==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-MAY-12 4F4I . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR E.V.FILIPPOVA,G.MINASOV,L.SHUVALOVA,O.KIRYUKHINA,R.JEDRZEJCZ . 390 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 81.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 11.0 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 . 25 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 48.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.8 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 0 1 2 2 0 1 2 3 1 0 0 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 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 . 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 1 A M 0 0 227 0, 0.0 2,-0.4 0, 0.0 192,-0.0 0.000 360.0 360.0 360.0 19.9 6.3 -16.5 26.1 2 2 A S - 0 0 42 85,-0.0 2,-0.5 2,-0.0 85,-0.2 -0.970 360.0-148.2-128.6 139.0 5.2 -13.0 25.0 3 3 A A E -a 87 0A 4 83,-0.9 85,-2.8 -2,-0.4 2,-0.9 -0.918 13.0-163.0-124.9 122.6 7.4 -10.0 24.4 4 4 A F E -a 88 0A 1 -2,-0.5 122,-2.6 83,-0.2 123,-1.4 -0.871 26.6-177.4 -96.7 101.8 6.8 -6.3 24.8 5 5 A I E -ab 89 127A 0 83,-2.5 85,-3.1 -2,-0.9 2,-0.3 -0.913 6.6-166.1-111.4 121.9 9.6 -4.8 22.9 6 6 A T E -ab 90 128A 0 121,-2.8 123,-3.9 -2,-0.5 2,-0.5 -0.819 9.4-153.3-109.8 154.8 10.2 -1.0 22.6 7 7 A F E -ab 91 129A 0 83,-2.0 85,-1.5 -2,-0.3 2,-0.3 -0.987 18.0-179.4-124.1 113.9 12.3 1.0 20.3 8 8 A E E + b 0 130A 0 121,-3.9 123,-2.4 -2,-0.5 83,-0.0 -0.866 19.1 114.2-113.4 155.2 13.6 4.4 21.5 9 9 A G - 0 0 0 -2,-0.3 123,-0.1 121,-0.2 3,-0.1 -0.768 56.9 -85.7 166.0 164.5 15.7 7.0 19.8 10 10 A P > - 0 0 1 0, 0.0 3,-1.4 0, 0.0 5,-0.4 -0.274 58.8 -84.0 -72.1 166.9 15.8 10.5 18.4 11 11 A E T 3 S+ 0 0 76 1,-0.2 131,-0.1 2,-0.1 130,-0.1 -0.587 121.4 42.7 -68.7 136.3 14.7 11.3 14.8 12 12 A G T 3 S+ 0 0 12 -2,-0.2 -1,-0.2 129,-0.2 129,-0.2 0.307 84.3 101.4 105.0 -6.6 17.8 10.6 12.7 13 13 A S S < S- 0 0 0 -3,-1.4 -2,-0.1 120,-0.1 125,-0.1 0.312 96.7-110.3 -91.0 1.9 18.6 7.3 14.5 14 14 A G S >> S+ 0 0 11 124,-0.1 4,-2.3 -4,-0.1 3,-0.6 0.300 72.2 140.6 86.4 -7.4 17.1 5.0 11.8 15 15 A K H 3> + 0 0 15 -5,-0.4 4,-2.8 1,-0.3 5,-0.3 0.815 67.4 51.3 -37.3 -60.6 14.2 3.9 14.0 16 16 A T H 3> S+ 0 0 92 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.925 116.0 40.9 -44.0 -57.2 11.6 4.0 11.3 17 17 A T H <> S+ 0 0 57 -3,-0.6 4,-2.6 2,-0.2 3,-0.3 0.955 115.3 51.2 -57.4 -51.1 13.7 1.8 9.0 18 18 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.3 5,-0.3 0.886 107.2 51.5 -61.7 -46.6 14.9 -0.5 11.7 19 19 A I H X S+ 0 0 4 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.3 0.900 114.7 43.6 -58.4 -41.6 11.5 -1.3 13.2 20 20 A N H X S+ 0 0 60 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.878 112.3 49.8 -71.9 -42.6 10.1 -2.3 9.7 21 21 A E H X S+ 0 0 93 -4,-2.6 4,-1.1 1,-0.2 3,-0.4 0.994 115.8 45.1 -55.8 -53.0 13.1 -4.3 8.5 22 22 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.774 107.2 57.2 -64.2 -41.3 13.0 -6.2 11.8 23 23 A Y H X S+ 0 0 64 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.3 0.970 108.8 48.9 -44.8 -54.0 9.2 -6.7 11.7 24 24 A H H < S+ 0 0 112 -4,-2.0 4,-0.3 -3,-0.4 -2,-0.2 0.691 111.0 47.8 -69.4 -26.0 9.7 -8.4 8.3 25 25 A R H < S+ 0 0 63 -4,-1.1 4,-0.4 -3,-0.2 3,-0.3 0.846 115.8 45.3 -80.3 -35.9 12.4 -10.7 9.5 26 26 A L H >X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 3,-0.6 0.707 95.1 72.5 -82.5 -28.0 10.5 -11.7 12.6 27 27 A V T 3< S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.1 0.796 87.9 68.2 -52.0 -34.1 7.0 -12.3 10.9 28 28 A K T 34 S+ 0 0 141 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.955 121.1 10.2 -50.4 -49.0 8.4 -15.5 9.4 29 29 A D T <4 S+ 0 0 134 -3,-0.6 2,-0.3 -4,-0.4 -2,-0.2 0.543 119.1 57.9-117.9 -7.4 8.7 -17.2 12.8 30 30 A Y S < S- 0 0 66 -4,-2.1 2,-2.2 57,-0.0 56,-0.1 -0.906 77.5-115.3-130.8 151.0 6.9 -15.2 15.5 31 31 A D + 0 0 96 -2,-0.3 56,-1.9 54,-0.2 2,-0.2 -0.501 61.7 164.5 -82.6 72.3 3.4 -14.0 16.1 32 32 A V E -c 87 0A 6 -2,-2.2 2,-0.3 54,-0.2 56,-0.2 -0.593 24.8-167.9 -94.0 146.2 4.7 -10.4 15.9 33 33 A I E -c 88 0A 44 54,-2.9 56,-3.2 -2,-0.2 2,-0.5 -0.970 14.3-137.6-124.9 161.3 2.8 -7.1 15.5 34 34 A M E +c 89 0A 72 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.937 29.9 168.2-116.7 121.7 4.0 -3.6 14.7 35 35 A T E -c 90 0A 5 54,-3.1 56,-2.7 -2,-0.5 2,-0.4 -0.971 23.9-173.8-140.3 150.8 2.6 -0.6 16.5 36 36 A R > - 0 0 70 -2,-0.3 3,-2.9 54,-0.2 4,-0.2 -0.965 52.0 -68.9-135.7 121.8 3.1 3.2 17.1 37 37 A E T 3 S+ 0 0 13 54,-0.4 33,-0.1 1,-0.4 32,-0.0 -0.193 124.7 19.3 -42.3 131.7 1.0 5.2 19.7 38 38 A P T > S- 0 0 21 0, 0.0 3,-2.0 0, 0.0 -1,-0.4 -0.967 86.8-172.5 -86.1 7.4 -2.0 5.7 19.2 39 39 A G T < - 0 0 17 -3,-2.9 -2,-0.1 1,-0.3 5,-0.0 0.752 69.9 -53.4 49.0 40.6 -1.8 2.8 16.7 40 40 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 -4,-0.2 -3,-0.1 0.371 93.5 142.6 81.6 -5.6 -5.3 3.1 15.2 41 41 A V <> - 0 0 16 -3,-2.0 4,-3.1 1,-0.1 -1,-0.2 -0.621 47.2-141.6 -74.6 120.9 -7.2 3.0 18.6 42 42 A P H > S+ 0 0 83 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.836 99.0 42.6 -48.5 -54.3 -10.2 5.5 18.4 43 43 A T H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.964 116.9 50.7 -60.9 -49.5 -10.1 6.9 21.9 44 44 A G H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.878 111.1 48.5 -47.5 -49.0 -6.4 7.1 21.5 45 45 A E H X S+ 0 0 88 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.957 109.0 53.1 -52.7 -57.1 -6.9 8.9 18.2 46 46 A E H X S+ 0 0 123 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.793 