==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 08-AUG-12 4GII . COMPND 2 MOLECULE: NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.H.ULTSCH . 289 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 67.8 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 . 45 15.6 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 . 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 . 23 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 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 . 0 2 1 2 1 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 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 0 135 0, 0.0 75,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.9 -15.4 -15.5 1.7 2 891 A V E -a 76 0A 98 73,-0.2 2,-0.3 72,-0.0 75,-0.2 -0.969 360.0-161.9-129.5 140.9 -12.0 -17.2 2.0 3 892 A F E -a 77 0A 24 73,-2.2 75,-0.7 -2,-0.3 2,-0.5 -0.926 16.2-133.4-119.8 145.3 -9.7 -19.0 -0.6 4 893 A H > - 0 0 85 -2,-0.3 3,-1.8 73,-0.1 4,-0.3 -0.903 4.7-146.3-107.2 123.8 -6.9 -21.5 0.1 5 894 A K G > S+ 0 0 87 -2,-0.5 3,-1.1 73,-0.3 -1,-0.1 0.754 96.5 68.2 -52.5 -32.5 -3.5 -21.1 -1.7 6 895 A R G 3 S+ 0 0 167 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.718 102.7 44.5 -60.5 -29.7 -3.1 -24.9 -1.8 7 896 A Y G < S+ 0 0 64 -3,-1.8 21,-2.6 20,-0.0 2,-0.5 0.392 89.0 104.6 -99.7 0.9 -6.0 -25.2 -4.3 8 897 A L E < -B 27 0A 19 -3,-1.1 2,-0.5 -4,-0.3 19,-0.2 -0.749 50.4-169.2 -88.3 121.3 -5.0 -22.3 -6.6 9 898 A K E -B 26 0A 68 17,-1.3 17,-2.9 -2,-0.5 2,-0.2 -0.965 18.7-132.6-115.1 115.2 -3.4 -23.5 -9.9 10 899 A K E +B 25 0A 98 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.503 28.2 171.7 -71.0 129.5 -1.7 -20.8 -12.0 11 900 A I E - 0 0 81 13,-3.2 2,-0.3 1,-0.4 -1,-0.2 0.853 61.3 -42.1 -97.1 -66.0 -2.6 -20.8 -15.8 12 901 A R E -B 24 0A 136 12,-0.7 12,-3.2 0, 0.0 -1,-0.4 -0.962 60.9 -86.0-159.6 166.1 -1.0 -17.6 -17.0 13 902 A D E -B 23 0A 100 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.614 28.3-167.0 -79.3 137.7 -0.3 -13.9 -16.2 14 903 A L E - 0 0 70 8,-2.8 2,-0.3 1,-0.3 9,-0.2 0.743 49.5 -85.9 -96.7 -29.1 -3.2 -11.5 -17.2 15 904 A G E -B 22 0A 35 7,-1.6 7,-2.9 0, 0.0 2,-0.4 -0.970 45.9 -57.4 154.5-166.4 -1.4 -8.2 -16.7 16 905 A E E -B 21 0A 153 -2,-0.3 5,-0.3 5,-0.3 2,-0.0 -0.967 40.0-175.3-118.6 125.4 -0.3 -5.3 -14.4 17 906 A G - 0 0 31 3,-3.2 3,-0.3 -2,-0.4 5,-0.0 0.048 47.2 -81.4 -93.6-154.8 -2.8 -3.2 -12.4 18 