==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUL-10 3AKJ . COMPND 2 MOLECULE: CTKA; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR D.J.KIM,S.W.SUH . 550 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 385 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 37 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 2 1 1 2 4 4 0 2 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 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 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 P 0 0 85 0, 0.0 2,-0.4 0, 0.0 282,-0.0 0.000 360.0 360.0 360.0 -65.4 49.0 -40.9 9.5 2 3 A T - 0 0 76 57,-0.0 2,-0.3 1,-0.0 57,-0.1 -0.731 360.0-128.0 -92.0 133.0 49.1 -40.7 5.7 3 4 A I E -a 59 0A 5 55,-0.6 57,-2.1 -2,-0.4 2,-0.5 -0.589 14.9-157.6 -79.4 136.7 45.9 -41.3 3.7 4 5 A D E -a 60 0A 45 -2,-0.3 3,-0.3 276,-0.2 57,-0.2 -0.982 10.3-176.2-113.1 127.0 46.0 -43.8 0.9 5 6 A F > + 0 0 0 55,-3.2 3,-2.2 -2,-0.5 56,-0.2 0.363 52.7 109.6 -98.4 1.3 43.2 -43.4 -1.7 6 7 A T T 3 S+ 0 0 30 54,-0.4 -1,-0.2 1,-0.3 55,-0.1 0.783 83.7 37.7 -54.7 -36.1 44.2 -46.5 -3.8 7 8 A F T 3 S+ 0 0 177 -3,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.271 86.4 128.2-102.4 10.2 41.1 -48.5 -2.8 8 9 A C S < S- 0 0 8 -3,-2.2 12,-0.1 1,-0.1 2,-0.1 -0.450 71.4-100.6 -67.7 137.9 38.6 -45.7 -2.8 9 10 A E - 0 0 105 10,-0.4 10,-2.7 -2,-0.2 2,-0.2 -0.365 41.2-127.1 -57.5 127.8 35.5 -46.2 -4.9 10 11 A I B -B 18 0A 76 8,-0.2 8,-0.3 -2,-0.1 -1,-0.1 -0.528 8.5-130.5 -79.9 145.0 35.8 -44.5 -8.2 11 12 A N 0 0 55 6,-4.1 6,-0.4 -2,-0.2 -1,-0.0 -0.861 360.0 360.0 -95.7 107.5 33.2 -42.0 -9.4 12 13 A P 0 0 152 0, 0.0 6,-0.0 0, 0.0 4,-0.0 -0.354 360.0 360.0 -56.0 360.0 32.4 -43.0 -13.0 13 ! 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 14 23 A N 0 0 126 0, 0.0 15,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 97.9 45.3 -36.1 -14.8 15 24 A K E - C 0 28A 119 13,-0.2 2,-0.4 2,-0.0 13,-0.2 -0.997 360.0-167.2-138.9 135.6 42.4 -36.3 -12.4 16 25 A I E - C 0 27A 40 11,-1.9 11,-3.3 -2,-0.4 2,-0.6 -0.954 18.6-136.2-119.9 143.4 40.1 -39.0 -11.0 17 26 A S E + C 0 26A 17 -6,-0.4 -6,-4.1 -2,-0.4 2,-0.3 -0.862 36.4 163.5 -99.8 118.6 36.9 -38.5 -9.1 18 27 A L E -BC 10 25A 0 7,-2.6 7,-3.2 -2,-0.6 2,-0.5 -0.912 37.5-108.5-136.6 164.5 36.5 -40.8 -6.1 19 28 A F E + C 0 24A 72 -10,-2.7 2,-0.4 -2,-0.3 -10,-0.4 -0.771 36.3 167.7 -96.9 126.4 34.6 -41.2 -2.9 20 29 A Y E > S- C 0 23A 7 3,-3.4 3,-1.9 -2,-0.5 -15,-0.0 -0.994 70.3 -5.3-139.7 132.8 36.2 -40.6 0.5 21 30 A N T 3 S- 