==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-AUG-12 4GMY . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY,S.SHIA . 300 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 15.0 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 . 1 0.3 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 . 19 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 1 1 0 1 1 0 1 0 1 1 0 1 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 1 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 . 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 1 833 A S 0 0 186 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.7 12.4 -54.3 -19.3 2 834 A G - 0 0 71 1,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.834 360.0 -91.5-141.0 168.3 15.0 -54.9 -16.6 3 835 A A - 0 0 111 -2,-0.2 2,-0.3 2,-0.0 -1,-0.0 -0.428 36.9-153.7 -83.7 163.5 15.6 -56.1 -13.0 4 836 A F - 0 0 153 -2,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.999 16.1-176.1-147.7 136.2 15.7 -53.6 -10.1 5 837 A E - 0 0 134 -2,-0.3 2,-1.1 3,-0.0 -2,-0.0 -0.930 8.9-163.0-137.8 111.5 17.2 -53.5 -6.6 6 838 A D + 0 0 98 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.727 29.8 148.0-100.2 88.3 16.5 -50.6 -4.2 7 839 A R + 0 0 196 -2,-1.1 -1,-0.1 1,-0.2 -2,-0.0 -0.175 65.0 64.0-107.5 38.6 19.2 -50.6 -1.5 8 840 A D > + 0 0 56 3,-0.1 3,-1.5 1,-0.0 -1,-0.2 -0.451 49.4 172.3-159.4 82.8 19.0 -46.8 -1.1 9 841 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.548 78.4 70.8 -62.9 -14.1 15.7 -45.3 0.1 10 842 A T T 3 S+ 0 0 42 73,-0.1 74,-2.7 1,-0.1 2,-0.6 0.352 82.1 82.4 -89.2 6.2 17.5 -41.9 0.4 11 843 A Q B < S-a 84 0A 97 -3,-1.5 2,-0.5 72,-0.2 74,-0.2 -0.922 70.4-158.4-109.5 108.1 17.6 -41.7 -3.4 12 844 A F - 0 0 20 72,-2.8 2,-0.5 -2,-0.6 74,-0.4 -0.737 17.7-123.5 -93.2 128.4 14.3 -40.4 -4.8 13 845 A E >> - 0 0 67 -2,-0.5 3,-1.9 1,-0.2 4,-0.7 -0.560 12.3-143.2 -70.7 117.7 13.4 -41.1 -8.5 14 846 A E G >4 S+ 0 0 95 -2,-0.5 3,-1.3 1,-0.3 -1,-0.2 0.871 100.0 59.0 -45.2 -43.2 12.7 -37.8 -10.3 15 847 A R G 34 S+ 0 0 153 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.753 106.7 46.6 -63.1 -25.1 10.0 -39.6 -12.3 16 848 A H G <4 S+ 0 0 10 -3,-1.9 21,-2.8 2,-0.1 2,-0.7 0.473 87.0 96.8 -98.0 -5.3 8.1 -40.5 -9.1 17 849 A L E << -B 36 0A 27 -3,-1.3 2,-0.4 -4,-0.7 19,-0.2 -0.791 61.4-163.4 -91.5 114.0 8.2 -37.1 -7.4 18 850 A K E -B 35 0A 73 17,-3.2 17,-2.2 -2,-0.7 2,-0.1 -0.838 18.3-117.8-109.6 134.0 5.0 -35.3 -8.1 19 851 A F E +B 34 0A 124 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.374 