==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 15-APR-13 4K5O . COMPND 2 MOLECULE: M1 FAMILY AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM FCB1/COLUMBIA; . AUTHOR S.MCGOWAN . 889 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 641 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 62 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 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 4 0 0 2 1 0 3 2 3 0 1 2 1 0 1 2 1 0 0 0 0 0 0 0 1 1 1 RESIDUES PER ALPHA HELIX . 3 1 1 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 0 PARALLEL BRIDGES PER LADDER . 2 4 1 3 2 2 1 0 4 0 1 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 3 2 0 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 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 1 196 A P 0 0 144 0, 0.0 2,-0.2 0, 0.0 374,-0.1 0.000 360.0 360.0 360.0 131.0 2.2 4.5 33.3 2 197 A K - 0 0 150 372,-0.1 2,-0.6 1,-0.0 371,-0.0 -0.541 360.0-143.3 -79.0 136.6 -0.8 5.4 31.1 3 198 A I - 0 0 70 -2,-0.2 2,-0.5 369,-0.0 371,-0.2 -0.896 9.4-151.1-104.3 121.0 -1.3 3.2 28.0 4 199 A H E -A 373 0A 75 369,-3.0 369,-2.2 -2,-0.6 2,-0.4 -0.772 11.7-156.7 -91.7 129.9 -2.7 5.0 24.9 5 200 A Y E > -A 372 0A 109 -2,-0.5 3,-1.4 367,-0.2 367,-0.3 -0.882 19.8-139.4-107.6 139.5 -4.7 2.9 22.5 6 201 A R G > S+ 0 0 55 365,-2.8 3,-1.3 -2,-0.4 366,-0.1 0.837 103.3 62.2 -58.1 -36.9 -5.3 3.5 18.8 7 202 A K G 3 S+ 0 0 103 364,-0.4 -1,-0.3 1,-0.2 365,-0.1 0.634 96.0 64.3 -61.9 -15.8 -9.0 2.5 19.1 8 203 A D G < + 0 0 108 -3,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.276 66.8 139.2 -98.3 11.4 -9.5 5.4 21.5 9 204 A Y < + 0 0 69 -3,-1.3 307,-0.0 -4,-0.0 -3,-0.0 -0.341 19.9 162.0 -61.8 129.6 -8.8 8.3 19.2 10 205 A K - 0 0 60 -2,-0.0 -2,-0.0 0, 0.0 33,-0.0 -0.961 39.9-106.9-144.1 141.2 -11.2 11.3 19.7 11 206 A P - 0 0 57 0, 0.0 2,-0.1 0, 0.0 30,-0.0 -0.184 43.0 -98.6 -62.4 153.7 -10.9 14.9 18.6 12 207 A S - 0 0 17 2,-0.2 31,-0.4 1,-0.1 32,-0.2 -0.341 18.0-132.3 -65.2 148.8 -10.1 17.6 21.3 13 208 A G S S+ 0 0 4 30,-0.2 28,-1.4 29,-0.1 2,-0.3 0.177 88.8 64.9 -88.8 18.4 -13.0 19.7 22.6 14 209 A F E -B 40 0B 10 26,-0.3 2,-0.4 29,-0.1 26,-0.2 -0.909 66.4-151.4-130.2 165.9 -10.8 22.7 22.1 15 210 A I E -B 39 0B 68 24,-2.4 24,-2.5 -2,-0.3 2,-0.5 -0.987 3.1-157.2-132.6 140.9 -9.2 24.5 19.1 16 211 A I E +B 38 0B 2 -2,-0.4 22,-0.2 125,-0.3 3,-0.1 -0.988 16.9 171.9-116.0 112.9 -6.0 26.6 19.1 17 212 A N E + 0 0 65 20,-3.3 126,-1.9 -2,-0.5 2,-0.3 0.819 62.4 16.4 -92.0 -33.5 -6.1 29.0 16.2 18 213 A Q E -Bc 37 143B 40 19,-1.0 19,-3.0 124,-0.2 2,-0.5 -0.998 54.7-161.7-150.5 134.8 -3.0 31.2 16.8 19 214 A V E -Bc 36 144B 0 124,-2.8 126,-2.1 -2,-0.3 2,-0.5 -0.980 6.5-170.9-116.2 131.0 0.1 30.9 18.9 20 215 A T E -Bc 35 145B 43 15,-2.3 15,-2.1 -2,-0.5 2,-0.4 -0.974 15.3-170.2-121.7 115.4 2.1 34.1 19.6 21 216 A L E -Bc 34 146B 0 124,-2.7 126,-3.0 -2,-0.5 2,-0.5 -0.858 21.2-172.1-112.3 142.1 5.5 33.3 21.3 22 217 A N E -Bc 33 147B 58 11,-3.0 11,-2.6 -2,-0.4 2,-0.6 -0.979 10.8-174.1-125.9 115.2 8.1 35.4 22.9 23 218 A I E -Bc 32 148B 0 124,-3.0 126,-2.5 -2,-0.5 2,-0.7 -0.932 0.9-173.8-112.1 108.6 11.2 33.4 23.7 24 219 A N E -Bc 31 149B 35 7,-2.8 7,-2.4 -2,-0.6 2,-0.5 -0.882 9.6-156.8-107.7 110.2 13.8 35.5 25.6 25 220 A I E +B 30 0B 6 124,-2.9 126,-0.3 -2,-0.7 5,-0.2 -0.743 16.6 174.1 -95.4 124.7 17.0 33.6 26.1 26 221 A H - 0 0 76 3,-2.6 3,-0.1 -2,-0.5 123,-0.0 -0.706 44.5 -98.1-121.5 173.2 19.3 34.7 29.1 27 222 A D S S+ 0 0 76 -2,-0.2 77,-0.1 1,-0.2 3,-0.1 0.911 120.3 21.5 -57.1 -49.5 22.5 33.3 30.6 28 223 A Q S S+ 0 0 175 1,-0.1 2,-0.3 75,-0.0 -1,-0.2 0.404 131.8 9.1-105.5 3.5 20.9 31.4 33.4 29 224 A E - 0 0 69 -3,-0.1 -3,-2.6 73,-0.1 2,-0.5 -0.980 57.3-129.9-172.6 158.8 17.3 30.9 32.1 30 225 A T E -BD 25 101B 1 71,-2.9 71,-2.3 -2,-0.3 2,-0.5 -0.994 19.9-152.5-124.0 126.5 14.9 31.3 29.2 31 226 A I E -BD 24 100B 30 -7,-2.4 -7,-2.8 -2,-0.5 2,-0.5 -0.858 10.0-164.8 -97.1 127.5 11.6 33.0 29.7 32 227 A V E -BD 23 99B 0 67,-2.9 67,-2.3 -2,-0.5 2,-0.5 -0.954 5.2-171.9-120.3 117.0 8.8 31.9 27.4 33 228 A R E -BD 22 98B 34 -11,-2.6 -11,-3.0 -2,-0.5 2,-0.4 -0.900 12.2-178.8-101.3 133.1 5.6 34.1 27.0 34 229 A S E -BD 21 97B 4 63,-2.5 63,-1.8 -2,-0.5 2,-0.5 -0.996 17.5-168.0-138.1 131.5 2.9 32.5 25.0 35 230 A V E -BD 20 96B 57 -15,-2.1 -15,-2.3 -2,-0.4 2,-0.6 -0.985 11.3-164.2-115.5 124.8 -0.6 33.7 24.0 36 231 A L E -BD 19 95B 1 59,-3.9 59,-2.3 -2,-0.5 2,-0.9 -0.918 12.1-148.0-107.7 120.5 -2.9 31.1 22.6 37 232 A D E +BD 18 94B 65 -19,-3.0 -20,-3.3 -2,-0.6 -19,-1.0 -0.759 36.6 179.6 -87.1 110.7 -6.0 32.2 20.7 38 233 A M E -BD 16 93B 2 55,-2.9 55,-2.4 -2,-0.9 2,-0.3 -0.615 22.6-172.8-116.3 163.0 -8.4 29.4 21.5 39 234 A D E -B 15 0B 42 -24,-2.5 -24,-2.4 53,-0.2 2,-0.4 -0.893 32.8-105.4-142.6 174.9 -12.0 28.2 20.9 40 235 A I E -B 14 0B 40 -2,-0.3 -26,-0.3 -26,-0.2 2,-0.1 -0.884 40.6-137.5-102.5 128.5 -14.4 25.5 22.0 41 236 A S > - 0 0 19 -28,-1.4 3,-1.4 -2,-0.4 -26,-0.1 -0.405 25.0-103.1 -88.3 174.3 -14.8 22.8 19.3 42 237 A K T 3 S+ 0 0 192 1,-0.3 -29,-0.1 -2,-0.1 -1,-0.1 0.512 121.0 59.2 -72.0 -8.0 -18.0 21.2 18.3 43 238 A H T 3 S+ 0 0 89 -31,-0.4 -1,-0.3 -29,-0.0 -30,-0.2 0.516 76.5 123.3 -97.5 -14.2 -16.9 18.1 20.3 44 239 A N < - 0 0 42 -3,-1.4 -30,-0.0 -31,-0.2 -4,-0.0 -0.204 36.9-176.3 -51.1 138.8 -16.7 20.0 23.6 45 240 A V - 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.165 64.5 -84.0-131.9 29.3 -18.8 18.5 26.5 46 241 A G S S+ 0 0 47 1,-0.2 42,-0.1 -33,-0.1 39,-0.1 0.620 79.0 161.3 78.7 16.2 -18.0 21.2 29.1 47 242 A E - 0 0 66 1,-0.1 -1,-0.2 38,-0.1 41,-0.0 -0.096 46.0 -85.2 -70.3 161.7 -14.8 19.5 30.2 48 243 A D - 0 0 63 1,-0.1 2,-0.6 36,-0.0 36,-0.2 -0.296 44.4-113.6 -53.5 144.0 -11.7 20.9 32.1 49 244 A L E -I 83 0C 0 34,-2.5 34,-3.6 2,-0.0 2,-0.5 -0.810 40.1-171.6 -81.9 121.0 -9.1 22.6 30.0 50 245 A V E -I 82 0C 61 -2,-0.6 2,-0.4 32,-0.2 32,-0.2 -0.954 5.0-171.1-125.5 112.0 -6.0 20.4 30.2 51 246 A F E -I 81 0C 0 30,-3.1 30,-2.9 -2,-0.5 2,-0.3 -0.834 23.2-124.8-100.2 142.2 -2.6 21.4 28.7 52 247 A D E +IJ 80 134C 22 82,-3.1 82,-2.0 -2,-0.4 28,-0.2 -0.630 42.2 154.5 -69.7 140.0 0.5 19.4 28.4 53 248 A G - 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0 