==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-DEC-10 3PUU . COMPND 2 MOLECULE: AMINOPEPTIDASE N; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.ADDLAGATTA . 866 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 72.1 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 . 128 14.8 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 . 58 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 34.6 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 2 2 0 2 1 0 2 1 4 1 3 1 2 1 2 1 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 . 4 5 0 5 1 3 1 0 2 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 99 0, 0.0 2,-0.3 0, 0.0 366,-0.1 0.000 360.0 360.0 360.0 130.5 76.0 -15.9 -29.3 2 6 A Q - 0 0 156 364,-0.1 2,-0.1 1,-0.1 363,-0.0 -0.655 360.0-122.2-101.1 137.7 72.7 -15.0 -30.8 3 7 A A - 0 0 20 -2,-0.3 2,-0.4 361,-0.0 363,-0.2 -0.462 21.3-147.3 -72.7 145.7 69.9 -12.9 -29.2 4 8 A K E -A 365 0A 136 361,-3.0 361,-2.6 -2,-0.1 2,-0.4 -0.922 11.1-145.4-114.4 145.5 66.4 -14.4 -28.9 5 9 A Y E > -A 364 0A 92 -2,-0.4 3,-1.4 359,-0.2 359,-0.2 -0.898 15.3-139.8-120.2 133.6 63.3 -12.3 -29.2 6 10 A R G > S+ 0 0 62 357,-2.3 3,-1.7 -2,-0.4 -1,-0.1 0.849 103.6 61.6 -57.0 -40.0 60.0 -12.5 -27.3 7 11 A H G 3 S+ 0 0 142 356,-0.4 -1,-0.3 1,-0.3 357,-0.1 0.633 93.0 68.0 -64.7 -14.4 58.1 -11.7 -30.5 8 12 A D G < + 0 0 105 -3,-1.4 -1,-0.3 2,-0.0 -2,-0.2 0.424 69.0 136.8 -85.4 4.2 59.5 -14.9 -32.1 9 13 A Y < + 0 0 72 -3,-1.7 2,-0.3 -4,-0.1 299,-0.0 -0.219 26.6 174.0 -53.2 139.2 57.6 -17.2 -29.9 10 14 A R - 0 0 158 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.988 37.5-103.7-147.2 134.9 56.1 -20.2 -31.7 11 15 A A - 0 0 64 -2,-0.3 2,-0.1 1,-0.1 30,-0.0 -0.221 54.0 -94.4 -51.5 141.8 54.3 -23.4 -30.4 12 16 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 -0.420 18.0-137.7 -68.6 143.0 56.7 -26.4 -30.5 13 17 A D S S+ 0 0 35 28,-0.1 28,-3.7 1,-0.1 29,-2.5 0.780 92.0 30.8 -62.3 -30.6 56.6 -28.7 -33.6 14 18 A Y E -B 40 0B 4 26,-0.3 2,-0.3 27,-0.2 26,-0.2 -0.977 67.6-157.5-131.6 146.2 56.8 -31.7 -31.2 15 19 A Q E -B 39 0B 40 24,-2.9 24,-2.7 -2,-0.3 2,-0.5 -0.877 9.7-148.0-111.8 150.7 55.6 -32.4 -27.6 16 20 A I E +B 38 0B 1 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.998 15.6 179.9-114.1 122.7 57.0 -35.0 -25.3 17 21 A T E + 0 0 47 20,-2.4 119,-2.5 -2,-0.5 2,-0.3 0.689 66.5 17.4 -94.4 -25.4 54.2 -36.3 -23.0 18 22 A D E -Bc 37 136B 41 19,-0.8 19,-2.5 117,-0.3 2,-0.4 -0.992 60.4-169.6-152.3 136.5 56.2 -38.8 -20.9 19 23 A I E -Bc 36 137B 0 117,-2.8 119,-2.1 -2,-0.3 2,-0.6 -0.993 6.6-162.2-137.6 131.5 59.9 -39.4 -20.2 20 24 A D E -Bc 35 138B 62 15,-2.7 15,-2.4 -2,-0.4 2,-0.4 -0.943 18.2-167.1-114.0 111.3 61.5 -42.3 -18.5 21 25 A L E -Bc 34 139B 1 117,-3.0 119,-3.5 -2,-0.6 2,-0.4 -0.778 11.7-170.4-104.7 136.5 65.0 -41.5 -17.3 22 26 A T E -Bc 33 140B 39 11,-2.7 11,-2.6 -2,-0.4 2,-0.5 -0.999 5.2-165.8-121.5 129.7 67.8 -43.9 -16.1 23 27 A F E -Bc 32 141B 1 117,-2.7 119,-3.2 -2,-0.4 2,-1.1 -0.968 13.3-165.0-113.1 117.7 71.0 -42.6 -14.5 24 28 A D E -Bc 31 142B 62 7,-2.7 7,-2.0 -2,-0.5 2,-0.3 -0.860 37.5-149.0 -91.3 93.2 73.9 -44.9 -14.0 25 29 A L + 0 0 7 117,-2.6 119,-0.4 -2,-1.1 2,-0.3 -0.515 37.4 142.3 -82.4 133.4 75.5 -42.4 -11.6 26 30 A D - 0 0 76 -2,-0.3 71,-0.2 117,-0.1 -2,-0.1 -0.908 49.5-126.9-163.4 137.6 79.2 -41.8 -11.1 27 31 A A S S+ 0 0 8 -2,-0.3 70,-3.1 1,-0.2 71,-0.4 0.842 110.0 40.7 -58.8 -36.7 81.0 -38.5 -10.5 28 32 A Q S S+ 0 0 129 1,-0.3 2,-0.3 68,-0.2 -1,-0.2 0.896 133.0 8.2 -80.4 -40.3 83.5 -39.1 -13.4 29 33 A K - 0 0 115 66,-0.1 2,-0.5 68,-0.0 -1,-0.3 -0.902 63.7-172.4-148.8 112.3 81.1 -40.5 -15.9 30 34 A T E - D 0 94B 0 64,-2.8 64,-2.0 -2,-0.3 2,-0.5 -0.901 13.8-149.4-104.1 132.6 77.3 -40.7 -15.7 31 35 A V E -BD 24 93B 36 -7,-2.0 -7,-2.7 -2,-0.5 2,-0.5 -0.914 12.4-163.0-102.2 126.7 75.4 -42.6 -18.3 32 36 A V E -BD 23 92B 0 60,-3.0 60,-2.3 -2,-0.5 2,-0.5 -0.936 7.9-170.3-112.6 126.9 71.9 -41.2 -19.0 33 37 A T E -BD 22 91B 32 -11,-2.6 -11,-2.7 -2,-0.5 