==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-APR-12 4EK2 . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 282 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 15.6 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 4 0 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 0 2 0 0 1 2 1 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 0 0 0 1 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 0 A S 0 0 138 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 130.9 -32.5 26.6 -22.3 2 1 A M - 0 0 115 1,-0.1 3,-0.1 3,-0.0 79,-0.0 -0.804 360.0 -60.3-130.9-180.0 -31.9 23.5 -20.1 3 2 A A - 0 0 64 -2,-0.3 79,-2.6 78,-0.1 2,-0.4 -0.265 47.4-119.4 -63.5 137.8 -32.8 22.3 -16.7 4 3 A L E -A 81 0A 117 77,-0.2 2,-0.3 78,-0.1 77,-0.2 -0.696 45.6-177.2 -73.0 125.4 -31.6 24.2 -13.7 5 4 A E E -A 80 0A 47 75,-2.5 75,-2.1 -2,-0.4 2,-0.4 -0.899 24.7-144.0-127.5 155.4 -29.5 21.7 -11.9 6 5 A R E -A 79 0A 69 -2,-0.3 2,-0.3 73,-0.2 73,-0.2 -0.968 21.3-178.0-114.4 141.0 -27.5 21.6 -8.7 7 6 A T E -A 78 0A 0 71,-2.2 71,-2.8 -2,-0.4 2,-0.5 -0.969 26.5-117.3-134.4 156.0 -24.2 19.7 -8.4 8 7 A L E -A 77 0A 0 -2,-0.3 112,-1.5 69,-0.2 2,-0.4 -0.823 31.4-175.5 -97.4 123.7 -21.7 19.0 -5.6 9 8 A S E -AB 76 119A 0 67,-2.9 67,-2.7 -2,-0.5 2,-0.4 -0.920 6.8-168.8-116.3 141.7 -18.2 20.4 -6.0 10 9 A I E -AB 75 118A 0 108,-1.8 108,-2.4 -2,-0.4 2,-0.7 -0.998 16.1-148.7-131.9 129.6 -15.1 20.0 -3.8 11 10 A I E -AB 74 117A 0 63,-3.4 63,-1.8 -2,-0.4 106,-0.2 -0.899 35.4-133.2 -90.1 114.2 -11.9 21.9 -4.0 12 11 A K > - 0 0 9 104,-2.2 4,-2.2 -2,-0.7 3,-0.5 -0.050 21.5 -96.8 -75.1 168.5 -9.4 19.2 -2.8 13 12 A P H > S+ 0 0 7 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.855 120.0 58.4 -61.2 -31.0 -6.7 19.7 -0.2 14 13 A D H > S+ 0 0 18 1,-0.2 4,-1.2 2,-0.2 100,-0.1 0.924 111.1 40.8 -56.1 -47.5 -4.0 20.3 -2.9 15 14 A A H 4>S+ 0 0 0 -3,-0.5 5,-1.4 2,-0.2 4,-0.3 0.826 111.5 54.8 -79.5 -32.6 -5.8 23.3 -4.4 16 15 A V H ><5S+ 0 0 1 -4,-2.2 3,-2.0 56,-0.2 5,-0.2 0.950 108.7 50.7 -59.3 -47.6 -6.9 24.7 -1.0 17 16 A A H 3<5S+ 0 0 64 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.810 103.9 59.5 -61.5 -29.7 -3.1 24.7 0.0 18 17 A K T 3<5S- 0 0 74 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.601 107.1-130.0 -73.8 -8.7 -2.4 26.5 -3.2 19 18 A N T < 5S+ 0 0 39 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.923 70.9 125.0 55.6 47.2 -4.7 29.4 -2.1 20 19 A V >< + 0 0 14 -5,-1.4 4,-2.3 2,-0.1 5,-0.2 0.021 24.2 115.8-121.3 27.7 -6.6 29.3 -5.4 21 20 A I H > S+ 0 0 0 -5,-0.2 4,-2.9 1,-0.2 5,-0.2 0.939 79.7 50.0 -58.9 -47.8 -10.1 28.9 -4.0 22 21 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.903 108.8 51.0 -56.2 -46.3 -11.0 32.3 -5.4 23 22 A Q H > S+ 0 0 72 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.918 113.4 44.8 -63.1 -41.0 -9.7 31.5 -8.9 24 23 A I H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 