==== 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 31-JAN-11 3QJX . COMPND 2 MOLECULE: AMINOPEPTIDASE N; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.ADDLAGATTA,R.GUMPENA,C.KISHOR,R.J.GANJI . 866 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 631 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 3.6 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 . 63 7.3 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 . 297 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 1 3 1 0 2 1 4 2 1 1 2 1 2 1 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 1 1 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 91 0, 0.0 2,-0.3 0, 0.0 366,-0.1 0.000 360.0 360.0 360.0 122.8 -76.0 15.4 -29.1 2 6 A Q - 0 0 179 364,-0.1 2,-0.2 1,-0.0 363,-0.0 -0.727 360.0-116.3 -96.8 154.7 -72.7 14.4 -30.8 3 7 A A - 0 0 16 -2,-0.3 2,-0.3 364,-0.0 363,-0.2 -0.517 19.0-146.6 -75.8 148.4 -69.7 12.7 -29.2 4 8 A K E -A 365 0A 150 361,-2.8 361,-2.5 -2,-0.2 2,-0.4 -0.895 15.5-144.9-115.3 147.7 -66.3 14.3 -28.9 5 9 A Y E > -A 364 0A 85 -2,-0.3 3,-2.0 359,-0.2 359,-0.2 -0.918 17.2-136.9-125.2 140.1 -63.1 12.2 -29.0 6 10 A R G > S+ 0 0 68 357,-2.2 3,-1.7 -2,-0.4 -1,-0.1 0.850 104.6 60.4 -55.7 -39.8 -59.8 12.5 -27.3 7 11 A H G 3 S+ 0 0 130 356,-0.4 -1,-0.3 1,-0.3 357,-0.1 0.627 94.7 66.1 -71.5 -7.2 -57.9 11.7 -30.5 8 12 A D G < S+ 0 0 89 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.408 70.8 131.7 -89.7 4.7 -59.4 14.8 -32.1 9 13 A Y < + 0 0 54 -3,-1.7 2,-0.3 -4,-0.2 299,-0.0 -0.274 29.0 171.0 -57.9 132.1 -57.6 17.2 -29.8 10 14 A R - 0 0 169 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.989 40.3 -98.3-137.6 150.0 -55.9 20.0 -31.6 11 15 A A - 0 0 72 -2,-0.3 2,-0.1 1,-0.1 30,-0.0 -0.158 55.5 -94.3 -59.0 146.9 -54.2 23.2 -30.4 12 16 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 -0.396 17.3-135.3 -69.6 150.1 -56.6 26.2 -30.6 13 17 A D S S+ 0 0 78 28,-0.1 28,-3.1 34,-0.1 29,-2.4 0.757 92.4 29.6 -70.2 -28.6 -56.6 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 -0.976 68.3-156.6-131.7 145.6 -56.7 31.5 -31.2 15 19 A Q E -B 39 0B 41 24,-2.9 24,-2.8 -2,-0.4 2,-0.4 -0.880 9.2-146.2-108.9 157.0 -55.5 32.2 -27.7 16 20 A I E -B 38 0B 1 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.986 14.8-179.9-115.4 130.7 -56.8 34.7 -25.3 17 21 A T E + 0 0 47 20,-2.6 119,-2.4 -2,-0.4 2,-0.3 0.671 66.9 13.6-100.3 -28.5 -54.1 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 -0.991 58.6-168.6-153.4 138.8 -56.1 38.6 -20.8 19 23 A I E -Bc 36 137B 3 117,-2.6 119,-2.0 -2,-0.3 2,-0.6 -0.992 6.6-161.9-138.4 132.5 -59.8 39.2 -20.2 20 24 A D E -Bc 35 138B 60 15,-2.6 15,-2.7 -2,-0.4 2,-0.4 -0.973 19.0-167.6-112.6 113.2 -61.3 42.2 -18.4 21 25 A L E -Bc 34 139B 0 117,-3.1 119,-3.2 -2,-0.6 2,-0.4 -0.837 11.0-170.2-106.0 141.6 -64.9 41.3 -17.2 22 26 A T E -Bc 33 140B 27 11,-2.6 11,-2.6 -2,-0.4 2,-0.5 -0.998 5.0-164.6-126.3 132.6 -67.6 43.7 -16.0 23 27 A F E -Bc 32 141B 0 117,-2.8 119,-2.9 -2,-0.4 2,-1.0 -0.962 12.2-164.8-113.1 119.8 -70.8 42.4 -14.4 24 28 A D E -Bc 31 142B 62 7,-2.9 7,-2.1 -2,-0.5 2,-0.3 -0.889 37.1-147.9 -96.4 95.9 -73.8 44.7 -14.0 25 29 A L + 0 0 8 117,-3.0 119,-0.4 -2,-1.0 2,-0.3 -0.555 38.3 142.1 -83.0 138.7 -75.4 42.3 -11.6 26 30 A D - 0 0 73 -2,-0.3 71,-0.2 117,-0.1 -2,-0.1 -0.935 49.4-126.4-163.6 141.2 -79.1 41.7 -11.1 27 31 A A S S+ 0 0 12 -2,-0.3 70,-3.0 1,-0.2 71,-0.3 0.852 109.9 39.1 -64.5 -34.1 -80.9 38.4 -10.5 28 32 A Q S S+ 0 0 129 1,-0.3 2,-0.3 68,-0.2 -1,-0.2 0.894 133.4 9.2 -80.5 -39.0 -83.3 39.0 -13.4 29 33 A K - 0 0 120 66,-0.1 2,-0.4 67,-0.1 -1,-0.3 -0.878 65.1-175.3-148.8 108.2 -81.0 40.5 -16.0 30 34 A T E - D 0 94B 0 64,-3.0 64,-2.3 -2,-0.3 2,-0.5 -0.887 15.7-147.4-103.6 135.8 -77.2 40.7 -15.6 31 35 A V E -BD 24 93B 38 -7,-2.1 -7,-2.9 -2,-0.4 2,-0.5 -0.912 12.5-163.4-104.7 124.2 -75.2 42.5 -18.3 32 36 A V E -BD 23 92B 0 60,-3.1 60,-2.5 -2,-0.5 2,-0.5 -0.926 6.6-170.4-109.5 127.2 -71.7 41.1 -18.9 33 37 A T E -BD 22 91B 32 -11,-2.6 -11,-2.6 -2,-0.5 2,-0.5 -0.990 10.0-173.9-112.7 128.4 -69.0 43.1 -20.8 34 38 A A E -BD 21 90B 3 56,-2.9 56,-2.5 -2,-0.5 2,-0.6 -0.973 10.1-171.2-129.6 119.0 -66.0 41.1 -21.7 35 39 A V E -BD 20 89B 34 -15,-2.7 -15,-2.6 -2,-0.5 2,-0.4 -0.948 15.3-175.9-113.7 111.7 -62.8 42.6 -23.2 36 40 A S E -BD 19 88B 2 52,-2.9 52,-3.2 -2,-0.6 2,-0.6 -0.893 24.4-141.1-112.7 140.0 -60.4 39.9 -24.3 37 41 A Q E -BD 18 87B 72 -19,-2.9 -20,-2.6 -2,-0.4 -19,-0.8 -0.863 33.6-171.0 -96.0 114.8 -56.9 40.3 -25.8 38 42 A A E -BD 16 86B 2 48,-3.0 48,-2.0 -2,-0.6 2,-0.4 -0.820 18.3-166.1-115.1 154.4 -56.6 37.6 -28.5 39 43 A V E -BD 15 85B 16 -24,-2.8 -24,-2.9 -2,-0.3 2,-0.4 -0.991 20.4-132.2-136.8 132.2 -53.8 36.2 -30.6 40 44 A R E +B 14 0B 29 44,-3.3 -26,-0.3 -2,-0.4 -27,-0.1 -0.594 29.1 166.5 -86.5 132.6 -54.2 34.1 -33.7 41 45 A H + 0 0 126 -28,-3.1 -27,-0.2 -2,-0.4 -1,-0.2 0.639 59.3 64.2-112.9 -18.8 -52.0 31.0 -33.8 42 46 A G S S- 0 0 28 -29,-2.4 -29,-0.0 1,-0.3 -2,-0.0 0.058 101.9 -36.4 -94.3-159.0 -53.7 29.1 -36.6 43 47 A A > - 0 0 56 1,-0.1 3,-2.7 2,-0.1 -1,-0.3 -0.258 55.5-117.0 -65.1 143.2 -54.2 29.8 -40.3 44 48 A S T 3 S+ 0 0 97 1,-0.3 38,-0.2 -3,-0.1 -1,-0.1 0.760 114.4 48.3 -41.0 -37.8 -54.8 33.3 -41.4 45 49 A D T 3 S+ 0 0 145 36,-0.1 -1,-0.3 35,-0.1 36,-0.1 0.162 82.7 115.9 -93.5 5.9 -58.2 32.5 -42.7 46 50 A A < - 0 0 12 -3,-2.7 36,-0.3 -33,-0.1 2,-0.2 -0.654 61.1-133.4 -81.4 131.7 -59.4 30.6 -39.7 47 51 A P - 0 0 24 0, 0.0 2,-0.6 0, 0.0 33,-0.2 -0.536 20.7-109.3 -79.0 161.3 -62.4 32.2 -37.9 48 52 A L E -I 79 0C 0 31,-2.8 31,-3.0 -2,-0.2 2,-0.6 -0.772 33.0-159.2 -83.5 122.5 -62.5 32.7 -34.1 49 53 A R E -I 78 0C 139 -2,-0.6 2,-0.5 29,-0.2 29,-0.2 -0.906 9.1-169.9-110.0 113.9 -65.2 30.2 -32.8 50 54 A L E -I 77 0C 1 27,-2.8 27,-2.2 -2,-0.6 2,-0.3 -0.904 17.6-130.6-102.3 134.1 -66.4 31.2 -29.3 51 55 A N E +IJ 76 127C 40 76,-2.7 76,-2.3 -2,-0.5 2,-0.3 -0.625 35.3 160.9 -78.6 142.9 -68.6 28.9 -27.2 52 56 A G - 0 0 4 23,-1.7 2,-0.4 -2,-0.3 71,-0.2 -0.946 17.9-168.5-159.9 142.9 -71.8 30.4 -25.7 53 57 A E S S- 0 0 69 69,-2.6 21,-0.0 -2,-0.3 -2,-0.0 -0.998 72.7 -8.2-136.9 129.0 -75.0 28.9 -24.4 54 58 A D S S+ 0 0 136 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.886 90.2 145.7 56.3 44.0 -78.2 30.8 -23.5 55 59 A L - 0 0 22 39,-0.1 2,-0.8 -3,-0.1 -1,-0.2 -0.906 47.5-141.7-107.8 143.0 -76.7 34.2 -24.0 56 60 A K E -E 93 0B 135 37,-2.4 37,-2.2 -2,-0.4 2,-0.3 -0.918 26.0-142.4-101.0 107.3 -78.5 37.3 -25.4 57 61 A L E +E 92 0B 32 -2,-0.8 35,-0.3 35,-0.2 3,-0.1 -0.563 26.9 172.8 -71.0 128.4 -75.8 39.0 -27.6 58 62 A V E - 0 0 73 33,-3.0 2,-0.3 1,-0.4 34,-0.2 0.798 61.7 -15.4-101.3 -44.7 -75.9 42.8 -27.4 59 63 A S E -E 91 0B 31 32,-1.7 32,-2.1 2,-0.0 2,-0.4 -0.995 44.7-152.3-162.4 156.6 -72.8 43.8 -29.4 60 64 A V E +E 90 0B 8 -2,-0.3 7,-2.6 30,-0.2 2,-0.4 -0.996 20.6 176.0-132.8 120.4 -69.5 42.6 -30.9 61 65 A H E -EF 89 66B 40 28,-2.5 28,-2.9 -2,-0.4 2,-0.5 -0.966 17.0-160.8-125.5 148.1 -66.5 44.9 -31.4 62 66 A I E > S-EF 88 65B 3 3,-2.3 3,-2.3 -2,-0.4 26,-0.2 -0.995 88.4 -14.5-126.2 118.2 -63.0 44.2 -32.6 63 67 A N T 3 S- 0 0 86 24,-3.0 -1,-0.1 -2,-0.5 25,-0.1 0.893 130.4 -56.1 49.0 45.3 -60.5 47.0 -31.7 64 68 A D T 3 S+ 0 0 126 23,-0.4 -1,-0.3 1,-0.2 24,-0.1 0.386 111.9 125.2 70.7 3.1 -63.6 49.2 -30.8 65 69 A E E < S-F 62 0B 116 -3,-2.3 -3,-2.3 1,-0.0 -1,-0.2 -0.798 70.2-119.1 -92.3 121.7 -65.0 48.7 -34.4 66 70 A P E -F 61 0B 75 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.442 39.5-131.0 -56.8 128.2 -68.5 47.3 -34.4 67 71 A W + 0 0 50 -7,-2.6 -7,-0.2 1,-0.1 3,-0.1 -0.676 34.3 176.2 -97.8 138.1 -68.0 44.0 -36.3 68 72 A T + 0 0 138 -2,-0.4 2,-1.6 1,-0.1 -1,-0.1 0.613 64.2 83.3-107.6 -16.3 -70.1 42.9 -39.2 69 73 A A S S+ 0 0 25 11,-0.2 11,-2.9 12,-0.1 2,-0.3 -0.510 74.7 90.8 -94.1 72.2 -68.2 39.6 -40.1 70 74 A W E -K 79 0C 95 -2,-1.6 2,-0.3 9,-0.2 9,-0.2 -0.988 47.4-167.4-152.2 161.9 -69.8 37.2 -37.7 71 75 A K E -K 78 0C 109 7,-2.1 7,-3.1 -2,-0.3 2,-0.4 -0.986 20.6-128.7-149.0 