==== 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 19-OCT-07 3B2X . COMPND 2 MOLECULE: AMINOPEPTIDASE N; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.ADDLAGATTA,L.GAY,B.W.MATTHEWS . 867 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 627 72.3 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 . 59 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 1 0 1 2 0 2 1 4 1 2 1 2 0 3 1 1 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 1 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 82 0, 0.0 2,-0.4 0, 0.0 366,-0.1 0.000 360.0 360.0 360.0 133.3 76.1 -15.4 -28.8 2 6 A Q - 0 0 161 364,-0.1 2,-0.2 1,-0.0 363,-0.0 -0.735 360.0-127.4 -96.6 136.4 72.7 -14.8 -30.5 3 7 A A - 0 0 24 -2,-0.4 2,-0.3 361,-0.0 363,-0.2 -0.535 17.9-148.2 -76.1 143.4 69.9 -12.8 -29.0 4 8 A K E -A 365 0A 140 361,-2.9 361,-2.5 -2,-0.2 2,-0.4 -0.892 11.8-144.8-111.0 148.4 66.4 -14.3 -28.7 5 9 A Y E > -A 364 0A 86 -2,-0.3 3,-1.8 359,-0.2 359,-0.2 -0.924 16.5-137.8-123.3 136.7 63.3 -12.2 -28.9 6 10 A R G > S+ 0 0 69 357,-2.0 3,-1.8 -2,-0.4 -1,-0.1 0.863 104.9 60.7 -54.8 -40.2 59.9 -12.4 -27.2 7 11 A H G 3 S+ 0 0 131 356,-0.4 -1,-0.3 1,-0.3 357,-0.1 0.632 94.6 65.5 -68.1 -11.4 58.1 -11.6 -30.5 8 12 A D G < S+ 0 0 88 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.416 70.2 132.4 -89.0 -0.4 59.6 -14.8 -32.1 9 13 A Y < + 0 0 55 -3,-1.8 2,-0.3 -4,-0.2 299,-0.0 -0.301 28.7 171.1 -54.0 130.9 57.8 -17.2 -29.8 10 14 A R - 0 0 165 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.992 40.0 -98.8-139.8 143.9 56.1 -20.0 -31.7 11 15 A A - 0 0 73 -2,-0.3 2,-0.1 1,-0.1 30,-0.0 -0.220 54.6 -94.7 -55.3 146.9 54.4 -23.2 -30.4 12 16 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 -0.369 17.7-136.1 -70.6 145.6 56.8 -26.2 -30.6 13 17 A D S S+ 0 0 80 28,-0.1 28,-3.3 34,-0.1 29,-2.7 0.771 92.3 31.6 -65.2 -28.6 56.7 -28.5 -33.6 14 18 A Y E -B 40 0B 4 26,-0.3 2,-0.3 27,-0.2 26,-0.2 -0.973 68.7-156.8-131.4 144.9 56.9 -31.5 -31.3 15 19 A Q E -B 39 0B 41 24,-2.8 24,-2.6 -2,-0.4 2,-0.4 -0.860 8.5-147.7-109.5 154.3 55.6 -32.2 -27.8 16 20 A I E +B 38 0B 1 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.992 14.9 179.0-116.4 132.0 56.9 -34.8 -25.3 17 21 A T E + 0 0 47 20,-2.7 119,-2.4 -2,-0.4 2,-0.3 0.714 66.7 16.4-102.6 -30.2 54.2 -36.2 -23.0 18 22 A D E -Bc 37 136B 49 19,-0.8 19,-2.9 117,-0.3 2,-0.4 -0.995 59.5-169.1-148.1 138.2 56.2 -38.7 -20.8 19 23 A I E -Bc 36 137B 3 117,-2.6 119,-1.9 -2,-0.3 2,-0.6 -0.997 6.3-162.4-135.0 133.1 59.9 -39.2 -20.1 20 24 A D E -Bc 35 138B 58 15,-2.7 15,-2.8 -2,-0.4 2,-0.4 -0.968 17.4-166.9-111.2 116.2 61.6 -42.1 -18.4 21 25 A L E -Bc 34 139B 0 117,-3.0 119,-3.0 -2,-0.6 2,-0.4 -0.847 11.3-171.6-105.6 142.5 65.1 -41.3 -17.1 22 26 A T E -Bc 33 140B 31 11,-2.4 11,-2.7 -2,-0.4 2,-0.5 -0.998 5.5-165.7-127.0 129.5 67.8 -43.7 -15.9 23 27 A F E -Bc 32 141B 0 117,-2.6 119,-3.0 -2,-0.4 2,-1.0 -0.969 12.3-164.1-112.2 120.5 71.0 -42.3 -14.4 24 28 A D E -Bc 31 142B 61 7,-3.0 7,-2.0 -2,-0.5 2,-0.2 -0.884 36.7-145.4 -94.7 95.8 73.9 -44.7 -13.9 25 29 A L + 0 0 8 117,-2.9 119,-0.3 -2,-1.0 2,-0.3 -0.485 38.8 142.0 -80.8 135.6 75.6 -42.2 -11.5 26 30 A D - 0 0 74 -2,-0.2 71,-0.2 117,-0.1 -2,-0.1 -0.910 48.9-128.1-162.2 140.1 79.3 -41.6 -11.1 27 31 A A S S+ 0 0 11 -2,-0.3 70,-3.2 1,-0.2 71,-0.3 0.857 110.5 36.4 -61.1 -36.4 81.1 -38.3 -10.4 28 32 A Q S S+ 0 0 130 1,-0.3 2,-0.3 68,-0.2 -1,-0.2 0.871 133.8 13.2 -83.2 -41.6 83.5 -38.8 -13.3 29 33 A K - 0 0 115 66,-0.1 2,-0.4 68,-0.0 -1,-0.3 -0.845 64.1-176.9-145.9 104.6 81.1 -40.5 -15.9 30 34 A T E - D 0 94B 0 64,-2.6 64,-2.2 -2,-0.3 2,-0.6 -0.859 15.9-148.6 -99.6 132.1 77.4 -40.6 -15.5 31 35 A V E -BD 24 93B 36 -7,-2.0 -7,-3.0 -2,-0.4 2,-0.5 -0.910 12.4-162.8-104.7 123.5 75.4 -42.4 -18.2 32 36 A V E -BD 23 92B 0 60,-3.1 60,-2.3 -2,-0.6 2,-0.5 -0.913 7.9-170.9-109.9 128.7 71.9 -41.1 -18.9 33 37 A T E -BD 22 91B 31 -11,-2.7 -11,-2.4 -2,-0.5 2,-0.5 -0.987 9.2-174.4-115.6 124.4 69.2 -43.1 -20.7 34 38 A A E -BD 21 90B 3 56,-2.9 56,-2.4 -2,-0.5 2,-0.6 -0.973 9.6-171.4-127.5 119.5 