108.8 48.4 -53.7 -42.7 -9.4 11.4 19.6 47 47 A I H >X S+ 0 0 35 -4,-2.1 4,-0.8 1,-0.2 3,-0.6 0.925 112.9 46.4 -66.3 -53.2 -7.1 12.5 22.5 48 48 A R H >X S+ 0 0 56 -4,-1.7 4,-1.9 1,-0.2 3,-0.9 0.870 104.4 64.2 -50.9 -44.0 -4.1 13.0 20.2 49 49 A K H 3X S+ 0 0 29 -4,-2.6 4,-1.9 1,-0.3 -1,-0.2 0.827 97.9 55.2 -58.9 -33.9 -6.3 14.9 17.8 50 50 A I H << S+ 0 0 95 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.830 105.5 51.2 -66.3 -34.7 -6.9 17.6 20.4 51 51 A V H X< S+ 0 0 14 -3,-0.9 3,-1.8 -4,-0.8 -2,-0.2 0.947 107.4 54.0 -70.8 -46.4 -3.2 18.3 20.9 52 52 A L H 3< S+ 0 0 65 -4,-1.9 318,-0.4 1,-0.3 -2,-0.2 0.946 108.3 47.5 -43.6 -63.0 -2.7 18.7 17.2 53 53 A E T 3< S+ 0 0 49 -4,-1.9 -1,-0.3 316,-0.1 2,-0.2 0.290 89.6 128.3 -70.3 12.4 -5.4 21.4 16.9 54 54 A G < - 0 0 21 -3,-1.8 2,-0.6 -5,-0.1 316,-0.1 -0.489 49.8-154.8 -67.4 136.8 -3.8 23.0 19.9 55 55 A N S S- 0 0 97 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.1 -0.885 79.9 -33.0-112.2 96.3 -3.0 26.7 19.6 56 56 A D S S- 0 0 160 -2,-0.6 2,-0.2 1,-0.2 -1,-0.1 0.963 90.5-173.3 57.3 50.4 -0.1 27.4 22.0 57 57 A M - 0 0 51 -6,-0.2 -1,-0.2 1,-0.1 -3,-0.1 -0.580 32.8 -91.6 -76.3 140.7 -1.5 24.8 24.4 58 58 A D > - 0 0 96 -2,-0.2 4,-1.9 1,-0.1 -1,-0.1 -0.183 32.5-131.5 -48.4 141.9 0.1 24.4 27.8 59 59 A I H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.735 102.1 50.8 -76.1 -25.3 2.8 21.8 27.8 60 60 A R H > S+ 0 0 121 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 110.1 49.3 -80.2 -45.8 1.7 19.8 30.9 61 61 A T H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.935 111.6 52.0 -48.6 -51.1 -1.9 19.4 29.6 62 62 A E H X S+ 0 0 27 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.920 110.3 47.3 -54.9 -49.7 -0.2 18.3 26.4 63 63 A A H X S+ 0 0 4 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.819 110.1 51.9 -60.9 -36.7 1.8 15.7 28.3 64 64 A M H >X S+ 0 0 99 -4,-2.5 4,-2.3 2,-0.2 3,-1.3 0.967 110.0 48.9 -66.3 -48.6 -1.2 14.5 30.3 65 65 A L H 3X S+ 0 0 45 -4,-2.8 4,-2.4 1,-0.3 5,-0.3 0.902 107.4 57.4 -57.1 -38.4 -3.1 14.0 27.0 66 66 A F H 3X S+ 0 0 38 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.3 0.835 108.3 45.9 -61.8 -26.6 -0.1 12.2 25.8 67 67 A A H S+ 0 0 2 -4,-2.2 5,-2.0 1,-0.2 4,-1.6 0.916 116.8 44.7 -58.5 -43.4 -3.1 2.3 23.3 74 74 A L H <>S+ 0 0 2 -4,-3.1 5,-3.6 3,-0.2 -1,-0.2 0.916 120.0 38.0 -68.7 -47.4 -1.6 0.1 25.9 75 75 A V H <5S+ 0 0 52 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.792 123.5 40.0 -78.4 -28.5 -4.8 -1.3 27.4 76 76 A L H <5S+ 0 0 96 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.642 136.5 6.7-100.9 -10.6 -6.8 -1.6 24.2 77 77 A K T X5S+ 0 0 61 -4,-1.6 4,-1.4 -5,-0.3 -3,-0.2 0.581 128.2 45.5-133.0 -53.9 -4.1 -2.9 21.8 78 78 A V H > S+ 0 0 