==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JAN-09 2W9I . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR A.PAZ,Y.XU,H.M.GREENBLATT,E.ROTH,Y.ASHANI,V.L.SHNYROV, . 527 3 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.3 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 . 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 . 29 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 27.5 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 2 0 3 2 1 0 3 0 0 2 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 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 . 3 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 0 123 0, 0.0 3,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.6 -12.2 87.9 35.8 2 5 A E T 3 + 0 0 58 1,-0.2 23,-0.0 3,-0.0 12,-0.0 0.695 360.0 56.6 -64.1 -21.9 -9.1 86.6 37.4 3 6 A L T 3 S+ 0 0 29 11,-0.1 11,-2.3 10,-0.1 2,-0.5 0.443 91.5 81.4 -95.4 3.6 -11.1 85.1 40.2 4 7 A L E < +A 13 0A 66 -3,-1.3 2,-0.4 9,-0.2 9,-0.2 -0.922 55.4 175.8-113.2 128.7 -13.3 83.0 38.1 5 8 A V E -A 12 0A 4 7,-2.5 7,-2.6 -2,-0.5 2,-0.6 -0.996 20.7-148.0-135.5 132.5 -12.0 79.7 36.8 6 9 A N E +A 11 0A 97 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.855 26.7 175.9 -96.0 122.3 -13.9 77.0 34.8 7 10 A T E > -A 10 0A 9 3,-2.0 3,-1.6 -2,-0.6 173,-0.1 -0.716 48.0 -96.8-118.8 173.6 -12.7 73.5 35.5 8 11 A K T 3 S+ 0 0 121 1,-0.3 3,-0.1 -2,-0.2 172,-0.0 0.700 126.4 47.8 -59.0 -21.0 -13.8 70.0 34.4 9 12 A S T 3 S- 0 0 14 1,-0.4 42,-2.2 41,-0.1 -1,-0.3 0.523 127.5 -78.5 -94.4 -6.7 -15.9 69.8 37.6 10 13 A G E < -A 7 0A 12 -3,-1.6 -3,-2.0 40,-0.2 -1,-0.4 -0.751 64.8 -42.5 130.5 175.7 -17.6 73.2 37.3 11 14 A K E -Ab 6 54A 94 42,-0.9 44,-2.9 40,-0.3 2,-0.4 -0.568 48.9-163.6 -85.3 148.8 -16.8 76.9 37.9 12 15 A V E -Ab 5 55A 0 -7,-2.6 -7,-2.5 42,-0.2 2,-0.5 -0.960 5.7-153.2-131.2 140.1 -15.0 78.0 40.9 13 16 A M E -Ab 4 56A 78 42,-3.1 44,-3.2 -2,-0.4 -9,-0.2 -0.974 16.8-176.7-122.3 124.5 -14.7 81.5 42.3 14 17 A G - 0 0 5 -11,-2.3 2,-0.3 -2,-0.5 13,-0.2 0.123 17.6-118.4 -95.8-152.3 -11.8 82.6 44.4 15 18 A T E -C 26 0B 42 11,-1.9 11,-2.0 42,-0.2 2,-0.3 -0.984 21.2-111.4-155.8 147.6 -10.7 85.7 46.4 16 19 A R E -C 25 0B 122 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.691 34.8-168.0 -85.4 138.8 -7.8 88.2 46.2 17 20 A V E -C 24 0B 24 7,-3.3 7,-2.1 -2,-0.3 2,-0.2 -0.976 18.9-122.1-129.9 141.0 -5.5 88.0 49.1 18 21 A P E +C 23 0B 76 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.580 29.8 177.0 -81.9 148.0 -2.7 90.5 50.1 19 22 A V E > -C 22 0B 2 3,-1.9 3,-1.5 -2,-0.2 -2,-0.0 -0.918 68.2 -21.7-149.4 118.5 0.9 89.3 50.4 20 23 A L T 3 S- 0 0 53 -2,-0.3 3,-0.1 1,-0.3 430,-0.0 0.914 127.1 -50.8 46.1 50.0 3.9 91.4 51.2 21 24 A S T 3 S+ 0 0 130 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.773 129.4 81.3 52.8 32.6 2.0 94.5 50.1 22 25 A S E < S-C 19 0B 42 -3,-1.5 -3,-1.9 -5,-0.0 