2,-0.5 -0.981 10.1-174.3-112.5 123.8 69.3 -43.3 -20.8 34 38 A A E -BD 21 90B 2 56,-2.8 56,-2.5 -2,-0.5 2,-0.6 -0.973 9.4-171.2-126.1 120.2 66.2 -41.2 -21.7 35 39 A V E -BD 20 89B 37 -15,-2.4 -15,-2.7 -2,-0.5 2,-0.4 -0.938 15.2-175.4-115.0 110.5 63.1 -42.8 -23.2 36 40 A S E -BD 19 88B 2 52,-2.8 52,-3.1 -2,-0.6 2,-0.7 -0.855 25.0-142.2-112.4 140.5 60.6 -40.2 -24.4 37 41 A Q E -BD 18 87B 63 -19,-2.5 -20,-2.4 -2,-0.4 -19,-0.8 -0.899 32.6-169.7 -97.0 112.2 57.0 -40.5 -25.9 38 42 A A E -BD 16 86B 3 48,-2.6 48,-1.6 -2,-0.7 2,-0.4 -0.781 15.9-166.4-110.1 148.6 56.8 -37.8 -28.5 39 43 A V E -BD 15 85B 18 -24,-2.7 -24,-2.9 -2,-0.3 2,-0.4 -0.997 21.1-130.3-132.1 127.0 53.8 -36.4 -30.6 40 44 A R E +B 14 0B 34 44,-3.1 -26,-0.3 -2,-0.4 -27,-0.1 -0.629 30.6 166.0 -75.4 132.3 54.2 -34.2 -33.6 41 45 A H + 0 0 123 -28,-3.7 -27,-0.2 -2,-0.4 -1,-0.2 0.631 59.8 61.0-112.6 -26.1 52.0 -31.1 -33.6 42 46 A G S S- 0 0 32 -29,-2.5 2,-0.0 1,-0.2 -29,-0.0 0.173 103.4 -33.7 -86.8-156.7 53.7 -29.2 -36.5 43 47 A A > - 0 0 57 1,-0.1 3,-2.6 2,-0.1 -1,-0.2 -0.318 57.5-117.4 -68.3 145.3 54.2 -29.9 -40.2 44 48 A S T 3 S+ 0 0 96 1,-0.3 38,-0.2 -3,-0.1 -1,-0.1 0.723 114.9 47.9 -60.3 -22.6 54.6 -33.5 -41.2 45 49 A D T 3 S+ 0 0 137 36,-0.1 -1,-0.3 2,-0.1 36,-0.2 0.286 82.5 123.1 -99.4 8.5 58.2 -32.8 -42.6 46 50 A A < - 0 0 10 -3,-2.6 36,-0.3 -33,-0.1 2,-0.2 -0.522 58.3-133.0 -69.0 130.3 59.4 -30.8 -39.5 47 51 A P - 0 0 29 0, 0.0 2,-0.6 0, 0.0 33,-0.2 -0.521 19.7-111.0 -77.8 157.8 62.5 -32.3 -37.9 48 52 A L E -I 79 0C 1 31,-2.9 31,-3.0 -2,-0.2 2,-0.7 -0.821 31.7-160.4 -85.9 122.5 62.7 -32.8 -34.2 49 53 A R E -I 78 0C 135 -2,-0.6 2,-0.4 29,-0.2 29,-0.2 -0.869 8.7-171.9-112.3 102.8 65.3 -30.3 -32.8 50 54 A L E -I 77 0C 0 27,-2.8 27,-2.4 -2,-0.7 2,-0.3 -0.742 18.3-130.4 -96.2 137.5 66.6 -31.3 -29.3 51 55 A N E +IJ 76 127C 37 76,-2.6 76,-2.0 -2,-0.4 2,-0.3 -0.638 34.2 161.9 -79.2 140.7 68.8 -29.0 -27.2 52 56 A G - 0 0 3 23,-2.1 2,-0.4 -2,-0.3 71,-0.2 -0.954 17.5-168.8-158.9 143.7 72.0 -30.4 -25.8 53 57 A E S S- 0 0 57 69,-2.4 21,-0.0 -2,-0.3 -2,-0.0 -0.994 72.9 -10.4-134.3 128.1 75.2 -28.9 -24.3 54 58 A D S S+ 0 0 142 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.922 91.2 144.5 56.1 50.0 78.4 -30.7 -23.5 55 59 A L - 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0 0 8 203,-3.4 205,-0.4 -2,-0.6 3,-0.1 -0.631 17.1-170.1 -82.1 128.6 78.0 9.2 -8.4 629 633 A D > - 0 0 35 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.869 8.6-177.3-110.3 92.9 81.0 10.2 -6.2 630 634 A P H > S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 161,-0.3 0.816 78.1 53.7 -71.0 -27.0 81.4 7.0 -4.1 631 635 A I H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.926 111.3 44.9 -67.9 -45.7 84.3 8.5 -2.0 632 636 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.860 112.9 52.3 -63.4 -40.5 82.2 11.6 -0.9 633 637 A I H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.955 111.3 46.0 -61.6 -48.9 79.2 9.4 -0.3 634 638 A A H X S+ 0 0 31 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.925 116.3 44.7 -59.2 -49.4 81.2 7.0 2.0 635 639 A E H X S+ 0 0 104 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.881 113.2 50.4 -65.8 -37.9 82.8 9.9 3.9 636 640 A V H X S+ 0 0 5 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.883 107.8 53.8 -66.3 -38.6 79.5 11.8 4.3 637 641 A R H X S+ 0 0 70 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.947 112.8 44.3 -61.4 -45.0 77.8 8.6 5.6 638 642 A E H X S+ 0 0 56 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.909 112.9 49.8 -63.4 -45.0 80.5 8.3 8.2 639 643 A A H X S+ 0 0 33 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.887 110.9 50.3 -63.4 -39.8 80.5 12.1 9.1 640 644 A L H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.924 110.9 49.0 -62.7 -43.0 76.7 12.0 9.5 641 645 A T H X S+ 0 0 12 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.925 113.0 47.9 -60.3 -47.5 76.9 9.0 11.8 642 646 A R H X S+ 0 0 103 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.897 