==== 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/TOXIN 05-JAN-99 1B41 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.KRYGER,M.HAREL,A.SHAFFERMAN,I.SILMAN,J.L.SUSSMAN . 592 4 7 5 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 0 4 2 0 2 1 0 1 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 1 2 1 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 . 2 0 1 4 1 2 0 0 0 0 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 1 1 0 0 0 0 0 0 1 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 D 0 0 136 0, 0.0 14,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.2 143.1 100.6 -163.7 2 6 A A > + 0 0 87 1,-0.2 3,-0.7 2,-0.1 0, 0.0 0.712 360.0 54.5 -87.4 -23.7 141.3 100.9 -167.1 3 7 A E T 3 S+ 0 0 37 1,-0.2 -1,-0.2 3,-0.0 13,-0.1 0.528 91.6 73.4 -85.4 -8.2 138.0 100.1 -165.4 4 8 A L T 3 S+ 0 0 17 11,-0.1 11,-3.1 10,-0.1 2,-0.5 0.397 84.8 77.7 -86.1 3.5 138.5 102.9 -162.9 5 9 A L E < +A 14 0A 89 -3,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.965 59.8 159.9-115.1 120.3 137.7 105.4 -165.7 6 10 A V E -A 13 0A 10 7,-1.8 7,-2.6 -2,-0.5 2,-0.5 -0.989 28.5-141.0-140.8 148.0 134.0 105.8 -166.6 7 11 A T E -A 12 0A 94 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.936 18.0-178.6-115.0 131.5 132.0 108.4 -168.3 8 12 A V E > -A 11 0A 7 3,-2.9 3,-0.8 -2,-0.5 174,-0.1 -0.779 51.7 -86.2-119.5 166.0 128.5 109.5 -167.3 9 13 A R T 3 S+ 0 0 191 -2,-0.3 3,-0.1 1,-0.3 173,-0.0 0.750 130.1 50.5 -42.5 -29.7 126.2 112.1 -168.9 10 14 A G T 3 S- 0 0 17 1,-0.2 42,-1.7 41,-0.1 2,-0.3 0.895 120.2 -86.3 -79.0 -43.3 128.0 114.7 -166.8 11 15 A G E < -A 8 0A 13 -3,-0.8 -3,-2.9 40,-0.2 2,-0.3 -0.986 62.2 -23.0 167.5-157.8 131.6 113.8 -167.7 12 16 A R E -Ab 7 55A 134 42,-1.1 44,-3.0 -2,-0.3 2,-0.3 -0.623 48.0-166.6 -89.7 143.2 134.6 111.6 -166.9 13 17 A L E -Ab 6 56A 1 -7,-2.6 -7,-1.8 -2,-0.3 2,-0.5 -0.948 11.2-155.7-128.7 148.5 135.2 110.0 -163.5 14 18 A R E +Ab 5 57A 103 42,-2.0 44,-2.3 -2,-0.3 -9,-0.2 -0.969 23.5 175.5-126.8 113.3 138.2 108.3 -162.0 15 19 A G - 0 0 3 -11,-3.1 2,-0.3 -2,-0.5 13,-0.2 0.101 21.9-119.3 -97.5-151.2 137.6 105.7 -159.2 16 20 A I E -C 27 0B 40 11,-2.2 11,-2.7 42,-0.2 2,-0.4 -0.982 17.4-121.9-153.1 149.1 139.5 103.3 -157.1 17 21 A R E -C 26 0B 112 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.769 26.8-146.2 -95.6 143.5 139.5 99.5 -156.7 18 22 A L E -C 25 0B 22 7,-3.3 7,-1.4 -2,-0.4 2,-0.1 -0.920 13.7-121.5-113.5 137.7 138.9 98.3 -153.1 19 23 A K + 0 0 137 -2,-0.4 113,-0.1 5,-0.2 0, 0.0 -0.417 31.3 178.5 -75.7 148.3 140.4 95.1 -151.7 20 24 A T > - 0 0 22 -2,-0.1 3,-1.0 112,-0.0 431,-0.1 -0.995 44.6-112.8-150.1 145.3 138.3 92.3 -150.4 21 25 A P T 3 S+ 0 0 88 0, 0.0 -2,-0.0 0, 0.0 430,-0.0 0.556 123.0 37.0 -55.8 -3.3 139.0 88.9 -148.8 22 26 A G T 3 S- 0 0 52 1,-0.4 -3,-0.0 0, 0.0 111,-0.0 0.548 129.4 -53.1-124.3 -14.5 137.4 87.6 -152.1 23 27 A G < - 0 0 20 -3,-1.0 -1,-0.4 -5,-0.0 113,-0.1 -0.753 63.6 -65.0 152.3 161.6 138.6 90.0 -154.7 24 28 A P - 0 0 41 0, 0.0 77,-0.4 0, 0.0 2,-0.3 -0.254 39.5-160.1 -71.3 