==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-OCT-08 2W1I . COMPND 2 MOLECULE: JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HOWARD,V.BERDINI,J.A.BOULSTRIDGE,M.G.CARR,D.M.CROSS, . 572 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 15.2 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 39 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 2 0 2 0 1 1 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 3 1 6 0 2 0 2 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 . 4 0 2 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 1 843 A Q 0 0 182 0, 0.0 2,-0.4 0, 0.0 74,-0.1 0.000 360.0 360.0 360.0 154.2 42.1 24.8 -1.7 2 844 A F - 0 0 33 72,-1.1 2,-0.6 81,-0.0 74,-0.3 -0.911 360.0-136.7-107.2 133.3 43.2 22.6 -4.7 3 845 A E >> - 0 0 85 -2,-0.4 3,-2.3 1,-0.1 4,-0.5 -0.824 10.5-136.8 -95.9 116.2 43.5 24.0 -8.2 4 846 A E G >4 S+ 0 0 71 -2,-0.6 3,-1.2 72,-0.3 -1,-0.1 0.736 99.3 57.8 -27.9 -48.8 42.1 21.8 -11.0 5 847 A R G 34 S+ 0 0 188 1,-0.3 -1,-0.3 21,-0.0 -3,-0.0 0.723 99.5 57.6 -73.5 -20.7 44.9 22.4 -13.4 6 848 A H G <4 S+ 0 0 27 -3,-2.3 21,-2.4 2,-0.1 2,-0.7 0.533 80.8 102.5 -85.1 -8.1 47.6 21.2 -11.0 7 849 A L E << -A 26 0A 24 -3,-1.2 2,-0.5 -4,-0.5 19,-0.2 -0.698 57.1-167.3 -74.8 114.1 46.0 17.8 -10.7 8 850 A K E -A 25 0A 72 17,-2.4 17,-2.8 -2,-0.7 2,-0.1 -0.939 18.4-127.1-106.3 120.8 48.0 15.4 -12.9 9 851 A F E +A 24 0A 101 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.392 34.5 165.0 -61.6 139.3 46.4 12.0 -13.7 10 852 A L E - 0 0 67 13,-2.3 2,-0.3 1,-0.4 14,-0.2 0.618 61.5 -29.7-118.0 -61.6 48.5 8.9 -12.9 11 853 A Q E -A 23 0A 106 12,-1.3 12,-3.3 0, 0.0 -1,-0.4 -0.983 60.3 -96.0-153.2 163.1 46.0 6.0 -13.0 12 854 A Q E -A 22 0A 88 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.426 27.1-174.2 -67.4 154.0 42.4 5.0 -12.4 13 855 A L E - 0 0 75 8,-2.6 2,-0.3 1,-0.3 9,-0.2 0.618 52.1 -67.9-114.4 -46.8 41.8 3.6 -8.9 14 856 A G E -A 21 0A 22 7,-1.9 7,-3.1 2,-0.0 2,-0.4 -0.959 34.9 -94.8 173.7 171.7 38.1 2.5 -9.3 15 857 A K - 0 0 71 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.890 35.2-177.4-104.7 142.6 34.4 3.2 -9.7 16 858 A G - 0 0 25 -2,-0.4 2,-2.3 3,-0.2 120,-0.0 -0.435 54.8 -43.8-117.7-162.3 32.0 3.4 -6.7 17 859 A N S S- 0 0 35 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 -0.474 127.4 -18.7 -74.5 75.6 28.2 3.9 -6.4 18 860 A F S S+ 0 0 42 -2,-2.3 25,-0.7 1,-0.3 26,-0.6 0.020 124.2 50.3 123.2 -15.5 27.9 6.8 -9.0 19 861 A G E S- B 0 42A 2 23,-0.2 -1,-0.3 24,-0.1 2,-0.3 -0.169 70.5-110.9-121.9-151.7 31.4 8.3 -9.6 20 862 A S E - B 0 41A 1 21,-1.2 21,-2.5 -5,-0.2 2,-0.4 -0.970 15.9-147.3-150.3 151.0 35.0 7.5 -10.4 21 863 A V E -AB 14 40A 26 -7,-3.1 -8,-2.6 -2,-0.3 -7,-1.9 -0.979 16.9-174.2-125.5 124.1 38.2 7.7 -8.3 22 864 A E E -AB 12 39A 24 17,-3.5 17,-2.7 -2,-0.4 2,-0.6 -0.867 27.5-123.1-116.4 152.3 41.7 8.5 -9.8 23 865 A M E +AB 11 38A 29 -12,-3.3 -13,-2.3 -2,-0.3 -12,-1.3 -0.822 44.9 173.5 -87.0 122.0 45.2 8.6 -8.4 24 866 A C E -AB 9 37A 3 13,-2.4 13,-2.8 -2,-0.6 2,-0.6 -0.928 33.1-133.4-131.9 156.8 46.6 12.0 -9.1 25 867 A R E -AB 8 36A 67 -17,-2.8 -17,-2.4 -2,-0.3 2,-1.1 -0.943 12.9-149.3-109.1 115.2 49.6 14.2 -8.3 26 868 A Y E +AB 7 35A 45 9,-2.6 9,-0.7 -2,-0.6 -19,-0.2 -0.766 33.9 164.1 -78.7 102.2 48.9 17.7 -7.1 27 869 A D > + 0 0 0 -21,-2.4 3,-1.4 -2,-1.1 5,-0.1 -0.694 15.5 162.7-131.3 75.7 52.0 19.2 -8.6 28 870 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.654 80.4 54.2 -76.0 -14.3 51.8 23.0 -8.8 29 871 A L T 3 S- 0 0 122 -3,-0.1 -2,-0.0 -23,-0.1 -3,-0.0 0.379 95.4-143.5 -95.0 -1.4 55.6 23.3 -9.3 30 872 A Q S < S+ 0 0 103 -3,-1.4 -3,-0.0 1,-0.2 -1,-0.0 0.378 74.0 110.0 56.6 -5.4 55.5 20.9 -12.3 31 873 A D S S- 0 0 92 1,-0.1 -1,-0.2 0, 0.0 -4,-0.0 0.361 92.4-115.4 -80.7 3.0 58.8 19.5 -11.2 32 874 A N S S+ 0 0 100 -5,-0.1 -1,-0.1 1,-0.1 -5,-0.0 0.632 86.8 111.5 80.8 18.1 57.0 16.3 -10.3 33 875 A T + 0 0 99 2,-0.0 -1,-0.1 -8,-0.0 -7,-0.1 0.499 47.6 123.9 -98.6 -4.3 57.5 16.3 -6.5 34 876 A G - 0 0 14 1,-0.2 2,-0.3 -9,-0.1 -7,-0.2 0.083 69.5 -78.2 -64.2 165.7 53.9 17.0 -5.5 35 877 A E E -B 26 0A 95 -9,-0.7 -9,-2.6 -10,-0.1 2,-0.5 -0.432 37.4-134.6 -62.0 123.4 51.6 15.2 -3.2 36 878 A V E +B 25 0A 34 -2,-0.3 50,-0.5 -11,-0.2 2,-0.2 -0.719 36.7 170.7 -78.9 127.4 49.9 12.0 -4.5 37 879 A V E -B 24 0A 0 -13,-2.8 -13,-2.4 -2,-0.5 2,-0.4 -0.794 36.0-110.0-132.9 167.2 46.1 12.1 -3.6 38 880 A A E -BC 23 84A 7 46,-3.4 46,-2.9 -2,-0.2 2,-0.4 -0.841 34.3-160.4-100.1 142.6 43.0 10.2 -4.4 39 881 A V E -BC 22 83A 0 -17,-2.7 -17,-3.5 -2,-0.4 2,-0.4 -0.986 8.0-162.3-133.8 126.6 40.4 12.1 -6.5 40 882 A K E +BC 21 82A 4 42,-2.9 42,-2.1 -2,-0.4 2,-0.3 -0.872 15.1 171.1-106.1 138.5 36.7 11.5 -7.0 41 883 A K E -BC 20 81A 65 -21,-2.5 -21,-1.2 -2,-0.4 2,-0.5 -0.992 35.9-105.3-145.8 147.7 34.7 12.9 -9.9 42 884 A L E -B 19 0A 11 38,-0.6 3,-0.4 -2,-0.3 -23,-0.2 -0.628 17.9-164.2 -78.1 122.9 31.2 12.5 -11.2 43 885 A Q S S+ 0 0 96 -25,-0.7 2,-0.6 -2,-0.5 -1,-0.2 0.946 94.3 28.3 -61.6 -52.8 30.9 10.4 -14.4 44 886 A H S S- 0 0 34 -26,-0.6 2,-3.1 1,-0.0 -1,-0.3 -0.740 81.0-165.1-116.5 82.4 27.3 11.7 -15.0 45 887 A S + 0 0 38 -2,-0.6 -3,-0.0 -3,-0.4 -26,-0.0 -0.214 22.9 165.9 -74.9 55.6 27.3 15.1 -13.4 46 888 A T - 0 0 29 -2,-3.1 4,-0.5 1,-0.1 -4,-0.0 0.189 51.6-111.8 -54.4-178.4 23.5 15.6 -13.3 47 889 A E S > S+ 0 0 139 2,-0.1 4,-0.7 3,-0.1 -1,-0.1 0.685 120.6 48.8 -86.2 -23.5 21.9 18.3 -11.2 48 890 A E H >> S+ 0 0 122 2,-0.2 4,-1.7 1,-0.1 3,-0.7 0.953 115.1 41.7 -75.6 -54.5 20.4 15.5 -9.0 49 891 A H H 3> S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 -2,-0.1 0.759 108.2 62.4 -62.0 -29.2 23.7 13.6 -8.6 50 892 A L H 3> S+ 0 0 28 -4,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.804 104.5 48.1 -67.9 -32.2 25.6 16.9 -8.1 51 893 A R H < S+ 0 0 3 -4,-2.6 3,-2.5 1,-0.2 11,-0.3 0.944 111.4 55.1 -57.3 -52.7 33.1 13.1 4.7 61 903 A K H 3< S+ 0 0 71 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.845 107.6 50.5 -43.1 -44.0 34.4 16.6 5.5 62 904 A S T 3< S+ 0 0 44 -4,-1.1 2,-0.6 -3,-0.3 -1,-0.3 0.343 95.5 