==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-06 2J3D . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.HAREL,J.L.SUSSMAN . 532 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 5.1 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 0.6 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 . 1 0.2 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 . 34 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 3 1 3 0 1 2 1 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 2 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 PARALLEL BRIDGES PER LADDER . 1 0 2 2 1 0 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 . 0 1 0 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 4 A S > 0 0 130 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.9 35.6 33.5 52.5 2 5 A E T 3 + 0 0 52 1,-0.2 23,-0.0 3,-0.0 12,-0.0 0.768 360.0 55.0 -73.3 -28.1 34.0 33.1 49.1 3 6 A L T 3 S+ 0 0 36 11,-0.1 11,-3.7 10,-0.1 2,-0.5 0.464 95.1 79.5 -85.7 -2.4 30.9 35.1 50.1 4 7 A L E < +A 13 0A 66 -3,-0.7 2,-0.4 9,-0.2 9,-0.2 -0.928 57.0 169.6-109.3 127.2 33.0 38.1 51.1 5 8 A V E -A 12 0A 6 7,-2.1 7,-3.0 -2,-0.5 2,-0.6 -1.000 25.8-143.8-139.5 136.6 34.2 40.4 48.4 6 9 A N E -A 11 0A 93 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.879 24.4-176.7-100.8 122.2 35.8 43.8 48.6 7 10 A T E > -A 10 0A 5 3,-2.0 3,-1.4 -2,-0.6 173,-0.1 -0.677 44.9 -98.2-112.1 170.4 34.8 46.2 45.8 8 11 A K T 3 S+ 0 0 119 1,-0.3 3,-0.1 -2,-0.2 172,-0.0 0.632 127.0 47.9 -62.5 -12.4 36.0 49.7 45.0 9 12 A S T 3 S- 0 0 15 1,-0.4 42,-2.6 41,-0.1 -1,-0.3 0.535 127.8 -71.3-103.8 -11.4 32.8 50.9 46.8 10 13 A G E < -A 7 0A 11 -3,-1.4 -3,-2.0 40,-0.2 -1,-0.4 -0.743 63.7 -48.3 141.0 170.8 33.2 48.7 49.9 11 14 A K E -Ab 6 54A 92 42,-0.9 44,-2.9 40,-0.3 2,-0.4 -0.427 48.8-157.8 -73.6 147.7 33.0 45.2 51.2 12 15 A V E -Ab 5 55A 0 -7,-3.0 -7,-2.1 42,-0.2 2,-0.7 -0.989 9.8-146.1-130.7 138.4 29.9 43.1 50.3 13 16 A M E -Ab 4 56A 80 42,-3.7 44,-2.1 -2,-0.4 -9,-0.2 -0.878 23.1-171.1-105.8 104.7 28.5 40.1 52.1 14 17 A G - 0 0 5 -11,-3.7 2,-0.3 -2,-0.7 13,-0.2 0.160 13.3-126.8 -75.7-160.9 27.0 37.6 49.6 15 18 A T E -C 26 0B 34 11,-1.3 11,-2.1 42,-0.1 2,-0.6 -0.976 13.0-119.5-155.0 140.3 24.9 34.5 50.3 16 19 A R E -C 25 0B 113 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.733 35.5-171.8 -85.3 117.7 25.1 30.9 49.4 17 20 A V E -C 24 0B 28 7,-2.7 7,-1.8 -2,-0.6 2,-0.1 -0.893 23.4-115.3-112.8 140.7 21.9 29.9 47.5 18 21 A P E +C 23 0B 79 