161.6 138.8 93.6 -155.8 25 29 A V E -C 18 0B 0 -7,-1.4 -7,-3.3 75,-0.1 2,-0.5 -0.987 18.2-123.6-140.8 143.5 135.8 95.8 -156.5 26 30 A S E -CD 17 99B 0 73,-2.1 73,-2.9 -2,-0.3 2,-0.4 -0.800 32.6-177.0 -92.7 127.5 135.6 99.0 -158.5 27 31 A A E -CD 16 98B 0 -11,-2.7 -11,-2.2 -2,-0.5 2,-0.5 -0.959 18.6-164.2-127.0 144.0 134.1 101.9 -156.5 28 32 A F E - D 0 97B 0 69,-2.6 69,-2.4 -2,-0.4 2,-0.4 -0.952 19.6-170.8-127.9 106.3 133.4 105.5 -157.6 29 33 A L E + D 0 96B 8 29,-2.0 31,-0.4 -2,-0.5 67,-0.2 -0.845 57.3 17.9-107.5 136.0 132.8 107.7 -154.6 30 34 A G E + 0 0 5 65,-0.6 -1,-0.2 -2,-0.4 66,-0.2 0.838 65.1 172.4 83.7 34.8 131.6 111.3 -154.5 31 35 A I E - D 0 95B 0 64,-2.5 64,-1.8 -3,-0.3 2,-0.4 -0.671 34.9-126.2 -77.7 119.9 129.9 111.6 -157.9 32 36 A P E + D 0 94B 12 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.523 37.0 168.7 -68.4 121.7 128.1 115.0 -157.9 33 37 A F + 0 0 6 60,-1.2 16,-1.4 -2,-0.4 2,-0.3 0.522 60.5 32.9-112.7 -5.6 124.5 114.5 -158.8 34 38 A A B S-M 48 0C 4 59,-0.9 -1,-0.1 14,-0.3 59,-0.1 -0.965 86.9 -98.0-144.9 158.0 123.0 117.9 -158.0 35 39 A E - 0 0 30 12,-2.9 12,-0.5 -2,-0.3 14,-0.1 -0.653 61.5 -92.2 -75.2 130.1 124.0 121.5 -157.9 36 40 A P - 0 0 33 0, 0.0 2,-2.0 0, 0.0 55,-0.2 -0.171 30.1-129.3 -48.2 128.1 125.1 122.4 -154.3 37 41 A P + 0 0 5 0, 0.0 6,-0.1 0, 0.0 2,-0.1 -0.278 53.3 155.0 -75.8 50.2 122.1 123.8 -152.3 38 42 A M > - 0 0 82 -2,-2.0 3,-3.4 3,-0.2 4,-0.2 -0.444 57.0 -39.5 -82.7 155.8 124.1 126.8 -151.1 39 43 A G G > S+ 0 0 30 1,-0.3 3,-1.9 2,-0.2 227,-0.0 0.054 138.4 25.7 32.3-110.8 122.7 130.1 -150.0 40 44 A P G 3 S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 225,-0.1 0.757 126.0 53.5 -48.6 -27.7 119.8 131.0 -152.4 41 45 A R G X S+ 0 0 81 -3,-3.4 3,-2.5 -5,-0.1 -2,-0.2 0.726 78.0 116.9 -84.1 -21.5 119.3 127.3 -153.0 42 46 A R T < S+ 0 0 8 -3,-1.9 -4,-0.1 1,-0.3 223,-0.1 -0.187 85.5 12.9 -48.7 131.3 119.0 126.2 -149.4 43 47 A F T 3 S+ 0 0 3 109,-0.5 122,-0.6 1,-0.3 -1,-0.3 0.227 104.5 114.2 83.8 -14.1 115.5 124.7 -148.7 44 48 A L S < S- 0 0 44 -3,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.576 79.0 -92.9 -90.5 153.9 114.7 124.4 -152.5 45 49 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.205 58.9 -92.4 -55.5 154.5 114.2 121.2 -154.4 46 50 A P - 0 0 23 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.401 31.8-142.1 -75.7 150.8 117.5 120.1 -156.0 47 51 A E - 0 0 83 -12,-0.5 -12,-2.9 -3,-0.1 3,-0.1 -0.895 34.6 -93.7-109.4 140.2 118.6 121.1 -159.5 48 52 A P B -M 34 0C 84 0, 0.0 -14,-0.3 0, 0.0 2,-0.3 -0.188 45.2-101.7 -52.9 139.6 120.5 118.5 -161.7 49 53 A K - 0 0 72 -16,-1.4 3,-0.1 -15,-0.1 -14,-0.1 -0.484 41.4-123.4 -64.7 125.3 124.3 118.7 -161.5 50 54 A Q - 0 0 125 -2,-0.3 -1,-0.1 1,-0.1 -40,-0.1 -0.393 35.1 -85.9 -72.1 150.1 125.5 120.5 -164.7 51 55 A P - 0 0 104 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.153 46.3-148.3 -54.0 146.3 128.0 118.9 -167.0 52 56 A W - 0 0 40 -42,-1.7 -40,-0.3 2,-0.1 2,-0.3 -0.912 7.0-129.1-123.7 149.2 131.7 119.2 -166.1 53 57 A S S S+ 0 0 122 -2,-0.3 2,-0.1 -42,-0.1 -42,-0.0 -0.659 73.9 12.2 -91.5 149.3 134.9 119.4 -168.2 54 58 A G S S- 0 0 31 -2,-0.3 -42,-1.1 2,-0.0 2,-0.5 -0.300 104.0 -47.1 82.2-170.5 137.8 117.2 -167.3 55 59 A V E -b 12 0A 67 -44,-0.1 2,-0.3 -2,-0.1 -42,-0.2 -0.895 48.7-138.2-108.9 130.5 137.8 114.2 -165.0 56 60 A V E -b 13 0A 37 -44,-3.0 -42,-2.0 -2,-0.5 2,-0.7 -0.681 21.7-118.7 -87.5 135.2 136.2 114.3 -161.5 57 61 A D E +b 14 0A 72 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.1 -0.620 37.4 168.5 -75.6 113.9 138.1 112.6 -158.6 58 62 A A + 0 0 0 -44,-2.3 -29,-2.0 -2,-0.7 -42,-0.2 -0.386 44.2 104.1-122.3 51.9 135.8 109.8 -157.3 59 63 A T S S+ 0 0 35 -31,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.725 78.0 38.7-102.6 -29.8 138.3 108.1 -155.1 60 64 A T S S- 0 0 71 -31,-0.4 -1,-0.2 -3,-0.2 -44,-0.0 -0.902 90.0 -96.0-124.7 153.7 137.1 109.3 -151.7 61 65 A F - 0 0 34 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.134 42.0-124.4 -59.3 159.3 133.7 109.9 -150.1 62 66 A Q - 0 0 66 1,-0.2 63,-0.1 30,-0.1 -1,-0.1 -0.405 41.9 -54.4-101.1-179.9 132.3 113.4 -150.1 63 67 A S - 0 0 20 28,-0.3 2,-0.3 -2,-0.1 -1,-0.2 -0.100 50.3-118.9 -56.0 147.8 131.0 115.7 -147.4 64 68 A V E -n 88 0D 0 23,-1.7 25,-1.7 22,-0.1 3,-0.1 -0.703 40.4 -99.3 -86.0 139.2 128.3 114.7 -145.0 65 69 A a E -n 89 0D 2 -2,-0.3 25,-0.2 57,-0.3 57,-0.1 -0.386 54.3 -84.3 -62.0 135.1 125.2 116.8 -145.2 66 70 A Y S S+ 0 0 39 23,-1.3 83,-0.4 -2,-0.1 2,-0.3 -0.075 72.4 147.5 -43.7 125.8 125.1 119.5 -142.4 67 71 A Q - 0 0 3 -3,-0.1 2,-0.2 476,-0.1 54,-0.1 -0.977 51.0 -83.3-158.3 169.0 123.7 117.9 -139.3 68 72 A Y - 0 0 1 52,-0.8 2,-0.7 -2,-0.3 475,-0.2 -0.514 41.0-133.9 -75.1 143.8 123.6 117.7 -135.5 69 73 A V - 0 0 4 473,-3.2 2,-0.7 -2,-0.2 475,-0.2 -0.900 16.1-129.5-104.5 115.3 126.3 115.4 -134.0 70 74 A D + 0 0 11 -2,-0.7 3,-0.2 1,-0.1 13,-0.1 -0.506 36.1 166.9 -67.3 108.1 124.9 113.1 -131.4 71 75 A T + 0 0 6 -2,-0.7 -1,-0.1 497,-0.5 498,-0.1 -0.049 28.7 125.1-113.7 30.5 127.2 113.5 -128.3 72 76 A L S S+ 0 0 12 1,-0.3 -1,-0.1 496,-0.1 497,-0.0 0.936 84.4 26.5 -52.7 -54.4 125.2 111.8 -125.6 73 77 A Y S > S- 0 0 14 -3,-0.2 3,-3.0 3,-0.1 -1,-0.3 -0.712 88.9-140.8-116.9 80.1 128.1 109.5 -124.6 74 78 A P T 3 S+ 0 0 12 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.037 87.0 6.5 -39.3 128.3 131.4 111.1 -125.5 75 79 A G T 3 S+ 0 0 61 1,-0.2 2,-0.2 471,-0.2 -4,-0.0 0.492 95.3 136.5 74.1 2.1 133.8 108.5 -126.8 76 80 A F <> - 0 0 29 -3,-3.0 4,-1.5 1,-0.1 -1,-0.2 -0.588 46.4-149.4 -82.5 146.8 131.2 105.7 -126.9 77 81 A E H > S+ 0 0 93 -2,-0.2 4,-2.4 2,-0.2 5,-0.2 0.915 91.3 57.7 -82.0 -46.1 131.1 103.4 -129.9 78 82 A G H 4 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.687 118.4 37.2 -59.2 -14.4 127.4 102.5 -130.2 79 83 A T H >4 S+ 0 0 2 -6,-0.2 3,-0.6 2,-0.1 -1,-0.2 0.776 117.4 46.7-105.8 -34.8 126.7 106.2 -130.4 80 84 A E H >< S+ 0 0 77 -4,-1.5 3,-1.4 1,-0.2 -2,-0.2 0.715 90.8 77.5 -83.3 -22.0 129.6 107.5 -132.5 81 85 A M T 3< S+ 0 0 51 -4,-2.4 47,-0.3 1,-0.3 -1,-0.2 0.617 99.7 48.1 -63.7 -8.1 