==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JUL-06 2HPT . COMPND 2 MOLECULE: AMINOPEPTIDASE N; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR A ADDLAGATTA,B.W.MATTHEWS,L.GAY . 866 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 66 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 297 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 2 0 2 1 0 2 1 4 1 3 1 2 1 3 0 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 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 0 PARALLEL BRIDGES PER LADDER . 3 5 0 5 1 3 0 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 3 1 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 5 A P 0 0 103 0, 0.0 2,-0.4 0, 0.0 366,-0.1 0.000 360.0 360.0 360.0 114.9 76.0 -15.7 -29.2 2 6 A Q - 0 0 169 364,-0.1 2,-0.1 1,-0.0 363,-0.1 -0.725 360.0-129.4 -98.8 127.2 72.5 -15.0 -30.6 3 7 A A - 0 0 26 -2,-0.4 2,-0.4 361,-0.1 363,-0.3 -0.392 21.3-148.2 -61.6 143.8 69.8 -12.7 -29.1 4 8 A K E -A 365 0A 131 361,-3.0 361,-2.6 -2,-0.1 2,-0.4 -0.927 9.6-143.6-116.1 149.1 66.3 -14.3 -28.8 5 9 A Y E > -A 364 0A 90 -2,-0.4 3,-2.0 359,-0.2 359,-0.2 -0.916 14.9-141.0-122.3 131.5 63.2 -12.2 -29.1 6 10 A R G > S+ 0 0 62 357,-2.6 3,-1.4 -2,-0.4 358,-0.1 0.832 104.3 60.8 -58.4 -33.8 59.8 -12.5 -27.3 7 11 A H G 3 S+ 0 0 145 356,-0.4 -1,-0.3 1,-0.3 357,-0.1 0.624 92.4 67.9 -73.1 -9.7 57.9 -11.7 -30.5 8 12 A D G < + 0 0 107 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.439 69.8 137.6 -84.1 1.2 59.5 -14.9 -32.1 9 13 A Y < + 0 0 69 -3,-1.4 2,-0.3 -4,-0.2 299,-0.0 -0.220 26.0 171.9 -53.4 132.6 57.5 -17.1 -29.8 10 14 A R - 0 0 156 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.999 39.6-101.8-141.5 135.7 56.0 -20.1 -31.7 11 15 A A - 0 0 64 -2,-0.3 2,-0.1 1,-0.1 30,-0.0 -0.239 54.7 -93.7 -50.2 143.2 54.2 -23.2 -30.5 12 16 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 29,-0.0 -0.401 20.6-136.3 -66.8 141.1 56.7 -26.2 -30.4 13 17 A D S S+ 0 0 38 28,-0.1 28,-3.7 34,-0.1 29,-2.6 0.794 91.7 30.1 -59.5 -31.7 56.7 -28.6 -33.6 14 18 A Y E -B 40 0B 5 26,-0.3 2,-0.3 27,-0.2 26,-0.2 -0.967 69.4-153.7-129.9 144.7 56.8 -31.6 -31.2 15 19 A Q E -B 39 0B 39 24,-3.2 24,-2.6 -2,-0.4 2,-0.5 -0.846 7.5-149.9-104.6 151.7 55.5 -32.3 -27.7 16 20 A I E +B 38 0B 1 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.999 15.0 179.5-114.6 124.5 57.0 -34.9 -25.3 17 21 A T E + 0 0 49 20,-2.5 119,-2.1 -2,-0.5 2,-0.3 0.672 65.5 15.9 -96.6 -24.7 54.2 -36.2 -23.1 18 22 A D E -Bc 37 136B 39 19,-0.7 19,-2.3 117,-0.3 2,-0.4 -0.988 59.4-167.9-152.4 137.5 56.2 -38.7 -20.9 19 23 A I E -Bc 36 137B 0 117,-2.8 119,-2.1 -2,-0.3 2,-0.6 -0.992 6.0-163.2-136.8 132.9 59.9 -39.2 -20.2 20 24 A D E -Bc 35 138B 61 15,-2.7 15,-2.5 -2,-0.4 2,-0.4 -0.950 18.4-166.0-113.0 112.6 61.4 -42.2 -18.4 21 25 A L E -Bc 34 139B 1 117,-3.3 119,-3.2 -2,-0.6 2,-0.4 -0.827 11.8-170.2-105.8 140.3 65.0 -41.4 -17.3 22 26 A T E -Bc 33 140B 42 11,-2.3 11,-2.6 -2,-0.4 2,-0.6 -1.000 4.8-167.0-125.0 125.6 67.8 -43.8 -16.1 23 27 A F E -Bc 32 141B 0 117,-2.5 119,-2.7 -2,-0.4 2,-0.9 -0.982 10.7-164.7-113.0 118.4 70.9 -42.4 -14.5 24 28 A D E -Bc 31 142B 57 7,-2.7 7,-1.9 -2,-0.6 2,-0.3 -0.915 36.1-144.0 -94.6 97.4 73.8 -44.8 -14.1 25 29 A L + 0 0 8 117,-3.1 119,-0.4 -2,-0.9 2,-0.3 -0.516 39.4 142.2 -86.7 131.9 75.5 -42.4 -11.7 26 30 A D - 0 0 66 -2,-0.3 71,-0.2 117,-0.1 -2,-0.1 -0.939 47.8-129.9-158.2 139.8 79.2 -41.8 -11.3 27 31 A A S S+ 0 0 10 -2,-0.3 70,-3.4 1,-0.2 71,-0.3 0.868 110.9 37.6 -59.8 -38.6 81.1 -38.6 -10.6 28 32 A Q S S+ 0 0 130 1,-0.3 2,-0.3 68,-0.2 -1,-0.2 0.889 134.8 10.0 -79.7 -40.7 83.6 -39.1 -13.6 29 33 A K - 0 0 115 66,-0.1 2,-0.4 68,-0.1 -1,-0.3 -0.883 62.2-175.5-149.0 108.7 81.1 -40.6 -16.0 30 34 A T E - D 0 94B 0 64,-2.4 64,-2.2 -2,-0.3 2,-0.5 -0.892 16.4-148.4-101.8 132.4 77.2 -40.7 -15.7 31 35 A V E -BD 24 93B 38 -7,-1.9 -7,-2.7 -2,-0.4 2,-0.5 -0.904 12.8-161.1-101.5 126.9 75.3 -42.6 -18.4 32 36 A V E -BD 23 92B 0 60,-3.2 60,-2.6 -2,-0.5 2,-0.5 -0.942 7.5-169.5-110.6 126.3 71.9 -41.1 -19.1 33 37 A T E -BD 22 91B 31 -11,-2.6 -11,-2.3 -2,-0.5 2,-0.5 -0.984 9.2-173.3-110.2 125.6 69.2 -43.2 -20.8 34 