,-0.2 -1,-0.2 0.624 122.1 15.8 -83.1 -0.0 37.3 22.0 7.2 52 77 A K S S- 0 0 66 -3,-0.1 -1,-0.2 229,-0.1 2,-0.2 -0.832 87.7-101.5-164.5 143.1 37.8 20.1 4.0 53 78 A R - 0 0 152 226,-0.7 2,-0.2 227,-0.6 -3,-0.1 -0.324 31.0-161.8 -57.4 120.4 36.3 19.9 0.4 54 79 A V - 0 0 12 -5,-0.4 2,-1.7 -2,-0.2 -1,-0.1 -0.673 32.5-104.4 -83.8 155.5 34.1 16.9 -0.2 55 80 A F >> + 0 0 96 -2,-0.2 4,-1.3 1,-0.2 3,-1.2 -0.458 42.0 177.8 -86.5 79.6 33.4 15.9 -3.9 56 81 A W H >> S+ 0 0 36 -2,-1.7 4,-2.1 1,-0.3 3,-0.7 0.938 77.0 54.2 -48.8 -78.8 29.8 17.2 -4.5 57 82 A K H 3> S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.785 109.2 56.3 -15.1 -47.7 29.4 16.2 -8.1 58 83 A G H <> S+ 0 0 1 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.976 109.6 39.8 -60.2 -62.0 30.4 12.8 -6.9 59 84 A V H S+ 0 0 4 -4,-2.1 5,-1.7 -5,-0.2 -1,-0.3 0.910 112.2 31.5 -53.5 -48.2 23.0 6.7 -10.1 66 91 A F H ><5S+ 0 0 1 -4,-1.9 3,-2.5 1,-0.2 -1,-0.2 0.874 112.6 63.1 -80.5 -38.7 21.4 4.5 -7.3 67 92 A I H 3<5S+ 0 0 4 -4,-4.8 -1,-0.2 1,-0.3 -2,-0.2 0.963 101.1 51.7 -45.1 -51.2 18.3 6.3 -7.5 68 93 A K T 3<5S- 0 0 103 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.511 117.0-116.0 -67.6 3.6 18.0 5.0 -11.2 69 94 A G T < 5 + 0 0 12 -3,-2.5 -3,-0.2 1,-0.2 -1,-0.1 0.655 55.7 171.4 84.3 16.6 18.6 1.5 -9.9 70 95 A S < + 0 0 16 -5,-1.7 41,-0.3 1,-0.1 -1,-0.2 -0.218 29.3 177.3 -87.1 155.9 21.8 1.1 -11.7 71 96 A T + 0 0 9 53,-0.3 35,-2.9 40,-0.1 2,-0.8 0.127 52.5 96.8-130.8 23.5 24.4 -1.6 -11.3 72 97 A N B > -F 105 0B 10 33,-0.2 4,-1.0 1,-0.2 33,-0.2 -0.931 52.6-161.7-118.6 109.7 27.0 -0.8 -13.9 73 98 A A H > S+ 0 0 1 31,-2.8 4,-2.7 -2,-0.8 3,-0.4 0.856 102.1 60.7 -46.6 -33.8 30.0 1.0 -12.6 74 99 A K H > S+ 0 0 93 30,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.987 92.8 59.5 -60.6 -49.0 30.2 1.6 -16.2 75 100 A E H 4 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.806 111.9 45.6 -53.6 -19.6 26.8 3.4 -16.3 76 101 A L H >< S+ 0 0 2 -4,-1.0 3,-2.8 -3,-0.4 -1,-0.2 0.914 103.0 54.3 -94.5 -54.8 28.4 5.7 -13.9 77 102 A S H >< S+ 0 0 28 -4,-2.7 3,-2.3 1,-0.3 -1,-0.2 0.755 93.5 75.4 -49.3 -23.7 31.8 6.6 -15.3 78 103 A S T 3< S+ 0 0 81 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.901 96.3 50.4 -57.2 -24.9 29.9 7.6 -18.4 79 104 A K T < S- 0 0 79 -3,-2.8 -1,-0.3 2,-0.2 -2,-0.2 0.286 129.9 -97.2-105.1 13.9 29.1 10.6 -16.1 80 105 A G S < S+ 0 0 29 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.942 84.4 117.2 86.2 59.7 32.7 11.2 -15.2 81 106 A V - 0 0 3 -20,-0.1 4,-0.4 -5,-0.1 3,-0.3 -0.919 34.0-179.1-154.1 116.7 33.1 9.5 -11.8 82 107 A K > + 0 0 127 -2,-0.3 4,-0.9 1,-0.2 -5,-0.1 0.174 50.8 107.1-116.4 34.0 35.5 6.6 -11.1 83 108 A I T 4 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.2 -10,-0.0 0.741 97.6 26.9 -87.2 -28.4 34.8 5.9 -7.4 84 109 A W T >4 S+ 0 0 16 -3,-0.3 3,-3.5 -11,-0.2 -1,-0.2 0.777 103.7 85.0 -95.0 -31.1 33.0 2.8 -8.1 85 110 A D G >4 S+ 0 0 43 -4,-0.4 3,-1.8 1,-0.3 4,-0.4 0.733 79.9 68.6 -37.5 -33.2 34.8 2.1 -11.5 86 111 A A G 3< S+ 0 0 58 -4,-0.9 -1,-0.3 1,-0.3 3,-0.2 0.620 94.4 50.4 -66.1 -20.0 37.5 0.5 -9.7 87 112 A N G < S+ 0 0 32 -3,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.006 103.0 62.5-106.9 21.0 35.5 -2.6 -8.6 88 113 A G S < S+ 0 0 3 -3,-1.8 16,-3.8 -4,-0.1 17,-0.4 0.444 74.2 116.7-121.7 -8.1 34.2 -3.3 -12.1 89 114 A S S > S- 0 0 18 -4,-0.4 4,-3.2 -3,-0.2 3,-0.4 -0.453 75.8-117.1 -65.4 136.7 37.5 -4.0 -13.7 90 115 A R H > S+ 0 0 87 1,-0.3 4,-1.8 2,-0.2 5,-0.4 0.918 115.6 53.1 -41.2 -77.8 38.2 -7.6 -15.1 91 116 A D H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.829 113.7 41.6 -3.2 -75.8 41.0 -8.1 -12.7 92 117 A F H > S+ 0 0 92 -3,-0.4 4,-0.9 2,-0.2 -2,-0.2 0.865 113.7 51.9 -74.4 -37.3 38.8 -7.2 -9.7 93 118 A L H >X>S+ 0 0 6 -4,-3.2 3,-3.3 1,-0.2 4,-0.8 0.981 111.1 47.6 -52.8 -76.7 35.9 -9.0 -10.9 94 119 A D H ><5S+ 0 0 56 -4,-1.8 3,-0.9 1,-0.3 -2,-0.2 0.727 98.8 69.2 -21.6 -46.5 38.0 -12.1 -11.4 95 120 A S H 3<5S+ 0 0 98 -4,-2.6 -1,-0.3 -5,-0.4 -2,-0.2 0.908 104.4 42.8 -47.2 -38.3 39.5 -11.8 -7.9 96 121 A L H <<5S- 0 0 84 -3,-3.3 -1,-0.3 -4,-0.9 -2,-0.2 0.450 123.1-112.8-102.4 -8.6 36.1 -12.7 -6.6 97 122 A G T <<5S+ 0 0 50 -3,-0.9 2,-0.6 -4,-0.8 -3,-0.2 0.892 77.8 133.6 82.9 30.2 36.0 -15.3 -9.1 98 123 A F < + 0 0 40 -5,-0.8 -1,-0.3 -8,-0.2 -2,-0.2 -0.880 21.1 155.6-102.4 85.2 33.2 -13.8 -11.1 99 124 A S + 0 0 80 -2,-0.6 -1,-0.1 -6,-0.2 -5,-0.1 0.331 67.7 49.9 -92.0 -1.0 35.3 -14.5 -14.4 100 125 A T S S+ 0 0 119 2,-0.1 2,-0.1 -3,-0.1 -1,-0.1 0.842 80.5 91.0 -99.1 -58.5 32.1 -14.5 -16.5 101 126 A R S S- 0 0 31 1,-0.1 3,-0.1 4,-0.1 4,-0.1 -0.318 85.0-114.2 -65.9 119.3 30.1 -11.4 -15.6 102 127 A E > - 0 0 133 1,-0.1 3,-1.5 -2,-0.1 -1,-0.1 -0.021 45.2 -58.4 -75.3 161.7 31.4 -8.8 -18.1 103 128 A E T 3 S+ 0 0 93 1,-0.2 -14,-0.2 -30,-0.0 -1,-0.1 0.085 118.3 13.4 -41.0 137.8 33.3 -5.6 -17.5 104 129 A G T 3 S+ 0 0 1 -16,-3.8 -31,-2.8 1,-0.2 2,-0.7 0.120 79.5 136.5 92.1 -13.6 31.6 -3.1 -15.0 105 130 A D B < -F 72 0B 3 -3,-1.5 -33,-0.2 -17,-0.4 -1,-0.2 -0.553 33.7-168.7 -81.3 105.8 28.8 -5.2 -13.5 106 131 A L - 0 0 0 -35,-2.9 60,-3.2 -2,-0.7 61,-0.3 0.503 33.0-126.5 -83.7 6.9 28.8 -4.5 -9.8 107 132 A G - 0 0 0 -36,-0.3 2,-1.3 58,-0.2 -1,-0.3 -0.374 63.6 -26.5 69.1-166.3 26.6 -7.3 -9.0 108 133 A P S S+ 0 0 0 0, 0.0 56,-0.1 0, 0.0 57,-0.1 -0.525 87.1 147.8 -71.0 85.5 23.4 -6.4 -6.9 109 134 A V >>> - 0 0 4 -2,-1.3 3,-5.1 -39,-0.1 4,-1.7 -0.186 59.4 -41.3-116.5-155.8 24.2 -3.3 -5.0 110 135 A Y H >>5S+ 0 0 13 1,-0.3 4,-2.2 2,-0.2 3,-0.8 0.757 131.3 49.3 -27.0 -64.2 22.6 -0.1 -3.5 111 136 A G H 345S+ 0 0 0 -41,-0.3 -1,-0.3 1,-0.3 -40,-0.1 0.533 115.6 38.8 -63.1 -6.5 20.6 0.5 -6.6 112 137 A F H X>5S+ 0 0 2 -3,-5.1 4,-1.4 2,-0.2 3,-0.8 0.776 117.6 47.1-112.5 -28.9 19.1 -2.9 -7.0 113 138 A Q H <<5S+ 0 0 0 -4,-1.7 22,-0.3 -3,-0.8 4,-0.3 0.577 109.9 62.6 -75.7 -21.7 18.5 -3.6 -3.2 114 139 A W T 3<< S+ 0 0 33 -4,-1.4 3,-2.1 3,-0.1 2,-1.0 -0.045 71.7 177.4-164.7 27.6 14.3 -4.9 -6.7 117 142 A F B 3 S+G 133 0C 3 16,-2.4 16,-1.0 -4,-0.3 -4,-0.1 -0.210 77.1 9.4 -51.1 94.3 15.0 -6.0 -3.2 118 143 A G T 3 S+ 0 0 20 -2,-1.0 -1,-0.3 1,-0.7 14,-0.1 -0.039 94.0 132.7 123.5 -26.8 14.8 -9.8 -3.2 119 144 A A < - 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0 0 173 -2,-0.2 2,-0.5 -44,-0.0 -44,-0.0 -0.880 35.1-149.8-144.7 113.2 30.5 -24.8 29.8 544 285 B V - 0 0 11 -2,-0.4 3,-0.1 1,-0.1 6,-0.1 -0.635 18.8-174.0-104.2 126.2 28.9 -24.6 26.6 545 286 B E S S+ 0 0 168 -2,-0.5 2,-0.2 1,-0.1 -1,-0.1 0.995 76.6 20.1 -78.6 -67.7 30.1 -26.0 23.3 546 287 B K S > S- 0 0 40 1,-0.1 3,-1.5 4,-0.0 4,-0.2 -0.688 78.9-117.1 -99.1 157.5 27.5 -24.8 20.7 547 288 B I G > S+ 0 0 2 1,-0.2 3,-1.5 -2,-0.2 -1,-0.1 0.829 111.8 57.7 -52.2 -39.2 24.9 -21.8 21.2 548 289 B D G 3 S+ 0 0 80 1,-0.3 -1,-0.2 -197,-0.1 -196,-0.0 0.553 90.9 74.5 -74.8 -8.0 21.8 -24.1 20.9 549 290 B D G < + 0 0 58 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.543 69.4 118.8 -85.0 -8.6 23.0 -26.1 23.8 550 291 B F < - 0 0 5 -3,-1.5 2,-0.3 -4,-0.2 3,-0.1 -0.121 42.1-170.0 -52.3 155.0 