66.2 -41.0 -21.6 35 39 A V E -BD 20 89B 34 -15,-2.8 -15,-2.7 -2,-0.5 2,-0.4 -0.939 15.6-175.7-113.3 109.9 63.0 -42.6 -23.1 36 40 A S E -BD 19 88B 2 52,-3.1 52,-3.1 -2,-0.6 2,-0.7 -0.882 24.2-141.3-113.4 137.3 60.6 -40.0 -24.3 37 41 A Q E -BD 18 87B 72 -19,-2.9 -20,-2.7 -2,-0.4 -19,-0.8 -0.877 33.7-170.1 -94.7 117.0 57.1 -40.3 -25.7 38 42 A A E -BD 16 86B 2 48,-3.0 48,-1.9 -2,-0.7 2,-0.4 -0.787 18.6-166.2-116.3 153.8 56.8 -37.7 -28.5 39 43 A V E -BD 15 85B 14 -24,-2.6 -24,-2.8 -2,-0.3 2,-0.4 -0.997 19.7-132.8-137.4 127.7 54.0 -36.3 -30.6 40 44 A R E +B 14 0B 28 44,-3.3 -26,-0.3 -2,-0.4 -27,-0.1 -0.690 29.4 164.9 -83.1 132.0 54.4 -34.1 -33.7 41 45 A H + 0 0 123 -28,-3.3 -27,-0.2 -2,-0.4 -1,-0.2 0.592 59.7 66.3-111.4 -24.5 52.2 -31.0 -33.9 42 46 A G S S- 0 0 27 -29,-2.7 2,-0.0 1,-0.2 -29,-0.0 0.101 102.6 -39.9 -84.9-162.2 54.0 -29.2 -36.7 43 47 A A > - 0 0 55 1,-0.1 3,-2.6 2,-0.1 -1,-0.2 -0.327 53.9-119.1 -65.2 143.2 54.5 -30.0 -40.4 44 48 A S T 3 S+ 0 0 94 1,-0.3 38,-0.2 -3,-0.1 -1,-0.1 0.753 115.0 50.7 -56.1 -26.2 55.1 -33.6 -41.3 45 49 A D T 3 S+ 0 0 140 36,-0.1 -1,-0.3 35,-0.1 36,-0.1 0.289 83.8 114.0 -95.0 8.0 58.5 -32.6 -42.8 46 50 A A < - 0 0 12 -3,-2.6 36,-0.3 -33,-0.1 2,-0.1 -0.657 61.1-137.0 -80.4 130.6 59.7 -30.7 -39.7 47 51 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 33,-0.2 -0.452 20.9-106.4 -79.1 166.0 62.6 -32.2 -37.9 48 52 A L E -I 79 0C 1 31,-3.0 31,-2.6 -2,-0.1 2,-0.8 -0.788 30.6-158.4 -87.9 125.9 62.9 -32.6 -34.1 49 53 A R E -I 78 0C 143 -2,-0.5 2,-0.4 29,-0.2 29,-0.2 -0.864 11.5-171.7-111.3 98.9 65.4 -30.0 -32.7 50 54 A L E -I 77 0C 0 27,-2.8 27,-2.2 -2,-0.8 2,-0.3 -0.719 18.1-130.7 -91.4 138.2 66.6 -31.1 -29.3 51 55 A N E +IJ 76 127C 38 76,-3.0 76,-2.2 -2,-0.4 2,-0.3 -0.651 35.4 160.4 -83.9 142.6 68.8 -28.9 -27.2 52 56 A G - 0 0 4 23,-1.8 2,-0.4 -2,-0.3 71,-0.2 -0.937 18.9-167.9-161.7 142.1 72.0 -30.3 -25.7 53 57 A E S S- 0 0 55 69,-2.6 21,-0.0 -2,-0.3 -2,-0.0 -0.998 72.5 -9.9-135.3 129.5 75.2 -28.9 -24.3 54 58 A D S S+ 0 0 140 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.893 89.8 146.9 52.6 48.1 78.4 -30.7 -23.4 55 59 A L - 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0 0 8 203,-3.2 205,-0.4 -2,-0.6 3,-0.1 -0.669 15.9-169.0 -85.0 126.0 77.9 9.3 -8.3 629 633 A D > - 0 0 34 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.888 9.3-175.5-106.8 94.8 80.8 10.4 -6.2 630 634 A P H > S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 161,-0.3 0.783 79.4 50.6 -69.7 -27.4 81.3 7.2 -4.1 631 635 A I H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 111.5 47.3 -73.1 -47.7 84.1 8.6 -1.9 632 636 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.923 113.2 50.5 -55.3 -45.5 82.0 11.7 -1.0 633 637 A I H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.937 111.9 46.0 -60.3 -47.1 79.0 9.5 -0.3 634 638 A A H X S+ 0 0 30 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.926 116.0 45.0 -62.2 -45.6 81.0 7.1 2.0 635 639 A E H X S+ 0 0 101 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.870 112.8 50.3 -71.7 -34.2 82.7 10.0 3.9 636 640 A V H X S+ 0 0 6 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.888 108.3 53.7 -68.7 -38.8 79.4 11.9 4.3 637 641 A R H X S+ 0 0 64 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.938 112.7 44.1 -60.4 -44.3 77.7 8.8 5.6 638 642 A E H X S+ 0 0 55 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.926 114.0 49.3 -64.2 -45.5 80.4 8.5 8.2 639 643 A A H X S+ 0 0 31 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.885 110.9 49.9 -63.4 -40.0 80.4 12.2 9.0 640 644 A L H X S+ 0 0 6 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.913 111.1 50.0 -63.5 -42.7 76.6 12.2 9.4 641 645 A T H X S+ 0 0 8 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.924 112.5 46.8 -60.3 -46.3 76.9 9.2 11.7 642 646 A R H X S+ 0 0 85 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.884 111.9 50.5 -64.9 -40.6 79.5 10.9 13.8 643 647 A T H X S+ 0 0 44 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.931 113.6 44.0 -64.0 -45.7 77.6 