38 A A E -BD 21 90B 2 56,-3.1 56,-2.7 -2,-0.5 2,-0.6 -0.963 9.5-172.7-128.7 112.7 66.2 -41.1 -21.8 35 39 A V E -BD 20 89B 40 -15,-2.5 -15,-2.7 -2,-0.5 2,-0.4 -0.937 15.8-178.2-106.2 110.7 63.0 -42.7 -23.3 36 40 A S E -BD 19 88B 3 52,-2.7 52,-3.3 -2,-0.6 2,-0.7 -0.925 24.6-140.8-118.1 138.9 60.5 -40.0 -24.4 37 41 A Q E -BD 18 87B 65 -19,-2.3 -20,-2.5 -2,-0.4 -19,-0.7 -0.870 32.1-167.0 -98.5 116.5 57.1 -40.4 -25.9 38 42 A A E -BD 16 86B 3 48,-2.9 48,-1.5 -2,-0.7 2,-0.4 -0.718 17.9-165.7-115.2 152.3 56.7 -37.8 -28.6 39 43 A V E -BD 15 85B 17 -24,-2.6 -24,-3.2 -2,-0.3 2,-0.3 -0.985 20.6-131.3-137.0 123.9 53.9 -36.3 -30.6 40 44 A R E +B 14 0B 33 44,-3.3 -26,-0.3 -2,-0.4 -27,-0.1 -0.546 31.1 163.6 -68.6 133.4 54.2 -34.2 -33.7 41 45 A H + 0 0 123 -28,-3.7 -27,-0.2 -2,-0.3 -1,-0.2 0.532 59.4 68.5-113.5 -23.1 52.1 -31.0 -33.8 42 46 A G S S- 0 0 25 -29,-2.6 -29,-0.0 1,-0.2 -2,-0.0 0.067 102.0 -45.6 -91.1-167.6 53.9 -29.3 -36.6 43 47 A A > - 0 0 57 1,-0.1 3,-2.4 2,-0.1 -1,-0.2 -0.307 56.0-117.9 -61.0 142.2 54.3 -29.8 -40.3 44 48 A S T 3 S+ 0 0 94 1,-0.3 38,-0.1 -3,-0.1 -1,-0.1 0.638 114.1 51.2 -63.6 -10.8 55.0 -33.4 -41.2 45 49 A D T 3 S+ 0 0 141 36,-0.1 -1,-0.3 2,-0.1 36,-0.1 0.239 82.5 116.1-106.3 12.0 58.4 -32.5 -42.7 46 50 A A < - 0 0 13 -3,-2.4 36,-0.3 -33,-0.1 2,-0.1 -0.659 62.7-131.5 -79.4 132.9 59.6 -30.5 -39.6 47 51 A P - 0 0 27 0, 0.0 2,-0.6 0, 0.0 33,-0.2 -0.460 19.3-111.3 -81.3 159.7 62.6 -32.1 -37.9 48 52 A L E -I 79 0C 1 31,-3.0 31,-3.0 -2,-0.1 2,-0.6 -0.848 33.9-160.5 -84.1 122.6 62.7 -32.6 -34.2 49 53 A R E -I 78 0C 141 -2,-0.6 2,-0.4 29,-0.2 29,-0.2 -0.930 7.7-169.7-111.9 113.7 65.3 -30.2 -32.8 50 54 A L E -I 77 0C 0 27,-3.0 27,-2.1 -2,-0.6 2,-0.3 -0.848 18.2-128.4-105.0 137.6 66.6 -31.0 -29.4 51 55 A N E +IJ 76 127C 38 76,-2.3 76,-1.8 -2,-0.4 2,-0.3 -0.592 34.9 163.7 -74.2 135.0 68.8 -28.8 -27.2 52 56 A G - 0 0 3 23,-2.1 2,-0.4 -2,-0.3 71,-0.2 -0.966 17.6-168.3-155.0 138.1 72.0 -30.3 -25.8 53 57 A E S S- 0 0 53 69,-2.6 21,-0.0 -2,-0.3 -2,-0.0 -0.997 73.9 -14.4-126.6 128.2 75.2 -28.8 -24.3 54 58 A D S S+ 0 0 143 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.914 90.7 151.2 53.0 51.6 78.4 -30.7 -23.6 55 59 A L - 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0 0 6 80,-0.1 82,-0.3 4,-0.1 80,-0.1 -0.987 41.4-101.4-154.7 153.5 64.5 -4.1 -19.2 359 363 A P - 0 0 3 0, 0.0 80,-0.2 0, 0.0 77,-0.1 -0.397 45.7-104.7 -66.8 156.3 60.7 -4.4 -18.8 360 364 A I S S+ 0 0 0 75,-0.7 -47,-0.6 78,-0.3 76,-0.1 0.816 126.0 48.2 -55.1 -29.2 59.5 -7.0 -16.2 361 365 A R S S- 0 0 27 75,-1.4 -1,-0.3 74,-0.2 -50,-0.1 -0.904 99.9-145.8-104.7 96.3 58.6 -9.0 -19.3 362 366 A P - 0 0 2 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.178 14.1-158.5 -62.1 158.4 61.8 -8.6 -21.4 363 367 A D S S+ 0 0 55 1,-0.3 -357,-2.6 -358,-0.1 -356,-0.4 0.637 77.3 33.3-105.8 -19.7 61.7 -8.4 -25.2 364 368 A M E +A 5 0A 62 -359,-0.2 2,-0.4 -358,-0.1 -1,-0.3 -0.989 61.9 171.7-147.1 130.3 65.2 -9.6 -25.9 365 369 A V E +A 4 0A 8 -361,-2.6 -361,-3.0 -2,-0.4 3,-0.2 -1.000 17.7 175.8-143.4 132.4 67.5 -12.0 -24.2 366 370 A I S S+ 0 0 38 -2,-0.4 2,-0.6 1,-0.3 -1,-0.1 0.811 89.4 19.2 -95.7 -52.6 70.9 -13.5 -25.1 367 371 A E S > S- 0 0 41 488,-0.2 3,-2.8 489,-0.1 -1,-0.3 -0.920 70.1-155.6-125.6 107.7 71.5 -15.5 -21.9 368 372 A M G > S+ 0 0 8 -2,-0.6 3,-1.8 1,-0.3 -1,-0.1 0.760 91.0 66.0 -57.0 -31.0 68.4 -16.1 -19.8 369 373 A N G > S+ 0 0 34 1,-0.3 3,-0.7 2,-0.1 -1,-0.3 0.663 90.6 67.9 -64.9 -11.5 70.3 -16.5 -16.5 370 374 A N G < S+ 0 0 7 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.486 92.8 62.1 -78.8 -7.1 71.1 -12.8 -16.9 371 375 A F G < + 0 0 4 -3,-1.8 2,-1.1 -4,-0.2 -1,-0.2 0.052 62.2 103.9-114.3 21.6 67.4 -12.0 -16.4 372 376 A Y < + 0 0 44 -3,-0.7 2,-0.2 4,-0.1 -1,-0.1 -0.670 68.8 152.4 -94.6 71.4 66.9 -13.3 -12.8 373 377 A T S > S- 0 0 14 -2,-1.1 4,-2.9 1,-0.1 5,-0.3 -0.514 70.4-105.5-114.1 164.6 67.0 -9.6 -11.8 374 378 A L H >>S+ 0 0 45 3,-0.2 5,-2.1 1,-0.2 4,-0.8 0.804 122.8 53.5 -48.7 -35.5 65.9 -7.0 -9.3 375 379 A T H 4>S+ 0 0 0 3,-0.2 5,-1.9 4,-0.2 -1,-0.2 0.973 111.2 39.7 -69.6 -54.4 63.6 -5.9 -12.2 376 380 A V H 