==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-12 4GVJ . COMPND 2 MOLECULE: NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LIANG,A.V.ABBEMA,L.BAO,K.BARRETT,M.BERESINI,L.BEREZHKOVSKI . 290 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 15.9 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 . 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 . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 0 0 0 1 2 0 0 0 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 2 0 2 0 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 1 889 A P 0 0 130 0, 0.0 75,-0.1 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 -31.6 16.1 13.0 3.0 2 890 A T - 0 0 80 73,-0.3 75,-2.1 1,-0.1 2,-0.5 -0.196 360.0-147.5 -57.4 140.1 15.1 16.2 1.2 3 891 A V E -a 77 0A 95 73,-0.2 2,-0.5 75,-0.0 75,-0.2 -0.972 5.5-158.2-115.1 124.4 11.6 17.7 1.9 4 892 A F E -a 78 0A 17 73,-2.5 75,-0.6 -2,-0.5 2,-0.4 -0.892 18.5-131.2-101.0 127.6 9.8 19.6 -0.9 5 893 A H > - 0 0 79 -2,-0.5 3,-1.4 1,-0.1 4,-0.2 -0.708 2.2-144.0 -84.1 129.3 7.1 22.0 0.3 6 894 A K G > S+ 0 0 97 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.822 95.5 77.2 -57.4 -31.1 3.7 21.6 -1.5 7 895 A R G 3 S+ 0 0 166 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.734 100.8 35.6 -46.5 -40.2 3.5 25.5 -1.2 8 896 A Y G < S+ 0 0 74 -3,-1.4 21,-2.5 2,-0.0 2,-0.5 0.287 90.5 110.2-105.9 7.5 6.0 26.0 -4.1 9 897 A L E < -B 28 0A 19 -3,-1.8 2,-0.5 19,-0.2 19,-0.2 -0.770 45.5-171.2 -89.0 123.1 4.9 23.1 -6.4 10 898 A K E -B 27 0A 149 17,-2.3 17,-2.4 -2,-0.5 2,-0.1 -0.968 20.6-130.8-119.2 114.0 3.2 24.2 -9.6 11 899 A K E +B 26 0A 93 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.365 29.9 170.2 -63.3 132.7 1.6 21.5 -11.8 12 900 A I E - 0 0 70 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.763 60.1 -37.5-107.2 -55.7 2.5 21.7 -15.5 13 901 A R E -B 25 0A 121 12,-1.2 12,-3.5 0, 0.0 -1,-0.4 -0.975 58.0 -93.0-164.1 165.4 1.1 18.4 -16.9 14 902 A D E -B 24 0A 71 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.551 27.8-177.7 -83.0 151.6 0.6 14.7 -16.2 15 903 A L E - 0 0 66 8,-3.2 2,-0.3 1,-0.5 9,-0.2 0.602 67.0 -3.7-119.6 -28.7 3.3 12.3 -17.5 16 904 A G E S+B 23 0A 31 7,-2.0 7,-3.3 2,-0.0 -1,-0.5 -0.958 75.8 151.7-168.3 149.4 1.8 9.0 -16.5 17 905 A E + 0 0 123 -2,-0.3 5,-0.2 5,-0.3 2,-0.1 -0.621 9.4 73.8-139.5-168.5 -1.2 7.4 -14.7 18 906 A G + 0 0 18 -2,-0.2 2,-0.7 3,-0.1 27,-0.1 -0.523 57.5 46.8-140.0 -66.6 -3.6 5.9 -13.4 19 907 A H S S- 0 0 169 1,-0.3 -2,-0.1 -2,-0.1 3,-0.0 -0.900 