112.6 49.1 -60.0 -43.3 79.7 10.8 13.8 643 647 A T H X S+ 0 0 42 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.921 113.6 44.3 -65.7 -45.9 77.6 14.0 14.1 644 648 A L H X S+ 0 0 2 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.868 111.0 55.6 -66.0 -34.9 74.4 12.2 15.2 645 649 A A H < S+ 0 0 3 -4,-2.2 4,-0.3 -5,-0.2 -2,-0.2 0.886 112.8 42.3 -63.5 -41.2 76.5 10.1 17.6 646 650 A T H >< S+ 0 0 99 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.935 117.4 45.1 -68.8 -50.7 77.9 13.4 19.2 647 651 A E H 3< S+ 0 0 100 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.731 125.8 31.4 -65.2 -25.0 74.5 15.2 19.2 648 652 A L T 3X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.2 5,-0.3 0.183 78.7 126.0-121.0 16.3 72.5 12.2 20.6 649 653 A A H <> S+ 0 0 41 -3,-0.8 4,-1.7 -4,-0.3 -1,-0.1 0.786 77.4 41.2 -49.4 -44.8 75.2 10.5 22.8 650 654 A D H > S+ 0 0 136 2,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.893 116.7 47.6 -75.1 -42.8 73.1 10.3 26.0 651 655 A E H > S+ 0 0 35 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.896 111.4 52.3 -64.1 -40.8 69.9 9.4 24.4 652 656 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.908 110.9 46.7 -62.3 -42.8 71.6 6.7 22.3 653 657 A L H X S+ 0 0 58 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.885 111.2 51.8 -70.6 -35.5 73.2 5.2 25.4 654 658 A A H X S+ 0 0 54 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.932 114.0 42.9 -64.2 -44.4 69.9 5.2 27.4 655 659 A I H X S+ 0 0 31 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.894 111.0 55.4 -73.7 -38.0 68.0 3.5 24.6 656 660 A Y H < S+ 0 0 9 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.2 0.940 114.2 41.1 -52.5 -49.4 70.8 1.0 24.0 657 661 A N H >< S+ 0 0 89 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.884 110.5 55.7 -69.4 -40.5 70.6 0.0 27.8 658 662 A A H 3< S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.700 106.0 53.7 -66.0 -21.0 66.8 0.0 28.0 659 663 A N T 3< S+ 0 0 18 -4,-1.2 -1,-0.3 -3,-0.3 18,-0.2 0.298 76.4 131.7-101.9 7.3 66.6 -2.5 25.1 660 664 A Y < - 0 0 139 -3,-1.4 2,-0.4 17,-0.1 -3,-0.1 -0.294 36.7-169.0 -50.9 139.9 68.9 -5.0 26.7 661 665 A Q - 0 0 30 1,-0.1 -2,-0.1 13,-0.0 -3,-0.0 -0.955 17.7-168.2-139.1 118.1 67.4 -8.6 26.6 662 666 A S S S+ 0 0 74 -2,-0.4 2,-0.4 2,-0.0 -1,-0.1 0.897 76.8 65.0 -74.2 -39.3 69.0 -11.5 28.6 663 667 A E S S- 0 0 120 2,-0.0 2,-0.6 1,-0.0 41,-0.0 -0.672 79.4-140.2 -80.6 133.7 66.9 -14.1 26.8 664 668 A Y + 0 0 33 -2,-0.4 2,-0.4 40,-0.1 -388,-0.1 -0.867 29.4 170.2 -92.1 122.5 67.5 -14.6 23.1 665 669 A R - 0 0 100 -2,-0.6 2,-1.5 2,-0.1 -2,-0.0 -0.997 38.5-139.8-132.9 138.2 64.3 -15.3 21.1 666 670 A V + 0 0 39 -2,-0.4 2,-0.3 4,-0.1 -2,-0.0 -0.649 65.7 122.8 -89.9 75.9 63.5 -15.4 17.4 667 671 A E S > S- 0 0 109 -2,-1.5 4,-3.1 1,-0.0 3,-0.2 -0.982 72.5-115.8-143.8 146.5 60.3 -13.5 17.9 668 672 A H H > S+ 0 0 69 -2,-0.3 4,-1.3 1,-0.3 5,-0.1 0.706 111.9 46.9 -68.7 -27.7 59.2 -10.3 16.3 669 673 A E H > S+ 0 0 159 2,-0.2 4,-2.1 3,-0.1 -1,-0.3 0.885 116.2 46.0 -73.2 -41.4 59.0 -8.1 19.5 670 674 A D H > S+ 0 0 16 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.915 112.6 50.1 -66.2 -42.8 62.4 -9.4 20.6 671 675 A I H X S+ 0 0 12 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.894 109.3 52.4 -61.1 -42.3 63.9 -8.9 17.2 672 676 A A H X S+ 0 0 9 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.936 110.4 47.5 -62.1 -49.1 62.5 -5.3 17.0 673 677 A K H X S+ 0 0 74 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.886 114.4 46.4 -55.7 -42.6 64.1 -4.4 20.4 674 678 A R H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.832 109.6 53.5 -73.7 -34.9 67.4 -5.9 19.5 675 679 A T H X S+ 0 0 42 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.895 112.3 46.0 -64.3 -41.8 67.4 -4.2 16.0 676 680 A L H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 111.9 50.7 -62.2 -51.8 66.9 -0.8 17.8 677 681 A R H X S+ 0 0 27 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.896 113.9 44.4 -52.2 -47.5 69.6 -1.6 20.4 678 682 A N H X S+ 0 0 13 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.777 108.0 57.2 -74.7 -25.3 72.1 -2.5 17.6 679 683 A A H X S+ 0 0 1 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.914 109.3 47.6 -67.1 -39.5 71.1 0.6 15.6 680 684 A C H >X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-0.5 0.921 107.1 57.4 -61.9 -44.8 72.0 2.7 18.7 681 685 A L H 3X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.836 97.4 60.6 -55.3 -37.6 75.2 0.7 18.9 682 686 A R H 3< S+ 0 0 114 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.905 111.1 40.2 -57.5 -44.9 76.3 1.7 15.4 683 687 A F H X< S+ 0 0 6 -4,-1.0 3,-1.9 -3,-0.5 -2,-0.2 0.917 111.5 56.5 -68.1 -45.3 76.2 5.4 16.5 684 688 A L H >< S+ 0 0 19 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.786 96.0 65.5 -58.0 -31.5 77.8 4.7 19.9 685 689 A A T 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.719 100.4 52.5 -60.7 -26.4 80.8 3.0 18.1 686 690 A F T < S+ 0 0 20 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.160 93.6 95.8 -95.7 15.0 81.5 6.5 16.7 687 691 A G S < S- 0 0 29 -3,-1.8 2,-0.1 1,-0.3 -41,-0.1 0.059 95.9 -28.8 -80.9-160.0 81.5 8.2 20.2 688 692 A E S > S- 0 0 120 1,-0.1 4,-2.9 4,-0.1 -1,-0.3 -0.384 70.4-123.0 -57.4 131.5 84.5 8.9 22.4 689 693 A T H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.787 104.8 44.5 -53.8 -47.4 87.1 6.2 21.5 690 694 A H H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 117.0 46.7 -67.4 -43.9 87.7 4.6 24.8 691 695 A L H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.931 115.3 46.1 -57.7 -52.8 84.0 4.6 25.7 692 696 A A H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.897 111.6 51.9 -54.7 -48.0 83.1 3.1 22.2 693 697 A D H X S+ 0 0 31 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.887 111.4 47.0 -61.8 -40.5 85.9 0.5 22.4 694 698 A V H X S+ 0 0 74 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.941 114.2 46.3 -67.3 -50.0 84.7 -0.7 25.8 695 699 A L H X S+ 0 0 20 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.914 116.8 43.3 -57.6 -47.9 81.1 -0.9 24.9 696 700 A V H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.932 114.7 48.3 -69.9 -48.6 81.7 -2.7 21.5 697 701 A S H X S+ 0 0 30 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.895 112.1 50.8 -57.3 -44.0 84.3 -5.1 22.9 698 702 A K H X S+ 0 0 112 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.919 108.8 50.5 -62.5 -45.7 82.0 -6.0 25.8 699 703 A Q H X S+ 0 0 9 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.941 110.4 50.5 -58.2 -45.7 79.0 -6.7 23.5 700 704 A F H < S+ 0 0 28 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.927 116.5 40.5 -55.6 -48.2 81.1 -9.0 21.3 701 705 A H H < S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.827 120.5 41.4 -76.2 -31.6 82.4 -11.0 24.4 702 706 A E H < S+ 0 0 136 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.526 83.5 124.4 -94.0 -6.6 79.1 -11.1 26.3 703 707 A A < - 0 0 29 -4,-1.5 3,-0.0 -5,-0.2 -3,-0.0 -0.268 42.4-166.8 -55.2 132.4 76.8 -11.8 23.3 704 708 A N S S+ 0 0 88 -42,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.164 73.8 38.6-102.4 17.5 74.7 -14.9 23.7 705 709 A N S > S- 0 0 7 -428,-0.1 4,-1.9 1,-0.1 -428,-0.2 -0.978 83.8-113.1-158.5 157.1 73.8 -14.9 20.0 706 710 A M H > S+ 0 0 4 -430,-2.7 4,-2.8 -427,-0.5 5,-0.3 0.807 109.5 64.6 -66.4 -31.6 75.3 -14.2 16.6 707 711 A T H > S+ 0 0 19 -428,-0.5 4,-2.2 -431,-0.3 -1,-0.2 0.969 110.5 36.8 -56.3 -51.5 73.1 -11.1 16.0 708 712 A D H > S+ 0 0 17 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.876 117.0 51.3 -71.4 -38.3 74.7 -9.2 18.9 709 713 A A H X S+ 0 0 16 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.902 113.8 45.0 -64.9 -41.6 78.2 -10.6 18.4 710 714 A L H X S+ 0 0 33 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.885 108.3 55.3 -72.7 -37.6 78.2 -9.6 14.7 711 715 A A H X S+ 0 0 25 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.907 112.0 45.9 -59.0 -44.4 76.7 -6.1 15.3 712 716 