45S+ 0 0 0 3,-0.2 -2,-0.2 4,-0.1 -1,-0.1 0.891 130.5 31.2 -63.8 -38.9 61.9 -9.3 -12.9 377 381 A Y H X5S+ 0 0 49 -4,-2.9 4,-2.2 3,-0.2 -3,-0.2 0.980 129.9 25.2 -79.1 -73.4 61.7 -10.0 -9.1 378 382 A E H X5S+ 0 0 28 -4,-0.8 4,-2.0 -5,-0.3 -3,-0.2 0.912 130.2 39.0 -70.0 -47.6 61.3 -6.8 -7.1 379 383 A K H > S+ 0 0 65 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.881 128.4 51.1 -61.9 -50.2 42.2 -8.2 -1.4 394 398 A E H > S+ 0 0 143 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.942 116.0 40.1 -56.9 -56.1 38.8 -9.9 -2.2 395 399 A N H X S+ 0 0 43 -4,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.821 113.0 57.2 -63.4 -31.9 38.9 -9.2 -5.9 396 400 A F H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.954 107.5 46.8 -62.5 -48.8 42.6 -10.0 -6.0 397 401 A Q H X S+ 0 0 17 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.880 109.5 55.4 -59.6 -37.9 41.9 -13.5 -4.5 398 402 A K H X S+ 0 0 83 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.894 106.8 49.4 -58.9 -42.7 39.2 -13.9 -7.1 399 403 A G H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.839 110.0 51.2 -67.1 -35.9 41.6 -13.2 -9.9 400 404 A M H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.920 110.9 49.8 -58.9 -47.6 44.1 -15.8 -8.4 401 405 A Q H X S+ 0 0 122 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.880 112.5 45.1 -62.6 -40.9 41.2 -18.3 -8.3 402 406 A L H X S+ 0 0 33 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.893 110.6 56.0 -71.0 -37.8 40.3 -17.6 -11.9 403 407 A Y H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.917 112.4 40.3 -55.4 -50.3 44.0 -17.8 -12.9 404 408 A F H X S+ 0 0 20 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.883 114.1 54.4 -66.7 -39.5 44.4 -21.3 -11.4 405 409 A E H < S+ 0 0 160 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.920 117.5 35.5 -64.6 -43.5 41.0 -22.4 -12.7 406 410 A R H < S+ 0 0 107 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.806 131.6 27.5 -76.3 -34.1 41.9 -21.4 -16.3 407 411 A H H >< S+ 0 0 24 -4,-1.9 3,-1.9 -5,-0.2 -102,-0.2 0.458 74.9 128.5-117.8 -5.4 45.6 -22.3 -16.2 408 412 A D T 3< S+ 0 0 65 -4,-2.6 -104,-0.2 1,-0.3 3,-0.1 -0.338 82.5 22.9 -52.1 128.3 46.2 -25.1 -13.7 409 413 A G T 3 S+ 0 0 54 -106,-3.1 2,-0.3 1,-0.3 -1,-0.3 0.521 114.3 78.4 93.8 4.2 48.2 -27.9 -15.6 410 414 A S E < S-t 304 0F 44 -3,-1.9 -105,-1.9 -107,-0.5 2,-0.5 -0.870 81.8-101.6-142.1 170.1 49.7 -25.6 -18.4 411 415 A A E -t 305 0F 24 -2,-0.3 -105,-0.3 -107,-0.2 2,-0.2 -0.889 47.2-172.8 -98.6 127.2 52.3 -23.0 -19.2 412 416 A A E -t 306 0F 0 -107,-2.7 -105,-2.7 -2,-0.5 -104,-0.4 -0.518 16.1-122.5-117.0 175.7 50.9 -19.5 -19.1 413 417 A T > - 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0 0 139 -3,-0.9 2,-0.4 -4,-0.2 -3,-0.1 -0.242 35.4-170.1 -46.8 137.9 68.9 -5.1 26.7 661 665 A Q - 0 0 31 1,-0.1 -2,-0.1 13,-0.0 -1,-0.0 -0.942 17.0-167.8-139.5 112.9 67.4 -8.7 26.6 662 666 A S S S+ 0 0 74 -2,-0.4 2,-0.4 2,-0.0 -1,-0.1 0.821 77.4 65.0 -72.1 -31.7 69.1 -11.5 28.6 663 667 A E S S- 0 0 120 2,-0.0 2,-0.6 0, 0.0 41,-0.0 -0.761 79.6-140.2 -87.2 139.3 67.0 -14.2 26.8 664 668 A Y + 0 0 33 -2,-0.4 2,-0.4 40,-0.1 -388,-0.1 -0.891 28.0 173.0 -98.0 120.1 67.5 -14.7 23.0 665 669 A R - 0 0 96 -2,-0.6 2,-1.9 2,-0.1 6,-0.0 -0.995 38.1-140.7-126.4 132.7 64.2 -15.3 21.1 666 670 A V + 0 0 37 -2,-0.4 2,-0.4 4,-0.1 3,-0.1 -0.508 66.5 125.2 -80.6 67.3 63.5 -15.6 17.4 667 671 A E S > S- 0 0 110 -2,-1.9 4,-2.8 1,-0.1 3,-0.5 -0.971 70.5-120.2-135.4 143.6 60.3 -13.6 18.0 668 672 A H H > S+ 0 0 72 -2,-0.4 4,-2.2 1,-0.3 5,-0.1 0.858 109.9 50.0 -62.9 -38.8 59.3 -10.4 16.3 669 673 A E H > S+ 0 0 143 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.856 115.7 44.6 -64.3 -37.7 59.0 -8.1 19.4 670 674 A D H > S+ 0 0 9 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.900 111.3 52.4 -72.1 -43.9 62.5 -9.3 20.6 671 675 A I H X S+ 0 0 12 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.908 109.3 51.9 -54.0 -43.7 64.0 -9.0 17.1 672 676 A A H X S+ 0 0 9 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.924 110.7 45.1 -64.2 -48.4 62.6 -5.4 17.0 673 677 A K H X S+ 0 0 59 