907 A H S S+ 0 0 54 1,-0.2 3,-0.1 -2,-0.0 155,-0.0 0.922 125.9 28.3 -80.8 -47.9 -2.1 -0.1 -10.2 19 908 A F S S- 0 0 23 1,-0.1 25,-0.3 35,-0.1 2,-0.2 -0.176 130.0 -47.7-107.8 38.3 -1.0 -2.0 -7.0 20 909 A G S S- 0 0 10 -3,-0.3 -3,-3.2 23,-0.2 2,-0.2 -0.811 77.1 -35.1 133.6-172.9 0.4 -5.2 -8.6 21 910 A K E -BC 16 42A 68 21,-0.6 21,-2.7 -5,-0.3 2,-0.4 -0.555 37.1-143.5 -90.5 151.4 -0.1 -8.0 -11.1 22 911 A V E -BC 15 41A 25 -7,-2.9 -8,-2.8 19,-0.2 -7,-1.6 -0.956 22.1-173.1-114.0 128.2 -3.2 -10.0 -12.1 23 912 A S E -BC 13 40A 2 17,-1.8 17,-2.9 -2,-0.4 2,-0.5 -0.951 25.7-120.5-127.4 146.9 -3.0 -13.7 -12.8 24 913 A L E +BC 12 39A 0 -12,-3.2 -13,-3.2 -2,-0.3 -12,-0.7 -0.745 38.6 179.4 -86.0 121.6 -5.3 -16.4 -14.2 25 914 A Y E -BC 10 38A 25 13,-3.0 13,-3.2 -2,-0.5 2,-0.7 -0.928 28.7-141.5-125.1 149.7 -5.9 -19.2 -11.6 26 915 A C E -BC 9 37A 22 -17,-2.9 -17,-1.3 -2,-0.3 2,-1.1 -0.938 17.3-152.6-110.4 103.1 -7.9 -22.4 -11.6 27 916 A Y E +B 8 0A 35 9,-2.0 9,-0.4 -2,-0.7 -19,-0.2 -0.716 30.9 160.4 -79.5 100.4 -9.3 -22.9 -8.1 28 917 A D > + 0 0 6 -21,-2.6 3,-0.9 -2,-1.1 -1,-0.1 -0.736 18.6 162.3-129.6 86.2 -9.7 -26.7 -7.9 29 918 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.729 79.3 63.3 -74.1 -20.3 -9.9 -28.4 -4.5 30 919 A T T 3 S- 0 0 96 -23,-0.1 -2,-0.0 1,-0.1 -23,-0.0 0.599 100.2-136.7 -75.9 -14.7 -11.3 -31.6 -6.0 31 920 A N S < S+ 0 0 133 -3,-0.9 -1,-0.1 -24,-0.1 -3,-0.0 0.412 79.8 98.8 69.3 7.2 -8.0 -32.0 -7.9 32 921 A D S S- 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.930 93.0-113.2 -84.0 -50.9 -9.8 -33.0 -11.2 33 922 A G S S+ 0 0 47 -6,-0.1 -6,-0.0 3,-0.0 -5,-0.0 0.377 86.2 110.6 127.1 7.4 -9.7 -29.7 -13.1 34 923 A T + 0 0 107 -8,-0.0 -7,-0.1 2,-0.0 -6,-0.1 0.429 49.7 124.2 -85.9 -3.7 -13.5 -28.8 -13.1 35 924 A G S S- 0 0 18 1,-0.1 -7,-0.2 -9,-0.1 2,-0.1 -0.160 70.8 -91.0 -61.1 150.6 -12.9 -25.9 -10.6 36 925 A E - 0 0 136 -9,-0.4 -9,-2.0 -10,-0.1 2,-0.3 -0.391 37.5-117.7 -68.3 137.0 -13.9 -22.3 -11.4 37 926 A M E -C 26 0A 73 -11,-0.2 54,-0.8 -2,-0.1 2,-0.3 -0.606 36.0-170.1 -77.1 129.8 -11.4 -20.0 -13.1 38 927 A V E -CD 25 90A 2 -13,-3.2 -13,-3.0 -2,-0.3 2,-0.6 -0.948 24.1-133.8-126.9 146.3 -10.5 -16.9 -10.9 39 928 A A E -CD 24 89A 6 50,-2.1 50,-2.8 -2,-0.3 2,-0.7 -0.888 25.7-162.5 -97.9 113.2 -8.5 -13.7 -11.5 40 929 A V E -CD 23 88A 0 -17,-2.9 -17,-1.8 -2,-0.6 2,-0.5 -0.897 3.7-163.7-108.1 108.4 -6.1 -13.2 -8.6 41 930 A K E -CD 