==== 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 3B37 . COMPND 2 MOLECULE: AMINOPEPTIDASE N; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR A.ADDLAGATTA . 867 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33258.0 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 . 62 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 34.7 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 1 2 0 2 1 4 1 3 1 2 0 3 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 . 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 0.000 360.0 360.0 360.0 133.7 44.2 -15.3 57.4 2 6 A Q - 0 0 168 364,-0.1 2,-0.2 1,-0.0 363,-0.0 -0.727 360.0-126.0 -98.4 135.0 47.6 -14.7 59.0 3 7 A A - 0 0 24 -2,-0.4 2,-0.4 361,-0.0 363,-0.3 -0.492 18.3-146.9 -73.5 144.5 50.5 -12.7 57.4 4 8 A K E -A 365 0A 153 361,-3.0 361,-2.6 -2,-0.2 2,-0.4 -0.909 12.2-145.2-111.9 146.2 53.9 -14.2 57.1 5 9 A Y E > -A 364 0A 86 -2,-0.4 3,-1.6 359,-0.2 359,-0.2 -0.900 16.6-138.7-121.1 136.4 57.1 -12.1 57.4 6 10 A R G > S+ 0 0 67 357,-2.3 3,-1.8 -2,-0.4 -1,-0.1 0.868 104.4 60.9 -55.8 -39.3 60.4 -12.4 55.6 7 11 A H G 3 S+ 0 0 133 356,-0.4 -1,-0.3 1,-0.3 357,-0.1 0.636 94.4 65.8 -67.7 -12.6 62.3 -11.6 58.9 8 12 A D G < S+ 0 0 87 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.417 70.6 132.7 -87.1 0.6 60.8 -14.7 60.5 9 13 A Y < + 0 0 56 -3,-1.8 2,-0.3 -4,-0.2 299,-0.0 -0.288 28.3 171.0 -54.5 131.3 62.6 -17.1 58.1 10 14 A R - 0 0 164 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.993 39.6-100.2-140.6 142.5 64.3 -20.0 60.0 11 15 A A - 0 0 72 -2,-0.3 2,-0.1 1,-0.1 30,-0.0 -0.202 54.7 -93.1 -53.1 146.7 66.0 -23.2 58.7 12 16 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 -0.348 17.7-137.1 -69.9 145.0 63.6 -26.2 58.9 13 17 A D S S+ 0 0 79 28,-0.1 28,-3.1 34,-0.1 29,-2.8 0.758 92.6 32.0 -64.9 -27.5 63.7 -28.5 62.0 14 18 A Y E -B 40 0B 4 26,-0.3 2,-0.3 27,-0.2 26,-0.2 -0.974 68.8-157.2-131.4 143.8 63.5 -31.5 59.6 15 19 A Q E -B 39 0B 42 24,-2.8 24,-2.5 -2,-0.4 2,-0.4 -0.869 9.0-147.3-109.4 153.6 64.8 -32.2 56.1 16 20 A I E -B 38 0B 1 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.993 14.7-179.9-115.3 132.4 63.5 -34.7 53.6 17 21 A T E + 0 0 47 20,-2.8 119,-2.3 -2,-0.4 2,-0.3 0.710 66.7 13.2-101.5 -29.6 66.2 -36.2 51.3 18 22 A D E -Bc 37 136B 49 19,-0.8 19,-2.8 117,-0.3 2,-0.4 -0.990 59.5-167.5-151.3 140.6 64.2 -38.6 49.2 19 23 A I E -Bc 36 137B 3 117,-2.6 119,-2.0 -2,-0.3 2,-0.6 -0.999 6.3-161.3-138.3 135.1 60.5 -39.2 48.5 20 24 A D E -Bc 35 138B 60 15,-2.5 15,-2.2 -2,-0.4 2,-0.3 -0.944 18.1-167.4-116.9 106.6 58.9 -42.1 46.7 21 25 A L E -Bc 34 139B 0 117,-2.8 119,-3.2 -2,-0.6 2,-0.4 -0.745 11.2-171.2-100.6 139.7 55.3 -41.3 45.5 22 26 A T E -Bc 33 140B 28 11,-2.5 11,-2.6 -2,-0.3 2,-0.5 -1.000 5.5-165.3-124.4 130.4 52.7 -43.7 44.3 23 27 A F E -Bc 32 141B 0 117,-2.6 119,-2.9 -2,-0.4 2,-1.0 -0.969 11.9-164.0-112.6 119.6 49.5 -42.3 42.7 24 28 A D E -Bc 31 142B 61 7,-3.0 7,-2.0 -2,-0.5 2,-0.2 -0.864 36.3-145.4 -95.3 96.2 46.5 -44.6 42.3 25 29 A L + 0 0 8 117,-2.8 119,-0.3 -2,-1.0 2,-0.3 -0.475 39.1 141.6 -80.5 134.4 44.8 -42.3 39.9 26 30 A D - 0 0 69 -2,-0.2 71,-0.2 117,-0.1 -2,-0.1 -0.904 48.9-128.5-161.7 139.0 41.1 -41.6 39.5 27 31 A A S S+ 0 0 11 -2,-0.3 70,-3.1 1,-0.2 71,-0.3 0.849 109.9 37.4 -59.9 -36.7 39.3 -38.4 38.8 28 32 A Q S S+ 0 0 129 1,-0.3 2,-0.3 68,-0.2 -1,-0.2 0.876 133.9 11.7 -82.5 -41.2 36.9 -38.9 41.7 29 33 A K - 0 0 115 66,-0.1 2,-0.4 68,-0.0 -1,-0.3 -0.865 64.6-176.3-146.5 106.7 39.3 -40.5 44.3 30 34 A T E - D 0 94B 0 64,-2.8 64,-2.2 -2,-0.3 2,-0.6 -0.869 16.1-147.5-101.6 133.2 43.0 -40.6 43.9 31 35 A V E -BD 24 93B 35 -7,-2.0 -7,-3.0 -2,-0.4 2,-0.5 -0.915 12.5-162.7-103.8 123.9 45.0 -42.5 46.5 32 36 A V E -BD 23 92B 0 60,-3.2 60,-2.4 -2,-0.6 2,-0.5 -0.913 8.0-170.9-110.3 127.5 48.5 -41.1 47.3 33 37 A T E -BD 22 91B 32 -11,-2.6 -11,-2.5 -2,-0.5 2,-0.5 -0.984 9.7-173.9-113.4 124.5 51.2 -43.1 49.1 34 38 A A E -BD 21 90B 3 56,-2.9 56,-2.4 -2,-0.5 2,-0.6 -0.972 9.1-171.7-126.7 116.8 54.2 -41.0 50.0 35 39 A V E -BD 20 89B 34 -15,-2.2 -15,-2.5 -2,-0.5 2,-0.4 -0.932 14.7-176.2-111.1 110.9 57.3 -42.6 51.5 36 40 A S E -BD 19 88B 2 52,-3.0 52,-3.2 -2,-0.6 2,-0.7 -0.868 