149.1 -72.7 34.8 -37.2 72 76 A E E +K 77 0C 87 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.837 31.4 172.6 -90.1 139.1 -74.3 33.0 -34.4 73 77 A E E > -K 76 0C 91 3,-2.6 3,-2.4 -2,-0.4 2,-0.2 -0.808 51.8 -53.7-132.0 179.7 -74.7 29.2 -34.8 74 78 A E T 3 S- 0 0 198 1,-0.3 -21,-0.1 -2,-0.3 3,-0.1 -0.338 125.8 -8.2 -59.4 121.3 -75.9 26.5 -32.3 75 79 A G T 3 S+ 0 0 21 -2,-0.2 -23,-1.7 1,-0.1 2,-0.3 0.626 125.7 75.1 78.2 0.2 -73.6 26.9 -29.2 76 80 A A E < -IK 51 73C 17 -3,-2.4 -3,-2.6 -25,-0.3 2,-0.5 -0.998 60.6-146.8-149.1 158.7 -71.2 29.4 -30.9 77 81 A L E -IK 50 72C 0 -27,-2.2 -27,-2.8 -2,-0.3 2,-0.6 -0.994 28.2-159.8-122.3 121.6 -70.4 32.9 -32.1 78 82 A V E -IK 49 71C 4 -7,-3.1 -7,-2.1 -2,-0.5 2,-0.5 -0.919 5.7-167.6-111.4 117.7 -68.2 32.6 -35.2 79 83 A I E -IK 48 70C 0 -31,-3.0 -31,-2.8 -2,-0.6 -9,-0.2 -0.909 8.5-164.4-115.5 125.4 -66.2 35.7 -36.0 80 84 A S + 0 0 44 -11,-2.9 -11,-0.2 -2,-0.5 -12,-0.1 -0.584 54.0 28.4-106.8 162.9 -64.4 36.0 -39.4 81 85 A N S S+ 0 0 131 -2,-0.2 -1,-0.2 1,-0.2 -36,-0.1 0.848 74.9 168.5 63.4 47.6 -61.6 38.1 -41.0 82 86 A L - 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0 0 136 -3,-1.4 2,-0.4 -4,-0.2 -3,-0.0 -0.350 37.4-166.5 -56.9 135.9 -68.7 4.8 26.6 661 665 A Q - 0 0 28 1,-0.1 -2,-0.1 13,-0.0 -1,-0.0 -0.987 16.9-166.0-129.7 120.5 -67.2 8.4 26.6 662 666 A S S S+ 0 0 78 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.899 77.5 61.2 -74.9 -35.0 -68.7 11.2 28.6 663 667 A E S S- 0 0 120 2,-0.0 2,-0.5 1,-0.0 41,-0.0 -0.698 79.8-138.9 -88.0 141.7 -66.8 14.0 26.8 664 668 A Y + 0 0 31 -2,-0.3 2,-0.4 40,-0.1 -388,-0.1 -0.909 29.8 169.7 -99.0 124.0 -67.3 14.4 23.1 665 669 A R - 0 0 97 -2,-0.5 2,-1.6 2,-0.1 -2,-0.0 -1.000 39.7-138.3-133.7 138.4 -64.1 15.1 21.1 666 670 A V + 0 0 38 -2,-0.4 2,-0.4 4,-0.1 3,-0.1 -0.624 66.4 126.3 -88.4 76.2 -63.4 15.2 17.3 667 671 A E > - 0 0 108 -2,-1.6 4,-2.7 1,-0.1 3,-0.3 -0.990 69.9-121.4-139.0 140.8 -60.1 13.4 18.0 668 672 A H H > S+ 0 0 68 -2,-0.4 4,-2.4 1,-0.3 5,-0.2 0.824 109.4 50.2 -65.9 -35.1 -59.1 10.2 16.3 669 673 A E H > S+ 0 0 163 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.922 115.4 44.7 -66.6 -39.3 -58.8 8.0 19.4 670 674 A D H > S+ 0 0 16 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.890 111.4 52.2 -67.9 -40.9 -62.2 9.1 20.6 671 675 A I H X S+ 0 0 14 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.928 108.6 52.7 -61.8 -38.6 -63.8 8.7 17.1 672 676 A A H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.913 110.6 45.9 -65.2 -45.8 -62.3 5.1 17.0 673 677 A K H X S+ 0 0 72 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.910 115.2 47.6 -65.1 -36.2 -63.9 4.2 20.4 674 678 A R H X S+ 0 0 5 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.883 109.4 52.0 -68.3 -41.1 -67.2 5.7 19.4 675 679 A T H X S+ 0 0 45 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.903 113.2 46.5 -63.4 -38.1 -67.2 4.0 16.0 676 680 A L H X S+ 0 0 13 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 111.6 50.8 -68.6 -43.0 -66.6 0.6 17.8 677 681 A R H X S+ 0 0 29 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.939 113.8 44.1 -59.3 -44.1 -69.4 1.4 20.4 678 682 A N H X S+ 0 0 21 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.809 108.0 57.9 -76.5 -24.0 -71.9 2.2 17.7 679 683 A A H X S+ 0 0 8 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.904 110.4 45.4 -65.3 -39.3 -70.8 -0.9 15.6 680 684 A C H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 3,-0.3 0.924 109.4 54.8 -68.0 -43.6 -71.8 -2.9 18.7 681 685 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.876 102.0 58.7 -56.6 -37.8 -75.0 -0.9 19.1 682 686 A R H < S+ 0 0 84 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.929 111.0 40.5 -60.5 -45.3 -76.0 -1.8 15.5 683 687 A F H >< S+ 0 0 8 -4,-1.3 3,-2.1 -3,-0.3 -1,-0.2 0.924 112.6 55.3 -67.3 -44.8 -75.8 -5.5 16.3 684 688 A L H >< S+ 0 0 11 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.858 99.6 61.7 -60.2 -31.9 -77.5 -5.1 19.8 