0 0 21 -2,-0.4 313,-0.1 1,-0.3 -1,-0.1 0.889 129.6 -58.6 50.6 42.4 34.5 -40.3 3.8 22 31 A N T 3 S+ 0 0 33 1,-0.2 2,-0.3 497,-0.1 -1,-0.3 0.583 120.9 100.0 66.9 12.4 31.2 -40.5 2.0 23 32 A E E < S-C 20 0A 32 -3,-1.9 -3,-3.4 51,-0.0 2,-0.4 -0.923 76.8-106.8-130.5 154.0 32.0 -37.4 -0.1 24 33 A L E -C 19 0A 39 -2,-0.3 47,-2.8 -5,-0.2 2,-0.4 -0.637 35.7-177.3 -82.4 131.0 33.3 -36.9 -3.6 25 34 A Y E -CD 18 70A 5 -7,-3.2 -7,-2.6 -2,-0.4 2,-0.6 -0.953 23.6-136.6-123.2 147.4 37.0 -35.7 -4.1 26 35 A M E -CD 17 69A 58 43,-2.9 43,-2.9 -2,-0.4 2,-0.5 -0.924 22.7-151.0 -99.7 121.3 38.9 -34.9 -7.2 27 36 A V E -CD 16 68A 0 -11,-3.3 -11,-1.9 -2,-0.6 2,-0.4 -0.831 7.7-157.7 -99.8 123.4 42.3 -36.4 -7.0 28 37 A K E -CD 15 67A 26 39,-2.7 39,-1.5 -2,-0.5 -13,-0.2 -0.855 5.3-148.6-104.6 133.9 45.1 -34.6 -8.9 29 38 A F - 0 0 25 -15,-2.3 37,-0.1 -2,-0.4 6,-0.0 -0.702 22.7-105.0-100.6 152.2 48.2 -36.3 -10.0 30 39 A P 0 0 47 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.456 360.0 360.0 -69.9 146.6 51.8 -34.9 -10.4 31 40 A P 0 0 145 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 1.000 360.0 360.0 -64.1 360.0 53.0 -34.2 -13.9 32 ! 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 33 51 A T 0 0 104 0, 0.0 3,-0.3 0, 0.0 136,-0.2 0.000 360.0 360.0 360.0 -48.3 56.5 -31.3 -10.5 34 52 A N > + 0 0 18 134,-2.6 4,-3.0 1,-0.2 5,-0.1 0.011 360.0 119.2-104.2 25.3 55.5 -30.1 -7.0 35 53 A G H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.771 72.0 54.3 -63.7 -28.7 52.0 -28.9 -8.1 36 54 A C H > S+ 0 0 7 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.928 112.9 42.5 -73.1 -44.6 50.3 -31.3 -5.7 37 55 A F H > S+ 0 0 26 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.882 113.4 54.1 -63.9 -43.0 52.3 -29.9 -2.8 38 56 A S H X S+ 0 0 3 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.962 109.7 46.6 -55.6 -53.1 51.7 -26.4 -4.1 39 57 A E H X S+ 0 0 4 -4,-2.6 4,-2.5 124,-0.2 5,-0.2 0.930 116.4 44.2 -56.0 -49.1 48.0 -26.9 -4.2 40 58 A Y H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.948 117.6 41.7 -65.4 -51.4 47.8 -28.4 -0.8 41 59 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.928 116.1 50.6 -63.0 -45.2 50.1 -26.0 1.0 42 60 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.4 -2,-0.2 0.921 110.8 47.5 -62.6 -43.2 48.6 -23.0 -0.7 43 61 A C H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.904 111.8 50.8 -66.8 -38.4 45.0 -23.9 0.1 44 62 A H H X S+ 0 0 9 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.883 110.5 49.7 -64.9 -35.1 45.9 -24.5 3.7 45 63 A I H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.918 109.5 51.2 -66.8 -42.4 47.6 -21.1 3.8 46 64 A V H ><>S+ 0 0 1 -4,-2.6 5,-1.7 1,-0.2 3,-1.1 0.934 108.5 52.0 -58.5 -44.0 44.6 -19.5 2.3 47 65 A N H ><5S+ 0 0 65 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.908 105.4 55.6 -57.3 -40.9 42.5 -21.2 5.0 48 66 A S H 3<5S+ 0 0 25 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.679 99.7 60.5 -70.2 -16.3 44.8 -19.8 7.6 49 67 A L T <<5S- 0 0 0 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.431 119.5-110.9 -85.0 -2.0 44.1 -16.3 6.2 50 68 A G T < 5S+ 0 0 28 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.673 74.3 136.4 78.4 17.8 40.4 -16.8 7.0 51 69 A L < - 0 0 18 -5,-1.7 -1,-0.3 74,-0.1 2,-0.3 -0.773 63.1-106.5 -97.3 144.6 39.4 -17.0 3.4 52 70 A K + 0 0 117 -2,-0.3 107,-2.7 -3,-0.1 2,-0.3 -0.529 52.9 163.8 -72.0 129.9 36.9 -19.7 2.2 53 71 A V B -f 159 0B 24 105,-0.3 107,-0.2 -2,-0.3 3,-0.1 -0.968 42.0 -87.0-147.9 154.2 38.8 -22.3 0.2 54 72 A Q - 0 0 17 105,-2.8 2,-0.3 -2,-0.3 -7,-0.1 -0.310 50.1-107.3 -60.3 147.8 38.3 -25.9 -1.1 55 73 A E - 0 0 74 15,-0.3 15,-2.3 -8,-0.0 2,-0.4 -0.594 41.5-167.6 -77.5 137.9 39.3 -28.6 1.3 56 74 A T E - E 0 69A 3 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.974 15.0-175.8-133.4 147.0 42.5 -30.4 0.5 57 75 A L E - E 0 68A 15 11,-2.0 11,-3.4 -2,-0.4 2,-0.5 -0.987 15.9-145.5-134.7 143.9 44.3 -33.6 1.5 58 76 A L E + E 0 67A 9 -2,-0.3 -55,-0.6 9,-0.2 2,-0.2 -0.943 42.9 125.2-108.1 131.9 47.7 -35.0 0.5 59 77 A G E -aE 3 66A 0 7,-2.4 7,-2.5 -2,-0.5 2,-0.3 -0.774 52.6 -78.5-157.5-157.7 48.0 -38.7 0.3 60 78 A T E -aE 4 65A 28 -57,-2.1 -55,-3.2 5,-0.2 -54,-0.4 -0.894 19.7-167.9-123.9 151.2 49.0 -41.5 -2.0 61 79 A Y E > S- E 0 64A 31 3,-2.6 3,-0.9 -2,-0.3 2,-0.4 -0.863 71.7 -51.1-137.1 105.7 47.2 -43.3 -4.9 62 80 A K T 3 S- 0 0 140 -2,-0.4 -56,-0.1 1,-0.2 -55,-0.0 -0.542 126.4 -16.8 62.2-120.8 49.0 -46.4 -5.9 63 81 A N T 3 S+ 0 0 143 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.2 0.048 122.3 89.6-101.4 30.5 52.6 -45.3 -6.4 64 82 A K E < S- E 0 61A 91 -3,-0.9 -3,-2.6 -35,-0.0 2,-0.5 -0.946 70.8-128.5-131.5 144.9 51.9 -41.6 -6.6 65 83 A I E + E 0 60A 62 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.781 40.6 179.3 -87.4 130.8 51.6 -38.6 -4.2 66 84 A V E - E 0 59A 0 -7,-2.5 -7,-2.4 -2,-0.5 2,-0.5 -0.904 30.1-134.3-131.1 156.6 48.3 -36.9 -4.9 67 85 A V E -DE 28 58A 1 -39,-1.5 -39,-2.7 -2,-0.3 2,-0.5 -0.968 21.3-153.3-108.5 127.7 46.3 -33.9 -3.7 68 86 A A E -DE 27 57A 0 -11,-3.4 -11,-2.0 -2,-0.5 2,-0.5 -0.893 6.7-162.8-102.5 124.7 42.6 -34.7 -3.1 69 87 A C E -DE 26 56A 6 -43,-2.9 -43,-2.9 -2,-0.5 -13,-0.2 -0.933 21.0-123.5-110.9 122.9 40.3 -31.7 -3.4 70 88 A K E -D 25 0A 28 -15,-2.3 2,-0.3 -2,-0.5 -15,-0.3 -0.439 26.7-115.1 -69.7 132.2 36.8 -32.0 -2.0 71 89 A D - 0 0 45 -47,-2.8 -47,-0.2 -2,-0.2 -1,-0.1 -0.476 29.8-176.0 -64.6 122.3 34.0 -31.4 -4.4 72 90 A F + 0 0 40 -2,-0.3 2,-1.4 1,-0.2 -1,-0.2 0.455 66.6 87.6-100.3 -1.3 32.1 -28.3 -3.3 73 91 A T + 0 0 38 73,-0.0 4,-0.2 6,-0.0 2,-0.2 -0.363 63.3 177.4 -87.5 56.1 29.5 -28.5 -6.0 74 92 A T - 0 0 84 -2,-1.4 3,-0.4 2,-0.1 -2,-0.0 -0.517 51.4 -78.8 -64.9 140.3 27.6 -30.7 -3.7 75 93 A H S S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.233 123.9 50.1 -63.7 155.0 24.6 -31.2 -5.8 76 94 A Q S S+ 0 0 111 -3,-0.1 73,-2.1 1,-0.1 2,-0.4 0.287 105.9 78.8 86.1 0.7 22.0 -28.5 -5.8 77 95 A Y E -G 148 0C 73 -3,-0.4 2,-0.4 71,-0.3 71,-0.2 -0.991 61.9-169.0-136.3 130.9 25.0 -26.3 -6.6 78 96 A E E -G 147 0C 88 69,-2.6 69,-2.4 -2,-0.4 2,-0.4 -0.926 24.2-121.1-115.8 141.9 26.7 -25.9 -9.9 79 97 A L E -G 146 0C 70 -2,-0.4 2,-0.5 67,-0.2 67,-0.2 -0.660 25.0-175.1 -77.4 127.6 30.1 -24.1 -10.5 80 98 A V E -G 145 0C 27 65,-2.7 65,-2.8 -2,-0.4 77,-0.2 -0.969 19.8-142.8-121.0 112.3 29.9 -21.2 -12.9 81 99 A D E > -G 144 0C 48 -2,-0.5 4,-1.6 63,-0.2 3,-0.5 -0.342 19.5-116.7 -78.7 158.1 33.4 -19.9 -13.5 82 100 A F H > S+ 0 0 0 61,-2.8 4,-3.4 58,-0.5 5,-0.2 0.876 113.8 62.5 -57.8 -38.1 34.2 -16.2 -14.0 83 101 A L H > S+ 0 0 43 57,-2.0 4,-2.5 60,-0.4 -1,-0.2 0.905 101.8 49.8 -52.3 -46.0 35.3 -17.0 -17.5 84 102 A S H > S+ 0 0 50 -3,-0.5 4,-0.5 56,-0.2 -1,-0.2 0.911 114.1 44.9 -65.6 -42.3 31.9 -18.1 -18.5 85 103 A L H >< S+ 0 0 15 -4,-1.6 3,-1.6 1,-0.2 4,-0.3 0.964 113.9 49.3 -61.6 -51.7 30.3 -15.0 -17.1 86 104 A K H >< S+ 0 0 3 -4,-3.4 3,-1.6 1,-0.3 -2,-0.2 0.853 103.8 61.1 -59.2 -35.1 32.9 -12.7 -18.6 87 105 A N H 3< S+ 0 0 93 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.683 98.6 57.3 -67.2 -19.0 32.4 -14.4 -22.0 88 106 A T T << S+ 0 0 98 -3,-1.6 2,-1.1 -4,-0.5 -1,-0.3 0.491 79.8 102.8 -91.0 -3.8 28.8 -13.3 -22.2 89 107 A M X - 0 0 16 -3,-1.6 3,-1.4 -4,-0.3 -1,-0.1 -0.677 49.7-173.8 -89.8 99.8 29.6 -9.7 -21.8 90 108 A I T 3 S+ 0 0 150 -2,-1.1 -1,-0.2 1,-0.3 -4,-0.0 0.787 77.1 68.4 -65.1 -30.8 29.2 -8.2 -25.2 91 109 A E T 3 S+ 0 0 97 2,-0.0 2,-0.7 1,-0.0 -1,-0.3 0.759 86.3 84.2 -59.4 -24.1 30.5 -4.7 -24.2 92 110 A L < - 0 0 21 -3,-1.4 4,-0.1 -6,-0.2 -1,-0.0 -0.739 64.8-164.2 -85.7 118.3 33.8 -6.3 -23.8 93 111 A E S S+ 0 0 176 -2,-0.7 -1,-0.2 2,-0.1 -2,-0.0 0.954 72.6 69.8 -61.6 -54.3 35.7 -6.6 -27.1 94 112 A K S S- 0 0 99 1,-0.1 -2,-0.0 2,-0.1 2,-0.0 -0.293 95.0-104.3 -66.6 152.6 38.2 -9.1 -25.8 95 113 A S > - 0 0 57 1,-0.1 3,-1.9 -7,-0.0 -1,-0.1 -0.271 34.7 -95.8 -78.7 168.1 36.9 -12.6 -25.1 96 114 A G T 3 S+ 0 0 1 1,-0.3 44,-0.1 -13,-0.1 -10,-0.1 0.751 119.7 61.4 -55.6 -31.5 36.2 -14.1 -21.6 97 115 A K T 3 S+ 0 0 160 42,-0.1 43,-0.4 43,-0.1 -1,-0.3 0.728 80.3 104.2 -71.1 -20.8 39.6 -15.8 -21.3 98 116 A D < - 0 0 21 -3,-1.9 99,-0.1 1,-0.1 -4,-0.0 -0.395 58.8-157.2 -65.3 136.9 41.5 -12.4 -21.6 99 117 A T + 0 0 11 97,-0.2 99,-2.2 -2,-0.1 2,-0.2 0.012 31.8 150.8-111.5 27.1 42.8 -11.3 -18.2 100 118 A N B > -i 198 0D 16 97,-0.2 4,-2.0 1,-0.1 99,-0.2 -0.445 45.2-137.6 -53.3 125.7 43.2 -7.5 -18.7 101 119 A L H > S+ 0 0 16 97,-2.9 4,-2.9 1,-0.2 5,-0.3 0.926 99.1 51.2 -59.6 -50.2 42.7 -6.2 -15.1 102 120 A N H > S+ 0 0 85 96,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.876 110.9 49.3 -57.9 -37.5 40.5 -3.2 -16.0 103 121 A D H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 111.1 50.3 -66.6 -39.9 38.1 -5.5 -18.1 104 122 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.923 110.6 48.6 -62.1 -45.7 37.9 -8.0 -15.2 105 123 A L H X S+ 0 0 24 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.867 110.1 52.6 -64.1 -35.7 37.1 -5.1 -12.8 106 124 A Y H X S+ 0 0 79 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.950 108.5 49.9 -63.1 -47.6 34.4 -3.9 -15.2 107 125 A A H X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.2 3,-0.3 0.909 109.6 51.4 -58.1 -42.9 32.9 -7.4 -15.4 108 126 A I H < S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.869 112.1 47.5 -58.1 -38.3 32.8 -7.6 -11.5 109 127 A D H < S+ 0 0 82 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.739 117.4 42.0 -78.0 -21.9 31.0 -4.2 -11.5 110 128 A N H < S+ 0 0 68 -4,-1.6 -1,-0.2 -3,-0.3 2,-0.2 0.226 88.8 100.9-114.9 12.7 28.5 -5.2 -14.2 111 129 A Q < - 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0 0 42 4,-3.3 3,-1.7 -2,-0.3 6,-0.1 -0.173 50.0 -87.4 -76.8-177.2 6.1 -31.4 28.0 478 218 B D T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.2 -100,-0.1 0.520 128.8 59.7 -77.1 -2.7 4.7 -29.2 30.8 479 219 B N T 3 S- 0 0 140 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.067 120.5-108.4-102.5 19.3 4.3 -32.4 33.0 480 220 B D S < S+ 0 0 88 -3,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.756 