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.929 114.3 46.6 -57.6 -53.0 79.6 -5.5 17.8 713 717 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.912 112.0 51.3 -59.3 -43.3 82.2 -6.9 15.3 714 718 A S H X S+ 0 0 49 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.859 110.4 48.8 -61.0 -40.1 80.7 -4.8 12.5 715 719 A A H X S+ 0 0 7 -4,-1.7 4,-2.4 2,-0.2 6,-0.2 0.855 108.0 54.0 -69.6 -37.2 80.9 -1.6 14.6 716 720 A A H <>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-0.2 0.926 114.5 42.0 -61.6 -43.6 84.5 -2.3 15.5 717 721 A V H ><5S+ 0 0 5 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.939 114.6 50.3 -66.6 -46.9 85.3 -2.6 11.8 718 722 A A H 3<5S+ 0 0 38 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.890 119.5 35.7 -61.3 -44.1 83.1 0.4 10.7 719 723 A A T 3<5S- 0 0 9 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.323 104.2-128.3 -93.5 5.4 84.6 2.8 13.3 720 724 A Q T < 5 - 0 0 91 -3,-1.0 -3,-0.2 -4,-0.2 -4,-0.1 0.912 41.8-172.9 49.5 48.0 88.1 1.3 13.0 721 725 A L > < - 0 0 12 -5,-2.2 3,-1.9 -6,-0.2 4,-0.3 -0.313 36.4-109.4 -75.8 157.5 88.2 0.9 16.8 722 726 A P T > S+ 0 0 91 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.866 117.5 55.6 -52.4 -38.3 91.3 -0.3 18.8 723 727 A C T 3> S+ 0 0 14 1,-0.2 4,-2.5 2,-0.1 3,-0.4 0.568 81.5 98.9 -72.0 -7.8 89.8 -3.7 19.6 724 728 A R H <> S+ 0 0 52 -3,-1.9 4,-2.4 1,-0.2 5,-0.2 0.868 79.8 44.3 -51.7 -54.4 89.1 -4.4 15.9 725 729 A D H <> S+ 0 0 106 -3,-0.5 4,-1.8 -4,-0.3 -1,-0.2 0.856 114.7 49.8 -64.4 -37.1 92.1 -6.7 15.0 726 730 A A H > S+ 0 0 50 -3,-0.4 4,-2.5 -4,-0.3 -1,-0.2 0.928 112.9 45.8 -65.2 -48.8 91.7 -8.8 18.2 727 731 A L H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.892 112.8 50.6 -62.3 -39.9 87.9 -9.3 17.7 728 732 A M H X S+ 0 0 10 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.877 112.0 47.2 -67.4 -39.4 88.4 -10.2 14.0 729 733 A Q H X S+ 0 0 96 -4,-1.8 4,-2.9 -5,-0.2 -2,-0.2 0.904 109.5 53.8 -66.4 -43.2 91.2 -12.7 14.9 730 734 A E H X S+ 0 0 79 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.876 110.1 47.3 -56.6 -41.5 89.0 -14.2 17.7 731 735 A Y H X S+ 0 0 4 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.945 112.1 49.6 -69.0 -47.8 86.1 -14.8 15.2 732 736 A D H X S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.941 111.8 48.3 -51.5 -52.3 88.5 -16.4 12.7 733 737 A D H < S+ 0 0 92 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 118.9 40.2 -60.5 -37.1 90.0 -18.7 15.3 734 738 A K H < S+ 0 0 130 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.868 129.1 25.5 -76.3 -37.7 86.5 -19.8 16.5 735 739 A W H >< S+ 0 0 19 -4,-3.0 3,-2.7 -5,-0.2 7,-0.3 0.438 77.5 110.1-116.2 -2.0 84.8 -20.0 13.2 736 740 A H T 3< S+ 0 0 60 -4,-2.2 -1,-0.1 1,-0.3 -3,-0.1 0.701 79.7 58.8 -53.7 -28.4 87.2 -20.7 10.3 737 741 A Q T 3 S+ 0 0 122 -3,-0.2 2,-0.7 -5,-0.1 -1,-0.3 0.536 94.9 74.9 -75.5 -8.5 85.9 -24.3 9.8 738 742 A N <> - 0 0 19 -3,-2.7 4,-2.5 1,-0.2 3,-0.3 -0.879 61.8-169.6-115.0 102.2 82.4 -22.9 9.1 739 743 A G H > S+ 0 0 20 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.889 85.7 51.5 -60.0 -45.4 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 0.865 114.0 44.1 -60.8 -38.1 78.6 -19.8 6.2 741 745 A V H >> S+ 0 0 1 -3,-0.3 4,-0.8 -6,-0.2 3,-0.7 0.885 111.8 53.7 -74.3 -37.7 79.7 -18.1 9.4 742 746 A M H 3X S+ 0 0 0 -4,-2.5 4,-2.8 -7,-0.3 3,-0.4 0.814 94.8 69.7 -65.5 -28.6 83.0 -17.0 7.7 743 747 A D H 3X S+ 0 0 15 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.876 95.6 55.0 -53.8 -39.0 81.0 -15.4 4.9 744 748 A K H < S+ 0 0 34 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.946 114.0 47.4 -60.8 -46.3 86.8 -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 0.761 116.5 41.6 -65.6 -32.0 85.5 -6.5 2.0 751 755 A T T 3< S+ 0 0 45 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.146 84.5 134.4-103.3 14.6 83.5 -3.5 3.2 752 756 A S < - 0 0 8 -3,-1.1 5,-0.1 -4,-0.2 -34,-0.1 -0.402 54.8-142.3 -67.6 139.3 86.0 -2.2 5.7 753 757 A P + 