==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-DEC-11 3UWL . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR C.POZZI,A.CATALANO,D.CORTESI,R.LUCIANI,S.FERRARI,T.FRITZ,M.P . 1206 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 845 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 13.8 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 98 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 360 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.4 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 2 2 9 5 3 0 5 4 0 4 0 0 0 0 4 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 6 6 0 0 0 4 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 . 8 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 1 A M >> 0 0 95 0, 0.0 3,-1.4 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 145.5 14.6 -10.6 18.3 2 2 A E H >> + 0 0 2 1,-0.2 4,-2.4 2,-0.2 3,-0.8 0.849 360.0 69.8 -56.1 -33.9 12.0 -12.9 17.0 3 3 A E H 3> S+ 0 0 99 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.803 92.4 58.2 -53.5 -31.1 13.6 -12.3 13.6 4 4 A A H <> S+ 0 0 28 -3,-1.4 4,-1.3 2,-0.2 -1,-0.3 0.854 106.5 45.9 -72.6 -35.9 16.6 -14.2 14.8 5 5 A Y H - 0 0 79 4,-2.7 3,-1.9 -2,-0.5 6,-0.0 -0.082 38.0 -82.2 -77.3-178.9 17.5 -41.9 11.2 22 22 A R T 3 S+ 0 0 221 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.667 127.3 44.0 -59.1 -17.8 17.4 -45.7 11.8 23 23 A T T 3 S- 0 0 108 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.296 124.0 -88.8-112.9 6.1 13.6 -45.7 11.9 24 24 A G S < S+ 0 0 41 -3,-1.9 2,-0.6 1,-0.3 -2,-0.1 0.398 76.2 142.8 101.6 -3.7 12.6 -43.5 8.9 25 25 A T - 0 0 55 -5,-0.0 -4,-2.7 216,-0.0 2,-0.3 -0.620 36.1-153.4 -74.6 116.8 12.6 -40.1 10.7 26 26 A G E +A 20 0A 3 -2,-0.6 215,-2.3 -6,-0.2 216,-0.3 -0.680 15.7 177.5 -90.6 143.5 13.9 -37.3 8.4 27 27 A T E -AB 19 240A 11 -8,-2.6 -8,-1.9 -2,-0.3 2,-0.5 -0.968 25.4-147.0-135.8 157.3 15.5 -34.1 9.6 28 28 A Y E +AB 18 239A 71 211,-2.1 211,-2.8 -2,-0.3 2,-0.3 -1.000 39.1 171.5-115.7 126.2 17.2 -31.0 8.0 29 29 A S E -AB 17 238A 1 -12,-1.6 -12,-2.7 -2,-0.5 2,-0.3 -0.870 28.0-166.5-135.2 161.0 19.9 -29.7 10.3 30 30 A L E - B 0 237A 16 207,-2.0 207,-2.4 -2,-0.3 2,-0.5 -0.937 22.3-128.7-136.5 169.9 22.9 -27.4 10.8 31 31 A F E S+ B 0 236A 7 -2,-0.3 205,-0.2 1,-0.2 204,-0.1 -0.957 71.4 15.1-128.4 120.9 25.5 -27.3 13.4 32 32 A G E + 0 0 3 203,-1.9 2,-0.3 -2,-0.5 -1,-0.2 0.672 65.8 159.1 87.7 108.1 26.6 -24.4 15.5 33 33 A Y E - B 0 234A 43 201,-1.5 201,-2.4 -3,-0.1 2,-0.3 -0.975 20.0-160.1-154.8 154.9 24.2 -21.4 15.7 34 34 A Q E - B 0 233A 38 -2,-0.3 2,-0.3 199,-0.2 199,-0.2 -0.987 5.7-175.7-146.9 130.7 23.7 -18.5 18.2 35 35 A M E - B 0 232A 4 197,-2.2 197,-3.1 -2,-0.3 2,-0.4 -0.955 12.2-150.4-123.3 