22.2 -23.4 26.4 551 292 B K > - 0 0 100 1,-0.1 3,-2.0 0, 0.0 -2,-0.0 -0.983 32.1-121.5-145.6 140.4 19.6 -24.1 29.2 552 293 B A G > S+ 0 0 18 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.929 110.9 69.2 -55.1 -42.2 18.1 -21.5 31.5 553 294 B E G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.601 85.8 77.4 -50.9 -13.2 19.5 -23.4 34.5 554 295 B D G < S+ 0 0 9 -3,-2.0 -13,-2.3 1,-0.1 2,-0.4 0.284 81.4 73.0 -81.7 1.3 22.8 -22.2 33.1 555 296 B F E < -O 540 0G 12 -3,-2.0 2,-0.5 -15,-0.2 -15,-0.2 -0.836 49.9-177.4-132.1 114.1 22.6 -18.5 34.3 556 297 B Q E -O 539 0G 112 -17,-2.1 -17,-1.8 -2,-0.4 2,-0.2 -0.836 19.5-146.2 -97.2 126.1 23.1 -17.1 37.9 557 298 B I E -O 538 0G 38 -2,-0.5 2,-0.2 -19,-0.2 -19,-0.2 -0.602 28.9-145.5 -76.0 157.2 22.6 -13.3 38.3 558 299 B E E -O 537 0G 73 -21,-1.9 -21,-0.6 -2,-0.2 3,-0.1 -0.828 54.3 -13.2-138.3 164.3 25.0 -12.0 41.0 559 300 B G S S+ 0 0 66 -2,-0.2 2,-1.2 1,-0.2 -1,-0.2 0.742 88.2 176.0 7.4 57.7 25.4 -9.5 43.9 560 301 B Y - 0 0 42 -24,-0.1 -1,-0.2 -3,-0.1 -25,-0.1 -0.499 22.1-172.7 -86.1 77.7 22.3 -8.2 42.0 561 302 B N - 0 0 106 -2,-1.2 2,-0.5 -26,-0.4 -28,-0.3 -0.528 8.1-179.4 -79.5 105.1 20.6 -5.2 43.6 562 303 B P - 0 0 25 0, 0.0 -227,-0.1 0, 0.0 -228,-0.1 -0.939 12.5-152.4 -92.6 119.2 17.2 -4.3 41.8 563 304 B H + 0 0 9 -2,-0.5 -227,-0.4 -227,-0.1 2,-0.2 -0.321 35.6 90.1 -88.2-173.1 14.9 -1.3 42.9 564 305 B P 0 0 10 0, 0.0 -228,-0.1 0, 0.0 -37,-0.0 0.850 360.0 360.0 -61.8-156.7 12.2 -0.1 43.0 565 306 B T 0 0 174 -2,-0.2 -229,-0.1 -230,-0.1 -230,-0.0 0.359 360.0 360.0 -94.0 360.0 10.3 -0.1 44.9 566 !* 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 0.0 567 26 C P 0 0 182 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.4 75.8 -14.2 5.2 568 27 C P - 0 0 119 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.314 360.0 -93.9 -60.5 153.2 72.5 -12.1 5.6 569 28 C H >> - 0 0 47 1,-0.2 3,-1.4 245,-0.1 4,-0.6 -0.338 20.3-137.2 -73.8 128.2 72.8 -8.6 6.4 570 29 C G H >> S+ 0 0 15 1,-0.3 4,-0.7 -3,-0.2 3,-0.7 0.912 100.1 66.9 -39.8 -48.2 72.7 -7.5 10.0 571 30 C E H >> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.8 0.844 84.4 72.1 -57.4 -24.8 70.4 -4.6 9.1 572 31 C L H X> S+ 0 0 82 -3,-1.4 4,-3.7 1,-0.3 3,-0.7 0.961 89.9 60.1 -57.7 -49.7 67.6 -6.9 8.2 573 32 C Q H - 0 0 15 4,-1.6 3,-1.5 -2,-0.4 -1,-0.1 -0.012 46.1 -74.3 -89.8-171.5 53.7 7.4 26.3 591 50 C R T 3 S+ 0 0 141 1,-0.3 -1,-0.1 2,-0.1 408,-0.0 0.711 127.9 51.8 -38.3 -33.7 54.2 9.9 29.1 592 51 C T T 3 S- 0 0 100 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.165 119.3-101.2-103.1 14.8 52.7 12.6 26.9 593 52 C G S < S+ 0 0 51 -3,-1.5 2,-0.4 1,-0.2 -2,-0.1 0.588 74.0 146.2 76.3 5.5 49.6 11.0 25.8 594 53 C T - 0 0 53 -5,-0.0 -4,-1.6 1,-0.0 -1,-0.2 -0.591 44.9-132.2 -87.8 132.4 51.0 10.1 22.4 595 54 C G E +P 589 0H 6 -2,-0.4 205,-1.0 -6,-0.2 -6,-0.3 -0.450 32.2 168.3 -74.4 156.4 49.8 6.8 20.9 596 55 C T E -PQ 588 799H 0 -8,-3.0 -8,-2.9 203,-0.2 2,-0.5 -0.891 38.0-108.3-143.5 177.3 52.5 4.3 19.4 597 56 C L E -PQ 587 798H 2 201,-1.9 201,-2.7 -2,-0.2 2,-0.4 -0.952 47.3-179.6-109.1 130.9 52.5 0.7 18.2 598 57 C S E -PQ 586 797H 3 -12,-1.6 -12,-1.7 -2,-0.5 2,-0.3 -0.980 27.5-174.9-140.6 145.6 54.3 -1.4 20.6 599 58 C V E - Q 0 796H 19 197,-3.5 197,-4.2 -2,-0.4 2,-0.7 -0.908 24.0-140.5-126.7 152.9 55.5 -5.0 21.2 600 59 C F E S+ Q 0 795H 4 -2,-0.3 195,-0.2 195,-0.2 194,-0.1 -0.913 70.9 33.1-125.2 99.5 57.1 -5.9 24.3 601 60 C G E + 0 0 3 193,-1.6 2,-0.3 -2,-0.7 -1,-0.2 0.685 62.2 149.2 119.3 87.8 60.0 -8.4 24.1 602 61 C M E - Q 0 793H 14 191,-1.4 191,-2.2 -3,-0.1 2,-0.3 -0.924 20.6-165.6-127.9 164.7 62.4 -8.5 21.1 603 62 C Q E - Q 0 792H 44 -2,-0.3 2,-0.4 189,-0.2 189,-0.2 -0.965 3.5-176.0-150.5 122.5 66.0 -9.4 20.6 604 63 C A E - Q 0 791H 1 187,-2.2 187,-2.7 -2,-0.3 2,-0.4 -0.974 13.1-151.4-115.0 147.3 68.3 -8.8 17.6 605 64 C R E - Q 0 790H 85 -2,-0.4 2,-0.5 185,-0.2 185,-0.2 -0.881 12.2-170.4-104.4 140.2 72.0 -10.1 17.3 606 65 C Y E - Q 0 789H 0 183,-2.6 183,-3.6 -2,-0.4 2,-0.4 -0.958 21.3-130.8-133.3 120.2 74.4 -8.0 15.2 607 66 C S E - Q 0 788H 33 -2,-0.5 181,-0.2 181,-0.2 -37,-0.1 -0.537 19.1-174.0 -69.4 125.3 77.7 -9.3 14.4 608 67 C L + 0 0 0 179,-1.9 2,-1.9 -2,-0.4 180,-0.2 0.172 38.0 135.8 -89.5 13.8 80.5 -6.8 15.1 609 68 C R S S- 0 0 77 1,-0.3 178,-0.1 178,-0.2 3,-0.1 -0.443 98.0 -43.8 -76.1 88.3 83.1 -9.1 13.6 610 69 C D S S+ 0 0 74 -2,-1.9 2,-0.4 1,-0.2 -1,-0.3 0.562 124.6 89.6 54.3 18.4 84.8 -6.1 11.6 611 70 C E S S- 0 0 57 208,-0.1 208,-0.2 -4,-0.1 -1,-0.2 -0.812 72.1-140.5-119.7 163.2 81.6 -4.4 10.3 612 71 C F - 0 0 0 -2,-0.4 2,-1.5 206,-0.1 -4,-0.1 -0.951 14.6-131.0-129.6 121.6 80.4 -1.9 12.6 613 72 C P + 0 0 0 0, 0.0 2,-0.7 