685 689 A A T 3< S+ 0 0 2 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.721 104.3 48.8 -60.9 -25.7 -80.4 -3.3 18.0 686 690 A F T < S+ 0 0 13 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.138 101.9 81.2 -99.2 10.5 -81.1 -6.6 16.1 687 691 A G S < S- 0 0 19 -3,-1.9 -41,-0.1 1,-0.3 -3,-0.1 0.034 100.8 -14.9 -91.1-150.2 -80.9 -8.7 19.4 688 692 A E S > S- 0 0 129 -43,-0.1 4,-2.4 1,-0.1 -1,-0.3 -0.301 70.1-130.9 -56.5 129.2 -83.7 -9.2 21.9 689 693 A T H > S+ 0 0 78 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.835 98.2 47.2 -57.0 -49.9 -86.4 -6.6 21.2 690 694 A H H > S+ 0 0 131 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.961 116.2 43.8 -64.5 -47.2 -87.0 -5.1 24.7 691 695 A L H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 115.6 50.9 -58.0 -47.1 -83.2 -4.7 25.5 692 696 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.934 110.4 48.0 -56.2 -47.4 -82.7 -3.3 22.0 693 697 A D H X S+ 0 0 35 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.909 114.9 46.0 -66.0 -38.5 -85.5 -0.7 22.3 694 698 A V H X S+ 0 0 66 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.926 114.4 46.2 -67.5 -47.5 -84.3 0.4 25.7 695 699 A L H X S+ 0 0 20 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.928 117.9 43.3 -60.4 -47.6 -80.5 0.7 24.6 696 700 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.934 114.8 46.3 -73.1 -44.5 -81.4 2.5 21.4 697 701 A S H X S+ 0 0 31 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.934 114.3 50.1 -62.8 -39.3 -84.0 5.0 22.9 698 702 A K H X S+ 0 0 105 -4,-2.4 4,-3.0 -5,-0.3 5,-0.3 0.938 110.9 48.4 -65.0 -42.7 -81.7 5.8 25.9 699 703 A Q H X S+ 0 0 9 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.905 111.3 50.8 -66.3 -40.2 -78.7 6.5 23.5 700 704 A F H < S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.943 117.9 38.1 -58.8 -46.9 -80.9 8.7 21.3 701 705 A H H < S+ 0 0 100 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.837 121.7 42.7 -81.0 -27.4 -82.2 10.8 24.3 702 706 A E H < S+ 0 0 128 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.581 83.6 121.6 -94.1 -11.4 -78.9 10.8 26.3 703 707 A A < - 0 0 29 -4,-1.7 3,-0.0 -5,-0.3 -3,-0.0 -0.241 45.5-163.8 -51.7 141.2 -76.5 11.5 23.4 704 708 A N S S+ 0 0 85 -42,-0.0 2,-0.3 -41,-0.0 -1,-0.1 0.095 74.4 37.0-109.6 22.0 -74.4 14.7 23.7 705 709 A N S > S- 0 0 7 -428,-0.1 4,-1.9 1,-0.1 -428,-0.2 -0.980 84.1-112.2-166.4 154.7 -73.5 14.7 20.0 706 710 A M H > S+ 0 0 4 -430,-2.6 4,-2.8 -427,-0.5 5,-0.3 0.773 108.3 67.0 -69.8 -24.7 -75.1 13.9 16.7 707 711 A T H > S+ 0 0 18 -428,-0.4 4,-2.2 -431,-0.3 -1,-0.2 0.965 110.1 36.4 -60.4 -49.7 -72.8 10.9 15.9 708 712 A D H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.890 117.3 51.6 -74.0 -34.2 -74.4 8.9 18.9 709 713 A A H X S+ 0 0 15 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.927 114.0 43.3 -64.8 -47.4 -77.9 10.3 18.4 710 714 A L H X S+ 0 0 31 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.885 109.7 56.8 -70.0 -33.9 -78.0 9.4 14.6 711 715 A A H X S+ 0 0 24 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.932 112.2 43.4 -63.7 -39.0 -76.4 5.9 15.3 712 716 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.956 115.1 47.7 -71.7 -42.4 -79.3 5.2 17.7 713 717 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.921 112.3 49.6 -62.6 -43.3 -82.0 6.7 15.3 714 718 A S H X S+ 0 0 23 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.882 110.3 50.8 -63.2 -37.5 -80.5 4.7 12.4 715 719 A A H X S+ 0 0 1 -4,-2.1 4,-2.7 -5,-0.2 6,-0.2 0.874 107.7 54.0 -66.7 -39.5 -80.5 1.4 14.4 716 720 A A H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.4 0.908 114.0 41.1 -62.4 -41.5 -84.2 2.1 15.4 717 721 A V H ><5S+ 0 0 6 -4,-2.1 3,-0.9 3,-0.2 -2,-0.2 0.942 115.5 49.6 -71.1 -44.2 -85.2 2.4 11.7 718 722 A A H 3<5S+ 0 0 13 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.886 120.1 36.1 -64.2 -36.5 -82.9 -0.5 10.5 719 723 A A T 3<5S- 0 0 9 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.398 