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.874 115.2 48.9 -58.4 -40.1 64.1 -4.3 20.4 674 678 A R H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.887 108.6 52.2 -72.9 -38.2 67.4 -5.9 19.4 675 679 A T H X S+ 0 0 49 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.913 113.4 45.4 -61.3 -43.0 67.5 -4.2 16.0 676 680 A L H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.908 111.9 51.2 -63.2 -47.0 66.9 -0.9 17.8 677 681 A R H X S+ 0 0 28 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.927 113.4 44.8 -55.1 -49.0 69.5 -1.7 20.4 678 682 A N H X S+ 0 0 20 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.748 108.7 56.0 -70.2 -26.5 72.1 -2.5 17.6 679 683 A A H X S+ 0 0 11 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.894 109.3 48.4 -66.6 -38.1 71.1 0.6 15.6 680 684 A C H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.4 0.950 109.1 52.7 -65.4 -50.4 72.0 2.6 18.8 681 685 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.812 100.6 61.6 -45.6 -43.0 75.3 0.7 19.1 682 686 A R H < S+ 0 0 85 -4,-1.5 4,-0.4 2,-0.2 -1,-0.2 0.936 110.9 39.4 -55.9 -48.0 76.2 1.5 15.4 683 687 A F H >< S+ 0 0 6 -4,-1.2 3,-1.5 -3,-0.4 -2,-0.2 0.910 112.4 56.2 -67.6 -42.3 76.1 5.3 16.3 684 688 A L H >< S+ 0 0 11 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.778 98.1 62.8 -60.5 -30.1 77.8 4.7 19.7 685 689 A A T 3< S+ 0 0 2 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.695 104.0 50.5 -64.5 -23.3 80.7 3.0 17.9 686 690 A F T < S+ 0 0 12 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.160 99.2 78.6-102.4 13.1 81.3 6.3 16.3 687 691 A G S < S- 0 0 20 -3,-1.4 -41,-0.1 1,-0.3 5,-0.1 -0.056 99.7 -10.5-100.3-150.7 81.3 8.4 19.4 688 692 A E S > S- 0 0 123 -43,-0.1 4,-2.7 1,-0.1 -1,-0.3 -0.183 70.4-131.9 -53.5 133.3 84.1 8.9 21.9 689 693 A T H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.788 98.6 45.5 -63.3 -42.3 86.7 6.3 21.2 690 694 A H H > S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.941 116.6 45.3 -71.0 -46.3 87.4 4.8 24.6 691 695 A L H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.908 114.8 50.0 -54.0 -47.6 83.7 4.5 25.5 692 696 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.911 110.3 48.9 -59.8 -47.1 83.0 3.0 21.9 693 697 A D H X S+ 0 0 33 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.834 113.0 47.8 -63.6 -39.0 85.8 0.4 22.2 694 698 A V H X S+ 0 0 65 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.948 114.5 45.8 -62.7 -52.1 84.6 -0.7 25.7 695 699 A L H X S+ 0 0 20 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.923 117.1 43.1 -60.0 -49.2 80.9 -1.0 24.6 696 700 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.939 115.8 46.6 -65.1 -52.6 81.7 -2.8 21.3 697 701 A S H X S+ 0 0 27 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.886 113.0 50.6 -54.4 -43.9 84.3 -5.2 22.8 698 702 A K H X S+ 0 0 105 -4,-2.2 4,-3.1 -5,-0.2 5,-0.2 0.931 110.4 48.7 -62.4 -49.4 82.0 -6.0 25.7 699 703 A Q H X S+ 0 0 8 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.900 110.2 52.3 -60.0 -38.9 79.0 -6.7 23.4 700 704 A F H < S+ 0 0 27 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.914 116.4 38.9 -63.4 -45.5 81.1 -9.1 21.3 701 705 A H H < S+ 0 0 104 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.825 121.0 42.4 -76.9 -35.5 82.4 -11.1 24.3 702 706 A E H < S+ 0 0 131 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.571 82.4 123.8 -88.5 -10.0 79.1 -11.1 26.2 703 707 A A < - 0 0 29 -4,-1.5 3,-0.0 -5,-0.2 -3,-0.0 -0.236 42.9-166.4 -49.1 133.3 76.7 -11.8 23.3 704 708 A N S S+ 0 0 87 -41,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.196 74.0 38.1-104.1 16.4 74.6 -14.9 23.8 705 709 A N S > S- 0 0 6 -428,-0.1 4,-1.8 1,-0.0 -428,-0.2 -0.960 85.6-111.6-156.2 161.0 73.6 -15.0 20.0 706 710 A M H > S+ 0 0 5 -430,-2.7 4,-2.9 -427,-0.6 5,-0.3 0.803 109.8 65.7 -71.6 -28.4 75.2 -14.3 16.6 707 711 A T H > S+ 0 0 19 -428,-0.5 4,-2.3 -431,-0.3 -1,-0.2 0.972 108.4 37.2 -56.7 -56.2 73.0 -11.2 16.0 708 712 A D H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.903 117.8 51.9 -67.2 -37.0 74.6 -9.2 19.0 709 713 A A H X S+ 0 0 16 