==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 22-JAN-13 4IVB . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.EIGENBROT,M.STEFFEK . 575 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 15.1 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 37 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 3 3 2 0 4 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 0 5 1 1 2 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 . 4 0 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 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 1 853 A G 0 0 130 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-134.9 -46.7 66.8 -20.9 2 854 A D - 0 0 150 1,-0.1 2,-0.5 3,-0.0 0, 0.0 -0.282 360.0 -78.9 -76.9 162.5 -42.9 67.3 -21.0 3 855 A I - 0 0 162 1,-0.1 2,-0.5 -2,-0.0 -1,-0.1 -0.496 50.2-135.9 -59.0 113.0 -40.2 64.7 -20.1 4 856 A V + 0 0 137 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.1 -0.662 33.7 172.1 -75.0 123.8 -40.2 65.0 -16.3 5 857 A S - 0 0 108 -2,-0.5 2,-0.4 0, 0.0 -3,-0.0 -0.655 36.5 -86.1-118.5 179.8 -36.6 65.0 -15.1 6 858 A E - 0 0 158 -2,-0.2 2,-0.3 1,-0.0 0, 0.0 -0.770 35.9-118.8 -92.9 136.5 -35.0 65.6 -11.7 7 859 A K - 0 0 192 -2,-0.4 -1,-0.0 1,-0.1 0, 0.0 -0.578 35.5-124.9 -64.9 128.3 -34.2 69.1 -10.5 8 860 A K - 0 0 175 -2,-0.3 2,-0.1 3,-0.0 -1,-0.1 -0.693 16.2-135.4 -83.9 121.2 -30.4 69.2 -9.9 9 861 A P - 0 0 100 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.500 40.8 -86.5 -69.2 148.3 -29.3 70.2 -6.4 10 862 A A - 0 0 103 -2,-0.1 2,-0.3 1,-0.1 0, 0.0 -0.360 46.2-125.9 -61.9 125.1 -26.4 72.7 -6.4 11 863 A T - 0 0 138 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.533 21.3-160.5 -76.8 129.9 -23.0 70.9 -6.6 12 864 A E - 0 0 190 -2,-0.3 2,-0.5 2,-0.0 -1,-0.0 -0.714 18.8-122.2 -98.5 159.1 -20.3 71.6 -4.0 13 865 A V - 0 0 133 -2,-0.3 3,-0.0 2,-0.0 -2,-0.0 -0.910 16.1-153.6-102.1 128.8 -16.6 70.9 -4.5 14 866 A D > - 0 0 86 -2,-0.5 3,-1.9 1,-0.1 -2,-0.0 -0.920 3.0-156.4-100.4 114.7 -15.0 68.6 -1.9 15 867 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.598 92.9 57.7 -69.4 -9.2 -11.3 69.4 -1.7 16 868 A T T 3 S+ 0 0 48 70,-0.1 71,-2.3 2,-0.0 2,-0.6 0.321 87.2 91.1 -99.9 5.1 -10.6 65.9 -0.4 17 869 A H B < -a 87 0A 83 -3,-1.9 2,-0.6 69,-0.2 71,-0.2 -0.911 58.2-169.0-105.6 115.5 -12.2 64.2 -3.4 18 870 A F - 0 0 7 69,-2.5 2,-0.4 -2,-0.6 71,-0.4 -0.909 18.5-134.0-106.1 121.8 -9.7 63.5 -6.2 19 871 A E >> - 0 0 77 -2,-0.6 3,-1.8 1,-0.1 4,-0.6 -0.608 10.1-135.8 -76.8 129.0 -11.2 62.4 -9.5 20 872 A K G >4 S+ 0 0 151 -2,-0.4 3,-1.3 69,-0.3 -1,-0.1 0.849 100.3 65.4 -51.1 -37.2 -9.5 59.4 -11.1 21 873 A R G 34 S+ 0 0 164 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.688 106.3 40.9 -67.3 -19.6 -9.5 61.1 -14.5 22 874 A F G <4 S+ 0 0 39 -3,-1.8 21,-3.1 20,-0.0 2,-0.9 0.430 89.5 99.4-103.0 -3.0 -7.1 63.9 -13.4 23 875 A L E << -B 42 0A 22 -3,-1.3 2,-0.6 -4,-0.6 19,-0.2 -0.755 57.1-170.3 -90.1 103.0 -4.8 61.7 -11.3 24 876 A K E -B 41 0A 117 17,-2.9 