==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-SEP-12 4BBF . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LI . 1152 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55635.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 792 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 179 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 66 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 370 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 3 0 5 2 1 4 4 3 5 0 0 1 6 1 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 PARALLEL BRIDGES PER LADDER . 4 8 0 10 1 1 4 4 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 . 8 0 4 0 4 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 1 841 A P 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 28.4 -25.4 -26.7 -28.1 2 842 A T + 0 0 44 73,-0.1 74,-2.4 2,-0.0 2,-0.5 0.535 360.0 68.6 -80.2 -15.0 -22.6 -25.0 -26.1 3 843 A Q B -a 76 0A 61 72,-0.2 2,-0.4 74,-0.1 74,-0.2 -0.946 64.3-164.7-116.6 128.6 -22.0 -27.8 -23.5 4 844 A F - 0 0 18 72,-1.9 74,-0.4 -2,-0.5 2,-0.4 -0.915 19.1-126.8-114.2 132.7 -20.6 -31.2 -24.6 5 845 A E > - 0 0 89 -2,-0.4 3,-1.4 1,-0.1 4,-0.2 -0.713 9.9-142.1 -86.3 128.9 -20.7 -34.3 -22.4 6 846 A E G > S+ 0 0 88 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.747 97.5 66.0 -57.8 -29.7 -17.4 -36.0 -21.8 7 847 A R G 3 S+ 0 0 179 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.778 107.2 40.6 -64.3 -28.0 -18.9 -39.5 -22.0 8 848 A H G < S+ 0 0 36 -3,-1.4 21,-1.6 20,-0.0 2,-0.9 0.315 91.2 98.4-101.4 5.6 -19.9 -38.9 -25.7 9 849 A L E < -B 28 0A 27 -3,-1.1 2,-0.5 -4,-0.2 19,-0.2 -0.841 58.8-169.7-105.0 99.0 -16.6 -37.2 -26.7 10 850 A K E -B 27 0A 101 17,-3.0 17,-2.8 -2,-0.9 2,-0.2 -0.815 20.8-118.3-102.6 131.4 -14.4 -39.8 -28.3 11 851 A F E +B 26 0A 74 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.447 38.4 159.0 -66.2 132.8 -10.8 -39.5 -29.2 12 852 A L E - 0 0 2 13,-2.9 2,-0.3 1,-0.3 14,-0.2 0.740 56.8 -12.7-118.2 -52.9 -9.8 -39.9 -32.9 13 853 A Q E -B 25 0A 57 12,-1.9 12,-3.7 370,-0.0 -1,-0.3 -0.997 56.3-109.0-158.1 148.1 -6.4 -38.3 -33.6 14 854 A Q E +B 24 0A 80 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.543 29.9 178.5 -70.5 138.5 -3.7 -36.0 -32.3 15 855 A L E - 0 0 67 8,-3.1 2,-0.2 1,-0.4 9,-0.2 0.729 63.9 -22.3-116.0 -29.5 -3.6 -32.7 -34.2 16 856 A G E -B 23 0A 29 7,-1.4 7,-2.7 2,-0.0 -1,-0.4 -0.792 57.8-162.6 178.7 137.9 -0.8 -30.7 -32.6 17 857 A K E +B 22 0A 132 5,-0.2 5,-0.2 -2,-0.2 2,-0.2 -0.982 11.6 169.1-132.9 135.7 