3,-0.2 0.930 110.6 53.7 -69.0 -45.3 -11.6 28.2 -9.0 25 24 A Y H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 3,-0.4 0.920 106.6 53.8 -53.3 -44.7 -14.8 29.9 -7.7 26 25 A S H X S+ 0 0 14 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.846 100.7 59.8 -64.6 -31.5 -14.5 32.5 -10.5 27 26 A R H X S+ 0 0 64 -4,-1.5 4,-0.7 -3,-0.2 -1,-0.2 0.925 111.9 40.2 -55.5 -44.7 -14.4 29.7 -13.0 28 27 A F H <>S+ 0 0 0 -4,-1.5 5,-2.4 -3,-0.4 3,-0.5 0.941 118.3 45.7 -69.2 -50.0 -17.8 28.6 -11.8 29 28 A E H ><5S+ 0 0 11 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.873 110.8 51.6 -67.7 -37.8 -19.3 32.1 -11.4 30 29 A N H 3<5S+ 0 0 123 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.707 105.1 57.9 -72.3 -18.4 -18.0 33.4 -14.7 31 30 A A T 3<5S- 0 0 31 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.348 127.2-101.0 -86.9 2.7 -19.6 30.4 -16.5 32 31 A G T < 5S+ 0 0 46 -3,-1.4 49,-0.3 1,-0.3 2,-0.3 0.641 80.2 132.6 85.4 17.6 -23.0 31.4 -15.0 33 32 A L < - 0 0 0 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.3 -0.729 45.2-142.6 -96.1 149.3 -23.1 29.0 -12.1 34 33 A K E -C 79 0A 66 45,-2.5 45,-2.6 -2,-0.3 2,-0.8 -0.949 12.7-125.9-117.2 136.9 -24.0 30.3 -8.6 35 34 A I E +C 78 0A 0 -2,-0.4 43,-0.2 43,-0.2 3,-0.1 -0.687 36.5 166.4 -75.5 110.1 -22.6 29.2 -5.3 36 35 A V E + 0 0 0 41,-2.6 104,-3.4 -2,-0.8 2,-0.3 0.547 65.3 16.3-110.8 -9.4 -25.7 28.3 -3.3 37 36 A A E +C 77 0A 0 40,-1.0 40,-2.1 102,-0.2 -1,-0.3 -0.937 68.8 166.4-152.1 149.6 -24.1 26.4 -0.4 38 37 A A E +C 76 0A 3 143,-0.3 143,-2.3 100,-0.3 2,-0.3 -0.975 6.1 162.1-160.0 145.7 -20.5 26.3 0.8 39 38 A R E -CD 75 180A 80 36,-2.3 36,-2.6 -2,-0.3 2,-0.5 -0.902 31.6-128.6-160.5 146.3 -18.4 25.2 3.7 40 39 A M E +C 74 0A 4 139,-2.5 139,-0.3 -2,-0.3 2,-0.3 -0.835 42.4 162.4 -88.3 133.4 -14.7 24.5 4.5 41 40 A A E -C 73 0A 8 32,-2.2 32,-2.9 -2,-0.5 2,-0.5 -0.907 40.8-135.5-144.5 163.9 -14.3 21.2 6.2 42 41 A H - 0 0 83 -2,-0.3 27,-0.1 30,-0.2 2,-0.1 -0.958 35.8-139.0-125.2 107.9 -11.7 18.5 7.0 43 42 A L - 0 0 14 -2,-0.5 2,-0.2 25,-0.4 28,-0.1 -0.361 7.7-127.2 -71.1 145.1 -13.2 15.2 6.3 44 43 A S > - 0 0 53 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.499 27.9-109.5 -77.5 158.2 -12.7 12.1 8.5 45 44 A R H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.941 121.1 51.2 -51.9 -49.9 -11.5 8.9 7.0 46 45 A A H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.918 109.5 48.6 -58.5 -44.3 -14.9 7.4 7.5 47 46 A D H > S+ 0 0 58 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.932 112.4 47.9 -65.5 -40.2 -16.7 10.3 5.7 48 47 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.896 111.6 51.7 -63.3 -41.4 -14.3 10.1 2.8 49 48 A E H < S+ 0 0 78 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.917 111.6 46.3 -61.2 -46.1 -14.8 6.3 2.6 50 49 A K H >< S+ 0 0 122 -4,-2.7 3,-2.5 1,-0.2 4,-0.2 0.976 111.3 