==== 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 03-AUG-12 4GFO . COMPND 2 MOLECULE: NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.EIGENBROT,M.ULTSCH . 272 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 15.8 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 0 2 1 1 1 0 0 0 0 1 1 0 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 1 2 1 1 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 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 1 890 A T 0 0 131 0, 0.0 65,-1.4 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 124.7 9.8 -27.9 37.6 2 891 A V B -a 66 0A 107 63,-0.2 2,-0.3 65,-0.0 65,-0.2 -0.867 360.0-155.6 -95.9 113.4 6.0 -27.5 37.3 3 892 A F - 0 0 11 63,-2.0 2,-0.5 -2,-0.7 65,-0.4 -0.659 9.2-131.5 -89.6 147.5 5.1 -23.8 37.6 4 893 A H > - 0 0 94 -2,-0.3 3,-1.4 63,-0.1 4,-0.4 -0.916 1.1-150.3-108.3 119.0 1.6 -22.5 38.6 5 894 A K G > S+ 0 0 120 -2,-0.5 3,-0.8 1,-0.3 -1,-0.1 0.730 92.4 71.8 -53.2 -31.9 -0.1 -19.8 36.5 6 895 A R G 3 S+ 0 0 181 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.841 106.0 36.2 -53.7 -42.1 -1.9 -18.5 39.7 7 896 A Y G < S+ 0 0 62 -3,-1.4 21,-1.9 2,-0.0 2,-0.6 0.436 97.7 98.1 -95.4 0.2 1.4 -17.1 41.0 8 897 A L E < +B 27 0A 16 -3,-0.8 2,-0.4 -4,-0.4 19,-0.2 -0.814 52.0 179.2 -92.8 114.2 2.6 -16.1 37.6 9 898 A K E -B 26 0A 138 17,-1.8 17,-2.7 -2,-0.6 2,-0.1 -0.991 26.9-124.3-121.5 122.1 1.9 -12.3 37.0 10 899 A K E +B 25 0A 87 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.421 26.7 178.5 -67.5 132.8 2.9 -10.6 33.7 11 900 A I E - 0 0 70 13,-3.7 2,-0.3 1,-0.3 14,-0.2 0.867 58.9 -26.4 -99.9 -54.4 5.2 -7.5 34.1 12 901 A R E -B 24 0A 179 12,-1.2 12,-2.4 0, 0.0 -1,-0.3 -0.936 63.0 -97.5-168.5 144.2 6.0 -6.3 30.5 13 902 A D E +B 23 0A 68 -2,-0.3 10,-0.2 10,-0.2 8,-0.0 -0.368 24.8 179.4 -67.1 139.9 6.3 -7.5 26.8 14 903 A L E - 0 0 89 8,-2.2 2,-0.3 1,-0.4 9,-0.2 0.753 49.0-103.1-105.7 -40.8 9.7 -8.4 25.3 15 904 A G E -B 22 0A 31 7,-1.7 7,-3.7 0, 0.0 -1,-0.4 -0.949 28.2 -82.2 148.2-165.1 8.6 -9.5 21.8 16 905 A E E +B 21 0A 120 -2,-0.3 5,-0.2 5,-0.3 25,-0.0 -0.980 25.9 175.7-141.4 146.5 7.9 -12.4 19.4 17 906 A G S S+ 0 0 19 3,-1.4 -1,-0.1 -2,-0.3 4,-0.1 0.762 83.3 17.6-115.4 -63.0 10.2 -14.6 17.3 18 907 A H S S- 0 0 59 2,-0.4 3,-0.1 141,-0.0 140,-0.0 -0.478 126.5 -75.2-114.0 54.8 8.5 -17.6 15.5 19 908 A F S S+ 0 0 157 1,-0.2 2,-0.4 -2,-0.1 0, 0.0 0.188 109.7 114.5 67.5 -8.3 4.9 -16.1 16.0 20 909 A G - 0 0 5 23,-0.2 -3,-1.4 21,-0.0 -2,-0.4 -0.763 65.2-131.3 -90.5 126.5 5.2 -17.1 19.7 21 910 A K E -BC 16 42A 80 21,-1.4 21,-2.1 -2,-0.4 2,-0.4 -0.586 13.3-154.8 -86.3 139.8 5.3 -14.2 22.2 22 911 A V E +BC 15 41A 26 -7,-3.7 -8,-2.2 -2,-0.2 -7,-1.7 -0.951 17.7 174.9-114.0 131.2 7.8 -13.7 25.1 23 912 A S E -BC 13 40A 5 17,-2.0 17,-2.9 -2,-0.4 2,-0.5 -0.974 34.8-112.6-138.2 151.1 7.0 -11.7 28.2 24 913 A L E +BC 12 39A 20 -12,-2.4 -13,-3.7 -2,-0.3 -12,-1.2 -0.712 43.1 177.3 -79.9 120.6 8.6 -10.8 31.6 25 914 A Y E -BC 10 38A 