==== 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 04-JUN-12 4FG8 . COMPND 2 MOLECULE: CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.ZHA,C.ZHONG,Y.OU,J.WANG,L.HAN,J.DING . 531 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 15.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 43 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 2 3 2 0 1 3 2 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 . 2 1 2 0 1 3 4 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 2 1 1 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 10 A W 0 0 196 0, 0.0 66,-0.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 62.9 7.0 38.1 33.3 2 11 A K E -a 67 0A 105 64,-1.6 66,-0.9 1,-0.0 2,-0.4 -0.211 360.0-122.1 -85.7 177.7 8.6 41.2 34.8 3 12 A Q E -a 68 0A 116 64,-0.2 2,-0.4 -2,-0.0 66,-0.2 -0.984 16.0-145.9-123.8 143.2 10.7 44.0 33.1 4 13 A A - 0 0 9 64,-2.3 3,-0.3 -2,-0.4 66,-0.2 -0.897 11.0-164.6-107.4 133.3 14.2 45.0 34.0 5 14 A E S S+ 0 0 164 -2,-0.4 2,-0.6 1,-0.4 65,-0.3 0.962 99.7 4.1 -69.8 -72.4 15.5 48.5 33.8 6 15 A D S > S- 0 0 56 1,-0.1 3,-2.8 63,-0.1 4,-0.4 -0.960 73.8-155.4-109.7 111.4 19.0 47.3 34.1 7 16 A I G >> S+ 0 0 10 -2,-0.6 4,-2.3 -3,-0.3 3,-1.5 0.816 94.4 68.7 -51.2 -27.6 18.8 43.5 34.1 8 17 A R G 34 S+ 0 0 160 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.553 80.1 71.7 -72.6 -11.7 22.2 43.8 35.9 9 18 A D G <4 S+ 0 0 97 -3,-2.8 -1,-0.3 1,-0.1 -2,-0.2 0.782 115.3 26.0 -66.1 -27.4 20.5 45.4 39.0 10 19 A I T <4 S+ 0 0 22 -3,-1.5 21,-2.7 -4,-0.4 22,-0.6 0.720 123.1 44.7-111.1 -37.1 19.2 41.8 39.6 11 20 A Y E < -B 30 0A 2 -4,-2.3 2,-0.8 19,-0.2 19,-0.2 -0.955 62.6-144.9-117.4 138.1 21.6 39.4 37.9 12 21 A D E -B 29 0A 59 17,-3.1 17,-2.0 -2,-0.4 2,-0.5 -0.856 25.5-147.8 -91.4 103.8 25.5 39.3 38.0 13 22 A F E +B 28 0A 54 -2,-0.8 15,-0.2 15,-0.2 3,-0.1 -0.607 29.6 160.8 -78.4 119.0 26.4 38.1 34.5 14 23 A R E + 0 0 108 13,-3.0 2,-0.2 -2,-0.5 14,-0.1 0.417 45.7 0.2-110.7-117.0 29.6 36.0 34.6 15 24 A D E - 0 0 94 1,-0.1 12,-3.2 11,-0.1 2,-0.3 -0.480 64.6-110.5 -90.8 151.5 30.7 33.5 31.9 16 25 A V E -B 26 0A 78 10,-0.2 10,-0.3 -2,-0.2 3,-0.1 -0.542 25.9-169.7 -63.8 124.5 29.2 32.4 28.6 17 26 A L E - 0 0 76 8,-3.4 2,-0.3 1,-0.4 9,-0.2 0.710 63.1 -41.0 -87.7 -27.8 28.1 28.8 29.1 18 27 A G E -B 25 0A 21 7,-1.4 7,-2.7 -3,-0.1 2,-0.4 -0.966 55.7-108.7 174.4 175.5 27.4 28.2 25.4 19 28 A T E -B 24 0A 112 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.986 19.6-159.6-135.7 133.6 26.0 29.7 22.2 20 29 A G E > -B 23 0A 35 3,-4.2 3,-0.8 -2,-0.4 -2,-0.0 -0.507 47.2 -80.0-102.9 176.3 22.9 29.0 20.1 21 30 A A T 3 S- 0 0 61 1,-0.3 441,-0.2 -2,-0.2 438,-0.1 0.885 124.1 -8.4 -40.6 -57.7 22.0 29.8 16.5 22 31 A F T 3 S+ 0 0 105 439,-0.1 21,-0.6 1,-0.0 -1,-0.3 -0.274 129.5 61.7-141.1 50.8 21.1 33.4 17.4 23 32 A S E < -BC 20 42A 23 -3,-0.8 -3,-4.2 19,-0.1 2,-0.3 -0.900 62.9-140.7-165.1 145.8 21.2 33.5 21.2 24 33 A E E -BC 19 41A 82 17,-1.0 17,-2.3 -5,-0.3 2,-0.5 -0.834 10.4-138.8-111.6 152.9 23.8 32.9 24.0 25 34 A V E -BC 18 40A 31 -7,-2.7 -8,-3.4 -2,-0.3 -7,-1.4 -0.925 23.4-165.2-109.5 127.2 23.4 31.2 27.4 26 35 A I E -BC 16 39A 12 13,-3.1 13,-3.6 -2,-0.5 2,-0.4 -0.920 21.3-129.3-124.9 132.4 25.1 32.9 30.4 27 36 A L E + C 0 38A 25 -12,-3.2 -13,-3.0 -2,-0.4 2,-0.3 -0.665 42.1 169.1 -70.2 125.2 26.0 31.8 33.9 28 37 A A E -BC 13 37A 0 9,-2.3 9,-2.7 -2,-0.4 2,-0.5 -0.914 33.9-129.6-136.3 160.5 24.8 34.4 36.3 29 38 A E E -BC 12 36A 35 -17,-2.0 -17,-3.1 -2,-0.3 2,-0.7 -0.969 24.6-127.7-109.9 127.6 24.3 34.9 40.0 30 39 A D E >> -B 11 0A 18 5,-3.3 4,-3.0 -2,-0.5 3,-0.5 -0.652 20.9-153.5 -64.1 111.6 20.9 36.1 41.2 31 40 A K T 34 S+ 0 0 116 -21,-2.7 -1,-0.2 -2,-0.7 -20,-0.1 0.853 88.6 56.4 -64.0 -30.5 22.1 39.1 43.3 32 41 A R T 34 S+ 0 0 124 -22,-0.6 -1,-0.2 1,-0.2 -21,-0.1 0.839 126.5 13.7 -66.7 -38.9 19.0 38.8 45.5 33 42 A T T <4 S- 0 0 82 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.541 92.8-124.2-118.6 -14.4 19.4 35.2 46.6 34 43 A Q < + 0 0 150 -4,-3.0 2,-0.3 1,-0.3 -3,-0.1 0.553 61.1 146.9 70.4 11.9 23.1 34.4 45.6 35 44 A K - 0 0 129 -5,-0.4 -5,-3.3 -6,-0.1 2,-0.3 -0.607 48.9-126.5 -77.6 134.9 21.7 31.4 43.5 36 45 A L E +C 29 0A 77 -2,-0.3 43,-0.5 -7,-0.2 2,-0.3 -0.660 37.7 169.3 -82.9 135.5 23.5 30.5 40.3 37 46 A V E -C 28 0A 5 -9,-2.7 -9,-2.3 -2,-0.3 2,-0.5 -0.821 35.3-118.0-134.2 171.6 21.3 30.4 37.2 38 47 A A E -CD 27 77A 6 39,-2.5 39,-3.9 -2,-0.3 2,-0.5 -0.984 29.0-156.7-115.3 126.7 21.7 30.1 33.5 39 48 A I E -CD 26 76A 0 -13,-3.6 -13,-3.1 -2,-0.5 2,-0.6 -0.921 5.9-151.0-111.7 125.3 20.3 33.1 31.5 40 49 A K E -CD 25 75A 55 35,-2.7 35,-2.5 -2,-0.5 2,-0.8 -0.853 10.3-157.1 -95.0 118.2 19.2 32.9 27.9 41 50 A C E -CD 24 74A 16 -17,-2.3 -17,-1.0 -2,-0.6 2,-0.5 -0.855 14.8-178.2-101.4 101.8 19.6 36.2 26.2 42 51 A I E -CD 23 73A 52 31,-2.7 31,-2.8 -2,-0.8 -19,-0.1 -0.900 23.8-129.3-107.1 124.3 17.3 36.3 23.2 43 52 A A E - D 0 72A 45 -21,-0.6 2,-0.4 -2,-0.5 29,-0.2 -0.301 25.9-115.0 -60.6 153.3 17.3 39.4 20.9 44 53 A K 0 0 115 27,-1.4 -1,-0.1 26,-0.1 28,-0.1 -0.068 360.0 360.0 -81.9 37.5 13.8 40.8 20.2 45 54 A E 0 0 120 -2,-0.4 -2,-0.1 0, 0.0 420,-0.0 -0.874 360.0 360.0-127.0 360.0 14.2 39.9 16.5 46 ! 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 47 65 A N >> 0 0 133 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -16.9 1.3 33.0 24.7 48 66 A E H 3> + 0 0 66 1,-0.3 4,-1.6 2,-0.2 3,-0.4 0.703 360.0 67.7 -69.5 -24.7 3.8 30.1 24.9 49 67 A I H 3> S+ 0 0 42 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.720 93.5 60.6 -68.9 -21.9 5.8 31.4 27.8 50 68 A A H <4 S+ 0 0 81 -3,-1.2 4,-0.5 2,-0.2 -1,-0.2 0.846 107.6 45.1 -68.1 -35.9 2.8 30.9 30.1 51 69 A V H >X S+ 0 0 57 -4,-0.6 3,-1.0 -3,-0.4 4,-0.9 0.837 102.0 67.4 -72.9 -36.1 3.0 27.2 29.2 52 70 A L H 3< S+ 0 0 38 -4,-1.6 11,-0.5 1,-0.3 3,-0.2 0.762 96.7 53.7 -61.6 -28.5 6.8 27.2 29.7 53 71 A H T 3< S+ 0 0 131 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.753 100.3 60.6 -76.5 -27.8 6.4 27.8 33.5 54 72 A K T <4 S+ 0 0 63 -3,-1.0 2,-0.6 -4,-0.5 -2,-0.2 0.737 79.9 103.8 -68.4 -23.4 4.0 24.7 33.8 55 73 A I < + 0 0 14 -4,-0.9 8,-0.4 -3,-0.2 2,-0.3 -0.493 41.5 157.4 -66.3 108.6 6.9 22.5 32.5 56 74 A K + 0 0 74 -2,-0.6 5,-0.1 6,-0.1 -1,-0.0 -0.842 10.8 134.7-137.6 102.2 8.3 20.6 35.6 57 75 A H > - 0 0 27 3,-0.4 3,-1.7 -2,-0.3 5,-0.1 -0.994 58.6-120.1-147.6 143.8 10.1 17.3 35.1 58 76 A P T 3 S+ 0 0 80 0, 0.0 4,-0.1 0, 0.0 81,-0.1 0.705 112.9 45.1 -60.1 -21.1 13.4 16.0 36.5 59 77 A N T 3 S+ 0 0 12 47,-0.1 83,-2.5 82,-0.1 2,-0.4 0.066 99.8 81.2-110.2 17.6 15.0 15.7 33.0 60 78 A I B < S-f 142 0B 7 -3,-1.7 2,-0.4 81,-0.2 -3,-0.4 -0.994 86.1-114.4-126.1 133.9 14.0 19.0 31.7 61 79 A V - 0 0 14 81,-2.4 2,-0.2 -2,-0.4 -2,-0.1 -0.534 38.8-128.9 -64.3 118.5 15.7 22.3 32.4 62 80 A A - 0 0 27 -2,-0.4 16,-2.8 -4,-0.1 2,-0.6 -0.454 6.5-134.3 -71.6 134.7 13.2 24.3 34.5 63 81 A L E - E 0 77A 26 -11,-0.5 14,-0.2 -8,-0.4 3,-0.1 -0.857 25.2-179.6 -87.8 122.5 12.4 27.9 33.4 64 82 A D E - 0 0 66 12,-2.8 2,-0.3 -2,-0.6 13,-0.2 0.615 54.8 -19.4-102.0 -18.6 12.5 29.8 36.6 65 83 A D E - E 0 76A 57 11,-1.4 11,-3.0 2,-0.0 2,-0.4 -0.963 46.9-135.0-179.2 161.9 11.7 33.3 35.4 66 84 A I E + E 0 75A 15 -2,-0.3 -64,-1.6 9,-0.2 2,-0.3 -0.996 19.3 173.9-131.7 135.9 11.4 35.8 32.6 67 85 A Y E -aE 2 74A 6 7,-2.3 7,-3.1 -2,-0.4 2,-0.4 -0.975 15.1-151.9-133.6 151.7 12.5 39.4 32.6 68 86 A E E -aE 3 73A 36 -66,-0.9 -64,-2.3 -2,-0.3 2,-0.2 -0.973 9.8-174.0-129.9 138.3 12.5 41.8 29.6 69 87 A S - 0 0 21 3,-2.7 -64,-0.1 -2,-0.4 -63,-0.1 -0.664 45.8 -95.1-115.3 176.4 14.6 44.7 28.7 70 88 A G S S+ 0 0 76 -65,-0.3 -26,-0.1 -66,-0.2 3,-0.1 0.827 124.3 30.8 -61.4 -34.5 14.2 47.2 25.8 71 89 A G S S+ 0 0 41 1,-0.1 -27,-1.4 -28,-0.1 2,-0.3 0.769 123.6 14.0 -92.1 -30.1 16.7 45.2 23.7 72 90 A H E -D 43 0A 65 -29,-0.2 -3,-2.7 -28,-0.1 2,-0.4 -0.863 59.7-115.2-143.2 167.2 16.3 41.6 24.8 73 91 A L E -DE 42 68A 53 -31,-2.8 -31,-2.7 -2,-0.3 2,-0.6 -0.964 25.6-155.2-107.4 133.4 14.4 38.8 26.6 74 92 A Y E -DE 41 67A 29 -7,-3.1 -7,-2.3 -2,-0.4 2,-0.7 -0.929 5.1-166.7-111.1 109.4 16.1 37.2 29.6 75 93 A L E -DE 40 66A 36 -35,-2.5 -35,-2.7 -2,-0.6 2,-0.7 -0.887 13.8-147.5 -97.0 114.5 14.9 33.7 30.3 76 94 A I E -DE 39 65A 2 -11,-3.0 -12,-2.8 -2,-0.7 -11,-1.4 -0.771 26.3-173.3 -89.7 114.7 16.2 32.7 33.7 77 95 A M E -DE 38 63A 22 -39,-3.9 -39,-2.5 -2,-0.7 -14,-0.2 -0.708 33.8 -93.9-113.5 153.3 16.9 29.0 33.6 78 96 A Q - 0 0 49 -16,-2.8 2,-0.4 -2,-0.3 -41,-0.1 -0.429 51.6-119.7 -56.6 130.5 17.9 26.2 36.0 79 97 A L - 0 0 43 -43,-0.5 2,-0.4 -2,-0.1 -1,-0.1 -0.665 25.2-161.5 -82.3 133.5 21.7 26.0 35.8 80 98 A V - 0 0 20 -2,-0.4 3,-0.2 1,-0.1 53,-0.2 -0.930 7.2-174.1-112.6 133.7 23.1 22.7 34.7 81 99 A S + 0 0 73 51,-2.1 52,-0.2 -2,-0.4 51,-0.2 0.289 59.5 83.8-116.2 15.2 26.8 22.1 35.4 82 100 A G S S- 0 0 5 49,-2.0 50,-0.2 51,-0.2 51,-0.1 0.513 82.8-129.5-101.6 -3.6 27.7 18.8 33.8 83 101 A G - 0 0 41 48,-0.4 48,-2.6 -3,-0.2 -1,-0.2 -0.056 43.5 -30.6 80.7 177.3 28.5 19.8 30.2 84 102 A E B > -G 130 0B 89 46,-0.2 4,-1.6 1,-0.1 46,-0.2 -0.145 52.2-120.4 -75.6 158.8 27.4 18.6 26.9 85 103 A L H > S+ 0 0 2 44,-1.3 4,-2.2 41,-0.6 5,-0.1 0.932 109.1 46.6 -67.3 -48.9 26.4 15.0 26.1 86 104 A F