124.4 -11.9 -97.1 109.6 -4.8 3.1 -11.2 20 908 A F S S+ 0 0 71 -2,-0.7 25,-2.4 23,-0.0 -1,-0.3 -0.952 130.5 39.4-119.5 8.6 -3.2 3.3 -8.6 21 909 A G E - C 0 44A 23 23,-0.2 2,-0.3 2,-0.0 23,-0.2 -0.755 52.2-161.2-116.4 164.0 -0.3 5.7 -9.2 22 910 A K E - C 0 43A 61 21,-1.9 21,-2.8 -2,-0.3 2,-0.5 -0.979 5.2-158.4-147.9 133.0 0.2 9.0 -11.1 23 911 A V E +BC 16 42A 34 -7,-3.3 -8,-3.2 -2,-0.3 -7,-2.0 -0.958 21.4 179.5-111.8 123.1 3.4 10.7 -12.3 24 912 A S E -BC 14 41A 3 17,-2.9 17,-3.0 -2,-0.5 2,-0.5 -0.913 27.9-123.5-125.3 153.8 3.1 14.5 -12.9 25 913 A L E +BC 13 40A 0 -12,-3.5 -13,-3.1 -2,-0.3 -12,-1.2 -0.843 36.2 174.4 -95.6 126.3 5.4 17.3 -14.0 26 914 A Y E -BC 11 39A 18 13,-2.9 13,-3.0 -2,-0.5 2,-0.5 -0.918 31.2-135.3-126.4 155.3 5.8 20.2 -11.6 27 915 A C E -BC 10 38A 23 -17,-2.4 -17,-2.3 -2,-0.3 2,-0.9 -0.960 18.3-151.6-106.2 123.3 7.9 23.3 -11.4 28 916 A Y E +BC 9 37A 33 9,-3.2 9,-0.7 -2,-0.5 -19,-0.2 -0.860 28.3 166.0 -96.4 95.5 9.3 23.7 -7.9 29 917 A D > + 0 0 20 -21,-2.5 3,-1.3 -2,-0.9 -20,-0.0 -0.622 16.4 164.0-118.1 76.5 9.6 27.5 -7.7 30 918 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -21,-0.0 0.857 84.1 52.5 -60.1 -34.0 10.2 28.9 -4.1 31 919 A T T 3 S- 0 0 100 -23,-0.1 -2,-0.1 1,-0.1 -23,-0.0 0.631 100.5-140.3 -72.3 -17.7 11.4 32.3 -5.4 32 920 A N S < S+ 0 0 147 -3,-1.3 -1,-0.1 -24,-0.1 -3,-0.0 0.724 74.7 106.4 61.0 28.6 8.2 32.4 -7.6 33 921 A D S S- 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.736 93.1-107.3-102.1 -32.6 10.2 33.9 -10.5 34 922 A G S S+ 0 0 53 -6,-0.0 -6,-0.0 3,-0.0 -5,-0.0 0.380 92.6 108.0 116.3 3.1 10.3 30.9 -12.8 35 923 A T + 0 0 102 -8,-0.0 -7,-0.1 2,-0.0 -6,-0.0 0.461 53.4 125.3 -81.9 -6.8 14.0 29.8 -12.4 36 924 A G - 0 0 17 1,-0.1 -7,-0.2 -9,-0.1 2,-0.1 -0.133 67.8 -98.6 -58.1 148.4 12.7 26.8 -10.4 37 925 A E E -C 28 0A 132 -9,-0.7 -9,-3.2 -10,-0.1 2,-0.5 -0.343 28.1-124.4 -68.4 148.6 13.6 23.2 -11.2 38 926 A M E -C 27 0A 96 -11,-0.2 54,-0.7 54,-0.1 2,-0.3 -0.817 36.2-175.7 -92.6 129.4 11.3 21.0 -13.1 39 927 A V E -CD 26 91A 0 -13,-3.0 -13,-2.9 -2,-0.5 2,-0.5 -0.954 28.0-131.8-128.6 153.0 10.5 17.7 -11.2 40 928 A A E -CD 25 90A 8 50,-2.3 50,-3.1 -2,-0.3 2,-0.5 -0.884 28.0-164.3-101.5 122.6 8.6 14.5 -11.8 41 929 A V E -CD 24 89A 1 -17,-3.0 -17,-2.9 -2,-0.5 2,-0.4 -0.975 5.3-159.5-116.0 122.8 6.4 13.8 -8.8 42 930 A K E -CD 23 88A 28 46,-3.0 46,-2.7 -2,-0.5 2,-0.4 -0.883 14.7-170.5-104.1 130.7 4.9 10.3 -8.3 43 931 A A E -C 22 0A 16 -21,-2.8 -21,-1.9 -2,-0.4 2,-0.5 -0.951 22.5-130.7-127.7 147.4 1.9 