==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 14-AUG-12 4GL9 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR N.J.KERSHAW,J.M.MURPHY,A.LAKTYUSHIN,N.A.NICOLA,J.J.BABON . 1667 25 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1136 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 297 17.8 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 . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 142 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 462 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 4 0 8 2 6 4 4 2 0 2 4 4 4 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 9 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 . 12 16 1 7 12 4 2 6 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 8 4 0 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 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 0 160 0, 0.0 2,-0.3 0, 0.0 74,-0.1 0.000 360.0 360.0 360.0-113.2 -71.0 -4.4 7.5 2 844 A F - 0 0 45 72,-0.2 2,-0.4 26,-0.0 72,-0.0 -1.000 360.0-172.5-146.8 143.5 -74.4 -2.7 7.8 3 845 A E > - 0 0 99 -2,-0.3 3,-1.8 72,-0.1 4,-0.5 -0.987 20.1-146.8-134.9 126.6 -78.1 -3.5 7.4 4 846 A E T 3 S+ 0 0 62 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.652 93.6 74.2 -67.1 -15.1 -80.8 -0.8 7.5 5 847 A R T 3 S+ 0 0 181 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.680 98.6 47.0 -71.1 -17.3 -83.3 -3.3 9.1 6 848 A H S < S+ 0 0 14 -3,-1.8 21,-0.9 2,-0.1 2,-0.6 0.601 85.3 106.8 -96.9 -16.3 -81.3 -3.0 12.4 7 849 A L E -A 26 0A 20 -4,-0.5 2,-0.6 -3,-0.4 19,-0.2 -0.536 56.9-158.8 -69.7 111.8 -81.1 0.8 12.3 8 850 A K E -A 25 0A 82 17,-1.4 17,-1.3 -2,-0.6 2,-0.4 -0.838 17.6-125.4 -98.0 121.5 -83.5 2.2 15.0 9 851 A F E +A 24 0A 66 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.491 37.1 165.5 -68.4 118.0 -84.6 5.8 14.5 10 852 A L E - 0 0 2 13,-2.3 2,-0.3 1,-0.4 14,-0.2 0.871 59.1 -40.3 -97.5 -55.4 -83.9 7.7 17.6 11 853 A Q E -A 23 0A 20 12,-1.9 12,-2.4 1043,-0.1 2,-0.5 -0.963 58.0 -92.7-162.2 171.3 -84.2 11.4 16.5 12 854 A Q E -A 22 0A 55 1043,-0.4 10,-0.3 -2,-0.3 3,-0.1 -0.855 28.0-170.1 -97.3 132.9 -83.5 13.8 13.7 13 855 A L E - 0 0 69 8,-1.6 2,-0.3 -2,-0.5 9,-0.2 0.964 51.9 -62.7 -83.0 -69.7 -80.2 15.7 13.9 14 856 A G E -A 21 0A 36 7,-1.2 7,-2.6 2,-0.0 2,-0.4 -0.957 41.2-112.9-166.5 178.9 -80.4 18.3 11.2 15 857 A K E +A 20 0A 148 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.995 28.7 167.7-133.6 138.6 -80.7 18.8 7.4 16 858 A G E > -A 19 0A 23 3,-0.9 3,-1.5 -2,-0.4 2,-0.2 -0.995 54.8 -18.7-148.1 147.6 -78.2 20.3 4.9 17 859 A N T 3 S- 0 0 76 -2,-0.3 -2,-0.0 1,-0.2 132,-0.0 -0.388 122.6 -23.9 58.0-122.1 -78.0 20.4 1.1 18 860 A F T 3 S+ 0 0 40 -2,-0.2 25,-0.6 31,-0.1 26,-0.4 0.143 122.7 62.2-109.7 18.0 -80.2 17.8 -0.6 19 861 A G E < S-AB 16 42A 2 -3,-1.5 -3,-0.9 23,-0.2 2,-0.4 -0.841 70.4-122.1-137.7 172.4 -80.4 15.3 2.3 20 862 A S E -AB 15 41A 4 21,-3.6 21,-3.1 -2,-0.3 2,-0.5 -0.976 18.8-145.7-121.7 133.0 -81.6 14.7 5.8 21 863 A V E -AB 14 40A 38 -7,-2.6 -8,-1.6 -2,-0.4 -7,-1.2 -0.858 21.2-177.6-102.6 124.3 -79.4 13.7 8.8 22 864 A E E -AB 12 39A 17 17,-4.3 17,-3.2 -2,-0.5 2,-0.7 -0.939 28.2-124.4-125.5 141.7 -80.9 11.5 11.4 23 865 A M E +AB 11 38A 2 -12,-2.4 -13,-2.3 -2,-0.4 -12,-1.9 -0.749 44.9 160.2 -82.9 113.5 -79.6 10.0 14.7 24 866 A C E -AB 9 37A 0 13,-1.9 13,-1.8 -2,-0.7 2,-0.4 -0.746 33.6-133.5-125.2 174.1 -80.0 6.2 14.6 25 867 A R E -AB 8 36A 13 -17,-1.3 -17,-1.4 -2,-0.2 2,-0.7 -0.892 10.5-150.5-137.8 109.5 -78.6 3.2 16.4 26 868 A Y E +A 7 0A 39 9,-0.7 9,-0.5 -2,-0.4 -19,-0.2 -0.659 26.9 161.8 -80.0 113.2 -77.3 0.1 14.6 27 869 A D > - 0 0 10 -21,-0.9 3,-1.3 -2,-0.7 5,-0.2 -0.850 21.9-172.3-137.6 99.5 -77.8 -3.0 16.8 28 870 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -21,-0.0 0.720 89.6 57.4 -60.4 -24.6 -77.7 -6.4 15.1 29 871 A L T 3 S- 0 0 130 -23,-0.0 -2,-0.0 1,-0.0 -23,-0.0 0.697 94.6-144.3 -80.7 -21.2 -78.7 -8.1 18.4 30 872 A Q S < S+ 0 0 87 -3,-1.3 -1,-0.0 1,-0.1 -4,-0.0 0.711 71.1 113.6 59.6 22.9 -81.8 -6.0 18.7 31 873 A D S S- 0 0 87 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.334 87.4-117.8 -99.8 3.1 -81.3 -5.9 22.4 32 874 A N S S+ 0 0 44 -5,-0.2 -6,-0.0 -7,-0.1 -5,-0.0 0.920 84.8 109.6 62.6 51.2 -80.7 -2.2 22.2 33 875 A T + 0 0 69 2,-0.1 -1,-0.1 -8,-0.0 -6,-0.0 0.245 46.6 123.8-128.9 5.1 -77.1 -2.0 23.4 34 876 A G - 0 0 17 1,-0.1 2,-0.2 -9,-0.1 -7,-0.2 -0.046 68.7 -88.1 -66.8 168.8 -75.5 -1.1 20.1 35 877 A E - 0 0 82 -9,-0.5 -9,-0.7 1,-0.1 2,-0.3 -0.539 41.8-114.6 -80.9 144.5 -73.3 1.9 19.4 36 878 A V E +B 25 0A 7 -2,-0.2 50,-0.6 -11,-0.2 2,-0.3 -0.628 38.2 173.6 -82.6 131.8 -74.9 5.2 18.2 37 879 A V E -BC 24 85A 5 -13,-1.8 -13,-1.9 -2,-0.3 2,-0.3 -0.974 30.4-115.8-136.1 152.7 -74.2 6.5 14.7 38 880 A A E -BC 23 84A 13 46,-1.3 46,-2.7 -2,-0.3 2,-0.4 -0.674 27.7-158.9 -87.4 140.5 -75.4 9.4 12.6 39 881 A V E -BC 22 83A 0 -17,-3.2 -17,-4.3 -2,-0.3 2,-0.5 -0.975 6.1-163.3-127.0 126.2 -77.3 8.6 9.3 40 882 A K E +BC 21 82A 11 42,-2.4 42,-3.0 -2,-0.4 2,-0.3 -0.930 17.3 174.0-110.7 125.0 -77.8 10.8 6.3 41 883 A K E -BC 20 81A 65 -21,-3.1 -21,-3.6 -2,-0.5 2,-0.5 -0.834 33.6-104.3-126.2 162.7 -80.5 10.0 3.8 42 884 A L E -B 19 0A 4 38,-0.9 3,-0.2 -2,-0.3 -23,-0.2 -0.756 17.9-160.5 -89.7 128.3 -82.1 11.5 0.6 43 885 A Q S S+ 0 0 105 -25,-0.6 2,-0.5 -2,-0.5 -1,-0.2 0.965 86.8 23.3 -69.5 -55.8 -85.5 13.1 1.0 44 886 A H S S- 0 0 97 -26,-0.4 2,-0.8 2,-0.0 -1,-0.3 -0.962 83.5-140.9-115.2 117.6 -86.4 13.0 -2.7 45 887 A S + 0 0 57 -2,-0.5 2,-0.3 -3,-0.2 3,-0.0 -0.662 36.6 152.8 -84.9 108.6 -84.5 10.5 -4.8 46 888 A T >> - 0 0 60 -2,-0.8 4,-3.6 1,-0.1 3,-1.0 -0.877 54.7-114.9-129.0 164.0 -83.5 11.8 -8.2 47 889 A E H 3> S+ 0 0 142 -2,-0.3 4,-1.0 1,-0.3 5,-0.3 0.825 117.5 54.9 -67.7 -30.9 -80.7 11.1 -10.6 48 890 A E H 34 S+ 0 0 117 3,-0.1 -1,-0.3 2,-0.1 4,-0.0 0.583 121.3 31.0 -77.9 -10.4 -79.2 14.5 -10.2 49 891 A H H <> S+ 0 0 53 -3,-1.0 4,-3.1 3,-0.1 5,-0.3 0.778 114.7 52.5-109.9 -52.1 -79.1 13.9 -6.4 50 892 A L H X S+ 0 0 47 -4,-3.6 4,-1.1 1,-0.2 -3,-0.2 0.806 113.9 46.8 -59.8 -32.0 -78.5 10.2 -5.9 51 893 A R H X S+ 0 0 117 -4,-1.0 4,-1.4 -5,-0.4 -1,-0.2 0.901 115.9 43.5 -74.5 -43.9 -75.5 10.3 -8.2 52 894 A D H > S+ 0 0 52 -5,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.803 110.7 56.1 -72.6 -30.5 -74.1 13.4 -6.5 53 895 A F H X S+ 0 0 0 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.869 107.6 49.1 -68.5 -37.4 -74.8 12.1 -3.1 54 896 A E H X S+ 0 0 70 -4,-1.1 4,-2.2 -5,-0.3 -2,-0.2 0.814 105.4 57.0 -72.3 -32.0 -72.8 9.0 -3.9 55 897 A R H X S+ 0 0 98 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.873 103.5 55.3 -63.8 -36.9 -69.9 11.1 -5.2 56 898 A E H X S+ 0 0 9 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.881 108.0 48.7 -61.1 -40.6 -69.8 12.8 -1.7 57 899 A I H X S+ 0 0 12 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.907 107.8 53.0 -66.6 -43.6 -69.5 9.3 -0.1 58 900 A E H X S+ 0 0 109 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.772 111.9 47.7 -64.7 -26.7 -66.6 8.3 -2.5 59 901 A I H < S+ 0 0 3 -4,-1.4 3,-0.5 2,-0.2 4,-0.4 0.936 113.5 45.2 -75.3 -50.8 -64.8 11.5 -1.5 60 902 A L H >< S+ 0 0 5 -4,-2.5 3,-0.8 1,-0.2 11,-0.4 0.827 108.5 58.7 -62.1 -33.8 -65.4 11.0 2.3 61 903 A K H 3< S+ 0 0 106 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.863 106.6 47.4 -62.7 -37.0 -64.4 7.4 1.9 62 904 A S T 3< S+ 0 0 40 -4,-0.8 2,-0.8 -3,-0.5 -1,-0.3 0.491 96.6 90.9 -83.5 -3.8 -61.0 8.5 0.6 63 905 A L < + 0 0 3 -3,-0.8 2,-0.5 -4,-0.4 8,-0.4 -0.836 46.6 165.1-100.6 109.2 -60.7 11.0 3.4 64 906 A Q + 0 0 153 -2,-0.8 2,-0.3 57,-0.1 5,-0.1 -0.889 24.2 123.2-125.0 100.0 -59.0 9.6 6.5 65 907 A H > - 0 0 52 -2,-0.5 3,-0.8 3,-0.5 53,-0.1 -0.986 65.6-120.1-154.6 156.2 -57.9 12.3 8.9 66 908 A D T 3 S+ 0 0 102 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.814 119.3 42.5 -67.4 -30.4 -58.3 13.3 12.6 67 909 A N T 3 S+ 0 0 19 79,-0.1 80,-2.4 50,-0.1 2,-0.4 0.266 102.9 80.0-102.5 8.0 -59.8 16.6 11.4 68 910 A I B < S-e 147 0B 0 -3,-0.8 -3,-0.5 78,-0.2 80,-0.2 -0.974 95.5-102.1-113.8 131.6 -61.9 15.0 8.7 69 911 A V - 0 0 1 78,-2.4 2,-0.4 -2,-0.4 -4,-0.1 -0.191 42.1-110.5 -54.1 137.7 -65.2 13.4 9.8 70 912 A K - 0 0 82 -4,-0.1 15,-1.5 -6,-0.1 2,-0.3 -0.600 22.9-135.0 -81.5 125.0 -64.9 9.6 9.9 71 913 A Y E -D 84 0A 48 -2,-0.4 13,-0.2 -8,-0.4 -1,-0.1 -0.615 23.3-179.7 -75.7 131.4 -66.7 7.6 7.3 72 914 A K E - 0 0 80 11,-1.5 2,-0.3 -2,-0.3 12,-0.2 0.898 42.4 -72.8 -95.8 -70.7 -68.6 4.6 8.7 73 915 A G E -D 83 0A 0 10,-1.7 10,-2.4 2,-0.0 -1,-0.3 -0.909 38.7-101.5-170.1-166.7 -70.4 2.6 6.1 74 916 A V E +D 82 0A 42 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.949 22.1 174.7-139.2 157.8 -73.3 2.5 3.7 75 917 A C E -D 81 0A 18 6,-2.2 6,-0.9 -2,-0.3 2,-0.3 -0.964 21.6-132.0-158.7 149.5 -76.7 0.9 3.3 76 918 A Y E D 80 0A 135 -2,-0.3 -72,-0.3 4,-0.2 4,-0.2 -0.761 360.0 360.0-107.5 153.2 -79.6 1.2 0.7 77 919 A S 0 0 85 2,-3.1 -2,-0.0 -2,-0.3 0, 0.0 -0.962 360.0 360.0-116.4 360.0 -83.3 1.7 1.2 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 68 0, 0.0 -2,-3.