==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-AUG-09 3IOK . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.J.ZUCCOLA,M.W.LEDEBOER,A.C.PIERCE . 287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 1 1 1 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 2 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 1 842 A T 0 0 165 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.8 -7.0 7.7 -1.4 2 843 A Q - 0 0 140 71,-0.1 2,-0.5 73,-0.0 73,-0.1 -0.457 360.0-143.8 -91.5 156.4 -7.0 8.8 2.3 3 844 A F - 0 0 22 71,-0.7 2,-0.5 -2,-0.1 73,-0.3 -0.959 12.7-146.1-119.5 112.9 -4.5 8.2 5.1 4 845 A E > - 0 0 103 -2,-0.5 3,-1.4 1,-0.1 4,-0.4 -0.659 8.0-144.8 -78.3 125.3 -5.9 7.7 8.6 5 846 A E G > S+ 0 0 100 -2,-0.5 3,-1.1 71,-0.3 -1,-0.1 0.801 97.7 62.6 -58.8 -33.3 -3.5 9.1 11.3 6 847 A R G 3 S+ 0 0 184 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.755 102.7 51.2 -65.2 -25.4 -4.4 6.3 13.7 7 848 A H G < S+ 0 0 19 -3,-1.4 20,-2.7 2,-0.1 2,-0.8 0.427 82.3 102.2 -95.1 -2.3 -3.0 3.7 11.2 8 849 A L E < -A 26 0A 19 -3,-1.1 2,-0.6 -4,-0.4 18,-0.2 -0.763 60.1-159.9 -80.0 111.1 0.4 5.4 10.7 9 850 A K E -A 25 0A 70 16,-3.1 16,-2.7 -2,-0.8 2,-0.1 -0.860 14.2-129.1 -98.0 117.9 2.8 3.4 12.8 10 851 A F E +A 24 0A 118 -2,-0.6 14,-0.2 14,-0.2 3,-0.1 -0.361 35.7 163.0 -59.4 136.3 6.1 5.2 13.7 11 852 A L E - 0 0 73 12,-2.6 2,-0.3 1,-0.3 13,-0.2 0.655 59.0 -16.2-120.3 -46.9 9.2 3.2 12.9 12 853 A Q E -A 23 0A 108 11,-1.6 11,-3.5 0, 0.0 2,-0.4 -0.979 57.8-110.1-163.6 144.2 12.2 5.5 12.9 13 854 A Q E -A 22 0A 96 -2,-0.3 9,-0.2 9,-0.2 3,-0.1 -0.685 30.3-174.0 -75.4 133.5 13.2 9.2 12.7 14 855 A L E - 0 0 68 7,-2.8 2,-0.3 1,-0.4 8,-0.2 0.806 51.1 -48.3-100.8 -38.7 14.8 9.8 9.4 15 856 A G E -A 21 0A 27 6,-1.6 6,-2.8 2,-0.0 -1,-0.4 -0.943 41.7-117.6 175.3 164.2 16.0 13.4 9.6 16 857 A K E A 20 0A 115 -2,-0.3 4,-0.2 4,-0.2 -3,-0.0 -0.890 360.0 360.0-118.0 153.0 15.3 17.0 10.5 17 858 A G 0 0 92 2,-2.6 3,-0.0 -2,-0.3 -1,-0.0 -0.276 360.0 360.0-132.5 360.0 15.3 20.1 8.2 18 ! 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 19 861 A G 0 0 34 0, 0.0 -2,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-151.4 10.2 20.2 10.0 20 862 A S E -AB 16 41A 6 21,-2.2 21,-2.3 -4,-0.2 2,-0.4 -0.810 360.0-145.3-116.7 156.7 11.0 16.5 10.5 21 863 A V E -AB 15 40A 36 -6,-2.8 -7,-2.8 -2,-0.3 -6,-1.6 -0.982 19.6-174.0-123.9 128.7 10.8 13.4 8.4 22 864 A E E -AB 13 39A 39 17,-2.7 17,-2.7 -2,-0.4 2,-0.5 -0.917 26.3-124.8-125.0 147.9 9.9 9.9 9.8 23 865 A M E +AB 12 38A 34 -11,-3.5 -12,-2.6 -2,-0.3 -11,-1.6 -0.815 41.9 