10.1 -6.1 44 932 A L E -C 21 0A 11 -2,-0.4 -23,-0.2 42,-0.4 41,-0.1 -0.833 37.7-112.4 -92.8 123.4 -0.1 7.3 -4.5 45 933 A K > - 0 0 46 -25,-2.4 3,-1.6 -2,-0.5 38,-0.0 -0.336 18.0-127.5 -59.0 136.9 -3.9 7.7 -5.1 46 934 A A T 3 S+ 0 0 54 1,-0.3 -1,-0.1 39,-0.0 -2,-0.0 0.733 108.3 62.6 -55.8 -27.9 -5.8 8.4 -1.8 47 935 A D T 3 S+ 0 0 130 -27,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.632 78.1 120.4 -72.3 -22.6 -8.2 5.5 -2.7 48 936 A A < - 0 0 10 -3,-1.6 -4,-0.0 -28,-0.2 -29,-0.0 -0.149 58.8-128.9 -52.9 137.0 -5.3 2.9 -2.5 49 937 A G > - 0 0 21 1,-0.0 4,-2.0 4,-0.0 5,-0.1 -0.087 31.7 -88.3 -80.3 178.6 -5.6 0.0 -0.0 50 938 A P H > S+ 0 0 104 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.864 123.9 56.6 -58.3 -39.1 -3.1 -1.2 2.7 51 939 A Q H > S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.941 113.4 39.2 -56.7 -53.1 -1.3 -3.6 0.2 52 940 A H H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.772 115.0 55.1 -69.8 -28.5 -0.5 -0.8 -2.3 53 941 A R H X S+ 0 0 62 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.918 110.5 43.3 -70.8 -44.6 0.3 1.6 0.7 54 942 A S H X S+ 0 0 71 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.876 115.9 50.4 -67.4 -35.2 2.9 -0.8 2.2 55 943 A G H X S+ 0 0 21 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.889 108.9 50.7 -65.7 -42.3 4.2 -1.4 -1.4 56 944 A W H X S+ 0 0 12 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.910 107.9 52.7 -63.1 -42.6 4.4 2.4 -2.0 57 945 A K H X S+ 0 0 130 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.927 111.4 47.7 -57.1 -43.8 6.4 2.8 1.3 58 946 A Q H X S+ 0 0 63 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.882 108.5 53.8 -64.6 -42.8 8.8 0.1 -0.0 59 947 A E H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.907 113.0 42.9 -59.0 -46.8 9.1 1.8 -3.5 60 948 A I H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.939 114.3 51.5 -64.6 -48.8 10.2 5.1 -1.9 61 949 A D H X S+ 0 0 78 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.891 113.1 45.2 -56.3 -43.2 12.5 3.3 0.6 62 950 A I H >X S+ 0 0 4 -4,-2.9 4,-0.8 2,-0.2 3,-0.8 0.960 113.5 47.4 -65.0 -54.4 14.2 1.4 -2.3 63 951 A L H 3< S+ 0 0 4 -4,-2.3 3,-0.4 1,-0.2 11,-0.4 0.803 107.7 58.0 -58.2 -34.4 14.6 4.4 -4.6 64 952 A R H 3< S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.859 108.5 45.8 -62.9 -38.2 16.0 6.5 -1.7 65 953 A T H << S+ 0 0 72 -4,-1.1 2,-0.3 -3,-0.8 -1,-0.2 0.545 96.8 91.3 -82.7 -14.3 18.9 3.9 -1.2 66 954 A L < + 0 0 8 -4,-0.8 8,-0.3 -3,-0.4 2,-0.3 -0.708 44.7 