17,-2.3 -2,-0.9 2,-0.2 -0.853 18.0-129.1-106.3 120.8 -1.8 61.0 -13.5 25 877 A R E +B 40 0A 138 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.406 29.5 169.3 -70.1 129.4 0.9 58.5 -12.5 26 878 A I E - 0 0 76 13,-3.5 2,-0.3 1,-0.3 14,-0.2 0.805 59.5 -40.5-100.5 -53.1 4.5 59.6 -12.6 27 879 A R E -B 39 0A 121 12,-1.5 12,-3.5 0, 0.0 -1,-0.3 -0.985 60.5 -80.1-168.3 166.2 6.4 56.8 -10.9 28 880 A D E -B 38 0A 68 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.525 28.5-178.3 -74.3 139.5 6.5 54.2 -8.0 29 881 A L E - 0 0 67 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.708 60.9 -43.0-101.5 -35.0 7.6 55.5 -4.6 30 882 A G E -B 37 0A 31 7,-1.6 7,-3.0 2,-0.0 2,-0.4 -0.962 47.1-108.6 177.0 169.2 7.5 52.2 -2.7 31 883 A E E -B 36 0A 98 -2,-0.3 5,-0.3 5,-0.2 2,-0.1 -0.961 23.0-171.4-120.7 129.4 5.7 49.0 -1.9 32 884 A G - 0 0 31 3,-3.6 5,-0.0 -2,-0.4 130,-0.0 -0.158 41.3-100.6 -92.3-159.4 3.9 48.2 1.4 33 885 A H S S+ 0 0 76 1,-0.1 26,-0.1 -2,-0.1 -1,-0.1 0.861 121.0 33.7 -90.9 -43.9 2.6 44.7 2.2 34 886 A F S S- 0 0 46 24,-0.1 25,-0.5 28,-0.0 2,-0.3 0.217 133.1 -29.6 -86.0 12.9 -1.0 45.4 1.4 35 887 A G - 0 0 1 23,-0.3 -3,-3.6 2,-0.0 2,-0.3 -0.996 62.3 -90.2 157.3 176.1 -0.2 47.8 -1.4 36 888 A K E -BC 31 57A 46 21,-2.5 21,-2.6 -2,-0.3 2,-0.4 -0.955 18.1-133.0-145.8 157.6 1.9 50.4 -3.1 37 889 A V E -BC 30 56A 22 -7,-3.0 -8,-3.0 -2,-0.3 -7,-1.6 -0.945 21.2-171.9-120.5 134.6 2.5 54.1 -3.3 38 890 A E E -BC 28 55A 28 17,-2.5 17,-2.9 -2,-0.4 2,-0.6 -0.928 26.1-121.8-125.2 144.4 2.9 56.1 -6.5 39 891 A L E +BC 27 54A 3 -12,-3.5 -13,-3.5 -2,-0.3 -12,-1.5 -0.776 43.8 168.7 -78.7 123.3 3.9 59.6 -7.3 40 892 A C E -BC 25 53A 4 13,-2.8 13,-2.5 -2,-0.6 2,-0.5 -0.861 32.7-132.9-125.5 165.4 1.1 61.3 -9.3 41 893 A R E -BC 24 52A 48 -17,-2.3 -17,-2.9 -2,-0.3 2,-0.9 -0.991 14.8-143.4-112.9 129.3 0.2 64.7 -10.4 42 894 A Y E +B 23 0A 30 9,-2.7 9,-0.5 -2,-0.5 -19,-0.2 -0.819 31.6 172.0 -88.4 107.6 -3.4 65.8 -9.9 43 895 A D > + 0 0 20 -21,-3.1 3,-1.4 -2,-0.9 5,-0.1 -0.509 19.4 156.1-128.2 65.0 -3.9 67.8 -13.0 44 896 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.775 81.6 54.4 -62.6 -27.0 -7.5 68.9 -13.6 45 897 A E T 3 S- 0 0 152 -3,-0.2 -2,-0.1 -23,-0.1 -23,-0.0 0.637 102.6-138.0 -81.0 -14.5 -6.3 71.8 -15.8 46 898 A G S < S+ 0 0 62 -3,-1.4 -3,-0.1 -24,-0.1 -1,-0.0 0.729 73.5 103.4 72.0 26.5 -4.3 69.3 -17.9 47 899 A D S S- 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.131 96.2-101.7-127.4 19.3 -1.2 71.4 -18.4 48 900 A N S S+ 0 0 108 -5,-0.1 -5,-0.0 1,-0.1 -6,-0.0 0.771 95.8 108.2 63.4 30.3 1.3 69.7 -15.9 49 901 A T + 0 0 80 2,-0.1 3,-0.1 -8,-0.0 -1,-0.1 0.501 46.4 113.1-109.5 -8.6 0.8 72.5 -13.3 50 902 A G S S- 0 0 14 1,-0.1 -7,-0.2 -9,-0.1 2,-0.1 -0.093 76.8 -85.3 -62.7 163.2 -1.2 70.4 -10.8 51 903 A E - 0 0 89 -9,-0.5 -9,-2.7 -10,-0.1 2,-0.3 -0.392 37.8-121.4 -70.3 142.6 0.1 69.5 -7.4 52 904 A Q E +C 41 0A 81 -11,-0.2 47,-0.6 -2,-0.1 2,-0.3 -0.687 38.3 178.5 -80.5 139.0 2.2 66.4 -6.9 53 905 A V E -CD 