104.6-128.6 -99.2 4.9 -84.3 -3.0 13.2 720 724 A Q T < 5 - 0 0 90 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.930 41.6-174.3 46.6 53.2 -87.8 -1.5 13.1 721 725 A L > < - 0 0 10 -5,-2.2 3,-2.1 -6,-0.2 4,-0.3 -0.357 37.6-108.7 -77.9 156.8 -87.8 -1.1 16.8 722 726 A P T > S+ 0 0 90 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.868 117.4 54.4 -52.0 -38.1 -90.9 0.0 18.8 723 727 A C T 3> S+ 0 0 13 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.563 81.3 98.3 -73.3 -4.0 -89.4 3.4 19.5 724 728 A R H <> S+ 0 0 55 -3,-2.1 4,-2.8 -8,-0.3 5,-0.2 0.863 81.2 43.8 -58.1 -53.2 -88.7 4.2 15.9 725 729 A D H <> S+ 0 0 105 -3,-0.5 4,-2.3 -4,-0.3 -1,-0.2 0.923 114.7 49.4 -67.6 -34.3 -91.7 6.4 15.1 726 730 A A H > S+ 0 0 51 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.931 113.8 45.4 -63.1 -48.4 -91.5 8.4 18.3 727 731 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.900 112.9 51.6 -61.9 -42.6 -87.7 9.1 17.8 728 732 A M H X S+ 0 0 9 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.919 112.2 45.3 -63.0 -38.9 -88.2 9.9 14.1 729 733 A Q H X S+ 0 0 96 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.919 110.4 54.7 -70.4 -36.4 -91.0 12.4 14.9 730 734 A E H X S+ 0 0 82 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.903 109.4 48.2 -58.3 -43.7 -88.8 13.9 17.7 731 735 A Y H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.933 111.2 48.7 -66.5 -43.2 -86.0 14.5 15.3 732 736 A D H X S+ 0 0 11 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.940 112.0 49.4 -58.0 -49.5 -88.3 16.2 12.7 733 737 A D H < S+ 0 0 89 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.880 117.6 40.9 -60.2 -37.5 -89.8 18.5 15.4 734 738 A K H < S+ 0 0 136 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.858 129.8 23.0 -74.2 -37.0 -86.4 19.5 16.6 735 739 A W H >< S+ 0 0 19 -4,-2.6 3,-2.9 -5,-0.2 7,-0.3 0.377 77.2 113.7-119.8 3.4 -84.5 19.9 13.3 736 740 A H T 3< S+ 0 0 65 -4,-2.1 -1,-0.1 1,-0.3 -3,-0.1 0.770 80.1 57.3 -57.4 -24.8 -87.0 20.5 10.4 737 741 A Q T 3 S+ 0 0 122 -3,-0.2 2,-0.7 -5,-0.2 -1,-0.3 0.572 93.9 74.9 -77.9 -8.5 -85.6 24.1 9.9 738 742 A N <> - 0 0 20 -3,-2.9 4,-2.5 1,-0.2 3,-0.2 -0.880 63.1-168.9-111.6 102.6 -82.1 22.8 9.3 739 743 A G H > S+ 0 0 19 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.879 85.2 52.5 -61.3 -41.5 -81.8 21.2 5.8 740 744 A L H > S+ 0 0 27 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.884 112.9 44.7 -63.4 -39.0 -78.4 19.6 6.4 741 745 A V H >> S+ 0 0 1 -3,-0.2 4,-0.8 1,-0.2 3,-0.8 0.903 111.5 53.6 -68.9 -39.1 -79.6 17.9 9.6 742 746 A M H 3X S+ 0 0 0 -4,-2.5 4,-2.9 -7,-0.3 3,-0.4 0.779 94.7 70.7 -68.6 -24.4 -82.8 16.8 7.8 743 747 A D H 3X S+ 0 0 25 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.892 95.6 52.7 -57.6 -34.4 -80.8 15.2 5.0 744 748 A K H < S+ 0 0 33 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.921 114.5 46.7 -64.4 -45.7 -86.6 7.3 5.6 750 754 A A H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.750 116.2 43.1 -68.6 -28.5 -85.4 6.4 2.1 751 755 A T T 3< S+ 0 0 44 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.168 84.1 133.0-100.1 10.8 -83.3 3.5 3.2 752 756 A S < - 0 0 8 -3,-1.2 5,-0.1 1,-0.1 -34,-0.1 -0.381 55.2-142.5 -65.1 143.5 -85.9 2.0 5.7 753 757 A P + 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -35,-0.1 0.432 61.5 126.6 -79.0 -4.2 -86.5 -1.7 5.5 754 758 A A > - 0 0 8 1,-0.1 3,-1.9 -37,-0.1 -2,-0.0 -0.270 69.9-125.1 -58.8 149.0 -90.3 -1.1 6.2 755 759 A A T 3 S+ 0 0 113 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.819 109.8 51.0 -64.1 -29.5 -92.7 -2.6 3.7 756 760 A N T 3> S+ 0 0 75 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.118 71.6 122.0 -96.4 23.7 -94.3 0.8 3.0 757 761 A V H <> S+ 0 0 8 -3,-1.9 4,-3.1 1,-0.2 5,-0.2 0.871 72.8 50.6 -55.4 -42.9 -91.0 2.7 2.3 758 762 A L H > S+ 0 0 25 -3,-0.4 4,-3.0 1,-0.2 5,-0.2 0.949 110.2 49.6 -66.2 -39.7 -92.0 3.9 -1.2 759 763 A E H > S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 112.9 48.0 -60.2 -39.7 -95.3 5.3 -0.0 760 764 A T H X S+ 0 0 38 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.929 112.0 49.4 -65.4 -48.4 -93.4 7.1 2.8 761 765 A V H X S+ 0 0 0 -4,-3.1 4,-0.7 2,-0.2 -2,-0.2 0.926 110.2 49.7 -56.4 -46.3 -90.8 8.4 0.4 762 766 A R H >< S+ 0 0 85 -4,-3.0 3,-1.2 1,-0.2 4,-0.2 0.932 110.2 51.4 -59.4 -42.9 -93.5 9.7 -2.1 763 767 A G H >< S+ 0 0 46 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.855 100.7 63.3 -59.9 -37.6 -95.3 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 0.647 80.6 80.2 -70.0 -10.9 -92.0 13.1 1.9 765 769 A L T << S+ 0 0 31 -3,-1.2 -1,-0.3 -4,-0.7 7,-0.2 0.724 98.2 45.6 -58.7 -23.2 -92.0 15.0 -1.5 766 770 A Q T < S+ 0 0 163 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.299 86.7 128.0 -98.6 7.9 -94.4 17.2 0.4 767 771 A H X - 0 0 26 -3,-1.7 3,-1.9 1,-0.1 -3,-0.0 -0.335 68.9-121.8 -67.1 143.2 -92.5 17.5 3.6 768 772 A R T 3 S+ 0 0 139 1,-0.3 -1,-0.1 3,-0.0 -4,-0.0 0.731 113.3 46.8 -52.0 -29.5 -91.7 21.0 5.0 769 773 A S T 3 S+ 0 0 14 -5,-0.1 2,-0.3 -27,-0.1 -1,-0.3 0.419 99.3 85.7 -95.2 -5.1 -88.0 20.3 4.8 770 774 A F < + 0 0 18 -3,-1.9 2,-0.3 -6,-0.2 8,-0.0 -0.782 46.7 166.7 -97.5 144.7 -87.9 18.9 1.2 771 775 A T > - 0 0 56 -2,-0.3 3,-1.6 3,-0.2 7,-0.3 -0.925 36.3-143.4-153.0 140.9 -87.7 20.7 -2.1 772 776 A M T 3 S+ 0 0 27 -2,-0.3 -1,-0.1 1,-0.3 6,-0.0 0.568 99.5 70.5 -70.0 -9.3 -87.0 19.7 -5.6 773 777 A S T 3 S+ 0 0 51 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.575 88.6 73.0 -84.8 -5.1 -85.1 22.9 -6.1 774 778 A N <> - 0 0 5 -3,-1.6 4,-2.4 1,-0.1 3,-0.3 -0.928 65.5-155.2-119.0 120.7 -82.2 21.7 -3.8 775 779 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.826 95.1 55.8 -59.7 -35.4 -79.7 19.1 -4.9 776 780 A N H 4 S+ 0 0 9 -524,-0.4 -523,-0.1 2,-0.2 -521,-0.0 0.938 110.3 44.8 -64.5 -44.6 -78.9 18.0 -1.3 777 781 A R H 4 S+ 0 0 23 -3,-0.3 5,-0.4 1,-0.2 -1,-0.2 0.907 113.3 51.2 -65.7 -42.7 -82.6 17.3 -0.5 778 782 A I H < 0 0 1 -4,-2.4 5,-2.3 -7,-0.3 4,-1.4 0.932 360.0 360.0 -58.1 -47.1 -83.0 15.5 -3.9 779 783 A R < 0 0 73 -4,-2.6 5,-1.1 -5,-0.2 -1,-0.2 0.859 360.0 360.0 -65.8 360.0 -80.0 13.3 -3.2 780 ! 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 0.0 781 785 A L > 0 0 2 0, 0.0 4,-1.5 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 -60.0 -84.5 11.5 -0.4 782 786 A I H > + 0 0 0 -4,-1.4 4,-2.5 -5,-0.4 5,-0.3 0.923 360.0 47.0 -80.9 -47.0 -84.8 10.3 -4.0 783 787 A G H >>S+ 0 0 17 -5,-2.3 4,-2.7 1,-0.2 5,-0.5 0.899 112.5 50.6 -62.3 -42.4 -81.1 9.4 -4.6 784 788 A A H >5S+ 0 0 8 -5,-1.1 4,-1.7 -6,-0.3 5,-0.4 0.883 110.7 50.2 -63.6 -37.4 -80.8 7.4 -1.3 785 789 A F H X5S+ 0 0 1 -4,-1.5 4,-1.2 3,-0.2 8,-0.4 0.960 118.3 36.0 -64.2 -50.4 -84.0 5.5 -2.2 786 790 A A H <5S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.870 131.3 29.0 -70.6 -41.2 -82.8 4.5 -5.7 787 791 A G H <5S+ 0 0 25 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.797 129.5 32.9 -91.4 -30.4 -79.1 4.0 -5.0 788 792 A S H <X + 0 0 16 -4,-1.2 4,-3.2 -5,-0.4 3,-0.6 -0.525 60.4 156.2-124.5 63.0 -82.2 1.0 -1.0 790 794 A P H 3> S+ 0 0 15 0, 0.0 4,-2.7 0, 0.0 -159,-0.1 0.858 70.2 63.7 -57.5 -29.6 -81.8 -1.4 -4.0 791 795 A A H 34 S+ 0 0 24 -161,-0.3 -160,-0.1 1,-0.2 -2,-0.1 0.916 114.9 31.2 -60.6 -40.7 -84.2 -3.9 -2.2 792 796 A A H X4 S+ 0 0 17 -3,-0.6 3,-1.9 2,-0.2 8,-0.3 0.881 116.1 56.5 -80.9 -38.5 -87.0 -1.4 -2.5 793 797 A F H 3< S+ 0 0 0 -4,-3.2 8,-0.3 -8,-0.4 7,-0.3 0.904 112.8 43.9 -57.9 -37.5 -85.9 0.3 -5.7 794 798 A H T 3< S+ 0 0 2 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 -0.023 80.8 158.9-100.1 30.3 -86.0 -3.2 -7.3 795 799 A A X - 0 0 24 -3,-1.9 3,-2.3 1,-0.1 5,-0.2 -0.210 52.9-117.6 -47.8 139.7 -89.4 -4.2 -5.8 796 800 A E T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.780 110.5 64.5 -61.5 -23.6 -90.8 -6.9 -8.0 797 801 A D T 3 S- 0 0 111 1,-0.1 -1,-0.3 42,-0.0 -2,-0.1 0.530 107.6-122.0 -76.9 -3.9 -93.9 -4.8 -9.0 798 802 A G S <> S+ 0 0 4 -3,-2.3 4,-2.0 1,-0.1 3,-0.2 0.554 73.1 132.0 