==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-FEB-10 3LXK . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.E.CHRENCIK,A.PATNY,I.K.LEUNG,B.KORNISKI,T.L.EMMONS,T.E.BEN . 279 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 16.8 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 . 14 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 0 2 0 3 0 0 0 0 1 1 0 0 0 1 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 . 1 2 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 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 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 1 815 A T 0 0 115 0, 0.0 74,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 12.5 0.1 -2.0 -3.8 2 816 A I B -a 75 0A 120 72,-0.2 2,-0.5 74,-0.0 74,-0.2 -0.969 360.0-163.5-111.3 121.5 2.6 -1.3 -6.6 3 817 A F - 0 0 32 72,-2.5 2,-0.4 -2,-0.5 74,-0.4 -0.914 17.7-127.5-107.2 129.4 2.1 2.1 -8.3 4 818 A E >> - 0 0 93 -2,-0.5 3,-1.6 1,-0.1 4,-0.6 -0.650 10.5-137.6 -78.7 127.8 3.7 2.8 -11.7 5 819 A E G >4 S+ 0 0 62 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.876 101.4 59.9 -42.8 -49.7 5.7 6.0 -11.9 6 820 A R G 34 S+ 0 0 170 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.693 104.1 50.4 -62.3 -21.8 4.3 6.9 -15.3 7 821 A H G <4 S+ 0 0 25 -3,-1.6 21,-2.9 2,-0.0 2,-0.8 0.480 85.1 96.5 -95.3 -6.9 0.7 7.0 -13.9 8 822 A L E << -B 27 0A 21 -3,-1.6 2,-0.6 -4,-0.6 19,-0.2 -0.781 61.1-163.5 -84.3 112.7 1.4 9.2 -11.0 9 823 A K E -B 26 0A 75 17,-2.9 17,-2.4 -2,-0.8 2,-0.5 -0.890 15.5-128.5-104.5 121.6 0.5 12.8 -12.1 10 824 A Y E +B 25 0A 122 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.540 37.9 157.1 -76.3 119.6 1.9 15.6 -10.0 11 825 A I E - 0 0 75 13,-2.5 2,-0.3 -2,-0.5 14,-0.2 0.855 54.4 -26.4-103.9 -45.5 -0.5 18.3 -8.8 12 826 A S E -B 24 0A 40 12,-1.8 12,-3.2 0, 0.0 2,-0.4 -0.988 58.0 -91.7-167.9 163.1 0.7 20.2 -5.7 13 827 A Q E +B 23 0A 103 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.713 27.5 179.7 -86.0 135.2 2.8 20.2 -2.6 14 828 A L E - 0 0 76 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.685 59.4 -53.3-104.6 -28.0 1.1 19.1 0.7 15 829 A G E -B 22 0A 34 7,-1.7 7,-2.3 2,-0.0 -1,-0.4 -0.974 43.6-135.2 173.5-177.9 4.0 19.5 3.1 16 830 A K E +B 21 0A 172 -2,-0.3 2,-0.2 5,-0.3 5,-0.2 -0.974 24.6 146.8-157.5 161.5 7.6 18.7 4.0 17 831 A G E > +B 20 0A 32 3,-2.3 3,-3.2 -2,-0.3 -2,-0.0 -0.859 59.3 17.7 173.1 153.5 9.7 17.6 6.9 18 832 A N T 3 S- 0 0 55 1,-0.3 3,-0.1 -2,-0.2 157,-0.0 0.759 129.9 -46.6 40.4 51.4 12.8 15.6 7.9 19 833 A F T 3 S+ 0 0 115 1,-0.2 25,-2.4 24,-0.1 26,-0.5 0.445 122.6 97.1 73.8 1.2 14.4 15.4 4.4 20 834 A G E < -BC 17 43A 2 -3,-3.2 -3,-2.3 23,-0.3 2,-0.3 -0.734 53.8-158.7-119.5 166.0 11.0 14.4 2.8 21 835 A S E -BC 16 42A 11 21,-2.3 21,-1.9 -5,-0.2 2,-0.4 -0.976 10.4-145.7-136.2 149.3 8.1 16.0 1.0 22 836 A V E -BC 15 41A 26 -7,-2.3 -8,-2.9 -2,-0.3 -7,-1.7 -0.986 22.4-169.2-113.1 130.1 4.4 14.8 0.5 23 837 A E E -BC 13 40A 36 17,-2.7 17,-2.8 -2,-0.4 2,-0.6 -0.896 24.6-123.1-117.1 147.4 2.8 15.7 -2.8 24 838 A L E +BC 12 39A 13 -12,-3.2 -13,-2.5 -2,-0.3 -12,-1.8 -0.812 43.8 166.3 -84.8 122.8 -0.7 15.6 -4.0 25 839 A C E -BC 10 38A 6 13,-2.3 13,-2.6 -2,-0.6 2,-0.5 -0.909 34.3-130.1-127.1 160.5 -0.8 13.4 -7.1 26 840 A R E -BC 9 37A 65 -17,-2.4 -17,-2.9 -2,-0.3 2,-1.0 -0.973 14.5-142.0-105.4 128.4 -3.5 11.7 -9.2 27 841 A Y E +BC 8 36A 45 9,-3.1 9,-0.6 -2,-0.5 -19,-0.2 -0.828 36.1 169.2 -84.6 107.1 -2.9 8.1 -9.9 28 842 A D > + 0 0 2 -21,-2.9 3,-1.1 -2,-1.0 5,-0.1 -0.595 18.5 162.1-128.6 65.9 -4.4 8.3 -13.4 29 843 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.743 81.6 53.5 -61.4 -21.5 -3.7 5.1 -15.4 30 844 A L T 3 S- 0 0 136 -23,-0.1 -2,-0.1 1,-0.0 -23,-0.0 0.704 100.3-137.5 -83.2 -21.2 -6.5 6.1 -18.0 31 845 A G S < S+ 0 0 51 -3,-1.1 -3,-0.0 -24,-0.1 -4,-0.0 0.676 74.3 108.5 74.6 20.6 -4.9 9.6 -18.5 32 846 A D S S- 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.299 92.8-107.2-113.1 10.2 -8.3 11.3 -18.4 33 847 A N S S+ 0 0 120 -5,-0.1 -5,-0.0 -7,-0.1 -6,-0.0 0.719 94.9 105.2 66.7 28.2 -8.0 13.1 -15.1 34 848 A T + 0 0 93 2,-0.1 3,-0.1 -8,-0.0 -6,-0.1 0.472 47.8 112.3-109.9 -7.5 -10.5 10.8 -13.4 35 849 A G S S- 0 0 15 1,-0.1 -7,-0.2 -9,-0.1 2,-0.1 -0.081 77.3 -79.7 -64.8 168.0 -8.0 8.6 -11.4 36 850 A A E -C 27 0A 67 -9,-0.6 -9,-3.1 -10,-0.1 2,-0.3 -0.412 39.5-120.2 -69.6 138.1 -7.9 8.6 -7.6 37 851 A L E -C 26 0A 62 -11,-0.3 53,-0.6 -2,-0.1 2,-0.3 -0.623 38.0-179.0 -71.7 134.8 -6.1 11.4 -5.7 38 852 A V E -CD 25 89A 10 -13,-2.6 -13,-2.3 -2,-0.3 2,-0.5 -0.934 29.3-124.4-133.1 155.7 -3.2 10.0 -3.5 39 853 A A E -CD 24 88A 8 49,-2.7 49,-3.4 -2,-0.3 2,-0.5 -0.937 31.2-163.7-103.5 125.2 -0.7 11.5 -1.1 40 854 A V E -CD 23 87A 0 -17,-2.8 -17,-2.7 -2,-0.5 2,-0.4 -0.949 5.4-163.0-122.9 117.4 2.9 10.6 -2.2 41 855 A K E +CD 22 86A 8 45,-3.1 45,-2.8 -2,-0.5 2,-0.3 -0.805 19.1 155.0-100.1 140.4 6.0 10.9 0.0 42 856 A Q E -C 21 0A 10 -21,-1.9 -21,-2.3 -2,-0.4 2,-0.2 -0.959 49.5 -88.9-147.8 163.0 9.5 10.8 -1.3 43 857 A L E -C 20 0A 30 41,-0.5 -23,-0.3 -2,-0.3 3,-0.1 -0.541 35.4-131.8 -63.1 142.8 12.9 12.0 -0.2 44 858 A Q S S- 0 0 99 -25,-2.4 2,-0.3 1,-0.2 -1,-0.1 0.871 86.5 -1.0 -70.5 -36.2 13.4 15.6 -1.6 45 859 A H S S- 0 0 125 -26,-0.5 -1,-0.2 -3,-0.0 2,-0.0 -0.959 93.0 -76.4-145.7 166.8 16.8 14.5 -3.0 46 860 A S + 0 0 110 -2,-0.3 -2,-0.0 -3,-0.1 0, 0.0 -0.339 52.9 154.1 -62.7 142.2 19.1 11.3 -3.0 47 861 A G > - 0 0 15 1,-0.1 4,-0.8 -2,-0.0 -4,-0.1 -0.915 39.3-140.9-164.3 152.1 21.0 10.5 0.2 48 862 A P H > S+ 0 0 111 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.866 104.6 43.0 -93.4 -42.8 22.3 7.0 1.3 49 863 A D H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.877 116.1 49.8 -66.2 -39.0 21.4 7.4 5.0 50 864 A Q H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.869 108.6 53.1 -67.9 -37.3 18.1 9.0 4.2 51 865 A Q H X S+ 0 0 39 -4,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.892 108.5 49.2 -63.5 -44.4 17.3 6.1 1.7 52 866 A R H X S+ 0 0 115 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.936 114.2 46.0 -58.4 -48.7 18.0 3.5 4.4 53 867 A D H X S+ 0 0 50 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.878 110.1 54.8 -62.5 -38.2 15.7 5.4 6.8 54 868 A F H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.905 105.9 50.3 -65.2 -43.6 13.0 5.8 4.1 55 869 A Q H X S+ 0 0 40 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.873 111.8 49.6 -59.9 -38.6 12.8 2.1 3.5 56 870 A R H X S+ 0 0 93 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.923 108.8 51.8 -66.0 -45.2 12.4 1.6 7.3 57 871 A E H X S+ 0 0 17 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.898 108.6 51.3 -55.2 -46.4 9.7 4.2 7.4 58 872 A I H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.911 110.0 49.3 -58.9 -42.8 7.7 2.5 4.6 59 873 A Q H X S+ 0 0 122 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.889 110.8 50.7 -69.1 -36.4 8.0 -0.9 6.5 60 874 A I H >< S+ 0 0 13 -4,-2.5 3,-0.6 2,-0.2 4,-0.3 0.980 114.9 41.4 -60.3 -57.5 6.7 0.7 9.7 61 875 A L H >< S+ 0 0 2 -4,-2.7 3,-2.0 1,-0.2 11,-0.3 0.917 109.8 58.4 -60.8 -42.1 3.7 2.4 8.0 62 876 A K H 3< S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.846 106.8 49.5 -54.0 -36.1 2.9 -0.7 5.9 63 877 A A T << S+ 0 0 57 -4,-1.3 2,-0.5 -3,-0.6 -1,-0.3 0.368 92.1 94.7 -88.0 3.3 2.6 -2.8 9.1 64 878 A L < + 0 0 12 -3,-2.0 2,-0.4 -4,-0.3 8,-0.4 -0.860 44.9 174.7-100.0 128.2 0.2 -0.2 10.8 65 879 A H + 0 0 147 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.837 27.1 125.9-133.7 97.1 -3.6 -0.8 10.5 66 880 A S > - 0 0 30 3,-0.4 3,-1.4 -2,-0.4 -2,-0.0 -0.996 64.9-125.5-152.5 146.8 -5.6 1.6 12.6 67 881 A D T 3 S+ 0 0 113 -2,-0.3 4,-0.1 1,-0.2 55,-0.1 0.663 116.3 50.8 -60.2 -19.4 -8.5 4.1 12.2 68 882 A F T 3 S+ 0 0 35 82,-0.1 83,-3.1 2,-0.1 2,-0.4 0.169 98.5 73.7-111.4 15.1 -6.0 6.6 13.8 69 883 A I B < S-f 151 0B 3 -3,-1.4 -3,-0.4 81,-0.3 83,-0.2 -0.999 93.2-102.3-126.7 