172.2 -86.9 126.8 9.7 6.4 8.5 24 866 A C E -AB 10 37A 6 13,-2.7 13,-3.3 -2,-0.5 2,-0.6 -0.965 33.0-133.1-136.0 150.7 6.2 5.0 9.2 25 867 A R E -AB 9 36A 64 -16,-2.7 -16,-3.1 -2,-0.3 2,-1.2 -0.939 16.8-144.4-101.2 120.8 4.2 1.9 8.3 26 868 A Y E +AB 8 35A 32 9,-3.3 9,-0.8 -2,-0.6 -18,-0.2 -0.749 34.4 167.7 -81.6 99.6 0.7 2.7 7.0 27 869 A D > + 0 0 0 -20,-2.7 3,-1.1 -2,-1.2 5,-0.2 -0.630 19.1 153.7-124.1 71.4 -0.9 -0.4 8.6 28 870 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -20,-0.1 0.725 79.2 60.0 -71.2 -20.8 -4.7 -0.3 8.6 29 871 A L T 3 S- 0 0 130 -3,-0.2 -2,-0.1 -22,-0.1 -3,-0.0 0.544 101.5-139.9 -80.2 -7.8 -4.9 -4.1 8.7 30 872 A Q S < S+ 0 0 122 -3,-1.1 -3,-0.0 1,-0.1 -1,-0.0 0.750 74.2 106.0 56.2 31.5 -3.0 -3.9 12.0 31 873 A D S S- 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.001 93.1-109.4-127.6 27.5 -0.8 -6.9 11.1 32 874 A N S S+ 0 0 100 -5,-0.2 -6,-0.0 1,-0.1 -5,-0.0 0.606 93.2 106.4 54.7 20.4 2.5 -5.1 10.3 33 875 A T + 0 0 98 -8,-0.0 -1,-0.1 2,-0.0 3,-0.1 0.380 49.3 116.4-103.1 1.4 2.2 -5.8 6.6 34 876 A G S S- 0 0 18 1,-0.1 2,-0.2 -9,-0.1 -7,-0.2 -0.046 75.4 -76.6 -66.8 172.4 1.3 -2.3 5.5 35 877 A E E -B 26 0A 106 -9,-0.8 -9,-3.3 -10,-0.1 2,-0.5 -0.492 37.7-128.4 -74.2 135.8 3.4 -0.0 3.2 36 878 A V E +B 25 0A 32 -11,-0.3 53,-0.7 -2,-0.2 2,-0.3 -0.741 39.9 170.6 -82.2 124.2 6.4 1.8 4.6 37 879 A V E -BC 24 88A 0 -13,-3.3 -13,-2.7 -2,-0.5 2,-0.4 -0.808 35.0-114.5-128.2 167.0 6.2 5.5 3.8 38 880 A A E -BC 23 87A 9 49,-2.5 49,-3.1 -2,-0.3 2,-0.5 -0.903 29.0-161.1-102.8 136.4 8.0 8.7 4.6 39 881 A V E -BC 22 86A 0 -17,-2.7 -17,-2.7 -2,-0.4 2,-0.5 -0.976 3.2-162.4-124.3 123.5 6.0 11.3 6.6 40 882 A K E +BC 21 85A 13 45,-2.8 45,-2.7 -2,-0.5 2,-0.3 -0.914 17.2 166.5-106.1 128.0 6.9 14.9 6.8 41 883 A K E -BC 20 84A 59 -21,-2.3 -21,-2.2 -2,-0.5 2,-0.3 -0.919 37.3 -99.1-134.5 162.4 5.5 17.1 9.5 42 884 A L - 0 0 23 41,-0.5 3,-0.4 -2,-0.3 8,-0.0 -0.590 13.8-154.8 -81.5 138.7 6.2 20.6 10.9 43 885 A Q S S+ 0 0 117 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.891 98.6 25.0 -73.9 -42.0 8.2 21.0 14.1 44 886 A H S S- 0 0 128 -3,-0.1 2,-2.2 2,-0.0 -1,-0.3 -0.787 78.3-168.1-124.5 85.2 6.5 24.3 14.8 45 887 A S + 0 0 24 -2,-0.4 2,-0.1 -3,-0.4 -3,-0.0 -0.438 25.3 157.4 -80.9 71.6 3.1 24.3 13.1 46 888 A T > - 0 0 71 -2,-2.2 4,-2.4 1,-0.1 5,-0.2 -0.222 57.5 -94.9 -81.7 178.5 2.2 28.0 13.4 47 889 A E H > S+ 0 0 181 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.882 123.8 43.0 -65.3 -40.9 -0.3 29.8 11.1 48 890 A E H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.917 116.7 