48 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.856 113.1 48.1 -55.1 -31.8 -4.7 -7.8 24.6 81 81 A A H X>S+ 0 0 5 -4,-1.4 5,-2.7 2,-0.2 4,-0.6 0.902 107.5 53.1 -76.8 -38.4 -1.9 -8.8 22.3 82 82 A L H <5S+ 0 0 27 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.860 108.9 52.8 -59.0 -36.1 0.5 -9.6 25.1 83 83 A K H <5S+ 0 0 170 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.808 103.4 53.5 -71.9 -36.7 -2.2 -11.9 26.5 84 84 A E H <5S- 0 0 139 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.544 126.4-106.7 -71.3 -9.7 -2.7 -13.8 23.2 85 85 A G T <5 + 0 0 35 -4,-0.6 -54,-0.2 -3,-0.3 -3,-0.2 0.758 65.8 157.7 95.8 28.2 1.0 -14.3 23.5 86 86 A K < - 0 0 37 -5,-2.7 -83,-0.9 -84,-0.1 2,-0.6 -0.236 47.5-121.8 -78.6 158.7 2.3 -11.9 20.8 87 87 A V E -ac 3 32A 9 -56,-1.9 -54,-2.9 -85,-0.2 2,-0.7 -0.965 32.8-160.4 -92.4 114.8 5.6 -10.1 20.2 88 88 A V E -ac 4 33A 0 -85,-2.8 -83,-2.5 -2,-0.6 2,-0.7 -0.894 7.1-158.9-102.9 112.0 4.6 -6.5 20.1 89 89 A L E -ac 5 34A 0 -56,-3.2 -54,-3.1 -2,-0.7 2,-0.5 -0.818 17.7-163.8 -82.1 114.9 7.1 -4.2 18.5 90 90 A C E -ac 6 35A 1 -85,-3.1 -83,-2.0 -2,-0.7 2,-0.9 -0.930 15.4-147.9-114.7 122.2 6.4 -0.7 19.9 91 91 A D E S-a 7 0A 13 -56,-2.7 -54,-0.4 -2,-0.5 -83,-0.1 -0.781 74.6 -9.1 -89.5 98.2 7.6 2.6 18.3 92 92 A R S S+ 0 0 28 -85,-1.5 -55,-0.3 -2,-0.9 2,-0.2 0.303 72.2 160.6 84.6 146.6 8.1 5.0 21.2 93 93 A Y >> - 0 0 4 -87,-0.1 4,-1.4 -57,-0.1 3,-0.6 -0.727 58.2 -27.3-160.2-147.8 7.1 4.5 24.8 94 94 A I H 3> S+ 0 0 4 1,-0.2 4,-1.3 -2,-0.2 22,-0.1 0.822 129.8 53.1 -48.2 -40.8 7.7 5.8 28.3 95 95 A D H 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.816 101.9 60.0 -75.6 -30.9 11.4 6.8 27.6 96 96 A S H <> S+ 0 0 9 -3,-0.6 4,-2.5 2,-0.2 5,-0.4 0.922 104.5 48.6 -53.4 -53.9 10.3 8.9 24.6 97 97 A S H X>S+ 0 0 7 -4,-1.4 4,-2.4 1,-0.2 5,-1.4 0.875 110.5 54.3 -58.3 -37.0 8.1 11.2 26.8 98 98 A L H X>S+ 0 0 0 -4,-1.3 5,-2.3 3,-0.2 4,-0.6 0.967 113.2 38.3 -63.9 -52.9 11.0 11.6 29.2 99 99 A A H <>S+ 0 0 0 -4,-2.2 5,-3.0 3,-0.2 -2,-0.2 0.942 126.2 36.4 -67.3 -45.8 13.5 12.8 26.7 100 100 A Y H <>S+ 0 0 41 -4,-2.5 5,-0.6 -5,-0.2 -2,-0.2 0.954 135.7 18.7 -71.0 -48.0 11.1 15.0 24.7 101 101 A Q H <5S+ 0 0 17 -4,-2.4 6,-1.6 -5,-0.4 7,-0.4 0.868 127.3 44.6 -98.7 -42.7 9.0 16.2 27.5 102 102 A G T < - 0 0 26 -6,-2.6 4,-1.9 -7,-0.4 5,-0.2 0.084 16.2-119.0 120.2 127.8 11.4 17.9 34.5 109 109 A V H > S+ 0 0 16 1,-0.2 4,-2.6 -7,-0.2 3,-0.2 0.942 112.1 49.3 -62.3 -49.3 12.3 14.3 34.1 110 110 A E H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.813 110.5 51.4 -58.5 -35.6 10.9 13.1 37.5 111 111 A E H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.875 113.9 43.0 -72.1 -36.8 7.6 14.9 36.9 112 112 A V H X S+ 0 0 3 -4,-1.9 4,-2.5 -3,-0.2 -2,-0.2 0.836 