39.7 157.8 -68.8 138.8 4.3 -31.6 -7.7 20 852 A L E - 0 0 78 13,-2.6 2,-0.3 1,-0.4 14,-0.2 0.600 62.0 -16.8-122.6 -42.3 1.6 -30.7 -5.2 21 853 A Q E -B 33 0A 102 12,-2.0 12,-3.5 0, 0.0 2,-0.6 -0.996 53.4-114.2-166.2 151.9 2.3 -27.1 -4.2 22 854 A Q E +B 32 0A 63 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.883 33.9 171.8 -97.0 124.7 4.8 -24.3 -4.1 23 855 A L E - 0 0 74 8,-2.2 2,-0.3 -2,-0.6 9,-0.2 0.852 50.4 -8.6-101.9 -45.3 5.8 -23.4 -0.5 24 856 A G E -B 31 0A 29 7,-2.0 7,-2.6 2,-0.0 -1,-0.3 -0.998 34.8-161.6-158.8 154.3 8.7 -20.9 -0.4 25 857 A K E +B 30 0A 151 -2,-0.3 5,-0.3 5,-0.3 -3,-0.0 -0.760 28.6 167.5-141.2 93.3 11.4 -18.9 -2.3 26 858 A G - 0 0 60 3,-1.7 -2,-0.0 -2,-0.2 4,-0.0 0.373 53.0 -63.2 -84.8-142.7 14.2 -17.5 -0.2 27 859 A N S S- 0 0 113 1,-0.1 3,-0.1 26,-0.0 -1,-0.0 0.848 125.2 -0.2 -84.9 -36.5 17.5 -16.0 -1.0 28 860 A F S S+ 0 0 45 1,-0.1 25,-2.4 25,-0.1 26,-0.4 0.552 129.0 42.7-122.4 -20.3 19.3 -19.0 -2.7 29 861 A G E - C 0 52A 10 23,-0.2 -3,-1.7 24,-0.1 2,-0.3 -0.752 54.7-157.5-126.0 168.8 16.7 -21.7 -2.5 30 862 A S E -BC 25 51A 3 21,-2.0 21,-2.9 -5,-0.3 2,-0.4 -0.982 14.2-143.4-143.9 153.9 13.0 -22.4 -2.9 31 863 A V E -BC 24 50A 38 -7,-2.6 -8,-2.2 -2,-0.3 -7,-2.0 -0.937 13.4-176.2-124.4 136.3 10.8 -25.2 -1.5 32 864 A E E -BC 22 49A 34 17,-2.4 17,-2.8 -2,-0.4 2,-0.5 -0.847 25.8-122.1-120.7 165.2 7.9 -27.2 -3.0 33 865 A M E +BC 21 48A 26 -12,-3.5 -13,-2.6 -2,-0.3 -12,-2.0 -0.919 39.0 171.5-104.2 133.0 5.5 -29.8 -1.7 34 866 A C E -BC 19 47A 5 13,-2.8 13,-2.8 -2,-0.5 2,-0.4 -0.901 30.4-130.4-135.5 162.3 5.6 -33.1 -3.6 35 867 A R E -BC 18 46A 34 -17,-2.2 -17,-3.2 -2,-0.3 2,-0.8 -0.949 18.1-141.7-109.0 136.1 4.1 -36.6 -3.3 36 868 A Y E +BC 17 45A 34 9,-2.9 9,-1.0 -2,-0.4 -19,-0.2 -0.875 27.7 171.8-100.2 111.5 6.5 -39.5 -3.8 37 869 A D > + 0 0 6 -21,-2.8 3,-1.9 -2,-0.8 5,-0.2 -0.574 15.0 158.0-124.5 65.8 4.6 -42.1 -5.7 38 870 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.755 79.2 56.7 -60.8 -25.3 6.8 -45.0 -6.8 39 871 A L T 3 S- 0 0 136 4,-0.3 5,-0.1 -3,-0.2 -2,-0.0 0.329 100.9-134.4 -90.5 5.9 3.7 -47.3 -7.1 40 872 A Q < + 0 0 114 -3,-1.9 4,-0.1 1,-0.2 -3,-0.0 0.738 69.4 125.8 48.3 27.3 2.1 -44.9 -9.6 41 873 A D S S- 0 0 78 2,-0.4 -1,-0.2 0, 0.0 3,-0.1 0.117 84.5-109.4-101.7 21.7 -1.1 -45.4 -7.6 42 874 A N S S+ 0 0 121 -5,-0.2 2,-0.3 1,-0.1 -5,-0.0 0.746 93.3 95.1 56.3 24.1 -1.7 -41.6 -7.0 43 875 A T + 0 0 88 -8,-0.0 -2,-0.4 2,-0.0 -4,-0.3 -0.975 42.8 122.7-141.9 132.3 -0.8 -42.1 -3.3 44 876 A G - 0 0 37 -2,-0.3 2,-0.2 -7,-0.1 -7,-0.2 -0.930 61.1 -55.2-162.5-173.0 2.5 -41.7 -1.6 45 877 A E E -C 36 0A 99 -9,-1.0 -9,-2.9 -2,-0.3 2,-0.5 -0.553 49.6-125.0 -74.9 140.7 4.3 -39.9 1.1 46 878 A V E +C 35 0A 61 -11,-0.2 53,-0.6 -2,-0.2 2,-0.3 -0.767 38.3 174.3 -86.2 129.8 4.1 -36.1 1.2 47 879 A V E -CD 34 98A 0 -13,-2.8 -13,-2.8 -2,-0.5 2,-0.4 -0.922 32.6-122.4-135.6 154.9 7.6 -34.5 1.2 48 880 A A E -CD 33 97A 5 49,-2.6 49,-3.2 -2,-0.3 2,-0.5 -0.833 27.3-158.1 -95.2 139.9 9.1 -31.0 1.1 49 881 A V E -CD 32 96A 1 -17,-2.8 -17,-2.4 -2,-0.4 2,-0.4 -0.978 2.4-160.5-124.3 120.2 11.7 -30.5 -1.7 50 882 A K E -CD 31 95A 39 45,-2.6 45,-2.6 -2,-0.5 2,-0.3 -0.833 12.7-179.3-101.8 134.6 14.3 -27.9 -1.7 51 883 A K E -CD 30 94A 30 -21,-2.9 -21,-2.0 -2,-0.4 2,-0.2 -0.962 25.9-116.0-132.5 154.8 16.1 -26.6 -4.8 52 884 A L E -C 29 0A 22 41,-0.6 3,-0.2 -2,-0.3 -23,-0.2 -0.536 9.2-150.8 -77.4 145.0 18.8 -24.2 -5.7 53 885 A Q S S+ 0 0 104 -25,-2.4 2,-0.4 1,-0.2 -1,-0.1 0.916 91.4 19.3 -75.6 -47.1 18.1 -21.2 -7.9 54 886 A H - 0 0 126 -26,-0.4 2,-3.0 -3,-0.1 -1,-0.2 -0.820 68.9-153.3-132.3 96.5 21.6 -21.1 -9.3 55 887 A S + 0 0 53 -2,-0.4 2,-0.1 -3,-0.2 -3,-0.0 -0.297 33.3 162.6 -68.2 68.3 23.9 -24.1 -9.1 56 888 A T > - 0 0 39 -2,-3.0 4,-3.1 1,-0.1 5,-0.3 -0.437 57.1-103.9 -74.6 161.7 27.2 -22.2 -9.1 57 889 A E H > S+ 0 0 141 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.905 125.6 45.5 -55.7 -37.1 30.2 -24.2 -7.9 58 890 A E H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.946 113.8 46.4 -71.9 -48.3 29.9 -22.2 -4.7 59 891 A H H > S+ 0 0 59 -5,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.920 113.7 49.0 -61.1 -44.6 26.2 -22.6 -4.3 60 892 A L H X S+ 0 0 53 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.938 109.3 51.6 -60.6 -50.6 26.2 -26.3 -5.0 61 893 A R H X S+ 0 0 159 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.869 112.0 47.6 -54.5 -39.6 29.1 -27.0 -2.5 62 894 A D H X S+ 0 0 82 -4,-2.0 4,-3.0 2,-0.2 3,-0.2 0.956 110.7 51.3 -65.8 -47.6 27.1 -25.1 0.1 63 895 A F H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.3 -2,-0.2 0.905 110.6 48.0 -55.6 -47.7 24.0 -27.1 -0.7 64 896 A E H X S+ 0 0 93 -4,-3.0 4,-2.1 2,-0.2 -1,-0.3 0.811 111.8 50.5 -62.9 -32.8 25.8 -30.4 -0.4 65 897 A R H X S+ 0 0 107 -4,-1.5 4,-2.4 -5,-0.3 -2,-0.2 0.925 110.4 50.3 -68.8 -44.0 27.3 -29.2 2.9 66 898 A E H X S+ 0 0 23 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.854 110.3 49.7 -60.7 -38.0 23.8 -28.3 4.0 67 899 A I H X S+ 0 0 4 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.923 