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.463 33.6 177.8 -74.0 144.1 20.9 26.4 46.4 19 22 A V - 0 0 2 3,-3.4 -2,-0.0 -2,-0.1 0, 0.0 -0.824 61.9 -29.7-153.1 109.0 20.7 25.6 42.7 20 23 A L S S- 0 0 51 -2,-0.3 3,-0.1 1,-0.2 430,-0.0 0.932 126.1 -39.2 50.3 61.4 19.8 22.3 41.2 21 24 A S S S+ 0 0 133 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.833 134.7 60.3 61.0 35.2 21.2 20.0 43.9 22 25 A S S S- 0 0 35 2,-0.0 -3,-3.4 -5,-0.0 2,-0.3 -0.892 77.2-114.1-165.5-170.7 24.3 22.3 44.5 23 26 A H E -C 18 0B 72 -5,-0.3 77,-0.4 -2,-0.3 2,-0.3 -0.895 18.7-175.0-140.2 168.7 25.0 25.8 45.5 24 27 A I E -C 17 0B 0 -7,-1.8 -7,-2.7 -2,-0.3 2,-0.3 -0.982 34.7 -92.3-159.2 160.1 26.4 29.1 44.2 25 28 A S E -CD 16 98B 1 73,-1.9 73,-2.2 -2,-0.3 2,-0.4 -0.574 35.9-173.1 -80.2 137.3 27.3 32.6 45.5 26 29 A A E -CD 15 97B 0 -11,-2.1 -11,-1.3 -2,-0.3 2,-0.8 -0.969 12.5-169.7-135.5 117.1 24.7 35.3 45.2 27 30 A F E - D 0 96B 0 69,-2.3 69,-2.2 -2,-0.4 3,-0.4 -0.848 23.5-174.9-106.4 94.0 25.4 38.9 46.0 28 31 A L E + 0 0 15 29,-1.6 31,-0.4 -2,-0.8 67,-0.2 -0.631 53.5 12.9 -93.6 147.7 21.9 40.5 45.9 29 32 A G E S+ 0 0 6 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.857 70.5 170.3 61.2 42.2 21.0 44.2 46.3 30 33 A I E - D 0 94B 0 64,-2.4 64,-2.6 -3,-0.4 2,-0.2 -0.727 31.9-127.3 -84.9 128.9 24.4 45.8 45.9 31 34 A P E + D 0 93B 0 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.540 32.7 170.5 -76.8 139.2 24.1 49.6 45.5 32 35 A F + 0 0 3 60,-1.6 16,-0.9 1,-0.3 2,-0.3 0.341 66.7 27.2-126.6 0.2 25.8 51.2 42.5 33 36 A A B S-M 47 0C 3 59,-0.7 -1,-0.3 14,-0.3 59,-0.1 -0.989 89.9 -86.9-158.1 157.9 24.3 54.7 42.8 34 37 A E - 0 0 42 12,-2.9 12,-0.4 -2,-0.3 14,-0.1 -0.421 62.2 -86.4 -69.0 142.1 23.0 57.1 45.4 35 38 A P - 0 0 31 0, 0.0 2,-3.4 0, 0.0 55,-0.2 -0.314 38.8-137.3 -51.2 108.1 19.3 56.7 46.1 36 39 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.208 58.2 135.3 -67.2 55.3 17.7 59.0 43.4 37 40 A V > - 0 0 60 -2,-3.4 3,-2.2 3,-0.1 -3,-0.0 -0.512 51.3 -6.7-104.9 171.0 15.3 60.4 46.0 38 41 A G G > S+ 0 0 41 1,-0.3 3,-2.7 2,-0.2 227,-0.0 -0.169 134.5 10.2 51.0-130.4 14.0 63.9 46.9 39 42 A N G 3 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.1 225,-0.0 0.583 128.9 65.2 -54.8 -8.6 15.7 66.7 45.0 40 43 A M G X + 0 0 35 -3,-2.2 3,-1.6 -5,-0.1 -1,-0.3 0.546 67.3 120.1 -95.1 -9.0 17.3 63.9 43.0 41 44 A R T < S+ 0 0 11 -3,-2.7 -4,-0.1 1,-0.3 3,-0.1 -0.341 87.7 9.3 -56.2 133.9 14.1 62.6 41.3 42 45 A F T 3 S+ 0 0 1 108,-0.7 121,-0.5 1,-0.3 -1,-0.3 0.104 104.3 