==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JAN-06 2CCJ . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.KOTAKA,B.DHALIWAL,J.REN,C.E.NICHOLS,R.ANGELL,M.LOCKYER, . 391 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 78.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 11.5 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 . 31 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 47.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.6 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 2 2 0 0 2 2 4 0 0 0 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 5 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 2 A S 0 0 96 0, 0.0 2,-0.3 0, 0.0 85,-0.2 0.000 360.0 360.0 360.0 167.1 -29.0 14.0 97.7 2 3 A A E -a 86 0A 2 83,-1.8 85,-3.7 2,-0.0 2,-0.7 -0.936 360.0-155.8-157.2 129.4 -31.3 17.0 98.0 3 4 A F E +a 87 0A 0 -2,-0.3 122,-2.7 83,-0.2 123,-1.6 -0.914 23.8 178.7-108.5 105.3 -30.7 20.8 97.7 4 5 A I E -ab 88 126A 0 83,-3.0 85,-3.1 -2,-0.7 2,-0.3 -0.938 7.0-166.1-114.4 121.3 -33.5 22.5 99.7 5 6 A T E -ab 89 127A 0 121,-2.3 123,-2.7 -2,-0.5 2,-0.4 -0.712 10.2-143.3-105.9 158.3 -33.6 26.3 100.0 6 7 A F E +ab 90 128A 0 83,-2.5 85,-1.8 -2,-0.3 2,-0.3 -0.978 21.5 178.6-121.8 129.8 -35.6 28.5 102.3 7 8 A E E + b 0 129A 0 121,-3.1 123,-3.0 -2,-0.4 83,-0.0 -0.923 15.2 122.8-131.0 155.4 -37.0 31.8 101.2 8 9 A G - 0 0 0 -2,-0.3 123,-0.1 121,-0.2 3,-0.1 -0.878 52.0 -92.6 166.6 161.7 -39.2 34.5 102.8 9 10 A P > - 0 0 1 0, 0.0 3,-1.0 0, 0.0 5,-0.3 -0.253 65.0 -68.5 -82.5-179.2 -39.3 38.2 103.6 10 11 A E T 3 S+ 0 0 116 1,-0.2 131,-0.1 2,-0.1 130,-0.1 -0.389 122.6 33.7 -66.7 149.6 -38.2 39.5 107.0 11 12 A G T 3 S+ 0 0 12 129,-0.1 -1,-0.2 -3,-0.1 129,-0.2 0.603 80.7 116.7 80.8 12.2 -40.5 38.4 109.8 12 13 A S S < S- 0 0 2 -3,-1.0 -2,-0.1 120,-0.1 125,-0.1 0.475 84.7-116.1 -91.3 -2.3 -41.3 35.0 108.3 13 14 A G > + 0 0 13 124,-0.1 4,-2.7 3,-0.1 5,-0.2 0.610 65.5 147.1 78.3 13.2 -39.8 33.0 111.1 14 15 A K H > + 0 0 19 -5,-0.3 4,-2.6 1,-0.2 5,-0.3 0.847 65.0 51.7 -50.9 -44.7 -37.2 31.6 108.7 15 16 A T H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.952 113.6 43.5 -60.5 -49.9 -34.4 31.3 111.2 16 17 A T H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 114.4 51.8 -60.8 -44.8 -36.5 29.4 113.7 17 18 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.924 110.1 45.3 -61.7 -49.3 -37.9 27.2 111.0 18 19 A I H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.936 115.2 48.5 -62.6 -44.3 -34.7 26.1 109.4 19 20 A N H X S+ 0 0 73 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.928 115.3 43.1 -62.3 -45.4 -33.1 25.4 112.8 20 21 A E H X S+ 0 0 87 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.907 114.9 48.9 -68.2 -39.9 -36.0 23.4 114.1 21 22 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 3,-0.4 0.926 110.4 52.7 -65.5 -40.7 -36.5 21.5 110.8 22 23 A Y H X S+ 0 0 58 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.944 