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 0.523 61.3 126.5 -75.2 -4.2 86.7 1.6 5.6 754 758 A A > - 0 0 7 1,-0.1 3,-1.5 -37,-0.1 -37,-0.0 -0.179 69.9-125.1 -54.4 145.2 90.5 0.9 6.3 755 759 A A T 3 S+ 0 0 111 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.817 109.8 52.3 -61.2 -31.9 92.9 2.4 3.8 756 760 A N T 3> S+ 0 0 77 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.147 71.5 123.2 -93.1 20.9 94.5 -1.0 3.1 757 761 A V H <> S+ 0 0 10 -3,-1.5 4,-3.0 1,-0.2 -1,-0.2 0.867 72.4 48.3 -53.7 -45.9 91.2 -2.8 2.3 758 762 A L H > S+ 0 0 28 -3,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.922 111.1 50.7 -63.8 -44.4 92.1 -4.1 -1.2 759 763 A E H > S+ 0 0 145 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 112.3 47.8 -54.6 -46.1 95.5 -5.4 -0.0 760 764 A T H X S+ 0 0 40 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.950 111.8 50.0 -61.1 -47.5 93.6 -7.2 2.8 761 765 A V H < S+ 0 0 0 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.909 110.4 49.0 -58.4 -47.3 91.0 -8.6 0.3 762 766 A R H >< S+ 0 0 84 -4,-3.0 3,-1.2 1,-0.2 4,-0.2 0.894 109.6 52.1 -57.9 -44.4 93.8 -9.9 -2.1 763 767 A G H >< S+ 0 0 46 -4,-2.0 3,-1.9 1,-0.2 -1,-0.2 0.875 101.1 63.2 -59.4 -35.9 95.6 -11.6 0.8 764 768 A L G >< S+ 0 0 17 -4,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.587 79.5 80.5 -71.0 -10.3 92.3 -13.3 1.8 765 769 A L G < S+ 0 0 34 -3,-1.2 -1,-0.3 -4,-0.4 7,-0.2 0.726 98.4 45.8 -60.0 -21.0 92.3 -15.2 -1.5 766 770 A Q G < S+ 0 0 166 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.265 85.6 127.3-101.1 4.8 94.7 -17.5 0.3 767 771 A H X - 0 0 26 -3,-1.4 3,-1.9 1,-0.1 -3,-0.0 -0.425 68.8-123.6 -68.2 141.9 92.7 -17.7 3.5 768 772 A R T 3 S+ 0 0 144 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.775 112.4 48.7 -52.4 -31.2 92.0 -21.2 4.7 769 773 A S T 3 S+ 0 0 14 -5,-0.1 2,-0.4 -31,-0.0 -1,-0.3 0.500 98.6 86.5 -91.8 -4.1 88.2 -20.5 4.7 770 774 A F < + 0 0 17 -3,-1.9 2,-0.3 -6,-0.1 3,-0.0 -0.779 47.8 166.6 -96.3 141.3 88.2 -19.0 1.2 771 775 A T > - 0 0 59 -2,-0.4 3,-1.3 3,-0.2 7,-0.3 -0.961 36.7-146.7-150.7 137.9 87.9 -20.9 -2.2 772 776 A M T 3 S+ 0 0 27 -2,-0.3 -1,-0.1 1,-0.2 6,-0.0 0.624 100.0 70.1 -66.3 -17.1 87.2 -19.9 -5.8 773 777 A S T 3 S+ 0 0 53 1,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.580 90.2 71.6 -74.1 -10.5 85.4 -23.2 -6.2 774 778 A N <> - 0 0 3 -3,-1.3 4,-2.3 1,-0.1 3,-0.4 -0.919 65.7-157.6-117.0 111.9 82.5 -21.9 -3.9 775 779 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.817 94.9 55.9 -55.7 -35.3 80.1 -19.3 -5.1 776 780 A N H > S+ 0 0 4 -524,-0.3 4,-2.2 2,-0.2 5,-0.1 0.921 109.7 45.1 -63.1 -46.4 79.2 -18.2 -1.5 777 781 A R H > S+ 0 0 23 -3,-0.4 4,-1.6 2,-0.2 5,-0.4 0.936 113.8 51.0 -59.4 -46.4 82.9 -17.5 -0.6 778 782 A I H X>S+ 0 0 0 -4,-2.3 5,-1.9 -7,-0.3 4,-1.3 0.922 113.0 44.5 -57.4 -48.1 83.3 -15.7 -4.0 779 783 A R H <>S+ 0 0 58 -4,-2.6 5,-1.1 1,-0.2 -1,-0.2 0.858 112.3 52.6 -66.9 -35.8 80.2 -13.5 -3.3 780 784 A S H <5S+ 0 0 10 -4,-2.2 -30,-0.3 3,-0.2 -1,-0.2 0.743 125.6 20.8 -69.5 -30.4 81.2 -12.8 0.3 781 785 A L H X5S+ 0 0 0 -4,-1.6 4,-1.3 -3,-0.3 -3,-0.2 0.826 136.4 25.5-105.0 -62.3 84.7 -11.6 -0.4 782 786 A I H X5S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.4 5,-0.2 0.944 124.7 46.7 -74.6 -49.3 85.0 -10.5 -4.1 783 787 A G H >X + 0 0 18 -4,-1.0 4,-3.0 -5,-0.4 3,-1.0 -0.424 59.7 155.9-121.5 61.4 82.4 -1.2 -1.1 790 794 A P H 3> + 0 0 11 0, 0.0 4,-2.7 0, 0.0 -159,-0.1 0.849 70.0 63.1 -56.7 -31.4 82.1 1.3 -4.1 791 795 A A H 34 S+ 0 0 24 -161,-0.3 -160,-0.1 1,-0.2 -2,-0.1 0.899 115.0 31.4 -59.2 -40.3 84.5 3.8 -2.4 792 796 A A H X4 S+ 0 0 17 -3,-1.0 3,-1.6 -7,-0.2 8,-0.3 0.846 117.0 55.5 -86.5 -37.9 87.3 1.2 -2.6 793 797 A F H 3< S+ 0 0 0 -4,-3.0 8,-0.3 -8,-0.4 7,-0.3 0.872 112.6 45.6 -56.4 -37.6 86.1 -0.5 -5.8 794 798 A H T 3< S+ 0 0 2 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 -0.049 80.8 158.3-100.3 28.7 86.2 3.0 -7.4 795 799 A A X - 0 0 23 -3,-1.6 3,-2.0 1,-0.1 5,-0.3 -0.256 51.9-119.0 -47.2 138.3 89.7 3.9 -5.9 796 