40 98A 0 -13,-2.5 -13,-2.8 -2,-0.3 2,-0.5 -0.961 31.3-118.7-141.0 154.1 0.7 63.8 -4.5 54 906 A A E -CD 39 97A 8 43,-2.6 43,-3.3 -2,-0.3 2,-0.5 -0.856 30.5-160.0 -94.1 129.5 1.5 60.4 -3.1 55 907 A V E -CD 38 96A 2 -17,-2.9 -17,-2.5 -2,-0.5 2,-0.5 -0.944 5.3-161.8-121.4 114.7 -1.1 57.8 -3.9 56 908 A K E +CD 37 95A 6 39,-3.0 39,-2.6 -2,-0.5 2,-0.3 -0.833 21.6 161.7 -95.2 129.9 -1.6 54.6 -2.0 57 909 A S E -C 36 0A 15 -21,-2.6 -21,-2.5 -2,-0.5 2,-0.2 -0.912 38.8 -95.1-141.7 165.9 -3.5 51.8 -3.6 58 910 A L - 0 0 48 35,-0.4 -23,-0.3 -2,-0.3 -24,-0.1 -0.540 35.0-117.8 -81.0 148.1 -4.0 48.0 -3.3 59 911 A K 0 0 122 -25,-0.5 -1,-0.1 -2,-0.2 -26,-0.0 -0.764 360.0 360.0 -81.6 126.5 -2.0 45.6 -5.4 60 912 A P 0 0 182 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.913 360.0 360.0 -78.2 360.0 -4.4 43.5 -7.6 61 ! 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 62 918 A H > 0 0 131 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 9.6 -7.7 44.0 1.9 63 919 A I H > + 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 360.0 57.3 -54.8 -42.1 -9.9 46.9 0.8 64 920 A A H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 105.6 49.6 -54.9 -45.4 -11.2 46.8 4.4 65 921 A D H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.864 110.5 48.7 -64.0 -39.8 -7.7 47.3 5.7 66 922 A L H X S+ 0 0 6 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.885 109.8 52.2 -68.2 -38.6 -6.9 50.2 3.4 67 923 A K H X S+ 0 0 91 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.899 110.4 48.9 -61.3 -39.3 -10.2 51.9 4.4 68 924 A K H X S+ 0 0 103 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.914 110.1 51.1 -66.0 -43.0 -9.2 51.5 8.0 69 925 A E H X S+ 0 0 9 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.903 109.3 51.4 -58.3 -43.3 -5.8 53.0 7.3 70 926 A I H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.889 109.6 48.9 -62.4 -42.5 -7.5 55.9 5.6 71 927 A E H X S+ 0 0 90 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.818 112.0 49.7 -67.1 -34.6 -9.8 56.6 8.6 72 928 A I H >< S+ 0 0 17 -4,-2.0 3,-1.2 -5,-0.2 -2,-0.2 0.985 115.9 40.8 -63.8 -56.6 -6.8 56.5 10.9 73 929 A L H >< S+ 0 0 1 -4,-2.6 3,-1.6 1,-0.3 11,-0.4 0.850 106.6 63.1 -65.2 -37.1 -4.7 58.9 8.9 74 930 A R H 3< S+ 0 0 94 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.738 109.8 41.6 -55.8 -27.9 -7.6 61.3 8.1 75 931 A N T << S+ 0 0 71 -3,-1.2 2,-0.5 -4,-0.6 -1,-0.3 0.191 90.2 99.5-113.7 12.1 -8.0 62.0 11.8 76 932 A L < - 0 0 14 -3,-1.6 2,-0.4 -4,-0.1 8,-0.3 -0.905 46.8-179.5 -97.5 127.7 -4.3 62.3 12.8 77 933 A Y + 0 0 168 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.936 25.9 121.8-130.7 106.3 -3.1 65.9 13.1 78 934 A H > - 0 0 57 -2,-0.4 3,-1.7 3,-0.3 -2,-0.0 -0.949 63.3-122.0-164.6 141.6 0.6 66.4 14.0 79 935 A E T 3 S+ 0 0 138 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.711 113.3 51.7 -65.2 -21.8 3.5 68.1 12.4 80 936 A N T 3 S+ 0 0 4 79,-0.1 80,-2.7 47,-0.1 2,-0.4 0.020 96.2 81.0-103.3 26.6 5.5 64.9 12.5 81 937 A