22 87A 4 46,-2.6 46,-2.2 -2,-0.7 2,-0.3 -0.779 14.1-166.7 -89.8 125.6 -4.7 -9.7 -8.1 42 931 A A E -C 21 0A 13 -21,-2.7 -21,-0.6 -2,-0.5 2,-0.4 -0.921 20.6-127.2-121.2 144.9 -1.6 -9.6 -5.9 43 932 A L - 0 0 5 -2,-0.3 -23,-0.2 42,-0.3 2,-0.1 -0.712 41.2-104.0 -85.3 131.8 0.4 -6.8 -4.1 44 933 A K > - 0 0 102 -2,-0.4 3,-1.8 -25,-0.3 -1,-0.1 -0.401 22.0-135.7 -60.7 126.8 4.1 -6.8 -4.9 45 934 A A T 3 S+ 0 0 61 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.649 102.5 57.6 -57.5 -20.1 6.1 -8.3 -1.8 46 935 A D T 3 S+ 0 0 127 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.452 80.3 118.3 -91.8 -5.3 8.7 -5.4 -2.2 47 936 A A < - 0 0 9 -3,-1.8 -4,-0.0 1,-0.1 -28,-0.0 -0.343 58.7-129.2 -67.8 143.5 6.2 -2.5 -1.8 48 937 A G >> - 0 0 22 -2,-0.1 4,-1.5 1,-0.0 3,-1.0 -0.051 37.3 -83.9 -80.1-175.6 6.5 -0.0 1.1 49 938 A P H 3> S+ 0 0 105 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.732 122.3 68.8 -66.5 -20.6 3.8 1.1 3.6 50 939 A Q H 34 S+ 0 0 122 1,-0.2 4,-0.4 2,-0.2 -3,-0.0 0.790 109.6 33.9 -65.2 -31.9 2.5 3.8 1.1 51 940 A H H <> S+ 0 0 61 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.748 110.8 62.9 -93.1 -32.5 1.2 1.0 -1.3 52 941 A R H X S+ 0 0 78 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.813 106.5 45.8 -62.9 -35.1 0.2 -1.5 1.5 53 942 A S H X S+ 0 0 74 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.822 113.9 49.3 -75.3 -35.7 -2.4 1.1 2.8 54 943 A G H > S+ 0 0 9 -4,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.775 109.4 51.9 -72.5 -32.0 -3.6 1.7 -0.7 55 944 A W H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.882 107.8 50.6 -72.0 -42.0 -4.0 -2.0 -1.5 56 945 A K H X S+ 0 0 141 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.851 109.8 53.0 -62.2 -36.8 -6.1 -2.6 1.7 57 946 A Q H X S+ 0 0 76 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.894 105.5 53.2 -64.4 -44.7 -8.3 0.3 0.5 58 947 A E H X S+ 0 0 4 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.869 111.4 45.7 -59.3 -43.1 -8.8 -1.3 -3.0 59 948 A I H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.946 112.4 50.8 -65.2 -50.8 -10.0 -4.6 -1.4 60 949 A D H X S+ 0 0 88 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.845 112.9 46.1 -55.1 -42.6 -12.4 -2.7 1.1 61 950 A I H >X S+ 0 0 7 -4,-2.3 3,-0.6 2,-0.2 4,-0.6 0.944 114.0 46.3 -68.1 -50.5 -13.9 -0.6 -1.8 62 951 A L H >< S+ 0 0 3 -4,-2.1 3,-0.6 1,-0.2 11,-0.3 0.818 109.6 55.6 -62.3 -34.6 -14.4 -3.7 -4.1 63 952 A R H 3< S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.784 109.8 46.6 -67.2 -31.9 -15.9 -5.8 -1.2 64 953 A T H << S+ 0 0 76 -4,-1.0 2,-0.4 -3,-0.6 -1,-0.2 0.482 98.1 87.7 -90.1 -7.2 -18.6 -3.0 -0.6 65 954 A L << + 0 0 5 -4,-0.6 8,-0.3 -3,-0.6 2,-0.3 -0.826 47.2 171.2 -98.8 133.0 -19.5 -2.6 -4.4 66 955 A Y + 0 0 171 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.875 22.0 126.8-145.1 103.2 -22.2 -4.9 -6.0 67 956 A H > - 0 0 50 3,-0.4 3,-1.4 -2,-0.3 54,-0.1 -0.972 61.2-119.8-155.6 148.1 -23.3 -4.1 -9.6 68 957 A E T 3 S+ 0 0 123 -2,-0.3 4,-0.1 1,-0.3 53,-0.0 0.719 115.0 48.7 -62.1 -26.3 -23.7 -6.0 -12.9 69 958 A H T 3 S+ 0 0 3 48,-0.1 81,-2.5 80,-0.1 2,-0.4 0.040 100.4 78.0-105.4 24.5 -21.3 -3.5 -14.7 70 959 A I B < S-f 150 0B 5 -3,-1.4 -3,-0.4 79,-0.3 81,-0.2 -0.999 94.9 -99.4-133.4 128.1 -18.6 -3.8 -11.9 71 960 A I - 0 0 7 79,-2.5 2,-0.2 -2,-0.4 -6,-0.1 -0.195 46.4-112.8 -48.2 128.2 -16.2 -6.8 -11.6 72 961 A K - 0 0 77 -4,-0.1 18,-1.9 -6,-0.1 2,-0.6 -0.511 16.7-131.0 -73.5 135.4 -17.5 -9.2 -8.9 73 962 A Y E + E 0 89A 28 -8,-0.3 16,-0.2 -11,-0.3 3,-0.1 -0.774 26.1 179.3 -83.6 117.9 -15.5 -9.6 -5.7 74 963 A K E - 0 0 52 14,-2.2 2,-0.3 -2,-0.6 15,-0.2 0.875 48.1 -79.7 -88.7 -43.4 -15.2 -13.4 -5.1 75 964 A G E - E 0 88A 0 13,-1.9 13,-2.2 11,-0.0 2,-0.4 -0.978 43.2 -74.2 166.8-169.4 -13.2 -13.5 -1.9 76 965 A C E -aE 2 87A 10 -75,-1.5 -73,-2.2 -2,-0.3 2,-0.4 -0.949 26.4-158.2-123.9 143.7 -9.7 -13.2 -0.2 77 966 A C E -aE 3 86A 0 9,-1.7 9,-2.5 -2,-0.4 2,-0.7 -0.973 25.5-119.1-121.6 132.0 -6.7 -15.6 -0.1 78 967 A E E - E 0 85A 134 -75,-0.7 2,-0.9 -2,-0.4 -73,-0.3 -0.599 23.4-153.0 -75.0 108.2 -4.0 -15.5 2.6 79 968 A D > - 0 0 19 5,-1.7 4,-1.1 -2,-0.7 5,-0.5 -0.769 13.1-176.5 -84.5 105.8 -0.7 -14.8 0.9 80 969 A A T 4 S+ 0 0 87 -2,-0.9 -1,-0.2 1,-0.2 5,-0.0 0.741 81.1 52.1 -73.6 -26.2 2.0 -16.4 3.1 81 970 A G T 4 S+ 0 0 71 1,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.672 120.7 29.1 -84.3 -24.4 4.8 -15.1 0.9 82 971 A A T 4 S- 0 0 8 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.467 94.9-133.7-113.5 -6.6 3.8 -11.4 0.7 83 972 A A S < S+ 0 0 90 -4,-1.1 2,-0.2 1,-0.2 -3,-0.1 0.702 75.5 96.3 54.0 29.3 2.1 -11.2 4.2 84 973 A S S S- 0 0 21 -5,-0.5 -5,-1.7 -41,-0.1 2,-0.4 -0.623 83.5 -84.4-127.9-177.1 -0.8 -9.4 2.5 85 974 A L E - E 0 78A 70 -2,-0.2 2,-0.6 -7,-0.2 -42,-0.3 -0.822 30.0-139.8 -99.8 137.6 -4.2 -10.3 1.0 86 975 A Q E - E 0 77A 10 -9,-2.5 -9,-1.7 -2,-0.4 2,-0.6 -0.886 22.8-129.0 -97.0 117.1 -4.6 -11.7 -2.6 87 976 A L E -DE 41 76A 0 -46,-2.2 -46,-2.6 -2,-0.6 2,-0.7 -0.580 18.9-159.0 -72.0 112.2 -7.7 -10.2 -4.2 88 977 A V E +DE 40 75A 0 -13,-2.2 -14,-2.2 -2,-0.6 -13,-1.9 -0.864 21.6 167.1 -98.0 111.4 -9.8 -12.9 -5.8 89 978 A M E -DE 39 73A 12 -50,-2.8 -50,-2.1 -2,-0.7 -16,-0.2 -0.743 41.8 -83.2-116.3 167.0 -12.2 -11.5 -8.5 90 979 A E E -D 38 0A 28 -18,-1.9 2,-0.7 -2,-0.2 -52,-0.2 -0.369 43.6-113.1 -70.6 148.2 -14.3 -13.1 -11.2 91 980 A Y - 0 0 55 -54,-0.8 -54,-0.1 -2,-0.1 -1,-0.1 -0.791 24.2-151.1 -84.9 114.9 -12.6 -14.2 -14.4 92 981 A V > - 0 0 10 -2,-0.7 3,-0.8 1,-0.1 50,-0.2 -0.839 13.1-145.6 -88.2 107.8 -14.1 -11.9 -17.1 93 982 A P T 3 S+ 0 0 64 0, 0.0 50,-0.2 0, 0.0 -1,-0.1 0.809 87.8 38.5 -48.7 -47.4 -13.7 -14.2 -20.2 94 983 A L T 3 S- 0 0 74 48,-1.5 49,-0.2 1,-0.2 50,-0.0 0.574 98.5-148.3 -85.0 -9.2 -13.0 -11.8 -23.1 95 984 A G E < -G 142 0B 24 -3,-0.8 47,-3.3 47,-0.5 -1,-0.2 -0.235 43.1 -9.8 76.4-165.7 -10.7 -9.4 -21.1 96 985 A S E > -G 141 0B 11 45,-0.3 4,-1.8 1,-0.1 3,-0.4 -0.275 56.1-127.6 -66.4 151.7 -10.1 -5.7 -21.4 97 986 A L H > S+ 0 0 0 43,-2.4 4,-2.6 40,-1.0 41,-0.2 0.792 108.2 65.5 -70.7 -26.9 -11.5 -3.7 -24.4 98 987 A R H 4 S+ 0 0 46 39,-0.8 -1,-0.2 42,-0.3 40,-0.1 0.840 112.9 33.1 -60.6 -37.3 -8.0 -2.3 -25.0 99 988 A D H 4 S+ 0 0 94 -3,-0.4 4,-0.3 2,-0.1 -2,-0.2 0.764 123.4 47.6 -89.3 -30.4 -6.8 -5.8 -25.9 100 989 A Y H >X S+ 0 0 31 -4,-1.8 4,-1.1 1,-0.1 3,-1.1 0.946 102.7 56.7 -76.9 -56.0 -10.2 -7.0 -27.4 101 990 A L T 3< S+ 0 0 3 -4,-2.6 5,-0.2 1,-0.2 3,-0.2 0.771 98.7 56.6 -52.9 -41.0 -11.2 -4.1 -29.8 102 991 A P T 34 S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.751 118.0 36.1 -66.4 -21.8 -8.0 -3.9 -32.2 103 992 A R T <4 S+ 0 0 200 -3,-1.1 2,-0.5 -4,-0.3 -2,-0.2 0.558 116.4 55.5-104.1 -12.8 -8.5 -7.6 -33.1 104 993 A H S < S- 0 0 82 -4,-1.1 2,-0.7 -3,-0.2 -1,-0.2 -0.962 76.3-139.5-127.8 112.9 -12.3 -7.8 -33.1 105 994 A S - 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0 0 26 -4,-2.2 3,-0.2 -5,-0.2 -1,-0.2 -0.394 15.0-100.4 107.0 172.4 6.0 17.2 -28.3 225 1114 A I S S+ 0 0 165 1,-0.2 2,-0.2 -2,-0.1 3,-0.2 0.442 108.5 64.5-110.4 -2.4 8.5 14.9 -26.6 226 1115 A A + 0 0 88 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 -0.501 63.5 112.8-118.6 57.8 11.2 17.5 -25.7 227 1116 A Q > - 0 0 60 1,-0.3 3,-2.1 -3,-0.2 -1,-0.1 0.180 63.1-146.1-114.6 15.8 9.3 19.6 -23.1 228 1117 A G T 3 S- 0 0 71 1,-0.3 -1,-0.3 -3,-0.2 3,-0.3 -0.353 73.2 -16.9 59.0-125.5 11.2 18.7 -19.9 229 1118 A Q T 3 S+ 0 0 201 1,-0.2 3,-0.3 -2,-0.1 -1,-0.3 0.275 123.0 87.2 -91.4 7.0 9.0 18.6 -16.8 230 1119 A M <> + 0 0 94 -3,-2.1 4,-1.9 1,-0.2 -1,-0.2 -0.063 46.6 106.4-102.2 31.2 6.3 20.6 -18.7 231 1120 A T H > S+ 0 0 42 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.936 89.0 40.5 -71.2 -45.2 4.3 17.8 -20.4 232 1121 A V H > S+ 0 0 53 -3,-0.3 4,-2.8 2,-0.2 -1,-0.1 0.860 115.4 51.7 -69.9 -40.0 1.4 18.1 -18.0 233 1122 A L H > S+ 0 0 87 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.921 111.5 46.6 -63.5 -45.1 1.6 22.0 -18.1 234 1123 A R H X S+ 0 0 72 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.775 113.5 50.4 -66.4 -28.6 1.5 22.0 -21.9 235 1124 A L H X S+ 0 0 2 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.906 109.7 49.5 -73.1 -45.3 -1.4 19.5 -21.6 236 1125 A T H X S+ 0 0 12 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.933 112.3 49.6 -56.9 -49.6 -3.3 21.8 -19.2 237 1126 A E H X S+ 0 0 83 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.865 110.2 47.4 -58.8 -48.8 -2.7 24.8 -21.6 238 1127 A L H <>S+ 0 0 2 -4,-1.7 5,-2.2 1,-0.2 -1,-0.2 0.869 112.0 51.4 -64.7 -35.3 -4.0 23.1 -24.8 239 1128 A L H ><5S+ 0 0 2 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.799 109.3 50.9 -69.0 -30.3 -7.1 21.9 -22.8 240 1129 A E H 3<5S+ 0 0 88 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.852 103.3 58.7 -73.4 -37.2 -7.6 25.5 -21.7 241 1130 A R T 3<5S- 0 0 152 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.481 124.0-105.9 -69.4 -5.3 -7.4 26.8 -25.4 242 1131 A G T < 5 + 0 0 38 -3,-0.6 2,-0.2 1,-0.3 -3,-0.2 0.501 69.7 151.8 89.7 8.3 -10.3 24.4 -26.1 243 1132 A E < + 0 0 67 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.3 -0.532 17.6 172.0 -74.5 134.2 -8.2 21.8 -27.9 244 1133 A R - 0 0 32 -2,-0.2 16,-0.0 1,-0.0 -5,-0.0 -0.850 40.7 -74.1-136.2 170.5 -9.5 18.3 -27.8 245 1134 A L - 0 0 4 -2,-0.3 -1,-0.0 1,-0.1 -26,-0.0 -0.365 63.1-102.2 -63.6 143.6 -8.9 14.8 -29.2 246 1135 A P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.121 37.8 -88.7 -68.9 170.0 -10.1 14.5 -32.9 247 1136 A R - 0 0 129 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.672 48.6-121.3 -76.9 123.6 -13.3 12.9 -34.1 248 1137 A P > - 0 0 4 0, 