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 96.6 -82.7 5.5 -2.5 80 925 A L E - D 0 76A 15 -4,-0.2 -38,-0.9 -6,-0.0 2,-0.3 -0.311 360.0-160.2 -81.2 165.3 -79.2 5.4 -1.0 81 926 A R E -CD 41 75A 36 -6,-0.9 -6,-2.2 -40,-0.2 2,-0.4 -0.971 6.2-145.2-151.0 132.2 -78.4 6.0 2.7 82 927 A L E -CD 40 74A 0 -42,-3.0 -42,-2.4 -2,-0.3 2,-0.5 -0.839 3.5-154.3-110.0 134.2 -75.1 7.0 4.3 83 928 A I E +CD 39 73A 0 -10,-2.4 -10,-1.7 -2,-0.4 -11,-1.5 -0.894 24.7 158.0-106.3 127.9 -73.6 5.9 7.7 84 929 A M E -CD 38 71A 28 -46,-2.7 -46,-1.3 -2,-0.5 -13,-0.2 -0.878 44.3 -75.3-139.0 170.7 -71.2 8.1 9.6 85 930 A E E -C 37 0A 21 -15,-1.5 2,-0.6 -2,-0.3 -48,-0.2 -0.276 46.5-114.7 -67.0 153.9 -69.9 8.6 13.2 86 931 A Y - 0 0 29 -50,-0.6 -1,-0.1 -49,-0.1 -50,-0.1 -0.831 25.7-171.6 -96.7 117.3 -72.1 10.4 15.8 87 932 A L > - 0 0 17 -2,-0.6 3,-1.3 1,-0.1 52,-0.2 -0.919 8.2-160.5-109.0 107.9 -70.8 13.7 17.1 88 933 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 52,-0.1 0.816 83.6 57.0 -60.9 -42.7 -73.0 14.8 20.0 89 934 A Y T 3 S- 0 0 17 50,-0.7 51,-0.1 51,-0.2 2,-0.1 0.567 95.8-155.8 -72.9 -7.5 -72.3 18.6 20.2 90 935 A G < + 0 0 27 -3,-1.3 49,-2.1 49,-0.3 -1,-0.2 -0.363 44.4 7.4 76.5-146.7 -73.4 18.9 16.5 91 936 A S B > -F 138 0B 23 47,-0.2 4,-2.1 1,-0.1 47,-0.3 -0.402 62.1-127.0 -76.1 147.9 -72.3 21.6 14.1 92 937 A L H > S+ 0 0 0 45,-4.5 4,-2.0 42,-0.3 43,-0.2 0.811 108.9 61.9 -60.3 -31.1 -69.7 24.2 15.0 93 938 A R H > S+ 0 0 65 41,-1.6 4,-0.8 44,-0.5 -1,-0.2 0.955 110.4 34.7 -60.5 -55.1 -72.2 26.8 14.0 94 939 A D H > S+ 0 0 96 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.802 116.9 55.1 -72.2 -30.6 -74.8 26.0 16.7 95 940 A Y H X S+ 0 0 13 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.852 104.0 54.0 -72.0 -34.8 -72.1 25.0 19.3 96 941 A L H < S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.779 111.0 47.2 -70.3 -26.6 -70.4 28.4 19.0 97 942 A Q H < S+ 0 0 63 -4,-0.8 3,-0.5 -5,-0.2 -1,-0.2 0.824 110.7 52.3 -81.6 -34.8 -73.7 30.1 19.7 98 943 A K H < S+ 0 0 129 -4,-1.7 2,-0.7 1,-0.3 3,-0.2 0.971 120.1 29.5 -64.3 -56.6 -74.5 27.8 22.6 99 944 A H < + 0 0 26 -4,-2.2 -1,-0.3 1,-0.2 4,-0.1 -0.692 68.7 141.9-111.5 78.2 -71.3 28.3 24.5 100 945 A K S > S+ 0 0 42 -2,-0.7 3,-0.8 -3,-0.5 -1,-0.2 0.916 79.7 41.6 -77.0 -46.0 -70.0 31.8 23.7 101 946 A E T 3 S+ 0 0 84 -3,-0.2 584,-0.2 1,-0.2 -1,-0.1 0.819 108.6 57.9 -72.8 -35.1 -68.8 32.5 27.2 102 947 A R T 3 S+ 0 0 102 727,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.428 97.9 74.6 -81.6 0.7 -67.2 29.1 27.8 103 948 A I < - 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0 0 20 -2,-0.6 4,-0.4 -25,-0.2 -57,-0.2 -0.407 56.2 -92.8-108.3-172.3 -59.7 26.9 -6.9 188 1033 A V S >> S+ 0 0 50 -27,-0.4 4,-1.1 1,-0.2 3,-0.6 0.768 129.5 59.2 -71.6 -25.5 -57.9 26.0 -3.6 189 1034 A A H 3> S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.727 94.1 63.3 -73.3 -23.1 -57.7 29.8 -3.2 190 1035 A S H 3> S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.698 105.0 47.5 -71.0 -20.2 -61.5 29.9 -3.3 191 1036 A D H <> S+ 0 0 0 -3,-0.6 4,-2.8 -4,-0.4 -2,-0.2 0.742 107.4 54.5 -88.2 -29.5 -61.3 27.7 -0.2 192 1037 A V H X S+ 0 0 5 -4,-1.1 4,-1.3 2,-0.2 -2,-0.2 0.885 112.1 44.8 -67.8 -40.4 -58.7 30.1 1.3 193 1038 A W H X S+ 0 0 1 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.940 114.4 48.4 -63.9 -49.4 -61.3 32.9 0.7 194 1039 A S H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.3 3,-0.2 0.896 110.4 51.5 -58.5 -42.2 -64.1 30.7 2.1 195 1040 A F H X S+ 0 0 2 -4,-2.8 4,-3.3 1,-0.2 -1,-0.3 0.807 102.9 60.9 -62.7 -31.6 -61.9 29.9 5.1 196 1041 A G H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.896 107.5 43.1 -61.4 -41.4 -61.4 33.7 5.5 197 1042 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.843 113.6 52.0 -72.3 -35.0 -65.1 34.0 6.0 198 1043 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.906 108.4 50.7 -64.9 -42.5 -65.1 31.0 8.3 199 1044 A L H X S+ 0 0 4 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.840 110.1 51.6 -62.3 -34.2 -62.3 32.6 10.2 200 1045 A Y H X S+ 0 0 0 -4,-1.4 4,-0.6 1,-0.2 6,-0.3 0.922 105.8 53.6 -65.8 -46.8 -64.5 35.7 10.4 201 1046 A E H X S+ 0 0 5 -4,-2.4 4,-1.0 1,-0.2 5,-0.5 0.823 106.3 55.3 -57.5 -35.0 -67.5 33.6 11.7 202 1047 A L H < S+ 0 0 0 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.939 105.7 45.8 -67.3 -51.5 -65.3 32.2 14.6 203 1048 A F H < S+ 0 0 5 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.464 119.9 42.8 -78.4 -0.2 -64.1 35.5 16.2 204 1049 A T H >< S- 0 0 0 -4,-0.6 3,-0.9 -3,-0.4 -1,-0.2 0.566 91.7-142.5-106.6 -19.4 -67.6 36.9 16.1 205 1050 A Y T 3< - 0 0 36 -4,-1.0 -3,-0.2 -3,-0.5 -4,-0.1 0.575 57.2 -89.1 56.5 13.2 -69.4 33.8 17.2 206 1051 A I T 3 - 0 0 6 -5,-0.5 2,-0.5 -6,-0.3 -1,-0.2 0.952 66.5-168.3 48.2 58.3 -71.8 35.1 14.6 207 1052 A E < - 0 0 46 -3,-0.9 2,-0.8 3,-0.2 3,-0.5 -0.664 46.5 -51.4 -86.4 120.5 -73.6 37.2 17.3 208 1053 A K S S- 0 0 163 -2,-0.5 3,-0.1 1,-0.2 -1,-0.0 -0.353 129.9 -1.4 60.9 -96.2 -76.9 38.8 16.4 209 1054 A S S S+ 0 0 75 -2,-0.8 -1,-0.2 1,-0.1 -2,-0.1 -0.250 100.3 101.2-125.8 45.6 -76.2 40.6 13.2 210 1055 A K + 0 0 38 -3,-0.5 -4,-0.2 -6,-0.1 -3,-0.2 -0.364 53.8 133.0-115.9 48.6 -72.5 40.0 12.6 211 1056 A S > - 0 0 17 -5,-0.1 4,-3.3 1,-0.1 5,-0.3 -0.763 68.7-119.5 -98.2 144.8 -73.3 37.4 10.0 212 1057 A P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.856 116.1 42.8 -50.4 -41.3 -71.6 37.3 6.6 213 1058 A P H > S+ 0 0 44 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.976 116.7 45.7 -67.6 -52.1 -74.9 37.7 4.9 214 1059 A V H > S+ 0 0 63 