109.4 50.2 -71.2 -44.8 22.5 -31.7 3.0 68 900 A E H X S+ 0 0 112 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.931 110.7 51.4 -56.5 -46.6 25.2 -33.6 4.8 69 901 A I H < S+ 0 0 4 -4,-2.4 4,-0.3 2,-0.2 3,-0.2 0.926 112.8 43.9 -54.3 -50.4 24.5 -31.6 7.9 70 902 A L H >< S+ 0 0 6 -4,-2.1 3,-1.6 1,-0.2 11,-0.4 0.903 111.9 53.2 -63.4 -43.5 20.8 -32.3 7.8 71 903 A K H 3< S+ 0 0 89 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.796 103.9 58.5 -60.1 -31.7 21.4 -36.0 7.1 72 904 A S T 3< S+ 0 0 41 -4,-1.6 2,-0.5 -3,-0.2 -1,-0.3 0.492 93.1 84.7 -80.0 -4.1 23.7 -36.2 10.1 73 905 A L < + 0 0 7 -3,-1.6 8,-0.4 -4,-0.3 2,-0.4 -0.880 45.6 171.0-108.6 129.2 20.9 -35.0 12.5 74 906 A Q + 0 0 164 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.854 30.0 124.0-133.6 102.2 18.3 -37.4 14.0 75 907 A H > - 0 0 55 3,-0.4 3,-1.6 -2,-0.4 56,-0.0 -0.994 65.4-117.3-159.8 145.9 16.2 -35.7 16.7 76 908 A D T 3 S+ 0 0 98 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.728 114.9 45.5 -60.4 -23.6 12.5 -35.0 17.4 77 909 A N T 3 S+ 0 0 11 50,-0.1 83,-3.0 82,-0.1 2,-0.4 0.028 98.4 81.6-113.7 27.3 13.0 -31.2 17.2 78 910 A I B < S-f 160 0B 3 -3,-1.6 -3,-0.4 81,-0.3 83,-0.2 -1.000 90.7-100.4-128.7 131.8 15.0 -31.1 14.0 79 911 A V - 0 0 5 81,-2.3 2,-0.3 -2,-0.4 -6,-0.1 -0.221 47.6-108.3 -47.0 128.7 13.5 -31.3 10.5 80 912 A K - 0 0 112 -4,-0.1 18,-1.9 -6,-0.1 2,-0.4 -0.447 19.4-138.5 -70.0 129.1 13.8 -34.9 9.1 81 913 A Y E + E 0 97A 39 -8,-0.4 16,-0.2 -11,-0.4 3,-0.1 -0.669 26.5 170.1 -74.5 135.1 16.2 -35.7 6.3 82 914 A K E - 0 0 45 14,-2.7 2,-0.3 1,-0.4 15,-0.2 0.697 48.1 -86.9-115.3 -40.4 14.6 -38.0 3.8 83 915 A G E - E 0 96A 0 13,-2.1 13,-3.2 -72,-0.1 -1,-0.4 -0.991 39.1 -80.9 164.1-159.6 17.0 -38.1 0.8 84 916 A V E -aE 11 95A 9 -74,-2.7 -72,-2.8 -2,-0.3 2,-0.4 -0.905 20.6-144.3-135.0 165.8 18.0 -36.4 -2.4 85 917 A C E - E 0 94A 2 9,-2.2 9,-2.1 -2,-0.3 2,-1.3 -0.981 4.3-154.9-134.1 119.5 16.9 -36.3 -6.0 86 918 A Y > + 0 0 78 -2,-0.4 4,-1.2 -74,-0.4 7,-0.2 -0.657 34.0 177.6 -92.1 79.5 19.3 -36.0 -8.9 87 919 A S H >> + 0 0 3 -2,-1.3 4,-1.5 3,-0.2 5,-1.2 -0.086 49.6 53.4 -76.6 178.2 16.7 -34.5 -11.3 88 920 A A H >45S- 0 0 39 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.954 141.9 -47.1 56.4 51.6 17.3 -33.4 -14.9 89 921 A G H 345S- 0 0 58 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.869 108.9 -55.0 60.4 36.1 18.8 -36.7 -15.8 90 922 A R H 3<5S+ 0 0 152 -4,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.796 119.0 110.6 69.3 28.2 