117.9 81.5 -21.5 14.5 63.0 37.5 43 46 A R S < S- 0 0 51 -3,-1.6 -1,-0.3 118,-0.2 117,-0.1 -0.326 76.8 -90.8 -75.7 159.3 18.2 63.9 37.8 44 47 A R - 0 0 54 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.239 56.7 -90.3 -62.6 158.7 21.0 61.8 36.3 45 48 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.356 32.0-144.2 -74.6 155.2 22.4 59.1 38.7 46 49 A E - 0 0 81 -12,-0.4 -12,-2.9 -3,-0.1 3,-0.1 -0.967 30.1-103.3-117.9 132.2 25.3 59.7 41.1 47 50 A P B -M 33 0C 78 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.267 47.7 -95.6 -57.7 138.3 27.8 57.0 41.8 48 51 A K - 0 0 35 -16,-0.9 3,-0.1 1,-0.1 -14,-0.0 -0.335 38.6-118.3 -57.8 124.6 27.2 55.3 45.2 49 52 A K - 0 0 140 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.466 40.4 -98.1 -66.1 130.4 29.5 56.8 47.8 50 53 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.148 42.7-143.9 -50.1 143.1 31.8 54.1 49.2 51 54 A W - 0 0 39 -42,-2.6 -40,-0.3 2,-0.1 2,-0.2 -0.858 5.1-124.7-116.0 149.4 30.5 52.7 52.4 52 55 A S S S+ 0 0 118 -2,-0.3 2,-0.1 -42,-0.1 -43,-0.0 -0.489 73.3 16.6 -85.1 159.4 32.4 51.5 55.5 53 56 A G S S- 0 0 53 -2,-0.2 -42,-0.9 2,-0.1 2,-0.5 -0.304 106.6 -41.8 79.5-164.2 31.9 48.0 56.9 54 57 A V E -b 11 0A 79 -44,-0.1 2,-0.3 -2,-0.1 -42,-0.2 -0.925 53.5-136.4-109.7 120.1 30.4 45.0 55.1 55 58 A W E -b 12 0A 62 -44,-2.9 -42,-3.7 -2,-0.5 2,-1.0 -0.576 19.8-124.6 -76.7 131.6 27.3 45.6 53.0 56 59 A N E +b 13 0A 99 -2,-0.3 2,-0.3 -44,-0.2 3,-0.3 -0.659 37.9 167.5 -81.1 104.7 24.6 42.9 53.5 57 60 A A + 0 0 0 -44,-2.1 -29,-1.6 -2,-1.0 -28,-0.1 -0.538 42.8 103.3-114.7 62.2 23.9 41.6 50.0 58 61 A S S S+ 0 0 38 -2,-0.3 2,-0.3 -31,-0.2 -1,-0.2 0.558 72.5 52.3-116.1 -18.2 21.9 38.5 50.9 59 62 A T S S- 0 0 95 -31,-0.4 -1,-0.0 -3,-0.3 -44,-0.0 -0.792 91.8 -92.1-118.2 162.6 18.4 39.6 50.1 60 63 A Y - 0 0 31 -2,-0.3 -2,-0.1 -32,-0.1 -32,-0.1 -0.454 41.2-120.6 -73.6 146.2 16.8 41.2 47.0 61 64 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.123 37.6 -82.0 -75.8 176.2 16.6 45.0 46.7 62 65 A N - 0 0 58 28,-0.3 2,-0.3 23,-0.1 31,-0.2 -0.443 43.2-114.2 -79.7 158.0 13.5 47.0 46.3 63 66 A N B -n 87 0D 3 23,-2.9 25,-2.8 -2,-0.1 58,-0.1 -0.675 35.6-100.7 -92.1 144.2 11.8 47.5 42.9 64 67 A a - 0 0 4 56,-0.3 25,-0.2 -2,-0.3 56,-0.2 -0.290 49.5 -88.1 -61.7 147.6 11.6 50.9 41.3 65 68 A Q S S+ 0 0 33 23,-0.2 82,-0.4 22,-0.1 2,-0.3 -0.384 70.0 152.5 -57.8 126.8 8.3 52.8 41.7 66 69 A Q - 0 0 4 -3,-0.1 2,-0.3 -2,-0.1 53,-0.2 -0.967 52.9 -83.5-152.8 167.1 6.2 51.6 38.8 67 70 A