1.0 -30.9 -29.1 18 858 A G - 0 0 41 3,-3.2 -2,-0.0 -2,-0.3 0, 0.0 -0.650 53.8 -86.1-128.0-166.4 3.1 -28.4 -27.3 19 859 A N S S+ 0 0 115 -2,-0.2 3,-0.1 1,-0.2 26,-0.0 0.764 126.3 24.8 -73.4 -21.7 4.5 -28.1 -23.8 20 860 A F S S+ 0 0 95 1,-0.2 25,-1.4 24,-0.1 2,-0.3 0.473 124.0 28.9-124.4 0.5 1.3 -26.4 -22.5 21 861 A G E - C 0 44A 16 23,-0.3 -3,-3.2 26,-0.0 2,-0.3 -0.979 50.9-165.8-159.7 156.1 -1.5 -27.5 -24.9 22 862 A S E -BC 17 43A 2 21,-2.3 21,-2.5 -2,-0.3 2,-0.4 -0.987 7.6-155.4-149.6 145.3 -2.7 -30.2 -27.2 23 863 A V E -BC 16 42A 29 -7,-2.7 -8,-3.1 -2,-0.3 -7,-1.4 -0.963 15.6-175.5-124.0 135.8 -5.4 -30.4 -29.8 24 864 A E E -BC 14 41A 20 17,-2.2 17,-2.7 -2,-0.4 2,-0.4 -0.980 28.0-121.7-131.0 144.4 -7.1 -33.6 -30.8 25 865 A M E +BC 13 40A 0 -12,-3.7 -13,-2.9 -2,-0.4 -12,-1.9 -0.724 43.4 174.0 -76.6 132.7 -9.6 -34.6 -33.4 26 866 A C E -BC 11 39A 5 13,-2.9 13,-3.3 -2,-0.4 2,-0.4 -0.927 29.7-128.4-137.9 164.4 -12.6 -36.2 -31.7 27 867 A R E -BC 10 38A 24 -17,-2.8 -17,-3.0 -2,-0.3 2,-0.7 -0.930 13.1-155.6-111.9 131.5 -16.1 -37.5 -32.5 28 868 A Y E +BC 9 37A 26 9,-3.3 9,-1.5 -2,-0.4 -19,-0.2 -0.871 22.6 164.7-108.1 96.8 -19.1 -36.3 -30.6 29 869 A D > + 0 0 14 -21,-1.6 3,-1.1 -2,-0.7 6,-0.0 -0.716 8.1 160.7-112.7 86.2 -21.9 -39.0 -30.8 30 870 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.759 79.4 56.9 -74.5 -22.7 -24.6 -38.3 -28.2 31 871 A L T 3 S- 0 0 138 -23,-0.1 4,-0.1 0, 0.0 3,-0.1 0.269 109.9-129.8 -88.0 9.4 -27.2 -40.5 -30.1 32 872 A Q S < S+ 0 0 62 -3,-1.1 2,-0.1 1,-0.1 -24,-0.0 0.856 74.9 100.9 38.3 90.3 -24.5 -43.2 -29.7 33 873 A D S S- 0 0 98 -4,-0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.258 89.2 -93.9-169.9-142.1 -24.6 -44.1 -33.3 34 874 A N S S+ 0 0 43 -2,-0.1 291,-0.2 -3,-0.1 293,-0.2 0.387 102.2 85.4-135.9 -17.0 -22.1 -43.1 -36.0 35 875 A T + 0 0 48 289,-0.2 290,-1.6 291,-0.1 -7,-0.1 0.648 63.9 127.1 -57.7 -18.8 -23.7 -40.0 -37.5 36 876 A G - 0 0 8 288,-0.2 289,-0.5 1,-0.1 -7,-0.3 0.196 65.4 -97.5 -39.3 163.7 -22.1 -37.8 -34.7 37 877 A E E -C 28 0A 62 -9,-1.5 -9,-3.3 287,-0.1 2,-0.4 -0.601 24.4-124.9 -98.0 144.4 -20.1 -34.8 -35.6 38 878 A V E +C 27 0A 7 -2,-0.2 53,-0.7 -11,-0.2 -11,-0.2 -0.781 38.5 172.4 -88.1 130.8 -16.2 -34.5 -35.9 39 879 A V E -CD 26 90A 1 -13,-3.3 -13,-2.9 -2,-0.4 2,-0.4 -0.788 32.8-120.8-132.7 169.7 -14.7 -31.8 -33.7 40 880 A A E -CD 25 89A 6 49,-2.3 49,-2.6 -2,-0.2 2,-0.5 -0.947 27.8-160.4-114.6 136.7 -11.3 -30.4 -32.6 41 881 A V E -CD 24 88A 1 -17,-2.7 -17,-2.2 -2,-0.4 2,-0.4 -0.975 