46.5 -72.3 -44.5 2.4 31.2 8.7 49 891 A H H > S+ 0 0 81 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.904 110.5 53.2 -62.4 -44.8 4.4 27.9 8.5 50 892 A L H X S+ 0 0 25 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.860 109.1 49.8 -58.3 -39.4 1.2 25.9 8.0 51 893 A R H X S+ 0 0 156 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.870 113.3 45.9 -66.0 -40.7 0.2 28.2 5.1 52 894 A D H X S+ 0 0 53 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.858 111.9 52.5 -68.7 -37.8 3.7 27.8 3.6 53 895 A F H X S+ 0 0 3 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.885 105.7 52.6 -68.2 -41.6 3.6 24.0 4.1 54 896 A E H X S+ 0 0 55 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.862 109.5 50.2 -63.3 -35.1 0.2 23.6 2.3 55 897 A R H X S+ 0 0 73 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.895 108.6 52.3 -67.3 -41.3 1.7 25.5 -0.7 56 898 A E H X S+ 0 0 20 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.893 108.5 51.1 -56.8 -44.1 4.8 23.1 -0.6 57 899 A I H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.907 109.4 49.3 -63.1 -43.4 2.4 20.2 -0.6 58 900 A E H X S+ 0 0 93 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.858 110.3 52.7 -63.3 -38.2 0.5 21.6 -3.7 59 901 A I H < S+ 0 0 12 -4,-2.3 3,-0.5 2,-0.2 4,-0.4 0.965 111.7 44.1 -58.7 -53.1 3.9 22.1 -5.4 60 902 A L H >< S+ 0 0 3 -4,-2.5 3,-1.1 1,-0.2 11,-0.3 0.841 110.3 55.1 -64.2 -35.4 5.0 18.5 -4.8 61 903 A K H 3< S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.819 103.9 55.8 -68.2 -31.2 1.6 17.1 -5.9 62 904 A S T 3< S+ 0 0 42 -4,-1.4 2,-0.5 -3,-0.5 -1,-0.2 0.550 95.1 86.8 -74.6 -9.0 1.9 19.0 -9.2 63 905 A L < + 0 0 9 -3,-1.1 8,-0.3 -4,-0.4 2,-0.3 -0.820 45.3 168.5-104.1 126.9 5.2 17.2 -9.9 64 906 A Q + 0 0 132 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.816 25.3 128.7-137.6 99.9 5.5 13.9 -11.6 65 907 A H > - 0 0 48 3,-0.4 3,-1.9 -2,-0.3 56,-0.0 -0.991 64.2-116.6-151.2 146.9 9.0 12.9 -12.7 66 908 A D T 3 S+ 0 0 99 -2,-0.3 4,-0.1 1,-0.3 -1,-0.0 0.738 117.7 46.1 -57.3 -24.3 11.4 9.9 -12.3 67 909 A N T 3 S+ 0 0 10 50,-0.1 83,-3.0 82,-0.1 2,-0.4 0.044 97.4 81.6-112.7 25.8 13.8 12.2 -10.4 68 910 A I B < S-e 150 0B 2 -3,-1.9 -3,-0.4 81,-0.3 83,-0.2 -1.000 90.0-106.0-127.6 127.5 11.3 13.9 -8.1 69 911 A V - 0 0 2 81,-2.5 2,-0.3 -2,-0.4 -6,-0.1 -0.183 43.8-106.3 -52.1 141.3 10.1 12.1 -4.9 70 912 A K - 0 0 97 -4,-0.1 18,-1.7 -6,-0.1 2,-0.3 -0.579 21.6-135.4 -81.2 130.5 6.5 10.8 -5.3 71 913 A Y E +D 87 0A 65 -8,-0.3 16,-0.2 -2,-0.3 3,-0.1 -0.641 25.3 174.0 -75.5 135.4 3.6 12.4 -3.5 72 914 A K E - 0 0 67 14,-2.8 2,-0.3 1,-0.4 15,-0.2 0.715 48.8 -75.1-111.6 -38.9 1.3 9.8 -1.8 73 915 A G E -D 86 0A 3 13,-1.6 13,-2.9 2,-0.0 -1,-0.4 -0.987 41.3 -85.3 166.6-168.4 -1.2 11.9 0.2 74 916 A V E -D 85 0A 10 -2,-0.3 -71,-0.7 11,-0.2 2,-0.5 -0.974 18.7-143.5-135.0 143.4 -1.9 14.0 3.2 75 917 A C E -D 84 0A 2 9,-2.7 9,-1.9 -2,-0.3 2,-0.4 -0.952 19.8-157.3-105.4 121.8 -2.9 13.3 6.8 76 918 A Y E -D 83 0A 117 -2,-0.5 2,-0.3 -73,-0.3 -71,-0.3 -0.807 3.2-147.9 -98.3 140.5 -5.3 15.8 8.3 77 919 A S > - 0 0 44 5,-1.6 4,-0.6 -2,-0.4 5,-0.0 -0.847 26.9-102.6-103.7 146.5 -5.7 16.3 12.1 78 920 A A T 4 S- 0 0 99 -2,-0.3 2,-0.9 3,-0.1 4,-0.2 -0.272 86.3 -3.3 -64.6 147.4 -9.0 17.3 13.7 79 921 A G T 4 S+ 0 0 82 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.622 131.3 39.0 79.7-101.2 -9.6 20.9 14.9 80 922 A R T 4 S- 0 0 148 -2,-0.9 -1,-0.2 1,-0.1 -2,-0.1 0.608 100.8-128.9 -62.5 -16.9 -6.4 23.1 14.4 81 923 A R < - 0 0 105 -4,-0.6 2,-0.2 -3,-0.2 -3,-0.1 0.969 34.4-179.1 66.1 58.7 -5.8 21.3 11.0 82 924 A N - 0 0 17 -4,-0.2 -5,-1.6 -5,-0.0 2,-0.4 -0.588 17.3-137.8 -79.3 153.2 -2.1 20.2 11.3 83 925 A L E - D 0 76A 1 -2,-0.2 -41,-0.5 -7,-0.2 2,-0.4 -0.946 18.4-167.2-124.8 135.9 -0.8 18.4 8.2 84 926 A K E -CD 41 75A 28 -9,-1.9 -9,-2.7 -2,-0.4 2,-0.6 -0.983 18.0-145.4-112.9 129.8 1.4 15.4 7.5 85 927 A L E -CD 40 74A 1 -45,-2.7 -45,-2.8 -2,-0.4 2,-0.5 -0.862 12.1-151.7 -96.2 123.7 2.8 14.9 4.0 86 928 A I E +CD 39 73A 0 -13,-2.9 -14,-2.8 -2,-0.6 -13,-1.6 -0.859 22.6 168.5-101.7 125.3 3.0 11.3 3.0 87 929 A M E -CD 38 71A 13 -49,-3.1 -49,-2.5 -2,-0.5 -16,-0.2 -0.838 42.2 -82.0-128.4 163.6 5.7 10.3 0.4 88 930 A E E -C 37 0A 26 -18,-1.7 2,-0.6 -2,-0.3 -51,-0.2 -0.385 47.5-118.4 -57.5 141.9 7.3 7.2 -1.0 89 931 A Y - 0 0 66 -53,-0.7 -1,-0.1 -65,-0.1 -53,-0.1 -0.820 20.6-154.6 -84.6 121.7 10.1 5.9 1.2 90 932 A L > - 0 0 9 -2,-0.6 3,-1.8 1,-0.1 52,-0.3 -0.865 8.7-156.1-100.5 103.9 13.4 5.9 -0.7 91 933 A P T 3 S+ 0 0 72 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 0.572 82.5 59.7 -68.6 -17.3 15.4 3.2 1.1 92 934 A Y T 3 S- 0 0 123 50,-1.5 51,-0.2 1,-0.2 52,-0.1 0.467 95.7-151.9 -88.7 -0.8 19.0 4.2 0.4 93 935 A G < + 0 0 26 -3,-1.8 49,-3.0 49,-0.4 -1,-0.2 -0.245 44.9 3.7 75.9-155.7 18.4 7.6 2.2 94 936 A S B > -F 141 0B 27 47,-0.2 4,-2.6 1,-0.1 47,-0.3 -0.443 57.8-135.2 -69.4 139.2 20.1 10.9 1.6 95 937 A L H > S+ 0 0 0 45,-2.8 4,-3.0 42,-0.5 5,-0.3 0.891 105.8 62.4 -56.3 -40.8 22.7 11.2 -1.2 96 938 A R H > S+ 0 0 79 41,-0.8 4,-1.1 44,-0.4 -1,-0.2 0.881 111.5 34.8 -53.5 -47.4 24.9 13.1 1.3 97 939 A D H > S+ 0 0 102 