24.1-142.9-113.2 137.0 59.8 -39.9 52.7 37 41 A Q E -BD 18 87B 73 -19,-2.8 -20,-2.8 -2,-0.4 -19,-0.8 -0.892 34.0-172.3 -95.6 117.3 63.3 -40.3 54.1 38 42 A A E -BD 16 86B 2 48,-3.1 48,-2.0 -2,-0.7 2,-0.4 -0.794 19.1-163.2-118.6 154.5 63.6 -37.6 56.8 39 43 A V E -BD 15 85B 15 -24,-2.5 -24,-2.8 -2,-0.3 2,-0.5 -1.000 19.1-132.6-136.1 130.5 66.4 -36.3 59.0 40 44 A R E +B 14 0B 32 44,-3.4 -26,-0.3 -2,-0.4 -27,-0.1 -0.747 29.7 164.8 -86.0 128.4 66.0 -34.1 62.1 41 45 A H + 0 0 123 -28,-3.1 -27,-0.2 -2,-0.5 -1,-0.2 0.626 59.7 67.9-108.2 -25.1 68.2 -31.1 62.3 42 46 A G S S- 0 0 26 -29,-2.8 2,-0.1 1,-0.2 -29,-0.0 0.101 102.2 -43.2 -82.2-163.8 66.4 -29.3 65.1 43 47 A A > - 0 0 55 1,-0.1 3,-2.9 2,-0.1 -1,-0.2 -0.350 53.2-116.9 -66.0 142.3 65.9 -30.1 68.8 44 48 A S T 3 S+ 0 0 97 1,-0.3 38,-0.2 -3,-0.1 -1,-0.1 0.690 116.7 50.8 -52.8 -20.7 65.2 -33.7 69.7 45 49 A D T 3 S+ 0 0 143 36,-0.1 -1,-0.3 35,-0.1 36,-0.1 0.265 82.5 111.0-102.8 10.0 61.8 -32.4 71.1 46 50 A A < - 0 0 13 -3,-2.9 36,-0.3 -33,-0.1 2,-0.1 -0.709 64.1-134.4 -84.1 130.6 60.7 -30.5 68.0 47 51 A P - 0 0 25 0, 0.0 2,-0.6 0, 0.0 33,-0.2 -0.482 19.2-108.5 -81.7 160.2 57.8 -32.1 66.2 48 52 A L E -I 79 0C 0 31,-2.9 31,-3.1 -2,-0.1 2,-0.7 -0.802 32.8-159.6 -83.8 119.9 57.6 -32.6 62.4 49 53 A R E -I 78 0C 140 -2,-0.6 2,-0.4 29,-0.2 29,-0.2 -0.887 8.4-169.3-108.5 106.2 55.1 -30.1 61.1 50 54 A L E -I 77 0C 0 27,-2.9 27,-2.1 -2,-0.7 2,-0.3 -0.798 17.7-129.9 -97.4 135.8 53.8 -31.1 57.7 51 55 A N E +IJ 76 127C 38 76,-2.9 76,-2.2 -2,-0.4 2,-0.3 -0.609 35.9 161.6 -79.8 142.0 51.7 -28.8 55.5 52 56 A G - 0 0 4 23,-2.0 2,-0.4 -2,-0.3 71,-0.2 -0.945 18.6-168.8-160.2 140.7 48.4 -30.2 54.1 53 57 A E S S- 0 0 55 69,-2.6 21,-0.0 -2,-0.3 -2,-0.0 -0.998 72.7 -10.5-134.1 130.1 45.2 -28.8 52.6 54 58 A D S S+ 0 0 140 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.895 89.8 147.1 53.4 47.1 42.0 -30.7 51.8 55 59 A L - 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0 0 8 -2,-0.7 -2,-0.1 1,-0.1 -50,-0.0 -0.283 30.9 -89.2 -66.6 148.1 49.6 5.7 20.7 616 620 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -274,-0.0 -0.294 51.9-110.2 -50.9 142.2 50.1 5.0 24.4 617 621 A S > - 0 0 39 1,-0.1 4,-3.0 -3,-0.1 5,-0.2 -0.238 28.6-100.8 -71.3 167.3 47.4 2.8 25.7 618 622 A V H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.815 127.1 53.7 -59.9 -29.7 44.6 4.1 28.1 619 623 A N H > S+ 0 0 44 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.897 108.9 45.8 -69.6 -41.8 46.7 2.4 30.9 620 624 A E H 4 S+ 0 0 27 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.915 113.7 51.1 -63.9 -42.1 49.9 4.2 29.9 621 625 A M H >< S+ 0 0 0 -4,-3.0 3,-2.1 1,-0.2 4,-0.2 0.906 101.8 61.3 -61.9 -41.7 47.9 7.4 29.6 622 626 A A H >< S+ 0 0 7 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.833 94.5 62.3 -54.7 -34.5 46.4 7.0 33.1 623 627 A E T 3< S+ 0 0 28 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.468 88.5 70.7 -81.2 6.4 49.8 7.1 34.7 624 628 A L T < S+ 0 0 62 -3,-2.1 2,-0.4 -4,-0.1 -1,-0.3 0.551 97.0 66.2 -82.7 -9.2 50.3 10.6 33.5 625 629 A F < - 0 0 34 -3,-1.8 3,-0.2 -4,-0.2 -1,-0.0 -0.917 64.8-152.0-124.0 138.8 47.7 11.7 36.1 626 630 A D S S+ 0 0 149 -2,-0.4 2,-0.6 1,-0.3 -1,-0.1 0.953 101.3 33.5 -64.9 -52.7 47.4 11.8 39.9 627 631 A I S S- 0 0 92 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 -0.942 92.3-136.4-107.8 120.9 43.6 11.4 39.6 628 632 A I - 0 0 6 203,-3.2 205,-0.4 -2,-0.6 3,-0.1 -0.628 15.9-168.9 -82.4 126.4 42.5 9.3 36.7 629 633 A D > - 0 0 33 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.872 8.9-176.3-107.1 93.7 39.6 10.4 34.5 630 634 A P H > S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 161,-0.3 0.802 79.4 51.1 -70.6 -27.3 39.0 7.2 32.5 631 635 A I H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.950 112.0 46.1 -70.1 -48.2 36.3 8.6 30.3 632 636 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.920 113.3 51.0 -57.7 -44.6 38.4 11.7 29.4 633 637 A I H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.949 111.6 46.6 -59.4 -48.4 41.4 9.5 28.7 634 638 A A H X S+ 0 0 30 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.920 115.9 44.6 -61.0 -43.6 39.4 7.2 26.4 635 639 A E H X S+ 0 0 102 