51.9 -55.9 -56.4 -18.6 6.8 2.6 51 50 A F H 3< S+ 0 0 22 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.822 115.8 40.7 -54.1 -36.3 -18.4 9.5 -0.0 52 51 A Y T >< S+ 0 0 13 -4,-2.0 3,-2.4 1,-0.2 -1,-0.3 0.125 74.7 125.2-101.4 20.4 -16.3 7.2 -2.3 53 52 A A G X + 0 0 58 -3,-2.5 3,-2.5 1,-0.3 4,-0.3 0.824 64.8 67.0 -46.5 -40.2 -18.2 3.9 -1.7 54 53 A V G 3 S+ 0 0 125 -3,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.740 106.9 42.9 -56.8 -22.2 -18.8 3.4 -5.5 55 54 A H G X S+ 0 0 59 -3,-2.4 3,-1.5 -6,-0.2 -1,-0.3 0.163 80.8 115.4-105.2 19.3 -15.0 2.9 -5.7 56 55 A A T < S+ 0 0 59 -3,-2.5 -1,-0.1 1,-0.3 -2,-0.1 0.820 79.5 41.5 -64.2 -37.3 -14.7 0.7 -2.6 57 56 A E T 3 S+ 0 0 108 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.366 96.8 103.8 -90.3 3.8 -13.5 -2.4 -4.3 58 57 A R S X S- 0 0 136 -3,-1.5 3,-0.7 1,-0.1 4,-0.3 -0.454 75.9-125.8 -85.9 160.0 -11.1 -0.5 -6.7 59 58 A P T 3 S+ 0 0 121 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.647 107.6 54.0 -85.2 -14.2 -7.3 -0.4 -6.2 60 59 A F T 3> S+ 0 0 79 1,-0.1 4,-2.5 2,-0.1 5,-0.2 0.379 82.5 99.1 -91.8 3.4 -7.0 3.5 -6.1 61 60 A F H <> S+ 0 0 35 -3,-0.7 4,-2.6 -6,-0.2 5,-0.2 0.903 78.5 48.7 -55.8 -52.8 -9.6 3.6 -3.3 62 61 A K H > S+ 0 0 58 -4,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.910 113.8 48.5 -56.8 -45.0 -7.1 3.9 -0.4 63 62 A D H > S+ 0 0 85 -4,-0.3 4,-2.4 2,-0.2 5,-0.2 0.886 109.0 52.4 -61.9 -42.8 -5.3 6.7 -2.3 64 63 A L H X S+ 0 0 36 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.949 115.0 43.6 -56.5 -49.9 -8.6 8.6 -3.1 65 64 A V H X S+ 0 0 2 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.944 114.1 47.2 -63.2 -50.4 -9.5 8.4 0.7 66 65 A E H < S+ 0 0 95 -4,-3.2 4,-0.3 1,-0.2 3,-0.3 0.914 114.1 48.5 -64.5 -35.9 -6.0 9.4 2.0 67 66 A F H >< S+ 0 0 37 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.899 108.6 53.1 -68.9 -38.0 -5.7 12.3 -0.4 68 67 A M H 3< S+ 0 0 0 -4,-2.1 -25,-0.4 -5,-0.2 3,-0.3 0.748 114.9 41.7 -66.3 -25.3 -9.2 13.6 0.4 69 68 A I T 3< S+ 0 0 28 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.326 85.6 96.8-106.0 8.8 -8.5 13.7 4.1 70 69 A S S < S- 0 0 77 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.583 99.7 -17.3 -78.6 -10.5 -4.9 15.1 3.9 71 70 A G S S- 0 0 10 -3,-0.3 -28,-0.4 -4,-0.2 -57,-0.1 -0.966 93.5 -50.6-173.9 176.9 -6.0 18.6 4.6 72 71 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.305 49.1-157.6 -63.3 148.4 -9.0 20.9 4.6 73 72 A V E - C 0 41A 0 -32,-2.9 -32,-2.2 -57,-0.1 2,-0.5 -0.838 15.6-129.4-121.7 159.8 -11.3 21.1 1.6 74 73 A M E -AC 11 40A 0 -63,-1.8 -63,-3.4 -2,-0.3 2,-0.4 -0.969 28.5-167.5-112.9 119.9 -13.7 23.7 0.3 75 74 A I E +AC 10 39A 0 -36,-2.6 -36,-2.3 -2,-0.5 2,-0.3 -0.911 12.2 165.3-114.0 134.2 -17.1 22.1 -0.5 76 75 A Q E -AC 9 38A 0 -67,-2.7 -67,-2.9 -2,-0.4 2,-0.5 -0.998 34.9-129.2-149.1 155.0 -19.9 23.9 -2.4 77 76 A V E -AC 8 37A 