41 13,-2.7 13,-2.5 -2,-0.5 2,-0.5 -0.888 26.3-131.0-123.9 157.4 6.6 -12.4 34.4 26 915 A C E -BC 9 37A 15 -17,-2.7 -17,-1.8 -2,-0.3 2,-0.7 -0.950 13.5-154.3-110.6 123.9 7.0 -12.6 38.2 27 916 A Y E +BC 8 36A 27 9,-2.9 9,-1.6 -2,-0.5 -19,-0.2 -0.896 24.9 161.8-101.2 110.7 6.7 -16.0 39.9 28 917 A D > + 0 0 19 -21,-1.9 3,-0.9 -2,-0.7 5,-0.1 -0.592 7.5 157.6-125.8 70.4 5.7 -15.5 43.6 29 918 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.657 82.2 45.9 -70.0 -12.8 4.2 -18.8 45.0 30 919 A T T 3 S- 0 0 115 -23,-0.1 -2,-0.0 0, 0.0 -23,-0.0 0.480 106.0-127.4-103.1 -6.1 4.9 -17.6 48.7 31 920 A N < + 0 0 119 -3,-0.9 -3,-0.1 1,-0.1 -24,-0.0 0.916 55.2 148.5 58.3 53.6 3.5 -14.1 48.2 32 921 A D - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.432 61.9-120.7 -90.1 -2.9 6.5 -12.1 49.5 33 922 A G S S+ 0 0 72 -5,-0.1 -5,-0.0 1,-0.1 -2,-0.0 0.368 101.3 61.3 78.7 -2.4 5.7 -9.2 47.1 34 923 A T S S+ 0 0 103 -7,-0.0 -1,-0.1 3,-0.0 -7,-0.1 0.735 71.4 162.3-113.8 -53.0 9.1 -9.4 45.3 35 924 A G - 0 0 28 -9,-0.1 2,-0.4 1,-0.1 -7,-0.2 -0.060 45.8 -65.8 62.4-161.7 9.2 -12.9 43.8 36 925 A E E -C 27 0A 102 -9,-1.6 -9,-2.9 2,-0.0 2,-0.3 -0.997 42.5-125.2-129.1 129.9 11.6 -14.0 41.0 37 926 A M E +C 26 0A 83 -2,-0.4 39,-0.6 -11,-0.2 2,-0.3 -0.595 34.9 169.5 -79.4 129.7 11.5 -12.7 37.4 38 927 A V E -CD 25 75A 0 -13,-2.5 -13,-2.7 -2,-0.3 2,-0.5 -0.907 33.3-116.1-132.8 160.0 11.3 -15.3 34.6 39 928 A A E -CD 24 74A 7 35,-2.5 35,-2.7 -2,-0.3 2,-0.5 -0.878 25.8-158.9-102.1 129.1 10.6 -15.2 30.8 40 929 A V E -CD 23 73A 2 -17,-2.9 -17,-2.0 -2,-0.5 2,-0.4 -0.949 3.9-166.1-114.4 120.3 7.4 -16.9 29.5 41 930 A K E -CD 22 72A 11 31,-2.9 31,-2.9 -2,-0.5 2,-0.4 -0.874 12.1-171.7-102.3 132.9 7.1 -18.0 25.9 42 931 A A E CD 21 71A 19 -21,-2.1 -21,-1.4 -2,-0.4 29,-0.1 -0.996 360.0 360.0-137.6 133.0 3.6 -18.8 24.6 43 932 A L 0 0 151 27,-0.6 -23,-0.2 -2,-0.4 28,-0.1 0.144 360.0 360.0 49.4 360.0 2.1 -20.4 21.4 44 ! 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 45 944 A W >> 0 0 105 0, 0.0 4,-1.3 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -5.2 5.0 -27.1 20.4 46 945 A K H 3> + 0 0 157 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.743 360.0 62.4 -58.0 -28.4 6.3 -30.1 22.5 47 946 A Q H 3> S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 101.5 48.4 -66.5 -46.1 9.4 -30.5 20.3 48 947 A E H <> S+ 0 0 13 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.919 116.7 44.4 -59.4 -44.9 10.9 -27.0 21.0 49 948 A I H X S+ 0 0 7 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.935 113.8 49.3 -65.4 -46.3 10.3 -27.6 24.8 50 949 A D H X S+ 0 0 82 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.796 112.1 49.9 -63.6 -30.9 11.7 -31.2 24.6 51 950 A I H >< S+ 0 0 10 -4,-2.3 3,-1.0 2,-0.2 4,-0.3 0.971 113.5 43.3 -69.0 -56.3 14.8 -29.9 22.7 52 951 A L H >< S+ 0 0 3 -4,-2.4 3,-1.3 1,-0.2 11,-0.4 0.819 107.2 63.2 -58.9 -33.9 15.6 -27.0 25.2 53 952 A R H 3< S+ 0 0 141 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.811 