0 101 -3,-1.2 -3,-0.2 -4,-0.3 3,-0.1 0.928 31.4-162.8 55.5 47.9 48.4 -13.2 8.6 715 910 A Y > < - 0 0 41 -5,-2.4 3,-2.4 1,-0.2 4,-0.3 -0.403 37.6 -76.0 -62.3 141.2 49.2 -13.3 5.0 716 911 A P T 3 S- 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.107 109.4 -12.1 -51.3 124.1 53.0 -13.0 4.4 717 912 A N T >> S+ 0 0 125 -3,-0.1 3,-2.0 1,-0.1 4,-0.7 0.534 85.3 141.4 63.8 11.3 54.3 -9.5 4.9 718 913 A I H <> + 0 0 1 -3,-2.4 4,-2.0 1,-0.3 3,-0.5 0.790 60.3 74.4 -51.9 -26.6 50.8 -8.0 4.9 719 914 A L H 3> S+ 0 0 34 -4,-0.3 4,-2.8 1,-0.3 -1,-0.3 0.846 88.7 59.3 -57.2 -30.5 52.0 -5.6 7.7 720 915 A N H <> S+ 0 0 101 -3,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.926 106.5 47.4 -62.0 -41.1 53.9 -3.7 4.9 721 916 A E H X S+ 0 0 21 -4,-0.7 4,-2.3 -3,-0.5 -2,-0.2 0.884 111.3 50.4 -69.1 -35.6 50.6 -3.1 3.2 722 917 A I H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.910 110.0 49.3 -66.3 -46.0 49.0 -2.0 6.4 723 918 A I H < S+ 0 0 30 -4,-2.8 4,-0.5 2,-0.2 3,-0.3 0.913 112.6 47.4 -63.4 -44.0 51.7 0.5 7.3 724 919 A E H >< S+ 0 0 116 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.928 109.0 55.1 -60.5 -42.1 51.6 2.0 3.7 725 920 A H H >< S+ 0 0 9 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.782 95.8 65.8 -60.5 -31.0 47.8 2.2 3.9 726 921 A S T 3< S+ 0 0 4 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.738 96.9 58.0 -64.2 -19.8 48.1 4.3 7.2 727 922 A K T < S+ 0 0 122 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.368 80.0 118.1 -94.7 2.7 49.7 7.1 5.0 728 923 A S < - 0 0 17 -3,-1.5 6,-0.1 1,-0.1 -3,-0.0 -0.350 67.0-136.3 -65.8 147.5 46.7 7.3 2.8 729 924 A P S S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.681 81.1 90.4 -79.5 -15.8 45.0 10.7 2.7 730 925 A Y S >> S- 0 0 9 1,-0.1 4,-2.4 -444,-0.1 3,-0.9 -0.712 70.4-146.5 -81.9 123.4 41.5 9.1 2.9 731 926 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.4 0.838 98.6 64.3 -59.3 -31.8 40.2 8.5 6.4 732 927 A S H 3> S+ 0 0 17 -445,-0.4 4,-1.2 1,-0.2 -444,-0.1 0.905 110.6 39.1 -54.4 -39.2 38.4 5.3 5.2 733 928 A N H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.949 116.6 46.4 -77.1 -51.4 41.9 3.9 4.5 734 929 A W H X S+ 0 0 11 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.819 114.4 47.5 -67.7 -30.7 43.8 5.2 7.4 735 930 A L H X S+ 0 0 7 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.822 110.4 53.5 -68.5 -41.2 41.1 4.2 9.9 736 931 A T H X S+ 0 0 25 -4,-1.2 4,-2.4 -5,-0.4 5,-0.3 0.918 102.9 58.2 -55.8 -37.1 41.0 0.8 8.2 737 932 A S H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.899 106.3 49.9 -61.8 -37.2 44.8 0.7 8.7 738 933 A L H < S+ 0 0 0 -4,-1.2 4,-0.3 2,-0.2 3,-0.2 0.958 111.5 45.5 -64.1 -53.2 44.2 1.0 12.5 739 934 A S H >< S+ 0 0 25 -4,-2.0 3,-1.2 1,-0.2 37,-0.4 0.902 114.2 47.5 -65.4 -38.3 41.5 -1.8 12.8 740 935 A V H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.721 101.0 66.4 -75.0 -22.6 43.5 -4.4 10.7 741 936 A S G >< S+ 0 0 0 -4,-1.3 3,-2.2 -5,-0.3 6,-0.5 0.575 74.0 92.4 -72.2 -4.7 46.7 -3.7 12.6 742 937 A A G < S+ 0 0 7 -3,-1.2 -1,-0.2 -4,-0.3 