2,-0.3 -0.660 73.7-124.5-130.5-157.9 0.9 93.0 46.8 23 26 A H E +C 18 0B 81 -5,-0.3 77,-0.3 -2,-0.2 2,-0.3 -0.974 22.6 176.2-146.0 158.5 -1.9 90.7 46.1 24 27 A I E -C 17 0B 1 -7,-2.1 -7,-3.3 -2,-0.3 2,-0.3 -0.912 33.6 -95.8-148.6-178.3 -2.6 87.3 44.5 25 28 A S E -CD 16 98B 2 73,-2.2 73,-2.7 -2,-0.3 2,-0.4 -0.746 29.9-168.2-105.2 155.1 -5.6 85.0 44.0 26 29 A A E -CD 15 97B 0 -11,-2.0 -11,-1.9 -2,-0.3 2,-0.6 -1.000 13.1-163.7-142.6 133.8 -6.6 82.1 46.2 27 30 A F E - D 0 96B 1 69,-2.7 69,-2.8 -2,-0.4 3,-0.3 -0.943 25.8-175.5-119.1 101.2 -9.2 79.3 45.5 28 31 A L E + 0 0 17 29,-2.5 31,-0.5 -2,-0.6 67,-0.2 -0.779 53.7 17.3-104.7 144.4 -9.8 77.9 48.9 29 32 A G E + 0 0 5 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.842 69.2 168.1 74.1 36.1 -11.9 74.9 49.8 30 33 A I E - D 0 94B 0 64,-2.6 64,-3.1 -3,-0.3 2,-0.2 -0.716 31.1-131.8 -83.1 129.8 -12.3 73.2 46.4 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.568 29.0 173.3 -81.3 142.7 -13.8 69.7 46.7 32 35 A F + 0 0 2 60,-1.7 16,-0.7 -2,-0.2 2,-0.3 0.411 66.9 28.0-127.5 0.9 -12.1 66.9 44.8 33 36 A A B S-M 47 0C 3 59,-0.8 -1,-0.2 14,-0.3 15,-0.1 -0.949 90.1 -88.9-147.1 164.8 -14.0 63.9 46.1 34 37 A E - 0 0 41 12,-3.1 12,-0.4 -2,-0.3 14,-0.1 -0.603 60.5 -88.4 -69.0 141.3 -17.5 63.1 47.5 35 38 A P - 0 0 26 0, 0.0 2,-1.8 0, 0.0 55,-0.2 -0.295 36.4-137.3 -48.2 120.9 -17.8 63.6 51.3 36 39 A P + 0 0 3 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.378 56.4 133.8 -87.1 60.9 -16.8 60.2 52.7 37 40 A V > + 0 0 61 -2,-1.8 3,-2.3 3,-0.1 2,-0.1 -0.577 51.6 2.2-108.2 170.1 -19.6 60.2 55.3 38 41 A G G > S+ 0 0 49 1,-0.3 3,-1.9 2,-0.2 0, 0.0 -0.341 136.6 0.9 60.9-132.8 -22.2 57.6 56.5 39 42 A N G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -2,-0.1 225,-0.0 0.559 129.8 68.2 -63.0 -7.8 -21.8 54.3 54.8 40 43 A M G X + 0 0 51 -3,-2.3 3,-2.5 -5,-0.1 -1,-0.3 0.662 69.3 115.5 -85.6 -14.2 -18.8 55.8 52.9 41 44 A R T < S+ 0 0 12 -3,-1.9 -4,-0.1 1,-0.3 3,-0.1 -0.302 87.4 13.4 -57.0 138.5 -16.6 56.1 56.1 42 45 A F T 3 S+ 0 0 2 108,-0.5 121,-0.5 1,-0.2 -1,-0.3 0.221 105.9 120.7 72.5 -11.6 -13.6 53.9 55.7 43 46 A R S < S- 0 0 51 -3,-2.5 -1,-0.2 118,-0.2 117,-0.1 -0.464 76.5 -90.3 -78.6 151.7 -14.3 53.5 51.9 44 47 A R - 0 0 94 115,-0.4 -1,-0.1 -2,-0.1 121,-0.1 -0.231 57.5-102.7 -40.6 139.0 -12.1 54.4 49.0 45 48 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.359 32.4-141.7 -73.1 159.4 -12.9 57.9 48.1 46 49 A E - 0 0 94 -12,-0.4 -12,-3.1 -3,-0.1 3,-0.1 -0.916 26.0 -94.3-116.7 155.4 -15.1 58.7 45.1 47 50 A P B -M 33 0C 91 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.222 46.8-101.3 -60.6 141.9 -14.7 61.6 42.6 48 51 A K - 0 0 44 -16,-0.7 -14,-0.1 -15,-0.1 3,-0.0 -0.431 35.9-117.4 -64.2 136.3 -16.7 64.8 43.3 49 52 A K - 0 0 75 -2,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.656 38.8-105.5 -70.7 128.2 -19.9 65.0 41.2 50 53 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.189 