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.927 113.3 42.7 -65.6 -44.0 78.1 -10.6 18.3 710 714 A L H X S+ 0 0 34 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.912 110.5 56.0 -69.1 -39.7 78.1 -9.7 14.6 711 715 A A H X S+ 0 0 23 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.929 112.5 43.8 -56.2 -47.5 76.6 -6.2 15.2 712 716 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.939 115.1 47.2 -57.6 -52.3 79.5 -5.6 17.6 713 717 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.886 112.5 50.6 -63.8 -32.4 82.2 -7.0 15.3 714 718 A S H X S+ 0 0 19 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.856 108.8 49.4 -81.4 -34.1 80.8 -5.1 12.4 715 719 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 6,-0.3 0.850 107.5 57.2 -63.2 -40.3 80.8 -1.7 14.3 716 720 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 8,-0.2 0.933 112.9 40.3 -55.5 -45.0 84.4 -2.4 15.4 717 721 A V H ><5S+ 0 0 4 -4,-1.8 3,-1.1 3,-0.2 -2,-0.2 0.942 114.7 51.2 -68.7 -47.9 85.3 -2.7 11.7 718 722 A A H 3<5S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.908 120.2 34.2 -60.6 -47.2 83.1 0.2 10.5 719 723 A A T 3<5S- 0 0 7 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.269 105.8-126.7 -91.0 7.9 84.5 2.7 13.0 720 724 A Q T < 5 - 0 0 89 -3,-1.1 -3,-0.2 -5,-0.1 -4,-0.1 0.904 40.1-170.6 48.9 50.0 88.0 1.1 12.9 721 725 A L > < - 0 0 12 -5,-2.3 3,-2.0 -6,-0.3 4,-0.3 -0.281 34.9-111.8 -73.9 155.8 88.0 0.7 16.7 722 726 A P T 3 S+ 0 0 94 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.849 118.0 55.5 -56.1 -32.9 91.2 -0.3 18.5 723 727 A C T 3> S+ 0 0 14 1,-0.2 4,-2.4 2,-0.1 3,-0.3 0.553 81.4 98.5 -72.9 -9.0 89.6 -3.7 19.4 724 728 A R H <> S+ 0 0 55 -3,-2.0 4,-2.4 -8,-0.2 5,-0.2 0.873 80.6 44.3 -51.9 -52.9 88.9 -4.5 15.7 725 729 A D H > S+ 0 0 102 -3,-0.5 4,-1.9 -4,-0.3 -1,-0.2 0.847 114.3 48.1 -67.3 -38.5 91.9 -6.7 14.9 726 730 A A H > S+ 0 0 58 -4,-0.3 4,-2.7 -3,-0.3 -1,-0.2 0.940 113.7 46.7 -66.9 -48.6 91.7 -8.8 18.1 727 731 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.924 114.0 48.8 -57.4 -42.2 87.9 -9.4 17.7 728 732 A M H X S+ 0 0 9 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.885 111.7 48.9 -66.9 -38.4 88.4 -10.3 13.9 729 733 A Q H X S+ 0 0 97 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.925 110.7 51.6 -67.2 -43.2 91.2 -12.7 14.7 730 734 A E H X S+ 0 0 77 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.854 109.2 48.5 -59.0 -43.8 89.1 -14.3 17.5 731 735 A Y H X S+ 0 0 4 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.936 111.2 52.0 -65.4 -44.9 86.1 -14.9 15.1 732 736 A D H X S+ 0 0 11 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.940 111.2 46.6 -52.9 -52.4 88.5 -16.4 12.6 733 737 A D H < S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.850 119.1 40.3 -63.9 -35.6 89.9 -18.8 15.2 734 738 A K H < S+ 0 0 132 -4,-2.0 3,-0.2 -5,-0.2 -1,-0.2 0.897 128.3 26.9 -74.7 -43.0 86.5 -19.8 16.5 735 739 A W H >< S+ 0 0 20 -4,-3.1 3,-2.3 -5,-0.2 7,-0.3 0.421 79.4 108.9-110.4 -1.3 84.6 -20.0 13.1 736 740 A H T 3< S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.3 -3,-0.1 0.677 78.0 58.9 -55.1 -23.6 87.1 -20.8 10.3 737 741 A Q T 3 S+ 0 0 122 -3,-0.2 2,-0.7 1,-0.2 -1,-0.3 0.648 95.6 74.2 -77.7 -16.1 85.8 -24.4 9.8 738 742 A N <> - 0 0 23 -3,-2.3 4,-2.4 1,-0.2 3,-0.4 -0.829 61.9-169.9-110.3 96.1 82.3 -23.1 9.1 739 743 A G H > S+ 0 0 18 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.853 86.3 52.4 -48.3 -48.6 82.0 -21.4 5.6 740 744 A L H > S+ 0 0 25 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.880 113.6 43.8 -64.4 -37.8 78.5 -19.9 6.2 741 745 A V H >> S+ 0 0 1 -3,-0.4 4,-0.7 1,-0.2 3,-0.7 0.885 112.6 52.3 -72.9 -39.8 79.7 -18.2 9.4 742 746 A M H 3X S+ 0 0 0 -4,-2.4 4,-3.0 -7,-0.3 3,-0.3 0.763 95.4 70.1 -65.2 -28.5 83.0 -17.1 7.7 743 747 A D H 3X S+ 0 0 10 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.873 95.8 54.4 -53.1 -40.3 81.0 -15.5 4.9 744 748 A K H < S+ 0 0 34 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.941 112.7 50.1 -63.3 -47.7 86.7 -7.5 5.5 750 754 A A H 3< S+ 0 0 0 -4,-2.9 -2,-0.2 30,-0.3 -1,-0.2 0.778 116.1 41.2 -63.2 -33.3 85.4 -6.7 1.9 751 755 A T T 3< S+ 0 0 43 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.055 84.3 133.8-103.3 19.1 83.4 -3.7 3.0 752 756 A S < - 0 0 7 -3,-1.4 -34,-0.1 1,-0.1 5,-0.1 -0.425 54.4-143.0 -70.0 143.5 86.0 -2.3 5.5 753 757 A P + 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 0.459 60.7 128.9 -82.4 0.2 86.7 1.5 5.4 754 758 A A > - 0 0 8 1,-0.1 3,-1.4 -37,-0.1 -37,-0.0 -0.206 69.2-124.7 -54.1 144.7 90.4 0.7 6.1 755 759 A A T 3 S+ 0 0 112 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.781 110.6 49.1 -60.4 -32.5 92.9 2.4 3.7 756 760 A N T 3> S+ 0 0 76 1,-0.2 4,-2.2 2,-0.1 3,-0.3 0.107 71.4 125.7 -98.6 22.9 94.4 -1.1 2.9 757 761 A V H <> S+ 0 0 8 -3,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.848 72.8 49.3 -51.5 -43.1 91.1 -2.9 2.3 758 762 A L H > S+ 0 0 25 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.898 108.7 51.5 -66.6 -43.5 92.1 -4.2 -1.2 759 763 A E H > S+ 0 0 138 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.921 112.7 47.6 -57.2 -43.5 95.5 -5.6 -0.1 760 764 A T H X S+ 0 0 41 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.937 111.3 50.4 -64.7 -43.6 93.6 -7.4 2.7 761 765 A V H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.918 110.7 48.8 -59.6 -47.5 91.0 -8.7 0.2 762 766 A R H >< S+ 0 0 86 -4,-2.9 3,-0.9 1,-0.2 4,-0.3 0.881 110.1 51.2 -58.2 -44.0 93.7 -10.0 -2.2 763 767 A G H >< S+ 0 0 46 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.852 102.2 62.6 -62.7 -33.5 95.5 -11.8 0.7 764 768 A L H >< S+ 0 0 16 -4,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.657 81.5 78.1 -71.2 -16.4 92.2 -13.4 1.7 765 769 A L T << S+ 0 0 30 -3,-0.9 -1,-0.3 -4,-0.7 7,-0.2 0.713 99.8 45.7 -54.7 -24.1 92.1 -15.2 -1.7 766 770 A Q T < S+ 0 0 163 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.299 87.0 129.0 -98.0 5.4 94.6 -17.4 0.1 767 771 A H X - 0 0 27 -3,-1.8 3,-1.4 1,-0.1 -3,-0.0 -0.334 68.1-121.8 -65.4 144.3 92.6 -17.7 3.4 768 772 A R T 3 S+ 0 0 138 1,-0.3 -1,-0.1 3,-0.0 -4,-0.0 0.757 113.9 45.6 -51.4 -32.2 91.9 -21.2 4.9 769 773 A S T 3 S+ 0 0 14 -5,-0.1 2,-0.3 -31,-0.1 -1,-0.3 0.491 98.9 88.4 -92.4 -7.3 88.1 -20.6 4.7 770 774 A F < + 0 0 17 -3,-1.4 2,-0.3 -6,-0.2 3,-0.0 -0.717 47.8 170.3 -92.5 142.6 88.1 -19.1 1.2 771 775 A T > - 0 0 57 -2,-0.3 3,-1.5 3,-0.2 7,-0.2 -0.945 35.5-147.0-148.9 137.9 87.8 -21.0 -2.1 772 776 A M T 3 S+ 0 0 29 -2,-0.3 -1,-0.1 1,-0.2 6,-0.1 0.660 100.8 67.9 -62.9 -17.2 87.2 -20.0 -5.8 773 777 A S T 3 S+ 0 0 52 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.567 89.6 73.7 -79.6 -9.6 85.2 -23.3 -6.1 774 778 A N <> - 0 0 2 -3,-1.5 4,-2.0 1,-0.1 3,-0.4 -0.926 64.0-158.2-118.2 111.7 82.4 -22.0 -3.9 775 779 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.845 95.0 56.6 -52.9 -40.3 79.9 -19.3 -5.1 776 780 A N H > S+ 0 0 3 -524,-0.4 4,-2.3 1,-0.2 5,-0.2 0.934 109.8 44.2 -57.8 -48.5 79.1 -18.3 -1.5 777 781 A R H > S+ 0 0 24 -3,-0.4 4,-1.6 2,-0.2 5,-0.4 0.872 113.8 51.0 -64.8 -38.3 82.8 -17.6 -0.7 778 782 A I H X>S+ 0 0 0 -4,-2.0 5,-2.0 -7,-0.2 4,-1.5 0.937 113.9 43.6 -62.4 -49.7 83.2 -15.7 -4.0 779 783 A R H <>S+ 0 0 47 -4,-2.9 5,-1.2 3,-0.2 -2,-0.2 0.874 113.6 51.4 -64.7 -38.0 80.1 -13.6 -3.4 780 784 A S H <5S+ 0 0 10 -4,-2.3 -30,-0.3 -5,-0.3 -1,-0.2 0.788 126.3 21.5 -72.9 -29.1 81.0 -12.9 0.3 781 785 A L H X5S+ 0 0 0 -4,-1.6 4,-1.3 -3,-0.2 -3,-0.2 0.857 137.0 24.6-104.6 -62.0 84.6 -11.8 -0.4 782 786 A I H X5S+ 0 0 0 -4,-1.5 4,-2.3 -5,-0.4 5,-0.3 0.932 124.7 46.7 -76.8 -48.2 84.8 -10.6 -4.1 783 787 A G H >X + 0 0 14 -4,-1.2 4,-3.2 -5,-0.2 3,-1.0 -0.450 59.7 158.1-121.9 59.2 82.5 -1.3 -1.1 790 794 A P H 3> S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 -159,-0.2 0.845 71.0 60.1 -50.6 -34.0 81.9 1.3 -3.9 791 795 A A H 34 S+ 0 0 26 -161,-0.3 -160,-0.1 1,-0.2 -2,-0.0 0.880 115.6 31.6 -62.6 -40.3 84.4 3.7 -2.2 792 796 A A H X4 S+ 0 0 18 -3,-1.0 3,-1.9 -7,-0.2 8,-0.3 0.846 116.7 55.8 -85.0 -37.0 87.3 1.2 -2.5 793 797 A F H 3< S+ 0 0 0 -4,-3.2 8,-0.3 -8,-0.4 -2,-0.2 0.854 112.9 44.7 -60.6 -38.4 86.1 -0.5 -5.7 794 798 A H T 3< S+ 0 0 3 -4,-2.3 -1,-0.3 -5,-0.3 -163,-0.2 -0.130 81.1 157.2 -96.3 29.4 86.2 