113.8 53.0 -73.6 -33.5 7.1 13.2 33.5 113 113 A R H X S+ 0 0 79 -4,-2.6 4,-3.1 -5,-0.2 5,-0.2 0.973 108.5 48.6 -64.5 -53.6 8.3 9.9 35.0 114 114 A A H X S+ 0 0 55 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.871 113.8 46.9 -54.4 -43.5 5.8 10.1 37.8 115 115 A L H X S+ 0 0 49 -4,-1.6 4,-1.5 2,-0.2 3,-0.3 0.890 113.5 48.0 -66.4 -41.2 3.0 10.9 35.3 116 116 A N H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 5,-0.3 0.856 104.7 59.9 -70.7 -30.5 4.1 8.1 32.9 117 117 A E H X S+ 0 0 95 -4,-3.1 4,-0.7 1,-0.2 5,-0.5 0.779 106.4 49.7 -60.3 -29.9 4.3 5.7 35.9 118 118 A F H < S+ 0 0 175 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.885 109.7 49.3 -72.8 -42.5 0.5 6.5 36.3 119 119 A A H < S+ 0 0 4 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.831 118.2 36.7 -69.8 -35.6 -0.4 5.8 32.7 120 120 A I H >< S- 0 0 2 -4,-2.0 3,-0.9 -46,-0.0 -1,-0.2 0.613 91.1-147.7 -96.1 -15.0 1.4 2.5 32.3 121 121 A N T 3< S- 0 0 116 -4,-0.7 -3,-0.1 -5,-0.3 -4,-0.1 0.874 73.5 -41.7 52.6 48.4 0.6 1.2 35.8 122 122 A G T 3 S+ 0 0 56 -5,-0.5 2,-0.9 1,-0.2 -1,-0.3 0.641 102.0 133.5 75.5 18.2 3.8 -0.8 36.1 123 123 A L < + 0 0 46 -3,-0.9 -1,-0.2 -6,-0.1 -2,-0.0 -0.776 29.2 167.9-104.8 91.2 3.8 -2.2 32.6 124 124 A Y - 0 0 99 -2,-0.9 -120,-0.1 1,-0.1 3,-0.0 -0.545 40.8 -87.7 -95.8 161.3 7.3 -1.8 31.2 125 125 A P - 0 0 8 0, 0.0 -120,-0.2 0, 0.0 3,-0.2 -0.303 20.6-141.9 -61.1 149.2 9.0 -3.3 28.2 126 126 A D S S+ 0 0 70 -122,-2.6 2,-0.3 1,-0.3 -121,-0.2 0.757 94.3 11.5 -74.5 -26.8 10.7 -6.6 28.5 127 127 A L E -b 5 0A 5 -123,-1.4 -121,-2.8 2,-0.0 2,-0.5 -0.972 68.6-163.5-155.2 132.2 13.3 -5.2 26.2 128 128 A T E -bd 6 169A 0 40,-2.8 42,-2.0 -2,-0.3 2,-0.5 -0.990 9.5-152.5-124.8 122.6 14.0 -1.7 25.0 129 129 A I E -bd 7 170A 0 -123,-3.9 -121,-3.9 -2,-0.5 2,-0.6 -0.886 7.7-163.7 -95.7 124.7 16.2 -1.0 22.0 130 130 A Y E -bd 8 171A 0 40,-2.5 42,-1.8 -2,-0.5 2,-1.2 -0.950 11.6-148.6-108.8 113.8 17.9 2.4 22.0 131 131 A L E - d 0 172A 0 -123,-2.4 2,-1.1 -2,-0.6 42,-0.2 -0.712 18.3-151.7 -82.9 99.1 19.3 3.5 18.6 132 132 A N E + d 0 173A 50 40,-2.6 42,-1.2 -2,-1.2 43,-0.6 -0.619 25.3 167.5 -81.4 94.9 22.3 5.5 19.8 133 133 A V - 0 0 1 -2,-1.1 -120,-0.1 41,-0.2 42,-0.0 -0.887 34.2-121.5-110.7 138.5 23.0 8.1 17.2 134 134 A S > - 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0 0 23 -6,-1.8 4,-2.5 -7,-0.3 5,-0.3 0.145 17.6-121.1 123.4 119.3 7.3 5.0 -0.8 304 109 B V H > S+ 0 0 34 1,-0.2 4,-2.0 -7,-0.2 5,-0.1 0.923 113.1 42.9 -50.2 -56.1 7.1 8.3 1.1 305 110 B E H > S+ 0 0 131 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.797 111.6 54.0 -63.6 -35.1 10.8 9.2 0.6 306 111 B E H > S+ 0 0 104 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.945 113.0 43.9 -63.4 -45.0 10.9 8.1 -3.0 307 112 B V