1,-0.2 4,-1.1 2,-0.2 -5,-0.1 0.815 117.5 45.9 -60.0 -32.7 -76.2 40.4 7.2 215 1060 A E H X S+ 0 0 3 -4,-3.3 4,-1.2 2,-0.2 -1,-0.2 0.920 114.6 44.3 -76.7 -46.6 -72.9 42.2 7.1 216 1061 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 5,-0.2 0.887 114.8 50.7 -64.9 -39.3 -72.4 42.0 3.3 217 1062 A M H X S+ 0 0 35 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.844 106.1 55.9 -64.7 -34.9 -76.1 43.0 2.8 218 1063 A R H < S+ 0 0 132 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.811 110.5 46.0 -65.9 -30.4 -75.6 45.9 5.2 219 1064 A M H < S+ 0 0 65 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.870 118.0 38.7 -82.6 -40.4 -72.7 47.1 2.9 220 1065 A I H < S- 0 0 22 -4,-2.1 4,-0.2 -5,-0.1 -2,-0.2 0.514 125.5 -99.3 -87.3 -5.2 -74.5 46.8 -0.4 221 1066 A G >< - 0 0 24 -4,-1.0 2,-2.0 -5,-0.2 3,-1.0 0.407 21.8-103.4 93.8 129.2 -77.7 48.0 1.1 222 1067 A N T 3 S+ 0 0 117 1,-0.2 -1,-0.1 -4,-0.2 -4,-0.1 -0.375 111.6 63.9 -80.8 59.7 -80.6 45.9 2.3 223 1068 A D T 3 + 0 0 83 -2,-2.0 2,-0.5 -6,-0.2 -1,-0.2 0.397 68.7 99.5-147.3 -33.3 -82.7 46.8 -0.7 224 1069 A K < + 0 0 48 -3,-1.0 2,-0.2 -4,-0.2 -1,-0.1 -0.531 55.3 168.3 -66.4 115.4 -80.8 45.3 -3.7 225 1070 A Q > + 0 0 32 -2,-0.5 3,-0.5 712,-0.1 689,-0.1 -0.742 24.6 36.7-128.7 175.2 -82.6 42.0 -4.5 226 1071 A G T > S- 0 0 3 712,-0.8 3,-1.3 -2,-0.2 714,-0.3 -0.428 113.6 -37.9 83.2-160.9 -82.8 39.3 -7.1 227 1072 A Q T >> S+ 0 0 0 715,-1.7 3,-1.1 712,-1.3 4,-0.7 0.713 127.6 80.2 -70.4 -19.3 -79.9 37.9 -9.1 228 1073 A M H <> S+ 0 0 0 -3,-0.5 4,-1.7 714,-0.4 -1,-0.3 0.570 75.4 74.7 -63.8 -10.2 -78.7 41.5 -9.2 229 1074 A I H <> S+ 0 0 20 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.919 90.3 54.6 -65.9 -44.4 -77.3 41.0 -5.6 230 1075 A V H <> S+ 0 0 0 -3,-1.1 4,-1.8 -4,-0.3 -1,-0.2 0.864 106.9 52.6 -57.8 -38.7 -74.4 38.9 -6.9 231 1076 A F H X S+ 0 0 14 -4,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.955 109.8 45.5 -62.8 -53.5 -73.5 41.8 -9.2 232 1077 A H H X S+ 0 0 51 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.837 110.2 55.9 -60.3 -35.5 -73.4 44.4 -6.5 233 1078 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.904 105.9 50.6 -63.0 -42.7 -71.4 42.0 -4.2 234 1079 A I H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.901 108.7 51.9 -61.3 -41.5 -68.8 41.7 -6.9 235 1080 A E H X S+ 0 0 78 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.863 109.9 50.8 -60.6 -36.6 -68.6 45.5 -7.2 236 1081 A L H <>S+ 0 0 22 -4,-1.7 5,-2.6 2,-0.2 -2,-0.2 0.868 114.1 41.8 -69.9 -38.8 -68.1 45.5 -3.4 237 1082 A L H ><5S+ 0 0 1 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.817 114.0 51.5 -80.2 -32.3 -65.3 42.9 -3.5 238 1083 A K H 3<5S+ 0 0 104 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.779 105.2 57.4 -72.8 -26.3 -63.6 44.5 -6.5 239 1084 A S T 3<5S- 0 0 63 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.164 121.8-109.9 -89.6 17.9 -63.7 47.8 -4.7 240 1085 