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.842 112.5 51.2 -75.5 -31.2 37.8 10.0 24.5 636 640 A V H X S+ 0 0 5 -4,-2.6 4,-3.1 -5,-0.2 5,-0.2 0.904 108.2 52.7 -68.0 -42.8 41.1 11.9 24.1 637 641 A R H X S+ 0 0 62 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.942 113.1 44.5 -57.6 -45.9 42.8 8.8 22.8 638 642 A E H X S+ 0 0 53 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.936 113.7 49.5 -62.8 -45.4 40.0 8.5 20.2 639 643 A A H X S+ 0 0 31 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.894 110.7 49.8 -64.2 -39.9 40.1 12.2 19.3 640 644 A L H X S+ 0 0 7 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.907 110.9 50.3 -62.7 -41.5 43.9 12.2 18.9 641 645 A T H X S+ 0 0 9 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.935 112.7 46.5 -60.2 -47.3 43.5 9.1 16.6 642 646 A R H X S+ 0 0 85 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.886 111.9 51.0 -64.7 -40.8 40.9 10.9 14.5 643 647 A T H X S+ 0 0 43 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.939 113.3 43.8 -63.9 -46.4 42.9 14.1 14.3 644 648 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.891 110.8 56.5 -66.3 -37.2 46.0 12.3 13.2 645 649 A A H < S+ 0 0 2 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.915 113.1 41.0 -57.5 -44.7 43.9 10.2 10.7 646 650 A T H >< S+ 0 0 95 -4,-2.2 3,-0.9 2,-0.2 4,-0.2 0.945 118.1 44.8 -69.9 -49.3 42.6 13.5 9.1 647 651 A E H 3< S+ 0 0 104 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.793 125.9 32.3 -66.5 -29.1 45.9 15.4 9.1 648 652 A L T 3X S+ 0 0 0 -4,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.177 79.9 123.7-114.4 16.2 47.9 12.4 7.8 649 653 A A H <> S+ 0 0 41 -3,-0.9 4,-2.1 -4,-0.3 5,-0.2 0.845 77.1 43.0 -50.5 -49.0 45.3 10.7 5.6 650 654 A D H > S+ 0 0 134 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 117.2 46.4 -66.0 -45.1 47.2 10.7 2.4 651 655 A E H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 111.1 52.6 -64.1 -44.6 50.5 9.6 4.0 652 656 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.907 110.8 46.8 -58.7 -43.8 48.8 6.9 6.1 653 657 A L H X S+ 0 0 53 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.905 111.1 52.2 -67.1 -40.2 47.2 5.3 3.0 654 658 A A H X S+ 0 0 55 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 113.9 42.3 -58.8 -46.8 50.5 5.5 1.0 655 659 A I H X S+ 0 0 30 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.866 111.1 56.2 -73.6 -35.4 52.4 3.7 3.8 656 660 A Y H < S+ 0 0 9 -4,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.954 114.0 40.0 -55.6 -52.0 49.6 1.2 4.3 657 661 A N H >< S+ 0 0 92 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.885 110.9 57.7 -67.2 -38.0 49.8 0.2 0.6 658 662 A A H 3< S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.753 105.5 51.7 -65.4 -25.6 53.6 0.3 0.4 659 663 A N T 3< S+ 0 0 21 -4,-1.3 -1,-0.3 -3,-0.4 18,-0.2 0.292 76.5 133.3-101.1 11.0 53.9 -2.3 3.2 660 664 A Y < - 0 0 139 -3,-1.5 2,-0.4 -4,-0.1 -3,-0.0 -0.331 36.7-165.8 -55.0 136.2 51.5 -4.8 1.7 661 665 A Q - 0 0 28 1,-0.1 -2,-0.1 13,-0.0 -1,-0.0 -0.975 17.5-168.2-132.0 120.5 53.0 -8.4 1.8 662 666 A S S S+ 0 0 78 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.897 77.1 62.0 -74.6 -39.5 51.6 -11.2 -0.3 663 667 A E S S- 0 0 116 2,-0.0 2,-0.6 1,-0.0 41,-0.0 -0.657 79.7-138.8 -82.8 140.1 53.5 -13.9 1.6 664 668 A Y + 0 0 31 -2,-0.3 2,-0.4 40,-0.1 -388,-0.1 -0.916 29.9 170.6 -99.3 123.8 53.0 -14.4 5.3 665 669 A R - 0 0 96 -2,-0.6 2,-1.6 2,-0.1 -2,-0.0 -0.998 39.2-141.1-134.0 135.2 56.2 -15.0 7.3 666 670 A V + 0 0 38 -2,-0.4 2,-0.3 4,-0.1 3,-0.0 -0.641 66.3 124.7 -89.3 72.1 56.9 -15.2 11.0 667 671 A E S > S- 0 0 108 -2,-1.6 4,-2.8 1,-0.1 3,-0.3 -0.985 71.1-118.9-137.7 142.1 60.1 -13.4 10.4 668 672 A H H > S+ 0 0 72 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.833 110.5 49.4 -62.6 -37.6 61.2 -10.1 12.0 669 673 A E H > S+ 0 0 162 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.930 115.7 45.2 -63.5 -43.3 61.5 -7.9 8.9 670 674 A D H > S+ 0 0 14 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.889 111.5 52.0 -65.1 -41.7 58.0 -9.1 7.8 671 675 A I H X S+ 0 0 11 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.910 108.5 52.2 -63.1 -40.0 56.5 -8.6 