0.0 3,-1.5 0, 0.0 2,-0.2 -0.240 36.4 -86.5 -64.0 157.3 -12.7 9.2 -34.8 249 1138 A D T 3 S+ 0 0 137 1,-0.2 0, 0.0 -42,-0.0 0, 0.0 -0.468 113.5 7.6 -67.6 132.2 -13.3 7.8 -38.4 250 1139 A K T 3 S+ 0 0 180 1,-0.3 -1,-0.2 -2,-0.2 -142,-0.0 0.412 93.3 138.4 72.7 4.8 -17.0 6.7 -38.9 251 1140 A C < - 0 0 2 -3,-1.5 -1,-0.3 1,-0.1 2,-0.1 -0.628 60.0-112.7 -76.8 130.4 -18.0 8.2 -35.5 252 1141 A P > - 0 0 21 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.414 17.5-124.8 -68.2 142.8 -21.3 10.1 -35.8 253 1142 A A H > S+ 0 0 57 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.844 110.5 51.5 -52.1 -42.8 -21.2 13.9 -35.4 254 1143 A E H > S+ 0 0 144 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.852 108.0 52.3 -66.0 -35.7 -23.8 14.0 -32.5 255 1144 A V H > S+ 0 0 5 -3,-0.4 4,-1.8 1,-0.2 3,-0.2 0.901 108.6 51.0 -65.7 -42.1 -21.8 11.3 -30.6 256 1145 A Y H X S+ 0 0 33 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.792 107.6 53.2 -65.0 -30.8 -18.6 13.5 -30.9 257 1146 A H H X S+ 0 0 110 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.808 107.2 51.0 -74.4 -29.3 -20.7 16.4 -29.5 258 1147 A L H X S+ 0 0 24 -4,-1.3 4,-1.3 -3,-0.2 -2,-0.2 0.865 110.1 51.2 -69.3 -40.6 -21.7 14.2 -26.5 259 1148 A M H >X S+ 0 0 0 -4,-1.8 4,-0.9 2,-0.2 3,-0.5 0.938 110.1 47.6 -59.5 -52.3 -17.9 13.5 -26.1 260 1149 A K H 3< S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.756 108.0 56.4 -60.7 -30.9 -17.0 17.2 -26.2 261 1150 A N H >< S+ 0 0 63 -4,-1.2 3,-0.8 1,-0.2 -1,-0.2 0.805 106.5 48.6 -72.7 -30.8 -19.8 17.8 -23.6 262 1151 A C H << S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.698 110.5 56.3 -75.7 -21.4 -18.1 15.3 -21.3 263 1152 A W T 3< S+ 0 0 3 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 -0.088 74.6 143.2-101.1 31.1 -14.9 17.4 -22.1 264 1153 A E < - 0 0 67 -3,-0.8 6,-0.1 1,-0.1 -3,-0.1 -0.530 52.8-137.1 -71.1 138.3 -16.3 20.8 -21.0 265 1154 A T S S+ 0 0 54 -2,-0.2 2,-0.4 -85,-0.1 -83,-0.2 0.932 93.5 69.5 -59.7 -45.3 -13.5 22.8 -19.3 266 1155 A E S > S- 0 0 109 1,-0.1 3,-0.8 -85,-0.1 4,-0.4 -0.634 78.5-149.1 -77.4 121.8 -16.1 23.8 -16.6 267 1156 A A G > S+ 0 0 26 -2,-0.4 3,-0.8 1,-0.2 -1,-0.1 0.800 95.4 58.2 -60.3 -34.8 -16.9 20.8 -14.4 268 1157 A S G 3 S+ 0 0 92 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.711 99.6 57.8 -70.5 -24.0 -20.5 22.0 -13.7 269 1158 A F G < S+ 0 0 128 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.600 