I B < S-f 160 0B 3 -3,-1.7 -3,-0.3 78,-0.3 80,-0.2 -1.000 90.5-105.5-128.3 130.0 2.8 62.8 10.8 82 938 A V - 0 0 3 78,-2.7 2,-0.4 -2,-0.4 -6,-0.1 -0.203 43.4-106.6 -54.0 140.0 2.4 62.8 7.0 83 939 A K - 0 0 116 -4,-0.1 15,-2.4 1,-0.1 2,-0.3 -0.571 20.4-135.4 -81.4 125.7 -0.6 64.8 5.8 84 940 A Y E + E 0 97A 48 -2,-0.4 13,-0.2 -11,-0.4 3,-0.1 -0.576 23.6 176.4 -62.6 135.5 -3.8 63.2 4.5 85 941 A K E - 0 0 63 11,-2.9 2,-0.3 1,-0.4 12,-0.2 0.710 47.5 -82.8-115.2 -35.4 -5.1 65.0 1.4 86 942 A G E - E 0 96A 0 10,-2.0 10,-3.1 -69,-0.0 -1,-0.4 -0.994 40.1 -78.4 164.3-159.7 -8.0 62.8 0.3 87 943 A I E -aE 17 95A 39 -71,-2.3 -69,-2.5 -2,-0.3 2,-0.4 -0.914 15.2-145.9-135.2 160.2 -9.3 59.8 -1.5 88 944 A C E - E 0 94A 5 6,-2.0 6,-2.1 -2,-0.3 2,-0.2 -0.992 31.6-176.2-125.6 121.3 -10.0 58.6 -5.0 89 945 A T E E 0 93A 59 -2,-0.4 -69,-0.3 -71,-0.4 4,-0.2 -0.735 360.0 360.0-120.5 166.8 -13.0 56.3 -5.3 90 946 A E 0 0 207 2,-1.5 3,-0.1 -2,-0.2 -1,-0.1 0.058 360.0 360.0 -31.9 360.0 -14.9 54.2 -7.8 91 ! 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 92 951 A G 0 0 45 0, 0.0 -2,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 149.6 -12.2 50.4 -4.9 93 952 A I E - E 0 89A 27 -4,-0.2 -35,-0.4 -3,-0.1 2,-0.4 -0.995 360.0-156.1-151.7 147.0 -10.4 53.3 -3.2 94 953 A K E - E 0 88A 64 -6,-2.1 -6,-2.0 -2,-0.3 2,-0.5 -0.986 18.6-133.2-123.3 141.0 -7.0 55.1 -3.2 95 954 A L E -DE 56 87A 0 -39,-2.6 -39,-3.0 -2,-0.4 2,-0.5 -0.801 17.4-154.4 -92.7 126.5 -5.4 57.1 -0.4 96 955 A I E +DE 55 86A 0 -10,-3.1 -11,-2.9 -2,-0.5 -10,-2.0 -0.902 21.2 168.7-106.6 123.6 -4.0 60.5 -1.4 97 956 A M E -DE 54 84A 7 -43,-3.3 -43,-2.6 -2,-0.5 -13,-0.2 -0.829 41.7 -82.7-124.8 163.7 -1.2 61.9 0.8 98 957 A E E -D 53 0A 28 -15,-2.4 2,-0.5 -2,-0.3 -45,-0.2 -0.339 44.6-126.1 -61.1 148.2 1.2 64.8 0.6 99 958 A F - 0 0 34 -47,-0.6 -47,-0.1 -59,-0.0 -1,-0.1 -0.906 16.1-161.1-101.7 124.1 4.4 64.1 -1.4 100 959 A L > - 0 0 6 -2,-0.5 3,-2.6 1,-0.1 52,-0.2 -0.883 4.9-158.6-105.7 100.4 7.7 64.6 0.3 101 960 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.742 87.3 62.7 -55.1 -28.3 10.4 64.9 -2.5 102 961 A S T 3 S- 0 0 48 50,-0.6 51,-0.1 1,-0.2 5,-0.1 0.674 94.5-157.1 -71.9 -14.3 13.3 64.0 -0.2 103 962 A G < - 0 0 19 -3,-2.6 49,-2.8 49,-0.2 -1,-0.2 -0.286 35.5 -24.5 75.6-158.5 11.8 60.6 0.4 104 963 A S B >> -G 151 0B 6 47,-0.2 4,-2.6 -3,-0.1 3,-1.1 -0.327 66.1 -99.0 -85.3 168.3 12.5 58.5 3.4 105 964 A L H 3> S+ 0 0 0 45,-2.4 4,-2.0 42,-1.0 43,-0.2 0.799 123.0 64.8 -52.4 -29.8 15.5 58.5 5.7 106 965 A K H 34 S+ 0 0 62 41,-0.5 -1,-0.2 44,-0.2 42,-0.1 0.856 112.4 32.0 -65.2 -34.4 16.7 55.5 3.7 107 966 A E H <> S+ 0 0 98 -3,-1.1 4,-0.5 2,-0.1 -2,-0.2 0.849 124.9 43.8 -85.5 -39.5 17.0 57.7 0.5 108 967 A Y H >X S+ 0 0 16 -4,-2.6 4,-0.7 2,-0.1 3,-0.6 0.893 104.5 56.2 -81.5 -46.3 18.0 60.9 2.2 109 968 A L H >X S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 4,-0.5 0.919 103.5 52.2 -60.0 -46.5 20.6 60.0 4.9 110 969 A P H 34 S+ 0 0 59 