148.1 20.7 -16.2 18.8 36 36 A R E - B 0 231A 83 -2,-0.3 2,-0.5 195,-0.2 195,-0.2 -0.960 6.2-167.4-121.1 135.8 20.6 -13.2 21.2 37 37 A F E - B 0 230A 3 193,-2.8 193,-2.8 -2,-0.4 2,-0.9 -0.983 13.2-150.0-123.1 112.6 17.5 -11.9 23.0 38 38 A D E > - B 0 229A 61 -2,-0.5 3,-1.9 191,-0.2 4,-0.3 -0.783 10.3-157.0 -77.6 106.1 17.8 -8.4 24.6 39 39 A L G > S+ 0 0 7 189,-2.1 3,-0.7 -2,-0.9 -1,-0.1 0.654 85.9 68.6 -67.1 -15.1 15.4 -8.9 27.5 40 40 A A G 3 S+ 0 0 78 188,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.678 92.7 60.6 -72.8 -18.0 14.8 -5.1 27.8 41 41 A K G < S- 0 0 139 -3,-1.9 217,-0.3 1,-0.3 -1,-0.2 0.561 125.9 -71.3 -86.5 -10.1 13.1 -5.2 24.4 42 42 A G < - 0 0 13 -3,-0.7 -1,-0.3 -4,-0.3 218,-0.2 -0.647 59.6 -59.1 137.6 169.2 10.5 -7.6 25.8 43 43 A F - 0 0 2 216,-3.2 2,-2.7 -2,-0.2 167,-0.1 -0.718 51.4-127.0 -88.3 121.3 9.9 -11.1 26.9 44 44 A P + 0 0 1 0, 0.0 2,-0.7 0, 0.0 169,-0.1 -0.244 56.1 140.8 -73.2 58.5 10.7 -13.5 24.0 45 45 A L - 0 0 1 -2,-2.7 -43,-0.1 214,-0.1 162,-0.1 -0.913 64.7-104.8 -94.7 119.3 7.5 -15.5 23.9 46 46 A L - 0 0 2 -2,-0.7 5,-0.3 160,-0.2 3,-0.1 -0.067 31.2-167.6 -59.1 139.1 7.0 -15.9 20.1 47 47 A T S S+ 0 0 0 209,-0.2 239,-2.6 1,-0.1 -1,-0.1 0.633 79.1 72.4 -97.9 -17.1 4.4 -13.8 18.4 48 48 A T S S+ 0 0 0 1,-0.2 2,-0.3 237,-0.2 -1,-0.1 0.597 116.6 11.3 -80.1 -8.1 4.4 -15.6 15.0 49 49 A K S S- 0 0 8 -3,-0.1 2,-0.3 239,-0.0 239,-0.2 -0.947 91.9 -95.2-156.9 153.7 2.6 -18.5 16.7 50 50 A R - 0 0 120 236,-0.5 239,-0.4 -2,-0.3 -3,-0.1 -0.553 36.0-169.9 -70.8 126.0 0.9 -19.0 20.1 51 51 A V - 0 0 3 -5,-0.3 2,-0.6 -2,-0.3 -2,-0.0 -0.994 25.4-124.5-113.5 123.2 3.3 -20.6 22.6 52 52 A P > - 0 0 64 0, 0.0 4,-0.7 0, 0.0 3,-0.2 -0.621 24.4-172.5 -79.8 116.7 1.6 -21.7 25.8 53 53 A F H > S+ 0 0 21 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.735 71.3 73.5 -82.9 -27.3 3.3 -20.1 28.8 54 54 A G H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.920 100.7 44.4 -49.3 -51.9 1.5 -21.9 31.6 55 55 A L H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.826 110.7 55.1 -67.5 -35.8 3.4 -25.2 31.0 56 56 A I H X S+ 0 0 2 -4,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.929 111.0 44.3 -61.0 -46.8 6.7 -23.4 30.6 57 57 A K H X S+ 0 0 17 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.878 112.6 48.0 -75.3 -34.0 6.4 -21.7 34.0 58 58 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.919 114.8 48.6 -72.0 -40.2 5.2 -24.7 36.0 59 59 A E H X S+ 0 0 36 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.950 113.4 45.5 -54.7 -55.5 8.0 -26.8 34.5 60 60 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.899 112.6 50.8 -59.4 -40.7 10.7 -24.1 35.2 61 61 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.896 108.7 53.3 -62.6 -40.2 9.4 -23.7 38.8 62 62 A W H <>S+ 0 0 0 -4,-2.0 5,-1.6 1,-0.2 -2,-0.2 0.916 111.3 44.9 -61.1 -47.0 9.6 -27.5 39.2 63 63 A F H ><5S+ 0 0 5 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.930 109.0 58.0 -59.6 -46.6 13.2 -27.5 38.1 64 64 A L H 3<5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.844 106.7 45.6 -60.0 -40.9 14.1 -24.5 40.3 65 65 A K T 3<5S- 0 0 63 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.352 113.2-119.0 -81.7 3.1 13.0 -26.1 43.5 66 66 A G T < 5 + 0 0 23 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.700 56.8 159.1 72.0 19.0 14.8 -29.3 42.6 67 67 A D < + 0 0 51 -5,-1.6 59,-0.3 -6,-0.2 -1,-0.2 -0.603 21.5 175.1 -78.4 133.3 11.7 -31.4 42.6 68 68 A T + 0 0 22 -2,-0.3 53,-3.1 58,-0.1 2,-0.4 0.278 52.9 96.8-116.8 6.2 11.8 -34.6 40.6 69 69 A N B > -F 120 0B 13 51,-0.2 3,-0.9 -7,-0.1 4,-0.4 -0.830 69.8-140.6 -99.7 131.5 8.3 -35.9 41.6 70 70 A I T >> S+ 0 0 0 49,-2.6 4,-2.2 -2,-0.4 3,-0.7 0.614 83.4 90.6 -74.1 -10.0 5.5 -35.2 39.1 71 71 A R H 3> S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 84.2 55.5 -48.6 -43.0 2.9 -34.4 41.8 72 72 A Y H <> S+ 0 0 19 -3,-0.9 4,-0.5 1,-0.2 -1,-0.2 0.879 109.8 46.7 -58.5 -38.0 3.9 -30.7 41.7 73 73 A L H X4>S+ 0 0 1 -3,-0.7 5,-2.8 -4,-0.4 3,-0.9 0.904 109.6 51.7 -73.2 -44.3 3.2 -30.7 37.9 74 74 A L H ><5S+ 0 0 13 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.887 102.7 59.0 -60.6 -42.3 -0.2 -32.5 38.0 75 75 A E H 3<5S+ 0 0 108 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.786 112.5 42.5 -53.5 -28.1 -1.5 -30.1 40.7 76 76 A R T <<5S- 0 0 57 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.145 119.5-109.6-109.6 15.3 -0.8 -27.4 38.0 77 77 A N T < 5 + 0 0 115 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.822 68.9 144.7 60.2 33.2 -2.2 -29.4 35.1 78 78 A N < + 0 0 1 -5,-2.8 -1,-0.2 -8,-0.1 3,-0.2 -0.926 15.0 166.5-100.5 116.9 1.2 -29.9 33.5 79 79 A H > + 0 0 80 -2,-0.6 3,-1.4 1,-0.1 4,-0.2 0.253 42.1 104.8-115.1 11.3 1.2 -33.4 31.9 80 80 A I T 3 S+ 0 0 76 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.718 83.5 47.1 -76.9 -20.1 4.3 -33.3 29.8 81 81 A W T 3 S+ 0 0 21 -3,-0.2 -1,-0.3 1,-0.2 -11,-0.1 0.139 84.9 101.7-103.1 18.2 6.3 -35.6 32.1 82 82 A D X> + 0 0 9 -3,-1.4 4,-2.5 1,-0.2 3,-0.8 0.644 65.3 64.4 -75.9 -26.2 3.5 -38.2 32.5 83 83 A E H 3> S+ 0 0 131 -3,-0.3 4,-3.0 1,-0.2 5,-0.4 0.943 96.6 52.6 -72.2 -48.1 4.7 -41.1 30.2 84 84 A W H 34 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.224 118.0 42.7 -75.8 16.8 7.9 -42.1 31.9 85 85 A A H <> S+ 0 0 2 -3,-0.8 4,-1.9 3,-0.1 -2,-0.2 0.591 115.8 42.2-122.1 -48.2 5.8 -42.5 35.1 86 86 A F H X S+ 0 0 49 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.839 114.4 54.4 -68.3 -36.0 2.6 -44.1 33.9 87 87 A E H