82.4 2.6 -91.6 -2.3 -10.8 799 803 A S H > + 0 0 31 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.814 66.7 56.5 -62.8 -32.7 -92.9 0.6 -8.5 800 804 A G H > S+ 0 0 0 -8,-0.3 4,-2.3 -7,-0.3 -1,-0.2 0.913 107.8 47.5 -68.4 -38.9 -89.4 1.8 -7.7 801 805 A Y H > S+ 0 0 3 -8,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.915 111.6 50.7 -66.2 -42.0 -88.5 2.3 -11.4 802 806 A L H X S+ 0 0 97 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.881 109.5 50.3 -64.0 -41.1 -91.8 4.1 -12.1 803 807 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.923 111.3 48.6 -59.8 -47.8 -91.2 6.5 -9.2 804 808 A L H X S+ 0 0 2 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.920 108.5 54.2 -61.7 -40.9 -87.6 7.3 -10.5 805 809 A V H X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.934 108.8 49.4 -59.6 -42.5 -89.0 7.9 -14.0 806 810 A E H X S+ 0 0 91 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.932 113.6 45.1 -62.0 -41.3 -91.5 10.4 -12.5 807 811 A M H X S+ 0 0 18 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.901 114.1 49.2 -70.7 -38.0 -88.7 12.2 -10.6 808 812 A L H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.798 101.7 62.5 -70.8 -25.1 -86.3 12.2 -13.6 809 813 A T H X S+ 0 0 55 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.905 112.0 38.1 -65.8 -40.1 -89.0 13.6 -15.9 810 814 A D H >X S+ 0 0 55 -4,-1.4 4,-1.9 -3,-0.2 3,-1.3 0.964 118.9 47.4 -68.2 -50.1 -89.0 16.7 -13.6 811 815 A L H 3X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.3 8,-0.4 0.812 97.4 69.0 -71.2 -28.2 -85.2 16.8 -13.1 812 816 A N H 3< S+ 0 0 4 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 0.890 112.7 32.5 -54.1 -41.2 -84.3 16.4 -16.7 813 817 A S H << S+ 0 0 88 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.811 125.9 42.9 -81.8 -37.4 -85.8 19.9 -17.4 814 818 A R H < S- 0 0 80 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.936 135.1 -6.9 -78.6 -50.2 -84.8 21.5 -14.0 815 819 A N X - 0 0 5 -4,-2.3 4,-2.4 -5,-0.2 3,-0.4 -0.705 58.4-174.9-155.2 86.6 -81.3 20.2 -13.3 816 820 A P H > S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.808 83.9 59.6 -64.4 -27.9 -79.9 17.7 -15.7 817 821 A Q H > S+ 0 0 21 -716,-0.2 4,-1.7 2,-0.2 5,-0.1 0.923 109.3 42.8 -64.9 -42.0 -76.7 17.1 -13.8 818 822 A V H > S+ 0 0 3 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.898 113.8 53.7 -68.1 -38.4 -78.6 16.0 -10.7 819 823 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 -8,-0.4 -2,-0.2 0.914 106.8 51.3 -60.3 -41.2 -80.9 13.9 -13.0 820 824 A S H < S+ 0 0 3 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.849 108.8 50.3 -71.4 -31.0 -77.9 12.2 -14.5 821 825 A R H >< S+ 0 0 109 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.910 112.4 49.4 -65.9 -39.2 -76.5 11.2 -11.0 822 826 A L H 3< S+ 0 0 8 -4,-2.1 4,-0.2 1,-0.2 -2,-0.2 0.731 101.9 60.3 -74.6 -22.9 -80.0 9.8 -10.2 823 827 A I T >X S+ 0 0 0 -4,-1.5 3,-1.6 1,-0.2 4,-1.1 0.639 77.9 94.6 -77.5 -11.0 -80.4 7.7 -13.3 824 828 A E G X4 S+ 0 0 25 -3,-0.9 3,-0.9 -4,-0.5 4,-0.5 0.872 78.2 54.8 -53.3 -39.9 -77.4 5.7 -12.5 825 829 A P G >4 S+ 0 0 23 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.810 106.6 53.4 -66.2 -25.6 -79.2 2.8 -10.7 826 830 A L G X4 S+ 0 0 0 -3,-1.6 3,-1.0 -4,-0.2 -2,-0.2 0.770 98.9 61.8 -77.1 -27.6 -81.5 2.3 -13.7 827 831 A I G << S+ 0 0 0 -4,-1.1 3,-0.4 -3,-0.9 -1,-0.2 0.561 88.5 72.6 -75.3 -3.1 -78.5 1.9 -16.1 828 832 A R G X + 0 0 47 -3,-0.7 3,-2.4 -4,-0.5 -1,-0.2 0.179 60.2 123.5 -92.5 20.3 -77.3 -1.2 -14.2 829 833 A L G X + 0 0 0 -3,-1.0 3,-2.1 1,-0.3 -1,-0.2 0.759 60.2 65.9 -56.5 -31.1 -80.3 -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 0.609 93.2 62.8 -73.8 -4.9 -78.1 -6.0 -17.2 831 835 A R G < S+ 0 0 30 -3,-2.4 -203,-3.0 -204,-0.1 -1,-0.3 0.418 97.8 75.3 -84.8 -5.4 -76.9 -7.1 -13.7 832 836 A Y S < S- 0 0 20 -3,-2.1 -203,-0.1 -205,-0.2 5,-0.0 -0.644 92.6 -85.1-109.2 171.4 -80.6 -8.0 -12.8 833 837 A D > - 0 0 52 -205,-0.4 4,-3.1 -2,-0.2 5,-0.2 -0.113 49.2 -99.1 -71.1 164.3 -82.8 -10.9 -13.6 834 838 A A H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.845 120.1 52.0 -57.1 -38.9 -84.9 -10.9 -16.9 835 839 A K H > S+ 0 0 110 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 113.8 44.3 -69.0 -38.8 -88.2 -9.7 -15.5 836 840 A R H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.931 111.6 54.8 -68.4 -42.0 -86.4 -6.7 -13.7 837 841 A Q H X S+ 0 0 38 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.893 106.2 53.0 -58.2 -41.0 -84.4 -6.0 -16.9 838 842 A E H X S+ 0 0 141 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.935 112.5 42.4 -56.3 -46.9 -87.7 -5.8 -18.8 839 843 A K H X S+ 0 0 70 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.883 115.6 48.8 -70.4 -38.2 -89.2 -3.3 -16.5 840 844 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.896 110.6 51.3 -71.7 -37.0 -86.0 -1.2 -16.2 841 845 A R H X S+ 0 0 71 -4,-3.0 4,-2.6 -5,-0.3 -2,-0.2 0.934 109.3 51.7 -62.1 -42.1 -85.6 -1.2 -20.1 842 846 A A H X S+ 0 0 52 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.912 110.1 49.0 -59.7 -40.0 -89.3 0.0 -20.3 843 847 A A H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.939 111.6 48.0 -66.3 -43.3 -88.5 2.9 -17.9 844 848 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.870 109.9 53.3 -65.2 -40.4 -85.4 3.9 -19.8 845 849 A E H X S+ 0 0 112 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.885 107.6 52.2 -60.4 -36.8 -87.5 3.8 -23.1 846 850 A Q H >< S+ 0 0 115 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.959 112.1 44.2 -63.7 -43.0 -90.0 6.1 -21.5 847 851 A L H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.893 105.9 61.7 -72.3 -35.3 -87.2 8.6 -20.5 848 852 A K H 3< S+ 0 0 119 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.824 102.9 53.9 -60.3 -24.7 -85.6 8.3 -24.0 849 853 A G T << S+ 0 0 62 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.404 79.3 127.5 -90.7 4.6 -88.8 9.7 -25.4 850 854 A L X - 0 0 37 -3,-2.0 3,-1.0 -4,-0.2 2,-0.1 -0.306 66.8-114.5 -61.0 136.3 -88.9 12.9 -23.2 851 855 A E T 3 S+ 0 0 168 1,-0.3 -1,-0.1 2,-0.0 -2,-0.1 -0.482 103.6 14.9 -58.3 138.5 -89.4 16.1 -25.1 852 856 A N T 3 S- 0 0 143 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.889 86.8-168.8 57.9 45.0 -86.2 18.1 -24.6 853 857 A L < - 0 0 39 -3,-1.0 -1,-0.2 -5,-0.1 -40,-0.0 -0.427 22.3-119.9 -62.7 128.8 -84.2 15.2 -23.3 854 858 A S > - 0 0 15 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.365 9.2-124.7 -69.5 151.3 -80.9 16.5 -21.9 855 859 A G H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.850 111.3 63.6 -57.4 -35.5 -77.6 15.4 -23.4 856 860 A D H > S+ 0 0 15 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.956 112.3 33.5 -57.2 -48.8 -76.6 14.3 -19.8 857 861 A L H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.880 112.8 61.3 -77.7 -35.6 -79.4 11.7 -19.8 858 862 A Y H X S+ 0 0 79 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.896 102.6 51.6 -54.3 -44.8 -79.3 10.9 -23.5 859 863 A E H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.925 115.7 40.6 -62.8 -45.3 -75.6 9.6 -23.2 860 864 A K H X S+ 0 0 9 -4,-1.1 4,-2.4 -5,-0.2 -2,-0.2 0.914 116.2 48.6 -70.1 -42.3 -76.5 7.3 -20.3 861 865 A I H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.900 111.3 49.4 -66.1 -44.2 -79.8 6.0 -21.7 862 866 A T H X S+ 0 0 38 -4,-2.6 4,-0.9 -5,-0.3 -1,-0.2 0.915 113.0 47.1 -66.3 -38.3 -78.4 5.2 -25.1 863 867 A K H >< S+ 0 0 58 -4,-1.7 3,-0.7 -5,-0.3 -1,-0.2 0.919 113.6 49.7 -65.1 -41.0 -75.5 3.3 -23.6 864 868 A A H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.804 112.6 45.6 -64.7 -36.2 -77.9 1.4 -21.2 865 869 A L H 3< 0 0 37 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.543 360.0 360.0 -89.8 -5.3 -80.3 0.4 -24.0 866 870 A A << 0 0 115 -4,-0.9 -3,-0.0 -3,-0.7 -4,-0.0 -0.196 360.0 360.0 -69.5 360.0 -77.5 -0.7 -26.5 867 ! 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 S 0 0 9 0, 0.0 -610,-0.3 0, 0.0 -574,-0.1 0.000 360.0 360.0 360.0 360.0 -64.3 19.9 -8.1