129.5 104.9 -135.2 82 86 A W T < S+ 0 0 48 -3,-0.6 -1,-0.3 -5,-0.2 40,-0.2 0.544 90.1 99.8-108.1 -10.0 126.6 106.9 -136.6 83 87 A N S < S- 0 0 22 -3,-1.4 -14,-0.1 -4,-0.2 40,-0.1 -0.327 90.9 -74.3 -76.0 158.9 128.0 110.4 -136.4 84 88 A P - 0 0 28 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.282 40.4-169.5 -54.9 129.5 129.4 112.2 -139.5 85 89 A N + 0 0 48 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 -0.151 68.1 47.2-115.5 35.8 132.8 110.8 -140.4 86 90 A R S S- 0 0 97 -22,-0.0 -22,-0.1 0, 0.0 -24,-0.1 -0.937 105.4 -66.6-163.9 158.7 133.7 113.5 -142.9 87 91 A E - 0 0 152 -2,-0.3 -23,-1.7 1,-0.1 2,-0.2 -0.197 54.3-119.6 -54.2 140.7 133.6 117.3 -142.9 88 92 A L E +n 64 0D 25 -25,-0.2 2,-0.3 455,-0.1 -23,-0.2 -0.562 42.6 157.5 -82.9 149.0 130.0 118.8 -142.8 89 93 A S E -n 65 0D 24 -25,-1.7 -23,-1.3 -2,-0.2 0, 0.0 -0.969 53.2-130.9-166.7 152.0 128.8 121.0 -145.6 90 94 A E S S+ 0 0 34 -2,-0.3 2,-1.6 -25,-0.2 3,-0.3 0.725 104.6 77.7 -76.5 -20.6 125.6 122.2 -147.3 91 95 A D + 0 0 45 1,-0.2 -28,-0.3 -55,-0.2 -1,-0.2 -0.692 64.0 116.7 -85.7 86.8 127.5 121.2 -150.4 92 96 A a + 0 0 0 -2,-1.6 2,-1.6 -30,-0.1 -27,-0.2 0.371 19.2 120.4-138.4 2.7 126.8 117.5 -149.9 93 97 A L + 0 0 1 -3,-0.3 -60,-1.2 -59,-0.1 -59,-0.9 -0.581 42.6 125.3 -81.0 91.2 124.7 116.1 -152.7 94 98 A Y E -D 32 0B 27 -2,-1.6 52,-2.3 -62,-0.2 2,-0.3 -0.892 39.5-155.9-136.8 163.0 126.9 113.3 -154.0 95 99 A L E -DE 31 145B 0 -64,-1.8 -64,-2.5 -2,-0.3 -65,-0.6 -0.912 6.9-134.4-140.6 169.2 126.4 109.6 -154.5 96 100 A N E -DE 29 144B 2 48,-3.2 48,-1.7 -2,-0.3 2,-0.4 -0.960 6.0-158.1-132.2 146.6 128.5 106.4 -154.8 97 101 A V E -DE 28 143B 0 -69,-2.4 -69,-2.6 -2,-0.4 2,-0.5 -0.984 2.7-170.4-127.0 129.6 128.7 103.4 -157.1 98 102 A W E +DE 27 142B 0 44,-3.0 44,-2.2 -2,-0.4 -71,-0.2 -0.965 17.2 173.6-116.4 111.6 130.1 100.0 -156.2 99 103 A T E -D 26 0B 0 -73,-2.9 -73,-2.1 -2,-0.5 42,-0.1 -0.949 32.7 -99.8-124.7 144.6 130.4 97.7 -159.2 100 104 A P - 0 0 1 0, 0.0 -75,-0.1 0, 0.0 -74,-0.1 0.142 46.2 -90.2 -49.3 167.7 132.0 94.2 -159.6 101 105 A Y S S+ 0 0 91 -77,-0.4 2,-0.2 1,-0.1 38,-0.0 -0.969 114.9 30.4-138.1 121.2 135.5 93.6 -161.1 102 106 A P S S- 0 0 77 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.535 114.4-104.1 -68.6 161.3 135.8 93.1 -163.9 103 107 A R - 0 0 62 -2,-0.2 -2,-0.1 1,-0.1 84,-0.1 -0.325 48.6 -93.6 -57.0 127.0 132.8 95.3 -164.7 104 108 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.008 24.0-147.4 -44.6 141.4 129.9 93.0 -165.6 105 109 A T S S+ 0 0 146 -3,-0.1 82,-0.1 2,-0.1 -2,-0.1 0.833 83.5 43.1 -81.2 -37.1 129.3 92.2 -169.3 106 110 A S S S- 0 0 82 1,-0.1 2,-0.2 81,-0.0 83,-0.1 -0.743 108.1 -80.1-108.5 158.1 125.6 92.0 -169.1 107 111 A P - 0 0 89 0, 0.0 81,-0.2 0, 0.0 -2,-0.1 -0.392 51.4-159.2 -59.6 121.3 123.2 94.4 -167.2 108 112 A T E -f 188 0B 15 79,-2.6 81,-2.4 -2,-0.2 84,-0.1 -0.865 24.3 -94.5-109.0 138.3 123.3 93.4 -163.5 109 113 A P E - 0 0 23 0, 0.0 32,-2.2 0, 0.0 2,-0.3 -0.039 39.8-135.8 -47.3 146.4 120.6 94.3 -160.9 110 114 A V E -fg 193 141B 0 