Y - 0 0 75 51,-1.2 2,-0.5 -2,-0.3 81,-0.0 -0.605 46.3-144.7 -72.2 133.6 2.7 51.1 37.4 68 71 A V - 0 0 39 -2,-0.3 2,-0.5 14,-0.1 14,-0.1 -0.915 10.3-127.9-106.1 126.3 1.6 47.7 38.6 69 72 A D + 0 0 20 -2,-0.5 13,-0.1 9,-0.2 3,-0.1 -0.627 36.1 163.6 -75.3 120.6 -0.6 45.6 36.3 70 73 A E + 0 0 144 -2,-0.5 -1,-0.1 1,-0.1 9,-0.0 -0.067 37.7 115.2-125.7 27.8 -3.7 44.4 38.1 71 74 A Q S S+ 0 0 106 1,-0.3 -1,-0.1 7,-0.0 -2,-0.0 0.881 89.3 29.5 -64.6 -38.9 -5.7 43.5 35.1 72 75 A F S > S- 0 0 34 3,-0.1 3,-2.1 -3,-0.1 6,-0.3 -0.677 87.4-155.3-126.5 76.6 -5.7 39.9 36.2 73 76 A P T 3 S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.201 78.2 3.2 -52.1 131.0 -5.4 39.7 40.0 74 77 A G T 3 S+ 0 0 62 1,-0.2 2,-0.7 2,-0.1 3,-0.1 0.537 93.7 131.7 69.0 4.0 -3.9 36.6 41.3 75 78 A F X> - 0 0 35 -3,-2.1 4,-2.4 1,-0.2 3,-1.1 -0.822 51.9-150.1 -90.2 118.9 -3.2 35.3 37.8 76 79 A S H 3> S+ 0 0 71 -2,-0.7 4,-1.6 1,-0.3 -1,-0.2 0.788 91.1 71.1 -59.3 -26.5 0.4 34.0 37.7 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 352,-0.1 0.896 113.0 23.6 -57.7 -42.0 0.5 34.9 34.1 78 81 A S H X> S+ 0 0 0 -3,-1.1 3,-1.8 -6,-0.3 4,-0.5 0.843 119.0 56.9 -94.6 -36.9 0.5 38.6 34.8 79 82 A E H >< S+ 0 0 86 -4,-2.4 3,-0.6 -7,-0.3 -3,-0.2 0.747 87.9 76.5 -69.6 -17.9 1.8 38.8 38.3 80 83 A M T 3< S+ 0 0 51 -4,-1.6 46,-0.4 -5,-0.3 -1,-0.3 0.726 102.5 44.1 -62.7 -15.6 5.0 37.0 37.3 81 84 A W T <4 S+ 0 0 45 -3,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.602 93.9 94.3-102.0 -19.1 5.8 40.4 35.9 82 85 A N S << S- 0 0 18 -3,-0.6 2,-0.1 -4,-0.5 -14,-0.1 -0.332 95.8 -79.5 -72.4 159.2 4.7 42.7 38.7 83 86 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.396 38.9-166.5 -59.2 127.3 7.3 43.9 41.4 84 87 A N + 0 0 52 -2,-0.1 2,-0.2 -4,-0.1 3,-0.0 0.372 69.9 54.1 -99.1 4.4 7.8 41.0 43.8 85 88 A R S S- 0 0 103 1,-0.1 -23,-0.1 0, 0.0 38,-0.0 -0.779 105.0 -66.8-128.3 172.2 9.5 43.2 46.3 86 89 A E - 0 0 144 -2,-0.2 -23,-2.9 1,-0.1 2,-0.4 -0.258 53.0-122.5 -58.4 145.1 8.8 46.5 48.0 87 90 A M B +n 63 0D 49 -25,-0.2 2,-0.3 -4,-0.1 -23,-0.2 -0.787 42.8 152.7 -96.2 136.6 8.6 49.5 45.7 88 91 A S - 0 0 37 -25,-2.8 -23,-0.2 -2,-0.4 -26,-0.0 -0.969 54.0-128.5-163.1 142.1 10.8 52.5 46.3 89 92 A E S S+ 0 0 28 -2,-0.3 2,-1.6 -25,-0.2 3,-0.2 0.810 104.8 76.7 -59.0 -28.8 12.5 55.4 44.4 90 93 A D + 0 0 42 1,-0.2 -28,-0.3 -55,-0.2 -1,-0.2 -0.718 64.0 118.0 -81.9 92.3 15.7 54.1 46.2 91 94 A a + 0 0 2 -2,-1.6 2,-2.0 -30,-0.1 -27,-0.2 0.301 18.7 121.0-144.5 6.4 16.0 51.2 43.8 92 95 A L + 0 0 