X S+ 0 0 97 -4,-3.0 4,-0.7 -5,-0.2 -1,-0.2 0.918 108.8 49.1 -61.1 -46.5 4.8 -46.5 31.7 88 88 A R H >> S+ 0 0 141 -5,-0.4 3,-0.7 1,-0.2 4,-0.6 0.922 110.7 50.8 -55.3 -48.0 6.7 -47.4 34.8 89 89 A Y H >< S+ 0 0 38 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.853 104.3 53.6 -66.8 -38.8 3.6 -48.1 36.8 90 90 A V H 3< S+ 0 0 45 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.666 111.1 48.2 -75.4 -13.7 1.8 -50.4 34.4 91 91 A K H << S+ 0 0 146 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.507 96.8 94.5 -97.3 -10.2 4.9 -52.7 34.3 92 92 A S S << S- 0 0 36 -3,-0.8 3,-0.2 -4,-0.6 -3,-0.1 0.092 90.5-101.5 -67.3-172.5 5.2 -52.8 38.1 93 93 A A S S+ 0 0 93 1,-0.2 2,-1.8 3,-0.0 -1,-0.1 0.940 108.3 61.0 -78.1 -51.9 3.7 -55.5 40.3 94 94 A D S S+ 0 0 89 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.484 81.0 99.8 -87.5 74.1 0.6 -53.7 41.6 95 95 A Y - 0 0 61 -2,-1.8 2,-0.4 -3,-0.2 -5,-0.0 -0.982 50.1-157.3-148.0 146.6 -1.4 -53.0 38.4 96 96 A Q 0 0 137 -2,-0.3 -2,-0.0 0, 0.0 -3,-0.0 -0.938 360.0 360.0-133.6 116.1 -4.4 -54.7 36.7 97 97 A G 0 0 104 -2,-0.4 -2,-0.0 -7,-0.1 -7,-0.0 0.146 360.0 360.0 -53.4 360.0 -5.2 -54.4 33.0 98 ! 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 99 119 A E >> 0 0 166 0, 0.0 3,-1.4 0, 0.0 4,-1.1 0.000 360.0 360.0 360.0 -42.9 -8.9 -43.9 31.4 100 120 A E H 3> + 0 0 53 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.772 360.0 68.1 -57.5 -26.7 -6.7 -46.0 33.7 101 121 A H H 3> S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.881 96.1 52.8 -57.2 -40.4 -4.3 -43.1 33.3 102 122 A Q H <> S+ 0 0 111 -3,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.882 104.6 53.6 -66.2 -40.5 -6.7 -41.0 35.3 103 123 A K H X S+ 0 0 120 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.849 112.3 46.4 -60.7 -36.4 -6.8 -43.5 38.2 104 124 A F H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.908 111.8 50.5 -69.7 -44.8 -3.0 -43.3 38.2 105 125 A C H X S+ 0 0 18 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.854 110.5 49.9 -64.0 -35.3 -3.2 -39.5 38.1 106 126 A D H X S+ 0 0 79 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.904 109.5 49.7 -70.6 -41.9 -5.7 -39.3 41.0 107 127 A A H X S+ 0 0 25 -4,-1.6 4,-1.0 2,-0.2 8,-0.3 0.896 107.2 54.7 -65.1 -42.2 -3.6 -41.6 43.2 108 128 A I H < S+ 0 0 0 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.905 117.7 38.7 -53.3 -39.3 -0.4 -39.5 42.6 109 129 A L H < S+ 0 0 54 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.896 124.8 33.9 -81.9 -40.3 -2.5 -36.5 43.8 110 130 A N H < S+ 0 0 127 -4,-3.1 2,-0.3 1,-0.2 -1,-0.2 0.098 112.7 57.7-108.3 18.7 -4.6 -38.0 46.6 111 131 A D X - 0 0 66 -4,-1.0 4,-1.5 -3,-0.3 -1,-0.2 -0.780 60.1-161.2-154.6 106.0 -2.2 -40.6 48.1 112 132 