14.1 14.0 644 648 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.887 110.9 56.1 -66.3 -36.7 74.4 12.4 15.2 645 649 A A H < S+ 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.891 112.7 42.1 -60.5 -40.2 76.5 10.2 17.6 646 650 A T H >< S+ 0 0 94 -4,-2.0 3,-0.9 2,-0.2 4,-0.2 0.939 117.4 44.3 -72.7 -48.3 77.8 13.4 19.2 647 651 A E H 3< S+ 0 0 101 -4,-2.7 -2,-0.2 1,-0.2 3,-0.2 0.812 125.1 33.8 -67.5 -31.2 74.5 15.4 19.3 648 652 A L T 3X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.2 5,-0.3 0.159 79.6 124.2-111.2 17.1 72.5 12.4 20.5 649 653 A A H <> S+ 0 0 40 -3,-0.9 4,-1.9 1,-0.2 5,-0.2 0.845 76.7 42.5 -49.8 -49.2 75.1 10.7 22.8 650 654 A D H > S+ 0 0 136 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 117.1 46.6 -67.8 -44.6 73.1 10.7 26.0 651 655 A E H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.893 110.9 52.8 -63.9 -42.6 69.9 9.6 24.4 652 656 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.910 110.9 46.5 -60.2 -44.4 71.5 6.9 22.3 653 657 A L H X S+ 0 0 52 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.916 111.4 52.1 -65.5 -42.2 73.2 5.3 25.4 654 658 A A H X S+ 0 0 55 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.923 113.9 42.8 -59.2 -44.5 69.9 5.5 27.4 655 659 A I H X S+ 0 0 29 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.870 110.9 55.6 -73.6 -36.1 68.0 3.7 24.6 656 660 A Y H < S+ 0 0 9 -4,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.952 113.8 41.2 -56.2 -50.9 70.8 1.2 24.1 657 661 A N H >< S+ 0 0 92 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.875 110.2 57.6 -66.0 -38.5 70.6 0.2 27.8 658 662 A A H 3< S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.761 105.8 51.4 -66.4 -24.2 66.8 0.3 27.9 659 663 A N T 3< S+ 0 0 21 -4,-1.3 -1,-0.3 -3,-0.4 18,-0.2 0.298 76.2 132.5-101.8 10.2 66.5 -2.3 25.1 660 664 A Y < - 0 0 138 -3,-1.4 2,-0.4 -4,-0.1 -3,-0.0 -0.343 37.2-165.3 -56.0 137.0 68.9 -4.9 26.7 661 665 A Q - 0 0 28 1,-0.1 -2,-0.1 13,-0.0 -1,-0.0 -0.985 17.3-167.5-131.6 121.3 67.4 -8.4 26.6 662 666 A S S S+ 0 0 79 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.907 77.4 61.6 -74.7 -41.0 68.8 -11.2 28.6 663 667 A E S S- 0 0 117 2,-0.0 2,-0.5 1,-0.0 41,-0.0 -0.651 79.3-139.9 -81.8 140.4 66.8 -13.9 26.8 664 668 A Y + 0 0 30 -2,-0.3 2,-0.4 40,-0.1 -388,-0.1 -0.913 29.5 168.9 -99.8 124.1 67.4 -14.4 23.1 665 669 A R - 0 0 97 -2,-0.5 2,-1.6 2,-0.1 -2,-0.0 -0.999 40.3-138.7-134.5 136.6 64.2 -15.1 21.1 666 670 A V + 0 0 39 -2,-0.4 2,-0.3 4,-0.1 -2,-0.0 -0.639 66.3 126.1 -87.4 73.5 63.5 -15.2 17.4 667 671 A E S > S- 0 0 108 -2,-1.6 4,-2.9 1,-0.1 3,-0.3 -0.988 70.0-119.6-136.7 141.5 60.3 -13.4 18.0 668 672 A H H > S+ 0 0 69 -2,-0.3 4,-2.2 1,-0.3 5,-0.1 0.819 110.3 49.6 -60.9 -36.7 59.2 -10.2 16.3 669 673 A E H > S+ 0 0 160 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.920 115.5 45.0 -65.3 -42.0 58.9 -8.0 19.4 670 674 A D H > S+ 0 0 16 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.894 111.4 52.5 -65.6 -42.9 62.4 -9.1 20.6 671 675 A I H X S+ 0 0 13 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.914 108.5 52.0 -60.2 -41.6 63.9 -8.7 17.1 672 676 A A H X S+ 0 0 11 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.936 110.8 46.0 -60.8 -49.5 62.5 -5.1 17.0 673 677 A K H X S+ 0 0 73 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.894 114.8 48.2 -61.4 -39.6 64.0 -4.1 20.4 674 678 A R H X S+ 0 0 4 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.889 109.0 52.7 -69.2 -40.0 67.3 -5.7 19.4 675 679 A T H X S+ 0 0 46 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.915 112.5 46.3 -61.2 -40.5 67.3 -4.0 16.0 676 680 A L H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.930 111.6 50.7 -66.3 -47.0 66.8 -0.7 17.9 677 681 A R H X S+ 0 0 28 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.934 113.7 44.8 -54.9 -47.9 69.5 -1.4 20.4 678 682 A N H X S+ 0 0 23 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.798 107.7 57.7 -72.1 -27.2 72.0 -2.3 17.7 679 683 A A H X S+ 0 0 10 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.902 