0 -40,-2.1 -41,-2.6 -2,-0.3 -40,-1.0 -0.893 26.8-156.4 -99.2 128.3 -23.2 23.4 -4.3 78 77 A L E -AC 7 35A 0 -71,-2.8 -71,-2.2 -2,-0.5 2,-0.4 -0.927 9.3-168.1-107.4 130.1 -23.2 24.9 -7.7 79 78 A E E +AC 6 34A 16 -45,-2.6 -45,-2.5 -2,-0.5 2,-0.3 -0.945 29.1 92.3-124.0 139.8 -26.5 25.8 -9.3 80 79 A G E > S-A 5 0A 6 -75,-2.1 -75,-2.5 -2,-0.4 3,-1.7 -0.951 74.7 -37.5 166.2 175.9 -27.3 26.8 -12.9 81 80 A E E 3 S-A 4 0A 96 -49,-0.3 -77,-0.2 -2,-0.3 -78,-0.1 -0.454 127.3 -8.8 -58.6 124.9 -28.4 25.7 -16.3 82 81 A D T 3> S+ 0 0 48 -79,-2.6 4,-2.8 -2,-0.2 -1,-0.3 0.772 86.8 164.5 58.3 31.5 -26.9 22.3 -17.1 83 82 A A H <> + 0 0 0 -3,-1.7 4,-2.7 -80,-0.3 5,-0.3 0.785 63.9 56.4 -53.8 -40.5 -24.7 22.7 -13.9 84 83 A I H > S+ 0 0 14 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.970 116.5 33.7 -59.2 -56.9 -23.6 19.1 -13.7 85 84 A L H > S+ 0 0 37 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 117.1 56.3 -64.8 -42.2 -22.1 18.9 -17.2 86 85 A K H X S+ 0 0 68 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.929 107.7 47.3 -57.1 -48.3 -20.9 22.5 -17.1 87 86 A N H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.933 111.7 52.0 -59.4 -44.0 -19.0 21.9 -13.9 88 87 A R H X S+ 0 0 122 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.882 109.2 48.8 -63.4 -39.6 -17.5 18.8 -15.4 89 88 A D H < S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.879 112.3 49.4 -65.1 -38.1 -16.4 20.7 -18.6 90 89 A L H < S+ 0 0 42 -4,-2.2 14,-2.8 -5,-0.2 -2,-0.2 0.846 110.7 50.3 -67.2 -35.9 -14.8 23.4 -16.3 91 90 A M H < S- 0 0 3 -4,-2.3 14,-2.7 12,-0.2 15,-0.3 0.901 100.0-154.6 -69.0 -43.2 -13.0 20.8 -14.3 92 91 A G < - 0 0 14 -4,-2.0 -1,-0.1 -5,-0.2 7,-0.1 -0.265 40.1 -16.5 90.6 178.5 -11.5 19.1 -17.3 93 92 A A - 0 0 41 2,-0.2 6,-0.3 5,-0.1 5,-0.1 -0.166 64.2-116.2 -57.9 144.7 -10.4 15.5 -17.7 94 93 A T S S+ 0 0 84 1,-0.1 -1,-0.1 4,-0.1 3,-0.1 0.825 108.1 61.6 -48.9 -40.2 -9.8 13.4 -14.6 95 94 A D S >> S- 0 0 52 1,-0.1 3,-2.2 2,-0.0 4,-0.9 -0.851 78.3-152.0 -93.7 111.1 -6.2 13.1 -15.5 96 95 A P T 34 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.729 97.3 64.9 -53.0 -27.6 -4.7 16.7 -15.6 97 96 A K T 34 S+ 0 0 186 1,-0.2 -3,-0.1 -3,-0.1 9,-0.0 0.853 110.5 36.3 -57.8 -40.3 -2.3 15.3 -18.2 98 97 A K T <4 S+ 0 0 71 -3,-2.2 -1,-0.2 -5,-0.1 2,-0.2 0.519 93.4 115.4 -91.2 -8.7 -5.3 14.8 -20.5 99 98 A A S < S- 0 0 13 -4,-0.9 3,-0.1 -6,-0.3 -7,-0.1 -0.416 71.2-110.3 -72.7 133.9 -7.2 17.9 -19.4 100 99 A E > - 0 0 159 -2,-0.2 3,-1.7 1,-0.1 6,-0.4 -0.237 42.8 -90.6 -57.8 148.6 -7.8 20.7 -22.0 101 100 A K T 3 S+ 0 0 98 1,-0.2 -1,-0.1 5,-0.1 3,-0.1 -0.296 113.6 32.3 -58.4 141.1 -6.0 24.0 -21.5 102 101 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.271 90.5 121.3 90.2 -10.3 -8.0 26.5 -19.5 103 102 A T S <> S- 0 0 10 -3,-1.7 4,-2.2 1,-0.1 -1,-0.3 -0.417 75.2-113.9 -80.2 161.8 -9.7 23.8 -17.3 104 103 A I H > S+ 