11.2 672 676 A A H X S+ 0 0 10 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.937 110.6 46.4 -62.3 -48.5 57.9 -5.1 11.3 673 677 A K H X S+ 0 0 72 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.899 114.7 47.7 -60.6 -40.4 56.3 -4.1 8.0 674 678 A R H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.882 109.0 53.0 -69.1 -39.6 53.0 -5.7 9.0 675 679 A T H X S+ 0 0 47 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.906 112.9 45.9 -61.6 -40.0 53.0 -4.0 12.4 676 680 A L H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.936 111.4 50.8 -67.0 -48.3 53.5 -0.7 10.5 677 681 A R H X S+ 0 0 27 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.929 113.7 45.4 -54.2 -45.7 50.8 -1.4 7.9 678 682 A N H X S+ 0 0 22 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.818 107.7 56.5 -74.8 -27.4 48.3 -2.3 10.7 679 683 A A H X S+ 0 0 10 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.924 110.1 47.1 -63.6 -42.0 49.3 0.8 12.7 680 684 A C H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.917 108.8 54.4 -64.1 -43.3 48.4 2.8 9.6 681 685 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.878 101.6 59.2 -57.4 -40.1 45.1 0.9 9.2 682 686 A R H X S+ 0 0 85 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.926 110.3 40.9 -57.5 -46.1 44.2 1.8 12.8 683 687 A F H >< S+ 0 0 8 -4,-1.4 3,-1.8 1,-0.2 -2,-0.2 0.938 112.4 55.5 -66.6 -46.3 44.3 5.5 12.0 684 688 A L H >< S+ 0 0 11 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.842 99.3 61.4 -55.4 -35.2 42.6 5.0 8.6 685 689 A A H 3< S+ 0 0 2 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.751 104.7 49.4 -60.8 -26.0 39.7 3.3 10.4 686 690 A F T << S+ 0 0 13 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.199 101.8 80.6 -99.5 10.3 39.1 6.6 12.2 687 691 A G S < S- 0 0 20 -3,-1.8 -41,-0.1 1,-0.3 -3,-0.1 0.064 100.0 -14.5 -91.7-153.2 39.2 8.7 9.0 688 692 A E S > S- 0 0 124 -43,-0.1 4,-2.5 1,-0.1 -1,-0.3 -0.296 70.8-129.6 -53.4 130.0 36.5 9.2 6.4 689 693 A T H > S+ 0 0 80 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.836 98.4 47.2 -59.0 -48.4 33.8 6.6 7.1 690 694 A H H > S+ 0 0 132 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.942 115.9 44.1 -63.5 -48.8 33.2 5.0 3.7 691 695 A L H > S+ 0 0 65 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.915 114.9 51.4 -58.9 -45.1 37.0 4.6 2.9 692 696 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.934 111.0 46.8 -56.4 -49.8 37.5 3.3 6.4 693 697 A D H X S+ 0 0 34 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.873 114.5 47.3 -63.3 -40.6 34.7 0.7 6.0 694 698 A V H X S+ 0 0 67 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.952 114.0 46.5 -64.8 -49.0 35.9 -0.4 2.6 695 699 A L H X S+ 0 0 19 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.920 116.6 43.7 -60.5 -47.0 39.5 -0.7 3.7 696 700 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.928 114.8 47.4 -70.3 -44.9 38.7 -2.6 6.9 697 701 A S H X S+ 0 0 30 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.916 112.9 50.4 -61.9 -43.0 36.1 -5.0 5.4 698 702 A K H X S+ 0 0 112 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.933 110.6 48.1 -61.9 -47.8 38.5 -5.8 2.5 699 703 A Q H X S+ 0 0 7 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.917 110.3 51.9 -62.3 -42.0 41.4 -6.6 4.8 700 704 A F H < S+ 0 0 28 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.941 117.6 38.3 -58.1 -47.1 39.3 -8.8 7.0 701 705 A H H < S+ 0 0 106 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.796 121.6 42.6 -75.0 -29.9 38.1 -10.8 4.0 702 706 A E H < S+ 0 0 131 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.623 83.6 121.2 -93.9 -15.5 41.4 -10.8 2.1 703 707 A A < - 0 0 29 -4,-2.0 3,-0.1 -5,-0.3 -3,-0.0 -0.189 44.6-165.4 -50.0 134.0 43.7 -11.5 5.0 704 708 A N S S+ 0 0 87 -42,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.084 74.4 38.5-106.1 21.6 45.8 -14.7 4.6 705 709 A N S > S- 0 0 7 -428,-0.1 4,-1.8 1,-0.1 -428,-0.2 -0.975 84.3-112.8-164.2 157.0 46.7 -14.7 8.3 706 710 A M H > S+ 0 0 5 -430,-2.7 4,-2.7 -427,-0.5 5,-0.3 0.754 108.7 65.9 -71.9 -25.3 45.1 -14.0 11.7 707 711 A T H > S+ 0 0 18 -428,-0.4 4,-2.1 -431,-0.3 -1,-0.2 0.972 109.7 36.9 -58.2 -51.7 47.4 -10.9 12.3 