109.8 46.6 -64.4 -39.5 71.0 0.8 15.6 680 684 A C H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.3 0.928 108.2 55.1 -66.6 -45.1 72.0 2.8 18.7 681 685 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.866 100.7 60.8 -54.6 -39.4 75.2 0.9 19.1 682 686 A R H X S+ 0 0 83 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.931 110.0 39.7 -56.0 -47.9 76.1 1.8 15.5 683 687 A F H >< S+ 0 0 7 -4,-1.2 3,-1.5 -3,-0.3 -2,-0.2 0.921 112.8 56.0 -66.3 -43.9 76.0 5.6 16.4 684 688 A L H >< S+ 0 0 12 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.850 99.7 60.4 -59.4 -34.0 77.7 5.0 19.8 685 689 A A H 3< S+ 0 0 2 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.773 105.2 49.5 -59.5 -28.9 80.6 3.2 18.0 686 690 A F T << S+ 0 0 14 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.186 101.7 81.3 -98.4 12.3 81.2 6.5 16.1 687 691 A G S < S- 0 0 20 -3,-1.7 -41,-0.1 1,-0.3 -3,-0.1 0.085 99.4 -14.7 -92.9-151.3 81.2 8.6 19.3 688 692 A E S > S- 0 0 126 -43,-0.1 4,-2.6 1,-0.1 -1,-0.3 -0.310 70.3-130.2 -55.4 130.4 83.9 9.2 21.9 689 693 A T H > S+ 0 0 79 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.851 98.1 47.0 -59.4 -47.8 86.6 6.6 21.2 690 694 A H H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 116.2 43.7 -64.7 -47.4 87.2 5.1 24.7 691 695 A L H > S+ 0 0 74 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.917 115.0 51.5 -60.6 -44.5 83.5 4.7 25.5 692 696 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.929 109.9 48.5 -56.3 -49.2 82.9 3.3 22.0 693 697 A D H X S+ 0 0 34 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.882 114.2 45.8 -62.2 -41.5 85.7 0.7 22.3 694 698 A V H X S+ 0 0 70 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.931 114.0 48.0 -66.7 -46.5 84.5 -0.5 25.7 695 699 A L H X S+ 0 0 18 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.923 116.5 43.0 -60.0 -47.3 80.8 -0.7 24.6 696 700 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.924 114.8 46.7 -70.1 -47.6 81.6 -2.6 21.4 697 701 A S H X S+ 0 0 30 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.909 113.1 51.7 -61.9 -41.6 84.2 -5.0 22.9 698 702 A K H X S+ 0 0 113 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.927 109.8 48.0 -60.8 -47.1 81.9 -5.8 25.8 699 703 A Q H X S+ 0 0 7 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.915 111.1 51.2 -63.3 -40.8 78.9 -6.5 23.5 700 704 A F H < S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.927 116.9 39.5 -59.6 -45.3 81.0 -8.8 21.3 701 705 A H H < S+ 0 0 105 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.797 121.7 41.4 -77.4 -29.7 82.3 -10.8 24.3 702 706 A E H < S+ 0 0 128 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.583 83.4 122.1 -95.8 -14.2 79.0 -10.9 26.3 703 707 A A < - 0 0 29 -4,-1.9 3,-0.1 -5,-0.2 -3,-0.0 -0.202 44.5-164.3 -50.3 134.9 76.7 -11.5 23.3 704 708 A N S S+ 0 0 86 -42,-0.0 2,-0.3 -41,-0.0 -1,-0.1 0.138 74.4 38.0-105.3 18.7 74.6 -14.7 23.7 705 709 A N S > S- 0 0 7 -428,-0.1 4,-1.8 1,-0.1 -428,-0.2 -0.977 84.1-112.5-162.1 157.2 73.7 -14.7 20.0 706 710 A M H > S+ 0 0 5 -430,-2.8 4,-3.0 -427,-0.5 5,-0.3 0.775 108.7 65.6 -70.8 -26.9 75.2 -14.0 16.7 707 711 A T H > S+ 0 0 18 -428,-0.5 4,-2.0 -431,-0.3 -1,-0.2 0.959 110.0 36.8 -56.7 -51.0 73.0 -10.9 16.0 708 712 A D H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.876 117.3 51.9 -73.3 -36.9 74.6 -9.0 18.9 709 713 A A H X S+ 0 0 15 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.944 113.4 44.0 -62.4 -47.8 78.1 -10.4 18.3 710 714 A L H X S+ 0 0 32 -4,-3.0 4,-3.2 2,-0.2 5,-0.2 0.869 109.0 56.6 -68.8 -36.4 78.1 -9.4 14.7 711 715 A A H X S+ 0 0 23 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.922 111.6 44.3 -58.7 -42.6 76.6 -6.0 15.3 712 716 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.940 114.4 48.0 -66.7 -47.6 79.5 -5.3 17.7 713 717 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.920 111.6 50.7 -58.9 -45.0 82.1 -6.7 15.3 714 718 A S H X S+ 0 0 24 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.884 110.1 49.7 -60.4 -41.7 80.6 -4.7 12.4 715 719 A A H X S+ 0 0 1 -4,-1.8 4,-2.7 -5,-0.2 6,-0.2 0.881 107.3 54.6 -65.7 -39.7 80.8 -1.5 14.4 716 720 A A H <>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 4,-0.4 0.900 114.2 41.3 -60.7 -41.5 84.4 -2.2 15.4 717 721 A V H ><5S+ 0 0 5 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.942 115.4 49.6 -69.5 -48.1 85.3 -2.5 11.7 718 722 A A H 3<5S+ 0 0 13 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.884 119.4 36.3 -60.8 -41.7 83.1 0.5 10.6 719 723 A A T 3<5S- 0 0 9 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.414 104.6-127.4 -93.7 0.8 84.5 2.9 13.3 720 724 A Q T < 5 - 0 0 87 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.911 42.0-173.0 52.0 48.9 88.0 1.5 13.1 721 725 A L > < - 0 0 10 -5,-2.0 3,-1.9 -6,-0.2 4,-0.3 -0.297 36.7-110.4 -73.1 154.3 88.1 1.0 16.8 722 726 A P T 3 S+ 0 0 89 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.870 117.6 54.3 -48.5 -41.1 91.1 -0.1 18.8 723 727 A C T 3> S+ 0 0 14 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.577 81.4 98.2 -72.4 -9.2 89.6 -3.5 19.5 724 728 A R H <> S+ 0 0 55 -3,-1.9 4,-2.8 -8,-0.3 5,-0.2 0.878 81.6 44.4 -49.3 -57.5 88.9 -4.3 15.8 725 729 A D H > S+ 0 0 103 -3,-0.5 4,-2.1 -4,-0.3 -1,-0.2 0.879 114.7 49.4 -60.6 -40.9 92.0 -6.4 15.0 726 730 A A H > S+ 0 0 50 -4,-0.4 4,-2.4 -3,-0.2 -1,-0.2 0.945 113.6 45.4 -61.9 -49.7 91.6 -8.5 18.3 727 731 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.905 112.3 51.1 -61.9 -42.8 87.9 -9.2 17.7 728 732 A M H X S+ 0 0 9 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.893 111.8 47.6 -63.0 -39.2 88.4 -10.0 14.0 729 733 A Q H X S+ 0 0 94 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.908 110.0 52.6 -66.9 -40.8 91.1 -12.5 15.0 730 734 A E H X S+ 0 0 78 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.873 109.8 48.7 -61.7 -39.1 89.0 -14.1 17.7 731 735 A Y H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.933 111.9 48.7 -67.8 -46.9 86.1 -14.6 15.3 732 736 A D H X S+ 0 0 11 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.951 111.8 49.2 -54.4 -52.7 88.4 -16.2 12.7 733 737 A D H < S+ 0 0 92 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.862 118.3 40.2 -58.6 -36.9 90.0 -18.5 15.3 734 738 A K H < S+ 0 0 134 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.852 129.0 25.3 -77.5 -37.3 86.5 -19.6 16.5 735 739 A W H >< S+ 0 0 17 -4,-2.7 3,-2.7 -5,-0.2 7,-0.3 0.420 77.2 112.3-117.7 0.8 84.7 -19.9 13.2 736 740 A H T 3< S+ 0 0 65 -4,-2.2 -1,-0.1 1,-0.3 -3,-0.1 0.730 79.6 57.8 -53.5 -27.3 87.2 -20.6 10.4 737 741 A Q T 3 S+ 0 0 118 -3,-0.2 2,-0.7 -5,-0.1 -1,-0.3 0.623 94.1 75.4 -76.1 -15.2 85.8 -24.1 9.9 738 742 A N <> - 0 0 21 -3,-2.7 4,-2.6 1,-0.2 3,-0.2 -0.854 61.6-169.1-109.7 100.8 82.3 -22.8 9.2 739 743 A G H > S+ 0 0 19 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.874 85.7 51.5 -59.1 -42.9 81.9 -21.2 5.8 740 744 A L H > S+ 0 0 26 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.881 113.1 45.2 -64.4 -38.6 78.5 -19.6 6.3 741 745 A V H >> S+ 0 0 1 -3,-0.2 3,-0.9 1,-0.2 4,-0.8 0.914 111.3 53.2 -70.4 -39.3 79.7 -17.9 9.5 742 746 A M H 3X S+ 0 0 0 -4,-2.6 4,-2.9 -7,-0.3 5,-0.2 0.790 94.1 71.5 -67.6 -25.5 83.0 -16.8 7.8 743 747 A D H 3X S+ 0 0 12 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.890 95.7 52.9 -53.6 -38.6 80.9 -15.2 5.0 744 748 A K H < S+ 0 0 34 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.936 113.8 47.5 -62.8 -46.0 86.7 -7.3 5.5 750 754 A A H 3< S+ 0 0 0 -4,-2.9 -2,-0.2 30,-0.3 -1,-0.2 0.766 116.1 43.2 -67.9 -29.3 85.5 -6.4 2.0 751 755 A T T 3< S+ 0 0 45 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.213 84.0 134.2-103.6 13.2 83.4 -3.5 3.2 752 756 A S < - 0 0 8 -3,-1.1 -34,-0.1 -4,-0.2 5,-0.1 -0.345 54.6-143.1 -64.8 140.0 86.0 -2.1 5.6 753 757 A P + 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 0.456 60.7 127.6 -79.2 -1.5 86.7 1.7 5.5 754 758 A A > - 0 0 8 1,-0.1 3,-1.6 -37,-0.1 4,-0.2 -0.231 69.1-125.5 -58.5 143.5 90.4 1.0 6.2 755 759 A A T 3 S+ 0 0 111 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.814 