107.2 51.2 -58.3 -49.2 -32.8 20.7 110.8 23 24 A H H < S+ 0 0 103 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.783 113.7 45.0 -62.1 -26.4 -32.9 19.3 114.3 24 25 A R H >< S+ 0 0 77 -4,-1.3 3,-0.7 -3,-0.4 4,-0.4 0.876 114.5 47.1 -82.4 -40.7 -35.8 17.0 113.4 25 26 A L H >X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 3,-1.1 0.823 97.3 70.6 -69.3 -32.6 -34.3 15.8 110.0 26 27 A V T 3< S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.735 86.6 67.2 -61.7 -21.3 -30.9 15.0 111.4 27 28 A K T <4 S+ 0 0 164 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.913 120.8 16.5 -63.6 -40.2 -32.2 12.0 113.3 28 29 A D T <4 S+ 0 0 118 -3,-1.1 2,-0.3 -4,-0.4 -2,-0.2 0.571 121.4 57.7-109.9 -15.2 -33.0 10.2 110.0 29 30 A Y S < S- 0 0 46 -4,-2.5 2,-1.6 2,-0.0 56,-0.1 -0.855 75.6-120.4-123.4 158.7 -31.0 12.0 107.3 30 31 A D + 0 0 87 -2,-0.3 56,-2.1 54,-0.2 2,-0.3 -0.692 62.6 157.9 -92.1 82.3 -27.4 13.0 106.5 31 32 A V E -c 86 0A 7 -2,-1.6 2,-0.3 54,-0.2 56,-0.2 -0.777 30.4-171.7-115.6 153.0 -28.3 16.7 106.5 32 33 A I E -c 87 0A 45 54,-2.1 56,-2.9 -2,-0.3 2,-0.4 -0.940 14.8-142.9-134.8 155.5 -26.5 20.0 106.9 33 34 A M E +c 88 0A 74 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.976 28.9 164.7-121.0 137.3 -27.8 23.5 107.2 34 35 A T E -c 89 0A 9 54,-3.0 56,-2.7 -2,-0.4 2,-0.3 -0.905 22.1-161.6-145.2 171.7 -26.0 26.4 105.7 35 36 A R E -c 90 0A 134 -2,-0.3 56,-0.1 54,-0.2 57,-0.1 -0.970 45.3 -61.7-153.2 149.2 -26.2 30.1 104.6 36 37 A E S S+ 0 0 20 54,-0.6 33,-0.1 1,-0.3 32,-0.1 -0.627 124.2 14.9 -79.5 138.5 -24.2 32.2 102.2 37 38 A P S > S- 0 0 3 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 -0.996 85.3-177.5 -78.3 -10.2 -21.3 32.7 102.6 38 39 A G T 3 S- 0 0 23 1,-0.3 -2,-0.1 5,-0.1 5,-0.0 0.777 73.2 -52.9 60.2 32.8 -21.3 29.9 105.1 39 40 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.3 2,-0.1 -3,-0.1 0.367 94.3 141.6 87.0 -8.4 -17.7 30.1 106.3 40 41 A V <> - 0 0 12 -3,-1.6 4,-2.6 1,-0.2 -1,-0.3 -0.601 50.4-140.0 -70.4 114.0 -16.3 29.9 102.7 41 42 A P H > S+ 0 0 98 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.848 98.3 44.9 -42.7 -52.0 -13.3 32.3 103.0 42 43 A T H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.909 113.7 50.8 -65.0 -39.4 -13.7 33.9 99.5 43 44 A G H > S+ 0 0 0 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.894 110.1 51.3 -62.7 -38.5 -17.5 34.2 100.1 44 45 A E H X S+ 0 0 81 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.907 109.7 48.5 -64.4 -43.9 -16.7 35.8 103.4 45 46 A E H X S+ 0 0 98 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.892 113.4 47.6 -64.3 -39.9 -14.3 38.4 101.8 46 47 A I H >X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 3,-0.9 0.953 111.6 48.9 -66.1 -49.7 -16.9 39.2 99.1 47 48 A R H 3X S+ 0 0 66 -4,-2.8 4,-2.2 1,-0.2 3,-0.3 0.853 104.3 62.8 -57.6 -35.5 -19.7 39.6 101.6 48 49 A K H 3X S+ 0 0 97 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.838 