131.8 -3.0 6.0 11.5 70 884 A V - 0 0 3 81,-2.7 2,-0.4 -2,-0.4 -6,-0.1 -0.193 46.7-102.4 -51.8 138.4 -3.0 7.3 7.9 71 885 A K - 0 0 94 -4,-0.1 18,-2.2 -6,-0.1 2,-0.3 -0.545 26.2-138.5 -73.1 120.2 -3.7 4.4 5.4 72 886 A Y E + E 0 88A 38 -2,-0.4 16,-0.2 -8,-0.4 3,-0.1 -0.604 23.3 176.8 -66.2 130.4 -0.7 3.0 3.5 73 887 A R E - 0 0 111 14,-3.3 2,-0.3 1,-0.4 15,-0.2 0.757 47.2 -83.4-104.8 -39.2 -1.6 2.4 -0.1 74 888 A G E - E 0 87A 0 13,-1.9 13,-3.2 2,-0.0 -1,-0.4 -0.990 39.9 -83.1 165.1-162.1 1.6 1.1 -1.6 75 889 A V E -aE 2 86A 4 -74,-2.3 -72,-2.5 -2,-0.3 2,-0.4 -0.946 15.9-143.2-135.5 155.2 5.0 2.1 -3.1 76 890 A S E - E 0 85A 0 9,-2.0 8,-2.6 -2,-0.3 9,-2.1 -0.965 25.8-161.3-113.5 143.9 6.5 3.1 -6.5 77 891 A Y E + E 0 83A 102 -74,-0.4 -72,-0.3 -2,-0.4 6,-0.2 -0.549 21.2 176.9-110.9 172.4 9.9 1.9 -7.4 78 892 A G S S+ 0 0 54 4,-1.5 2,-0.4 1,-0.4 -1,-0.1 0.448 74.4 20.4-140.3 -55.3 12.8 2.8 -9.8 79 893 A P S S- 0 0 78 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 -0.999 109.9 -76.2-111.8 132.5 16.0 0.8 -9.7 80 894 A G S S+ 0 0 80 -2,-0.4 3,-0.0 1,-0.3 -3,-0.0 -0.549 114.3 8.3 -95.4 134.5 15.2 -2.5 -8.0 81 895 A R S S+ 0 0 159 -2,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.103 99.6 118.8-109.4 101.2 14.8 -2.9 -5.2 82 896 A Q - 0 0 65 -3,-0.1 -4,-1.5 -27,-0.0 2,-0.3 -0.934 54.8-141.3-132.6 106.4 14.9 0.8 -4.6 83 897 A S E + E 0 77A 20 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.533 23.0 175.9 -65.9 123.2 11.7 2.3 -3.1 84 898 A L E + 0 0 58 -8,-2.6 -41,-0.5 -2,-0.3 2,-0.3 0.834 60.4 14.2 -97.4 -44.3 11.1 5.7 -4.7 85 899 A R E - E 0 76A 59 -9,-2.1 -9,-2.0 -43,-0.1 2,-0.5 -0.989 57.5-139.6-142.6 144.4 7.8 6.8 -3.2 86 900 A L E -DE 41 75A 0 -45,-2.8 -45,-3.1 -2,-0.3 2,-0.5 -0.904 23.9-151.4 -99.7 123.4 5.4 6.0 -0.4 87 901 A V E +DE 40 74A 0 -13,-3.2 -14,-3.3 -2,-0.5 -13,-1.9 -0.866 22.2 167.9-103.9 123.3 1.7 6.2 -1.5 88 902 A M E -DE 39 72A 6 -49,-3.4 -49,-2.7 -2,-0.5 -16,-0.2 -0.814 42.5 -81.2-123.7 163.0 -0.9 7.0 1.1 89 903 A E E -D 38 0A 14 -18,-2.2 2,-0.5 -2,-0.3 -51,-0.2 -0.349 43.8-128.0 -58.0 144.5 -4.5 8.0 1.2 90 904 A Y - 0 0 58 -53,-0.6 -53,-0.1 -20,-0.0 -1,-0.1 -0.908 21.7-171.9 -99.0 126.8 -5.2 11.7 0.5 91 905 A L > - 0 0 17 -2,-0.5 3,-1.9 1,-0.1 52,-0.2 -0.944 10.5-157.0-120.1 103.1 -7.4 13.4 3.0 92 906 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.688 83.9 71.5 -62.0 -24.0 -8.2 16.9 1.7 93 907 A S T 3 S- 0 0 46 50,-0.5 51,-0.1 1,-0.2 6,-0.1 0.735 90.4-173.1 -65.8 -19.0 -9.0 18.6 5.0 94 908 A G < + 0 0 21 -3,-1.9 49,-2.6 49,-0.4 -1,-0.2 -0.152 32.1 16.2 75.7-153.3 -5.2 18.3 5.5 95 909 A C B > -G 142 0B 35 47,-0.2 4,-2.6 -81,-0.2 47,-0.3 -0.274 60.0-134.4 -69.3 139.0 -3.1 19.1 8.5 96 910 A L H > S+ 0 0 0 45,-3.0 4,-2.9 42,-0.6 5,-0.3 0.858 105.0 59.8 -60.3 -37.0 -4.7 19.5 12.0 97 911 A R H > S+ 0 0 113 41,-0.8 4,-1.7 44,-0.3 -1,-0.2 0.955 112.2 38.5 -54.5 -52.4 -2.6 22.6 12.7 98 912 A D H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.925 115.5 53.6 -61.7 -48.3 -4.1 24.4 9.6 99 913 A F H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.886 109.0 48.0 -58.2 -45.3 -7.6 22.9 10.3 100 914 A L H X S+ 0 0 0 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.891 110.8 50.9 -63.2 -44.5 -7.7 24.2 13.9 101 915 A Q H < S+ 0 0 62 -4,-1.7 3,-0.3 -5,-0.3 -2,-0.2 0.907 116.7 41.2 -58.0 -43.8 -6.6 27.7 12.9 102 916 A R H < S+ 0 0 162 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.884 123.0 34.9 -73.7 -41.8 -9.3 27.9 10.2 103 917 A H H >X S+ 0 0 39 -4,-2.4 3,-2.1 -5,-0.2 4,-1.3 0.173 78.8 124.1-107.8 15.5 -12.3 26.3 12.0 104 918 A R G >< S+ 0 0 113 -4,-0.6 3,-0.6 -3,-0.3 -1,-0.2 0.834 73.0 48.7 -35.1 -56.1 -11.5 27.6 15.4 105 919 A A G 34 S+ 0 0 113 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.552 113.3 49.3 -73.9 -8.0 -14.8 29.4 16.0 106 920 A R G <4 S+ 0 0 175 -3,-2.1 2,-0.6 1,-0.1 -1,-0.2 0.632 96.0 77.0-102.7 -20.7 -16.7 26.2 14.9 107 921 A L << - 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0 0 15 -2,-0.4 4,-1.8 -25,-0.2 3,-0.6 -0.925 64.7 -84.5-157.3 176.5 11.1 6.3 24.3 192 1006 A R H 3> S+ 0 0 56 -27,-0.5 4,-1.1 -2,-0.3 78,-0.1 0.772 128.5 57.5 -61.9 -24.7 7.4 5.9 24.3 193 1007 A Q H 3> S+ 0 0 47 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.769 101.6 52.3 -80.6 -25.7 7.4 8.0 27.5 194 1008 A S H <> S+ 0 0 3 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.830 105.5 57.2 -73.0 -30.6 9.1 10.9 25.6 195 1009 A D H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.879 102.9 54.0 -60.1 -37.4 6.2 10.5 23.1 196 1010 A V H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.914 105.5 52.6 -63.5 -41.9 3.9 11.1 26.1 197 1011 A W H >X S+ 0 0 5 -4,-1.4 4,-1.3 1,-0.2 3,-0.5 0.951 111.0 47.3 -53.7 -51.3 5.7 14.3 26.9 198 1012 A S H 3X S+ 0 0 10 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.850 105.1 59.2 -62.3 -35.4 5.2 15.4 23.3 199 1013 A F H 3X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.856 99.6 57.5 -62.2 -36.2 1.5 14.4 23.4 200 1014 A G H S+ 0 0 7 -4,-2.6 5,-2.8 1,-0.2 3,-0.3 0.897 110.8 48.9 -58.6 -44.6 -1.6 22.8 20.5 206 1020 A L H ><5S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.935 112.7 46.0 -60.5 -48.4 -5.2 21.6 20.4 207 1021 A F H 3<5S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.568 114.3 