36,-0.2 0.830 81.6 56.5 -51.6 -35.7 44.9 -5.2 15.7 743 938 A Y G < S+ 0 0 70 -3,-1.0 -1,-0.3 -4,-0.2 2,-0.3 0.410 106.0 64.0 -80.1 5.3 46.5 -8.5 14.6 744 939 A F S X S- 0 0 33 -3,-2.2 3,-1.5 1,-0.0 -33,-0.0 -0.843 88.6-112.3-131.2 163.8 50.0 -7.0 14.8 745 940 A D T 3 S+ 0 0 146 -2,-0.3 4,-0.3 1,-0.3 3,-0.3 0.556 109.3 70.9 -69.3 -10.2 52.5 -5.5 17.2 746 941 A K T 3> + 0 0 68 -5,-0.2 4,-2.3 1,-0.2 3,-0.3 0.514 66.1 103.8 -82.3 -2.8 52.1 -2.1 15.5 747 942 A Y H <> S+ 0 0 0 -3,-1.5 4,-2.4 -6,-0.5 -1,-0.2 0.905 81.5 43.2 -51.6 -53.5 48.5 -1.6 16.8 748 943 A F H > S+ 0 0 76 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.837 110.3 57.2 -66.2 -32.8 49.3 1.0 19.5 749 944 A E H > S+ 0 0 101 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.952 113.3 40.9 -56.5 -45.8 51.8 2.9 17.1 750 945 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.823 108.9 60.7 -74.1 -29.1 48.8 3.3 14.6 751 946 A Y H X S+ 0 0 6 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.963 111.3 40.4 -56.5 -52.5 46.4 4.0 17.5 752 947 A D H X S+ 0 0 80 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.914 114.7 51.0 -62.0 -48.5 48.6 7.1 18.4 753 948 A K H X S+ 0 0 77 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.950 115.5 41.6 -58.6 -48.1 49.2 8.1 14.7 754 949 A T H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.816 110.1 57.3 -74.9 -29.6 45.5 8.0 13.8 755 950 A Y H >X S+ 0 0 72 -4,-2.1 4,-2.2 -5,-0.2 3,-0.8 0.951 107.5 50.9 -55.8 -50.0 44.4 9.7 17.2 756 951 A K H 3< S+ 0 0 135 -4,-2.4 4,-0.3 1,-0.3 -2,-0.2 0.915 110.4 47.7 -57.6 -38.7 46.7 12.6 16.2 757 952 A L H 3< S+ 0 0 86 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.695 121.4 36.9 -71.1 -23.2 45.1 12.8 12.8 758 953 A S H X< S+ 0 0 0 -4,-1.1 3,-1.5 -3,-0.8 7,-0.3 0.608 90.7 87.5 -99.5 -25.2 41.5 12.7 14.3 759 954 A K T 3< S+ 0 0 79 -4,-2.2 -3,-0.1 1,-0.3 -2,-0.1 0.684 86.3 50.8 -65.6 -22.6 41.7 14.7 17.5 760 955 A D T 3 S+ 0 0 106 -4,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.356 98.3 68.0 -99.4 4.8 41.0 18.2 16.2 761 956 A D S <> S- 0 0 10 -3,-1.5 4,-2.5 1,-0.1 5,-0.2 -0.994 74.1-148.5-120.3 120.0 37.9 17.4 14.2 762 957 A E H > S+ 0 0 35 -2,-0.5 4,-1.3 1,-0.2 -1,-0.1 0.845 95.7 42.3 -58.5 -36.6 35.0 16.5 16.5 763 958 A L H > S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.887 113.3 50.4 -79.7 -33.7 33.3 14.1 14.0 764 959 A L H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.846 107.7 55.1 -76.0 -31.7 36.5 12.5 12.8 765 960 A L H X S+ 0 0 31 -4,-2.5 4,-2.6 -7,-0.3 -1,-0.2 0.921 105.7 52.8 -64.4 -39.6 37.4 11.9 16.4 766 961 A Q H X S+ 0 0 4 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.908 109.1 49.0 -60.3 -41.2 34.0 10.1 16.8 767 962 A E H X S+ 0 0 23 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.855 109.2 52.4 -64.0 -38.6 34.9 7.8 13.8 768 963 A W H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.922 108.7 51.6 -61.2 -46.4 38.3 7.1 15.4 769 964 A L H X S+ 0 0 2 -4,-2.6 4,-3.4 1,-0.2 -2,-0.2 0.940 109.4 48.5 -60.2 -44.2 36.5 6.1 18.6 770 965 A K H X S+ 0 0 55 