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.803 114.7 45.0 -61.0 -24.2 23.1 58.3 2.6 111 970 A K H << S+ 0 0 172 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.1 0.494 118.7 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V + 0 0 8 19,-3.1 3,-0.1 -2,-0.6 -1,-0.0 -0.592 28.8 168.5 -84.0 137.0 22.9 21.7 15.4 464 1038 B K S S+ 0 0 104 1,-0.3 2,-0.6 -2,-0.3 -1,-0.2 0.758 70.1 51.0-108.7 -62.8 24.4 24.3 13.0 465 1039 B D + 0 0 64 1,-0.1 -1,-0.3 2,-0.0 -228,-0.1 -0.708 60.2 146.5 -81.0 117.9 22.8 23.7 9.6 466 1040 B D > + 0 0 5 -2,-0.6 3,-1.6 -230,-0.3 -1,-0.1 0.244 27.9 114.1-136.0 10.2 19.0 23.6 10.3 467 1041 B R T 3 S+ 0 0 89 -231,-0.4 -228,-0.5 1,-0.3 -230,-0.1 0.836 86.2 36.6 -59.2 -39.5 17.5 25.2 7.1 468 1042 B D T 3 S+ 0 0 70 -230,-0.1 -1,-0.3 2,-0.1 -230,-0.1 -0.062 83.2 151.5-108.2 32.3 15.8 22.0 5.9 469 1043 B S < - 0 0 14 -3,-1.6 2,-1.9 1,-0.1 3,-0.2 -0.385 54.2-124.6 -63.4 138.0 14.7 20.6 9.3 470 1044 B P > + 0 0 19 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.601 39.4 179.8 -78.3 77.3 11.5 18.4 9.4 471 1045 B V G > + 0 0 5 -2,-1.9 3,-1.4 1,-0.3 8,-0.1 0.771 68.8 62.3 -63.0 -29.8 10.1 20.8 12.0 472 1046 B F G 3 S+ 0 0 16 1,-0.3 -1,-0.3 -3,-0.2 42,-0.0 0.563 107.6 46.0 -75.8 -2.9 6.8 19.0 12.4 473 1047 B W G < S+ 0 0 29 -3,-2.2 2,-0.3 2,-0.1 -1,-0.3 0.358 96.6 107.0-107.3 0.5 8.7 15.9 13.7 474 1048 B Y < - 0 0 8 -3,-1.4 15,-0.1 -4,-0.3 14,-0.0 -0.646 66.5-125.2-102.0 139.0 10.9 17.9 16.0 475 1049 B A >> - 0 0 0 -2,-0.3 4,-2.0 13,-0.3 3,-0.8 -0.252 33.8-106.8 -66.4 156.1 11.0 18.3 19.8 476 1050 B P H 3> S+ 0 0 2 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.893 118.2 56.1 -51.6 -46.8 10.8 21.8 21.4 477 1051 B E H 3>>S+ 0 0 6 83,-0.3 4,-1.7 1,-0.2 6,-1.5 0.798 109.3 47.5 -59.6 -30.6 14.5 21.8 22.4 478 1052 B C H <>5S+ 0 0 9 -3,-0.8 4,-0.7 4,-0.2 -1,-0.2 0.899 116.1 43.7 -73.4 -43.4 15.5 21.2 18.8 479 1053 B L H <5S+ 0 0 2 -4,-2.0 -2,-0.2 2,-0.1 -1,-0.1 0.859 124.8 33.4 -70.1 -37.7 13.2 23.9 17.5 480 1054 B M H <5S+ 0 0 28 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.902 137.4 11.2 -88.0 -45.5 14.1 26.4 20.2 481 1055 B Q H <5S- 0 0 86 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.1 0.494 89.3-120.1-118.3 -9.3 17.8 25.8 21.0 482 1056 B S << + 0 0 8 -4,-0.7 -19,-3.1 -5,-0.7 2,-0.4 0.823 63.8 141.8 68.6 31.5 19.1 23.4 18.3 483 1057 B K E -T 462 0H 42 -6,-1.5 2,-0.5 -21,-0.2 -1,-0.3 -0.885 36.3-156.7-103.4 139.5 20.1 20.8 20.8 484 1058 B F E +T 461 0H 0 -23,-2.1 -23,-1.9 -2,-0.4 2,-0.2 -0.931 15.2 172.7-126.6 111.4 19.5 17.1 20.0 485 1059 B Y >> - 0 0 40 -2,-0.5 3,-1.3 -25,-0.2 4,-1.0 -0.650 49.3-108.4-103.5 162.8 19.2 14.4 22.6 486 1060 B I H >> S+ 0 0 66 -27,-0.5 4,-1.4 1,-0.3 3,-0.6 0.866 124.7 60.6 -52.7 -36.9 18.3 10.7 22.4 487 1061 B A H 3> S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.715 94.8 60.9 -63.1 -25.8 15.0 11.9 23.9 488 1062 B S H <> S+ 0 0 0 -3,-1.3 4,-1.7 2,-0.2 -13,-0.3 0.823 102.6 50.7 -71.2 -34.2 14.5 14.2 20.9 489 1063 B D H S+ 0 0 