110.1 49.3 -57.6 -32.9 92.9 2.6 3.7 756 760 A N T 3> S+ 0 0 77 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.109 72.6 123.1 -96.9 21.7 94.5 -0.8 3.0 757 761 A V H <> S+ 0 0 10 -3,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.883 73.0 49.5 -54.0 -45.2 91.2 -2.7 2.4 758 762 A L H > S+ 0 0 25 -3,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.918 109.9 51.8 -63.1 -42.0 92.2 -3.9 -1.2 759 763 A E H > S+ 0 0 140 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 112.7 46.4 -55.5 -44.8 95.5 -5.2 0.1 760 764 A T H X S+ 0 0 41 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.942 112.1 49.8 -65.8 -46.9 93.6 -7.1 2.8 761 765 A V H X S+ 0 0 0 -4,-3.0 4,-0.6 1,-0.2 -2,-0.2 0.921 110.2 50.4 -57.4 -48.3 91.0 -8.4 0.4 762 766 A R H >< S+ 0 0 83 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.917 110.6 50.0 -55.6 -45.7 93.8 -9.6 -2.0 763 767 A G H >< S+ 0 0 47 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.842 101.0 64.0 -62.4 -34.5 95.5 -11.4 0.8 764 768 A L H >< S+ 0 0 15 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.629 79.9 80.1 -70.0 -12.6 92.3 -13.1 1.9 765 769 A L T << S+ 0 0 32 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.745 98.2 46.2 -60.7 -20.2 92.2 -15.0 -1.4 766 770 A Q T < S+ 0 0 165 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.321 87.0 129.5-100.9 4.7 94.7 -17.2 0.4 767 771 A H X - 0 0 27 -3,-1.7 3,-1.7 1,-0.1 -3,-0.0 -0.293 68.4-122.0 -65.5 144.7 92.6 -17.4 3.6 768 772 A R T 3 S+ 0 0 136 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.746 113.2 46.7 -55.8 -26.8 92.0 -20.9 5.0 769 773 A S T 3 S+ 0 0 14 -5,-0.1 2,-0.3 -27,-0.1 -1,-0.3 0.457 98.9 86.5 -97.5 -4.4 88.2 -20.3 4.8 770 774 A F < + 0 0 18 -3,-1.7 2,-0.3 -6,-0.2 -31,-0.0 -0.768 46.5 167.8-100.0 143.9 88.2 -18.9 1.3 771 775 A T > - 0 0 56 -2,-0.3 3,-1.4 3,-0.2 7,-0.3 -0.947 36.1-143.8-152.1 138.0 87.9 -20.8 -2.0 772 776 A M T 3 S+ 0 0 29 -2,-0.3 -1,-0.0 1,-0.3 6,-0.0 0.578 99.8 70.8 -68.7 -10.8 87.3 -19.8 -5.6 773 777 A S T 3 S+ 0 0 53 1,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.530 88.0 72.7 -82.0 -7.6 85.3 -23.0 -6.0 774 778 A N <> - 0 0 2 -3,-1.4 4,-2.4 1,-0.1 3,-0.4 -0.928 64.9-156.1-119.5 113.0 82.5 -21.8 -3.8 775 779 A P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.845 96.0 54.9 -50.8 -40.2 80.0 -19.1 -5.0 776 780 A N H > S+ 0 0 3 -524,-0.4 4,-2.1 2,-0.2 5,-0.1 0.929 110.2 45.0 -63.0 -44.0 79.1 -18.1 -1.4 777 781 A R H > S+ 0 0 23 -3,-0.4 4,-1.8 2,-0.2 5,-0.4 0.923 113.4 51.2 -63.5 -44.7 82.8 -17.4 -0.5 778 782 A I H X>S+ 0 0 1 -4,-2.4 5,-2.1 -7,-0.3 4,-1.4 0.930 113.0 45.0 -58.1 -46.0 83.3 -15.5 -3.9 779 783 A R H <>S+ 0 0 60 -4,-2.7 5,-1.3 3,-0.2 -1,-0.2 0.863 111.9 51.9 -66.3 -36.3 80.3 -13.3 -3.2 780 784 A S H <5S+ 0 0 11 -4,-2.1 -30,-0.3 -5,-0.2 -1,-0.2 0.760 125.3 22.4 -76.1 -28.1 81.2 -12.6 0.4 781 785 A L H X5S+ 0 0 0 -4,-1.8 4,-1.3 -3,-0.2 -3,-0.2 0.847 136.6 23.7-101.0 -61.8 84.7 -11.5 -0.3 782 786 A I H X5S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.4 5,-0.2 0.941 125.6 47.4 -76.5 -47.8 85.0 -10.3 -4.0 783 787 A G H >X + 0 0 16 -4,-1.1 4,-3.1 -5,-0.4 3,-0.8 -0.465 59.5 156.6-122.1 60.1 82.5 -1.0 -1.0 790 794 A P H 3> S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 -159,-0.1 0.839 70.4 61.3 -58.0 -29.9 82.0 1.4 -3.9 791 795 A A H 34 S+ 0 0 23 -161,-0.3 -160,-0.1 2,-0.2 -2,-0.1 0.898 115.4 32.6 -60.3 -40.5 84.4 3.9 -2.2 792 796 A A H X4 S+ 0 0 16 -3,-0.8 3,-1.8 -7,-0.2 8,-0.3 0.869 117.4 54.2 -82.5 -41.9 87.3 1.4 -2.4 793 797 A F H 3< S+ 0 0 0 -4,-3.1 8,-0.3 -8,-0.4 7,-0.3 0.901 112.9 45.7 -55.9 -40.4 86.1 -0.3 -5.6 794 798 A H T 3< S+ 0 0 2 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 -0.013 80.6 157.7 -95.6 28.1 86.2 3.2 -7.2 795 799 A A X - 0 0 23 -3,-1.8 3,-2.2 1,-0.1 5,-0.2 -0.258 52.3-120.4 -48.3 137.9 89.6 4.2 -5.8 796 800 A E T 3 S+ 0 0 103 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.738 109.6 65.0 -64.0 -22.3 90.9 6.9 -8.0 797 801 A D T 3 S- 0 0 113 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.507 