88.1 96.2 -80.2 -15.9 -21.3 22.1 -17.5 270 1159 A R S < S- 0 0 12 -3,-0.8 -8,-0.2 -4,-0.4 2,-0.1 -0.535 81.8-115.3 -76.9 138.9 -20.5 18.4 -17.8 271 1160 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.432 28.7-119.0 -71.5 153.1 -23.4 15.9 -17.6 272 1161 A T > - 0 0 73 1,-0.1 4,-1.3 -2,-0.1 -149,-0.1 -0.237 27.6-105.6 -79.3 176.4 -23.6 13.5 -14.7 273 1162 A F H > S+ 0 0 3 1,-0.2 4,-1.1 2,-0.2 -150,-0.2 0.823 124.1 56.2 -72.5 -26.5 -23.5 9.7 -15.2 274 1163 A E H 4 S+ 0 0 130 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.851 105.8 49.8 -69.4 -37.4 -27.2 9.7 -14.4 275 1164 A N H > S+ 0 0 84 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.839 108.4 54.7 -68.5 -36.1 -27.9 12.2 -17.2 276 1165 A L H X S+ 0 0 1 -4,-1.3 4,-3.0 1,-0.2 5,-0.2 0.750 93.1 71.3 -70.1 -29.6 -25.9 10.0 -19.7 277 1166 A I H X S+ 0 0 27 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.936 104.0 35.9 -57.7 -55.9 -27.9 6.8 -19.1 278 1167 A P H > S+ 0 0 76 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.833 118.8 54.1 -68.3 -29.4 -31.2 7.8 -20.9 279 1168 A I H X S+ 0 0 83 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.935 112.1 41.4 -66.7 -49.4 -29.2 9.7 -23.5 280 1169 A L H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.815 109.9 59.5 -69.8 -30.5 -27.0 6.6 -24.4 281 1170 A K H X S+ 0 0 104 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.865 110.8 42.3 -61.7 -40.1 -30.0 4.3 -24.3 282 1171 A T H X S+ 0 0 98 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.890 113.5 50.1 -73.2 -47.2 -31.6 6.4 -27.1 283 1172 A V H X S+ 0 0 30 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.894 112.5 48.6 -61.5 -39.9 -28.4 6.8 -29.2 284 1173 A H H X S+ 0 0 21 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.890 110.2 51.9 -64.1 -42.6 -27.9 3.0 -28.9 285 1174 A E H < S+ 0 0 105 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.827 108.5 51.9 -62.2 -37.2 -31.6 2.5 -30.0 286 1175 A K H < S+ 0 0 128 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.895 115.1 39.7 -66.6 -45.6 -31.0 4.8 -33.0 287 1176 A Y H < S+ 0 0 71 -4,-1.8 -178,-0.4 -5,-0.1 -2,-0.2 0.558 99.7 90.5 -86.5 -9.4 -27.9 2.9 -34.3 288 1177 A R < 0 0 118 -4,-1.3 -3,-0.0 -179,-0.1 -180,-0.0 -0.257 360.0 360.0 -80.8 171.1 -29.1 -0.7 -33.6 289 1178 A H 0 0 220 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.277 360.0 360.0-141.8 360.0 -31.1 -3.0 -36.0