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.859 115.4 57.1 -75.6 -39.8 25.2 10.1 3.6 98 940 A Y H X S+ 0 0 22 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.884 111.5 41.9 -57.2 -42.3 25.1 7.6 0.7 99 941 A L H X S+ 0 0 0 -4,-3.0 4,-0.8 2,-0.2 -1,-0.2 0.807 112.8 53.6 -77.7 -31.1 28.2 9.2 -0.9 100 942 A Q H < S+ 0 0 62 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.780 111.8 46.9 -71.1 -28.1 30.0 9.6 2.4 101 943 A K H < S+ 0 0 161 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.789 123.2 30.6 -85.5 -32.8 29.5 5.9 3.1 102 944 A H H >< S+ 0 0 66 -4,-1.4 3,-1.8 1,-0.2 4,-0.5 0.270 84.5 172.7-110.9 7.6 30.6 4.6 -0.3 103 945 A K G >< S- 0 0 63 -4,-0.8 3,-1.1 1,-0.3 -1,-0.2 0.250 70.9 -4.4 20.0-118.6 33.2 7.4 -1.1 104 946 A E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 104,-0.0 4,-0.1 0.502 112.1 88.6 -81.7 -4.4 35.2 6.6 -4.3 105 947 A R G < S+ 0 0 192 -3,-1.8 2,-0.7 -6,-0.1 -1,-0.3 0.556 79.7 74.9 -66.0 -8.8 33.6 3.1 -4.7 106 948 A I S < S- 0 0 10 -3,-1.1 -1,-0.1 -4,-0.5 102,-0.0 -0.947 87.6-151.3-100.4 107.1 31.2 5.3 -6.7 107 949 A D >> - 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0 0 19 -3,-1.2 -3,-0.2 -4,-0.4 -105,-0.1 0.793 58.9 -71.1 54.6 33.4 32.5 13.0 -2.4 209 1051 A I T 3 S+ 0 0 160 1,-0.3 3,-1.2 -2,-0.2 6,-0.3 0.881 102.7 47.1 -53.7 -50.4 33.9 17.5 5.3 212 1054 A S G 3 S+ 0 0 55 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.588 114.0 50.4 -73.2 -10.3 37.0 19.7 5.0 213 1055 A K G < S+ 0 0 74 -3,-1.1 -1,-0.2 -6,-0.1 -2,-0.2 0.390 81.7 125.2-104.3 0.2 36.2 20.3 1.3 214 1056 A S S <> S- 0 0 25 -3,-1.2 4,-3.0 -4,-0.4 5,-0.2 -0.148 75.6-108.1 -61.4 153.8 32.6 21.4 1.8 215 1057 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.900 121.1 49.0 -47.5 -48.6 31.4 24.7 0.3 216 1058 A P H > S+ 0 0 39 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.948 113.4 47.2 -58.7 -44.3 31.1 26.2 3.9 217 1059 A A H > S+ 0 0 34 -6,-0.3 4,-1.8 1,-0.2 5,-0.1 0.932 116.6 43.2 -59.2 -46.7 34.6 25.0 4.8 218 1060 A E H X S+ 0 0 19 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.906 114.8 46.9 -71.8 -43.8 36.2 26.3 1.6 219 1061 A F H X S+ 0 0 9 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.870 110.9 52.9 -65.1 -38.8 34.4 29.7 1.5 220 1062 A M H X S+ 0 0 32 -4,-2.2 4,-1.8 -5,-0.3 7,-0.2 0.908 108.4 51.7 -62.3 -39.7 35.2 30.3 5.2 221 1063 A R H < S+ 0 0 130 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.926 111.2 47.6 -58.5 -45.2 38.9 29.6 4.4 222 1064 A M H < S+ 0 0 53 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.821 119.9 