74.4 143.5 60.0 23.7 8.0 -33.0 32.7 481 221 B K - 0 0 126 1,-0.1 -4,-3.3 3,-0.0 -1,-0.2 -0.813 56.9-107.3 -96.1 138.4 7.3 -35.9 30.4 482 222 B K B -T 476 0H 104 -2,-0.4 2,-0.6 -6,-0.2 -6,-0.2 -0.297 37.1-108.9 -60.2 141.0 9.6 -36.7 27.5 483 223 B I - 0 0 12 -8,-2.6 -10,-2.6 -10,-0.5 2,-0.4 -0.647 27.1-138.3 -80.2 118.6 8.2 -35.8 24.1 484 224 B N > - 0 0 19 -2,-0.6 4,-2.7 -12,-0.2 5,-0.3 -0.668 8.8-141.6 -76.5 124.6 7.4 -39.0 22.2 485 225 B Y H > S+ 0 0 2 -2,-0.4 4,-2.5 -14,-0.4 5,-0.3 0.945 97.0 40.3 -56.0 -56.1 8.6 -38.5 18.6 486 226 B Y H > S+ 0 0 61 -19,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.954 118.0 46.5 -59.4 -51.3 5.6 -40.3 16.9 487 227 B D H 4 S+ 0 0 70 -19,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.878 117.9 42.3 -61.4 -39.7 2.9 -38.9 19.2 488 228 B F H >X S+ 0 0 42 -4,-2.7 4,-1.9 2,-0.2 3,-0.8 0.925 114.5 47.9 -73.7 -45.0 4.2 -35.4 19.0 489 229 B L H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.815 113.5 47.9 -69.8 -30.9 4.9 -35.2 15.3 490 230 B T T 3< S+ 0 0 17 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.536 122.8 32.5 -86.1 -6.7 1.5 -36.7 14.3 491 231 B Q T <4 S+ 0 0 121 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.2 0.489 87.3 116.2-126.5 -9.3 -0.5 -34.4 16.6 492 232 B T < - 0 0 13 -4,-1.9 -4,-0.0 1,-0.1 -3,-0.0 -0.328 37.8-172.8 -67.1 144.6 1.3 -31.1 16.7 493 233 B N + 0 0 119 -2,-0.0 2,-0.9 4,-0.0 -1,-0.1 0.092 44.0 128.8-117.6 19.0 -0.2 -28.0 15.4 494 234 B N >> - 0 0 42 1,-0.2 4,-2.2 2,-0.1 3,-0.6 -0.676 49.7-155.5 -70.4 108.6 3.0 -25.9 15.8 495 235 B K H 3> S+ 0 0 141 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.804 90.9 60.2 -56.6 -34.5 3.3 -24.4 12.3 496 236 B D H 3> S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.878 108.3 44.1 -62.7 -38.7 7.1 -24.0 12.9 497 237 B C H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.922 114.1 48.3 -71.2 -46.5 7.4 -27.8 13.3 498 238 B L H X S+ 0 0 18 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.910 110.8 51.9 -61.8 -42.7 5.1 -28.7 10.4 499 239 B D H X S+ 0 0 52 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.947 108.8 50.6 -57.3 -49.2 7.0 -26.2 8.1 500 240 B A H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.896 107.7 53.3 -56.2 -42.9 10.3 -27.9 9.1 501 241 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.920 111.1 46.4 -57.1 -44.7 8.8 -31.3 8.3 502 242 B L H < S+ 0 0 43 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 114.2 48.8 -67.4 -35.7 7.9 -30.0 