0 0 0 -14,-2.8 4,-2.5 1,-0.2 5,-0.4 0.925 117.5 47.8 -61.7 -44.7 -9.4 23.7 -13.5 105 104 A R H > S+ 0 0 19 -14,-2.7 4,-1.9 -15,-0.2 -1,-0.2 0.910 110.9 50.5 -68.7 -37.2 -7.4 20.5 -13.6 106 105 A A H 4 S+ 0 0 36 -6,-0.4 -1,-0.2 -15,-0.3 -2,-0.2 0.907 119.5 37.5 -61.1 -41.2 -5.1 21.7 -16.4 107 106 A D H < S+ 0 0 79 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.766 132.7 19.0 -85.4 -28.7 -4.3 24.9 -14.4 108 107 A F H < S+ 0 0 18 -4,-2.5 2,-0.4 -5,-0.2 -3,-0.2 0.497 96.4 95.7-124.2 -7.0 -4.2 23.7 -10.8 109 108 A A < - 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0 0 14 -2,-0.5 2,-0.1 25,-0.4 28,-0.1 -0.363 9.9-128.0 -68.4 144.0 -28.4 35.2 8.9 185 43 B S > - 0 0 55 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.432 26.2-111.1 -76.1 162.5 -31.5 35.6 11.0 186 44 B R H > S+ 0 0 117 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.942 119.8 53.5 -58.1 -46.6 -32.6 39.1 12.1 187 45 B A H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 110.2 46.5 -58.6 -39.8 -31.8 38.2 15.7 188 46 B D H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.902 111.0 51.0 -72.0 -37.3 -28.3 37.1 14.7 189 47 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.900 110.1 52.0 -63.1 -40.8 -27.7 40.2 12.6 190 48 B E H < S+ 0 0 83 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.876 111.8 44.8 -61.5 -42.8 -28.8 42.3 15.6 191 49 B K H >< S+ 0 0 125 -4,-1.9 3,-1.7 2,-0.2 4,-0.2 0.922 112.3 52.2 -65.2 -48.3 -26.3 40.5 17.9 192 50 B F H 3< S+ 0 0 23 -4,-2.9 3,-0.3 1,-0.3 -2,-0.2 0.897 118.3 36.8 -55.2 -43.4 -23.5 40.8 15.4 193 51 B Y T >< S+ 0 0 12 -4,-2.2 3,-2.1 1,-0.2 -1,-0.3 0.085 80.1 125.2 -98.1 21.5 -24.1 44.5 15.0 194 52 B A G X + 0 0 55 -3,-1.7 3,-2.2 1,-0.3 4,-0.2 0.806 63.5 65.3 -50.2 -38.9 -24.9 45.1 18.7 195 53 B V G 3 S+ 0 0 126 -3,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.749 104.9 46.9 -60.3 -22.6 -22.3 47.8 19.1 196 54 B H G X S+ 0 0 64 -3,-2.1 3,-1.4 1,-0.2 6,-0.3 0.188 74.9 116.8-101.4 14.9 -24.3 50.0 16.7 197 55 B A T < S+ 0 0 46 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.789 79.1 45.7 -57.2 -30.9 -27.7 49.3 18.4 198 56 B E T 3 S+ 0 0 178 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.595 92.9 97.0 -88.3 -15.3 -28.1 53.0 19.3 199 57 B R S X S- 0 0 137 -3,-1.4 3,-1.7 1,-0.1 4,-0.3 -0.501 78.8-125.7 -79.5 146.2 -27.1 54.4 15.9 200 58 B P T 3 S+ 0 0 115 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.631 109.3 59.5 -66.4 -15.2 -29.7 55.4 13.3 201 59 B F T 3> S+ 0 0 75 1,-0.2 4,-2.7 2,-0.1 5,-0.2 0.453 78.6 96.6 -89.7 -0.3 -28.1 53.2 10.6 202 60 B F H <> S+ 0 0 39 -3,-1.7 4,-2.5 -6,-0.3 5,-0.2 0.940 81.4 48.9 -49.1 -57.8 -28.6 50.1 12.8 203 61 B K H > S+ 0 0 59 -4,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.903 113.7 49.2 -55.6 -40.4 -31.9 49.0 11.2 204 62 B D H > S+ 0 0 73 -4,-0.3 4,-2.1 2,-0.2 5,-0.2 0.866 107.1 52.2 -68.8 -42.0 -30.2 49.4 7.8 205 63 B L H X S+ 0 0 36 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.956 115.8 44.3 -53.6 -46.1 -27.1 47.4 8.7 206 64 B V H X S+ 0 0 3 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.943 112.8 47.8 -66.7 -52.2 -29.4 44.6 9.8 207 65 B E H < S+ 0 0 86 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.870 113.9 47.9 -58.5 -41.8 -31.8 44.7 6.9 208 66 B F H >< S+ 0 0 80 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.851 109.6 52.7 -70.2 -34.6 -29.0 44.7 4.4 209 67 B M H 3< S+ 0 0 1 -4,-1.7 -25,-0.4 -5,-0.2 3,-0.3 0.778 115.8 39.8 -73.0 -23.6 -27.2 41.8 6.1 210 68 B I T 3< S+ 0 0 26 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.353 86.4 95.9-106.8 5.9 -30.3 39.5 6.1 211 69 B S S < S- 0 0 82 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.586 101.5 -16.7 -72.5 -12.5 -31.6 40.4 2.6 212 70 B G S S- 0 0 10 -3,-0.3 -28,-0.4 -4,-0.2 -57,-0.1 -0.966 92.8 -52.3-174.6 176.0 -29.9 37.4 1.1 213 71 B P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.334 48.9-157.5 -67.9 153.2 -27.2 34.7 1.7 214 72 B V E - G 0 182A 0 -32,-3.1 -32,-2.1 -57,-0.1 2,-0.5 -0.825 16.3-129.2-124.8 161.2 -23.7 35.7 2.7 215 73 B M E -EG 152 181A 0 -63,-1.8 -63,-3.0 -2,-0.3 2,-0.4 -0.978 28.4-168.0-112.6 120.4 -20.3 34.0 2.5 216 74 B I E +EG 151 180A 0 -36,-3.1 -36,-2.6 -2,-0.5 2,-0.3 -0.921 12.7 164.9-115.0 132.9 -18.5 34.1 5.9 217 75 B Q E -EG 150 179A 0 -67,-2.4 -67,-3.0 -2,-0.4 2,-0.5 -0.997 35.3-127.4-147.1 156.7 -14.9 33.3 6.3 218 76 B V E -EG 149 178A 0 -40,-1.8 -41,-2.4 -2,-0.3 -40,-1.0 -0.884 25.1-156.4-100.9 128.8 -11.9 33.5 8.6 219 77 B L E -EG 148 176A 0 -71,-2.5 -71,-2.1 -2,-0.5 2,-0.4 -0.930 10.2-166.0-109.1 127.5 -8.8 35.0 7.1 220 78 B E E +EG 147 175A 4 -45,-2.7 -45,-2.5 -2,-0.5 2,-0.3 -0.923 30.0 88.4-120.6 139.7 -5.4 34.1 8.6 221 79 B G S > S- 0 0 7 -75,-2.5 3,-1.9 -2,-0.4 4,-0.2 -0.878 75.7 -41.5 159.8 170.7 -2.0 35.6 8.2 222 80 B E T 3 S- 0 0 133 1,-0.3 5,-0.1 -2,-0.3 -2,-0.0 -0.367 126.8 -2.7 -55.2 130.6 0.5 38.2 9.3 223 81 B D T 3> S+ 0 0 72 1,-0.1 4,-2.8 3,-0.1 -1,-0.3 0.740 86.3 160.2 56.2 29.4 -1.3 41.5 10.0 224 82 B A H <> + 0 0 0 -3,-1.9 4,-2.7 1,-0.2 5,-0.3 0.848 63.7 53.8 -50.8 -44.9 -4.5 39.9 8.8 225 83 B I H > S+ 0 0 10 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.957 117.4 34.4 -59.5 -52.9 -6.9 42.4 10.5 226 84 B L H > S+ 0 0 90 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.849 116.2 56.0 -74.0 -33.2 -5.3 45.5 9.0 227 85 B K H X S+ 0 0 60 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.941 107.8 48.0 -65.4 -47.1 -4.5 43.8 5.7 228 86 B N H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.941 111.0 52.1 -57.1 -45.1 -8.1 42.8 5.1 229 87 B R H X S+ 0 0 109 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.921 109.6 49.6 -57.1 -41.9 -9.2 46.4 6.0 230 88 B D H < S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 