A N T < 5 + 0 0 53 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.792 69.9 145.5 59.4 33.0 -61.7 46.3 -1.9 241 1086 A G < + 0 0 15 -5,-2.6 2,-0.2 -6,-0.1 -1,-0.2 -0.871 20.6 169.6 -98.9 134.1 -64.6 46.3 0.5 242 1087 A R - 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0 0 18 116,-0.6 2,-1.8 -3,-0.1 3,-0.1 -0.988 45.4-111.5-146.4 149.7 -76.4 0.1 50.4 1193 1017 D P > + 0 0 25 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.592 41.5 179.6 -76.1 80.2 -73.1 -0.4 48.4 1194 1018 D I T 3 S+ 0 0 4 -2,-1.8 3,-0.1 1,-0.3 7,-0.1 0.633 72.0 59.7 -65.9 -16.4 -71.3 -1.4 51.6 1195 1019 D F T 3 S+ 0 0 29 1,-0.2 -1,-0.3 -3,-0.1 23,-0.0 0.760 105.9 47.3 -82.3 -26.0 -67.9 -1.9 49.8 1196 1020 D W S < S+ 0 0 20 -3,-1.4 2,-0.2 2,-0.1 -1,-0.2 0.435 99.5 98.9 -89.9 -2.2 -67.9 1.7 48.6 1197 1021 D Y S S- 0 0 2 -4,-0.4 15,-0.1 -3,-0.1 10,-0.0 -0.568 76.3-117.6 -88.1 149.6 -68.8 2.8 52.1 1198 1022 D A >> - 0 0 0 -2,-0.2 3,-1.0 13,-0.1 4,-0.8 -0.412 30.4-110.2 -74.6 158.1 -66.4 4.1 54.8 1199 1023 D P H >> S+ 0 0 16 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.844 121.4 57.8 -57.1 -35.2 -66.0 2.1 58.1 1200 1024 D E H 3> S+ 0 0 26 1,-0.2 6,-2.2 2,-0.2 4,-1.1 0.759 105.2 50.4 -66.7 -25.1 -67.8 4.9 59.9 1201 1025 D S H <4 S+ 0 0 0 -3,-1.0 -1,-0.2 4,-0.3 6,-0.1 0.638 111.0 50.1 -84.8 -16.4 -70.7 4.4 57.5 1202 1026 D L H << S+ 0 0 0 -4,-0.8 109,-1.5 -3,-0.5 -2,-0.2 0.804 119.3 32.8 -89.0 -34.5 -70.7 0.7 58.3 1203 1027 D T H < S+ 0 0 22 -4,-2.0 114,-0.2 107,-0.1 -3,-0.2 0.942 139.5 10.7 -88.8 -60.1 -70.7 0.9 62.1 1204 1028 D E S < S- 0 0 74 -4,-1.1 -3,-0.2 -5,-0.2 110,-0.1 0.408 95.6-120.0-101.6 0.6 -72.7 4.0 63.0 1205 1029 D S + 0 0 0 -5,-0.3 -19,-1.9 -6,-0.2 2,-0.5 0.893 59.2 157.2 57.4 42.4 -74.1 4.7 59.5 1206 1030 D K E -A 1185 0a 40 -6,-2.2 2,-0.6 -21,-0.2 -21,-0.2 -0.881 26.3-163.4-104.4 123.3 -72.4 8.1 59.5 1207 1031 D F E +A 1184 0a 1 -23,-2.9 -23,-2.5 -2,-0.5 2,-0.2 -0.911 16.5 163.4-112.6 115.0 -71.7 9.7 56.2 1208 1032 D S - 0 0 18 -2,-0.6 4,-0.3 -25,-0.2 -57,-0.2 -0.448 57.3 -94.9-109.6-172.8 -69.3 12.6 55.9 1209 1033 D V S >> S+ 0 0 48 -27,-0.4 4,-1.0 1,-0.2 3,-0.8 0.771 129.0 59.3 -72.4 -25.6 -67.5 14.2 53.0 1210 1034 D A H 3> S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.715 92.4 65.5 -72.9 -22.4 -64.6 11.8 54.0 1211 1035 D S H 3> S+ 0 0 1 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.696 103.9 46.9 -70.6 -19.9 -67.1 8.9 53.4 1212 1036 D D H <> S+ 0 0 0 -3,-0.8 4,-3.1 -4,-0.3 -2,-0.2 0.726 106.4 57.2 -88.1 -28.4 -67.0 10.0 49.8 1213 1037 D V H X S+ 0 0 5 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.893 109.9 45.0 -66.5 -40.8 -63.2 10.2 49.9 1214 1038 D W H X S+ 0 0 2 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.939 114.5 48.5 -63.0 -49.0 -63.2 6.6 50.9 1215 1039 D S H X S+ 0 0 0 -4,-1.1 4,-2.3 1,-0.3 -2,-0.2 0.887 109.9 52.0 -58.6 -41.5 -65.7 5.9 48.2 1216 1040 D F H X S+ 0 0 1 -4,-3.1 