86.4 -85.4 7.9 32.6 16.5 8.9 63 905 A L < + 0 0 5 -3,-2.5 2,-0.5 -4,-0.2 8,-0.3 -0.929 48.0 172.3-116.6 112.3 34.0 13.0 9.8 64 906 A Q + 0 0 155 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.910 24.7 128.1-124.0 104.7 37.4 12.8 11.5 65 907 A H > - 0 0 52 -2,-0.5 3,-2.0 3,-0.5 -2,-0.0 -0.979 64.7-117.5-157.9 139.9 38.3 9.4 12.8 66 908 A D T 3 S+ 0 0 101 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.704 115.9 48.9 -48.7 -26.7 41.3 7.1 12.4 67 909 A N T 3 S+ 0 0 13 79,-0.1 80,-3.1 47,-0.1 2,-0.4 -0.006 96.2 79.0-113.0 28.4 39.1 4.6 10.6 68 910 A I B < S-e 147 0B 1 -3,-2.0 -3,-0.5 78,-0.3 80,-0.2 -0.966 91.5-105.9-138.2 116.7 37.4 6.9 8.1 69 911 A V - 0 0 4 78,-1.5 2,-0.3 -2,-0.4 -6,-0.1 -0.049 46.4-107.0 -40.3 136.7 39.3 7.9 5.0 70 912 A K - 0 0 98 -4,-0.1 15,-1.6 -6,-0.1 2,-0.4 -0.533 20.2-135.8 -78.4 136.0 40.5 11.6 5.3 71 913 A Y E +D 84 0A 59 -8,-0.3 13,-0.2 -11,-0.3 3,-0.1 -0.728 24.8 173.7 -79.7 135.8 38.9 14.5 3.4 72 914 A K E - 0 0 75 11,-2.3 2,-0.3 -2,-0.4 12,-0.2 0.719 49.1 -67.4-112.3 -34.0 41.5 16.9 2.0 73 915 A G E -D 83 0A 6 10,-1.3 10,-2.5 -72,-0.1 -1,-0.3 -0.994 41.4 -93.9 168.9-173.5 39.5 19.4 -0.2 74 916 A V E -D 82 0A 4 -2,-0.3 -72,-1.1 8,-0.2 2,-0.4 -0.896 16.1-143.5-131.1 162.4 37.5 20.2 -3.2 75 917 A C E -D 81 0A 0 6,-1.5 6,-1.3 -2,-0.3 2,-0.3 -0.999 15.0-157.8-125.3 132.2 37.9 21.4 -6.8 76 918 A Y 0 0 116 -2,-0.4 -72,-0.3 -74,-0.3 4,-0.2 -0.706 360.0 360.0-103.2 158.7 35.5 23.7 -8.6 77 919 A S 0 0 126 2,-0.5 3,-0.1 -2,-0.3 -2,-0.0 -0.689 360.0 360.0 -89.8 360.0 35.0 24.2 -12.4 78 ! 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 79 924 A N 0 0 75 0, 0.0 -2,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 142.9 31.2 20.7 -11.2 80 925 A L - 0 0 14 -4,-0.2 -38,-0.6 -3,-0.1 2,-0.4 -0.752 360.0-165.8-110.3 146.6 32.9 19.3 -8.1 81 926 A K E -CD 41 75A 28 -6,-1.3 -6,-1.5 -2,-0.3 2,-0.5 -0.999 17.1-138.8-129.0 136.4 35.8 16.9 -7.4 82 927 A L E -CD 40 74A 1 -42,-2.1 -42,-2.9 -2,-0.4 2,-0.5 -0.813 14.0-156.9 -94.8 123.3 36.5 15.3 -4.0 83 928 A I E +CD 39 73A 0 -10,-2.5 -11,-2.3 -2,-0.5 -10,-1.3 -0.888 21.4 169.0-102.0 133.1 40.2 15.2 -3.0 84 929 A M E -CD 38 71A 21 -46,-2.9 -46,-3.4 -2,-0.5 -13,-0.2 -0.945 41.6 -83.9-139.1 158.2 41.1 12.5 -0.5 85 930 A E - 0 0 19 -15,-1.6 2,-0.5 -2,-0.3 -48,-0.1 -0.311 47.3-123.2 -54.9 141.1 44.1 10.9 1.1 86 931 A Y - 0 0 70 -50,-0.5 -1,-0.1 -62,-0.1 -50,-0.1 -0.851 20.1-160.3 -90.6 127.9 45.5 8.1 -1.1 87 932 A L > - 0 0 13 -2,-0.5 3,-1.4 1,-0.1 52,-0.2 -0.945 6.7-154.0-111.4 109.5 45.7 4.8 0.6 88 933 A P T 3 S+ 0 0 73 0, 0.0 52,-0.1 0, 0.0 -1,-0.1 0.590 80.7 64.5 -65.8 -16.5 48.1 2.6 -1.3 89 934 A Y T 3 S- 0 0 109 50,-1.3 51,-0.1 1,-0.2 6,-0.1 0.409 91.2-142.7 -94.4 0.7 46.8 -0.9 -0.5 90 935 A G < - 0 0 31 -3,-1.4 49,-2.7 49,-0.2 -1,-0.2 -0.218 47.0 -12.4 77.4-164.3 43.4 -0.7 -2.2 91 936 A S B > -F 138 0B 14 47,-0.2 4,-2.3 1,-0.1 47,-0.3 -0.389 57.8-126.1 -73.8 150.5 40.1 -2.0 -1.1 92 937 A L H > S+ 0 0 0 45,-3.4 4,-2.7 42,-0.9 5,-0.4 0.903 110.1 60.8 -62.3 -40.5 39.9 -4.6 1.7 93 938 A R H > S+ 0 0 68 41,-1.0 4,-1.3 44,-0.3 -1,-0.2 0.907 112.0 37.4 -52.9 -45.3 38.0 -6.9 -0.6 94 939 A D H > S+ 0 0 82 2,-0.2 4,-2.4 40,-0.2 -1,-0.2 0.861 115.7 52.4 -75.9 -38.3 40.9 -7.0 -3.0 95 940 A Y H X S+ 0 0 24 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.898 114.3 41.9 -66.6 -44.0 43.7 -7.0 -0.4 96 941 A L H < S+ 0 0 0 -4,-2.7 4,-0.3 2,-0.2 -1,-0.2 0.849 113.9 53.9 -70.1 -37.0 42.2 -10.0 1.5 97 942 A Q H < S+ 0 0 34 -4,-1.3 3,-0.5 -5,-0.4 -2,-0.2 0.912 115.0 39.4 -62.7 -44.9 41.4 -11.8 -1.8 98 943 A K H < S+ 0 0 150 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.960 122.6 39.5 -70.1 -54.0 44.9 -11.5 -3.0 99 944 A H S >< S+ 0 0 68 -4,-2.4 3,-1.1 -5,-0.2 4,-0.3 0.149 90.8 179.9 -86.4 15.7 46.7 -12.2 0.3 100 945 A K T 3 - 0 0 66 -3,-0.5 2,-3.7 -4,-0.3 -3,-0.1 0.349 60.6 -13.1 -13.2 129.8 44.2 -14.9 1.3 101 946 A E T 3 S+ 0 0 119 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.167 110.8 91.7 61.9 -27.4 44.6 -16.8 4.7 102 947 A R S < S+ 0 0 181 -2,-3.7 2,-0.8 -3,-1.1 -1,-0.3 0.515 76.1 78.2 -69.2 -9.6 48.1 -15.4 5.1 103 948 A I S S- 0 0 9 -4,-0.3 -2,-0.2 -7,-0.2 -1,-0.1 -0.937 87.7-153.4 -92.6 105.4 46.0 -12.8 6.9 104 949 A D > - 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0 0 18 -3,-0.9 -3,-0.2 -4,-0.5 -105,-0.1 0.842 58.7 -71.3 52.5 37.6 38.5 -14.7 2.5 206 1051 A I T 3 S+ 0 0 129 1,-0.3 3,-0.6 2,-0.2 6,-0.2 0.710 97.5 58.3 -81.2 -21.0 33.9 -16.0 -5.1 209 1054 A S G 3 S+ 0 0 67 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.690 111.3 45.4 -71.6 -21.7 31.8 -19.1 -4.9 210 1055 A K G < S+ 0 0 62 -3,-0.9 -1,-0.2 -6,-0.1 -2,-0.2 0.168 81.6 122.5-114.2 11.8 30.9 -18.1 -1.3 211 1056 A S S <> S- 0 0 33 -3,-0.6 4,-2.5 -5,-0.1 5,-0.2 -0.249 77.0-102.7 -67.7 162.2 30.1 -14.4 -1.6 212 1057 A P H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 5,-0.4 0.975 120.6 48.4 -51.1 -56.1 26.8 -13.2 -0.4 213 1058 A P H > S+ 0 0 24 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.938 112.6 47.9 -54.8 -46.2 25.3 -12.8 -3.9 214 1059 A A H > S+ 0 0 31 1,-0.2 4,-1.6 -6,-0.2 -4,-0.1 0.937 118.4 41.4 -59.0 -43.8 26.5 -16.3 -5.0 215 1060 A E H X S+ 0 0 16 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.868 114.8 47.0 -74.7 -42.4 25.1 -17.9 -1.8 216 1061 A F H X S+ 0 0 8 -4,-3.2 4,-1.9 -5,-0.2 -1,-0.2 0.866 113.7 51.0 -64.3 -37.1 21.8 -16.0 -1.5 217 1062 A M H X S+ 0 0 1 -4,-2.3 4,-1.7 -5,-0.4 7,-0.2 0.864 108.6 51.8 -65.4 -40.4 21.2 -16.7 -5.2 218 1063 A R H < S+ 0 0 134 -4,-1.6 4,-0.2 -5,-0.3 -2,-0.2 0.956 111.5 47.5 -57.3 -50.9 21.9 -20.4 -4.5 219 1064 A M H < S+ 0 0 53 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.795 119.4 36.5 -64.6 -36.7 19.4 -20.5 -1.7 220 1065 A I H < S- 0 0 13 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.631 126.1 -90.2 -90.8 -16.7 16.5 -18.7 -3.6 221 1066 A G >< - 0 0 16 -4,-1.7 3,-1.5 -5,-0.2 -3,-0.1 0.193 16.9-119.3 111.4 127.0 17.3 -20.4 -6.9 222 1067 A N T 3 S+ 0 0 97 1,-0.3 -4,-0.1 -4,-0.2 -1,-0.1 0.630 110.9 70.9 -68.3 -15.8 19.6 -19.2 -9.7 223 1068 A D T 3 S+ 0 0 116 -6,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.604 74.3 104.6 -72.1 -13.6 16.5 -19.2 -11.9 224 1069 A K < - 0 0 41 -3,-1.5 2,-0.3 -7,-0.2 -3,-0.1 -0.567 54.5-172.3 -77.5 133.1 15.2 -16.1 -10.0 225 1070 A Q > - 0 0 24 -2,-0.3 3,-1.4 338,-0.1 4,-0.2 -0.940 36.8 -33.9-131.7 147.5 15.6 -13.0 -12.1 226 1071 A G T >> S+ 0 0 0 -2,-0.3 3,-2.8 1,-0.2 4,-0.6 -0.066 124.8 7.2 45.6-140.3 15.2 -9.2 -11.5 227 1072 A Q H >> S+ 0 0 108 336,-0.4 4,-1.3 1,-0.3 3,-0.6 0.727 125.2 64.8 -38.6 -38.9 12.4 -8.1 -9.2 228 1073 A M H <> S+ 0 0 81 -3,-1.4 4,-2.7 1,-0.2 -1,-0.3 0.773 88.1 66.9 -60.8 -32.2 11.7 -11.7 -8.1 229 1074 A I H <> S+ 0 0 0 -3,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.926 104.5 46.2 -53.2 -42.3 15.2 -12.0 -6.6 230 1075 A V H <>S+ 0 0 36 -4,-2.4 5,-2.7 1,-0.2 3,-0.7 0.959 114.3 41.7 -53.9 -56.8 14.2 -16.4 2.6 237 1082 A L H ><5S+ 0 0 3 -4,-3.3 3,-1.7 1,-0.2 -2,-0.2 0.879 109.8 59.6 -59.2 -39.1 15.3 -13.8 5.3 238 1083 A K H 3<5S+ 0 0 132 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.819 108.1 46.0 -57.9 -32.4 11.8 -13.9 6.9 239 1084 A N T <<5S- 0 0 109 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.127 125.2 -98.4 -98.6 18.4 12.2 -17.6 7.5 240 1085 A N T < 5 + 0 0 115 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.696 64.6 160.8 69.3 20.9 15.7 -17.4 8.9 241 1086 A G < + 0 0 15 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.3 -0.643 21.1 168.0 -65.2 129.0 17.5 -18.4 5.7 242 1087 A R - 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0 0 12 -2,-0.4 4,-1.7 -25,-0.2 -57,-0.2 -0.935 65.9 -82.3-156.7 178.3 32.4 -12.9 -23.7 476 1033 B V H > S+ 0 0 56 -27,-0.5 4,-1.6 -2,-0.3 5,-0.1 0.870 129.1 54.9 -55.9 -35.8 29.4 -12.3 -21.4 477 1034 B A H > S+ 0 0 20 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.874 104.5 50.5 -69.8 -38.6 30.9 -8.8 -20.9 478 1035 B S H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.774 107.8 54.7 -71.4 -24.3 31.0 -8.1 -24.7 479 1036 B D H X S+ 0 0 3 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.837 103.9 55.0 -70.1 -35.6 27.3 -9.1 -24.8 480 1037 B V H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.864 105.3 53.1 -62.8 -34.2 26.6 -6.5 -22.1 481 1038 B W H X S+ 0 0 4 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.940 109.5 47.6 -63.7 -50.0 28.3 -3.9 -24.4 482 1039 B S H X S+ 0 0 4 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.876 107.9 56.2 -54.7 -40.5 25.9 -4.9 -27.2 483 1040 B F H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.896 102.1 56.6 -62.1 -39.1 23.0 -4.7 -24.8 484 1041 B G H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.937 108.9 45.8 -54.6 -46.7 24.0 -1.1 -24.0 485 1042 B V H X S+ 0 0 1 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.850 107.9 57.0 -68.1 -31.9 23.7 -0.3 -27.7 486 1043 B V H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.903 106.0 50.7 -61.7 -38.9 20.4 -2.2 -27.8 487 1044 B L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.853 109.5 