3.0 -7.3 795 799 A A X - 0 0 24 -3,-1.9 3,-1.7 1,-0.1 5,-0.3 -0.332 52.1-120.3 -44.7 139.4 89.6 3.9 -5.8 796 800 A E T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.776 110.0 64.7 -64.3 -31.1 90.9 6.6 -8.1 797 801 A D T 3 S- 0 0 115 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.475 109.7-122.6 -69.4 -1.6 94.1 4.7 -9.0 798 802 A G S <> S+ 0 0 4 -3,-1.7 4,-1.6 1,-0.1 3,-0.2 0.623 71.8 133.4 71.0 11.6 91.7 2.2 -10.7 799 803 A S H > + 0 0 30 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.770 66.0 59.8 -63.1 -33.3 93.0 -0.8 -8.6 800 804 A G H > S+ 0 0 0 -8,-0.3 4,-2.2 -5,-0.3 -1,-0.2 0.916 105.9 46.8 -59.7 -45.2 89.5 -1.9 -7.8 801 805 A Y H > S+ 0 0 4 -8,-0.3 4,-2.3 -6,-0.2 -2,-0.2 0.886 111.4 50.8 -64.7 -42.2 88.6 -2.4 -11.5 802 806 A L H X S+ 0 0 120 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.880 108.8 52.4 -65.2 -41.9 91.9 -4.3 -12.2 803 807 A F H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.962 110.7 46.6 -56.6 -50.9 91.2 -6.6 -9.2 804 808 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.887 108.7 55.6 -62.4 -38.9 87.7 -7.5 -10.5 805 809 A V H X S+ 0 0 8 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.935 107.8 49.8 -58.6 -42.9 89.1 -8.0 -14.1 806 810 A E H X S+ 0 0 99 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.914 113.1 45.7 -61.1 -45.4 91.5 -10.6 -12.7 807 811 A M H X S+ 0 0 10 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.895 113.7 48.7 -66.9 -39.3 88.8 -12.4 -10.8 808 812 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.744 102.4 62.3 -76.6 -22.5 86.4 -12.4 -13.8 809 813 A T H X S+ 0 0 54 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.922 111.5 39.8 -67.6 -37.7 89.1 -13.7 -16.0 810 814 A D H >X S+ 0 0 57 -4,-1.4 4,-1.9 1,-0.2 3,-1.0 0.955 118.6 45.7 -67.0 -51.0 89.1 -16.8 -13.8 811 815 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.3 8,-0.4 0.735 96.7 71.3 -77.1 -27.9 85.3 -17.0 -13.3 812 816 A N H 3< S+ 0 0 4 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.873 113.8 29.2 -52.2 -38.7 84.5 -16.5 -16.9 813 817 A S H << S+ 0 0 89 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.818 126.5 44.6 -88.5 -38.0 85.8 -20.0 -17.6 814 818 A R H < S- 0 0 77 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.955 135.3 -7.3 -72.8 -50.6 85.1 -21.6 -14.2 815 819 A N >X - 0 0 4 -4,-2.4 4,-2.4 -714,-0.1 3,-0.6 -0.679 57.9-175.6-157.9 79.3 81.5 -20.4 -13.5 816 820 A P H 3> S+ 0 0 19 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.765 83.8 60.1 -56.0 -30.4 80.0 -17.8 -15.9 817 821 A Q H 3> S+ 0 0 18 -716,-0.2 4,-1.0 2,-0.2 5,-0.1 0.910 111.1 40.2 -69.5 -41.1 76.8 -17.4 -13.9 818 822 A V H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.871 113.0 56.6 -66.4 -41.2 78.7 -16.1 -10.9 819 823 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 -8,-0.4 -2,-0.2 0.940 107.7 49.2 -51.7 -46.9 81.1 -14.1 -13.2 820 824 A S H < S+ 0 0 4 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.793 108.9 50.3 -74.7 -25.7 78.0 -12.3 -14.6 821 825 A R H >< S+ 0 0 140 -4,-1.0 3,-0.7 1,-0.2 -1,-0.2 0.929 113.6 47.9 -68.3 -45.7 76.6 -11.5 -11.1 822 826 A L H 3< S+ 0 0 8 -4,-2.4 -2,-0.2 1,-0.2 4,-0.2 0.697 101.4 62.2 -66.0 -26.4 80.0 -10.1 -10.2 823 827 A I T >X S+ 0 0 0 -4,-1.5 3,-2.5 1,-0.2 4,-0.9 0.753 78.3 93.5 -73.6 -19.0 80.5 -8.0 -13.4 824 828 A E G X4 S+ 0 0 28 -3,-0.7 3,-0.7 -4,-0.5 4,-0.5 0.776 76.3 57.2 -48.3 -43.8 77.5 -5.8 -12.5 825 829 A P G >4 S+ 0 0 26 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.795 106.4 52.7 -58.5 -23.6 79.4 -3.1 -10.6 826 830 A L G X4 S+ 0 0 0 -3,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.752 98.8 60.8 -85.2 -26.1 81.5 -2.5 -13.7 827 831 A I G << S+ 0 0 0 -4,-0.9 3,-0.4 -3,-0.7 -1,-0.2 0.568 87.7 74.5 -81.3 -3.9 78.6 -2.0 -16.1 828 832 A R G X + 0 0 45 -3,-0.5 3,-2.5 -4,-0.5 4,-0.2 0.272 60.4 123.3 -85.4 14.0 77.4 1.0 -14.1 829 833 A L G X + 0 0 0 -3,-0.9 3,-1.7 1,-0.3 -1,-0.2 0.747 59.3 65.6 -50.9 -31.8 80.3 3.1 -15.6 830 834 A K G 3 S+ 0 0 105 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.587 93.2 62.4 -69.3 -12.0 78.0 5.8 -17.1 831 835 A R G < S+ 0 0 32 -3,-2.5 -203,-3.8 -204,-0.1 -1,-0.3 0.480 97.2 75.1 -85.3 -9.4 77.0 6.9 -13.5 832 836 A Y S < S- 0 0 17 -3,-1.7 -203,-0.1 -4,-0.2 5,-0.1 -0.588 92.9 -83.3-108.7 165.6 80.6 7.8 -12.7 833 837 A D > - 0 0 57 -205,-0.5 4,-2.8 -2,-0.2 3,-0.3 -0.176 48.5-100.4 -66.7 164.9 82.8 10.8 -13.6 834 838 A A H > S+ 0 0 80 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.797 121.0 53.1 -62.7 -40.7 84.8 10.7 -17.0 835 839 A K H > S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.900 113.0 45.5 -56.6 -45.3 88.1 9.6 -15.5 836 840 A R H > S+ 0 0 17 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.939 111.3 52.3 -65.0 -47.9 86.4 6.6 -13.8 837 841 A Q H X S+ 0 0 34 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.876 106.3 54.5 -54.7 -39.7 84.4 5.7 -16.9 838 842 A E H X S+ 0 0 133 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.928 111.1 43.8 -64.6 -41.4 87.6 5.7 -18.9 839 843 A K H X S+ 0 0 57 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.899 116.3 47.0 -69.6 -38.4 89.2 3.2 -16.5 840 844 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.892 110.3 52.7 -69.1 -41.0 86.0 1.0 -16.3 841 845 A R H X S+ 0 0 84 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.928 109.4 50.5 -55.3 -46.0 85.6 1.1 -20.1 842 846 A A H X S+ 0 0 56 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.888 110.1 48.9 -63.4 -43.1 89.2 -0.1 -20.4 843 847 A A H X S+ 0 0 6 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.934 111.1 50.2 -57.8 -50.4 88.6 -3.0 -17.9 844 848 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.891 108.6 52.0 -57.1 -42.9 85.4 -4.0 -19.9 845 849 A E H X S+ 0 0 97 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.865 107.1 54.0 -62.9 -39.1 87.5 -4.0 -23.2 846 850 A Q H >< S+ 0 0 121 -4,-1.9 3,-0.7 2,-0.2 -2,-0.2 0.962 111.4 45.2 -53.6 -52.7 90.0 -6.3 -21.5 847 851 A L H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.854 107.9 57.4 -63.1 -37.7 87.1 -8.7 -20.6 848 852 A K H 3< S+ 0 0 96 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.746 102.7 55.4 -64.3 -27.3 85.6 -8.5 -24.1 849 853 A G T << S+ 0 0 65 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.365 78.7 125.3 -87.5 4.4 88.8 -9.7 -25.6 850 854 A L X - 0 0 36 -3,-1.4 3,-0.8 -4,-0.2 2,-0.2 -0.432 66.7-120.7 -61.3 133.3 88.9 -12.9 -23.4 851 855 A E T 3 S+ 0 0 170 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.554 101.3 21.8 -68.1 143.6 89.2 -16.1 -25.5 852 856 A N T 3 S- 0 0 135 -2,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.907 85.8-172.4 54.8 45.9 86.2 -18.2 -24.7 853 857 A L < - 0 0 43 -3,-0.8 -1,-0.2 -5,-0.1 2,-0.1 -0.546 23.2-124.2 -61.8 124.9 84.1 -15.2 -23.5 854 858 A S > - 0 0 17 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.366 9.7-124.4 -71.3 150.2 80.9 -16.7 -22.1 855 859 A G H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.840 110.3 65.1 -57.9 -34.2 77.6 -15.5 -23.5 856 860 A D H > S+ 0 0 12 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.936 112.2 32.4 -57.6 -47.7 76.6 -14.5 -19.9 857 861 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.830 112.7 63.5 -78.7 -35.1 79.4 -11.9 -19.8 858 862 A Y H X S+ 0 0 77 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.905 100.9 52.1 -53.0 -47.6 79.2 -11.0 -23.5 859 863 A E H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.933 115.0 39.8 -57.3 -49.0 75.6 -9.7 -23.2 860 864 A K H X S+ 0 0 14 -4,-0.9 4,-2.5 -5,-0.2 -2,-0.2 0.936 115.0 51.0 -71.6 -45.9 76.4 -7.4 -20.3 861 865 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.895 111.5 48.1 -56.0 -47.0 79.8 -6.2 -21.6 862 866 A T H X S+ 0 0 40 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.891 113.1 46.4 -66.4 -40.0 78.4 -5.3 -25.1 863 867 A K H < S+ 0 0 49 -4,-1.7 3,-0.3 -5,-0.2 -2,-0.2 0.890 115.9 48.4 -62.8 -41.9 75.4 -3.3 -23.6 864 868 A A H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.843 113.1 45.0 -68.4 -37.5 77.8 -1.6 -21.2 865 869 A L H < 0 0 30 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.586 360.0 360.0 -83.9 -9.4 80.3 -0.6 -23.9 866 870 A A < 0 0 115 -4,-0.8 -3,-0.1 -3,-0.3 -4,-0.0 -0.148 360.0 360.0 -69.0 360.0 77.6 0.6 -26.4