4.9 503 243 B R H < S+ 0 0 78 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.911 117.8 37.7 -67.9 -46.7 11.3 -28.4 4.4 504 244 B I H >X S+ 0 0 2 -4,-2.9 3,-1.6 -5,-0.2 4,-0.6 0.822 98.4 75.3 -82.8 -33.5 13.4 -31.4 5.4 505 245 B Y G >< S+ 0 0 64 -4,-2.3 3,-2.3 -5,-0.3 -1,-0.2 0.903 95.1 49.8 -47.0 -55.4 11.4 -34.3 3.9 506 246 B P G 34 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.733 106.2 59.3 -59.5 -20.0 12.4 -33.7 0.3 507 247 B R G <4 S+ 0 0 82 -3,-1.6 2,-0.6 -4,-0.3 -2,-0.2 0.547 79.3 103.4 -89.5 -7.1 16.0 -33.6 1.4 508 248 B I << - 0 0 22 -3,-2.3 2,-0.6 -4,-0.6 -181,-0.1 -0.678 49.3-177.9 -74.4 117.5 15.8 -37.1 2.8 509 249 B D > - 0 0 63 -2,-0.6 4,-2.3 1,-0.1 3,-0.3 -0.883 9.6-173.5-121.6 95.5 17.6 -39.3 0.4 510 250 B M H > S+ 0 0 34 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.827 83.2 59.5 -63.8 -32.3 17.3 -42.9 1.6 511 251 B N H > S+ 0 0 138 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 110.5 41.6 -56.4 -49.0 19.7 -44.2 -1.2 512 252 B K H > S+ 0 0 99 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.884 113.2 54.3 -65.9 -40.1 22.5 -41.9 0.1 513 253 B I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.919 110.4 45.0 -64.4 -43.3 21.6 -42.7 3.7 514 254 B H H X S+ 0 0 31 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.860 110.2 55.3 -67.7 -34.7 21.9 -46.4 3.1 515 255 B S H X S+ 0 0 43 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.902 105.1 53.6 -62.4 -40.9 25.1 -45.9 1.2 516 256 B I H < S+ 0 0 5 -4,-2.4 4,-0.3 2,-0.2 -2,-0.2 0.945 110.2 46.9 -58.1 -47.6 26.6 -44.0 4.2 517 257 B I H >< S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.951 112.7 49.8 -57.6 -49.5 25.7 -47.0 6.4 518 258 B D H 3< S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.866 111.7 48.5 -58.6 -37.3 27.3 -49.4 3.8 519 259 B N T 3< S+ 0 0 78 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.290 82.0 116.4 -91.9 10.7 30.5 -47.4 3.6 520 260 B T X - 0 0 4 -3,-1.6 3,-0.8 -4,-0.3 8,-0.1 -0.695 63.5-126.5 -86.0 123.4 31.1 -47.0 7.3 521 261 B P T 3 S+ 0 0 47 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.302 80.3 12.7 -69.1 145.1 34.3 -48.7 8.4 522 262 B F T 3 S+ 0 0 94 1,-0.3 2,-0.2 -186,-0.0 -179,-0.1 0.323 88.2 138.0 81.7 -2.8 34.6 -51.2 11.2 523 263 B M < - 0 0 13 -3,-0.8 -1,-0.3 -6,-0.1 2,-0.1 -0.516 53.8-122.5 -74.7 140.4 31.0 -51.7 11.4 524 264 B S > - 0 0 35 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.334 19.0-119.4 -74.8 159.5 29.6 -55.2 11.8 525 265 B E H > S+ 0 0 141 