47.5 -82.1 -7.6 -6.5 23.8 23.2 208 1022 A T T ><5S- 0 0 5 -4,-1.1 3,-1.8 -3,-0.3 -1,-0.3 0.313 108.6-126.7 -99.0 3.3 -4.7 26.9 21.7 209 1023 A Y T < 5 - 0 0 34 -3,-1.4 -3,-0.2 1,-0.3 3,-0.1 0.817 62.2 -71.1 49.2 35.1 -6.1 25.9 18.3 210 1024 A C T 3 S+ 0 0 148 -2,-0.2 3,-1.2 1,-0.2 6,-0.3 0.850 93.5 63.2 -66.4 -33.0 0.7 31.3 16.6 213 1027 A S G 3 S+ 0 0 95 1,-0.3 -1,-0.2 5,-0.1 -2,-0.0 0.766 118.1 26.0 -68.3 -26.3 0.8 34.1 19.3 214 1028 A C G < S+ 0 0 24 -3,-0.6 -1,-0.3 -6,-0.1 -2,-0.2 0.025 91.8 139.7-122.2 27.0 0.7 31.5 22.2 215 1029 A S S <> S- 0 0 21 -3,-1.2 4,-3.0 -5,-0.1 5,-0.4 -0.152 71.4-100.2 -64.7 161.1 2.4 28.6 20.3 216 1030 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.902 125.3 44.1 -52.2 -39.6 4.9 26.4 22.1 217 1031 A S H > S+ 0 0 45 2,-0.2 4,-2.5 3,-0.2 5,-0.3 0.959 115.5 45.6 -68.2 -52.4 7.7 28.3 20.3 218 1032 A A H > S+ 0 0 35 -6,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.927 120.3 39.9 -56.7 -47.4 6.3 31.8 20.8 219 1033 A E H X S+ 0 0 20 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.918 115.8 47.7 -75.8 -44.2 5.5 31.2 24.5 220 1034 A F H X S+ 0 0 11 -4,-2.2 4,-2.4 -5,-0.4 -1,-0.2 0.942 113.5 49.6 -60.2 -44.0 8.6 29.2 25.5 221 1035 A L H < S+ 0 0 94 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.923 111.1 49.8 -62.5 -42.3 10.8 31.8 23.8 222 1036 A R H < S+ 0 0 177 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.900 113.8 45.5 -61.0 -42.0 9.0 34.6 25.6 223 1037 A M H < 0 0 41 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.811 360.0 360.0 -69.0 -32.2 9.4 32.7 28.9 224 1038 A M < 0 0 55 -4,-2.4 8,-0.1 -5,-0.2 4,-0.0 -0.235 360.0 360.0 -69.0 360.0 13.1 32.0 28.2 225 ! 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 0.0 226 1044 A V 0 0 97 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.8 23.5 30.4 27.3 227 1045 A P > - 0 0 87 0, 0.0 4,-2.5 0, 0.0 3,-0.4 -0.427 360.0-110.3 -71.4 153.0 22.3 28.6 24.1 228 1046 A A H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.834 117.1 52.0 -51.1 -44.1 18.5 28.3 23.6 229 1047 A L H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.903 111.4 47.0 -63.0 -42.1 18.4 24.5 24.2 230 1048 A S H > S+ 0 0 52 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.898 112.3 50.6 -66.8 -40.5 20.3 24.9 27.5 231 1049 A R H X S+ 0 0 99 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.891 112.5 46.4 -61.2 -43.4 17.9 27.8 28.5 232 1050 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.932 113.3 48.7 -64.5 -47.3 14.8 25.6 27.6 233 1051 A L H X S+ 0 0 22 -4,-2.7 4,-3.2 2,-0.2 -2,-0.2 0.942 113.3 48.6 -55.7 -49.2 16.3 22.6 29.5 234 1052 A E H X S+ 0 0 