H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.801 111.3 54.2 -70.2 -31.3 8.0 10.4 -3.7 308 113 B R H X S+ 0 0 32 -4,-2.0 4,-3.2 -5,-0.3 -1,-0.2 0.906 108.7 49.9 -65.7 -46.1 9.6 13.2 -1.6 309 114 B A H X S+ 0 0 54 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.978 111.2 48.0 -52.5 -61.7 12.7 12.7 -3.8 310 115 B L H >X S+ 0 0 48 -4,-2.6 4,-1.6 1,-0.2 3,-0.7 0.944 115.8 46.0 -41.9 -59.2 10.6 13.0 -7.0 311 116 B N H 3X S+ 0 0 2 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.844 105.0 57.2 -61.4 -35.9 8.9 16.1 -5.5 312 117 B E H 3X>S+ 0 0 86 -4,-3.2 4,-0.8 1,-0.2 5,-0.6 0.879 107.7 52.1 -61.5 -33.1 12.1 17.8 -4.3 313 118 B F H X<5S+ 0 0 179 -4,-1.9 3,-0.5 -3,-0.7 -2,-0.2 0.930 110.4 46.5 -62.6 -50.0 13.3 17.6 -8.0 314 119 B A H 3<5S+ 0 0 5 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.741 119.2 38.9 -66.1 -30.5 10.1 19.2 -9.4 315 120 B I H ><5S- 0 0 1 -4,-1.8 3,-1.4 -46,-0.1 -1,-0.2 0.393 89.9-140.5-111.5 3.6 9.9 22.0 -6.9 316 121 B N T <<5S- 0 0 129 -4,-0.8 -3,-0.1 -3,-0.5 -4,-0.1 0.760 75.8 -48.2 50.5 33.5 13.6 23.0 -6.5 317 122 B G T 3 > - 0 0 30 -2,-0.4 4,-2.7 1,-0.1 3,-0.7 -0.648 24.7-111.6 -89.6 150.6 -11.6 11.6 10.6 330 135 B A H 3> S+ 0 0 17 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.845 116.9 51.8 -40.7 -44.3 -12.2 8.6 8.4 331 136 B E H 3> S+ 0 0 105 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.868 113.0 39.8 -69.5 -39.0 -15.8 8.4 9.8 332 137 B V H <> S+ 0 0 42 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.847 116.2 53.5 -76.1 -35.1 -16.9 12.1 9.2 333 138 B G H >X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 3,-0.7 0.988 107.2 49.4 -61.2 -63.1 -15.1 12.1 5.9 334 139 B R H 3X S+ 0 0 73 -4,-2.8 4,-1.9 1,-0.3 5,-0.3 0.908 111.5 52.0 -37.5 -54.9 -16.9 8.9 4.7 335 140 B E H 3X S+ 0 0 89 -4,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.831 106.7 51.5 -58.5 -37.8 -20.1 10.7 5.8 336 141 B R H < S+ 0 0 93 -4,-1.9 3,-0.6 -5,-0.3 -1,-0.2 0.857 112.1 55.9 -73.3 -44.6 -22.0 9.8 1.1 339 144 B K H 3< S+ 0 0 148 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.900 105.5 48.5 -57.3 -48.8 -23.9 12.9 2.1 340 145 B N T 3< 0 0 137 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.675 360.0 360.0 -68.7 -17.6 -23.2 14.9 -1.1 341 146 B S < 0 0 130 -3,-0.6 -2,-0.2 -4,-0.3 -1,-0.2 0.860 360.0 360.0 -96.0 360.0 -24.2 11.9 -3.1 342 ! 