8 -4,-1.9 5,-3.1 2,-0.2 3,-0.3 0.921 110.5 51.4 -61.7 -44.7 1.8 8.4 10.8 500 1074 B L H ><5S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.918 110.0 49.7 -60.1 -41.8 1.9 4.6 11.1 501 1075 B L H 3<5S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.743 111.6 48.2 -73.4 -24.4 -1.5 4.6 12.8 502 1076 B T T ><5S- 0 0 13 -4,-1.3 3,-1.4 -3,-0.3 -1,-0.3 0.282 114.2-118.8 -93.6 8.6 -2.9 6.9 10.1 503 1077 B Y T < 5 - 0 0 46 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.830 59.0 -74.3 57.1 33.3 -1.4 4.6 7.4 504 1078 B C T 3 S+ 0 0 72 1,-0.3 3,-1.1 -2,-0.3 6,-0.3 0.834 102.5 56.3 -62.3 -34.0 -1.4 12.7 3.3 507 1081 B D G 3 S+ 0 0 131 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.550 113.2 42.3 -79.3 -4.8 -4.5 14.4 4.6 508 1082 B S G < S+ 0 0 36 -3,-1.7 -1,-0.3 -6,-0.1 -2,-0.2 0.223 86.4 131.1-115.1 8.9 -3.6 13.1 8.1 509 1083 B S S <> S- 0 0 17 -3,-1.1 4,-2.6 -4,-0.2 5,-0.3 -0.249 72.1-110.6 -66.5 154.7 0.1 13.8 8.0 510 1084 B P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.852 119.5 49.1 -53.3 -38.9 1.8 15.7 10.9 511 1085 B M H > S+ 0 0 97 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.953 110.6 48.6 -64.9 -52.5 2.3 18.7 8.7 512 1086 B A H > S+ 0 0 34 -6,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.912 117.0 43.3 -53.0 -45.3 -1.3 18.8 7.4 513 1087 B L H X S+ 0 0 43 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.879 114.3 48.1 -71.5 -42.7 -2.6 18.5 10.9 514 1088 B F H X S+ 0 0 8 -4,-2.3 4,-2.8 -5,-0.3 5,-0.4 0.922 109.8 52.1 -65.5 -43.1 -0.2 21.0 12.5 515 1089 B L H X S+ 0 0 42 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.780 108.8 53.1 -64.6 -25.4 -0.8 23.6 9.8 516 1090 B K H < S+ 0 0 181 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.889 111.5 45.8 -70.1 -43.7 -4.5 23.1 10.6 517 1091 B M H < S+ 0 0 81 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.1 0.943 128.7 22.7 -62.2 -50.5 -3.9 23.8 14.3 518 1092 B I H < S- 0 0 19 -4,-2.8 -3,-0.2 1,-0.1 -2,-0.2 0.648 117.9 -92.0 -99.2 -18.2 -1.7 26.9 13.9 519 1093 B G < - 0 0 17 -4,-1.5 3,-0.4 -5,-0.4 -3,-0.2 0.144 18.9-124.5 106.7 135.1 -2.6 28.2 10.4 520 1094 B P S S+ 0 0 97 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.374 97.3 65.4 -89.7 2.6 -1.1 27.5 7.0 521 1095 B T + 0 0 72 -6,-0.1 -339,-0.4 1,-0.1 -340,-0.3 -0.177 65.1 100.7-123.9 39.7 -0.3 31.1 6.0 522 1096 B H > - 0 0 18 -3,-0.4 3,-2.5 1,-0.2 4,-0.2 0.459 53.8-173.0-105.1 -2.5 2.4 32.3 8.5 523 1097 B G G > S+ 0 0 42 1,-0.3 3,-1.9 -3,-0.2 4,-0.3 -0.184 74.0 6.4 48.9-123.2 5.5 31.9 6.3 524 1098 B Q G 3 S+ 0 0 74 -342,-0.5 -282,-0.3 1,-0.3 -1,-0.3 0.506 128.5 62.8 -69.9 -7.7 8.6 32.6 8.4 525 1099 B M G <> S+ 0 0 5 -3,-2.5 4,-2.4 1,-0.1 -1,-0.3 0.480 75.7 97.1 -91.0 -4.9 6.6 32.8 11.6 526 1100 B T H <> S+ 0 0 18 -3,-1.9 4,-2.4 1,-0.2 -2,-0.1 0.906 82.0 46.9 -50.2 -53.0 5.4 29.1 11.2 527 1101 B V H > S+ 0 0 2 -288,-0.3 4,-2.8 -4,-0.3 -1,-0.2 0.865 111.7 49.9 -64.7 -38.0 8.0 27.6 13.6 528 1102 B T H > S+ 0 0 12 