0, 0.0 159,-0.1 -0.406 47.9 150.6 -78.3 82.7 76.5 -2.1 12.6 614 73 C L - 0 0 0 -2,-1.5 6,-0.2 158,-0.1 -2,-0.1 -0.858 53.9-116.8-110.2 96.6 75.8 1.6 12.2 615 74 C L > - 0 0 3 -2,-0.7 5,-0.6 150,-0.2 154,-0.0 0.164 30.1-169.6 -40.9 149.6 72.4 1.3 10.3 616 75 C T B 5 +U 619 0I 0 199,-0.2 229,-2.6 3,-0.1 3,-0.2 0.040 64.7 83.7-122.0 15.2 72.2 2.6 6.7 617 76 C T T 5S+ 0 0 0 1,-0.7 2,-0.3 227,-0.2 -1,-0.1 0.711 115.7 13.8 -96.9 -30.1 68.5 2.7 5.5 618 77 C K T 5S- 0 0 89 230,-0.0 -1,-0.7 228,-0.0 2,-0.2 -0.968 102.4-100.4-128.5 146.1 68.3 6.0 7.3 619 78 C R B 5 -U 616 0I 143 226,-0.6 2,-0.3 -2,-0.3 -3,-0.1 -0.255 31.0-152.2 -51.1 123.3 71.5 7.9 8.5 620 79 C V < - 0 0 9 -5,-0.6 2,-1.6 -2,-0.2 3,-0.2 -0.703 24.1-113.4 -98.1 160.9 72.4 7.7 12.1 621 80 C F >> + 0 0 101 -2,-0.3 4,-1.2 1,-0.2 3,-0.8 -0.444 39.5 172.8-102.2 83.6 74.2 10.4 13.8 622 81 C W H >> S+ 0 0 32 -2,-1.6 4,-3.6 1,-0.3 3,-0.9 0.855 70.9 60.6 -49.6 -46.5 77.5 8.9 14.6 623 82 C K H 3> S+ 0 0 98 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.925 105.6 49.1 -67.2 -36.1 79.2 12.0 15.9 624 83 C G H <> S+ 0 0 0 -3,-0.8 4,-1.4 1,-0.2 -1,-0.3 0.790 112.2 50.9 -61.0 -26.1 76.7 12.3 18.6 625 84 C V H X>S+ 0 0 20 -4,-1.2 4,-2.4 1,-0.3 3,-2.0 0.925 111.0 56.8 -62.4 -44.1 83.1 9.5 26.1 631 90 C W H 3X>S+ 0 0 1 -4,-3.3 5,-1.5 1,-0.3 4,-1.1 0.920 105.9 49.1 -59.9 -34.4 81.0 11.9 27.7 632 91 C F H 3<5S+ 0 0 2 -4,-1.8 -1,-0.3 -5,-0.2 48,-0.2 0.539 115.5 47.3 -60.8 -19.1 79.4 8.9 29.6 633 92 C I H <45S+ 0 0 5 -3,-2.0 -2,-0.2 -4,-0.4 -3,-0.2 0.828 106.1 49.7 -99.7 -61.2 83.0 7.8 30.4 634 93 C K H <5S- 0 0 98 -4,-2.4 -2,-0.2 -5,-0.0 -3,-0.2 0.956 113.5-145.8 -22.2 -56.2 84.5 11.1 31.6 635 94 C G T << + 0 0 13 -4,-1.1 -3,-0.2 -5,-0.7 -4,-0.1 0.925 33.1 170.9 71.4 51.2 81.2 10.3 33.3 636 95 C S < - 0 0 22 -5,-1.5 42,-0.3 1,-0.1 41,-0.3 -0.169 28.7-158.1 -63.2 177.6 79.8 13.8 33.7 637 96 C T + 0 0 8 40,-0.2 35,-4.3 53,-0.1 36,-0.9 -0.026 66.6 100.8-150.7 -1.0 76.2 14.0 34.8 638 97 C N B >> -V 671 0J 17 33,-0.3 3,-1.3 34,-0.2 4,-0.6 -0.888 61.5-154.3-105.1 122.2 76.1 17.5 33.3 639 98 C A H >> S+ 0 0 1 31,-4.3 3,-1.6 -2,-0.6 4,-1.4 0.823 90.3 60.7 -69.1 -31.9 74.5 18.2 30.0 640 99 C K H >> S+ 0 0 113 1,-0.3 4,-2.1 2,-0.2 3,-0.7 0.930 93.6 66.3 -55.6 -37.9 76.4 21.3 29.1 641 100 C E H <4 S+ 0 0 86 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.769 