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 0.0 343 153 B D > 0 0 113 0, 0.0 4,-0.8 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 173.6 -17.8 -0.3 -2.3 344 154 B Q H > + 0 0 124 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.572 360.0 66.0 -71.3 -12.5 -15.3 -1.5 0.3 345 155 B E H > S+ 0 0 146 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.988 98.7 48.5 -70.1 -64.3 -12.4 -0.5 -1.9 346 156 B D H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.747 111.1 53.4 -41.2 -37.8 -13.0 3.3 -1.8 347 157 B L H X S+ 0 0 71 -4,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.958 110.1 40.1 -75.4 -55.4 -13.3 3.2 2.0 348 158 B K H X S+ 0 0 134 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.840 116.5 53.6 -63.6 -34.6 -10.1 1.5 3.2 349 159 B F H X S+ 0 0 75 -4,-2.1 4,-2.6 2,-0.2 3,-0.3 0.922 110.0 46.6 -63.6 -48.2 -8.2 3.5 0.5 350 160 B H H X S+ 0 0 15 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.880 110.2 53.4 -57.1 -42.4 -9.7 6.7 1.9 351 161 B E H X S+ 0 0 85 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.737 109.4 51.1 -64.4 -22.7 -8.7 5.4 5.4 352 162 B K H X S+ 0 0 91 -4,-0.9 4,-2.5 -3,-0.3 5,-0.2 0.931 102.8 55.9 -81.4 -49.0 -5.2 5.0 4.0 353 163 B V H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.920 110.8 46.7 -42.8 -54.8 -5.0 8.5 2.6 354 164 B I H X S+ 0 0 15 -4,-1.9 4,-3.1 1,-0.2 3,-0.4 0.956 107.8 56.2 -54.1 -56.8 -5.7 9.9 6.1 355 165 B E H X S+ 0 0 97 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.862 109.3 46.9 -40.2 -47.1 -3.2 7.5 7.7 356 166 B G H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.869 109.2 51.7 -71.9 -36.8 -0.5 8.9 5.4 357 167 B Y H X S+ 0 0 1 -4,-2.0 4,-2.0 -3,-0.4 -2,-0.2 0.922 106.9 57.9 -60.7 -41.3 -1.5 12.5 6.1 358 168 B Q H < S+ 0 0 73 -4,-3.1 4,-0.4 -5,-0.2 -2,-0.2 0.820 111.5 39.7 -55.6 -37.5 -1.1 11.4 9.8 359 169 B E H >< S+ 0 0 85 -4,-1.3 3,-1.4 -5,-0.2 -2,-0.2 0.961 111.6 54.6 -78.0 -55.3 2.5 10.3 9.2 360 170 B I H 3< S+ 0 0 11 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.1 0.865 103.3 56.5 -40.2 -51.6 3.6 13.2 7.0 361 171 B I T >< S+ 0 0 9 -4,-2.0 3,-1.3 -5,-0.2 -1,-0.2 0.662 82.7 98.8 -71.5 -21.2 2.5 15.9 9.4 362 172 B H T < S+ 0 0 73 -3,-1.4 -3,-0.0 -4,-0.4 -4,-0.0 -0.453 95.3 10.1 -58.6 132.5 4.6 14.6 12.4 363 173 B N T 3 S+ 0 0 61 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.664 109.5 89.1 65.5 19.8 7.9 16.6 12.7 364 174 B E <> + 0 0 47 -3,-1.3 4,-1.4 1,-0.1 3,-0.1 -0.412 42.6 124.7-132.8 54.8 6.9 19.2 10.2 365 175 B S T 4 + 0 0 88 2,-0.2 -1,-0.1 1,-0.2 -3,-0.1 0.727 56.2 77.7 -90.4 -21.5 5.1 21.7 12.5 366 176 B Q T 4 S+ 0 0 104 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.881 117.5 16.9 -42.7 -43.6 7.2 24.6 11.5 367 177 B R T 4 S+ 0 0 12 -3,-0.1 -44,-4.2 -45,-0.1 2,-0.3 0.647 113.4 81.5-111.9 -20.7 5.0 24.7 8.4 368 178 B F E < +h 323 0B 12 -4,-1.4 2,-0.3 -46,-0.2 -44,-0.2 -0.680 43.6 175.3 -88.8 141.3 1.9 22.6 9.2 369 179 B K E -h 324 0B 89 -46,-2.1 -44,-2.3 -2,-0.3 2,-0.4 -0.934 19.8-147.4-136.7 125.9 -1.1 23.8 11.2 370 180 B S E -h 325 0B 17 -318,-0.4 2,-0.3 -2,-0.3 -44,-0.2 -0.791 9.9-165.8 -93.1 129.4 -4.0 21.4 