97.7 55.0 -59.7 -36.3 -17.5 41.8 103.7 49 50 A I H << S+ 0 0 19 -4,-1.1 -1,-0.2 -3,-0.9 4,-0.2 0.872 108.6 48.8 -66.5 -35.8 -17.2 44.4 100.9 50 51 A V H >< S+ 0 0 19 -4,-1.1 3,-0.9 -3,-0.3 -2,-0.2 0.920 111.5 48.8 -69.2 -43.2 -21.0 44.6 100.7 51 52 A L H 3< S+ 0 0 120 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.853 113.8 45.3 -65.9 -35.3 -21.3 45.1 104.5 52 53 A E T 3< S+ 0 0 126 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.416 90.4 126.4 -88.8 2.7 -18.6 47.8 104.6 53 54 A G < - 0 0 28 -3,-0.9 2,-0.6 -4,-0.2 -3,-0.1 -0.226 52.3-147.2 -64.3 148.4 -20.2 49.5 101.6 54 55 A N S S- 0 0 145 1,-0.1 3,-0.1 3,-0.0 -1,-0.1 -0.936 79.6 -31.9-118.9 104.8 -21.1 53.2 101.7 55 56 A D S S- 0 0 171 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.904 89.1-163.2 51.5 45.4 -24.2 53.8 99.5 56 57 A M - 0 0 29 -6,-0.2 -1,-0.2 1,-0.1 5,-0.0 -0.333 25.2 -99.9 -64.6 137.6 -23.0 51.0 97.2 57 58 A D > - 0 0 40 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.304 30.3-129.0 -54.6 134.4 -24.5 50.9 93.8 58 59 A I H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.777 106.1 52.5 -62.6 -28.2 -27.2 48.2 93.8 59 60 A R H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 108.2 50.9 -75.0 -36.8 -25.9 46.4 90.7 60 61 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.941 111.6 49.0 -62.0 -44.5 -22.5 46.1 92.3 61 62 A E H X S+ 0 0 48 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.930 109.9 51.6 -59.8 -44.7 -24.2 44.7 95.4 62 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.919 109.1 49.6 -60.4 -43.9 -26.1 42.2 93.3 63 64 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.858 110.8 50.4 -65.8 -31.6 -23.0 41.0 91.5 64 65 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.898 109.0 50.3 -73.6 -37.4 -21.3 40.6 94.9 65 66 A F H X S+ 0 0 44 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.915 113.3 48.6 -62.0 -39.8 -24.2 38.6 96.2 66 67 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.883 111.1 47.8 -67.3 -40.1 -23.9 36.5 93.1 67 68 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.921 113.7 47.1 -67.9 -43.4 -20.2 35.9 93.4 68 69 A S H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.917 109.4 56.2 -62.6 -42.0 -20.5 35.0 97.0 69 70 A R H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.909 107.9 47.4 -56.7 -44.6 -23.4 32.7 96.1 70 71 A R H X S+ 0 0 21 -4,-2.0 4,-3.1 2,-0.2 5,-0.4 0.927 110.2 50.9 -67.7 -41.5 -21.2 30.8 93.6 71 72 A E H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.945 113.5 46.0 -59.8 -44.2 -18.2 30.4 95.9 72 73 A H H X>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 4,-1.7 0.904 114.8 48.8 -63.5 -39.9 -20.6 29.0 98.6 73 74 A L H <>S+ 0 0 1 -4,-2.3 5,-3.3 -5,-0.2 -2,-0.2 0.964 118.8 35.9 -64.6 -52.2 -22.2 26.7 95.9 74 75 A V H <5S+ 0 0 38 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.854 125.1 38.2 -73.3 -36.2 -19.0 25.3 94.5 75 76 A L H <5S+ 0 0 96 -4,-2.7 -1,-0.2 -5,-0.4 -3,-0.2 0.699 135.4 9.6 -91.6 -18.1 -16.9 25.1 97.6 76 77 A K T X5S+ 0 0 63 -4,-1.7 4,-1.2 -5,-0.4 -3,-0.2 0.711 124.8 43.4-126.2 -51.9 -19.6 24.0 100.1 77 78 A V H > S+ 0 0 55 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.878 111.4 49.0 -59.5 -32.8 -19.3 18.9 97.6 80 81 A A H <>S+ 0 0 10 -4,-1.2 5,-2.2 -3,-0.4 3,-0.3 0.917 110.4 48.6 -70.9 -43.4 -22.1 18.0 100.1 81 82 A L H ><5S+ 0 0 24 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.858 107.1 57.0 -64.6 -34.3 -24.5 17.0 97.4 82 83 A K H 3<5S+ 0 0 175 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.828 103.0 54.4 -65.7 -29.7 -21.8 14.8 95.9 83 84 A E T 3<5S- 0 0 133 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.425 123.9-111.5 -80.8 0.0 -21.6 13.1 99.3 84 85 A G T < 5 + 0 0 42 -3,-1.6 -3,-0.2 1,-0.2 -54,-0.2 0.627 65.9 151.7 80.1 15.4 -25.3 12.5 98.9 85 86 A K < - 0 0 36 -5,-2.2 -83,-1.8 -84,-0.1 2,-0.6 -0.263 51.8-117.4 -78.4 162.1 -26.3 14.8 101.7 86 87 A V E -ac 2 31A 10 -56,-2.1 -54,-2.1 -85,-0.2 2,-0.6 -0.888 33.7-156.6 -94.7 124.8 -29.5 16.8 102.2 87 88 A V E -ac 3 32A 0 -85,-3.7 -83,-3.0 -2,-0.6 2,-0.7 -0.935 7.6-161.6-112.0 118.1 -28.5 20.5 102.1 88 89 A L E -ac 4 33A 0 -56,-2.9 -54,-3.0 -2,-0.6 2,-0.5 -0.880 14.4-166.9 -97.1 117.3 -30.7 23.0 103.8 89 90 A C E -ac 5 34A 0 -85,-3.1 -83,-2.5 -2,-0.7 2,-1.1 -0.929 18.6-143.4-116.0 123.5 -29.9 26.5 102.5 90 91 A D E S-ac 6 35A 21 -56,-2.7 -54,-0.6 -2,-0.5 -83,-0.1 -0.719 78.4 -14.6 -84.1 98.5 -31.1 29.7 104.2 91 92 A R S S+ 0 0 55 -85,-1.8 -55,-0.3 -2,-1.1 2,-0.2 0.493 70.7 163.7 77.9 138.6 -31.7 32.0 101.1 92 93 A Y >> - 0 0 0 -86,-0.1 3,-1.5 -57,-0.1 4,-0.9 -0.633 60.4 -25.5-154.7-146.5 -30.5 31.5 97.5 93 94 A I H >> S+ 0 0 0 1,-0.3 4,-2.1 -2,-0.2 3,-0.6 0.831 125.7 61.1 -50.2 -40.2 -31.3 32.8 94.1 94 95 A D H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.807 97.8 58.7 -61.8 -29.0 -34.9 33.8 94.9 95 96 A S H <> S+ 0 0 9 -3,-1.5 4,-2.9 2,-0.2 5,-0.5 0.898 106.2 48.0 -65.6 -40.4 -33.7 36.2 97.5 96 97 A S H S+ 0 0 1 -4,-0.9 5,-2.6 -3,-0.6 4,-0.8 0.924 112.3 50.6 -65.6 -40.2 -31.6 38.1 94.9 97 98 A L H <>S+ 0 0 1 -4,-2.1 5,-2.5 3,-0.2 -2,-0.2 0.943 116.9 39.3 -61.9 -46.3 -34.7 38.1 92.7 98 99 A A H <>S+ 0 0 0 -4,-2.7 5,-3.0 3,-0.2 -2,-0.2 0.910 128.2 29.3 -71.6 -44.2 -37.0 39.5 95.4 99 100 A Y H <>S+ 0 0 48 -4,-2.9 5,-2.7 -5,-0.2 6,-0.2 0.974 133.1 24.8 -82.9 -61.5 -34.6 42.0 97.0 100 101 A Q T <5S+ 0 0 12 -4,-0.8 6,-1.8 -5,-0.5 7,-0.4 0.931 131.7 39.0 -71.0 -44.4 -32.2 43.2 94.3 101 102 A G T - 0 0 27 -6,-2.4 4,-2.3 -7,-0.4 5,-0.2 0.042 14.8-118.3 120.9 128.1 -35.4 44.1 87.5 108 109 A V H > S+ 0 0 17 -7,-0.3 4,-2.3 1,-0.2 5,-0.2 0.913 112.9 49.1 -61.5 -44.0 -36.2 40.5 88.1 109 110 A E H > S+ 0 0 131 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 111.3 49.5 -64.6 -40.2 -35.2 39.3 84.7 110 111 A E H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.935 114.3 44.3 -64.0 -45.8 -31.9 41.1 84.8 111 112 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.839 110.7 55.8 -68.8 -31.2 -31.0 39.7 88.2 112 113 A R H X S+ 0 0 62 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.905 106.5 50.1 -66.2 -40.1 -32.2 36.3 87.1 113 114 A A H X S+ 0 0 43 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.921 110.7 50.0 -63.2 -43.3 -29.8 36.4 84.2 114 115 A L H X S+ 0 0 4 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.918 113.3 46.0 -60.7 -45.1 -26.9 37.4 86.6 115 116 A N H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.766 105.2 57.6 -75.0 -21.8 -27.8 34.6 88.9 116 117 A E H X S+ 0 0 89 -4,-1.9 4,-1.5 2,-0.2 5,-0.5 0.840 106.5 52.2 -73.7 -29.2 -28.1 31.9 86.3 117 118 A F H < S+ 0 0 10 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.933 112.3 47.2 -65.9 -44.5 -24.5 32.8 85.3 118 119 A A H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.878 119.8 34.6 -66.0 -41.1 -23.6 32.3 89.0 119 120 A I H >< S- 0 0 2 -4,-2.4 3,-2.1 -46,-0.0 -1,-0.2 0.576 88.3-147.8 -95.3 -7.6 -25.3 29.0 89.6 120 121 A N T 3< S- 0 0 90 -4,-1.5 -3,-0.1 1,-0.3 -4,-0.1 0.889 74.8 -40.2 41.1 58.0 -24.8 27.5 86.2 121 122 A G T 3 S+ 0 0 65 -5,-0.5 2,-1.6 1,-0.2 -1,-0.3 0.377 102.0 130.3 79.8 -3.3 -28.0 25.5 86.1 122 123 A L < + 0 0 45 -3,-2.1 -1,-0.2 -6,-0.2 3,-0.1 -0.591 30.5 167.6 -88.0 82.3 -27.9 24.3 89.7 123 124 A Y - 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0 0 30 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.434 27.8-113.3 -76.1 159.4 -2.1 39.1 63.4 333 135 B A H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.880 115.7 51.5 -59.6 -39.0 -1.3 36.1 65.7 334 136 B E H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 112.6 41.2 -66.6 -48.5 2.2 36.0 64.2 335 137 B V H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.912 115.3 52.4 -66.6 -41.2 3.2 39.7 64.7 336 138 B G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.916 107.9 52.0 -59.8 -43.6 1.5 39.8 68.1 337 139 B R H X S+ 0 0 79 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.930 111.6 45.8 -58.5 -48.3 3.6 36.7 69.1 338 140 B E H X S+ 0 0 91 -4,-2.0 4,-3.3 1,-0.2 -1,-0.2 0.873 110.5 53.1 -65.3 -36.4 6.8 38.4 68.0 339 141 B R H X S+ 0 0 18 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.925 110.0 48.2 -65.5 -41.5 6.0 41.6 69.7 340 142 B I H < S+ 0 0 55 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.932 114.7 45.4 -62.9 -45.4 5.3 39.8 73.0 341 143 B I H < S+ 0 0 44 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.918 109.3 55.8 -63.5 -42.2 8.6 37.9 72.6 342 144 B K H < 0 0 137 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.889 360.0 360.0 -55.9 -40.1 10.3 41.2 71.7 343 145 B N < 0 0 149 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.310 360.0 360.0 -93.9 360.0 9.0 42.6 74.9 344 ! 