104.3 46.4 -57.4 -40.0 14.9 -29.5 28.1 54 953 A T T << S+ 0 0 60 -3,-1.0 2,-0.5 -4,-0.8 -1,-0.3 0.398 97.6 92.7 -85.3 -2.6 17.9 -31.7 27.0 55 954 A L < + 0 0 10 -3,-1.3 8,-0.4 -4,-0.3 2,-0.4 -0.865 41.5 165.7-103.2 125.1 20.2 -28.7 26.7 56 955 A Y + 0 0 182 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.930 24.0 128.1-138.3 105.5 22.5 -27.4 29.5 57 956 A H > - 0 0 47 -2,-0.4 3,-1.4 3,-0.4 49,-0.0 -0.961 62.0-121.2-156.4 146.1 25.2 -25.0 28.5 58 957 A E T 3 S+ 0 0 121 -2,-0.3 4,-0.1 1,-0.3 48,-0.1 0.586 114.8 47.9 -65.1 -17.2 26.5 -21.5 29.6 59 958 A H T 3 S+ 0 0 4 75,-0.1 76,-2.2 2,-0.1 2,-0.4 0.081 98.8 79.4-113.9 21.5 25.8 -20.1 26.1 60 959 A I B < S-f 135 0B 3 -3,-1.4 -3,-0.4 74,-0.3 76,-0.2 -0.998 93.7 -99.5-129.2 129.8 22.3 -21.5 25.6 61 960 A I - 0 0 6 74,-2.8 2,-0.4 -2,-0.4 -6,-0.1 -0.207 48.0-113.1 -50.2 127.9 19.1 -19.9 27.2 62 961 A K - 0 0 78 -4,-0.1 13,-1.9 -6,-0.1 2,-0.3 -0.629 17.3-137.3 -78.0 124.1 18.3 -21.9 30.3 63 962 A Y E + E 0 74A 54 -2,-0.4 11,-0.2 -8,-0.4 3,-0.1 -0.589 24.6 174.2 -72.7 132.5 15.1 -24.0 30.5 64 963 A K E - 0 0 68 9,-2.5 2,-0.3 1,-0.4 10,-0.2 0.706 50.7 -82.9-110.3 -36.5 13.5 -23.5 34.0 65 964 A G E - E 0 73A 0 8,-2.0 8,-2.4 -63,-0.0 -1,-0.4 -0.979 41.0 -93.6 162.1-160.1 10.2 -25.4 33.5 66 965 A C E -aE 2 72A 27 -65,-1.4 -63,-2.0 -2,-0.3 2,-0.3 -0.966 17.4-153.3-149.8 162.4 6.7 -25.2 32.1 67 966 A C E E 0 71A 3 4,-1.5 4,-2.4 -2,-0.3 -63,-0.1 -0.969 360.0 360.0-138.4 151.2 3.0 -24.4 33.0 68 967 A E 0 0 194 -65,-0.4 -63,-0.2 -2,-0.3 -66,-0.0 -0.320 360.0 360.0 -72.2 360.0 -0.5 -25.4 31.7 69 ! 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 70 974 A L 0 0 94 0, 0.0 -27,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.9 1.3 -25.0 27.6 71 975 A Q E -DE 42 67A 21 -4,-2.4 -4,-1.5 -29,-0.1 2,-0.5 -0.943 360.0-124.0-123.7 144.0 3.8 -22.1 28.1 72 976 A L E -DE 41 66A 0 -31,-2.9 -31,-2.9 -2,-0.3 2,-0.5 -0.771 18.0-157.1 -92.3 128.5 7.6 -22.3 28.2 73 977 A V E +DE 40 65A 0 -8,-2.4 -9,-2.5 -2,-0.5 -8,-2.0 -0.932 23.4 161.7-108.7 119.6 9.4 -20.8 31.3 74 978 A M E -DE 39 63A 18 -35,-2.7 -35,-2.5 -2,-0.5 -11,-0.2 -0.748 45.9 -76.2-125.0 172.4 13.0 -19.8 30.8 75 979 A E E -D 38 0A 33 -13,-1.9 2,-0.6 -2,-0.2 -37,-0.2 -0.467 45.7-125.6 -70.8 140.8 15.6 -17.6 32.6 76 980 A Y - 0 0 74 -39,-0.6 -39,-0.1 -2,-0.1 -1,-0.1 -0.826 20.6-158.0 -92.5 123.5 15.0 -13.8 32.1 77 981 A V > - 0 0 11 -2,-0.6 3,-0.8 1,-0.1 50,-0.1 -0.903 3.0-157.1-106.0 114.4 18.1 -12.0 30.8 78 982 A P T 3 S+ 0 0 61 0, 0.0 50,-0.1 0, 0.0 -1,-0.1 0.747 83.5 59.5 -63.4 -32.7 18.2 -8.2 31.5 79 983 A L T 3 S- 0 0 45 48,-1.0 49,-0.1 1,-0.2 2,-0.1 0.663 93.0-154.3 -74.3 -14.2 20.6 -6.9 28.8 80 984 A G < - 0 0 25 -3,-0.8 47,-2.3 47,-0.4 -1,-0.2 -0.291 35.5 -17.1 78.3-162.6 18.3 -8.2 26.0 81 985 A S B >> -G 126 0B 10 45,-0.2 4,-2.4 1,-0.1 3,-0.8 -0.465 52.8-123.2 -79.6 154.1 19.2 -9.1 22.4 82 986 A L H 3> S+ 0 0 0 43,-2.2 4,-2.6 40,-0.9 41,-0.2 0.813 110.5 66.0 -62.2 -33.3 22.5 -8.2 