11.6 371 181 B V E -h 326 0B 5 -46,-2.5 -44,-1.9 -2,-0.4 2,-0.6 -0.806 33.4-103.0-105.4 152.4 -7.6 22.7 11.8 372 182 B N E -h 327 0B 35 -2,-0.3 -44,-0.2 1,-0.1 3,-0.2 -0.671 34.8-179.8 -74.2 119.5 -10.5 20.5 13.0 373 183 B A S S+ 0 0 0 -46,-3.6 -45,-0.2 -2,-0.6 -1,-0.1 0.220 73.5 75.4-106.1 10.8 -12.5 19.4 9.8 374 184 B D S S+ 0 0 51 -47,-0.3 -1,-0.2 -46,-0.1 -46,-0.1 0.666 81.2 91.6 -83.7 -22.8 -15.0 17.4 11.9 375 185 B Q S S- 0 0 48 -3,-0.2 5,-0.1 1,-0.1 0, 0.0 -0.215 100.2 -80.8 -61.4 153.9 -16.5 20.8 12.8 376 186 B P >> - 0 0 88 0, 0.0 4,-1.5 0, 0.0 3,-1.3 -0.240 48.7-108.7 -51.2 154.7 -19.3 22.3 10.7 377 187 B L H 3> S+ 0 0 52 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.810 117.7 65.4 -68.3 -28.3 -17.8 24.0 7.7 378 188 B E H 3> S+ 0 0 159 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.846 108.9 41.2 -51.5 -39.7 -18.6 27.5 9.0 379 189 B N H <> S+ 0 0 64 -3,-1.3 4,-2.3 2,-0.2 5,-0.2 0.767 108.3 57.6 -84.0 -31.4 -16.1 26.7 11.9 380 190 B V H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.924 108.7 50.4 -63.2 -39.8 -13.5 25.0 9.6 381 191 B V H X S+ 0 0 5 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.946 111.0 45.4 -58.5 -59.2 -13.4 28.2 7.7 382 192 B E H X S+ 0 0 67 -4,-1.4 4,-2.2 1,-0.2 5,-0.2 0.919 113.7 47.8 -55.4 -51.9 -12.9 30.6 10.7 383 193 B D H X S+ 0 0 61 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.837 114.9 47.8 -60.1 -34.1 -10.2 28.5 12.3 384 194 B T H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.907 110.8 50.2 -71.5 -46.4 -8.4 28.3 8.9 385 195 B Y H X S+ 0 0 26 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.828 112.0 48.4 -58.5 -35.5 -8.8 32.0 8.3 386 196 B Q H X S+ 0 0 81 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.851 109.0 53.2 -76.9 -39.5 -7.3 32.7 11.8 387 197 B T H X S+ 0 0 11 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.925 112.7 44.4 -53.9 -47.8 -4.5 30.4 11.2 388 198 B I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.934 116.1 44.2 -69.8 -48.0 -3.6 32.2 8.0 389 199 B I H X S+ 0 0 20 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.885 109.8 55.9 -68.8 -36.3 -3.9 35.7 9.3 390 200 B K H X S+ 0 0 72 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.906 109.5 49.5 -55.7 -40.5 -2.0 34.8 12.5 391 201 B Y H < S+ 0 0 89 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.905 112.7 45.0 -66.2 -43.2 0.8 33.7 10.1 392 202 B L H < S+ 0 0 44 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.892 109.2 55.2 -68.1 -41.0 0.7 36.8 8.0 393 203 B E H < 0 0 118 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.888 360.0 360.0 -64.9 -41.3 0.6 39.2 11.0 394 204 B K < 0 0 185 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.805 360.0 360.0-110.7 360.0 3.8 37.8 12.7