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.882 115.7 50.2 -67.9 -39.7 27.2 -56.6 9.2 526 266 B I H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.771 110.3 52.1 -69.8 -26.8 24.5 -57.2 11.8 527 267 B H H > S+ 0 0 4 2,-0.2 4,-2.8 3,-0.2 -2,-0.2 0.931 112.4 44.1 -73.7 -46.5 25.1 -53.6 12.9 528 268 B K H X S+ 0 0 30 -4,-2.3 4,-3.5 2,-0.2 5,-0.2 0.935 114.3 49.4 -58.5 -48.8 24.7 -52.3 9.3 529 269 B E H X S+ 0 0 102 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.932 112.1 49.7 -57.6 -45.0 21.7 -54.5 8.7 530 270 B F H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.928 113.3 45.4 -58.5 -48.5 20.2 -53.2 12.0 531 271 B L H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.928 111.0 52.6 -65.2 -43.9 20.8 -49.6 11.0 532 272 B H H X S+ 0 0 35 -4,-3.5 4,-1.8 1,-0.2 -1,-0.2 0.916 113.7 44.8 -54.4 -44.9 19.5 -50.1 7.4 533 273 B T H X S+ 0 0 40 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.953 113.5 47.0 -67.1 -51.2 16.3 -51.6 8.9 534 274 B M H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.852 110.1 53.4 -64.3 -36.7 15.7 -49.0 11.6 535 275 B L H X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.944 111.5 46.5 -61.1 -45.5 16.3 -46.1 9.3 536 276 B D H X S+ 0 0 72 -4,-1.8 4,-2.4 -5,-0.3 5,-0.3 0.927 114.7 47.7 -59.7 -45.4 13.7 -47.5 6.9 537 277 B E H X S+ 0 0 42 -4,-2.7 4,-2.9 2,-0.2 5,-0.4 0.928 112.0 47.2 -64.2 -47.6 11.3 -48.1 9.8 538 278 B R H X>S+ 0 0 2 -4,-3.1 5,-1.9 1,-0.2 4,-1.7 0.910 113.2 51.5 -61.1 -40.2 11.7 -44.6 11.4 539 279 B K H <>S+ 0 0 26 -4,-2.2 5,-2.9 -5,-0.3 -2,-0.2 0.927 119.7 32.3 -63.9 -46.4 11.3 -43.1 7.9 540 280 B S H <>S+ 0 0 54 -4,-2.4 5,-0.8 3,-0.2 -2,-0.2 0.940 124.1 42.6 -77.9 -44.6 8.0 -44.9 7.0 541 281 B K H <5S+ 0 0 42 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.698 133.9 10.5 -80.3 -22.5 6.4 -45.2 10.5 542 282 B I T X5S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.4 5,-0.3 0.688 129.6 40.8-116.3 -62.9 7.2 -41.7 11.8 543 283 B I H >X S+ 0 0 66 -4,-2.8 4,-1.2 2,-0.2 3,-0.9 0.979 109.2 51.1 -52.5 -59.8 0.8 -31.9 3.7 552 292 B E H >< S+ 0 0 111 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.910 111.2 46.5 -42.3 -57.8 -2.8 -32.2 4.5 553 293 B L H 3< S+ 0 0 85 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.715 102.1 64.5 -67.0 -23.2 -2.8 -29.3 6.9 554 294 B S H << 0 0 89 -4,-1.5 -1,-0.3 -3,-0.9 -2,-0.2 0.839 360.0 360.0 -66.9 -31.1 -0.8 -27.1 4.5 555 295 B L << 0 0 169 -4,-1.2 -3,-0.0 -3,-1.2 0, 0.0 0.086 360.0 360.0 -68.6 360.0 -3.9 -27.3 2.2