20.5 83 987 A R H 34 S+ 0 0 123 39,-0.7 -1,-0.2 42,-0.3 40,-0.1 0.819 114.9 28.2 -58.4 -36.9 20.2 -6.6 17.8 84 988 A D H <> S+ 0 0 65 -3,-0.8 4,-0.7 2,-0.1 -2,-0.2 0.743 120.0 57.3 -95.0 -28.6 19.1 -3.9 20.3 85 989 A Y H >X S+ 0 0 10 -4,-2.4 4,-1.2 2,-0.2 3,-0.5 0.920 100.2 54.6 -68.5 -51.8 22.3 -4.0 22.5 86 990 A L H >< S+ 0 0 2 -4,-2.6 3,-0.6 1,-0.2 5,-0.2 0.895 107.8 47.1 -56.6 -45.1 24.9 -3.1 19.8 87 991 A P H 34 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.787 111.9 55.2 -65.7 -24.6 23.2 0.2 18.5 88 992 A R H << S+ 0 0 145 -4,-0.7 2,-0.3 -3,-0.5 -2,-0.2 0.726 108.9 45.9 -77.3 -30.9 22.8 1.3 22.2 89 993 A H S << S- 0 0 76 -4,-1.2 2,-1.0 -3,-0.6 -1,-0.0 -0.853 79.8-114.3-123.5 158.7 26.5 1.0 23.3 90 994 A S - 0 0 131 -2,-0.3 2,-0.4 -3,-0.0 -4,-0.0 -0.788 47.3-178.3 -85.8 97.9 30.0 1.9 22.1 91 995 A I - 0 0 14 -2,-1.0 2,-0.2 -5,-0.2 -2,-0.0 -0.903 16.0-138.5-108.3 134.6 31.4 -1.7 21.6 92 996 A G > - 0 0 46 -2,-0.4 4,-1.9 1,-0.1 3,-0.3 -0.483 26.8-105.3 -88.8 159.6 35.0 -2.5 20.5 93 997 A L H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.842 117.8 53.8 -48.2 -48.6 36.2 -5.0 17.9 94 998 A A H > S+ 0 0 18 178,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.896 108.9 48.4 -57.7 -46.3 37.5 -7.5 20.7 95 999 A Q H > S+ 0 0 49 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.875 110.7 51.5 -64.2 -38.8 34.2 -7.6 22.5 96 1000 A L H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.921 112.1 46.6 -63.1 -43.5 32.3 -8.2 19.1 97 1001 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.837 110.0 53.2 -68.2 -34.0 34.8 -11.1 18.4 98 1002 A L H X S+ 0 0 43 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.900 107.9 50.7 -65.1 -42.8 34.3 -12.4 22.0 99 1003 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.955 112.8 47.0 -58.6 -47.8 30.4 -12.4 21.4 100 1004 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.872 110.6 51.7 -59.8 -43.1 31.1 -14.4 18.1 101 1005 A Q H X S+ 0 0 18 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.915 110.5 48.5 -59.3 -46.3 33.4 -16.8 20.0 102 1006 A Q H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.864 108.6 53.4 -64.6 -38.8 30.7 -17.4 22.6 103 1007 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.956 109.4 49.8 -59.1 -49.5 28.1 -18.0 19.9 104 1008 A C H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.825 109.4 51.2 -56.9 -39.6 30.4 -20.7 18.3 105 1009 A E H X S+ 0 0 37 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.923 113.0 44.6 -64.7 -47.9 30.9 -22.4 21.8 106 1010 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.885 116.5 47.1 -62.9 -41.4 27.1 -22.6 22.3 107 1011 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.864 108.3 53.8 -69.8 -39.8 26.6 -23.8 18.7 108 1012 A A H X S+ 0 0 7 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.912 111.0 47.9 -59.8 -43.1 29.4 -26.4 18.9 109 1013 A Y H X S+ 0 0 49 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.906 110.3 51.4 -62.2 -47.4 27.7 -27.8 