800 A E T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.794 110.9 61.4 -60.0 -31.3 91.1 6.7 -8.1 797 801 A D T 3 S- 0 0 114 1,-0.1 -1,-0.3 42,-0.0 -2,-0.1 0.490 109.1-122.4 -72.5 -4.0 94.1 4.6 -9.2 798 802 A G S <> S+ 0 0 4 -3,-2.0 4,-1.8 1,-0.1 3,-0.2 0.582 70.8 134.4 73.7 10.6 91.8 2.1 -10.7 799 803 A S H > + 0 0 30 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.770 67.4 58.4 -61.1 -27.9 93.1 -0.8 -8.6 800 804 A G H > S+ 0 0 0 -5,-0.3 4,-2.3 -8,-0.3 -1,-0.2 0.930 106.6 46.3 -69.5 -43.4 89.6 -2.0 -7.9 801 805 A Y H > S+ 0 0 3 -8,-0.3 4,-2.5 -6,-0.2 -2,-0.2 0.895 112.0 51.2 -65.3 -40.9 88.8 -2.5 -11.5 802 806 A L H X S+ 0 0 96 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.884 109.5 50.6 -64.6 -40.7 92.0 -4.3 -12.1 803 807 A F H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.940 110.9 48.1 -60.6 -49.0 91.3 -6.6 -9.2 804 808 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.904 108.5 55.2 -60.4 -40.7 87.8 -7.4 -10.5 805 809 A V H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.929 107.4 49.3 -59.6 -44.6 89.3 -8.1 -14.0 806 810 A E H X S+ 0 0 90 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.913 112.9 47.6 -58.0 -43.6 91.7 -10.7 -12.6 807 811 A M H X S+ 0 0 18 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.921 113.0 47.6 -65.9 -41.2 88.9 -12.4 -10.7 808 812 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.787 102.6 62.6 -72.6 -27.2 86.5 -12.4 -13.8 809 813 A T H X S+ 0 0 56 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.2 0.908 111.8 39.3 -61.6 -41.3 89.3 -13.8 -16.0 810 814 A D H >X S+ 0 0 58 -4,-1.3 4,-2.0 -3,-0.2 3,-1.2 0.974 119.5 44.8 -66.0 -56.0 89.3 -16.9 -13.7 811 815 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 8,-0.4 0.750 98.4 69.9 -69.8 -28.3 85.5 -17.1 -13.2 812 816 A N H 3< S+ 0 0 4 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.1 0.885 113.6 31.2 -52.6 -39.5 84.6 -16.5 -16.9 813 817 A S H << S+ 0 0 87 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.853 126.3 42.9 -84.8 -41.4 86.0 -20.0 -17.5 814 818 A R H < S- 0 0 77 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.940 134.9 -6.1 -74.7 -49.6 85.2 -21.6 -14.2 815 819 A N X - 0 0 5 -4,-2.3 4,-2.1 -5,-0.1 3,-0.5 -0.706 58.1-174.4-155.9 83.3 81.6 -20.5 -13.4 816 820 A P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.808 83.2 60.8 -57.3 -32.7 80.1 -17.9 -15.9 817 821 A Q H > S+ 0 0 24 -716,-0.3 4,-1.4 2,-0.2 5,-0.1 0.915 109.2 41.2 -62.5 -43.9 76.9 -17.4 -13.8 818 822 A V H > S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.892 112.9 56.2 -68.9 -38.5 78.8 -16.2 -10.8 819 823 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 -8,-0.4 -2,-0.2 0.916 106.3 50.7 -55.1 -45.1 81.2 -14.1 -13.1 820 824 A S H X S+ 0 0 3 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.831 108.8 50.6 -69.3 -33.4 78.1 -12.4 -14.6 821 825 A R H >< S+ 0 0 119 -4,-1.4 3,-0.7 1,-0.2 -1,-0.2 0.908 112.7 47.9 -62.1 -45.3 76.8 -11.5 -11.1 822 826 A L H 3< S+ 0 0 8 -4,-2.1 4,-0.2 1,-0.2 -2,-0.2 0.707 101.5 62.3 -73.2 -22.0 80.1 -10.1 -10.2 823 827 A I H >X S+ 0 0 0 -4,-1.5 3,-2.0 1,-0.2 4,-1.1 0.687 77.6 94.4 -75.7 -18.0 80.6 -7.9 -13.3 824 828 A E G X< S+ 0 0 25 -3,-0.7 3,-0.6 -4,-0.5 4,-0.4 0.826 77.5 55.0 -48.9 -45.2 77.6 -5.9 -12.5 825 829 A P G >4 S+ 0 0 25 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.816 105.9 55.4 -58.3 -27.0 79.4 -3.0 -10.7 826 830 A L G X4 S+ 0 0 0 -3,-2.0 3,-1.0 -4,-0.2 -2,-0.2 0.805 98.5 59.3 -76.4 -29.4 81.6 -2.5 -13.8 827 831 A I G << S+ 0 0 0 -4,-1.1 3,-0.4 -3,-0.6 -1,-0.2 0.540 87.6 75.9 -80.3 -2.0 78.8 -2.0 -16.2 828 832 A R G X + 0 0 50 -3,-0.6 3,-2.4 -4,-0.4 -1,-0.3 0.248 59.6 123.7 -86.7 14.5 77.6 1.0 -14.2 829 833 A L G X + 0 0 0 -3,-1.0 3,-2.0 1,-0.3 -1,-0.2 0.752 59.5 64.6 -48.1 -36.9 80.4 3.2 -15.7 830 834 A K G 3 S+ 0 0 107 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.591 93.1 64.7 -69.7 -6.5 78.2 5.9 -17.2 831 835 A R G < S+ 0 0 34 -3,-2.4 -203,-3.4 -204,-0.1 -1,-0.3 0.504 98.1 70.3 -86.1 -7.9 77.1 6.9 -13.6 832 836 A Y S < S- 0 0 16 -3,-2.0 -203,-0.1 -205,-0.2 5,-0.0 -0.567 93.7 -79.1-112.9 171.5 80.7 7.9 -12.8 833 837 A D > - 0 0 53 -205,-0.4 4,-2.9 -2,-0.2 3,-0.4 -0.201 48.2-100.4 -69.6 161.1 83.1 10.8 -13.7 834 838 A A H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.828 120.6 51.3 -49.6 -46.0 85.0 10.8 -17.0 835 839 A K H > S+ 0 0 125 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.882 113.0 45.2 -64.7 -41.2 88.3 9.6 -15.6 836 840 A R H > S+ 0 0 12 -3,-0.4 4,-2.3 2,-0.2 3,-0.3 0.933 109.8 56.8 -64.9 -45.7 86.6 6.6 -13.8 837 841 A Q H X S+ 0 0 35 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.859 105.0 50.8 -53.9 -41.3 84.6 5.8 -17.0 838 842 A E H X S+ 0 0 115 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.860 110.8 47.0 -73.3 -32.0 87.8 5.5 -19.1 839 843 A K H X S+ 0 0 76 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.2 0.876 114.6 48.3 -68.9 -36.4 89.4 3.1 -16.7 840 844 A M H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.903 110.9 49.8 -71.7 -42.1 86.2 1.0 -16.5 841 845 A R H X S+ 0 0 55 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.936 109.9 52.1 -56.3 -50.0 85.9 1.0 -20.3 842 846 A A H X S+ 0 0 59 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.906 110.5 48.0 -53.8 -44.4 89.5 -0.2 -20.4 843 847 A A H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.937 112.6 48.3 -62.8 -44.4 88.7 -3.0 -17.9 844 848 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.888 109.4 52.5 -65.8 -36.6 85.6 -4.0 -19.9 845 849 A E H X S+ 0 0 95 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.885 107.1 53.5 -65.1 -39.2 87.6 -4.0 -23.2 846 850 A Q H >< S+ 0 0 112 -4,-2.0 3,-0.6 -5,-0.2 -2,-0.2 0.962 111.9 44.3 -57.8 -49.4 90.2 -6.3 -21.6 847 851 A L H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.847 106.5 60.6 -63.8 -35.7 87.4 -8.7 -20.6 848 852 A K H 3< S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.832 102.3 53.4 -63.9 -29.9 85.8 -8.5 -24.1 849 853 A G T << S+ 0 0 65 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.369 80.6 129.4 -85.6 6.0 89.0 -9.8 -25.6 850 854 A L X - 0 0 39 -3,-1.6 3,-0.8 -4,-0.1 2,-0.2 -0.351 65.9-115.4 -62.3 136.4 89.1 -13.0 -23.4 851 855 A E T 3 S+ 0 0 166 1,-0.2 -1,-0.1 2,-0.0 -2,-0.0 -0.557 102.1 15.1 -63.5 140.4 89.6 -16.2 -25.2 852 856 A N T 3 S- 0 0 128 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.915 86.2-168.5 51.7 51.6 86.4 -18.3 -24.7 853 857 A L < - 0 0 40 -3,-0.8 -1,-0.2 -5,-0.1 -40,-0.1 -0.556 21.3-121.6 -67.0 124.7 84.3 -15.4 -23.5 854 858 A S > - 0 0 15 -2,-0.4 4,-2.7 1,-0.1 5,-0.1 -0.339 10.6-123.6 -67.7 148.4 81.1 -16.8 -22.0 855 859 A G H > S+ 0 0 20 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.825 111.6 63.0 -53.7 -35.7 77.7 -15.6 -23.5 856 860 A D H > S+ 0 0 14 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.945 112.3 33.1 -60.7 -50.7 76.8 -14.5 -19.9 857 861 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.886 113.0 62.6 -71.3 -39.2 79.6 -11.9 -19.8 858 862 A Y H X S+ 0 0 82 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.896 102.0 50.9 -50.1 -48.8 79.4 -11.1 -23.5 859 863 A E H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.916 115.4 40.4 -59.8 -47.1 75.9 -9.8 -23.2 860 864 A K H X S+ 0 0 13 -4,-1.0 4,-2.5 -5,-0.2 -2,-0.2 0.898 115.0 51.1 -70.3 -41.3 76.7 -7.5 -20.3 861 865 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.927 110.0 48.8 -65.1 -45.0 80.0 -6.3 -21.7 862 866 A T H X S+ 0 0 43 -4,-2.5 4,-0.8 -5,-0.3 -1,-0.2 0.928 113.7 46.9 -65.1 -43.5 78.6 -5.4 -25.2 863 867 A K H >< S+ 0 0 57 -4,-1.7 3,-0.6 -5,-0.3 -1,-0.2 0.917 113.2 50.0 -57.8 -44.6 75.7 -3.4 -23.6 864 868 A A H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.843 113.7 44.3 -64.9 -34.8 78.1 -1.7 -21.2 865 869 A L H 3< 0 0 32 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.510 360.0 360.0 -90.8 -5.4 80.5 -0.7 -24.0 866 870 A A << 0 0 122 -4,-0.8 -3,-0.0 -3,-0.6 -4,-0.0 -0.254 360.0 360.0 -66.3 360.0 77.7 0.5 -26.4