169.8 -90.3 139.7 19.8 3.6 -4.9 67 955 A Y + 0 0 186 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.860 21.0 127.4-150.2 107.3 22.5 5.8 -6.5 68 956 A H > - 0 0 52 3,-0.4 3,-1.8 -2,-0.3 54,-0.1 -0.964 63.3-116.9-160.4 147.4 23.7 5.0 -10.0 69 957 A E T 3 S+ 0 0 131 -2,-0.3 4,-0.1 1,-0.3 53,-0.1 0.694 117.6 46.8 -63.3 -18.1 24.1 6.9 -13.3 70 958 A H T 3 S+ 0 0 3 80,-0.1 81,-3.0 2,-0.1 2,-0.4 0.118 98.3 81.5-111.7 22.9 21.6 4.4 -14.9 71 959 A I B < S-f 151 0B 4 -3,-1.8 -3,-0.4 79,-0.3 81,-0.2 -0.981 93.2 -99.4-126.6 132.9 18.9 4.7 -12.2 72 960 A I - 0 0 4 79,-2.8 2,-0.6 -2,-0.4 -4,-0.1 -0.238 46.5-108.5 -52.4 136.3 16.4 7.6 -12.0 73 961 A K - 0 0 77 -4,-0.1 18,-2.4 -6,-0.1 2,-0.3 -0.674 21.5-143.0 -80.6 120.6 17.6 10.1 -9.5 74 962 A Y E + E 0 90A 31 -2,-0.6 16,-0.2 -11,-0.4 3,-0.1 -0.576 20.5 177.4 -70.3 131.4 15.6 10.4 -6.2 75 963 A K E - 0 0 61 14,-2.6 -73,-0.3 1,-0.4 2,-0.3 0.702 50.7 -82.6-109.2 -34.7 15.4 14.2 -5.2 76 964 A G E - E 0 89A 0 13,-1.8 13,-2.4 -75,-0.1 -1,-0.4 -0.980 46.0 -74.3 161.6-158.4 13.3 13.9 -2.0 77 965 A C E -aE 3 88A 8 -75,-2.1 -73,-2.5 -2,-0.3 2,-0.4 -0.930 22.7-148.4-134.9 155.0 9.7 13.6 -0.8 78 966 A C E -aE 4 87A 0 9,-2.3 9,-3.2 -2,-0.3 2,-0.6 -0.962 29.4-113.9-122.7 139.3 6.7 15.9 -0.4 79 967 A E E - E 0 86A 120 -75,-0.6 2,-1.0 -2,-0.4 7,-0.2 -0.662 25.4-159.4 -75.0 116.3 4.1 15.5 2.3 80 968 A D E >>> + E 0 85A 27 5,-2.0 5,-1.5 -2,-0.6 4,-0.8 -0.836 14.6 176.8-100.4 88.1 0.8 14.6 0.4 81 969 A A T 345S+ 0 0 74 -2,-1.0 -1,-0.2 1,-0.2 5,-0.0 0.817 78.8 54.3 -62.5 -32.7 -1.7 15.6 3.1 82 970 A G T 345S+ 0 0 69 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.718 116.8 35.2 -72.8 -26.0 -4.6 14.7 0.8 83 971 A A T <45S- 0 0 7 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.937 103.5-132.2 -66.7 -57.7 -3.3 11.2 0.2 84 972 A A T <5S+ 0 0 63 -4,-0.8 -3,-0.2 1,-0.1 2,-0.2 0.393 73.2 64.5-107.4 108.0 -2.2 10.9 3.2 85 973 A S E - 0 0 9 -2,-0.5 3,-1.3 1,-0.1 50,-0.2 -0.895 5.4-156.4-105.0 108.0 13.6 13.3 -17.9 94 982 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 50,-0.1 0.829 87.3 55.7 -57.0 -35.2 12.2 15.3 -20.8 95 983 A L T 3 S- 0 0 65 48,-0.8 49,-0.1 1,-0.2 50,-0.0 0.638 94.9-156.3 -74.0 -14.1 12.4 12.6 -23.4 96 984 A G < - 0 0 21 -3,-1.3 47,-3.1 47,-0.4 -1,-0.2 -0.267 39.7 -16.7 71.7-160.6 10.3 10.2 -21.3 97 985 A S B >> -G 142 0B 7 45,-0.3 4,-2.4 1,-0.1 3,-0.5 -0.414 59.2-117.2 -75.6 159.5 10.2 6.4 -21.6 98 986 A L H 3> S+ 0 0 0 43,-2.4 4,-2.3 40,-0.9 41,-0.2 0.799 115.8 63.5 -62.6 -29.6 11.6 4.4 -24.5 99 987 A R H 34 S+ 0 0 115 39,-0.9 -1,-0.2 42,-0.3 40,-0.1 0.891 113.2 32.9 -63.2 -38.0 8.0 3.1 -25.0 100 988 A D H <4 S+ 0 0 95 -3,-0.5 4,-0.2 38,-0.2 -2,-0.2 0.818 123.7 45.5 -87.1 -33.0 6.9 6.7 -25.7 101 989 A Y H >X S+ 0 0 26 -4,-2.4 3,-1.2 1,-0.1 4,-0.6 0.907 104.6 56.4 -76.7 -51.7 10.1 8.0 -27.4 102 990 A L G >< S+ 0 0 3 -4,-2.3 3,-1.1 1,-0.2 -3,-0.1 0.859 97.3 59.9 -56.4 -41.8 11.0 5.1 -29.9 103 991 A P G 34 S+ 0 0 58 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.723 116.1 37.4 -61.8 -16.0 7.7 5.0 -31.9 104 992 A R G <4 S+ 0 0 207 -3,-1.2 2,-0.4 -4,-0.2 -2,-0.2 0.423 114.9 55.0-111.1 -6.2 8.4 8.6 -32.9 105 993 A H S << S- 0 0 85 -3,-1.1 2,-0.7 -4,-0.6 -1,-0.2 -0.915 71.4-141.8-140.4 111.2 12.2 8.6 -33.3 106 994 A S - 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0 0 54 -3,-1.7 -3,-0.2 1,-0.3 -104,-0.1 0.814 63.1 -72.5 56.0 33.0 11.2 0.6 -31.7 210 1098 A C T 3 S+ 0 0 98 -2,-0.3 3,-0.9 1,-0.3 6,-0.3 0.824 100.5 57.6 -53.7 -38.9 2.5 -1.5 -30.7 213 1101 A S G 3 S+ 0 0 70 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.650 114.3 39.4 -69.3 -16.0 1.7 -4.1 -33.4 214 1102 A Q G < S+ 0 0 34 -3,-1.6 -1,-0.2 -6,-0.1 -2,-0.2 0.320 88.1 129.1-112.7 4.0 4.9 -6.0 -32.5 215 1103 A S S <> S- 0 0 27 -3,-0.9 4,-2.6 -4,-0.4 5,-0.3 -0.192 72.7-108.6 -60.5 154.7 4.6 -5.5 -28.6 216 1104 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.894 119.5 48.6 -53.8 -45.9 5.0 -8.6 -26.4 217 1105 A P H > S+ 0 0 38 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.929 113.3 48.7 -59.4 -42.8 1.2 -8.6 -25.4 218 1106 A T H > S+ 0 0 52 -6,-0.3 4,-1.9 2,-0.2 5,-0.1 0.950 116.6 40.9 -58.4 -52.9 0.2 -8.3 -29.1 219 1107 A K H X S+ 0 0 48 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.896 117.2 47.1 -65.4 -45.0 2.5 -11.2 -30.3 220 1108 A F H X S+ 0 0 7 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.887 111.7 51.0 -66.2 -36.8 1.8 -13.5 -27.3 221 1109 A L H X S+ 0 0 55 -4,-2.6 4,-3.1 -5,-0.3 -2,-0.2 0.858 105.3 55.3 -70.6 -28.5 -2.0 -13.0 -27.7 222 1110 A E H < S+ 0 0 126 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.859 114.6 42.5 -66.4 -33.7 -1.8 -13.8 -31.4 223 1111 A L H < S+ 0 0 88 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.834 122.4 37.7 -77.0 -37.9 -0.2 -17.1 -30.3 224 1112 A I H < S- 0 0 14 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.872 102.0-132.8 -83.8 -45.3 -2.6 -17.8 -27.4 225 1113 A G < - 0 0 28 -4,-3.1 3,-0.2 -5,-0.2 -1,-0.1 -0.154 12.9-107.6 101.5 157.0 -5.9 -16.6 -28.8 226 1114 A I S S+ 