108.1-122.8 -76.2 -4.2 94.0 4.9 -8.9 798 802 A G S <> S+ 0 0 4 -3,-2.2 4,-1.9 1,-0.1 3,-0.3 0.524 72.4 132.3 76.1 6.7 91.8 2.3 -10.7 799 803 A S H > + 0 0 29 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.815 66.8 57.5 -60.0 -34.5 93.1 -0.5 -8.5 800 804 A G H > S+ 0 0 0 -8,-0.3 4,-2.2 -7,-0.3 -1,-0.2 0.912 106.8 47.2 -61.7 -44.7 89.6 -1.7 -7.7 801 805 A Y H > S+ 0 0 3 -8,-0.3 4,-2.5 -3,-0.3 -2,-0.2 0.906 111.0 51.5 -65.7 -41.3 88.8 -2.2 -11.4 802 806 A L H X S+ 0 0 100 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.894 109.2 50.8 -64.4 -40.5 92.0 -4.1 -12.1 803 807 A F H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.947 110.4 48.7 -60.8 -48.2 91.4 -6.4 -9.2 804 808 A L H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.901 108.4 54.5 -61.9 -40.3 87.9 -7.2 -10.5 805 809 A V H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.920 107.6 50.2 -56.8 -44.9 89.3 -7.9 -14.0 806 810 A E H X S+ 0 0 89 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.921 113.5 45.4 -58.2 -45.6 91.7 -10.4 -12.5 807 811 A M H X S+ 0 0 20 -4,-2.2 4,-2.6 1,-0.2 3,-0.3 0.908 112.9 49.6 -67.8 -40.7 88.9 -12.2 -10.6 808 812 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.765 101.7 62.8 -71.2 -26.9 86.5 -12.2 -13.6 809 813 A T H X S+ 0 0 57 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.897 111.4 38.9 -62.6 -39.9 89.3 -13.6 -15.9 810 814 A D H >X S+ 0 0 55 -4,-1.2 4,-1.9 -3,-0.3 3,-1.2 0.964 118.2 47.4 -67.9 -55.9 89.2 -16.6 -13.6 811 815 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.3 8,-0.4 0.761 97.3 69.2 -66.8 -28.2 85.4 -16.8 -13.1 812 816 A N H 3< S+ 0 0 5 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 0.884 113.4 31.6 -54.0 -39.0 84.6 -16.3 -16.8 813 817 A S H << S+ 0 0 86 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.831 126.2 42.5 -86.1 -37.4 86.0 -19.8 -17.4 814 818 A R H < S- 0 0 80 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.935 134.7 -5.2 -78.3 -50.0 85.1 -21.4 -14.0 815 819 A N X - 0 0 6 -4,-2.4 4,-2.3 -5,-0.1 3,-0.4 -0.674 57.7-174.8-155.0 82.3 81.6 -20.1 -13.3 816 820 A P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.796 84.8 59.2 -56.3 -32.0 80.1 -17.6 -15.8 817 821 A Q H > S+ 0 0 29 2,-0.2 4,-1.7 -716,-0.2 5,-0.1 0.934 110.0 41.4 -63.9 -45.0 76.9 -17.1 -13.7 818 822 A V H > S+ 0 0 2 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.897 113.0 55.5 -68.5 -37.5 78.9 -15.9 -10.7 819 823 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -8,-0.4 -2,-0.2 0.918 107.1 50.3 -57.1 -43.7 81.2 -13.9 -13.0 820 824 A S H X S+ 0 0 3 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.857 108.4 51.2 -67.8 -34.6 78.1 -12.2 -14.4 821 825 A R H >< S+ 0 0 97 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.933 112.7 47.9 -62.7 -43.3 76.9 -11.3 -10.9 822 826 A L H 3< S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 4,-0.2 0.684 101.9 61.1 -75.2 -21.1 80.3 -9.8 -10.1 823 827 A I H >X S+ 0 0 0 -4,-1.5 3,-1.8 1,-0.2 4,-1.1 0.675 78.2 93.7 -78.4 -15.0 80.7 -7.7 -13.2 824 828 A E G X< S+ 0 0 24 -3,-0.8 3,-0.7 -4,-0.6 4,-0.4 0.845 78.6 54.9 -49.2 -46.2 77.6 -5.7 -12.4 825 829 A P G >4 S+ 0 0 25 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.795 106.1 54.4 -59.8 -25.0 79.4 -2.8 -10.6 826 830 A L G X4 S+ 0 0 0 -3,-1.8 3,-0.9 -4,-0.2 -2,-0.2 0.768 98.3 61.0 -78.9 -26.8 81.6 -2.3 -13.7 827 831 A I G << S+ 0 0 0 -4,-1.1 3,-0.4 -3,-0.7 -1,-0.2 0.522 87.6 74.8 -81.1 -1.4 78.7 -1.8 -16.1 828 832 A R G X + 0 0 47 -3,-0.6 3,-2.3 -4,-0.4 -1,-0.2 0.203 59.7 124.3 -90.1 16.5 77.5 1.2 -14.1 829 833 A L G X + 0 0 0 -3,-0.9 3,-1.8 1,-0.3 -1,-0.2 0.747 60.0 63.7 -52.4 -34.0 80.4 3.3 -15.6 830 834 A K G 3 S+ 0 0 108 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.657 92.8 65.0 -70.6 -12.0 78.2 6.0 -17.1 831 835 A R G < S+ 0 0 30 -3,-2.3 -203,-3.2 -204,-0.1 -1,-0.3 0.492 97.6 75.2 -81.4 -4.1 77.1 7.0 -13.6 832 836 A Y S < S- 0 0 20 -3,-1.8 -203,-0.1 -205,-0.2 5,-0.0 -0.615 91.8 -83.0-112.7 166.7 80.7 8.0 -12.8 833 837 A D > - 0 0 49 -205,-0.4 4,-2.8 -2,-0.2 3,-0.3 -0.157 48.5-100.9 -64.6 162.3 83.0 10.9 -13.6 834 838 A A H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.841 119.9 51.9 -55.5 -42.3 85.0 11.0 -16.9 835 839 A K H > S+ 0 0 111 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.902 113.9 43.4 -63.4 -43.6 88.3 9.8 -15.4 836 840 A R H > S+ 0 0 10 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.910 110.2 57.1 -68.1 -41.7 86.6 6.8 -13.7 837 841 A Q H X S+ 0 0 37 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.894 105.1 51.0 -54.8 -44.4 84.6 6.0 -16.8 838 842 A E H X S+ 0 0 114 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.905 111.7 46.2 -66.8 -36.9 87.7 5.7 -18.9 839 843 A K H X S+ 0 0 78 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.891 114.8 47.7 -67.7 -39.7 89.3 3.3 -16.5 840 844 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.910 110.9 51.1 -68.0 -40.8 86.1 1.3 -16.2 841 845 A R H X S+ 0 0 52 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.919 109.3 51.2 -60.4 -44.2 85.8 1.2 -20.1 842 846 A A H X S+ 0 0 63 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.894 110.0 49.8 -58.9 -41.5 89.4 0.0 -20.3 843 847 A A H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.930 111.3 48.2 -63.6 -45.9 88.6 -2.8 -17.8 844 848 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.878 109.5 53.2 -61.7 -40.2 85.5 -3.8 -19.8 845 849 A E H X S+ 0 0 96 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.853 106.9 52.5 -65.1 -36.0 87.5 -3.8 -23.1 846 850 A Q H < S+ 0 0 115 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.930 112.0 45.6 -63.4 -45.1 90.1 -6.1 -21.5 847 851 A L H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.875 105.2 60.6 -65.7 -37.0 87.3 -8.5 -20.5 848 852 A K H 3< S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.808 102.6 55.4 -59.2 -28.7 85.7 -8.2 -24.0 849 853 A G T 3< S+ 0 0 64 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.370 79.3 129.1 -88.1 4.1 88.9 -9.6 -25.4 850 854 A L X - 0 0 39 -3,-1.9 3,-1.0 1,-0.1 2,-0.2 -0.328 65.8-114.0 -62.2 137.2 89.0 -12.8 -23.3 851 855 A E T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.0 -0.523 103.6 12.4 -61.4 136.0 89.5 -16.1 -25.0 852 856 A N T 3 S- 0 0 127 -2,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.895 87.0-166.0 56.5 45.8 86.3 -18.1 -24.6 853 857 A L < - 0 0 38 -3,-1.0 -1,-0.2 -5,-0.1 -5,-0.0 -0.464 20.6-120.9 -60.1 125.4 84.2 -15.1 -23.3 854 858 A S > - 0 0 13 -2,-0.2 4,-2.7 1,-0.1 5,-0.1 -0.323 9.3-124.5 -67.8 150.1 81.0 -16.5 -21.8 855 859 A G H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.869 111.3 64.2 -58.5 -36.2 77.7 -15.4 -23.2 856 860 A D H > S+ 0 0 16 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.930 112.4 32.1 -52.6 -50.6 76.8 -14.3 -19.6 857 861 A L H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.862 113.0 62.3 -78.3 -38.3 79.6 -11.7 -19.7 858 862 A Y H X S+ 0 0 79 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.908 102.1 52.2 -52.1 -46.4 79.3 -10.9 -23.4 859 863 A E H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.923 115.6 39.3 -59.3 -46.0 75.7 -9.7 -23.0 860 864 A K H X S+ 0 0 16 -4,-1.0 4,-2.3 -5,-0.2 -2,-0.2 0.900 115.8 50.5 -73.3 -40.5 76.6 -7.3 -20.2 861 865 A I H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.927 109.8 50.3 -64.2 -45.9 79.9 -6.1 -21.6 862 866 A T H X S+ 0 0 37 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.909 112.7 46.4 -62.3 -42.2 78.4 -5.3 -25.0 863 867 A K H >< S+ 0 0 56 -4,-1.5 3,-0.6 -5,-0.3 -1,-0.2 0.912 112.9 50.8 -64.3 -40.3 75.6 -3.3 -23.5 864 868 A A H 3< S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.830 112.3 45.4 -66.8 -33.9 78.0 -1.4 -21.2 865 869 A L H 3< 0 0 30 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.535 360.0 360.0 -89.7 -8.0 80.4 -0.4 -24.0 866 870 A A << 0 0 123 -4,-0.8 -3,-0.0 -3,-0.6 -4,-0.0 -0.285 360.0 360.0 -66.6 360.0 77.6 0.7 -26.4 867 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 868 960 A K 0 0 11 0, 0.0 -610,-0.4 0, 0.0 -611,-0.1 0.000 360.0 360.0 360.0 360.0 64.6 -19.8 -8.5