1 -3,-0.2 -60,-1.6 -59,-0.1 -59,-0.7 -0.499 44.6 127.3 -80.7 75.7 19.3 51.5 41.9 93 96 A Y E -D 31 0B 26 -2,-2.0 2,-0.3 -31,-0.2 80,-0.1 -0.816 44.3-145.8-124.9 165.3 20.8 48.2 43.0 94 97 A L E -D 30 0B 0 -64,-2.6 -64,-2.4 -2,-0.3 2,-0.4 -0.990 5.7-145.2-136.8 144.6 22.3 45.3 41.1 95 98 A N E - E 0 142B 0 47,-2.3 47,-3.0 -2,-0.3 2,-0.4 -0.858 12.9-164.1-110.4 145.6 22.4 41.5 41.7 96 99 A I E -DE 27 141B 0 -69,-2.2 -69,-2.3 -2,-0.4 2,-0.5 -0.970 11.2-162.1-132.4 142.6 25.2 39.1 41.0 97 100 A W E -DE 26 140B 4 43,-2.3 43,-2.1 -2,-0.4 -71,-0.2 -0.965 15.3-174.8-125.0 112.2 25.4 35.3 40.7 98 101 A V E -D 25 0B 0 -73,-2.2 -73,-1.9 -2,-0.5 41,-0.1 -0.913 26.5-115.9-111.6 132.5 29.0 33.9 40.9 99 102 A P - 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0 0 0 95,-0.3 95,-0.1 -24,-0.1 -1,-0.1 -0.977 50.9-177.2-164.0 153.6 13.3 44.6 21.3 225 228 A S > - 0 0 0 -2,-0.3 3,-2.5 1,-0.1 -24,-0.3 -0.983 38.8-113.4-158.5 147.9 15.4 47.2 19.4 226 229 A P T 3 S+ 0 0 1 0, 0.0 76,-0.1 0, 0.0 -25,-0.1 0.803 116.1 50.9 -48.7 -37.9 16.6 50.8 19.8 227 230 A N T 3 S+ 0 0 33 173,-0.2 5,-0.1 75,-0.1 174,-0.0 0.295 74.4 136.0 -88.7 9.6 14.5 51.9 16.9 228 231 A C X> - 0 0 2 -3,-2.5 3,-1.9 1,-0.2 4,-0.6 -0.389 64.8-122.9 -58.9 130.1 11.2 50.3 18.1 229 232 A P T 34 S+ 0 0 49 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.710 114.0 41.9 -46.3 -25.5 8.5 53.0 17.5 230 233 A W T 34 S+ 0 0 4 166,-0.3 57,-0.3 1,-0.1 -2,-0.1 0.639 94.9 82.8 -96.5 -19.2 7.6 52.8 21.2 231 234 A A T <4 S- 0 0 0 -3,-1.9 2,-0.3 -6,-0.2 -1,-0.1 0.635 102.9 -1.3 -63.5 -16.7 11.3 52.7 22.4 232 235 A S < - 0 0 22 -4,-0.6 2,-0.3 -3,-0.2 60,-0.2 -0.965 54.9-149.1-161.7 178.3 11.7 56.5 22.1 233 236 A V B -o 292 0E 19 58,-1.6 60,-2.0 -2,-0.3 -3,-0.0 -0.947 33.0 -93.9-149.7 165.3 10.4 60.0 21.4 234 237 A S > - 0 0 59 -2,-0.3 4,-2.4 58,-0.2 5,-0.1 -0.265 39.8-107.4 -76.9 171.2 11.6 63.3 20.1 235 238 A V H > S+ 0 0 37 58,-0.5 4,-2.5 2,-0.2 -79,-0.3 0.864 122.0 52.8 -67.5 -35.4 12.7 66.1 22.5 236 239 A A H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 110.9 44.8 -66.0 -44.3 9.5 67.9 21.5 237 240 A E H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.912 112.5 53.4 -66.6 -41.6 7.3 65.0 22.2 238 241 A G H X S+ 0 0 6 -4,-2.4 4,-1.7 2,-0.2 -84,-0.4 0.947 110.5 45.4 -56.9 -52.2 9.1 64.4 25.5 239 242 A R H >X S+ 0 0 78 -4,-2.5 4,-2.8 1,-0.2 3,-0.6 0.944 109.6 55.9 -56.3 -50.8 8.7 67.9 26.7 240 243 A R H 3X S+ 0 0 85 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.864 109.2 