0 0 158 1,-0.2 3,-0.2 -2,-0.1 2,-0.1 0.348 102.8 70.7-107.4 7.3 -8.5 -14.3 -27.1 227 1115 A A + 0 0 90 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 -0.453 62.8 113.6-117.2 56.7 -11.2 -16.9 -26.3 228 1116 A Q > - 0 0 58 1,-0.3 3,-2.1 -3,-0.2 -1,-0.1 0.211 62.6-143.5-114.5 17.4 -9.4 -18.8 -23.5 229 1117 A G G > S- 0 0 75 1,-0.3 3,-0.5 -3,-0.2 -1,-0.3 -0.272 77.7 -18.5 54.6-134.7 -11.4 -18.0 -20.3 230 1118 A Q G 3 S+ 0 0 205 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.209 120.7 95.3 -84.6 19.5 -9.1 -17.6 -17.3 231 1119 A M G <> + 0 0 89 -3,-2.1 4,-2.6 1,-0.2 5,-0.3 0.282 39.7 102.6-101.7 14.6 -6.4 -19.5 -19.3 232 1120 A T H <> S+ 0 0 47 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.932 88.8 44.7 -60.8 -42.9 -4.1 -16.9 -20.9 233 1121 A V H > S+ 0 0 51 -3,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.901 113.6 51.1 -67.6 -39.1 -1.3 -17.3 -18.3 234 1122 A L H > S+ 0 0 87 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.942 113.0 44.8 -60.6 -50.2 -1.6 -21.2 -18.5 235 1123 A R H X S+ 0 0 93 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.831 113.2 52.2 -63.1 -34.4 -1.3 -21.1 -22.4 236 1124 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.964 109.9 47.3 -65.6 -50.7 1.5 -18.6 -22.1 237 1125 A T H X S+ 0 0 13 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.900 114.1 49.5 -56.5 -43.7 3.4 -20.9 -19.7 238 1126 A E H X S+ 0 0 81 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.889 110.4 47.8 -65.2 -43.7 2.8 -23.9 -22.1 239 1127 A L H <>S+ 0 0 3 -4,-2.5 5,-2.3 2,-0.2 4,-0.2 0.892 113.6 47.9 -66.3 -38.1 4.0 -22.1 -25.2 240 1128 A L H ><5S+ 0 0 3 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.926 109.9 52.5 -67.8 -41.9 7.2 -20.9 -23.4 241 1129 A E H 3<5S+ 0 0 86 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.820 104.6 56.6 -63.9 -29.5 7.8 -24.5 -22.1 242 1130 A R T 3<5S- 0 0 168 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.494 124.5-108.0 -77.1 -5.5 7.5 -25.8 -25.7 243 1131 A G T < 5 + 0 0 37 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.509 67.6 150.4 92.1 7.7 10.3 -23.3 -26.6 244 1132 A E < + 0 0 65 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.3 -0.495 21.0 176.7 -73.0 140.4 8.2 -20.8 -28.5 245 1133 A R - 0 0 32 -2,-0.2 16,-0.0 1,-0.0 -5,-0.0 -0.909 38.7 -77.1-138.6 168.3 9.6 -17.3 -28.3 246 1134 A L - 0 0 4 -2,-0.3 -1,-0.0 1,-0.1 -42,-0.0 -0.346 63.7-103.7 -61.8 143.9 9.0 -13.7 -29.6 247 1135 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.174 36.6 -86.5 -72.2 169.0 10.2 -13.5 -33.2 248 1136 A R - 0 0 132 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.595 50.5-120.6 -71.3 120.6 13.4 -11.9 -34.5 249 1137 A P > - 0 0 2 0, 0.0 3,-2.0 0, 0.0 -41,-0.1 -0.299 37.2 -87.1 -64.1 150.6 12.7 -8.1 -35.1 250 1138 A D T 3 S+ 0 0 142 1,-0.3 0, 0.0 -42,-0.0 0, 0.0 -0.348 115.1 9.1 -54.9 130.0 13.2 -6.8 -38.6 251 1139 A K T 3 S+ 0 0 202 1,-0.2 -1,-0.3 -3,-0.1 -142,-0.1 0.393 89.6 140.5 74.3 0.8 16.9 -5.7 -39.0 252 1140 A C < - 0 0 1 -3,-2.0 -1,-0.2 1,-0.1 5,-0.0 -0.604 59.0-116.2 -70.7 126.7 18.0 -7.3 -35.6 253 1141 A P > - 0 0 19 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.366 20.4-118.2 -63.4 147.4 21.4 -8.9 -36.3 254 1142 A A H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.875 113.9 52.4 -52.7 -44.3 21.4 -12.7 -35.8 255 1143 A E H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 108.0 51.8 -62.5 -36.5 23.9 -12.6 -32.9 256 1144 A V H > S+ 0 0 1 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.903 109.8 48.8 -68.1 -40.5 21.7 -10.0 -31.1 257 1145 A Y H X S+ 0 0 32 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.880 110.0 51.9 -66.2 -37.5 18.7 -12.3 -31.5 258 1146 A H H X S+ 0 0 126 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.874 109.3 49.9 -64.2 -36.9 20.9 -15.3 -30.2 259 1147 A L H X S+ 0 0 21 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.920 110.9 50.1 -64.3 -44.6 21.8 -13.1 -27.2 260 1148 A M H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 3,-0.4 0.916 109.5 50.5 -56.9 -50.7 18.0 -12.4 -26.7 261 1149 A K H < S+ 0 0 84 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.826 106.7 55.0 -59.8 -31.9 17.3 -16.1 -26.9 262 1150 A N H >< S+ 0 0 58 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.826 105.1 51.8 -72.7 -32.3 20.0 -16.8 -24.3 263 1151 A C H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.796 109.3 55.3 -69.3 -26.8 18.2 -14.3 -21.9 264 1152 A W T 3< S+ 0 0 4 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.096 74.1 142.5 -96.2 24.1 15.1 -16.4 -22.7 265 1153 A E < - 0 0 70 -3,-1.2 6,-0.1 1,-0.1 -3,-0.1 -0.424 52.0-138.9 -62.5 136.6 16.5 -19.8 -21.6 266 1154 A T S S+ 0 0 45 -26,-0.1 2,-0.7 1,-0.1 -83,-0.2 0.935 93.5 70.8 -60.0 -45.9 13.7 -21.9 -19.9 267 1155 A E S > S- 0 0 113 1,-0.2 3,-2.0 -85,-0.1 4,-0.4 -0.669 81.4-148.7 -76.0 110.3 16.3 -23.0 -17.3 268 1156 A A G > S+ 0 0 18 -2,-0.7 3,-1.0 1,-0.3 -1,-0.2 0.772 94.4 56.4 -50.2 -34.7 17.0 -19.9 -15.2 269 1157 A S G 3 S+ 0 0 97 1,-0.2 -1,-0.3 -3,-0.0 4,-0.1 0.636 