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.879 110.4 53.0 -59.1 -36.6 34.2 3.7 16.7 771 966 A T H < S+ 0 0 5 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.926 112.7 42.8 -69.5 -48.0 37.3 2.3 15.0 772 967 A V H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.969 112.5 53.7 -56.1 -52.6 39.0 1.6 18.3 773 968 A S H 3< S+ 0 0 0 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.793 113.2 43.0 -54.5 -35.8 35.8 0.3 19.9 774 969 A R T 3< S+ 0 0 124 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.400 85.6 128.0 -91.6 -2.5 35.3 -2.3 17.0 775 970 A S < - 0 0 0 -3,-1.9 2,-2.0 -4,-0.4 -35,-0.1 -0.349 67.4-122.7 -60.1 136.3 39.0 -3.3 16.9 776 971 A D + 0 0 68 -37,-0.4 2,-0.4 -2,-0.1 -1,-0.1 -0.481 58.4 148.5 -83.4 79.3 39.6 -7.1 17.2 777 972 A R > - 0 0 42 -2,-2.0 3,-1.0 1,-0.1 4,-0.1 -0.901 51.1-149.7-118.4 133.8 41.8 -6.9 20.2 778 973 A K T 3 S+ 0 0 84 -2,-0.4 3,-0.4 1,-0.2 -1,-0.1 0.815 106.3 52.1 -68.2 -33.1 42.2 -9.4 23.1 779 974 A D T 3> S+ 0 0 51 1,-0.2 4,-2.0 2,-0.1 3,-0.4 0.047 73.6 125.9 -89.5 31.4 42.9 -6.5 25.4 780 975 A I H <> + 0 0 0 -3,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.792 67.4 56.9 -62.7 -31.5 39.7 -4.6 24.3 781 976 A Y H > S+ 0 0 42 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.926 109.8 44.4 -65.8 -40.2 38.4 -4.2 27.8 782 977 A E H > S+ 0 0 91 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.876 111.8 54.2 -68.8 -37.2 41.6 -2.4 28.9 783 978 A I H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.915 106.7 51.2 -63.1 -40.8 41.4 -0.3 25.7 784 979 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.878 108.1 51.5 -61.9 -35.2 37.8 0.7 26.5 785 980 A K H X S+ 0 0 59 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.873 108.7 52.7 -73.0 -35.1 38.9 1.8 30.0 786 981 A K H X S+ 0 0 64 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.904 108.6 48.5 -63.3 -45.1 41.6 3.9 28.3 787 982 A L H X>S+ 0 0 0 -4,-2.2 5,-3.2 1,-0.2 4,-2.2 0.883 110.6 53.2 -61.6 -39.3 39.2 5.7 26.0 788 983 A E H <>S+ 0 0 49 -4,-2.1 5,-2.2 4,-0.2 -2,-0.2 0.925 116.6 36.7 -60.2 -45.8 37.0 6.4 29.0 789 984 A N H <5S+ 0 0 118 -4,-1.9 -2,-0.2 3,-0.1 -1,-0.2 0.799 129.0 30.7 -77.5 -32.8 39.8 8.0 31.0 790 985 A E H <5S+ 0 0 105 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.784 134.0 6.7-100.8 -33.9 41.6 9.8 28.2 791 986 A V T <5S+ 0 0 35 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.706 126.2 40.1-123.6 -54.1 39.0 10.7 25.5 792 987 A L T > > - 0 0 12 1,-0.2 4,-2.1 -536,-0.1 3,-0.9 -0.641 58.9-148.5 -72.2 119.4 27.3 14.1 23.7 798 993 A P H 3> S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.868 96.6 59.5 -64.3 -29.8 25.3 11.0 22.5 799 994 A N H 3> S+ 0 0 6 -539,-0.3 4,-1.2 1,-0.2 5,-0.1 0.858 108.0 45.3 -61.1 -38.1 27.6 10.8 19.4 800 995 A D H <> S+ 0 0 31 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.929 115.4 45.2 -68.9 -51.0 30.6 10.3 21.8 801 996 A I H X S+ 0 0 7 -4,-2.1 4,-2.0 1,-0.2 5,-0.3 0.944 114.6 48.0 -57.1 -49.0 28.9 7.7 24.0 802 997 A R H X S+ 0 0 34 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.825 110.5 53.4 -61.8 -32.5 27.5 