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.906 112.0 48.8 -65.9 -39.8 7.5 30.2 16.3 529 1103 B R H X S+ 0 0 49 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.871 111.5 50.6 -65.0 -37.7 3.8 29.6 16.1 530 1104 B L H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.939 109.5 49.7 -61.3 -48.7 4.5 25.8 16.3 531 1105 B V H X S+ 0 0 10 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.891 112.3 48.7 -58.6 -39.7 6.7 26.3 19.4 532 1106 B N H X S+ 0 0 34 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.920 108.1 52.7 -68.4 -43.0 4.0 28.3 21.0 533 1107 B T H <>S+ 0 0 14 -4,-2.3 5,-1.8 1,-0.2 -2,-0.2 0.907 112.5 45.8 -56.6 -44.3 1.3 25.7 20.2 534 1108 B L H ><5S+ 0 0 3 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.828 107.1 58.0 -69.1 -35.8 3.5 23.0 21.8 535 1109 B K H 3<5S+ 0 0 95 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.876 101.9 56.0 -59.4 -38.3 4.2 25.3 24.9 536 1110 B E T 3<5S- 0 0 125 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.513 123.8-106.1 -73.8 -7.2 0.5 25.5 25.5 537 1111 B G T < 5 + 0 0 38 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.504 69.2 148.4 96.1 6.8 0.3 21.7 25.7 538 1112 B K < + 0 0 111 -5,-1.8 -1,-0.3 3,-0.0 2,-0.3 -0.569 18.5 169.5 -76.9 136.0 -1.4 21.2 22.3 539 1113 B R - 0 0 26 -2,-0.3 16,-0.0 1,-0.0 -5,-0.0 -0.866 43.2 -68.7-138.1 169.2 -0.5 17.9 20.5 540 1114 B L - 0 0 2 -2,-0.3 -1,-0.0 1,-0.1 -26,-0.0 -0.329 61.5-109.9 -58.8 144.5 -1.5 15.8 17.5 541 1115 B P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.254 39.2 -81.3 -78.4 164.0 -5.0 14.3 18.1 542 1116 B C - 0 0 54 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.460 53.0-116.4 -62.7 129.0 -5.7 10.6 18.7 543 1117 B P > - 0 0 5 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.320 39.8 -86.7 -64.3 153.4 -5.7 8.8 15.3 544 1118 B P T 3 S+ 0 0 94 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.295 113.6 10.9 -58.1 144.4 -9.0 7.2 14.3 545 1119 B N T 3 S+ 0 0 168 1,-0.2 -142,-0.1 -3,-0.1 -3,-0.0 0.539 93.3 135.9 66.1 8.4 -9.4 3.7 15.6 546 1120 B C < - 0 0 13 -3,-1.8 -1,-0.2 2,-0.0 5,-0.0 -0.808 56.2-124.7 -94.2 120.3 -6.4 4.1 17.9 547 1121 B P >> - 0 0 34 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.264 17.9-120.2 -60.4 145.9 -7.0 2.7 21.4 548 1122 B D H 3> S+ 0 0 98 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.859 112.5 59.8 -58.0 -38.6 -6.4 5.2 24.3 549 1123 B E H 3> S+ 0 0 111 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.832 108.2 44.9 -60.1 -32.5 -3.7 2.9 25.8 550 1124 B V H <> S+ 0 0 2 -3,-1.0 4,-2.0 2,-0.2 3,-0.3 0.931 112.2 51.9 -74.0 -44.0 -1.7 3.2 22.5 551 1125 B Y H X S+ 0 0 21 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.818 105.1 56.4 -60.5 -33.6 -2.3 7.0 22.4 552 1126 B Q H X S+ 0 0 79 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.879 105.4 50.6 -67.8 -37.9 -1.1 7.3 26.0 553 1127 B L H < S+ 0 0 20 -4,-1.1 4,-0.5 -3,-0.3 -2,-0.2 0.920 111.2 50.0 -60.0 -44.3 2.2 5.7 25.0 554 1128 B M