708 712 A D H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.874 117.3 51.4 -71.8 -36.7 45.8 -9.0 9.4 709 713 A A H X S+ 0 0 15 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.927 113.4 44.4 -64.9 -44.7 42.3 -10.4 10.0 710 714 A L H X S+ 0 0 33 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.872 108.8 56.7 -70.3 -36.6 42.3 -9.4 13.7 711 715 A A H X S+ 0 0 23 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.926 111.9 43.7 -58.4 -43.8 43.8 -6.0 13.0 712 716 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.947 114.8 47.9 -65.9 -48.5 40.8 -5.3 10.7 713 717 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.916 112.0 50.1 -59.2 -44.4 38.2 -6.7 13.1 714 718 A S H X S+ 0 0 24 -4,-3.1 4,-3.0 1,-0.2 -1,-0.2 0.891 110.5 50.0 -62.0 -41.3 39.7 -4.7 16.0 715 719 A A H X S+ 0 0 1 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.894 107.4 54.1 -64.8 -41.4 39.6 -1.5 13.9 716 720 A A H <>S+ 0 0 0 -4,-2.5 5,-2.1 2,-0.2 4,-0.3 0.891 114.3 41.8 -59.5 -41.3 35.9 -2.1 13.0 717 721 A V H ><5S+ 0 0 5 -4,-2.0 3,-0.9 3,-0.2 -2,-0.2 0.948 115.0 49.8 -69.8 -48.1 35.1 -2.5 16.7 718 722 A A H 3<5S+ 0 0 13 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.883 119.8 35.5 -58.9 -42.2 37.2 0.5 17.8 719 723 A A T 3<5S- 0 0 9 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.382 104.7-126.9 -96.6 3.2 35.9 2.9 15.2 720 724 A Q T < 5 - 0 0 91 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.920 42.2-172.7 50.9 51.5 32.3 1.5 15.3 721 725 A L > < - 0 0 11 -5,-2.1 3,-1.9 -6,-0.2 4,-0.3 -0.331 36.5-110.3 -75.7 154.2 32.3 1.0 11.5 722 726 A P T 3 S+ 0 0 90 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.877 117.9 54.0 -47.9 -42.4 29.2 -0.1 9.6 723 727 A C T 3> S+ 0 0 14 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.569 81.8 97.9 -71.7 -10.5 30.8 -3.5 8.8 724 728 A R H <> S+ 0 0 54 -3,-1.9 4,-2.9 -8,-0.3 5,-0.2 0.879 81.9 44.5 -47.2 -57.0 31.5 -4.3 12.5 725 729 A D H > S+ 0 0 104 -3,-0.5 4,-2.1 -4,-0.3 -1,-0.2 0.882 115.1 48.5 -62.0 -41.0 28.4 -6.4 13.3 726 730 A A H > S+ 0 0 52 -4,-0.4 4,-2.5 -3,-0.2 -1,-0.2 0.939 114.1 45.7 -61.6 -49.8 28.8 -8.5 10.1 727 731 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.909 112.4 50.9 -63.0 -42.9 32.5 -9.1 10.6 728 732 A M H X S+ 0 0 9 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.901 111.9 47.5 -61.5 -40.6 32.0 -10.0 14.3 729 733 A Q H X S+ 0 0 96 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.913 109.9 53.0 -66.8 -41.7 29.3 -12.5 13.4 730 734 A E H X S+ 0 0 78 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.909 109.8 48.2 -59.1 -42.3 31.4 -14.0 10.7 731 735 A Y H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.932 112.1 48.7 -66.0 -47.3 34.3 -14.6 13.1 732 736 A D H X S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.944 111.9 49.2 -53.3 -52.2 31.9 -16.2 15.7 733 737 A D H < S+ 0 0 88 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.868 117.8 40.7 -60.2 -37.1 30.4 -18.5 13.0 734 738 A K H < S+ 0 0 133 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.862 128.8 25.6 -75.5 -39.1 33.9 -19.5 11.8 735 739 A W H >< S+ 0 0 19 -4,-2.7 3,-2.8 -5,-0.2 7,-0.3 0.412 77.2 112.3-115.9 1.0 35.7 -19.9 15.1 736 740 A H T 3< S+ 0 0 65 -4,-2.2 -1,-0.1 1,-0.3 -3,-0.1 0.730 79.7 57.3 -54.1 -25.7 33.2 -20.6 18.0 737 741 A Q T 3 S+ 0 0 120 -3,-0.2 2,-0.7 -5,-0.1 -1,-0.3 0.555 94.8 75.5 -81.6 -9.0 34.6 -24.2 18.5 738 742 A N <> - 0 0 22 -3,-2.8 4,-2.7 1,-0.2 3,-0.3 -0.860 61.4-170.1-112.6 97.7 38.1 -22.8 19.1 739 743 A G H > S+ 0 0 19 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.870 85.4 51.3 -54.9 -45.3 38.4 -21.2 22.6 740 744 A L H > S+ 0 0 27 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.879 113.6 45.2 -63.3 -38.1 41.8 -19.6 22.1 741 745 A V H >> S+ 0 0 1 -3,-0.3 3,-0.9 1,-0.2 4,-0.8 0.913 111.4 53.1 -70.5 -39.9 40.7 -18.0 18.9 742 746 A M H 3X S+ 0 0 0 -4,-2.7 4,-2.8 -7,-0.3 5,-0.2 0.787 94.3 71.1 -66.9 -25.8 37.4 -16.9 20.6 743 747 A D H 3X S+ 0 0 11 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.898 95.5 53.4 -54.3 -38.7 39.4 -15.2 23.4 744 748 A K H < S+ 0 0 33 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.941 114.0 47.3 -60.6 -47.8 33.6 -7.4 22.8 750 754 A A H 3< S+ 0 0 0 -4,-3.0 -2,-0.2 30,-0.3 -1,-0.2 0.768 115.5 43.5 -65.8 -31.0 34.9 -6.4 26.3 751 755 A T T 3< S+ 0 0 45 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.196 84.2 135.0-102.3 13.2 37.0 -3.4 25.1 752 756 A S < - 0 0 8 -3,-1.1 5,-0.1 -4,-0.2 -34,-0.1 -0.363 53.8-144.7 -65.5 139.1 34.3 -2.1 22.8 753 757 A P + 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 0.477 60.1 127.6 -78.2 -2.9 33.7 1.7 22.9 754 758 A A > - 0 0 7 1,-0.1 3,-1.6 -37,-0.1 4,-0.2 -0.221 69.3-125.6 -59.0 143.4 30.0 1.0 22.2 755 759 A A T 3 S+ 0 0 112 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.832 110.1 49.7 -56.6 -34.7 27.5 2.6 24.6 756 760 A N T 3> S+ 0 0 77 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.094 72.9 122.7 -94.2 22.6 25.9 -0.8 25.3 757 761 A V H <> S+ 0 0 9 -3,-1.6 4,-2.9 1,-0.2 -1,-0.2 0.874 72.7 49.6 -57.7 -42.5 29.1 -2.7 26.0 758 762 A L H > S+ 0 0 26 -3,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.935 110.0 51.3 -64.7 -43.6 28.2 -3.9 29.5 759 763 A E H > S+ 0 0 141 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 112.7 47.0 -52.8 -46.9 24.8 -5.2 28.3 760 764 A T H X S+ 0 0 40 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.934 111.7 49.9 -63.1 -48.1 26.7 -7.1 25.5 761 765 A V H X S+ 0 0 0 -4,-2.9 4,-0.6 2,-0.2 -2,-0.2 0.927 110.5 49.3 -56.9 -49.4 29.3 -8.5 28.0 762 766 A R H >< S+ 0 0 82 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.918 110.6 51.3 -55.5 -45.2 26.7 -9.7 30.4 763 767 A G H >< S+ 0 0 47 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.857 101.1 62.7 -60.1 -37.0 24.9 -11.4 27.5 764 768 A L H >< S+ 0 0 15 -4,-2.1 3,-1.6 1,-0.3 -1,-0.3 0.612 80.2 80.4 -69.0 -13.6 28.1 -13.1 26.5 765 769 A L T << S+ 0 0 33 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.725 98.3 46.2 -59.4 -19.5 28.2 -15.0 29.8 766 770 A Q T < S+ 0 0 167 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.354 87.1 128.9-101.3 2.8 25.7 -17.2 28.0 767 771 A H X - 0 0 25 -3,-1.6 3,-1.8 1,-0.1 -3,-0.0 -0.291 68.8-121.3 -65.1 143.4 27.7 -17.4 24.8 768 772 A R T 3 S+ 0 0 136 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.739 113.5 46.2 -51.5 -29.3 28.4 -20.9 23.3 769 773 A S T 3 S+ 0 0 14 -5,-0.1 2,-0.3 -27,-0.1 -1,-0.3 0.450 98.7 87.7 -97.3 -3.6 32.2 -20.3 23.5 770 774 A F < + 0 0 18 -3,-1.8 2,-0.3 -6,-0.2 -31,-0.0 -0.772 46.2 167.8 -99.5 142.7 32.2 -18.9 27.1 771 775 A T > - 0 0 57 -2,-0.3 3,-1.5 3,-0.2 7,-0.3 -0.946 36.1-144.4-150.8 137.4 32.5 -20.8 30.4 772 776 A M T 3 S+ 0 0 29 -2,-0.3 -1,-0.1 1,-0.3 6,-0.0 0.584 99.6 70.9 -67.0 -10.8 33.1 -19.8 34.0 773 777 A S T 3 S+ 0 0 51 1,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.533 88.1 71.9 -83.1 -6.2 35.1 -23.0 34.4 774 778 A N <> - 0 0 3 -3,-1.5 4,-2.5 1,-0.1 3,-0.4 -0.932 64.8-155.8-121.3 112.8 38.0 -21.8 32.2 775 779 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.834 96.3 55.4 -51.5 -38.9 40.5 -19.1 33.3 776 780 A N H > S+ 0 0 3 -524,-0.4 4,-2.1 2,-0.2 5,-0.1 0.932 110.5 44.3 -63.4 -44.3 41.3 -18.0 29.7 777 781 A R H > S+ 0 0 23 -3,-0.4 4,-1.7 2,-0.2 5,-0.4 0.925 113.8 51.3 -63.6 -44.0 37.6 -17.4 28.9 778 782 A I H X>S+ 0 0 1 -4,-2.5 5,-2.1 -7,-0.3 4,-1.3 0.935 113.3 44.3 -57.9 -48.0 37.1 -15.6 32.2 779 783 A R H <>S+ 0 0 62 -4,-2.7 5,-1.3 3,-0.2 -1,-0.2 0.850 112.1 52.7 -66.3 -33.9 40.2 -13.3 31.6 780 784 A S H <5S+ 0 0 12 -4,-2.1 -30,-0.3 -5,-0.2 -1,-0.2 0.754 125.2 21.5 -77.4 -26.7 39.2 -12.6 28.0 781 785 A L H X5S+ 0 0 0 -4,-1.7 4,-1.3 -3,-0.2 -3,-0.2 0.840 136.6 24.3-102.0 -64.2 35.7 -11.5 28.7 782 786 A I H X5S+ 0 0 0 -4,-1.3 4,-2.4 -5,-0.4 5,-0.3 0.936 125.7 47.2 -74.2 -48.3 35.4 -10.4 32.3 783 787 A G H >X + 0 0 17 -4,-1.2 4,-3.1 -5,-0.3 3,-0.8 -0.469 59.6 156.7-122.9 59.9 37.9 -1.0 29.3 790 794 A P H 3> S+ 0 0 16 0, 0.0 4,-2.7 0, 0.0 -159,-0.1 0.853 70.3 61.7 -57.6 -30.5 38.3 1.4 32.2 791 795 A A H 34 S+ 0 0 24 -161,-0.3 -160,-0.1 1,-0.2 -2,-0.1 0.899 115.2 32.6 -58.1 -41.4 35.9 3.9 30.6 792 796 A A H X4 S+ 0 0 16 -3,-0.8 3,-1.8 -7,-0.2 8,-0.3 0.862 116.9 54.8 -82.5 -40.3 33.1 1.4 30.7 793 797 A F H 3< S+ 0 0 0 -4,-3.1 8,-0.3 -8,-0.4 7,-0.2 0.897 112.4 45.8 -58.5 -37.3 34.2 -0.3 34.0 794 798 A H T 3< S+ 0 0 2 