111.8 48.6 -62.6 -41.0 -6.7 47.7 3.4 231 89 B L H < S+ 0 0 37 -4,-2.4 14,-2.8 1,-0.2 15,-0.2 0.851 111.8 49.5 -68.0 -36.3 -8.1 45.2 0.8 232 90 B M H < S- 0 0 4 -4,-2.7 14,-2.7 12,-0.2 15,-0.3 0.908 96.4-156.2 -68.3 -44.2 -11.7 46.2 1.6 233 91 B G < - 0 0 16 -4,-2.3 7,-0.1 -5,-0.2 -1,-0.1 -0.241 41.0 -17.2 86.4 178.7 -11.2 50.0 1.4 234 92 B A - 0 0 42 5,-0.1 6,-0.2 2,-0.1 5,-0.1 -0.131 62.6-117.4 -57.3 149.8 -13.2 52.8 2.9 235 93 B T S S+ 0 0 83 4,-0.1 -1,-0.1 1,-0.1 5,-0.0 0.881 107.3 61.1 -55.8 -45.2 -16.7 52.0 4.3 236 94 B D S >> S- 0 0 52 1,-0.1 3,-1.8 2,-0.0 4,-0.7 -0.789 80.8-150.4 -85.3 115.3 -18.3 54.5 1.8 237 95 B P T 34 S+ 0 0 16 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.719 94.2 66.3 -63.0 -22.7 -17.4 53.1 -1.6 238 96 B K T 34 S+ 0 0 92 1,-0.2 -3,-0.1 -3,-0.0 9,-0.0 0.770 109.5 39.2 -64.0 -27.0 -17.4 56.6 -3.1 239 97 B K T <4 S+ 0 0 161 -3,-1.8 -1,-0.2 -5,-0.1 -5,-0.1 0.525 91.5 113.9 -99.2 -9.5 -14.3 57.2 -0.9 240 98 B A S < S- 0 0 14 -4,-0.7 3,-0.1 -6,-0.2 -7,-0.1 -0.363 72.9-106.9 -67.5 139.3 -12.6 53.8 -1.3 241 99 B E > - 0 0 152 1,-0.1 3,-1.9 -2,-0.1 6,-0.4 -0.292 45.3 -84.8 -65.6 150.8 -9.3 53.7 -3.1 242 100 B K T 3 S+ 0 0 103 1,-0.3 -1,-0.1 5,-0.1 3,-0.1 -0.245 114.9 22.3 -56.0 134.2 -9.1 52.4 -6.7 243 101 B G T 3 S+ 0 0 47 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.476 90.0 125.1 86.1 1.2 -8.7 48.6 -6.7 244 102 B T S <> S- 0 0 12 -3,-1.9 4,-1.9 1,-0.1 -1,-0.3 -0.544 74.9-109.7 -82.2 162.5 -10.1 47.9 -3.2 245 103 B I H > S+ 0 0 0 -14,-2.8 4,-2.8 1,-0.2 5,-0.4 0.903 119.2 47.4 -58.8 -45.4 -13.0 45.5 -2.9 246 104 B R H > S+ 0 0 17 -14,-2.7 4,-1.8 -15,-0.2 -1,-0.2 0.900 111.1 50.3 -68.4 -36.2 -15.5 48.3 -2.1 247 105 B A H 4 S+ 0 0 37 -6,-0.4 -1,-0.2 -15,-0.3 -2,-0.2 0.856 120.1 37.5 -66.3 -34.2 -14.3 50.5 -5.0 248 106 B D H < S+ 0 0 79 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.801 133.1 17.9 -88.7 -32.4 -14.7 47.6 -7.4 249 107 B F H < S+ 0 0 19 -4,-2.8 2,-0.4 -5,-0.2 -3,-0.2 0.492 95.0 99.8-122.9 -4.3 -17.8 45.8 -6.2 250 108 B A < - 0 0 17 -4,-1.8 6,-0.2 -5,-0.4 3,-0.1 -0.752 40.9-171.5 -96.2 133.4 -19.8 48.1 -3.9 251 109 B D S S- 0 0 120 4,-1.3 2,-0.3 -2,-0.4 5,-0.2 0.780 70.7 -18.8 -82.7 -33.5 -22.9 50.0 -5.1 252 110 B S S S- 0 0 50 3,-1.6 -1,-0.2 1,-0.1 5,-0.0 -0.952 75.7 -82.9-161.8 175.2 -23.4 52.2 -1.9 253 111 B I S S+ 0 0 89 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.859 130.7 44.0 -62.0 -31.1 -22.5 52.5 1.8 254 112 B D S S+ 0 0 57 1,-0.3 2,-1.8 2,-0.1 -1,-0.2 0.977 118.3 41.4 -73.7 -56.0 -25.4 50.1 2.5 255 113 B A S S+ 0 0 10 1,-0.2 -3,-1.6 -100,-0.1 -4,-1.3 -0.533 77.3 146.8 -86.4 69.5 -24.6 47.7 -0.3 256 114 B N - 0 0 5 -2,-1.8 2,-2.2 -3,-0.5 -6,-0.2 0.068 52.9-130.8-104.1 26.0 -20.8 47.9 0.5 257 115 B A S S+ 0 0 0 -8,-0.2 -104,-2.3 -105,-0.1 2,-0.3 -0.107 70.3 36.8 76.0 -44.1 -19.9 44.3 -0.4 258 116 B V E -F 