46.8 -50.9 -41.8 5.0 67.9 25.7 241 244 A R H 3X S+ 0 0 20 -4,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.782 110.3 52.7 -74.1 -27.6 4.4 64.8 27.8 242 245 A A H <>S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.2 5,-1.5 0.966 108.1 50.7 -54.3 -57.3 2.3 68.6 35.0 247 250 A R H ><5S+ 0 0 130 -4,-3.1 3,-1.0 1,-0.3 -1,-0.2 0.802 105.6 58.7 -51.3 -32.0 -1.0 69.8 33.8 248 251 A N H 3<5S+ 0 0 47 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.739 110.2 42.9 -70.9 -23.2 -2.5 66.5 35.1 249 252 A L T <<5S- 0 0 17 -3,-2.2 -1,-0.3 -4,-0.9 -2,-0.2 -0.153 117.2-104.0-116.3 38.3 -1.2 67.3 38.6 250 253 A N T < 5 + 0 0 155 -3,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.893 66.8 165.8 40.5 50.3 -2.2 70.9 38.9 251 254 A b < - 0 0 12 -5,-1.5 2,-0.8 -8,-0.2 -1,-0.2 -0.713 47.5-105.3 -97.1 148.9 1.5 71.8 38.4 252 255 A N > - 0 0 87 6,-0.5 3,-0.6 -2,-0.3 10,-0.2 -0.617 33.3-172.9 -72.8 108.6 2.8 75.3 37.6 253 256 A L T 3 + 0 0 55 -2,-0.8 -1,-0.2 1,-0.2 3,-0.1 0.199 58.7 98.2 -90.7 18.1 3.7 74.9 33.9 254 257 A N T 3 S+ 0 0 148 1,-0.2 2,-0.3 4,-0.1 -1,-0.2 0.665 88.3 19.2 -81.1 -17.6 5.3 78.4 33.8 255 258 A S <> - 0 0 40 -3,-0.6 4,-1.6 1,-0.1 5,-0.3 -0.985 67.3-125.8-154.9 142.2 8.9 77.3 34.1 256 259 A D H > S+ 0 0 47 -2,-0.3 4,-1.1 1,-0.2 5,-0.1 0.795 113.1 56.3 -53.5 -26.6 10.9 74.1 33.7 257 260 A E H > S+ 0 0 147 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.957 111.1 35.2 -72.3 -55.9 12.0 74.7 37.2 258 261 A E H > S+ 0 0 83 2,-0.2 4,-1.2 1,-0.2 -6,-0.5 0.530 109.7 64.5 -81.5 -4.1 8.7 74.9 39.1 259 262 A L H X S+ 0 0 3 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.884 113.9 34.9 -78.2 -41.5 7.2 72.3 36.9 260 263 A I H X S+ 0 0 0 -4,-1.1 4,-3.0 -5,-0.3 -2,-0.2 0.835 110.4 62.2 -77.0 -36.5 9.8 69.9 38.3 261 264 A H H < S+ 0 0 97 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.930 111.6 42.8 -53.3 -41.0 9.6 71.7 41.7 262 265 A b H >X S+ 0 0 18 -4,-1.2 3,-1.6 -10,-0.2 4,-0.9 0.946 111.4 50.2 -69.8 -53.2 6.0 70.5 41.5 263 266 A L H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.3 -2,-0.2 0.845 106.9 57.4 -57.1 -35.6 6.6 66.9 40.2 264 267 A R T 3< S+ 0 0 46 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.650 104.2 52.1 -71.2 -15.4 9.2 66.4 43.0 265 268 A E T <4 S+ 0 0 146 -3,-1.6 -1,-0.2 -4,-0.4 2,-0.2 0.628 90.7 94.7 -94.9 -14.3 6.7 67.1 45.7 266 269 A K S << S- 0 0 52 -4,-0.9 5,-0.0 -3,-0.6 -17,-0.0 -0.532 84.0-112.2 -78.6 142.1 4.1 64.6 44.3 267 270 A K >> - 0 0 152 -2,-0.2 4,-1.1 