21.0 -36.6 -12.7 91 923 A R T <<5S+ 0 0 207 -4,-1.5 2,-0.3 -3,-0.6 -3,-0.2 0.154 73.5 46.1-117.2 17.2 22.4 -33.2 -13.7 92 924 A N S - 0 0 9 -2,-0.5 3,-2.0 1,-0.1 52,-0.2 -0.916 6.0-150.1-110.9 111.2 5.6 -29.6 8.1 101 933 A P T 3 S+ 0 0 74 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 0.742 92.4 47.6 -52.3 -35.1 1.9 -28.7 7.6 102 934 A Y T 3 S- 0 0 89 50,-1.6 51,-0.1 1,-0.2 6,-0.1 0.484 94.0-153.9 -92.6 -1.1 1.9 -25.5 9.6 103 935 A G < + 0 0 26 -3,-2.0 49,-3.4 49,-0.4 -1,-0.2 -0.278 52.0 6.6 68.2-149.0 5.0 -24.0 8.1 104 936 A S B > -G 151 0B 15 47,-0.3 4,-2.4 1,-0.1 47,-0.3 -0.311 63.9-126.9 -71.7 150.9 7.2 -21.6 10.1 105 937 A L H > S+ 0 0 0 45,-2.9 4,-3.2 42,-1.0 5,-0.3 0.872 110.4 61.7 -58.3 -39.8 6.5 -20.8 13.8 106 938 A R H > S+ 0 0 57 41,-1.6 4,-1.6 44,-0.4 -1,-0.2 0.931 109.7 38.0 -55.1 -50.1 6.5 -17.1 12.8 107 939 A D H > S+ 0 0 54 40,-0.2 4,-3.6 2,-0.2 5,-0.2 0.898 115.8 55.2 -65.7 -40.2 3.5 -17.6 10.5 108 940 A Y H X S+ 0 0 2 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.919 108.0 46.3 -61.2 -49.6 1.9 -20.0 12.9 109 941 A L H < S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.902 118.4 45.2 -56.3 -43.7 2.0 -17.6 15.8 110 942 A Q H < S+ 0 0 101 -4,-1.6 3,-0.4 -5,-0.3 -2,-0.2 0.910 120.4 36.6 -67.6 -46.5 0.6 -15.0 13.5 111 943 A K H < S+ 0 0 140 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.488 123.4 39.4 -88.6 -6.9 -2.1 -17.1 11.9 112 944 A H >< + 0 0 41 -4,-1.6 3,-1.6 -5,-0.2 4,-0.2 -0.175 56.8 137.1-142.3 47.5 -3.2 -19.2 14.9 113 945 A K G > S+ 0 0 75 -3,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.787 70.7 71.8 -64.7 -22.8 -3.2 -17.1 18.1 114 946 A E G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.635 103.6 42.0 -64.3 -10.6 -6.5 -18.8 18.9 115 947 A R G < S+ 0 0 80 -3,-1.6 2,-0.5 -6,-0.1 -1,-0.3 0.356 102.3 85.1-118.6 -3.1 -4.5 -21.9 19.5 116 948 A I < + 0 0 13 -3,-1.5 2,-0.2 -4,-0.2 -1,-0.0 -0.914 41.3 152.1-121.0 125.5 -1.6 -20.4 21.4 117 949 A D > - 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0 0 44 -2,-1.4 6,-0.2 -3,-0.4 5,-0.1 -0.862 47.7-152.6-101.8 122.0 24.9 -11.0 27.7 276 1108 A N S S+ 0 0 61 -2,-0.6 2,-1.0 -26,-0.1 -1,-0.2 0.861 86.2 81.3 -56.4 -35.7 27.7 -9.1 26.1 277 1109 A N S >> S- 0 0 70 1,-0.2 3,-1.8 -3,-0.1 4,-0.5 -0.639 74.6-157.7 -75.9 103.6 30.0 -11.4 28.0 278 1110 A V G >4 S+ 0 0 45 -2,-1.0 3,-1.0 1,-0.3 -1,-0.2 0.845 87.8 50.9 -48.9 -42.9 30.0 -14.5 25.8 279 1111 A N G 34 S+ 0 0 153 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.566 102.7 60.3 -80.4 -7.8 31.0 -16.9 28.6 280 1112 A Q G <4 S+ 0 0 128 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.524 77.8 105.2 -98.5 -7.5 28.4 -15.8 31.0 281 1113 A R S << S- 0 0 16 -3,-1.0 -8,-0.2 -4,-0.5 -9,-0.0 -0.521 79.2-110.6 -69.0 141.0 25.4 -16.7 28.7 282 1114 A P - 0 0 18 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.238 31.2-110.1 -70.6 162.9 23.7 -19.9 29.9 283 1115 A S > - 0 0 44 1,-0.1 4,-2.3 -78,-0.0 5,-0.1 -0.453 25.3-110.5 -87.1 167.5 23.9 -23.1 28.0 284 1116 A F H > S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.803 121.9 54.3 -67.3 -29.5 21.0 -24.7 26.1 285 1117 A R H > S+ 0 0 165 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.863 108.5 48.8 -71.0 -38.8 20.9 -27.5 28.7 286 1118 A D H > S+ 0 0 90 2,-0.2 4,-2.1 3,-0.1 -2,-0.2 0.915 113.6 48.9 -57.6 -47.5 20.7 -24.8 31.4 287 1119 A L H X S+ 0 0 5 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.944 110.1 47.4 -63.0 -52.8 17.9 -23.2 29.4 288 1120 A A H X S+ 0 0 2 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.908 113.4 49.3 -58.0 -44.9 15.8 -26.4 28.7 289 1121 A L H X S+ 0 0 95 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.913 113.1 46.4 -58.0 -44.6 16.0 -27.4 32.4 290 1122 A R H X S+ 0 0 103 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.943 115.7 46.2 -66.8 -44.6 15.0 -23.9 33.6 291 1123 A V H X S+ 0 0 2 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.889 113.4 47.3 -65.2 -42.3 12.1 -23.8 31.1 292 1124 A D H X S+ 0 0 42 -4,-2.9 4,-3.0 -5,-0.2 -1,-0.2 0.879 111.9 52.1 -67.3 -36.5 10.9 -27.4 31.8 293 1125 A Q H X S+ 0 0 96 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.910 108.2 49.6 -64.1 -44.4 11.0 -26.6 35.5 294 1126 A I H X S+ 0 0 9 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.928 115.4 45.9 -58.1 -42.7 9.0 -23.4 35.1 295 1127 A R H >< S+ 0 0 78 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.903 115.0 45.5 -63.7 -43.7 6.5 -25.6 33.1 296 1128 A D H 3< S+ 0 0 127 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.821 103.2 64.9 -73.9 -30.9 6.6 -28.4 35.7 297 1129 A N H 3< S+ 0 0 121 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.722 80.9 101.1 -69.4 -15.2 6.2 -26.0 38.6 298 1130 A M S << S- 0 0 75 -3,-0.7 -3,-0.0 -4,-0.6 -4,-0.0 -0.319 86.4-114.9 -70.8 155.2 2.7 -24.9 37.5 299 1131 A A 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.889 360.0 360.0 -58.1 -40.1 -0.4 -26.4 39.2 300 1132 A G 0 0 116 -5,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.337 360.0 360.0-108.5 360.0 -1.3 -28.0 35.9