4.5-160.8-125.0 120.3 -10.7 -30.4 -28.9 42 882 A K E +CD 23 87A 17 45,-2.8 45,-2.8 -2,-0.5 2,-0.3 -0.885 16.7 170.8-101.9 138.4 -8.1 -28.3 -27.2 43 883 A K E -C 22 0A 27 -21,-2.5 -21,-2.3 -2,-0.4 43,-0.1 -0.913 34.5-104.8-135.2 155.9 -6.9 -29.2 -23.7 44 884 A L E -C 21 0A 21 41,-0.5 2,-0.3 -2,-0.3 -23,-0.3 -0.385 25.7-154.8 -73.8 163.5 -4.1 -28.0 -21.5 45 885 A Q S S+ 0 0 36 -25,-1.4 819,-0.1 1,-0.1 -26,-0.0 -0.939 81.4 10.7-132.2 145.8 -0.9 -30.1 -20.9 46 886 A H S S- 0 0 94 -2,-0.3 -1,-0.1 1,-0.1 5,-0.1 0.889 95.9-161.7 48.4 46.9 1.1 -29.6 -17.7 47 887 A S - 0 0 37 813,-0.1 2,-0.3 816,-0.1 -1,-0.1 -0.213 18.3-179.8 -68.8 144.9 -1.7 -27.5 -16.4 48 888 A T > - 0 0 66 1,-0.0 4,-2.1 0, 0.0 5,-0.2 -0.893 44.4-101.1-131.9 165.4 -1.4 -25.0 -13.5 49 889 A E H > S+ 0 0 96 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.896 123.5 47.8 -51.4 -49.3 -3.9 -22.7 -11.8 50 890 A E H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.867 110.4 50.8 -62.8 -40.4 -2.6 -19.7 -13.7 51 891 A H H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.832 109.2 53.1 -65.5 -34.2 -2.6 -21.5 -17.1 52 892 A L H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.924 108.3 48.8 -68.0 -45.2 -6.3 -22.6 -16.3 53 893 A R H X S+ 0 0 70 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.897 112.3 49.1 -55.3 -47.9 -7.2 -19.0 -15.7 54 894 A D H X S+ 0 0 64 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.857 109.1 53.1 -56.5 -40.0 -5.5 -18.0 -19.0 55 895 A F H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.862 104.7 53.8 -67.3 -41.2 -7.3 -20.9 -20.8 56 896 A E H X S+ 0 0 27 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.879 110.9 47.5 -56.8 -44.5 -10.7 -19.6 -19.6 57 897 A R H X S+ 0 0 122 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.878 110.2 51.9 -61.8 -44.8 -9.8 -16.2 -21.1 58 898 A E H X S+ 0 0 21 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.854 110.4 49.5 -59.5 -40.1 -8.6 -17.9 -24.4 59 899 A I H X S+ 0 0 5 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.885 110.3 49.2 -64.3 -44.0 -12.1 -19.7 -24.5 60 900 A E H X S+ 0 0 117 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.865 110.5 52.9 -66.7 -38.5 -14.0 -16.5 -24.0 61 901 A I H < S+ 0 0 5 -4,-2.2 4,-0.5 2,-0.2 3,-0.2 0.976 111.7 43.0 -58.9 -54.6 -11.9 -14.8 -26.7 62 902 A L H >< S+ 0 0 5 -4,-2.4 3,-1.6 1,-0.2 11,-0.4 0.916 112.7 53.8 -62.3 -38.6 -12.6 -17.5 -29.3 63 903 A K H 3< S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.876 103.8 56.7 -61.7 -35.7 -16.3 -17.6 -28.3 