22.0 110 1014 A L H ><>S+ 0 0 1 -4,-1.9 5,-1.6 1,-0.2 3,-0.6 0.914 110.7 48.1 -56.5 -46.4 24.3 -27.8 20.2 111 1015 A H H ><5S+ 0 0 27 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.794 106.3 58.3 -65.4 -30.4 25.8 -29.8 17.2 112 1016 A S H 3<5S+ 0 0 55 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.771 103.8 51.6 -68.2 -30.4 27.4 -32.2 19.7 113 1017 A Q T <<5S- 0 0 84 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.268 124.1-108.2 -88.3 5.8 23.8 -33.0 21.1 114 1018 A H T < 5S+ 0 0 86 -3,-1.2 30,-2.6 1,-0.2 2,-0.3 0.793 76.2 126.9 66.7 41.5 22.7 -33.7 17.4 115 1019 A Y E < -I 143 0C 35 -5,-1.6 2,-0.3 28,-0.3 -1,-0.2 -0.910 46.6-151.3-124.3 151.9 20.6 -30.6 16.9 116 1020 A I E -I 142 0C 0 26,-2.5 26,-2.0 -2,-0.3 60,-0.1 -0.913 5.8-154.5-117.0 142.9 20.4 -27.8 14.3 117 1021 A H - 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0 0 3 -3,-1.5 15,-0.1 17,-0.1 14,-0.0 -0.789 66.7-127.0-105.2 137.6 20.2 -19.2 4.9 165 1069 A A >> - 0 0 0 -2,-0.4 3,-1.4 13,-0.3 4,-0.9 -0.261 35.6-106.4 -65.7 151.8 22.8 -21.2 2.9 166 1070 A P H 3> S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 3,-0.4 0.805 116.6 62.0 -55.4 -32.3 21.9 -22.0 -0.8 167 1071 A E H 3> S+ 0 0 9 83,-0.3 6,-1.7 1,-0.2 4,-1.2 0.747 99.8 54.4 -64.5 -27.5 21.2 -25.7 -0.0 168 1072 A C H <4 S+ 0 0 0 -3,-1.4 -1,-0.2 4,-0.3 4,-0.2 0.850 116.9 36.7 -71.7 -37.2 18.3 -24.8 2.4 169 1073 A L H < S+ 0 0 4 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.1 0.842 129.8 30.6 -83.0 -41.8 16.5 -22.7 -0.4 170 1074 A K H < S+ 0 0 110 -4,-2.6 -3,-0.2 3,-0.1 -2,-0.2 0.901 136.2 20.2 -85.2 -52.8 17.4 -24.9 -3.4 171 1075 A E S < S- 0 0 100 -4,-1.2 -3,-0.2 -5,-0.3 -4,-0.1 0.450 92.1-126.1-102.7 -6.1 17.5 -28.5 -2.0 172 1076 A Y + 0 0 67 -5,-0.5 -19,-2.3 1,-0.2 2,-0.4 0.896 63.6 141.8 57.9 41.3 15.5 -28.0 1.3 173 1077 A K E -J 152 0D 46 -6,-1.7 2,-0.5 -21,-0.2 -1,-0.2 -0.954 37.4-166.7-116.2 132.0 18.5 -29.5 3.2 174 1078 A F E +J 151 0D 0 -23,-1.6 -23,-2.2 -2,-0.4 2,-0.2 -0.935 14.9 175.3-124.6 104.7 19.7 -28.3 6.5 175 1079 A Y E >> -J 150 0D 42 -2,-0.5 3,-1.2 -25,-0.2 4,-0.9 -0.547 50.7-104.2 -93.7 169.7 23.2 -29.6 7.5 176 1080 A Y H >> S+ 0 0 61 -27,-0.6 4,-0.8 1,-0.3 3,-0.6 0.893 127.3 60.8 -60.7 -32.8 25.2 -28.7 10.6 177 1081 A A H 3> S+ 0 0 20 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.724 91.9 64.4 -65.4 -24.1 27.1 -26.6 8.0 178 1082 A S H <> S+ 0 0 0 -3,-1.2 4,-1.5 1,-0.2 -13,-0.3 0.895 99.4 52.7 -68.4 -36.8 23.9 -24.6 7.2 179 1083 A D H <>S+ 0 0 14 -4,-2.4 5,-2.7 1,-0.2 3,-0.6 0.903 107.6 49.9 -57.5 -47.3 25.6 -8.4 11.9 190 1094 A L H ><5S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.880 109.5 51.7 -60.1 -41.4 28.0 -7.9 14.9 191 1095 A L H 3<5S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.714 108.2 50.1 -70.9 -20.5 30.5 -6.1 12.7 192 1096 A T T X<5S- 0 0 5 -4,-1.2 3,-0.9 -3,-0.6 -1,-0.3 0.421 114.7-120.5 -90.1 -3.2 27.8 -3.7 11.4 193 1097 A H T < 5 - 0 0 70 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.807 