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 0.0 345 150 B N 0 0 179 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0-146.5 12.9 33.7 74.3 346 151 B R - 0 0 214 -5,-0.0 2,-0.3 0, 0.0 -8,-0.0 -0.895 360.0-110.8-141.1 168.9 9.8 31.8 73.0 347 152 B L - 0 0 53 -2,-0.3 -10,-0.0 1,-0.1 -6,-0.0 -0.819 34.6-104.1-108.1 147.3 6.2 31.3 74.0 348 153 B D > - 0 0 91 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.296 25.8-123.1 -64.8 148.8 4.5 28.1 75.3 349 154 B Q H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.819 113.2 56.0 -63.1 -31.3 2.4 26.2 72.8 350 155 B E H > S+ 0 0 151 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 108.8 46.4 -66.2 -45.4 -0.6 26.5 75.2 351 156 B D H > S+ 0 0 92 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.921 108.7 55.6 -62.6 -45.4 -0.2 30.3 75.3 352 157 B L H X S+ 0 0 50 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.902 109.3 47.0 -55.3 -42.9 0.1 30.4 71.5 353 158 B K H X S+ 0 0 116 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.879 112.2 49.0 -68.0 -38.0 -3.2 28.6 71.1 354 159 B F H X S+ 0 0 43 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.906 108.8 54.8 -67.0 -38.9 -5.0 30.8 73.7 355 160 B H H X S+ 0 0 11 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.928 108.4 48.5 -57.9 -47.0 -3.6 33.8 71.8 356 161 B E H X S+ 0 0 105 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.871 109.8 51.9 -62.4 -39.4 -5.2 32.5 68.6 357 162 B K H X S+ 0 0 112 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.897 107.2 52.5 -65.9 -40.3 -8.5 32.0 70.3 358 163 B V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.931 111.4 46.4 -60.6 -45.6 -8.6 35.5 71.7 359 164 B I H X S+ 0 0 17 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.917 110.8 52.7 -62.5 -43.1 -8.0 36.9 68.2 360 165 B E H X S+ 0 0 135 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.883 108.9 51.4 -59.9 -39.1 -10.7 34.6 66.8 361 166 B G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.915 108.3 49.3 -65.4 -44.5 -13.1 35.9 69.5 362 167 B Y H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.874 106.8 57.6 -62.5 -37.6 -12.4 39.6 68.6 363 168 B Q H < S+ 0 0 102 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.916 110.2 43.1 -59.1 -43.3 -13.0 38.8 65.0 364 169 B E H < S+ 0 0 132 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.894 111.2 54.1 -70.6 -39.9 -16.4 37.4 65.7 365 170 B I H < 0 0 29 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.914 360.0 360.0 -59.3 -44.2 -17.3 40.3 68.1 366 171 B I < 0 0 76 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.911 360.0 360.0 -87.9 360.0 -16.4 42.8 65.4 367 ! 