5.7 21.1 803 998 A A H < S+ 0 0 0 -4,-1.2 -1,-0.2 -5,-0.3 -30,-0.2 0.845 109.9 46.1 -75.4 -40.9 30.9 5.7 19.3 804 999 A V H < S+ 0 0 0 -4,-1.9 4,-0.3 -3,-0.2 -2,-0.2 0.890 127.2 23.5 -66.2 -38.6 32.8 4.3 22.3 805 1000 A Y H X S+ 0 0 11 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.835 106.8 61.8-103.7 -39.8 30.2 1.5 23.1 806 1001 A L H X S+ 0 0 47 -4,-1.9 4,-0.6 -5,-0.3 3,-0.3 0.933 103.6 50.0 -66.2 -44.2 28.0 0.3 20.3 807 1002 A P H >4 S+ 0 0 18 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.934 108.7 53.9 -59.6 -40.8 30.7 -1.0 17.9 808 1003 A F H >4 S+ 0 0 0 -4,-0.3 3,-2.6 1,-0.3 7,-0.3 0.875 97.0 65.9 -55.0 -37.1 32.3 -3.0 20.8 809 1004 A T H 3< S+ 0 0 10 -4,-1.5 -1,-0.3 -3,-0.3 -3,-0.1 0.667 95.7 59.3 -68.2 -11.9 28.9 -4.7 21.5 810 1005 A N T << S+ 0 0 77 -3,-1.7 2,-1.1 -4,-0.6 -1,-0.3 0.424 72.4 111.2 -90.9 3.7 29.2 -6.3 18.0 811 1006 A N <>> - 0 0 18 -3,-2.6 4,-2.0 1,-0.2 5,-0.7 -0.677 58.1-160.0 -81.1 104.4 32.4 -8.0 19.0 812 1007 A L H >5S+ 0 0 17 -2,-1.1 4,-0.6 1,-0.2 -1,-0.2 0.919 81.5 37.3 -58.9 -48.2 31.1 -11.6 19.0 813 1008 A R H 45S+ 0 0 66 2,-0.1 -1,-0.2 -3,-0.1 -165,-0.1 0.900 126.1 33.3 -65.3 -42.8 33.8 -13.2 21.2 814 1009 A R H >45S+ 0 0 70 2,-0.2 3,-1.9 1,-0.1 8,-0.2 0.904 114.1 49.6 -95.0 -44.2 34.5 -10.5 23.6 815 1010 A F H 3<5S+ 0 0 0 -4,-2.0 7,-0.3 -7,-0.3 8,-0.2 0.895 116.8 47.6 -57.8 -38.9 31.2 -8.6 24.2 816 1011 A H T 3< S+ 0 0 5 -3,-2.7 4,-2.3 -4,-0.1 3,-0.2 0.506 71.0 133.2 81.0 6.7 29.0 -11.6 31.6 821 1016 A K H > + 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.763 69.8 51.7 -63.6 -34.1 31.5 -8.7 32.0 822 1017 A G H > S+ 0 0 0 -5,-0.3 4,-2.3 -7,-0.3 -1,-0.2 0.889 110.0 47.2 -68.4 -43.7 30.5 -7.2 28.7 823 1018 A Y H > S+ 0 0 0 -6,-0.3 4,-2.2 -8,-0.2 -2,-0.2 0.856 113.2 51.8 -64.4 -38.3 26.8 -7.2 29.6 824 1019 A K H X S+ 0 0 105 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.929 108.9 48.9 -55.9 -52.2 27.8 -5.7 32.9 825 1020 A L H X S+ 0 0 28 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.921 113.0 46.2 -58.9 -50.9 29.8 -2.9 31.3 826 1021 A I H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.921 111.3 53.0 -60.6 -44.2 26.9 -1.9 28.8 827 1022 A A H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.911 106.8 51.8 -56.8 -38.6 24.4 -2.0 31.7 828 1023 A E H X S+ 0 0 102 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.929 112.1 47.5 -64.1 -40.3 26.5 0.4 33.7 829 1024 A V H X S+ 0 0 9 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.889 110.4 50.3 -68.5 -41.7 26.7 2.8 30.7 830 1025 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.921 112.3 47.6 -59.3 -48.4 22.9 2.6 30.1 831 1026 A T H X S+ 0 0 35 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.911 113.4 47.5 -62.1 -40.7 22.1 3.4 33.8 832 1027 A K H < S+ 0 0 115 -4,-2.1 3,-0.5 2,-0.2 4,-0.4 0.893 114.6 46.8 -65.2 -43.3 24.6 6.3 33.8 833 1028 A T H >X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 3,-1.7 0.882 101.0 65.8 -69.4 -36.2 23.2 7.7 30.6 834 1029 A D H 3< S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.802 87.3 71.2 -59.3 -30.5 