97.2 62.7 -75.8 -15.3 20.7 -20.9 -14.5 270 1158 A F G < S+ 0 0 132 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.576 87.5 93.5 -83.8 -9.8 21.4 -21.2 -18.3 271 1159 A R S < S- 0 0 12 -3,-1.0 -8,-0.2 -4,-0.4 2,-0.1 -0.531 84.1-112.9 -78.4 146.3 20.7 -17.4 -18.6 272 1160 A P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.431 29.9-121.9 -74.5 155.7 23.6 -14.9 -18.4 273 1161 A T > - 0 0 73 1,-0.1 4,-1.5 -2,-0.1 3,-0.1 -0.480 28.4-104.7 -86.2 171.8 23.7 -12.6 -15.4 274 1162 A F H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -150,-0.2 0.905 124.2 57.8 -65.7 -33.5 23.7 -8.8 -15.9 275 1163 A E H 4 S+ 0 0 131 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.895 106.6 47.6 -60.8 -38.0 27.4 -8.9 -14.9 276 1164 A N H > S+ 0 0 86 1,-0.2 4,-0.9 2,-0.1 -1,-0.2 0.804 108.6 56.7 -70.2 -30.8 28.1 -11.3 -17.8 277 1165 A L H X S+ 0 0 1 -4,-1.5 4,-3.2 1,-0.2 5,-0.3 0.807 90.6 72.8 -72.7 -31.1 26.0 -9.1 -20.2 278 1166 A I H X S+ 0 0 27 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.928 101.0 38.4 -55.5 -55.9 28.0 -6.0 -19.7 279 1167 A P H > S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.887 116.9 54.2 -65.2 -31.6 31.2 -6.9 -21.6 280 1168 A I H X S+ 0 0 75 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.955 111.8 42.5 -62.6 -53.3 29.1 -8.7 -24.3 281 1169 A L H X S+ 0 0 1 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.856 111.7 55.5 -65.9 -31.8 27.0 -5.6 -25.0 282 1170 A K H X S+ 0 0 104 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.927 111.8 44.6 -61.9 -44.6 30.1 -3.3 -24.9 283 1171 A T H X S+ 0 0 101 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.898 114.6 47.5 -65.8 -44.5 31.6 -5.5 -27.6 284 1172 A V H X S+ 0 0 14 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.878 112.4 49.3 -65.9 -42.0 28.4 -5.7 -29.7 285 1173 A H H X S+ 0 0 13 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.917 110.3 51.5 -63.9 -41.7 27.8 -1.9 -29.5 286 1174 A E H < S+ 0 0 118 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.918 109.3 50.9 -60.5 -44.4 31.5 -1.4 -30.5 287 1175 A K H < S+ 0 0 127 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.929 116.9 39.3 -56.2 -51.3 31.0 -3.7 -33.6 288 1176 A Y H < S+ 0 0 64 -4,-2.2 -178,-0.4 -5,-0.1 -1,-0.2 0.614 95.0 97.2 -78.9 -19.0 27.8 -1.8 -34.7 289 1177 A R < 0 0 104 -4,-1.9 -180,-0.0 -3,-0.2 -3,-0.0 -0.334 360.0 360.0 -71.3 156.1 29.0 1.8 -33.9 290 1178 A H 0 0 229 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.091 360.0 360.0-152.2 360.0 30.4 4.0 -36.8