50.8 -66.6 -37.0 19.2 0.2 -25.0 488 1045 B Y H X S+ 0 0 1 -4,-1.6 4,-1.6 2,-0.2 5,-0.2 0.962 109.3 51.0 -60.0 -54.5 20.3 3.1 -27.2 489 1046 B E H >X>S+ 0 0 7 -4,-2.9 3,-1.4 1,-0.2 5,-1.2 0.954 108.8 50.5 -46.8 -60.0 18.4 1.7 -30.1 490 1047 B L H ><5S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.893 112.6 46.1 -48.0 -49.2 15.2 1.3 -28.1 491 1048 B F H 3<5S+ 0 0 4 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.601 105.7 58.1 -81.3 -11.0 15.3 4.9 -26.9 492 1049 B T H X<5S- 0 0 15 -4,-1.6 3,-1.4 -3,-1.4 -1,-0.3 0.560 102.3-134.6 -79.8 -11.8 16.1 6.4 -30.3 493 1050 B Y T <<5 - 0 0 22 -3,-1.4 -3,-0.2 -4,-0.8 3,-0.1 0.884 60.3 -70.7 55.7 39.9 12.9 4.8 -31.4 494 1051 B I T 3 S+ 0 0 136 1,-0.3 3,-0.8 -2,-0.3 6,-0.2 0.801 100.2 48.1 -66.9 -34.7 16.9 6.4 -39.0 497 1054 B S G 3 S+ 0 0 74 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.538 106.5 61.0 -77.7 -9.0 19.7 9.0 -38.8 498 1055 B K G < S+ 0 0 60 -3,-1.9 -1,-0.2 -6,-0.1 -2,-0.2 0.388 73.0 125.3-103.6 1.0 20.4 8.1 -35.2 499 1056 B S S <> S- 0 0 34 -3,-0.8 4,-2.6 -4,-0.4 5,-0.2 -0.118 74.9-110.8 -47.5 152.6 21.4 4.4 -35.7 500 1057 B P H > S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.944 118.5 52.9 -56.8 -47.2 24.7 3.3 -34.4 501 1058 B P H > S+ 0 0 43 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.965 112.1 44.6 -53.0 -51.3 26.1 2.8 -37.9 502 1059 B A H > S+ 0 0 36 -6,-0.2 4,-1.5 1,-0.2 5,-0.1 0.949 117.9 44.4 -55.2 -50.3 25.0 6.4 -38.9 503 1060 B E H X S+ 0 0 7 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.818 114.6 45.8 -69.7 -38.1 26.4 7.9 -35.7 504 1061 B F H X S+ 0 0 8 -4,-3.0 4,-3.2 -5,-0.2 5,-0.3 0.891 111.7 52.9 -70.1 -39.9 29.7 6.1 -35.5 505 1062 B M H X S+ 0 0 26 -4,-2.5 4,-1.8 -5,-0.4 7,-0.2 0.814 108.9 51.4 -62.8 -31.4 30.3 6.8 -39.2 506 1063 B R H < S+ 0 0 128 -4,-1.5 4,-0.2 -5,-0.2 -1,-0.2 0.928 113.7 43.0 -69.2 -43.0 29.7 10.5 -38.4 507 1064 B M H < S+ 0 0 59 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.950 120.6 40.1 -68.2 -52.2 32.2 10.5 -35.6 508 1065 B I H < S- 0 0 15 -4,-3.2 -1,-0.2 1,-0.1 -2,-0.2 0.842 126.5 -97.5 -60.0 -37.3 34.8 8.5 -37.5 509 1066 B G >< - 0 0 12 -4,-1.8 3,-1.4 -5,-0.3 -3,-0.2 0.032 15.4-118.9 114.2 128.3 34.1 10.4 -40.7 510 1067 B N T 3 S+ 0 0 118 1,-0.3 -4,-0.1 -4,-0.2 -1,-0.1 0.713 110.6 71.4 -70.1 -21.7 31.8 9.3 -43.6 511 1068 B D T 3 S+ 0 0 114 -6,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.586 77.7 93.6 -62.2 -19.4 34.9 9.4 -45.8 512 1069 B K < + 0 0 45 -3,-1.4 -3,-0.1 -7,-0.2 -4,-0.0 -0.634 49.3 159.2 -77.5 139.1 36.3 6.3 -44.0 513 1070 B Q + 0 0 167 -2,-0.3 -1,-0.1 0, 0.0 2,-0.0 0.737 42.2 22.6-140.5 -27.0 35.3 3.1 -45.9 514 1071 B G S >> S- 0 0 46 3,-0.0 3,-2.1 0, 0.0 4,-0.6 0.113 121.5 -22.6-111.3-133.1 37.1 -0.3 -45.6 515 1072 B Q H >> S+ 0 0 184 1,-0.3 4,-1.8 2,-0.2 3,-1.1 0.838 129.2 73.6 -39.1 -40.1 39.2 -1.8 -42.9 516 1073 B M H 3> S+ 0 0 92 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.770 83.1 64.8 -54.6 -31.4 39.7 1.8 -42.0 517 1074 B I H <> S+ 0 0 34 -3,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.938 108.3 41.1 -55.3 -44.0 36.2 2.0 -40.6 518 1075 B V H S+ 0 0 37 -4,-2.0 5,-2.9 2,-0.2 3,-0.4 0.947 113.8 42.4 -66.7 -50.4 37.3 6.5 -31.3 525 1082 B L H ><5S+ 0 0 1 -4,-3.0 3,-1.8 1,-0.2 -2,-0.2 0.880 109.6 58.7 -63.3 -38.3 36.1 4.0 -28.6 526 1083 B K H 3<5S+ 0 0 130 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.813 108.7 46.8 -60.5 -30.4 39.7 4.0 -27.0 527 1084 B N T 3<5S- 0 0 109 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.099 125.6 -99.7 -97.3 19.7 39.2 7.8 -26.6 528 1085 B N T < 5 + 0 0 116 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.645 63.9 160.6 66.0 19.3 35.7 7.6 -25.1 529 1086 B G < + 0 0 14 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.3 -0.575 21.0 171.0 -59.6 128.2 33.9 8.4 -28.3 530 1087 B R - 0 0 37 -2,-0.3 16,-0.0 -3,-0.1 -5,-0.0 -0.963 42.8 -87.1-141.1 158.5 30.4 7.1 -27.5 531 1088 B L - 0 0 1 -2,-0.3 -27,-0.0 1,-0.1 15,-0.0 -0.457 57.7-114.9 -59.8 138.6 26.9 7.2 -28.9 532 1089 B P - 0 0 48 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.284 35.0 -82.9 -75.0 166.7 25.3 10.3 -27.6 533 1090 B R - 0 0 98 1,-0.1 3,-0.1 4,-0.0 6,-0.0 -0.537 52.8-115.5 -63.7 123.2 22.3 10.4 -25.3 534 1091 B P > - 0 0 7 0, 0.0 3,-1.7 0, 0.0 2,-0.1 -0.278 40.1 -87.2 -59.3 150.0 19.1 10.0 -27.3 535 1092 B D T 3 S+ 0 0 124 1,-0.2 0, 0.0 -43,-0.1 0, 0.0 -0.386 113.5 8.3 -56.9 126.1 16.7 12.9 -27.3 536 1093 B G T 3 S+ 0 0 67 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.319 86.8 150.7 88.6 -6.8 14.4 12.6 -24.3 537 1094 B C < - 0 0 3 -3,-1.7 -1,-0.2 1,-0.1 5,-0.1 -0.437 53.2-113.2 -66.4 115.2 16.1 9.7 -22.7 538 1095 B P >> - 0 0 39 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.181 27.1-121.4 -45.1 138.0 15.7 9.6 -18.9 539 1096 B D H 3> S+ 0 0 41 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.849 109.3 53.9 -56.7 -41.4 19.1 10.3 -17.3 540 1097 B E H 3> S+ 0 0 68 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.719 107.9 51.2 -75.6 -17.2 19.2 7.1 -15.3 541 1098 B I H <> S+ 0 0 0 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.856 107.9 53.1 -74.3 -39.0 18.6 5.0 -18.5 542 1099 B Y H X S+ 0 0 42 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.843 104.1 56.9 -63.3 -33.8 21.4 6.9 -20.2 543 1100 B M H X S+ 0 0 19 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.912 102.7 53.7 -61.6 -46.0 23.7 5.9 -17.2 544 1101 B I H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.891 107.6 52.0 -55.2 -42.6 23.0 2.2 -17.8 545 1102 B M H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 3,-0.3 0.969 112.2 43.8 -57.0 -54.8 24.1 2.6 -21.5 546 1103 B T H < S+ 0 0 27 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.752 107.7 58.4 -70.6 -25.5 27.4 4.3 -20.6 547 1104 B E H < S+ 0 0 64 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.895 109.1 46.5 -67.2 -39.2 28.2 1.8 -17.8 548 1105 B C H < S+ 0 0 0 -4,-1.7 2,-2.1 -3,-0.3 -2,-0.2 0.853 101.6 66.8 -63.3 -41.9 28.0 -1.0 -20.4 549 1106 B W S < S+ 0 0 9 