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 0.0 368 176 B Q 0 0 231 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.2 -20.5 50.6 63.7 369 177 B R + 0 0 54 -44,-0.1 -43,-2.4 -3,-0.1 2,-0.2 0.844 360.0 76.0 -72.4 -34.7 -19.1 51.1 67.1 370 178 B F E -h 326 0B 34 -45,-0.2 2,-0.4 -4,-0.1 -43,-0.2 -0.544 53.0-176.8 -86.4 144.4 -15.8 49.5 66.1 371 179 B K E -h 327 0B 92 -45,-2.1 -43,-2.7 -2,-0.2 2,-0.3 -0.981 20.3-147.0-135.2 117.6 -13.0 51.0 64.0 372 180 B S E -h 328 0B 68 -2,-0.4 2,-0.4 -45,-0.2 -43,-0.2 -0.678 9.0-163.2 -91.8 145.2 -10.1 48.7 63.3 373 181 B V E -h 329 0B 5 -45,-2.7 -43,-2.4 -2,-0.3 2,-1.1 -0.978 30.8-112.8-124.1 135.6 -6.5 49.8 63.0 374 182 B N E > -h 330 0B 80 -2,-0.4 3,-0.9 1,-0.2 -43,-0.2 -0.593 33.1-177.2 -72.0 101.9 -3.9 47.6 61.3 375 183 B A T 3 + 0 0 0 -45,-1.7 -44,-0.2 -2,-1.1 -1,-0.2 0.318 68.4 81.6 -84.9 8.3 -1.7 46.7 64.2 376 184 B D T 3 S+ 0 0 69 -46,-0.5 -1,-0.2 -45,-0.1 3,-0.1 0.685 77.0 90.0 -82.3 -18.9 0.7 44.7 62.1 377 185 B Q S < S- 0 0 48 -3,-0.9 5,-0.1 1,-0.1 0, 0.0 -0.167 100.8 -77.1 -69.4 168.2 2.4 48.0 61.1 378 186 B P >> - 0 0 85 0, 0.0 4,-1.7 0, 0.0 3,-0.8 -0.343 50.7-107.6 -62.7 155.3 5.3 49.5 63.0 379 187 B L H 3> S+ 0 0 43 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.842 117.3 63.5 -54.8 -37.1 3.9 51.1 66.3 380 188 B E H 3> S+ 0 0 159 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 108.2 41.9 -53.7 -44.9 4.6 54.6 65.0 381 189 B N H <> S+ 0 0 61 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.835 110.8 55.3 -72.2 -35.2 2.0 54.0 62.2 382 190 B V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.907 110.1 47.9 -64.2 -40.0 -0.4 52.3 64.5 383 191 B V H X S+ 0 0 4 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.963 112.2 47.7 -63.4 -52.8 -0.4 55.4 66.7 384 192 B E H X S+ 0 0 75 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.924 113.1 48.5 -55.6 -47.7 -0.9 57.8 63.8 385 193 B D H X S+ 0 0 64 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.896 113.8 46.3 -60.7 -41.8 -3.8 55.7 62.4 386 194 B T H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.929 112.0 50.6 -67.7 -44.4 -5.5 55.5 65.8 387 195 B Y H X S+ 0 0 28 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.936 112.2 47.4 -58.9 -47.0 -5.0 59.2 66.5 388 196 B Q H X S+ 0 0 91 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.852 109.2 54.4 -63.3 -35.7 -6.5 60.1 63.1 389 197 B T H X S+ 0 0 37 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.903 111.6 44.6 -65.1 -40.7 -9.4 57.7 63.7 390 198 B I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.904 111.5 51.5 -71.7 -40.5 -10.2 59.4 67.0 391 199 B I H X S+ 0 0 28 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.937 108.6 52.5 -61.4 -45.5 -9.9 62.9 65.6 392 200 B K H < S+ 0 0 128 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.893 111.9 46.3 -56.8 -41.4 -12.2 62.1 62.7 393 201 B Y H >< S+ 0 0 84 -4,-1.5 3,-1.2 1,-0.2 -2,-0.2 0.942 113.2 47.7 -67.3 -46.8 -14.8 60.8 65.2 394 202 B L H 3< S+ 0 0 40 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.790 112.6 49.3 -66.2 -27.7 -14.5 63.8 67.6 395 203 B E T 3< 0 0 129 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.408 360.0 360.0 -93.0 2.2 -14.7 66.3 64.7 396 204 B K < 0 0 183 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.1 0.956 360.0 360.0 -85.1 360.0 -17.8 64.7 63.2