19.6 7.3 31.8 835 1030 A K T 3< S+ 0 0 128 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.841 121.3 9.7 -50.1 -33.8 20.3 10.0 34.5 836 1031 A F T <4 S+ 0 0 33 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.2 0.641 136.7 30.8-125.7 -25.2 20.4 12.7 31.8 837 1032 A N X + 0 0 0 -4,-3.0 4,-2.3 1,-0.1 5,-0.2 -0.691 52.6 175.8-141.1 85.4 19.2 11.3 28.4 838 1033 A P H > S+ 0 0 35 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.823 81.7 59.7 -59.1 -33.9 16.6 8.4 28.6 839 1034 A M H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.938 110.1 39.7 -60.8 -48.7 16.3 8.3 24.8 840 1035 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.877 109.8 61.0 -70.1 -33.1 19.9 7.4 24.3 841 1036 A A H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.930 106.3 47.7 -57.6 -40.1 19.9 5.1 27.3 842 1037 A T H >< S+ 0 0 10 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.892 108.0 54.2 -69.9 -36.6 17.3 3.1 25.5 843 1038 A Q H >< S+ 0 0 57 -4,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.889 102.7 57.8 -63.0 -34.6 19.3 3.1 22.3 844 1039 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.646 91.8 71.8 -73.5 -12.4 22.2 1.7 24.2 845 1040 A C T X< + 0 0 0 -3,-1.0 3,-1.9 -4,-0.6 4,-0.4 0.491 67.2 106.5 -72.8 -2.6 20.0 -1.3 25.2 846 1041 A E G X + 0 0 45 -3,-1.4 3,-2.3 1,-0.3 4,-0.3 0.847 68.7 57.2 -54.5 -43.4 20.2 -2.6 21.6 847 1042 A P G > S+ 0 0 16 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.796 100.2 61.6 -59.8 -22.7 22.5 -5.6 22.2 848 1043 A F G X S+ 0 0 0 -3,-1.9 3,-2.0 1,-0.2 4,-0.2 0.557 78.8 88.3 -74.6 -9.7 20.0 -6.9 24.7 849 1044 A K G < S+ 0 0 17 -3,-2.3 3,-0.3 -4,-0.4 -1,-0.2 0.800 90.7 45.2 -63.9 -27.6 17.2 -7.3 22.1 850 1045 A L G X S+ 0 0 19 -3,-0.7 3,-2.3 -4,-0.3 4,-0.5 0.203 77.6 120.5 -95.4 19.0 18.3 -10.8 21.2 851 1046 A W G X S+ 0 0 21 -3,-2.0 3,-1.0 1,-0.3 -1,-0.2 0.836 72.7 50.0 -56.8 -36.8 18.8 -11.9 24.8 852 1047 A N G 3 S+ 0 0 43 -3,-0.3 -1,-0.3 1,-0.2 -208,-0.2 0.397 102.8 63.4 -89.3 5.3 16.2 -14.8 24.6 853 1048 A K G < S+ 0 0 57 -3,-2.3 -208,-2.4 -210,-0.1 -1,-0.2 0.457 88.7 84.9 -96.0 -11.2 17.8 -16.2 21.4 854 1049 A L B < S-b 645 0J 1 -3,-1.0 -210,-0.2 -4,-0.5 -208,-0.2 -0.369 91.9 -70.1 -88.6 171.1 21.2 -17.0 23.0 855 1050 A D > - 0 0 22 -210,-2.3 4,-2.7 -211,-0.3 5,-0.2 -0.100 55.7 -96.8 -50.4 152.3 22.4 -20.1 24.9 856 1051 A T H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.835 121.2 48.7 -38.8 -50.8 21.0 -20.8 28.4 857 1052 A K H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 113.4 45.2 -64.9 -44.6 23.9 -19.3 30.3 858 1053 A R H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.887 108.5 56.3 -71.9 -37.8 24.0 -16.0 28.3 859 1054 A Q H X S+ 0 0 44 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.935 110.8 46.4 -51.5 -49.7 20.2 -15.6 28.4 860 1055 A E H X S+ 0 0 97 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.902 110.5 51.0 -61.1 -46.3 20.5 -15.7 32.2 861 1056 A L H X S+ 0 0 23 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.888 115.4 43.7 -57.0 -42.1 23.6 -13.2 32.3 862 1057 