82,-2.7 84,-2.5 79,-0.5 2,-0.5 -0.844 11.1-158.6-112.8 145.5 121.1 97.4 -158.8 111 115 A L E -fg 194 142B 3 30,-1.9 32,-2.8 -2,-0.3 2,-0.5 -0.983 9.8-162.0-122.6 117.2 120.6 98.0 -155.1 112 116 A V E -fg 195 143B 0 82,-2.0 84,-2.5 -2,-0.5 2,-0.5 -0.891 8.7-152.4-104.3 126.4 120.1 101.6 -154.0 113 117 A W E -fg 196 144B 1 30,-2.7 32,-1.2 -2,-0.5 2,-0.5 -0.847 12.5-172.8-105.0 130.0 120.7 102.4 -150.3 114 118 A I E -f 197 0B 0 82,-1.5 84,-1.0 -2,-0.5 91,-0.1 -0.983 24.7-137.0-117.5 119.2 119.0 105.2 -148.3 115 119 A Y - 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0 0 76 0, 0.0 4,-1.7 0, 0.0 3,-0.6 -0.300 29.6-118.3 -61.4 146.1 124.9 130.1 -140.6 269 278 A A H 3> S+ 0 0 14 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.904 114.9 50.3 -52.7 -45.9 124.3 126.3 -141.0 270 279 A Q H 3> S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.798 103.3 59.3 -66.5 -28.3 125.4 125.7 -137.4 271 280 A V H <> S+ 0 0 41 -3,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.913 108.0 46.1 -66.1 -40.7 123.0 128.4 -136.0 272 281 A L H >X S+ 0 0 2 -4,-1.7 3,-0.8 1,-0.2 4,-0.6 0.954 112.6 49.3 -66.1 -47.4 120.1 126.6 -137.5 273 282 A V H >< S+ 0 0 2 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.845 101.5 66.7 -60.9 -30.6 121.3 123.2 -136.2 274 283 A N H 3< S+ 0 0 52 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.893 111.6 31.5 -56.9 -40.7 121.7 124.9 -132.8 275 284 A H H XX S+ 0 0 43 -4,-1.1 4,-0.9 -3,-0.8 3,-0.8 0.343 87.6 107.1-101.7 7.7 118.0 125.4 -132.4 276 285 A E T << S+ 0 0 4 -3,-0.8 3,-0.4 -4,-0.6 -1,-0.2 0.888 81.7 45.1 -51.2 -50.6 116.8 122.3 -134.3 277 286 A W T >4 S+ 0 0 3 -4,-0.4 3,-1.1 -3,-0.2 -1,-0.2 0.650 97.7 73.1 -73.3 -16.7 115.7 120.4 -131.2 278 287 A H T <4 S+ 0 0 17 -3,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.937 88.4 61.0 -61.9 -46.3 113.8 123.3 -129.6 279 288 A V T 3< S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.1 0.473 77.3 112.7 -62.5 -2.2 110.9 123.1 -132.1 280 289 A L S < S- 0 0 2 -3,-1.1 2,-1.6 1,-0.1 3,-0.1 -0.603 81.8-115.7 -77.4 120.5 110.0 119.6 -131.0 281 290 A P - 0 0 61 0, 0.0 79,-0.1 0, 0.0 -1,-0.1 -0.408 59.2-103.1 -61.6 91.9 106.7 119.5 -129.2 282 291 A Q S S+ 0 0 52 -2,-1.6 299,-0.0 -4,-0.3 -4,-0.0 0.698 81.1 36.1 -11.5 164.3 108.2 118.4 -125.9 283 292 A E S S+ 0 0 98 281,-0.2 77,-0.3 1,-0.2 2,-0.3 0.943 77.5 99.5 41.2 95.9 108.5 115.1 -123.9 284 293 A S - 0 0 2 280,-0.8 2,-0.3 75,-0.1 73,-0.2 -0.956 54.0-132.5-179.4 171.1 109.0 112.1 -126.1 285 294 A V S S+ 0 0 2 71,-1.0 3,-0.1 -2,-0.3 45,-0.1 -0.982 86.8 32.3-140.2 143.5 111.5 109.7 -127.4 286 295 A F S S+ 0 0 4 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.951 89.9 119.4 72.3 47.2 111.8 108.6 -131.1 287 296 A R - 0 0 32 -3,-0.2 2,-0.4 -54,-0.0 -1,-0.3 -0.986 44.4-160.5-144.1 137.0 110.5 111.9 -132.5 288 297 A F - 0 0 18 -2,-0.3 3,-0.1 -56,-0.3 -170,-0.0 -0.938 19.3-130.6-126.1 144.6 112.4 114.3 -134.8 289 298 A S S S+ 0 0 1 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.952 91.0 30.3 -55.5 -64.5 111.9 118.0 -135.6 290 299 A F S S+ 0 0 8 -172,-0.1 -140,-0.4 -135,-0.1 -1,-0.2 -0.907 75.3 140.5-109.8 121.3 111.9 118.2 -139.3 291 300 A V - 0 0 3 -2,-0.6 -125,-0.3 -137,-0.3 -57,-0.1 -0.744 57.6 -45.7-140.4-175.8 110.6 115.2 -141.3 292 301 A P - 0 0 0 0, 0.0 -57,-1.7 0, 0.0 2,-0.4 -0.317 57.4-141.0 -60.4 144.8 108.6 114.5 -144.5 293 302 A V E -o 235 0E 2 -59,-0.2 2,-1.2 -3,-0.1 6,-0.3 -0.877 11.2-132.8-111.6 139.7 105.3 116.6 -144.8 294 303 A V E +o 236 0E 19 -59,-1.6 -57,-0.7 -2,-0.4 8,-0.1 -0.763 51.4 143.1 -89.4 97.0 101.9 115.6 -146.0 295 304 A D - 0 0 38 -2,-1.2 -1,-0.2 4,-0.3 5,-0.1 0.426 68.7-107.9-114.5 -8.1 101.4 118.6 -148.3 296 305 A G S S+ 0 0 41 3,-1.9 4,-0.1 -3,-0.2 -2,-0.1 0.148 102.4 78.4 98.5 -20.9 99.5 117.0 -151.2 297 306 A D S S+ 0 0 136 2,-0.2 3,-0.2 3,-0.1 4,-0.1 0.880 106.0 16.0 -83.8 -88.8 102.5 117.3 -153.6 298 307 A F S S+ 0 0 11 1,-0.3 2,-0.5 -5,-0.1 -4,-0.1 0.894 146.4 27.6 -51.4 -42.5 105.1 114.6 -152.9 299 308 A L S S- 0 0 1 -6,-0.3 -3,-1.9 1,-0.1 -4,-0.3 -0.970 71.0-162.7-123.2 112.6 102.4 112.8 -150.9 300 309 A S S S+ 0 0 80 -2,-0.5 2,-0.3 -90,-0.3 -1,-0.1 0.717 79.1 2.5 -67.4 -19.4 98.9 113.5 -152.1 301 310 A D S S- 0 0 76 -4,-0.1 -6,-0.1 -3,-0.1 -5,-0.1 -0.941 101.7 -61.7-155.4 172.2 97.6 112.1 -148.8 302 311 A T > - 0 0 54 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.226 52.1-113.8 -58.2 152.1 98.9 110.7 -145.5 303 312 A P H > S+ 0 0 4 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.885 118.6 55.3 -55.9 -37.1 100.9 107.5 -146.0 304 313 A E H > S+ 0 0 112 2,-0.2 4,-1.1 1,-0.2 5,-0.2 0.948 106.2 50.0 -60.8 -49.1 98.1 105.6 -144.1 305 314 A A H >> S+ 0 0 26 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.940 115.4 43.8 -53.7 -49.4 95.5 106.9 -146.5 306 315 A L H 3X S+ 0 0 27 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.935 105.7 59.6 -63.2 -50.1 97.7 105.8 -149.5 307 316 A I H 3< S+ 0 0 3 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.725 112.7 41.4 -54.1 -21.7 98.7 102.4 -148.1 308 317 A N H << S+ 0 0 54 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.787 118.9 41.0 -96.1 -32.4 94.9 101.5 -148.0 309 318 A A H < S+ 0 0 90 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.700 95.4 104.7 -88.1 -19.2 93.7 102.9 -151.3 310 319 A G < - 0 0 26 -4,-2.8 2,-0.6 -5,-0.2 -100,-0.0 -0.196 63.5-138.4 -69.5 153.0 96.7 101.8 -153.3 311 320 A D - 0 0 111 1,-0.1 102,-0.2 2,-0.1 -1,-0.1 -0.949 18.9-177.5-108.2 115.8 97.0 99.0 -155.8 312 321 A F + 0 0 5 100,-2.1 3,-0.2 -2,-0.6 103,-0.2 0.145 27.7 139.4-104.9 21.9 100.3 97.2 -155.3 313 322 A H + 0 0 126 99,-0.4 101,-0.2 1,-0.2 3,-0.1 -0.221 65.7 31.7 -59.6 152.8 100.2 94.6 -158.1 314 323 A G S S+ 0 0 77 99,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.949 99.4 107.1 63.2 48.7 103.4 94.0 -159.9 315 324 A L - 0 0 7 98,-0.4 100,-2.1 -3,-0.2 2,-0.4 -0.950 51.1-159.5-158.6 133.7 105.5 94.8 -156.8 316 325 A Q E -ij 220 415B 50 -97,-0.6 -95,-1.6 -2,-0.3 2,-0.4 -0.970 15.9-173.0-116.8 133.3 107.6 92.7 -154.5 317 326 A V E -ij 221 416B 0 98,-3.5 100,-1.5 -2,-0.4 2,-0.5 -0.985 14.4-159.5-130.9 138.5 108.5 94.0 -151.0 318 327 A L E +ij 222 417B 0 -97,-2.6 -95,-2.5 -2,-0.4 2,-0.3 -0.972 22.6 173.5-116.8 116.6 110.8 92.7 -148.3 319 328 A V E +ij 223 418B 0 98,-2.4 100,-0.8 -2,-0.5 2,-0.3 -0.882 4.8 143.9-124.6 156.4 110.1 94.1 -144.8 320 329 A G E -ij 224 419B 3 -97,-1.8 -95,-3.5 -2,-0.3 -94,-0.3 -0.979 25.8-144.3-178.0 167.2 111.4 93.4 -141.3 321 330 A V E - j 0 420B 5 98,-1.8 100,-2.4 -2,-0.3 2,-0.2 -0.782 27.2-105.6-134.1 176.1 112.4 94.5 -137.8 322 331 A V E > - j 0 421B 2 -2,-0.2 3,-0.7 98,-0.2 100,-0.2 -0.697 36.7-102.3-106.0 159.8 115.0 93.6 -135.2 323 332 A K T 3 S+ 0 0 103 98,-2.5 2,-0.4 1,-0.3 99,-0.1 0.879 115.5 23.3 -45.4 -51.4 114.5 91.7 -131.9 324 333 A D B 3 +p 437 0F 20 112,-2.1 114,-0.6 1,-0.1 4,-0.5 -0.671 66.6 161.8-123.3 78.8 114.5 94.8 -129.7 325 334 A E S < S+ 0 0 4 -3,-0.7 113,-0.4 -2,-0.4 4,-0.3 0.850 75.1 46.9 -64.0 -35.8 113.6 97.9 -131.8 326 335 A G S >> S+ 0 0 1 64,-0.2 3,-0.9 1,-0.1 4,-0.8 0.860 86.5 80.0 -78.0 -40.6 112.7 100.1 -128.8 327 336 A S H >> S+ 0 0 1 1,-0.2 3,-1.2 107,-0.2 4,-0.6 0.822 86.1 62.0 -32.0 -60.8 115.6 99.7 -126.2 328 337 A Y H >4 S+ 0 0 31 -4,-0.5 3,-0.9 1,-0.2 -1,-0.2 0.837 102.8 47.2 -36.2 -58.5 118.0 102.1 -128.0 329 338 A F H X4 S+ 0 0 14 -3,-0.9 3,-1.9 -4,-0.3 5,-0.3 0.716 92.4 77.7 -65.2 -25.6 115.8 105.2 -127.7 330 339 A L H XX S+ 0 0 0 -3,-1.2 4,-1.6 -4,-0.8 3,-1.2 0.812 82.3 66.2 -57.3 -32.2 114.9 104.9 -124.0 331 340 A V T << S+ 0 0 12 -3,-0.9 -1,-0.3 -4,-0.6 8,-0.1 0.443 88.5 72.1 -71.1 2.8 118.4 106.1 -122.8 332 341 A Y T <4 S- 0 0 10 -3,-1.9 234,-2.7 6,-0.1 -1,-0.3 0.126 130.5 -31.1-103.9 19.4 117.5 109.5 -124.3 333 342 A G T <4 S+ 0 0 15 -3,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.196 91.2 125.7 159.8 -31.3 114.9 110.5 -121.6 334 343 A A S >< S- 0 0 3 -4,-1.6 3,-2.2 -5,-0.3 -1,-0.3 -0.398 70.3-109.2 -59.4 113.8 113.1 107.5 -120.2 335 344 A P T 3 S+ 0 0 47 0, 0.0 18,-0.1 0, 0.0 -1,-0.1 -0.126 99.3 15.5 -48.7 133.1 113.6 107.8 -116.4 336 345 A G T 3 S+ 0 0 35 1,-0.3 2,-0.4 9,-0.1 -5,-0.1 0.441 97.9 123.5 83.2 0.2 115.9 105.2 -114.9 337 346 A F < + 0 0 18 -3,-2.2 2,-0.3 -7,-0.3 -1,-0.3 -0.765 26.1 138.6-100.0 141.1 117.3 104.2 -118.3 338 347 A S - 0 0 25 -2,-0.4 3,-0.3 3,-0.2 5,-0.1 -0.974 53.9-127.5-169.3 161.3 121.0 104.2 -119.3 339 348 A K S S+ 0 0 31 -2,-0.3 94,-0.1 1,-0.2 95,-0.1 0.649 103.0 69.8 -89.0 -18.0 123.7 102.2 -121.1 340 349 A D S S+ 0 0 94 91,-0.1 2,-0.2 -3,-0.1 -1,-0.2 0.613 110.8 13.6 -78.5 -14.1 125.9 102.4 -118.0 341 350 A N S S- 0 0 95 -3,-0.3 -3,-0.2 90,-0.0 92,-0.1 -0.698 94.9 -84.0-139.9-163.9 123.8 100.0 -115.8 342 351 A E - 0 0 128 -2,-0.2 3,-0.2 -5,-0.1 -3,-0.1 0.186 47.7-131.7 -97.8 19.7 121.0 97.6 -116.3 343 352 A S + 0 0 0 1,-0.2 2,-2.4 -5,-0.1 -6,-0.0 0.767 33.9 176.6 37.1 43.5 118.1 100.0 -116.2 344 353 A L - 0 0 78 42,-0.1 -1,-0.2 41,-0.1 39,-0.2 -0.498 21.4-162.5 -74.3 80.7 116.1 97.9 -113.7 345 354 A I - 0 0 1 -2,-2.4 2,-0.3 37,-0.5 40,-0.2 -0.119 12.5-120.2 -65.5 162.3 113.3 100.6 -113.5 346 