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.2 -0.433 75.8 140.4 -81.1 64.1 30.1 0.9 -22.8 550 1107 B N - 0 0 25 -2,-2.1 6,-0.1 -3,-0.2 5,-0.1 -0.940 52.5-148.5-113.6 128.0 33.1 0.6 -20.5 551 1108 B N S S+ 0 0 55 -2,-0.5 2,-0.7 -26,-0.1 -1,-0.2 0.925 88.0 80.4 -61.0 -43.5 36.6 -0.0 -21.9 552 1109 B N S > S- 0 0 73 1,-0.2 3,-0.7 -3,-0.1 -2,-0.1 -0.530 72.7-161.1 -60.1 106.0 37.4 -1.9 -18.7 553 1110 B V G > S+ 0 0 52 -2,-0.7 3,-2.1 1,-0.2 -1,-0.2 0.977 86.2 51.8 -54.8 -63.9 35.7 -5.3 -19.5 554 1111 B N G 3 S+ 0 0 135 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.677 101.9 65.5 -41.3 -27.5 35.5 -6.5 -15.8 555 1112 B Q G < S+ 0 0 57 -3,-0.7 -1,-0.3 -5,-0.1 -2,-0.2 0.328 76.0 104.6 -91.4 6.0 33.8 -3.2 -14.9 556 1113 B R S < S- 0 0 17 -3,-2.1 -8,-0.2 1,-0.1 -75,-0.0 -0.586 79.2 -98.3 -88.2 146.5 30.6 -3.6 -16.9 557 1114 B P - 0 0 19 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.211 34.3-119.8 -58.6 157.0 27.4 -4.5 -15.1 558 1115 B S > - 0 0 45 1,-0.1 4,-1.7 -78,-0.0 5,-0.1 -0.509 22.5-116.1 -81.8 163.1 26.2 -8.1 -15.0 559 1116 B F H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.827 116.3 60.9 -69.5 -28.4 22.8 -9.0 -16.6 560 1117 B R H > S+ 0 0 59 1,-0.2 4,-1.4 2,-0.2 -334,-0.2 0.894 109.2 41.6 -63.6 -39.6 21.7 -10.0 -13.1 561 1118 B D H > S+ 0 0 54 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.819 111.9 55.8 -73.1 -34.4 22.3 -6.4 -11.9 562 1119 B L H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.892 108.6 46.5 -68.3 -39.6 20.8 -4.9 -15.0 563 1120 B A H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -336,-0.4 0.896 115.5 47.3 -66.9 -40.2 17.5 -6.8 -14.6 564 1121 B L H X S+ 0 0 24 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.989 115.6 44.3 -61.4 -58.2 17.5 -5.7 -10.9 565 1122 B R H X S+ 0 0 24 -4,-3.4 4,-1.9 1,-0.2 -2,-0.2 0.864 116.0 47.4 -54.1 -43.2 18.3 -2.1 -11.8 566 1123 B V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.947 110.6 49.7 -68.5 -50.8 15.8 -2.0 -14.7 567 1124 B D H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.816 108.7 57.4 -55.6 -28.9 12.9 -3.6 -12.7 568 1125 B Q H X S+ 0 0 45 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.975 106.9 44.6 -66.0 -54.9 13.7 -0.9 -10.0 569 1126 B I H X S+ 0 0 13 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.883 112.5 54.5 -55.1 -40.4 13.3 2.0 -12.3 570 1127 B R H X S+ 0 0 63 -4,-2.2 4,-1.9 1,-0.2 5,-0.3 0.871 106.3 51.5 -61.9 -40.9 10.1 0.3 -13.7 571 1128 B D H X S+ 0 0 85 -4,-2.0 4,-2.2 -3,-0.2 -2,-0.2 0.944 114.5 42.5 -59.3 -47.1 8.7 0.0 -10.1 572 1129 B Q H < S+ 0 0 16 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.907 114.0 49.1 -71.3 -46.4 9.3 3.7 -9.4 573 1130 B M H < S+ 0 0 76 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.961 115.7 43.8 -51.5 -56.0 8.1 5.1 -12.7 574 1131 B A H < 0 0 70 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.878 360.0 360.0 -64.7 -44.5 4.8 3.1 -12.6 575 1132 B G < 0 0 115 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 -0.385 360.0 360.0 -81.1 360.0 4.1 3.8 -9.0