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.899 111.9 51.1 -75.7 -45.6 21.7 -10.7 30.2 863 1058 A L H X S+ 0 0 51 -4,-2.7 4,-3.1 -5,-0.2 5,-0.2 0.898 107.4 55.9 -55.9 -43.3 18.4 -11.1 32.0 864 1059 A N H X S+ 0 0 83 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.938 109.8 45.1 -52.8 -49.3 20.3 -10.5 35.3 865 1060 A E H X S+ 0 0 36 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.855 112.9 50.0 -65.0 -39.9 21.7 -7.2 34.0 866 1061 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.913 111.6 48.4 -63.2 -47.3 18.2 -6.1 32.7 867 1062 A N H X S+ 0 0 68 -4,-3.1 4,-1.3 2,-0.2 -2,-0.2 0.899 110.2 52.8 -58.7 -43.4 16.6 -6.9 36.0 868 1063 A T H < S+ 0 0 78 -4,-2.6 3,-0.5 -5,-0.2 4,-0.4 0.931 111.1 45.9 -53.9 -47.9 19.4 -5.0 37.8 869 1064 A M H >< S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.894 110.3 54.0 -63.1 -39.8 18.7 -1.9 35.5 870 1065 A L H 3< S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.801 103.7 56.8 -64.4 -26.1 15.0 -2.3 36.2 871 1066 A Q T 3< S+ 0 0 104 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.515 76.0 118.7 -89.3 -2.0 15.6 -2.3 39.9 872 1067 A E X - 0 0 78 -3,-1.4 3,-1.6 -4,-0.4 -3,-0.0 -0.445 62.1-143.5 -63.9 127.2 17.4 1.2 39.8 873 1068 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.830 97.7 49.7 -67.9 -25.4 15.3 3.5 41.9 874 1069 A Q T 3 S+ 0 0 165 2,-0.0 -2,-0.1 -3,-0.0 -3,-0.1 0.193 79.0 146.4 -97.5 18.1 15.9 6.5 39.6 875 1070 A I < - 0 0 31 -3,-1.6 -44,-0.0 -5,-0.1 -5,-0.0 -0.232 48.4-118.6 -55.2 136.7 15.0 4.7 36.3 876 1071 A S > - 0 0 19 1,-0.1 4,-2.3 -38,-0.0 5,-0.1 -0.285 17.4-118.2 -69.6 155.5 13.3 6.8 33.6 877 1072 A N H > S+ 0 0 138 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.894 115.3 52.6 -55.5 -43.2 9.9 6.0 32.3 878 1073 A N H > S+ 0 0 11 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 113.0 40.8 -62.3 -48.5 11.3 5.5 28.9 879 1074 A L H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.954 115.6 52.5 -69.5 -41.5 14.0 3.0 30.0 880 1075 A K H X S+ 0 0 51 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.920 110.1 45.9 -58.7 -50.8 11.6 1.2 32.4 881 1076 A E H X S+ 0 0 22 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.851 113.4 51.0 -61.6 -37.6 8.8 0.7 29.8 882 1077 A Y H X S+ 0 0 23 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.905 113.2 42.9 -66.4 -44.4 11.3 -0.6 27.2 883 1078 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.865 111.4 54.9 -78.3 -31.7 13.0 -3.1 29.5 884 1079 A L H <>S+ 0 0 68 -4,-2.4 5,-2.6 -5,-0.3 4,-0.2 0.913 113.5 42.8 -63.4 -38.1 9.6 -4.3 30.9 885 1080 A R H ><5S+ 0 0 88 -4,-1.7 3,-1.0 -5,-0.2 -2,-0.2 0.924 114.5 50.8 -76.0 -41.0 8.5 -5.0 27.4 886 1081 A L H 3<5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.864 113.7 42.9 -63.5 -38.6 11.8 -6.6 26.4 887 1082 A T T 3<5S- 0 0 11 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.366 109.4-122.0 -93.9 8.5 12.0 -9.0 29.4 888 1083 A N T < 5 0 0 102 -3,-1.0 -3,-0.2 -4,-0.2 -4,-0.1 0.859 360.0 360.0 59.3 41.6 8.3 -9.9 29.0 889 1084 A K < 0 0 98 -5,-2.6 -1,-0.1 -6,-0.2 -5,-0.1 -0.011 360.0 360.0-132.0 360.0 7.5 -8.8 32.6