355 A S >> - 0 0 52 39,-0.1 4,-2.7 1,-0.1 3,-0.7 -0.724 30.7-104.9-100.9 153.8 110.7 100.8 -110.8 347 356 A R H 3> S+ 0 0 34 33,-0.3 4,-2.1 -2,-0.3 5,-0.1 0.762 123.3 56.4 -46.1 -30.8 107.0 100.6 -111.4 348 357 A A H 3> S+ 0 0 69 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.943 108.7 43.2 -68.3 -50.1 107.0 104.4 -110.9 349 358 A E H <> S+ 0 0 65 -3,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.897 111.6 56.4 -62.3 -43.0 109.5 105.1 -113.6 350 359 A F H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.950 106.9 47.9 -54.3 -54.2 107.8 102.6 -115.9 351 360 A L H X S+ 0 0 61 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.833 114.1 46.7 -58.9 -33.6 104.5 104.5 -115.6 352 361 A A H >X S+ 0 0 49 -4,-1.5 4,-1.0 1,-0.2 3,-0.6 0.833 109.0 56.8 -75.7 -33.4 106.2 107.8 -116.3 353 362 A G H 3X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.755 93.3 66.4 -69.4 -26.5 108.1 106.3 -119.1 354 363 A V H 3X S+ 0 0 0 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.853 101.9 50.6 -63.8 -31.1 104.9 105.2 -120.9 355 364 A R H << S+ 0 0 93 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.843 112.3 44.0 -75.9 -33.0 104.2 108.9 -121.3 356 365 A V H < S+ 0 0 10 -4,-1.0 -71,-1.0 1,-0.2 -2,-0.2 0.902 116.4 47.4 -76.6 -38.9 107.6 109.7 -122.8 357 366 A G H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.532 118.1 43.1 -77.5 -8.2 107.5 106.6 -125.0 358 367 A V S < S- 0 0 5 -4,-0.5 -1,-0.3 -5,-0.2 3,-0.2 -0.610 87.2-162.7-139.6 76.5 104.0 107.4 -126.2 359 368 A P + 0 0 14 0, 0.0 -75,-0.1 0, 0.0 -3,-0.1 -0.024 61.1 11.5 -57.3 158.4 103.9 111.2 -126.9 360 369 A Q S S+ 0 0 125 -77,-0.3 2,-0.3 1,-0.1 -4,-0.0 0.855 90.1 131.0 32.1 70.8 100.8 113.4 -127.1 361 370 A V - 0 0 27 -3,-0.2 -1,-0.1 -6,-0.1 -3,-0.1 -0.990 57.7-100.8-145.0 147.9 98.2 110.9 -125.8 362 371 A S > - 0 0 37 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.160 31.3-110.9 -67.1 162.7 95.5 111.2 -123.2 363 372 A D H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.857 121.2 51.3 -61.0 -37.3 95.7 109.9 -119.6 364 373 A L H > S+ 0 0 100 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.825 106.5 54.8 -69.8 -31.9 93.2 107.2 -120.4 365 374 A A H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.907 107.7 49.8 -66.8 -41.7 95.2 106.2 -123.5 366 375 A A H >X S+ 0 0 5 -4,-2.0 4,-3.2 1,-0.2 3,-0.8 0.939 107.1 52.5 -62.9 -48.0 98.3 105.7 -121.3 367 376 A E H 3X S+ 0 0 112 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.857 106.9 56.1 -56.6 -32.0 96.4 103.6 -118.7 368 377 A A H 3X S+ 0 0 19 -4,-1.4 4,-1.4 2,-0.2 -1,-0.3 0.826 109.6 44.7 -67.8 -33.9 95.4 101.5 -121.8 369 378 A V H < S+ 0 0 107 -4,-2.4 3,-0.9 -5,-0.2 -1,-0.2 0.951 112.8 39.7 -57.6 -53.7 97.2 97.6 -118.9 372 381 A H H 3< S+ 0 0 78 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.832 116.6 47.5 -67.4 -38.5 98.4 95.7 -121.9 373 382 A Y T 3< S+ 0 0 19 -4,-2.4 2,-0.4 -5,-0.1 -1,-0.2 0.240 93.7 96.7 -91.4 14.1 102.2 95.9 -121.3 374 383 A T < - 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