64 904 A S T 3< S+ 0 0 38 -4,-1.9 2,-0.5 -3,-0.2 -1,-0.3 0.569 94.9 88.1 -69.3 -7.7 -16.5 -13.8 -28.8 65 905 A L < + 0 0 11 -3,-1.6 8,-0.4 -4,-0.5 2,-0.3 -0.845 43.6 168.2-105.9 127.3 -15.3 -14.3 -32.4 66 906 A Q + 0 0 176 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.867 29.0 125.0-132.4 101.4 -17.6 -14.9 -35.4 67 907 A H > - 0 0 53 3,-0.4 3,-1.5 -2,-0.3 56,-0.1 -0.986 63.9-119.3-157.0 142.7 -15.8 -14.5 -38.8 68 908 A D T 3 S+ 0 0 96 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.742 115.0 47.8 -53.1 -32.4 -15.2 -16.7 -41.9 69 909 A N T 3 S+ 0 0 12 82,-0.1 83,-2.8 50,-0.1 2,-0.4 0.008 98.5 79.5-105.7 31.7 -11.5 -16.5 -41.4 70 910 A I B < S-f 152 0B 2 -3,-1.5 -3,-0.4 81,-0.3 83,-0.2 -0.992 92.0-102.5-133.3 127.3 -11.5 -17.4 -37.7 71 911 A V - 0 0 7 81,-2.8 2,-0.4 -2,-0.4 -6,-0.1 -0.179 47.7-107.5 -46.1 134.1 -11.8 -21.1 -36.5 72 912 A K - 0 0 111 -4,-0.1 18,-2.6 -6,-0.1 2,-0.1 -0.585 22.6-135.3 -78.3 124.1 -15.5 -21.6 -35.2 73 913 A Y E + E 0 89A 42 -8,-0.4 16,-0.2 -2,-0.4 3,-0.1 -0.436 26.7 173.7 -60.5 137.7 -16.0 -21.9 -31.5 74 914 A K E - 0 0 71 14,-2.5 2,-0.3 1,-0.4 15,-0.2 0.622 47.6 -77.8-118.7 -44.2 -18.5 -24.8 -30.7 75 915 A G E - E 0 88A 0 13,-1.6 13,-2.9 2,-0.0 -1,-0.4 -0.984 41.9 -80.1 173.8-164.5 -18.5 -25.1 -26.9 76 916 A V E -aE 3 87A 5 -74,-2.4 -72,-1.9 -2,-0.3 2,-0.6 -0.941 22.4-145.8-126.4 148.4 -16.7 -26.3 -23.8 77 917 A C E - E 0 86A 1 9,-2.7 9,-1.6 -2,-0.3 2,-1.6 -0.977 6.9-152.7-111.8 119.6 -16.5 -29.7 -22.2 78 918 A Y > - 0 0 54 -2,-0.6 4,-1.3 -74,-0.4 7,-0.2 -0.649 34.7-178.8 -90.9 78.7 -16.4 -29.7 -18.4 79 919 A S H >> + 0 0 2 -2,-1.6 4,-1.3 2,-0.2 5,-1.2 0.069 50.0 51.4 -75.5-179.5 -14.5 -33.0 -18.2 80 920 A A H >45S- 0 0 16 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.922 140.4 -51.6 45.9 50.4 -13.2 -35.1 -15.2 81 921 A G H 345S- 0 0 33 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.908 109.4 -49.6 56.0 45.9 -16.8 -34.8 -13.7 82 922 A R H 3<5S+ 0 0 43 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.724 118.3 108.6 66.6 26.7 -16.8 -31.1 -14.2 83 923 A R T <<5S+ 0 0 28 -4,-1.3 2,-0.3 -3,-0.6 -3,-0.2 0.211 78.0 36.9-112.6 18.8 -13.4 -30.5 -12.5 84 924 A N S - 0 0 14 -2,-0.5 3,-1.2 1,-0.1 52,-0.2 -0.921 6.5-152.9-111.0 111.4 -10.7 -28.3 -40.4 93 933 A P T 3 S+ 0 0 27 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 0.742 81.5 61.8 -61.2 -26.4 -9.6 -31.2 -42.5 94 934 A Y T 3 S- 0 0 74 50,-1.7 51,-0.1 1,-0.2 6,-0.1 0.367 89.1-143.3 -98.0 9.6 -6.6 -29.8 -44.2 95 935 A G < - 0 0 31 -3,-1.2 49,-2.3 49,-0.2 -1,-0.2 -0.227 51.5 -9.5 77.1-157.7 -4.3 -29.0 -41.3 96 936 A S B > -G 143 0B 13 47,-0.2 4,-2.6 1,-0.1 47,-0.2 -0.392 58.0-125.4 -79.6 149.7 -2.0 -26.1 -40.9 97 937 A L H > S+ 0 0 0 45,-2.6 4,-2.6 42,-0.8 5,-0.2 0.883 113.5 59.9 -62.3 -32.7 -1.4 -23.7 -43.8 98 938 A R H > S+ 0 0 81 41,-1.3 4,-1.2 44,-0.3 -1,-0.2 0.960 111.7 37.8 -55.6 -50.6 2.4 -24.4 -43.2 99 939 A D H > S+ 0 0 59 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.879 116.0 53.3 -69.6 -37.8 1.8 -28.2 -43.9 100 940 A Y H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.881 105.2 53.3 -63.6 -43.4 -0.7 -27.6 -46.7 101 941 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.847 112.1 45.9 -63.6 -37.5 1.6 -25.3 -48.6 102 942 A Q H < S+ 0 0 85 -4,-1.2 3,-0.3 -5,-0.2 -1,-0.2 0.783 117.9 41.3 -74.0 -35.9 4.4 -27.9 -48.6 103 943 A K H < S+ 0 0 149 -4,-1.7 -2,-0.2 1,-0.2 3,-0.2 0.766 123.3 36.1 -84.4 -25.2 2.1 -30.8 -49.5 104 944 A H >< + 0 0 51 -4,-2.4 3,-1.9 -5,-0.2 -1,-0.2 0.000 68.3 131.4-123.2 25.5 0.1 -29.1 -52.2 105 945 A K G > + 0 0 88 -3,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.830 69.5 64.2 -46.4 -39.3 2.6 -26.7 -53.9 106 946 A E G 3 S+ 0 0 192 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.628 106.3 40.7 -73.2 -14.7 1.4 -27.9 -57.3 107 947 A R G < S+ 0 0 108 -3,-1.9 2,-0.5 1,-0.1 -1,-0.3 0.115 105.0 79.6-110.6 22.7 -2.1 -26.6 -56.9 108 948 A I < + 0 0 8 -3,-2.0 2,-0.2 -4,-0.1 -1,-0.1 -0.972 52.3 160.4-126.0 114.3 -0.9 -23.3 -55.3 109 949 A D >> - 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0 0 38 -3,-2.4 -3,-0.2 -4,-0.5 -2,-0.1 0.741 59.9 -72.8 46.9 28.7 6.3 -22.2 -50.1 211 1051 A I T 3 S+ 0 0 192 1,-0.3 3,-1.0 -2,-0.2 6,-0.2 0.764 105.7 41.3 -56.3 -47.2 13.3 -25.9 -45.6 214 1054 A S G 3 S+ 0 0 53 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.353 106.0 68.7 -83.5 4.2 16.3 -23.6 -45.5 215 1055 A K G < + 0 0 70 -3,-2.2 -1,-0.2 -6,-0.1 -2,-0.2 0.273 68.8 120.8-106.6 8.5 14.1 -20.6 -46.2 216 1056 A S S <> S- 0 0 39 -3,-1.0 4,-3.0 -4,-0.1 5,-0.3 -0.343 77.2-110.4 -72.5 157.2 12.2 -20.5 -42.9 217 1057 A P H > S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.950 119.6 46.0 -54.8 -46.1 12.4 -17.4 -40.8 218 1058 A P H > S+ 0 0 41 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.932 114.0 49.2 -60.4 -41.8 14.4 -19.2 -38.0 219 1059 A A H > S+ 0 0 29 -6,-0.2 4,-2.3 2,-0.2 5,-0.1 0.933 116.6 42.8 -59.4 -47.7 16.8 -20.8 -40.6 220 1060 A E H X S+ 0 0 15 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.942 114.7 