H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 4,-0.5 0.914 106.7 54.2 -59.2 -45.1 2.4 8.2 22.1 555 1129 B R H >< S+ 0 0 85 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.838 98.7 62.2 -63.2 -30.5 1.7 11.1 24.5 556 1130 B K G >< S+ 0 0 98 -4,-1.5 10,-1.8 1,-0.3 3,-0.6 0.688 97.6 59.9 -68.4 -16.1 4.7 10.0 26.7 557 1131 B C G < S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.662 103.3 54.0 -77.2 -19.6 6.9 10.7 23.6 558 1132 B W G < + 0 0 6 -3,-1.3 2,-0.2 -4,-0.5 -1,-0.2 -0.066 66.2 142.0-115.1 31.8 5.7 14.3 23.6 559 1133 B E < - 0 0 89 -3,-0.6 6,-0.1 1,-0.1 5,-0.1 -0.553 56.6-127.7 -64.8 136.2 6.4 15.6 27.1 560 1134 B F S S+ 0 0 48 -2,-0.2 -83,-0.3 -26,-0.1 -1,-0.1 0.918 94.2 62.3 -57.0 -45.8 7.6 19.2 26.7 561 1135 B Q S > S- 0 0 103 1,-0.1 3,-1.1 -85,-0.1 4,-0.3 -0.675 79.6-140.7 -85.5 131.7 10.8 18.5 28.8 562 1136 B P G > S+ 0 0 20 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.842 100.8 56.3 -56.6 -42.2 13.3 15.9 27.4 563 1137 B S G 3 S+ 0 0 107 1,-0.3 -2,-0.0 -76,-0.0 0, 0.0 0.683 104.7 54.8 -68.3 -18.9 14.1 14.4 30.8 564 1138 B N G < S+ 0 0 102 -3,-1.1 -1,-0.3 -5,-0.1 2,-0.1 0.435 88.0 103.7 -90.6 -3.5 10.4 13.7 31.3 565 1139 B R S < S- 0 0 20 -3,-1.4 -8,-0.2 -4,-0.3 -9,-0.1 -0.473 76.3-107.8 -78.9 152.7 10.0 11.7 28.1 566 1140 B T - 0 0 16 -10,-1.8 2,-0.2 -13,-0.2 -1,-0.1 -0.157 33.7-121.3 -65.0 169.3 9.7 7.9 28.0 567 1141 B S > - 0 0 58 1,-0.1 4,-2.1 -77,-0.1 5,-0.1 -0.689 20.9-109.5-107.0 168.3 12.6 5.9 26.6 568 1142 B F H > S+ 0 0 6 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.890 119.5 54.5 -65.5 -38.1 12.7 3.4 23.7 569 1143 B Q H > S+ 0 0 92 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 108.5 48.6 -61.8 -37.7 13.1 0.5 26.1 570 1144 B N H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.894 109.9 51.5 -72.1 -39.8 9.9 1.6 28.0 571 1145 B L H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.925 108.1 52.6 -58.3 -44.9 8.0 1.9 24.7 572 1146 B I H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.949 110.8 46.9 -59.6 -47.8 9.1 -1.6 23.7 573 1147 B E H X S+ 0 0 114 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.920 112.4 50.7 -56.0 -46.7 7.8 -2.9 27.1 574 1148 B G H X S+ 0 0 19 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.871 113.8 43.1 -60.9 -42.2 4.5 -1.0 26.7 575 1149 B F H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 3,-0.2 0.921 111.7 53.4 -70.3 -43.5 3.9 -2.3 23.1 576 1150 B E H X S+ 0 0 83 -4,-2.6 4,-1.2 -5,-0.3 -2,-0.2 0.825 107.1 53.6 -60.6 -33.1 4.8 -5.9 24.0 577 1151 B A H < S+ 0 0 71 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.861 108.4 48.7 -67.4 -39.5 2.3 -5.8 26.9 578 1152 B L H < S+ 0 0 63 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.791 109.2 54.4 -70.7 -27.6 -0.4 -4.7 24.5 579 1153 B L H < 0 0 36 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.789 360.0 360.0 -77.4 -30.4 0.5 -7.5 22.1 580 1154 B K < 0 0 224 -4,-1.2 -3,-0.0 -5,-0.2 0, 0.0 -0.256 360.0 360.0 -82.4 360.0 0.2 -10.2 24.7