1,-0.1 3,-0.9 -0.415 31.4-110.7 -68.5 150.1 4.1 61.2 45.8 268 271 A P H >> S+ 0 0 26 0, 0.0 4,-2.2 0, 0.0 3,-1.0 0.904 117.5 53.7 -47.7 -50.4 5.3 58.5 43.4 269 272 A Q H 3> S+ 0 0 87 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.808 100.8 61.3 -57.7 -31.7 1.8 56.9 43.1 270 273 A E H <> S+ 0 0 77 -3,-0.9 4,-0.9 1,-0.2 -1,-0.3 0.863 107.9 43.9 -63.5 -35.8 0.4 60.3 42.2 271 274 A L H << S+ 0 0 4 -4,-1.1 4,-0.4 -3,-1.0 3,-0.3 0.906 112.3 52.3 -73.8 -43.8 2.6 60.4 39.1 272 275 A I H >< S+ 0 0 5 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.870 103.5 58.2 -60.6 -39.9 1.8 56.7 38.3 273 276 A D H 3< S+ 0 0 109 -4,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.868 116.2 32.9 -60.4 -39.4 -1.9 57.3 38.4 274 277 A V T >< S+ 0 0 22 -4,-0.9 3,-0.8 -3,-0.3 -1,-0.3 0.297 91.6 106.5-101.0 9.6 -1.9 60.0 35.7 275 278 A E G X S+ 0 0 6 -3,-0.9 3,-1.0 -4,-0.4 -1,-0.2 0.854 77.6 45.6 -55.1 -48.7 1.0 58.5 33.8 276 279 A W G > S+ 0 0 76 -4,-0.4 3,-1.4 -3,-0.2 -1,-0.2 0.608 93.3 81.9 -76.2 -11.5 -0.8 57.1 30.8 277 280 A N G < S+ 0 0 94 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.621 83.1 62.4 -69.7 -11.7 -2.8 60.3 30.3 278 281 A V G < S+ 0 0 1 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.1 0.496 72.0 114.8 -94.6 -2.4 0.1 61.9 28.5 279 282 A L < - 0 0 30 -3,-1.4 9,-0.1 1,-0.1 10,-0.0 -0.402 68.1-132.7 -65.2 143.7 0.2 59.5 25.6 280 283 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.915 80.7 23.2 -63.9 -45.4 -0.8 61.3 22.3 281 284 A F S S- 0 0 104 74,-0.1 2,-0.4 -3,-0.0 78,-0.1 -0.802 85.7 -98.8-125.3 163.3 -3.2 58.8 21.0 282 285 A D S S+ 0 0 144 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.660 73.9 127.1 -72.6 132.6 -5.5 56.0 22.3 283 286 A S - 0 0 31 -2,-0.4 2,-0.3 3,-0.1 73,-0.2 -0.942 55.5-113.9-167.7-172.6 -3.3 53.0 21.5 284 287 A I S S+ 0 0 11 71,-1.4 3,-0.1 -2,-0.3 45,-0.1 -0.941 91.0 29.3-139.3 155.3 -1.5 49.8 22.5 285 288 A F S S+ 0 0 5 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.867 93.1 115.4 58.7 39.1 2.2 49.1 22.6 286 289 A R - 0 0 31 -3,-0.1 2,-0.4 -55,-0.0 -1,-0.2 -0.996 46.5-164.9-136.3 138.8 2.9 52.8 23.5 287 290 A F - 0 0 12 -2,-0.4 3,-0.2 -57,-0.3 -171,-0.0 -0.959 19.5-130.8-129.7 145.9 4.4 54.0 26.7 288 291 A S S S+ 0 0 1 -2,-0.4 2,-0.7 1,-0.2 -1,-0.2 0.972 88.6 31.7 -58.8 -69.0 4.5 57.5 28.2 289 292 A F S S+ 0 0 5 -173,-0.1 -141,-0.3 -136,-0.1 -1,-0.2 -0.851 76.0 141.7-105.3 112.8 8.0 58.2 29.3 290 293 A V - 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