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 -0.018 81.1 158.6 -98.0 28.1 34.2 3.2 35.6 795 799 A A X - 0 0 24 -3,-1.8 3,-2.1 1,-0.1 6,-0.2 -0.227 51.4-119.9 -48.7 139.5 30.8 4.1 34.1 796 800 A E T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.762 110.0 63.0 -63.1 -25.6 29.4 6.9 36.3 797 801 A D T 3 S- 0 0 113 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.501 109.1-121.5 -77.1 -4.4 26.3 4.9 37.3 798 802 A G S <> S+ 0 0 4 -3,-2.1 4,-1.9 1,-0.1 3,-0.2 0.529 72.4 133.0 78.9 7.8 28.6 2.3 39.0 799 803 A S H > + 0 0 30 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.823 66.8 57.1 -61.2 -34.0 27.3 -0.5 36.8 800 804 A G H > S+ 0 0 0 -8,-0.3 4,-2.3 -7,-0.2 -1,-0.2 0.918 107.0 47.3 -64.6 -44.1 30.8 -1.8 36.1 801 805 A Y H > S+ 0 0 3 -8,-0.3 4,-2.6 -3,-0.2 -2,-0.2 0.910 111.0 51.7 -63.9 -42.2 31.6 -2.2 39.7 802 806 A L H X S+ 0 0 100 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.894 109.1 50.6 -63.5 -39.7 28.3 -4.1 40.4 803 807 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.942 110.6 48.7 -62.0 -48.0 29.0 -6.4 37.5 804 808 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.913 108.4 54.2 -61.6 -40.8 32.5 -7.2 38.8 805 809 A V H X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.926 108.1 50.2 -57.2 -44.9 31.1 -7.8 42.3 806 810 A E H X S+ 0 0 91 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.899 113.1 45.4 -58.4 -44.6 28.7 -10.4 40.8 807 811 A M H X S+ 0 0 18 -4,-2.2 4,-2.7 1,-0.2 3,-0.2 0.897 113.0 49.6 -68.3 -40.9 31.5 -12.2 38.9 808 812 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.772 101.3 63.3 -72.9 -26.6 33.8 -12.2 42.0 809 813 A T H X S+ 0 0 56 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.2 0.907 111.5 38.4 -61.7 -39.9 31.1 -13.6 44.2 810 814 A D H >X S+ 0 0 56 -4,-1.1 4,-1.9 -3,-0.2 3,-1.2 0.962 118.5 47.7 -67.9 -55.8 31.2 -16.7 42.0 811 815 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 8,-0.4 0.770 97.3 68.7 -67.7 -28.1 34.9 -16.8 41.5 812 816 A N H 3< S+ 0 0 5 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 0.867 113.4 32.4 -53.0 -38.4 35.8 -16.3 45.1 813 817 A S H << S+ 0 0 87 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.838 125.9 42.4 -85.7 -37.6 34.4 -19.8 45.7 814 818 A R H < S- 0 0 80 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.930 135.1 -5.6 -77.3 -50.0 35.3 -21.4 42.4 815 819 A N X - 0 0 5 -4,-2.4 4,-2.3 -5,-0.1 3,-0.4 -0.686 58.5-174.8-156.4 80.6 38.9 -20.2 41.7 816 820 A P H > S+ 0 0 26 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.807 84.4 59.2 -55.4 -33.5 40.3 -17.6 44.2 817 821 A Q H > S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.935 109.6 42.1 -64.3 -44.7 43.5 -17.1 42.1 818 822 A V H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.902 113.1 54.8 -67.3 -37.6 41.5 -16.0 39.1 819 823 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 -8,-0.4 -2,-0.2 0.925 107.4 50.2 -58.4 -44.7 39.2 -13.9 41.4 820 824 A S H X S+ 0 0 3 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.858 108.4 51.8 -66.6 -35.7 42.3 -12.2 42.8 821 825 A R H >< S+ 0 0 91 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.939 112.8 47.0 -57.9 -46.7 43.6 -11.4 39.3 822 826 A L H 3< S+ 0 0 5 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.675 101.7 62.5 -74.8 -21.8 40.2 -9.9 38.5 823 827 A I H >X S+ 0 0 0 -4,-1.6 3,-1.6 1,-0.2 4,-1.1 0.665 77.5 94.1 -77.6 -15.1 39.7 -7.7 41.6 824 828 A E G X< S+ 0 0 26 -3,-0.9 3,-0.7 -4,-0.5 4,-0.5 0.847 77.5 55.3 -48.4 -48.0 42.8 -5.6 40.8 825 829 A P G >4 S+ 0 0 23 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.814 106.6 53.6 -58.9 -25.1 40.9 -2.8 39.0 826 830 A L G X4 S+ 0 0 0 -3,-1.6 3,-1.0 -4,-0.2 -2,-0.2 0.791 98.4 61.4 -79.4 -28.9 38.7 -2.3 42.0 827 831 A I G << S+ 0 0 0 -4,-1.1 3,-0.4 -3,-0.7 -1,-0.2 0.551 88.6 73.8 -76.5 -3.5 41.7 -1.9 44.5 828 832 A R G X + 0 0 46 -3,-0.6 3,-2.3 -4,-0.5 -1,-0.2 0.203 59.8 123.2 -89.3 16.3 42.9 1.2 42.5 829 833 A L G X + 0 0 0 -3,-1.0 3,-2.1 1,-0.3 -1,-0.2 0.771 59.7 65.8 -52.5 -35.5 40.0 3.3 44.0 830 834 A K G 3 S+ 0 0 101 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.634 92.8 63.9 -66.7 -11.3 42.2 6.0 45.5 831 835 A R G < S+ 0 0 31 -3,-2.3 -203,-3.2 -204,-0.1 -1,-0.3 0.446 97.3 75.0 -84.2 -3.7 43.3 7.0 42.0 832 836 A Y S < S- 0 0 20 -3,-2.1 -203,-0.1 -205,-0.2 5,-0.0 -0.628 91.2 -83.1-114.1 167.3 39.7 8.1 41.1 833 837 A D > - 0 0 52 -205,-0.4 4,-3.0 -2,-0.2 5,-0.2 -0.124 48.6 -99.5 -65.9 163.6 37.3 11.0 42.0 834 838 A A H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.868 120.6 50.7 -54.0 -44.7 35.4 11.0 45.2 835 839 A K H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.918 114.1 44.7 -63.3 -44.6 32.1 9.8 43.7 836 840 A R H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.927 110.1 55.8 -63.5 -46.1 33.8 6.8 42.0 837 841 A Q H X S+ 0 0 39 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.901 105.7 51.8 -52.1 -44.9 35.8 6.0 45.2 838 842 A E H X S+ 0 0 114 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.923 111.8 45.0 -64.7 -40.3 32.6 5.8 47.3 839 843 A K H X S+ 0 0 78 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.896 115.0 48.1 -66.4 -40.3 31.0 3.3 44.8 840 844 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.911 110.8 51.8 -69.3 -38.9 34.2 1.2 44.6 841 845 A R H X S+ 0 0 42 -4,-2.9 4,-2.6 -5,-0.3 -2,-0.2 0.919 108.6 50.8 -59.7 -44.8 34.5 1.3 48.4 842 846 A A H X S+ 0 0 53 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.898 110.1 50.4 -59.0 -42.1 30.9 0.0 48.6 843 847 A A H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.936 111.2 47.4 -62.4 -47.7 31.8 -2.8 46.2 844 848 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.889 109.9 53.5 -61.5 -40.2 34.8 -3.8 48.2 845 849 A E H X S+ 0 0 112 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.870 107.0 52.1 -62.3 -38.9 32.8 -3.7 51.4 846 850 A Q H >< S+ 0 0 115 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.942 112.0 46.0 -61.4 -47.8 30.2 -6.1 49.8 847 851 A L H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.877 105.1 60.5 -62.2 -38.8 33.0 -8.5 48.9 848 852 A K H 3< S+ 0 0 113 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.796 102.7 54.5 -59.7 -27.8 34.6 -8.2 52.3 849 853 A G T << S+ 0 0 64 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.368 79.3 129.8 -89.7 4.6 31.4 -9.6 53.8 850 854 A L X - 0 0 37 -3,-1.9 3,-1.0 -4,-0.1 2,-0.2 -0.335 66.1-113.8 -62.0 136.8 31.3 -12.8 51.6 851 855 A E T 3 S+ 0 0 163 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.0 -0.503 103.9 13.2 -61.0 137.8 30.7 -16.0 53.4 852 856 A N T 3 S- 0 0 126 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.901 87.0-166.2 56.6 46.5 34.0 -18.1 53.0 853 857 A L < - 0 0 40 -3,-1.0 -1,-0.2 -5,-0.1 -5,-0.0 -0.476 21.0-119.9 -61.8 125.7 36.0 -15.1 51.7 854 858 A S > - 0 0 14 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.347 9.7-124.8 -67.2 149.2 39.3 -16.5 50.2 855 859 A G H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.875 111.5 63.1 -57.0 -36.7 42.6 -15.4 51.7 856 860 A D H > S+ 0 0 15 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.943 112.0 33.2 -55.8 -51.6 43.5 -14.3 48.2 857 861 A L H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.865 112.7 62.0 -74.3 -38.1 40.7 -11.7 48.1 858 862 A Y H X S+ 0 0 79 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.909 102.2 52.0 -52.2 -46.2 41.0 -10.9 51.8 859 863 A E H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.927 115.3 39.7 -60.0 -47.4 44.5 -9.7 51.4 860 864 A K H X S+ 0 0 14 -4,-1.0 4,-2.4 -5,-0.2 -2,-0.2 0.914 115.7 50.6 -69.8 -42.5 43.7 -7.3 48.6 861 865 A I H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.922 110.3 48.9 -63.8 -45.5 40.4 -6.0 50.0 862 866 A T H X S+ 0 0 38 -4,-2.5 4,-0.8 -5,-0.3 -1,-0.2 0.920 113.2 47.1 -64.3 -41.3 41.8 -5.2 53.4 863 867 A K H >< S+ 0 0 57 -4,-1.6 3,-0.6 -5,-0.3 -1,-0.2 0.916 113.1 49.9 -62.5 -42.0 44.7 -3.3 51.9 864 868 A A H 3< S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.851 113.3 44.8 -65.7 -36.3 42.3 -1.4 49.5 865 869 A L H 3< 0 0 37 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.521 360.0 360.0 -88.3 -8.8 39.9 -0.4 52.3 866 870 A A << 0 0 122 -4,-0.8 -3,-0.0 -3,-0.6 -4,-0.0 -0.265 360.0 360.0 -66.7 360.0 42.7 0.7 54.7 867 ! 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 0.0 868 900 A Y 0 0 8 0, 0.0 -609,-0.2 0, 0.0 -574,-0.0 0.000 360.0 360.0 360.0 360.0 55.8 -20.0 36.6