A A H > S+ 0 0 45 -2,-0.3 4,-1.7 1,-0.2 3,-0.3 0.877 89.2 48.1 -56.3 -50.9 1.3 -39.6 49.5 113 133 A E H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 109.7 53.0 -63.4 -40.5 3.0 -43.1 49.5 114 134 A F H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.860 106.6 55.7 -59.2 -36.5 1.9 -43.9 46.0 115 135 A A H X S+ 0 0 4 -4,-1.5 4,-2.6 -8,-0.3 5,-0.4 0.920 108.8 44.9 -62.8 -47.1 3.4 -40.5 44.9 116 136 A E H < S+ 0 0 116 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.886 118.2 45.3 -63.2 -40.1 6.9 -41.4 46.3 117 137 A K H < S+ 0 0 147 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.837 133.8 12.1 -75.1 -35.8 6.7 -44.9 44.8 118 138 A Y H < S+ 0 0 41 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.578 118.4 61.5-123.0 -14.1 5.4 -43.9 41.3 119 139 A G S < S+ 0 0 0 -4,-2.6 -49,-2.6 -5,-0.4 2,-0.5 0.542 76.9 108.0 -89.2 -7.7 5.7 -40.1 40.9 120 140 A E B -F 69 0B 82 -5,-0.4 -51,-0.2 -4,-0.4 2,-0.2 -0.570 49.4-167.2 -79.0 118.0 9.5 -40.0 41.3 121 141 A L - 0 0 10 -53,-3.1 3,-0.1 -2,-0.5 -53,-0.1 -0.550 18.4-132.9 -88.3 169.0 11.4 -39.3 38.1 122 142 A G - 0 0 49 -2,-0.2 2,-1.5 1,-0.2 5,-0.3 0.587 64.5 -3.8 -91.5-116.1 15.2 -39.9 38.3 123 143 A N S S+ 0 0 51 4,-0.1 2,-0.2 45,-0.1 -1,-0.2 -0.629 85.8 132.9 -86.9 79.3 18.1 -37.9 37.2 124 144 A I S >> S- 0 0 20 -2,-1.5 4,-1.9 -3,-0.1 3,-1.2 -0.689 71.5 -68.2-124.2-175.7 16.5 -34.9 35.5 125 145 A Y H 3> S+ 0 0 22 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.760 125.9 55.3 -46.3 -52.1 17.0 -31.0 35.6 126 146 A G H 3> S+ 0 0 0 -59,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.914 115.6 40.6 -42.8 -51.7 15.7 -30.5 39.2 127 147 A A H <> S+ 0 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35.5-103.9-115.6 143.9 47.4 36.5 40.5 1178 284 D N > - 0 0 44 13,-2.2 3,-1.2 -2,-0.3 13,-0.1 -0.527 28.7-154.4 -61.7 114.3 49.3 39.9 40.8 1179 285 D P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 12,-0.0 0.673 87.5 64.7 -68.9 -17.1 46.6 42.1 42.6 1180 286 D D T 3 S+ 0 0 141 2,-0.0 2,-0.4 -3,-0.0 -2,-0.1 0.571 78.1 94.8 -82.1 -13.5 48.2 45.3 41.1 1181 287 D K < - 0 0 65 -3,-1.2 3,-0.1 1,-0.2 6,-0.1 -0.693 51.0-175.9 -77.5 131.2 47.4 44.4 37.5 1182 288 D A + 0 0 71 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.900 60.7 52.8 -92.9 -51.5 44.1 46.0 36.4 1183 289 D S S >> S- 0 0 27 1,-0.1 3,-2.2 -46,-0.0 4,-0.6 -0.673 74.0-131.5 -93.2 140.4 43.6 44.7 32.8 1184 290 D V G >4 S+ 0 0 1 -2,-0.3 3,-0.8 1,-0.3 -1,-0.1 0.847 113.4 56.3 -45.7 -37.1 43.5 41.1 31.6 1185 291 D F G 34 S+ 0 0 62 1,-0.2 -1,-0.3 -227,-0.0 -127,-0.0 0.514 95.7 64.4 -80.9 -6.3 45.9 42.4 28.9 1186 292 D D G <4 S+ 0 0 91 -3,-2.2 -1,-0.2 2,-0.0 -2,-0.2 0.572 76.7 110.3 -85.7 -15.3 48.4 43.8 31.4 1187 293 D F << - 0 0 12 -3,-0.8 2,-0.2 -4,-0.6 -10,-0.0 -0.427 46.3-173.1 -70.6 135.1 49.3 40.4 32.9 1188 294 D D > - 0 0 50 -2,-0.1 3,-1.6 1,-0.0 4,-0.2 -0.657 43.2 -87.8-116.4 174.1 52.8 39.0 32.1 1189 295 D M G > S+ 0 0 42 1,-0.3 3,-1.4 -2,-0.2 -2,-0.0 0.898 126.2 51.4 -53.8 -48.2 54.4 35.5 32.9 1190 296 D E G 3 S+ 0 0 145 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.601 98.5 69.0 -67.7 -11.4 55.6 36.5 36.4 1191 297 D D G < S+ 0 0 21 -3,-1.6 -13,-2.2 1,-0.1 2,-0.4 0.482 96.0 57.9 -83.0 -4.1 52.1 37.9 37.3 1192 298 D I E < +F 1177 0P 0 -3,-1.4 2,-0.3 -4,-0.2 -15,-0.2 -0.991 61.4 154.4-137.1 124.4 50.5 34.4 37.3 1193 299 D K E -F 1176 0P 59 -17,-2.5 -17,-3.4 -2,-0.4 2,-0.4 -0.961 32.0-137.9-143.2 157.1 51.3 31.3 39.4 1194 300 D V E -F 1175 0P 20 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.959 23.7-165.3-110.1 142.7 49.9 28.1 40.9 1195 301 D E E +F 1174 0P 106 -21,-2.9 -21,-2.5 -2,-0.4 3,-0.1 -0.918 63.9 29.0-126.8 151.7 50.9 27.2 44.4 1196 302 D G S S+ 0 0 65 -2,-0.3 2,-0.7 1,-0.2 -1,-0.2 0.826 73.4 159.3 71.7 31.6 50.5 23.9 46.3 1197 303 D Y + 0 0 40 -3,-0.2 -1,-0.2 -24,-0.1 -25,-0.1 -0.819 6.2 161.3 -90.6 114.5 50.8 21.8 43.1 1198 304 D D + 0 0 109 -2,-0.7 -27,-0.1 -27,-0.4 -257,-0.1 -0.574 15.0 169.5-134.5 66.6 51.8 18.2 44.0 1199 305 D P - 0 0 9 0, 0.0 -257,-0.2 0, 0.0 -255,-0.1 -0.316 39.9-100.2 -81.5 163.5 50.9 15.9 41.0 1200 306 D H - 0 0 29 -259,-3.4 -256,-0.2 1,-0.2 -257,-0.1 -0.212 66.9 -65.4 -61.8 169.9 51.7 12.3 40.3 1201 307 D P - 0 0 85 0, 0.0 -257,-0.2 0, 0.0 -1,-0.2 -0.116 61.4 -81.6 -62.7 158.5 54.6 12.0 37.8 1202 308 D T - 0 0 74 -259,-0.2 2,-0.5 -3,-0.1 -257,-0.1 -0.205 35.5-155.6 -49.6 136.5 54.7 13.0 34.1 1203 309 D I - 0 0 15 -259,-0.3 2,-0.1 -3,-0.1 -1,-0.1 -0.926 17.5-145.6-121.4 107.2 53.1 10.5 31.7 1204 310 D K + 0 0 170 -2,-0.5 -44,-0.0 -44,-0.0 -87,-0.0 -0.408 24.1 167.4 -80.8 148.3 54.5 11.0 28.2 1205 311 D A - 0 0 21 -2,-0.1 2,-0.2 8,-0.1 -48,-0.1 -0.976 35.8-102.6-156.3 149.2 52.6 10.6 25.0 1206 312 D P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 -89,-0.1 -0.511 32.6-126.1 -73.6 131.9 53.1 11.4 21.2 1207 313 D I - 0 0 30 -2,-0.2 2,-0.6 6,-0.1 0, 0.0 -0.578 19.4-128.1 -76.1 139.8 51.3 14.4 19.7 1208 314 D A 0 0 4 -2,-0.2 -290,-0.1 1,-0.2 -291,-0.1 -0.841 360.0 360.0 -89.0 117.4 49.2 13.7 16.6 1209 315 D V 0 0 27 -2,-0.6 -1,-0.2 -292,-0.2 -291,-0.1 0.915 360.0 360.0 -91.6 360.0 50.1 16.1 13.8 1210 !* 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 1211 316 B X 0 0 93 0, 0.0 -604,-0.1 0, 0.0 -693,-0.1 0.000 360.0 360.0 360.0 360.0 52.6 -16.4 24.8 1212 !* 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 1213 316 D X 0 0 95 0, 0.0 -95,-0.1 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 360.0 52.6 17.2 26.4