111.1 39.7 -57.0 -16.5 79.8 19.3 29.2 642 101 C L H X<>S+ 0 0 0 -3,-1.6 5,-1.0 -4,-0.6 3,-0.8 0.788 104.3 63.3-100.7 -27.8 78.3 17.6 26.4 643 102 C S H X<5S+ 0 0 18 -4,-1.4 3,-2.2 -3,-0.7 -2,-0.2 0.857 98.4 59.2 -72.0 -38.1 76.6 20.5 24.5 644 103 C S T 3<5S+ 0 0 79 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.788 94.6 65.5 -46.6 -36.5 80.0 22.0 23.9 645 104 C K T < 5S- 0 0 58 -3,-0.8 -1,-0.3 -5,-0.4 -2,-0.2 0.481 126.8-103.0 -73.5 3.4 80.7 18.7 22.2 646 105 C G T < 5S+ 0 0 28 -3,-2.2 2,-0.6 1,-0.1 -3,-0.2 0.640 86.0 128.4 79.9 24.9 78.1 19.8 19.5 647 106 C V >>< + 0 0 0 -5,-1.0 3,-0.9 -7,-0.2 4,-0.7 -0.748 22.5 159.4-131.1 93.7 75.6 17.3 21.1 648 107 C K H 3> + 0 0 127 -2,-0.6 4,-0.8 1,-0.3 -1,-0.2 0.639 51.3 97.5 -90.7 -14.5 72.3 18.7 22.0 649 108 C I H 34 S+ 0 0 77 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.843 99.2 32.0 -55.2 -28.1 70.5 15.4 22.2 650 109 C W H X4 S+ 0 0 27 -3,-0.9 3,-0.7 -11,-0.1 -1,-0.3 0.800 102.0 73.8-110.1 -13.3 71.0 15.7 25.7 651 110 C D H >< S+ 0 0 45 -4,-0.7 3,-4.2 -12,-0.2 2,-0.7 0.975 82.4 64.6 -57.8 -62.4 71.0 19.3 26.6 652 111 C A T 3< S+ 0 0 75 -4,-0.8 6,-0.2 1,-0.3 -1,-0.2 0.384 101.1 57.1 -56.1 2.2 66.8 20.4 26.4 653 112 C N T < S+ 0 0 46 -3,-0.7 -1,-0.3 -2,-0.7 -2,-0.1 0.203 101.8 51.6-100.5 -6.8 66.1 18.0 29.3 654 113 C G S < S+ 0 0 7 -3,-4.2 16,-0.5 -4,-0.1 -2,-0.2 0.435 93.2 133.9 -99.2 4.3 68.8 20.0 31.6 655 114 C S S > S- 0 0 25 -4,-0.4 4,-2.6 14,-0.1 3,-0.2 -0.372 71.9-117.2 -59.8 125.5 66.6 22.8 30.4 656 115 C R H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.710 106.6 39.9 -44.0 -55.2 65.8 24.9 32.8 657 116 C D H > S+ 0 0 124 2,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.957 116.5 50.6 -60.5 -59.2 61.8 24.6 33.0 658 117 C F H >4 S+ 0 0 98 2,-0.2 3,-1.8 1,-0.2 4,-0.4 0.950 109.4 54.2 -32.9 -58.6 61.9 20.8 32.4 659 118 C L H 3< S+ 0 0 20 -4,-2.6 3,-0.5 1,-0.3 -2,-0.3 0.936 110.4 45.5 -40.2 -53.7 64.4 20.9 35.2 660 119 C D H >< S+ 0 0 66 -4,-2.1 3,-1.4 1,-0.2 4,-0.3 0.324 81.0 97.4 -86.6 10.8 61.8 22.7 37.3 661 120 C S T << S- 0 0 105 -3,-1.8 2,-0.3 -4,-0.6 -1,-0.2 0.908 124.4 -2.1 -61.7 -52.7 58.6 20.4 36.5 662 121 C L T 3 S+ 0 0 154 -3,-0.5 -1,-0.4 -4,-0.4 -2,-0.0 -0.806 125.7 162.8-110.7 86.4 59.3 18.6 39.8 663 122 C G < - 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