152 0A 0 -2,-2.2 2,-0.3 -106,-0.3 -106,-0.2 -0.967 52.5-152.5-146.6 154.9 -17.9 43.2 2.6 259 117 B H E -F 151 0A 23 -108,-2.4 -108,-2.1 -2,-0.3 2,-0.3 -0.937 16.7-178.8-119.6 150.1 -17.4 43.3 6.4 260 118 B G E -F 150 0A 8 -2,-0.3 -110,-0.2 -110,-0.2 7,-0.0 -0.982 36.3 -98.3-146.4 141.6 -14.1 42.9 8.2 261 119 B S - 0 0 0 -112,-1.6 -32,-0.2 -2,-0.3 -33,-0.1 -0.267 27.7-152.4 -52.9 140.4 -13.2 42.9 11.9 262 120 B D + 0 0 93 1,-0.1 -1,-0.1 -33,-0.0 3,-0.1 0.491 67.4 10.4 -98.1 -2.7 -11.9 46.2 13.0 263 121 B A S > S- 0 0 34 1,-0.1 4,-2.5 -38,-0.0 5,-0.2 -0.981 81.3 -94.0-167.3 163.3 -9.6 45.2 16.0 264 122 B P H > S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.907 121.8 45.7 -57.2 -43.2 -8.1 42.3 17.7 265 123 B E H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.876 113.5 48.4 -72.0 -35.1 -10.9 41.9 20.3 266 124 B T H > S+ 0 0 47 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.887 109.5 54.3 -70.1 -35.8 -13.7 42.3 17.7 267 125 B A H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.944 109.2 48.5 -58.4 -47.0 -11.9 39.7 15.5 268 126 B R H X S+ 0 0 149 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.920 115.8 42.7 -58.5 -47.1 -11.9 37.2 18.5 269 127 B V H X S+ 0 0 87 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.913 115.4 48.2 -67.6 -43.6 -15.6 37.8 19.2 270 128 B E H X S+ 0 0 24 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.879 111.7 48.7 -69.9 -39.3 -16.8 37.7 15.6 271 129 B I H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.936 113.5 48.0 -61.4 -45.5 -14.8 34.5 14.8 272 130 B A H < S+ 0 0 70 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.783 107.0 58.1 -68.8 -28.4 -16.2 32.9 17.9 273 131 B F H < S+ 0 0 79 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.911 118.8 27.2 -64.8 -42.7 -19.8 34.0 17.0 274 132 B F H < S+ 0 0 10 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.650 122.1 40.7 -99.4 -19.3 -19.8 32.3 13.6 275 133 B F < - 0 0 11 -4,-2.3 2,-0.2 -5,-0.2 -1,-0.2 -0.995 62.7-137.3-138.2 135.0 -17.4 29.3 14.0 276 134 B P > - 0 0 66 0, 0.0 3,-2.1 0, 0.0 -3,-0.0 -0.619 38.1-116.5 -73.5 146.2 -16.5 26.7 16.5 277 135 B E G > S+ 0 0 110 1,-0.3 3,-1.8 -2,-0.2 -5,-0.0 0.796 113.3 67.6 -57.2 -26.8 -12.7 26.3 16.7 278 136 B M G 3 S+ 0 0 149 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.660 100.0 50.3 -68.0 -15.4 -13.0 22.7 15.4 279 137 B N G < S+ 0 0 60 -3,-2.1 2,-0.5 -238,-0.1 -100,-0.3 0.144 93.4 86.1-107.0 16.7 -14.2 24.1 12.1 280 138 B V < - 0 0 15 -3,-1.8 2,-0.7 -102,-0.1 -102,-0.2 -0.988 62.9-165.6-115.1 122.0 -11.3 26.6 11.8 281 139 B Y - 0 0 38 -104,-3.3 -3,-0.1 -2,-0.5 -240,-0.0 -0.777 4.3-156.8-120.1 86.1 -8.3 24.9 10.1 282 140 B S 0 0 69 -2,-0.7 -137,-0.1 1,-0.1 -106,-0.0 -0.292 360.0 360.0 -61.6 143.6 -5.0 26.8 10.5 283 141 B R 0 0 78 -108,-0.0 -1,-0.1 -212,-0.0 -2,-0.0 0.115 360.0 360.0-162.1 360.0 -2.4 26.0 7.8