62.8 -70.0 62.6 34.4 26.9 -3.1 15.2 194 1098 A C T 3 S+ 0 0 95 -2,-0.3 3,-1.0 1,-0.2 6,-0.2 0.802 99.7 60.1 -60.4 -36.1 19.4 -1.4 10.5 197 1101 A S G 3 S+ 0 0 70 1,-0.2 -1,-0.2 5,-0.1 -2,-0.0 0.687 112.4 40.2 -65.4 -21.5 20.7 0.4 7.3 198 1102 A Q G < S+ 0 0 40 -3,-1.0 -1,-0.2 -6,-0.1 -2,-0.2 0.258 86.5 135.4-109.5 4.4 23.3 -2.5 6.9 199 1103 A S <> - 0 0 23 -3,-1.0 4,-3.1 -4,-0.2 5,-0.2 -0.181 65.3-113.1 -58.0 147.9 20.9 -5.5 7.9 200 1104 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.855 114.8 47.0 -53.5 -44.0 21.0 -8.7 5.7 201 1105 A P H > S+ 0 0 40 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.944 117.9 44.7 -62.9 -41.3 17.4 -8.4 4.2 202 1106 A T H > S+ 0 0 54 -6,-0.2 4,-1.4 2,-0.2 -3,-0.1 0.898 116.9 44.6 -63.9 -48.0 18.1 -4.7 3.4 203 1107 A K H X S+ 0 0 55 -4,-3.1 4,-1.3 2,-0.2 -1,-0.2 0.888 108.9 54.9 -68.7 -42.1 21.6 -5.3 1.9 204 1108 A F H < S+ 0 0 8 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.833 108.9 48.6 -60.6 -35.6 20.6 -8.4 -0.2 205 1109 A L H >X>S+ 0 0 21 -4,-1.3 4,-2.9 -5,-0.2 5,-1.9 0.898 110.0 52.6 -68.9 -39.4 17.8 -6.4 -1.9 206 1110 A E H 3<5S+ 0 0 100 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.721 93.4 74.1 -64.7 -28.2 20.4 -3.6 -2.5 207 1111 A L T 3<5S+ 0 0 59 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.697 119.7 12.9 -59.9 -24.9 22.8 -6.2 -4.1 208 1112 A I T <45S- 0 0 66 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.613 109.0-112.0-118.9 -35.6 20.5 -6.3 -7.3 209 1113 A G T <5 + 0 0 63 -4,-2.9 2,-0.3 1,-0.2 -3,-0.2 0.820 61.2 149.4 98.3 47.1 18.3 -3.2 -6.6 210 1114 A I < - 0 0 21 -5,-1.9 -1,-0.2 1,-0.1 -2,-0.1 -0.795 46.8 -96.5-111.9 151.6 14.9 -4.8 -6.0 211 1115 A A > - 0 0 61 -2,-0.3 3,-1.3 1,-0.1 4,-0.3 -0.027 51.5 -82.1 -60.3 165.5 11.9 -3.7 -3.8 212 1116 A Q T 3 S+ 0 0 198 1,-0.3 -1,-0.1 2,-0.1 -7,-0.0 0.490 128.1 24.7 -47.6 -11.4 11.2 -4.9 -0.2 213 1117 A G T 3 S+ 0 0 76 -8,-0.0 -1,-0.3 1,-0.0 -2,-0.1 -0.249 87.9 98.0-156.3 56.2 9.5 -8.1 -1.6 214 1118 A Q < + 0 0 99 -3,-1.3 2,-0.8 2,-0.1 -2,-0.1 0.244 53.9 111.7-122.4 2.0 10.9 -8.9 -5.1 215 1119 A M - 0 0 34 -4,-0.3 2,-0.2 4,-0.1 -10,-0.0 -0.743 49.3-171.0 -84.0 110.0 13.3 -11.5 -3.8 216 1120 A T > - 0 0 79 -2,-0.8 4,-2.4 1,-0.1 5,-0.2 -0.531 37.7-109.4 -92.9 163.5 12.2 -15.0 -5.0 217 1121 A V H > S+ 0 0 68 1,-0.2 4,-1.7 -2,-0.2 5,-0.1 0.802 121.9 49.1 -63.1 -29.5 13.7 -18.3 -3.8 218 1122 A L H > S+ 0 0 105 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.911 109.9 47.6 -76.9 -47.1 15.2 -18.7 -7.3 219 1123 A R H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.945 116.5 45.3 -59.1 -48.3 16.7 -15.1 -7.6 220 1124 A L H X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.890 113.6 49.8 -63.0 -43.9 18.2 -15.5 -4.1 221 1125 A T H X S+ 0 0 6 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.908 112.0 47.8 -59.7 -48.6 19.5 -19.1 -4.9 222 1126 A E H X S+ 0 0 94 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.855 111.2 50.1 -62.6 -40.6 21.1 -17.9 -8.2 223 1127 A L H <>S+ 0 0 4 -4,-2.1 5,-2.5 2,-0.2 -1,-0.2 0.905 113.8 44.8 -65.6 -44.7 22.9 -14.9 -6.6 224 1128 A L H ><5S+ 0 0 2 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.914 114.1 48.8 -65.3 -43.6 24.3 -17.0 -3.8 225 1129 A E H 3<5S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.791 106.7 58.0 -63.9 -30.8 25.4 -19.8 -6.3 226 1130 A R T 3<5S- 0 0 146 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.346 122.5-110.9 -77.7 -1.6 27.0 -16.9 -8.5 227 1131 A G T < 5 + 0 0 43 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.584 63.4 154.2 79.1 14.6 29.1 -16.1 -5.4 228 1132 A E < + 0 0 66 -5,-2.5 2,-0.3 1,-0.0 -1,-0.2 -0.573 19.4 175.7 -77.6 131.2 27.5 -12.7 -4.5 229 1133 A R - 0 0 31 -2,-0.3 16,-0.0 1,-0.1 -5,-0.0 -0.910 37.8 -78.4-133.6 166.2 27.8 -11.9 -0.8 230 1134 A L - 0 0 1 -2,-0.3 -1,-0.1 1,-0.1 15,-0.0 -0.230 60.2-106.7 -59.1 146.1 27.1 -9.3 1.9 231 1135 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.260 39.0 -83.0 -76.4 172.7 29.8 -6.5 1.7 232 1136 A R - 0 0 122 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.635 53.2-120.0 -73.4 118.4 32.6 -5.8 4.2 233 1137 A P > - 0 0 1 0, 0.0 3,-2.2 0, 0.0 -41,-0.1 -0.241 40.8 -81.8 -60.1 149.4 31.1 -3.9 7.1 234 1138 A D T 3 S+ 0 0 122 1,-0.3 0, 0.0 -42,-0.1 0, 0.0 -0.282 116.0 5.3 -56.1 132.5 32.6 -0.4 7.8 235 1139 A K T 3 S+ 0 0 183 1,-0.2 -1,-0.3 -3,-0.1 -43,-0.0 0.455 93.8 143.7 67.7 8.2 35.8 -0.6 9.9 236 1140 A C < - 0 0 0 -3,-2.2 -1,-0.2 1,-0.1 2,-0.1 -0.619 55.7-117.1 -76.7 127.0 35.7 -4.5 9.7 237 1141 A P >> - 0 0 20 0, 0.0 4,-2.2 0, 0.0 3,-1.4 -0.443 18.9-123.3 -67.2 136.0 39.2 -6.0 9.4 238 1142 A C H 3> S+ 0 0 68 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.846 111.8 54.2 -44.8 -43.7 39.7 -7.9 6.1 239 1143 A E H 3> S+ 0 0 73 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.772 107.7 48.9 -64.9 -32.3 40.6 -11.1 8.0 240 1144 A V H <> S+ 0 0 2 -3,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.898 114.5 47.3 -73.3 -39.7 37.4 -11.0 10.1 241 1145 A Y H X S+ 0 0 28 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.898 107.8 54.5 -64.2 -42.8 35.5 -10.5 6.7 242 1146 A H H X S+ 0 0 99 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.805 105.2 55.4 -62.3 -28.2 37.5 -13.4 5.1 243 1147 A L H X S+ 0 0 19 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.891 105.5 50.5 -69.3 -42.0 36.3 -15.6 8.0 244 1148 A M H X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.939 109.4 52.0 -59.5 -47.2 32.6 -14.7 7.2 245 1149 A K H < S+ 0 0 95 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.863 106.0 53.5 -58.5 -38.3 33.3 -15.6 3.5 246 1150 A N H >< S+ 0 0 73 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.906 109.8 48.3 -62.3 -42.0 34.7 -19.0 4.7 247 1151 A C H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.756 109.7 55.8 -68.6 -24.2 31.4 -19.5 6.6 248 1152 A W T 3< S+ 0 0 4 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.019 74.1 144.7 -94.5 23.2 29.7 -18.5 3.3 249 1153 A E < - 0 0 68 -3,-1.3 6,-0.1 1,-0.1 -3,-0.1 -0.431 53.7-132.4 -64.7 135.4 31.3 -21.1 1.1 250 1154 A T S S+ 0 0 43 -2,-0.1 2,-0.3 -26,-0.1 -83,-0.3 0.938 93.2 68.3 -52.3 -52.1 28.8 -22.3 -1.5 251 1155 A E S > S- 0 0 127 1,-0.1 3,-0.6 -85,-0.1 4,-0.2 -0.576 77.2-148.6 -74.9 125.8 29.6 -26.0 -0.8 252 1156 A A G > S+ 0 0 13 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.888 96.6 55.5 -62.7 -43.1 28.3 -27.0 2.7 253 1157 A S G 3 S+ 0 0 113 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.662 102.7 58.9 -64.5 -20.4 31.1 -29.6 3.2 254 1158 A F G < S+ 0 0 147 -3,-0.6 -1,-0.3 -5,-0.1 -2,-0.2 0.484 83.9 98.6 -90.7 -4.7 33.8 -26.8 2.6 255 1159 A R S < S- 0 0 14 -3,-1.4 -8,-0.2 -4,-0.2 -9,-0.1 -0.531 82.9-104.8 -78.4 151.9 32.6 -24.5 5.4 256 1160 A P - 0 0 37 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.234 34.9-118.4 -66.7 164.0 34.5 -24.6 8.7 257 1161 A T > - 0 0 69 1,-0.1 4,-1.2 -77,-0.0 -149,-0.1 -0.581 18.3-117.0 -95.3 167.8 32.8 -26.4 11.7 258 1162 A F H > S+ 0 0 4 2,-0.2 4,-1.5 -2,-0.2 3,-0.2 0.892 116.3 59.3 -68.7 -39.7 31.9 -24.5 14.9 259 1163 A E H 4 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.849 111.7 40.1 -55.7 -38.7 34.4 -26.8 16.8 260 1164 A N H > S+ 0 0 101 1,-0.2 4,-0.8 2,-0.1 -1,-0.2 0.685 108.2 61.8 -85.0 -21.4 37.2 -25.4 14.6 261 1165 A L H X S+ 0 0 3 -4,-1.2 4,-2.8 -3,-0.2 5,-0.2 0.791 90.7 69.3 -73.0 -31.9 36.0 -21.8 14.6 262 1166 A I H X S+ 0 0 17 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.931 100.5 43.5 -55.1 -56.0 36.4 -21.4 18.4 263 1167 A P H > S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.868 115.4 51.5 -60.0 -35.1 40.3 -21.5 18.4 264 1168 A I H X S+ 0 0 76 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.933 112.1 43.9 -64.7 -48.9 40.3 -19.1 15.4 265 1169 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.819 112.0 55.0 -67.1 -29.4 37.9 -16.6 17.0 266 1170 A K H X S+ 0 0 100 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.910 110.7 45.3 -65.2 -43.9 40.0 -16.9 20.3 267 1171 A T H X S+ 0 0 99 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.900 114.6 46.7 -64.2 -48.0 43.2 -16.0 18.3 268 1172 A V H X S+ 0 0 15 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.890 109.1 55.6 -65.8 -40.0 41.6 -13.1 16.4 269 1173 A H H X S+ 0 0 29 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.848 107.9 49.6 -59.6 -38.4 40.0 -11.8 19.8 270 1174 A E H < S+ 0 0 93 -4,-1.3 3,-0.3 2,-0.2 -1,-0.2 0.877 105.8 56.3 -67.3 -42.9 43.6 -11.7 21.3 271 1175 A K H < S+ 0 0 139 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.854 116.1 35.2 -57.4 -43.4 45.1 -9.7 18.4 272 1176 A Y H < S+ 0 0 70 -4,-1.5 -178,-0.4 2,-0.1 -1,-0.2 0.515 88.6 125.0 -94.3 -7.0 42.6 -6.8 18.7 273 1177 A R < 0 0 140 -4,-0.8 -3,-0.0 -3,-0.3 -180,-0.0 -0.208 360.0 360.0 -58.5 141.2 42.2 -6.8 22.5 274 1178 A H 0 0 224 -182,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.102 360.0 360.0 51.4 360.0 42.9 -3.5 24.3