H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.843 109.2 56.4 -64.3 -39.9 29.0 14.3 23.3 87 105 A D H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.881 108.2 46.3 -56.3 -48.6 31.8 15.8 25.4 88 106 A R H X S+ 0 0 32 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.951 112.1 51.4 -63.1 -44.9 31.1 13.4 28.3 89 107 A I H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.892 113.3 44.6 -58.6 -41.6 30.9 10.4 25.9 90 108 A V H < S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.920 119.0 42.0 -63.9 -48.2 34.2 11.3 24.3 91 109 A E H < S+ 0 0 146 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.736 93.4 105.3 -77.0 -22.9 35.9 12.0 27.7 92 110 A K < - 0 0 43 -4,-2.8 3,-0.1 -5,-0.2 165,-0.1 -0.256 65.0-144.3 -57.2 140.3 34.3 8.9 29.4 93 111 A G S S+ 0 0 68 1,-0.2 2,-0.4 160,-0.0 -1,-0.1 0.815 82.4 23.4 -77.4 -30.5 36.6 5.9 29.9 94 112 A F - 0 0 117 159,-0.1 2,-0.4 158,-0.1 -1,-0.2 -0.997 67.9-179.0-142.8 135.7 34.1 3.2 29.3 95 113 A Y - 0 0 0 -2,-0.4 157,-3.1 -3,-0.1 158,-0.7 -0.987 3.9-179.7-145.2 130.1 30.9 3.3 27.3 96 114 A T B > -I 251 0C 3 -2,-0.4 4,-2.4 155,-0.2 3,-0.5 -0.860 44.7-109.3-128.9 164.7 28.2 0.8 26.5 97 115 A E H > S+ 0 0 2 153,-0.5 4,-2.5 -2,-0.3 152,-0.2 0.898 120.7 58.1 -47.9 -43.3 24.9 0.2 24.7 98 116 A R H > S+ 0 0 74 150,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.844 102.7 50.8 -64.4 -37.1 23.4 0.1 28.2 99 117 A D H > S+ 0 0 40 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.946 110.6 51.0 -60.6 -47.0 24.6 3.6 28.9 100 118 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.937 109.8 50.0 -53.4 -46.9 23.1 4.7 25.6 101 119 A S H X S+ 0 0 10 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.914 107.8 52.3 -59.5 -47.5 19.8 3.1 26.6 102 120 A R H X S+ 0 0 128 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.911 111.8 46.7 -57.4 -44.2 19.7 4.8 30.0 103 121 A L H X S+ 0 0 10 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.916 112.3 50.3 -60.3 -47.9 20.2 8.2 28.3 104 122 A I H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.880 105.5 57.5 -59.8 -38.3 17.5 7.5 25.7 105 123 A F H X S+ 0 0 93 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.892 107.6 47.3 -55.3 -46.3 15.1 6.4 28.5 106 124 A Q H X S+ 0 0 31 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.905 112.1 48.7 -67.1 -40.8 15.5 9.8 30.1 107 125 A V H X S+ 0 0 3 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.918 112.6 48.4 -65.2 -45.9 14.9 11.7 26.8 108 126 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.983 111.4 50.7 -56.0 -52.4 11.8 9.6 26.0 109 127 A D H X S+ 0 0 53 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.900 114.7 43.1 -50.3 -50.3 10.4 10.2 29.6 110 128 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.894 113.8 50.8 -66.2 -42.0 11.0 13.9 29.2 111 129 A V H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.902 109.5 49.0 -66.3 -37.3 9.6 14.1 25.7 112 130 A K H X S+ 0 0 59 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.871 108.6 55.3 -67.4 -37.1 6.4 12.2 26.5 113 131 A Y H X S+ 0 0 58 -4,-1.7 4,-0.8 -5,-0.3 -1,-0.2 0.916 109.7 46.0 -64.0 -41.3 5.9 14.5 29.4 114 132 A L H ><>S+ 0 0 2 -4,-2.1 5,-3.3 1,-0.2 3,-0.8 0.909 108.8 54.7 -64.6 -44.4 6.1 17.4 27.0 115 133 A H H ><5S+ 0 0 22 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.864 104.2 56.2 -56.4 -35.7 3.8 15.8 24.5 116 134 A D H 3<5S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.757 107.2 48.6 -68.2 -22.4 1.2 15.4 27.4 117 135 A L T <<5S- 0 0 63 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.422 123.7-110.3 -89.6 -2.5 1.4 19.2 27.9 118 136 A G T < 5S+ 0 0 61 -3,-1.0 2,-0.5 -4,-0.3 -3,-0.2 0.683 72.4 141.5 80.1 17.7 1.0 19.6 24.1 119 137 A I < - 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0 0 3 -2,-0.6 4,-1.6 13,-0.2 3,-0.4 -0.134 20.2-117.1 -51.7 148.4 11.4 34.2 -1.7 424 187 B P H > S+ 0 0 6 0, 0.0 4,-2.6 0, 0.0 6,-0.2 0.802 110.9 60.8 -59.1 -35.6 10.4 34.9 2.0 425 188 B E H 4>S+ 0 0 11 2,-0.2 5,-3.0 1,-0.2 7,-0.1 0.913 105.9 48.6 -59.2 -39.6 6.9 33.5 1.6 426 189 B V H >45S+ 0 0 7 -3,-0.4 3,-1.7 3,-0.2 -1,-0.2 0.935 111.2 47.5 -69.5 -46.9 8.3 30.2 0.7 427 190 B L H 3<5S+ 0 0 31 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.923 112.6 50.3 -54.0 -49.2 10.8 30.1 3.6 428 191 B A T 3<5S- 0 0 49 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.313 109.9-128.5 -71.0 6.9 7.9 31.2 5.9 429 192 B Q T < 5 + 0 0 97 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.851 61.6 145.0 41.5 41.8 5.9 28.3 4.4 430 193 B K < - 0 0 141 -5,-3.0 2,-0.4 -6,-0.2 -1,-0.1 -0.236 64.3 -67.3 -91.5-179.2 3.2 30.9 3.8 431 194 B P - 0 0 109 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.656 65.0-173.5 -71.5 134.8 0.9 31.0 0.8 432 195 B Y - 0 0 114 -2,-0.4 2,-0.2 -3,-0.1 0, 0.0 -0.687 12.4-176.1-124.2 178.3 3.0 31.7 -2.3 433 196 B S > - 0 0 56 -2,-0.2 3,-2.2 0, 0.0 4,-0.3 -0.861 56.1 -62.4-155.4-179.6 2.5 32.5 -6.0 434 197 B K T >> S+ 0 0 82 1,-0.3 3,-2.6 -2,-0.2 4,-0.6 0.814 116.7 84.0 -42.5 -28.4 4.2 33.1 -9.4 435 198 B A H 3> S+ 0 0 17 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.661 70.7 73.1 -57.8 -24.2 5.6 36.1 -7.4 436 199 B V H <> S+ 0 0 4 -3,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.817 92.8 56.2 -55.2 -33.6 8.4 34.0 -5.9 437 200 B D H <> S+ 0 0 0 -3,-2.6 4,-2.1 -4,-0.3 -1,-0.2 0.890 101.5 54.9 -70.1 -37.6 10.1 34.0 -9.3 438 201 B C H X S+ 0 0 3 -4,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.849 105.9 53.8 -65.3 -35.6 10.1 37.8 -9.4 439 202 B W H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 3,-0.3 0.955 107.0 49.8 -58.2 -51.8 12.0 37.8 -6.1 440 203 B S H X S+ 0 0 4 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.871 107.8 55.0 -57.2 -38.5 14.6 35.4 -7.5 441 204 B I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.875 106.1 51.4 -63.9 -40.4 15.1 37.7 -10.5 442 205 B G H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.888 109.5 49.8 -60.9 -40.9 15.7 40.6 -8.2 443 206 B V H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.943 111.4 48.8 -66.2 -43.2 18.3 38.6 -6.3 444 207 B I H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.907 110.6 51.2 -57.2 -44.8 20.0 37.7 -9.6 445 208 B A H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.850 107.0 53.7 -64.0 -40.0 19.9 41.4 -10.7 446 209 B Y H >X S+ 0 0 2 -4,-2.2 4,-0.8 2,-0.2 3,-0.6 0.858 111.2 45.4 -54.9 -47.4 21.6 42.4 -7.4 447 210 B I H >X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 3,-0.8 0.888 106.0 60.2 -66.4 -41.1 24.4 39.9 -8.0 448 211 B L H 3< S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.637 108.9 45.6 -62.3 -13.7 24.8 41.0 -11.6 449 212 B L H <4 S+ 0 0 1 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.606 130.4 13.4-108.3 -15.2 25.6 44.5 -10.4 450 213 B C H << S- 0 0 2 -3,-0.8 80,-0.2 -4,-0.8 -2,-0.2 0.519 92.7-118.5-134.8 -18.6 28.1 44.0 -7.6 451 214 B G S < S+ 0 0 0 -4,-2.6 83,-0.3 -5,-0.3 -4,-0.1 0.462 82.5 86.8 90.6 2.0 29.3 40.3 -7.8 452 215 B Y S S- 0 0 23 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.2 -0.984 81.0-102.7-135.2 151.8 28.0 39.3 -4.4 453 216 B P - 0 0 22 0, 0.0 -9,-0.1 0, 0.0 -33,-0.1 -0.311 25.1-129.8 -68.5 146.6 24.7 37.9 -3.0 454 217 B P S S+ 0 0 16 0, 0.0 2,-0.4 0, 0.0 19,-0.3 0.739 96.7 42.4 -72.5 -18.5 22.5 40.3 -1.1 455 218 B F S S+ 0 0 3 -36,-0.2 2,-0.3 17,-0.1 17,-0.1 -0.995 71.8 147.6-129.9 125.4 22.2 37.9 1.8 456 219 B Y + 0 0 58 -2,-0.4 2,-0.3 6,-0.1 3,-0.1 -0.969 6.9 155.4-157.5 141.3 25.1 35.9 3.2 457 220 B D - 0 0 64 -2,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.898 45.4-125.7-165.2 142.1 26.4 34.5 6.5 458 221 B E S S+ 0 0 106 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 0.861 102.6 68.8 -50.6 -40.1 28.6 31.7 7.8 459 222 B N S > S- 0 0 59 1,-0.2 4,-1.6 -3,-0.1 3,-0.3 -0.764 72.9-156.7 -89.7 110.2 25.7 30.5 9.9 460 223 B D H > S+ 0 0 75 -2,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.772 91.2 60.0 -49.9 -32.6 22.9 29.1 7.8 461 224 B A H > S+ 0 0 30 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.965 105.4 42.9 -65.6 -54.3 20.4 29.9 10.6 462 225 B K H > S+ 0 0 104 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.766 108.0 63.6 -65.8 -25.6 21.0 33.7 10.7 463 226 B L H X S+ 0 0 9 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.950 100.6 50.2 -59.7 -52.0 20.9 33.8 6.9 464 227 B F H X S+ 0 0 40 -4,-1.6 4,-2.9 -3,-0.2 -2,-0.2 0.891 109.2 53.6 -52.3 -41.9 17.3 32.6 6.9 465 228 B E H X S+ 0 0 65 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.916 108.1 47.8 -61.1 -47.4 16.6 35.4 9.3 466 229 B Q H <>S+ 0 0 42 -4,-2.2 5,-2.3 2,-0.2 4,-0.4 0.901 115.0 47.6 -59.2 -41.4 18.1 38.1 7.1 467 230 B I H ><5S+ 0 0 0 -4,-2.4 3,-1.3 3,-0.2 -2,-0.2 0.947 109.2 51.1 -66.9 -49.1 16.2 36.7 4.1 468 231 B L H 3<5S+ 0 0 57 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.770 115.5 42.3 -62.7 -29.8 12.8 36.4 5.9 469 232 B K T 3<5S- 0 0 57 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.469 106.5-133.2 -92.4 -4.5 13.0 40.0 7.0 470 233 B A T < 5 + 0 0 16 -3,-1.3 2,-0.7 -4,-0.4 -3,-0.2 0.876 43.6 166.7 50.8 46.9 14.4 41.0 3.6 471 234 B E < + 0 0 145 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.828 13.5 122.3 -97.3 114.6 17.2 43.0 5.1 472 235 B Y - 0 0 