36.1 -71.3 -34.4 38.8 32.1 1.5 223 1065 A I H < S- 0 0 17 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.643 125.9 -95.0 -89.4 -15.5 37.2 34.9 3.5 224 1066 A G >< - 0 0 18 -4,-1.8 3,-2.3 -5,-0.2 -3,-0.2 0.389 20.1-111.8 102.9 122.5 39.0 34.0 6.7 225 1067 A N T 3 S+ 0 0 123 1,-0.3 -4,-0.1 -4,-0.2 -1,-0.1 0.517 111.2 72.2 -62.2 -4.1 37.7 31.8 9.6 226 1068 A D T 3 S+ 0 0 109 -6,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.552 72.0 105.5 -85.8 -11.8 37.5 35.0 11.8 227 1069 A K < - 0 0 45 -3,-2.3 2,-0.3 -7,-0.2 -3,-0.1 -0.560 53.9-172.8 -74.0 136.3 34.5 36.3 9.8 228 1070 A Q > - 0 0 160 -2,-0.2 3,-1.9 4,-0.0 4,-0.2 -0.967 36.9 -31.3-136.7 146.0 31.2 35.9 11.8 229 1071 A G T >> S+ 0 0 57 -2,-0.3 3,-2.0 1,-0.3 4,-0.7 -0.154 127.9 3.6 51.6-135.4 27.5 36.3 11.4 230 1072 A Q H 3> S+ 0 0 170 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.689 125.0 68.9 -53.9 -24.2 26.5 39.1 8.9 231 1073 A M H <> S+ 0 0 83 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.806 91.4 60.6 -67.3 -31.5 30.2 39.7 8.1 232 1074 A I H <> S+ 0 0 29 -3,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.953 106.0 46.3 -55.7 -50.6 30.3 36.3 6.4 233 1075 A V H X S+ 0 0 45 -4,-0.7 4,-2.3 1,-0.2 -2,-0.2 0.932 111.9 52.2 -59.3 -46.6 27.6 37.5 3.9 234 1076 A F H X S+ 0 0 114 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.912 115.3 39.3 -54.9 -48.9 29.4 40.8 3.4 235 1077 A H H X S+ 0 0 56 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.816 111.6 57.2 -77.8 -31.0 32.8 39.1 2.6 236 1078 A L H X S+ 0 0 2 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.920 107.1 50.1 -60.4 -44.8 31.3 36.3 0.6 237 1079 A I H X S+ 0 0 22 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.932 112.5 45.6 -61.2 -48.9 29.6 38.9 -1.7 238 1080 A E H X S+ 0 0 74 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.872 112.3 51.9 -65.8 -36.2 32.9 40.8 -2.3 239 1081 A L H <>S+ 0 0 36 -4,-2.3 5,-2.7 2,-0.2 3,-0.3 0.929 112.2 45.0 -62.1 -48.5 34.8 37.5 -2.9 240 1082 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.859 108.4 56.1 -66.3 -40.8 32.3 36.3 -5.5 241 1083 A K H 3<5S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.792 109.3 50.2 -56.4 -29.1 32.2 39.7 -7.2 242 1084 A N T 3<5S- 0 0 124 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.118 124.3-102.8-100.3 19.9 36.0 39.3 -7.5 243 1085 A N T < 5 + 0 0 115 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.610 63.9 156.9 65.4 19.1 35.9 35.8 -9.0 244 1086 A G < + 0 0 17 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.3 -0.610 21.0 169.8 -64.5 127.4 36.8 33.9 -5.9 245 1087 A R - 0 0 39 -2,-0.4 16,-0.0 -3,-0.1 -5,-0.0 -0.887 41.1 -82.5-137.0 164.6 35.4 30.4 -6.5 246 1088 A L - 0 0 2 -2,-0.3 -27,-0.0 1,-0.1 15,-0.0 -0.476 56.3-109.8 -62.9 141.5 35.5 26.9 -5.1 247 1089 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -29,-0.0 -0.206 38.1 -85.6 -70.4 165.6 38.6 25.1 -6.2 248 1090 A R - 0 0 94 1,-0.1 3,-0.1 4,-0.0 2,-0.1 -0.591 51.3-111.7 -65.7 128.9 38.6 22.1 -8.6 249 1091 A P > - 0 0 4 0, 0.0 3,-2.1 0, 0.0 -42,-0.1 -0.386 41.6 -92.2 -58.1 138.9 38.0 18.9 -6.7 250 1092 A D T 3 S+ 0 0 158 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.351 111.6 8.8 -53.7 124.7 41.0 16.6 -6.6 251 1093 A G T 3 S+ 0 0 52 1,-0.3 -1,-0.3 -3,-0.1 -44,-0.0 0.462 90.4 149.4 83.7 2.6 40.8 14.1 -9.5 252 1094 A C < - 0 0 5 -3,-2.1 -1,-0.3 1,-0.1 -4,-0.0 -0.555 51.1-114.2 -74.3 125.4 37.8 15.9 -11.1 253 1095 A P >> - 0 0 22 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.300 21.8-121.3 -59.7 142.5 37.8 15.6 -14.9 254 1096 A D H 3> S+ 0 0 84 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.840 108.6 55.4 -51.7 -46.9 38.3 18.9 -16.8 255 1097 A E H 3> S+ 0 0 81 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.757 110.6 46.2 -65.0 -27.6 35.0 18.9 -18.7 256 1098 A I H <> S+ 0 0 4 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.883 111.1 50.7 -80.4 -42.9 33.1 18.6 -15.5 257 1099 A Y H X S+ 0 0 58 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.897 106.8 55.8 -61.3 -40.9 35.0 21.3 -13.7 258 1100 A M H X S+ 0 0 107 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.832 104.1 54.4 -55.0 -38.9 34.4 23.5 -16.8 259 1101 A I H X S+ 0 0 6 -4,-0.8 4,-2.0 -3,-0.2 -2,-0.2 0.942 107.3 50.6 -61.9 -46.9 30.6 22.9 -16.3 260 1102 A M H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 3,-0.3 0.949 110.3 48.0 -54.0 -54.3 30.9 24.1 -12.6 261 1103 A T H < S+ 0 0 54 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.810 109.1 54.0 -63.1 -31.7 32.7 27.3 -13.5 262 1104 A E H >< S+ 0 0 65 -4,-1.6 3,-0.7 1,-0.2 -1,-0.3 0.879 107.4 51.1 -66.9 -39.2 30.1 28.1 -16.2 263 1105 A C H 3< S+ 0 0 0 -4,-2.0 2,-0.6 -3,-0.3 -2,-0.2 0.843 103.3 61.7 -63.5 -34.9 27.3 27.7 -13.7 264 1106 A W T 3< S+ 0 0 5 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.2 -0.229 72.1 140.1 -90.3 44.6 29.2 30.2 -11.4 265 1107 A N < - 0 0 51 -3,-0.7 6,-0.2 -2,-0.6 5,-0.1 -0.797 50.6-145.6 -89.5 125.1 29.0 33.1 -13.8 266 1108 A N S S+ 0 0 53 -2,-0.5 2,-0.7 -26,-0.1 -84,-0.1 0.813 87.4 80.9 -55.0 -34.1 28.3 36.5 -12.1 267 1109 A N S >> S- 0 0 75 1,-0.2 3,-0.9 -3,-0.0 4,-0.6 -0.690 73.3-157.2 -77.0 114.0 26.4 37.4 -15.3 268 1110 A V G >4 S+ 0 0 53 -2,-0.7 3,-1.0 1,-0.2 -1,-0.2 0.892 88.9 56.1 -62.2 -38.8 23.0 35.8 -14.8 269 1111 A N G 34 S+ 0 0 150 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.696 102.9 56.3 -67.6 -21.0 22.3 35.7 -18.6 270 1112 A Q G <4 S+ 0 0 116 -3,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.560 80.1 104.1 -90.8 -12.7 25.5 33.8 -19.4 271 1113 A R S << S- 0 0 17 -3,-1.0 -8,-0.2 -4,-0.6 -9,-0.0 -0.436 79.0-108.5 -66.2 144.9 24.8 30.8 -17.1 272 1114 A P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.263 29.0-110.4 -73.3 165.5 23.7 27.7 -19.1 273 1115 A S > - 0 0 45 1,-0.1 4,-2.2 -78,-0.0 5,-0.1 -0.586 22.0-117.6 -90.9 157.5 20.2 26.3 -19.1 274 1116 A F H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -151,-0.2 0.786 115.6 57.5 -64.5 -29.7 19.3 23.0 -17.5 275 1117 A R H > S+ 0 0 168 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.951 109.8 43.6 -62.8 -48.4 18.3 21.6 -20.9 276 1118 A D H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.859 112.2 54.5 -66.8 -35.1 21.8 22.4 -22.2 277 1119 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.912 106.9 49.3 -63.5 -44.6 23.4 20.9 -19.1 278 1120 A A H X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.879 112.1 48.9 -65.8 -39.0 21.5 17.6 -19.3 279 1121 A L H X S+ 0 0 115 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.918 113.7 46.8 -62.0 -44.1 22.6 17.3 -23.0 280 1122 A R H X S+ 0 0 82 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.926 112.7 48.0 -65.0 -45.9 26.2 18.1 -22.2 281 1123 A V H X S+ 0 0 5 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.896 110.4 51.4 -63.6 -42.9 26.3 15.7 -19.2 282 1124 A D H X S+ 0 0 52 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.807 108.2 53.4 -64.4 -30.8 24.8 12.8 -21.2 283 1125 A Q H X S+ 0 0 101 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.914 107.5 50.7 -67.5 -43.8 27.4 13.4 -24.0 284 1126 A I H X S+ 0 0 27 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.944 111.3 48.3 -55.4 -50.6 30.2 13.1 -21.4 285 1127 A R H < S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.877 110.4 51.1 -57.2 -43.7 28.7 9.8 -20.1 286 1128 A D H < S+ 0 0 128 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.900 108.9 51.6 -61.9 -42.5 28.4 8.5 -23.7 287 1129 A N H < 0 0 120 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.867 360.0 360.0 -60.4 -40.3 32.1 9.4 -24.3 288 1130 A M < 0 0 90 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.657 360.0 360.0 -79.2 360.0 33.2 7.5 -21.2