46.3 -64.6 -54.2 17.3 -17.4 -42.4 221 1061 A F H X S+ 0 0 7 -4,-2.8 4,-3.2 -5,-0.3 5,-0.3 0.907 113.5 50.7 -58.6 -39.3 17.8 -15.3 -39.3 222 1062 A M H X S+ 0 0 44 -4,-2.6 4,-3.1 -5,-0.3 -2,-0.2 0.922 108.8 52.0 -67.8 -41.2 20.2 -17.9 -37.8 223 1063 A R H < S+ 0 0 119 -4,-2.3 4,-0.2 -5,-0.2 -2,-0.2 0.947 114.5 44.9 -45.9 -53.9 22.1 -17.9 -41.1 224 1064 A M H < S+ 0 0 72 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.925 119.8 37.5 -63.0 -48.6 22.3 -14.1 -40.8 225 1065 A I H < S- 0 0 13 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.832 128.7 -86.4 -77.9 -28.7 23.2 -13.9 -37.1 226 1066 A G >< - 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0 0 12 -4,-2.5 3,-2.1 -5,-0.2 -3,-0.2 0.304 24.6-130.3 121.5 111.5 -8.8 -20.3 -0.8 1094 1067 D N T 3 S+ 0 0 126 1,-0.3 -4,-0.1 -4,-0.2 -5,-0.1 0.628 104.7 69.9 -75.9 -3.5 -10.3 -16.8 -1.3 1095 1068 D D T 3 S+ 0 0 109 -6,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.744 76.2 107.0 -61.1 -36.1 -7.6 -16.2 -3.9 1096 1069 D K < - 0 0 31 -3,-2.1 2,-0.3 -7,-0.2 3,-0.1 -0.130 49.9-172.2 -61.3 143.8 -9.3 -18.7 -6.4 1097 1070 D Q > - 0 0 111 1,-0.3 3,-0.9 4,-0.0 4,-0.1 -0.979 38.2 -5.6-138.0 154.0 -11.1 -17.3 -9.4 1098 1071 D G T 3 S- 0 0 24 -2,-0.3 2,-4.1 1,-0.2 -1,-0.3 0.844 122.2 -13.1 36.7 127.7 -13.4 -18.5 -12.3 1099 1072 D Q T 3> S+ 0 0 42 1,-0.2 4,-2.4 -3,-0.1 3,-0.2 -0.148 124.9 74.5 44.6 -49.8 -14.1 -22.2 -12.8 1100 1073 D M H <> S+ 0 0 20 -2,-4.1 4,-2.4 -3,-0.9 -1,-0.2 0.844 91.6 58.0 -55.2 -33.8 -11.3 -23.2 -10.4 1101 1074 D I H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.961 109.2 42.9 -55.8 -50.1 -13.7 -22.0 -7.7 1102 1075 D V H > S+ 0 0 15 -3,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.885 111.6 55.1 -67.2 -35.8 -16.2 -24.6 -8.9 1103 1076 D F H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.944 111.8 42.7 -62.5 -47.9 -13.5 -27.3 -9.3 1104 1077 D H H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.828 111.4 55.7 -69.7 -34.3 -12.4 -27.0 -5.7 1105 1078 D L H X S+ 0 0 1 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.955 110.1 45.9 -60.4 -50.3 -16.1 -26.8 -4.4 1106 1079 D I H X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.917 114.1 48.3 -54.2 -48.8 -16.9 -30.1 -6.1 1107 1080 D E H X S+ 0 0 0 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.926 111.9 48.1 -63.0 -47.5 -13.8 -31.6 -4.8 1108 1081 D L H ><>S+ 0 0 4 -4,-2.5 5,-3.3 1,-0.2 3,-0.5 0.934 115.9 45.4 -56.8 -51.5 -14.3 -30.3 -1.1 1109 1082 D L H ><5S+ 0 0 4 -4,-3.2 3,-1.5 1,-0.2 -2,-0.2 0.894 107.2 54.8 -66.4 -42.6 -18.0 -31.6 -1.1 1110 1083 D K H 3<5S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.758 112.4 45.9 -58.7 -28.4 -17.4 -35.0 -2.7 1111 1084 D N T <<5S- 0 0 1 -4,-1.0 -404,-0.3 -3,-0.5 -1,-0.3 -0.047 127.4 -91.2-113.2 23.6 -14.9 -35.8 0.1 1112 1085 D N T < 5 + 0 0 43 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.516 69.0 151.2 85.8 13.5 -16.9 -34.5 3.1 1113 1086 D G < + 0 0 13 -5,-3.3 2,-0.3 -6,-0.2 -1,-0.3 -0.593 25.1 171.6 -71.2 138.0 -15.9 -30.9 3.5 1114 1087 D R - 0 0 34 -2,-0.3 16,-0.0 -407,-0.1 -5,-0.0 -0.955 40.6 -85.0-144.7 155.8 -18.9 -29.0 5.0 1115 1088 D L - 0 0 2 -2,-0.3 2,-0.0 1,-0.1 -43,-0.0 -0.362 57.5-110.4 -50.5 139.0 -19.9 -25.7 6.5 1116 1089 D P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.279 35.3 -87.9 -74.4 163.9 -19.0 -25.6 10.2 1117 1090 D R - 0 0 117 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.592 52.2-117.5 -64.7 126.6 -21.5 -25.7 13.0 1118 1091 D P > - 0 0 10 0, 0.0 3,-1.5 0, 0.0 2,-0.1 -0.263 39.6 -87.7 -62.4 159.0 -22.5 -22.0 13.6 1119 1092 D D T 3 S+ 0 0 164 1,-0.2 0, 0.0 -43,-0.1 0, 0.0 -0.490 115.3 16.3 -68.0 137.7 -21.5 -20.7 17.1 1120 1093 D G T 3 S+ 0 0 52 1,-0.3 -1,-0.2 -2,-0.1 -44,-0.0 0.506 91.7 134.6 80.7 -0.4 -24.3 -21.4 19.7 1121 1094 D C < - 0 0 3 -3,-1.5 -1,-0.3 1,-0.0 2,-0.1 -0.760 59.4-119.8 -82.0 124.6 -26.0 -24.0 17.4 1122 1095 D P >> - 0 0 50 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.393 16.6-122.3 -62.0 141.8 -27.0 -27.1 19.2 1123 1096 D D H 3> S+ 0 0 108 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.841 111.3 62.2 -48.0 -42.9 -25.4 -30.3 18.0 1124 1097 D E H 3> S+ 0 0 110 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.858 107.7 41.7 -53.0 -40.0 -28.9 -31.8 17.4 1125 1098 D I H X> S+ 0 0 5 -3,-1.0 4,-1.8 2,-0.2 3,-0.5 0.894 112.2 52.6 -80.8 -39.9 -29.7 -29.0 14.8 1126 1099 D Y H 3X S+ 0 0 46 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.897 105.3 58.8 -61.1 -37.8 -26.3 -29.2 13.1 1127 1100 D M H 3X S+ 0 0 83 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.834 101.9 52.3 -58.7 -33.3 -26.9 -32.9 12.8 1128 1101 D I H < S+ 0 0 56 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.875 109.5 47.7 -67.1 -36.7 -28.1 -35.4 7.3 1132 1105 D C H 3< S+ 0 0 0 -4,-1.8 2,-1.1 1,-0.2 -2,-0.2 0.851 103.7 65.4 -68.3 -34.2 -29.4 -33.1 4.5 1133 1106 D W T 3< S+ 0 0 5 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.2 -0.254 72.5 138.2 -83.8 48.0 -25.8 -32.8 3.3 1134 1107 D N < - 0 0 43 -2,-1.1 6,-0.1 -3,-0.5 5,-0.1 -0.833 50.6-150.6 -89.3 129.2 -25.5 -36.5 2.2 1135 1108 D N S S+ 0 0 57 -2,-0.5 2,-1.1 -26,-0.1 -1,-0.1 0.793 85.1 86.6 -67.7 -25.4 -23.7 -37.1 -1.0 1136 1109 D N S > S- 0 0 71 1,-0.2 3,-1.7 2,-0.1 4,-0.4 -0.689 71.6-161.2 -75.0 98.6 -26.0 -40.3 -1.2 1137 1110 D V G > S+ 0 0 22 -2,-1.1 3,-0.9 1,-0.3 -1,-0.2 0.832 85.7 50.7 -52.4 -43.2 -29.0 -38.7 -2.8 1138 1111 D N G 3 S+ 0 0 148 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.523 103.3 60.5 -77.2 -5.3 -31.4 -41.5 -1.7 1139 1112 D Q G < S+ 0 0 106 -3,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.431 78.0 109.4-100.7 -4.8 -30.2 -41.3 1.9 1140 1113 D R S < S- 0 0 18 -3,-0.9 -8,-0.2 -4,-0.4 -79,-0.1 -0.487 77.3-109.9 -67.1 141.7 -31.3 -37.6 2.4 1141 1114 D P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.308 32.0-108.4 -67.7 159.4 -34.3 -37.3 4.6 1142 1115 D S > - 0 0 52 1,-0.1 4,-2.3 -78,-0.0 5,-0.1 -0.448 22.8-115.2 -73.7 159.7 -37.7 -36.3 3.2 1143 1116 D F H > S+ 0 0 9 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.892 118.3 57.7 -60.3 -35.4 -39.2 -32.8 3.8 1144 1117 D R H > S+ 0 0 151 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.942 109.1 42.6 -67.5 -39.8 -42.0 -34.6 5.7 1145 1118 D D H > S+ 0 0 64 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.907 113.0 53.2 -72.2 -31.8 -39.5 -36.2 8.2 1146 1119 D L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.930 110.4 46.7 -57.6 -51.2 -37.6 -33.0 8.5 1147 1120 D A H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.926 114.4 48.5 -57.2 -49.8 -40.9 -31.1 9.4 1148 1121 D L H X S+ 0 0 103 -4,-2.2 4,-0.8 -5,-0.2 -2,-0.2 0.899 115.1 45.5 -54.6 -44.9 -41.7 -34.0 11.9 1149 1122 D R H >X S+ 0 0 80 -4,-2.9 4,-2.0 -5,-0.2 3,-0.9 0.954 113.5 47.1 -63.7 -52.1 -38.2 -33.8 13.3 1150 1123 D V H 3X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.3 -2,-0.2 0.861 107.1 57.3 -60.1 -40.8 -38.1 -30.0 13.6 1151 1124 D D H 3X S+ 0 0 28 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.3 0.719 108.3 48.5 -64.7 -23.9 -41.5 -29.8 15.2 1152 1125 D Q H << S+ 0 0 100 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.898 108.7 49.8 -83.9 -44.4 -40.2 -32.1 18.0 1153 1126 D I H < S+ 0 0 43 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.925 112.6 52.9 -51.5 -41.0 -37.0 -30.2 18.7 1154 1127 D R H < 0 0 79 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.890 360.0 360.0 -61.5 -48.3 -39.4 -27.2 18.9 1155 1128 D D < 0 0 159 -4,-1.4 -3,-0.0 -5,-0.1 -4,-0.0 -0.399 360.0 360.0 -54.9 360.0 -41.7 -28.9 21.4