4,-2.8 2,-0.2 -1,-0.3 0.817 103.8 58.0 -63.1 -32.6 -63.6 7.8 45.8 1217 1041 D G H X S+ 0 0 0 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.899 109.7 44.0 -61.8 -40.7 -60.7 5.6 46.9 1218 1042 D V H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.848 112.6 51.6 -72.1 -36.6 -62.8 2.6 45.8 1219 1043 D V H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.901 106.4 53.9 -66.0 -41.6 -63.8 4.4 42.6 1220 1044 D L H X S+ 0 0 3 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.826 106.8 53.9 -60.9 -32.1 -60.2 5.1 41.8 1221 1045 D Y H X S+ 0 0 0 -4,-1.0 4,-0.7 1,-0.2 6,-0.3 0.927 104.7 53.2 -65.6 -46.8 -59.6 1.4 42.2 1222 1046 D E H X S+ 0 0 5 -4,-1.8 4,-1.0 1,-0.2 5,-0.5 0.818 106.7 54.8 -57.7 -34.7 -62.3 0.6 39.7 1223 1047 D L H < S+ 0 0 0 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.951 109.3 42.1 -67.4 -52.3 -60.7 2.8 37.1 1224 1048 D F H < S+ 0 0 3 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.450 120.3 44.8 -80.6 0.1 -57.2 1.3 37.1 1225 1049 D T H >< S- 0 0 0 -4,-0.7 3,-1.2 -3,-0.3 -1,-0.2 0.557 92.9-141.6-105.5 -18.1 -58.6 -2.2 37.2 1226 1050 D Y T 3< - 0 0 37 -4,-1.0 -3,-0.2 -3,-0.4 3,-0.2 0.598 57.1 -88.1 56.8 14.2 -61.2 -1.6 34.5 1227 1051 D I T 3 S- 0 0 8 -5,-0.5 2,-0.5 4,-0.3 -1,-0.2 0.939 72.0-175.0 48.5 53.8 -63.1 -3.9 36.9 1228 1052 D E X - 0 0 46 -3,-1.2 2,-0.8 3,-0.2 3,-0.7 -0.693 45.7 -55.5 -89.4 121.0 -61.8 -6.8 35.0 1229 1053 D K T 3 S+ 0 0 99 -2,-0.5 3,-0.2 1,-0.3 6,-0.1 -0.283 130.7 0.1 59.9 -95.4 -62.9 -10.3 35.9 1230 1054 D S T 3 S+ 0 0 63 -2,-0.8 -1,-0.3 1,-0.2 -2,-0.1 -0.272 107.0 94.6-124.5 44.4 -62.1 -10.6 39.6 1231 1055 D K < + 0 0 25 -3,-0.7 -4,-0.3 -6,-0.1 -3,-0.2 -0.174 60.0 125.3-117.2 32.9 -60.6 -7.1 40.1 1232 1056 D S S > S- 0 0 16 -5,-0.2 4,-2.5 -3,-0.2 5,-0.3 -0.710 72.4-120.3 -95.0 144.6 -64.0 -5.9 41.2 1233 1057 D P H > S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.844 114.3 42.9 -50.7 -41.8 -64.6 -4.2 44.6 1234 1058 D P H > S+ 0 0 44 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.974 114.1 49.5 -68.0 -50.7 -67.0 -6.9 45.7 1235 1059 D V H > S+ 0 0 59 1,-0.2 4,-1.2 2,-0.2 -5,-0.1 0.799 113.2 46.2 -59.6 -33.8 -65.0 -9.9 44.4 1236 1060 D E H X S+ 0 0 3 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.919 115.7 44.3 -75.4 -45.1 -61.8 -8.7 46.1 1237 1061 D F H X S+ 0 0 1 -4,-1.4 4,-2.0 -5,-0.3 3,-0.3 0.878 113.8 50.7 -65.4 -40.1 -63.4 -7.9 49.4 1238 1062 D M H X S+ 0 0 40 -4,-3.1 4,-0.8 1,-0.2 -1,-0.2 0.838 105.6 57.4 -65.0 -33.8 -65.3 -11.2 49.4 1239 1063 D R H < S+ 0 0 133 -4,-1.2 -1,-0.2 -5,-0.3 4,-0.2 0.803 109.6 45.8 -65.9 -29.8 -62.1 -13.0 48.6 1240 1064 D M H < S+ 0 0 68 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.868 115.7 41.4 -83.5 -40.2 -60.6 -11.6 51.8 1241 1065 D I H < S- 0 0 25 -4,-2.0 4,-0.2 1,-0.1 -2,-0.2 0.449 126.2 -92.7 -87.5 -1.4 -63.5 -12.2 54.2 1242 1066 D G >< - 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