49 -2,-0.7 2,-0.3 -17,-0.1 -17,-0.1 -0.927 35.9-151.5-152.1 172.6 19.9 44.0 2.7 473 236 B E - 0 0 104 -2,-0.3 2,-1.1 -19,-0.3 -2,-0.0 -0.978 31.3-115.7-147.7 167.7 21.6 47.2 1.3 474 237 B F - 0 0 7 -2,-0.3 5,-0.1 5,-0.0 13,-0.0 -0.641 55.5-165.2 -92.5 68.7 23.5 48.6 -1.7 475 238 B D > - 0 0 59 -2,-1.1 4,-1.8 1,-0.1 5,-0.2 -0.120 16.9 -71.2 -63.1 152.7 26.6 48.9 0.5 476 239 B S T 4 S+ 0 0 80 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 -0.525 99.6 12.7 -84.3 158.5 29.6 51.0 -0.5 477 240 B P T >4 S+ 0 0 84 0, 0.0 3,-0.8 0, 0.0 4,-0.4 -0.976 122.2 55.8 -88.6 4.3 31.9 51.2 -2.3 478 241 B Y T 34 S+ 0 0 81 1,-0.3 3,-0.3 2,-0.1 -2,-0.2 0.836 114.8 38.8 -68.1 -32.5 30.5 48.5 -4.6 479 242 B W T >< S+ 0 0 1 -4,-1.8 3,-1.3 1,-0.2 -1,-0.3 0.463 87.5 99.4 -97.6 -0.3 27.2 50.2 -5.2 480 243 B D T < S+ 0 0 90 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.878 88.0 39.3 -53.7 -46.6 28.6 53.7 -5.4 481 244 B D T 3 S+ 0 0 109 -4,-0.4 2,-0.3 -3,-0.3 -1,-0.3 0.394 91.3 107.5 -89.7 1.6 28.6 53.9 -9.3 482 245 B I S < S- 0 0 9 -3,-1.3 5,-0.0 1,-0.1 36,-0.0 -0.633 77.6-106.8 -81.4 135.6 25.3 52.0 -9.8 483 246 B S > - 0 0 16 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.257 15.9-127.2 -57.7 144.6 22.4 54.2 -11.0 484 247 B D H > S+ 0 0 132 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.830 112.4 62.6 -54.0 -36.7 19.5 54.9 -8.5 485 248 B S H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 27,-0.2 0.930 102.2 48.9 -60.7 -44.3 17.2 53.6 -11.2 486 249 B A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 112.7 48.0 -57.4 -44.1 18.9 50.1 -10.9 487 250 B K H X S+ 0 0 30 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.899 111.9 48.6 -67.4 -38.7 18.6 50.3 -7.2 488 251 B D H X S+ 0 0 60 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.864 110.5 52.8 -64.5 -39.8 14.9 51.3 -7.4 489 252 B F H X S+ 0 0 0 -4,-2.4 4,-1.1 -5,-0.2 3,-0.3 0.958 113.0 43.1 -60.9 -48.3 14.4 48.4 -9.9 490 253 B I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 3,-0.4 0.859 107.2 59.8 -69.6 -36.5 15.9 46.0 -7.5 491 254 B R H < S+ 0 0 108 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.887 105.1 51.8 -56.2 -37.7 14.0 47.4 -4.5 492 255 B H H < S+ 0 0 63 -4,-1.6 10,-2.6 -3,-0.3 3,-0.3 0.778 115.1 39.2 -73.6 -27.4 10.8 46.6 -6.3 493 256 B L H < S+ 0 0 0 -4,-1.1 2,-2.2 -3,-0.4 -2,-0.2 0.915 110.9 56.8 -85.6 -49.2 11.7 42.9 -7.0 494 257 B M S < S+ 0 0 5 -4,-2.7 2,-0.5 -52,-0.1 -1,-0.2 -0.462 79.5 143.0 -79.6 64.3 13.4 42.2 -3.7 495 258 B E - 0 0 55 -2,-2.2 6,-0.2 -3,-0.3 -25,-0.1 -0.943 50.5-143.0-110.5 129.8 10.2 43.2 -1.8 496 259 B K S S+ 0 0 119 -2,-0.5 -71,-0.2 -26,-0.2 -1,-0.1 0.852 87.3 63.2 -57.9 -42.0 9.4 41.2 1.3 497 260 B D S >> S- 0 0 57 1,-0.1 4,-1.2 -73,-0.1 3,-0.6 -0.806 72.7-152.4 -97.7 115.0 5.6 41.4 0.7 498 261 B P T 34 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.772 95.8 55.9 -58.7 -32.3 4.5 39.5 -2.5 499 262 B E T 34 S+ 0 0 93 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.907 113.8 41.3 -67.0 -36.4 1.4 41.7 -3.0 500 263 B K T <4 S+ 0 0 148 -3,-0.6 -1,-0.2 2,-0.1 2,-0.2 0.638 96.3 106.4 -81.6 -16.0 3.7 44.8 -2.9 501 264 B R S < S- 0 0 9 -4,-1.2 -8,-0.2 -6,-0.2 -9,-0.1 -0.451 80.8-103.3 -68.7 130.6 6.4 43.1 -5.1 502 265 B F - 0 0 40 -10,-2.6 2,-0.2 -2,-0.2 -1,-0.1 -0.170 36.7-131.4 -44.1 138.8 6.8 44.1 -8.7 503 266 B T > - 0 0 23 1,-0.1 4,-3.3 -3,-0.1 5,-0.3 -0.478 24.3-103.8 -87.3 167.3 5.3 41.7 -11.2 504 267 B C H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.946 125.5 47.6 -53.9 -50.0 7.1 40.3 -14.3 505 268 B E H > S+ 0 0 71 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.934 113.8 47.4 -57.9 -46.9 5.0 42.7 -16.4 506 269 B Q H >> S+ 0 0 94 2,-0.2 3,-1.3 1,-0.2 4,-0.8 0.922 110.9 49.6 -60.7 -48.0 5.8 45.6 -14.1 507 270 B A H >< S+ 0 0 0 -4,-3.3 3,-0.9 1,-0.3 6,-0.3 0.900 107.0 58.1 -59.8 -38.3 9.5 44.9 -14.0 508 271 B L H 3< S+ 0 0 35 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.700 108.1 45.6 -60.4 -22.5 9.4 44.7 -17.8 509 272 B Q H << S+ 0 0 152 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.509 85.3 117.6-101.3 -7.7 8.0 48.3 -17.9 510 273 B H S XX>S- 0 0 11 -3,-0.9 4,-3.1 -4,-0.8 3,-1.4 -0.339 75.3-121.4 -60.8 141.1 10.5 49.6 -15.5 511 274 B P H 3>5S+ 0 0 62 0, 0.0 6,-1.0 0, 0.0 4,-0.8 0.799 111.1 62.9 -50.8 -36.6 12.8 52.3 -17.0 512 275 B W H 345S+ 0 0 1 -27,-0.2 6,-0.2 5,-0.2 -26,-0.1 0.833 120.3 24.9 -63.3 -24.6 15.9 50.3 -16.1 513 276 B I H <45S+ 0 0 18 -3,-1.4 -1,-0.1 -6,-0.3 -5,-0.1 0.863 136.7 26.4-100.8 -58.2 14.6 47.6 -18.5 514 277 B A H <5S+ 0 0 73 -4,-3.1 -2,-0.1 -7,-0.3 -4,-0.1 0.666 122.9 47.0 -87.9 -16.0 12.2 49.3 -21.0 515 278 B G S < + 0 0 21 -167,-3.5 4,-1.8 -2,-0.6 5,-0.2 0.159 38.3 114.3-112.9 14.1 31.9 48.0 -13.8 524 287 B H H > + 0 0 29 -168,-0.7 4,-3.2 1,-0.2 5,-0.4 0.908 67.5 57.2 -47.4 -50.4 33.6 44.8 -14.9 525 288 B Q H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 111.2 37.6 -55.2 -58.9 36.6 44.9 -12.5 526 289 B S H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 119.0 49.3 -63.1 -39.6 34.8 45.1 -9.2 527 290 B V H X S+ 0 0 2 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.947 112.3 46.4 -66.7 -48.4 32.0 42.7 -10.2 528 291 B S H X S+ 0 0 9 -4,-3.2 4,-2.3 -5,-0.2 -1,-0.2 0.912 111.6 53.6 -54.9 -46.4 34.4 40.0 -11.6 529 292 B E H X S+ 0 0 80 -4,-2.2 4,-1.4 -5,-0.4 -1,-0.2 0.900 112.2 43.6 -55.5 -47.4 36.6 40.4 -8.4 530 293 B Q H X S+ 0 0 10 -4,-2.1 4,-1.8 -80,-0.2 -2,-0.2 0.873 108.5 56.7 -71.8 -37.3 33.6 39.8 -6.2 531 294 B I H X S+ 0 0 8 -4,-2.7 4,-2.1 1,-0.2 3,-0.2 0.938 106.6 51.0 -59.2 -46.9 32.2 36.9 -8.2 532 295 B K H < S+ 0 0 140 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.883 114.5 44.4 -54.9 -41.6 35.5 35.1 -7.8 533 296 B K H < S+ 0 0 135 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.758 122.0 35.6 -74.3 -26.9 35.4 35.7 -4.0 534 297 B N H < S+ 0 0 66 -4,-1.8 -2,-0.2 -83,-0.3 -3,-0.2 0.617 118.1 40.2-108.2 -12.1 31.7 34.7 -3.5 535 298 B F < 0 0 52 -4,-2.1 -1,-0.1 -5,-0.2 -2,-0.1 -0.144 360.0 360.0-135.3 42.5 30.9 31.9 -5.9 536 299 B A 0 0 140 -3,-0.2 -1,-0.1 -4,-0.1 -2,-0.1 0.989 360.0 360.0 -68.5 360.0 33.8 29.5 -6.0