106 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.947 110.7 49.5 -52.9 -56.5 17.0 25.0 32.5 235 1053 A L H <>S+ 0 0 8 -4,-2.7 5,-2.0 1,-0.2 -1,-0.2 0.904 115.3 44.6 -49.4 -48.6 13.5 26.4 32.4 236 1054 A L H ><5S+ 0 0 6 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.886 109.0 55.6 -66.3 -40.0 12.1 22.9 32.3 237 1055 A E H 3<5S+ 0 0 132 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.820 103.7 55.2 -66.1 -28.7 14.5 21.6 35.0 238 1056 A E T 3<5S- 0 0 135 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.496 123.8-107.1 -76.8 -6.1 13.2 24.3 37.4 239 1057 A G T < 5 + 0 0 47 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.553 68.9 147.5 90.1 9.2 9.7 23.1 36.8 240 1058 A Q < + 0 0 80 -5,-2.0 -1,-0.3 -6,-0.2 2,-0.3 -0.582 22.4 178.7 -74.5 143.4 8.4 25.9 34.6 241 1059 A R - 0 0 46 -2,-0.2 3,-0.1 1,-0.0 16,-0.0 -0.901 39.2 -75.3-139.5 161.6 5.9 24.7 32.0 242 1060 A L - 0 0 3 -2,-0.3 2,-0.1 1,-0.1 -22,-0.0 -0.345 61.4-106.4 -54.3 143.8 3.8 26.2 29.2 243 1061 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -24,-0.0 -0.367 41.1 -85.5 -75.9 152.9 0.8 28.1 30.8 244 1062 A A - 0 0 45 1,-0.1 3,-0.1 -3,-0.1 6,-0.1 -0.360 56.5-105.5 -51.3 130.8 -2.7 26.7 30.6 245 1063 A P > - 0 0 4 0, 0.0 3,-2.4 0, 0.0 -37,-0.1 -0.252 48.1 -78.4 -52.5 149.6 -4.3 27.8 27.3 246 1064 A P T 3 S+ 0 0 102 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.335 119.4 2.2 -50.0 126.9 -6.9 30.6 27.4 247 1065 A A T 3 S+ 0 0 109 1,-0.2 3,-0.1 -3,-0.1 -39,-0.0 0.553 91.9 165.1 66.4 14.1 -10.2 29.0 28.5 248 1066 A C < - 0 0 22 -3,-2.4 -1,-0.2 1,-0.1 2,-0.1 -0.350 45.3-110.7 -62.8 132.4 -8.5 25.6 29.0 249 1067 A P > - 0 0 34 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.452 25.6-127.3 -58.3 136.8 -10.7 23.2 31.0 250 1068 A A H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 107.0 55.9 -53.6 -42.3 -8.9 22.6 34.3 251 1069 A E H > S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.858 107.5 48.6 -62.3 -39.0 -8.9 18.8 34.0 252 1070 A V H > S+ 0 0 1 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.918 109.4 51.6 -68.6 -45.2 -7.1 19.0 30.6 253 1071 A H H X S+ 0 0 39 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.921 108.7 52.0 -58.0 -44.5 -4.5 21.3 31.9 254 1072 A E H X S+ 0 0 95 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.895 107.9 52.5 -57.8 -39.9 -3.9 18.9 34.8 255 1073 A L H X S+ 0 0 8 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.920 107.9 50.7 -63.3 -42.9 -3.5 16.1 32.2 256 1074 A M H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.928 107.5 53.8 -54.7 -49.6 -0.9 18.1 30.3 257 1075 A K H < S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.861 108.4 49.1 -57.4 -38.1 1.1 18.7 33.5 258 1076 A L H >< S+ 0 0 89 -4,-1.7 3,-1.6 1,-0.2 -1,-0.2 0.888 107.4 54.1 -68.4 -40.5 1.1 14.9 34.1 259 1077 A C H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.815 107.2 55.4 -58.4 -31.8 2.4 14.3 30.6 260 1078 A W T 3< S+ 0 0 4 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.014 73.7 147.8 -95.1 27.7 5.1 16.8 31.4 261 1079 A A < - 0 0 14 -3,-1.6 6,-0.1 1,-0.1 -3,-0.1 -0.378 55.8-124.2 -54.3 136.0 6.4 14.9 34.6 262 1080 A P S S+ 0 0 93 0, 0.0 -79,-0.2 0, 0.0 -1,-0.1 0.898 96.2 56.0 -52.4 -41.4 10.2 15.6 34.8 263 1081 A S S >> S- 0 0 36 1,-0.1 3,-1.9 -81,-0.1 4,-0.6 -0.793 81.6-135.6-101.6 128.3 11.0 11.9 34.9 264 1082 A P G >4 S+ 0 0 29 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.816 102.5 60.1 -48.1 -35.1 9.8 9.5 32.0 265 1083 A Q G 34 S+ 0 0 143 1,-0.2 -4,-0.0 -3,-0.0 0, 0.0 0.721 101.7 52.4 -68.1 -25.5 8.6 6.9 34.6 266 1084 A D G <4 S+ 0 0 112 -3,-1.9 -1,-0.2 2,-0.1 -5,-0.0 0.496 85.8 100.1 -94.0 -4.6 6.2 9.2 36.3 267 1085 A R S << S- 0 0 7 -3,-1.0 -8,-0.2 -4,-0.6 -9,-0.1 -0.577 83.1-106.9 -75.6 142.7 4.3 10.2 33.1 268 1086 A P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.290 33.7-110.8 -66.2 157.3 1.1 8.4 32.5 269 1087 A S > - 0 0 48 1,-0.1 4,-2.5 -73,-0.0 5,-0.2 -0.504 20.4-118.2 -78.2 155.7 0.9 5.7 29.8 270 1088 A F H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 -146,-0.2 0.859 119.9 60.4 -58.7 -35.5 -1.2 6.3 26.7 271 1089 A S H 4 S+ 0 0 67 1,-0.2 -1,-0.2 2,-0.2 -147,-0.0 0.926 110.1 39.9 -54.6 -45.6 -3.1 3.3 27.9 272 1090 A A H > S+ 0 0 42 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.850 113.2 54.3 -74.6 -37.3 -4.0 5.3 31.1 273 1091 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.860 97.2 66.5 -63.7 -38.2 -4.6 8.6 29.4 274 1092 A G H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.925 101.8 43.4 -54.1 -57.7 -7.2 7.2 26.9 275 1093 A P H > S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.879 114.0 53.5 -54.2 -40.0 -9.9 6.4 29.4 276 1094 A Q H X S+ 0 0 86 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.897 109.9 46.9 -64.1 -41.6 -9.3 9.8 31.2 277 1095 A L H < S+ 0 0 4 -4,-2.6 -1,-0.2 2,-0.2 -160,-0.2 0.893 112.1 50.2 -65.3 -41.1 -9.7 11.6 27.9 278 1096 A D H < S+ 0 0 89 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.864 107.8 54.6 -65.5 -35.4 -12.9 9.7 27.0 279 1097 A M H < 0 0 109 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.914 360.0 360.0 -62.1 -43.9 -14.3 10.5 30.5 280 1098 A L < 0 0 74 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.888 360.0 360.0 -68.0 360.0 -13.8 14.2 29.9