37.0-144.9 -56.8 147.7 -19.6 68.1 38.9 51 54 A W - 0 0 37 -42,-2.2 -40,-0.3 2,-0.1 2,-0.2 -0.840 3.4-135.6-116.7 149.7 -21.7 71.0 40.0 52 55 A S S S+ 0 0 116 -2,-0.3 -43,-0.0 -42,-0.1 2,-0.0 -0.550 73.7 31.6 -91.0 168.6 -23.6 73.5 37.9 53 56 A G S S- 0 0 52 -2,-0.2 -42,-0.9 1,-0.0 2,-0.5 -0.277 105.9 -44.7 79.0-169.9 -23.3 77.2 39.1 54 57 A V E -b 11 0A 88 -44,-0.1 2,-0.4 -42,-0.0 -42,-0.2 -0.899 45.2-138.7-114.6 119.8 -20.3 78.8 40.8 55 58 A W E -b 12 0A 70 -44,-2.9 -42,-3.1 -2,-0.5 2,-0.9 -0.618 20.7-130.7 -75.6 123.2 -18.4 77.2 43.8 56 59 A N E +b 13 0A 114 -2,-0.4 3,-0.3 -44,-0.2 -42,-0.1 -0.668 35.0 169.5 -73.9 106.8 -17.6 79.8 46.4 57 60 A A + 0 0 0 -44,-3.2 -29,-2.5 -2,-0.9 -42,-0.2 -0.416 42.1 107.4-115.3 52.5 -13.9 79.1 47.0 58 61 A S S S+ 0 0 38 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.2 0.497 72.1 54.0-107.0 -10.9 -13.2 82.2 49.1 59 62 A T S S- 0 0 87 -31,-0.5 -1,-0.1 -3,-0.3 -44,-0.0 -0.959 86.8 -98.4-132.9 149.5 -12.9 80.4 52.5 60 63 A Y - 0 0 37 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.202 42.1-123.4 -56.3 145.7 -10.9 77.6 54.0 61 64 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.336 35.1 -80.8 -82.1 171.8 -12.6 74.2 54.2 62 65 A N - 0 0 52 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.196 46.0-117.7 -56.6 162.3 -13.2 72.1 57.4 63 66 A N B -n 87 0D 3 23,-2.3 25,-3.1 58,-0.1 27,-0.1 -0.778 35.5 -94.7-100.7 153.5 -10.3 70.0 58.7 64 67 A a - 0 0 3 56,-0.3 25,-0.2 -2,-0.3 56,-0.1 -0.283 51.6 -85.6 -65.7 149.8 -10.6 66.2 58.9 65 68 A Q + 0 0 31 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.359 69.4 155.2 -56.6 133.3 -11.7 64.6 62.2 66 69 A Q - 0 0 3 -3,-0.1 53,-0.1 80,-0.1 2,-0.1 -1.000 50.4 -87.3-163.5 155.2 -8.7 64.2 64.4 67 70 A Y - 0 0 84 51,-0.9 2,-0.5 -2,-0.3 81,-0.0 -0.450 44.7-143.3 -63.5 137.9 -7.1 63.9 67.8 68 71 A V - 0 0 42 -2,-0.1 2,-0.4 14,-0.1 14,-0.1 -0.934 11.4-126.6-114.5 123.3 -6.4 67.4 69.1 69 72 A D + 0 0 25 -2,-0.5 3,-0.1 9,-0.2 13,-0.1 -0.589 36.3 164.0 -74.4 123.0 -3.2 67.9 71.1 70 73 A E + 0 0 138 -2,-0.4 -1,-0.1 1,-0.1 9,-0.0 0.098 37.4 115.5-123.4 16.9 -4.0 69.5 74.5 71 74 A Q S S+ 0 0 108 1,-0.2 -1,-0.1 7,-0.0 -2,-0.0 0.851 92.4 25.5 -51.6 -37.4 -0.8 68.7 76.3 72 75 A F S > S- 0 0 35 3,-0.1 3,-2.9 -3,-0.1 -1,-0.2 -0.539 85.2-158.0-128.8 68.1 -0.1 72.5 76.5 73 76 A P T 3 S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.116 80.7 10.1 -49.6 138.7 -3.5 74.3 76.4 74 77 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 2,-0.1 -4,-0.0 0.292 95.2 125.7 76.6 -12.0 -2.9 77.9 75.2 75 78 A F X> - 0 0 36 -3,-2.9 4,-1.9 1,-0.2 3,-0.7 -0.658 53.2-150.0 -86.0 127.3 0.7 77.4 74.2 76 79 A S H 3> S+ 0 0 70 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.856 88.2 70.5 -70.2 -28.2 1.4 78.4 70.6 77 80 A G H 34 S+ 0 0 1 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.863 114.2 25.6 -54.7 -37.9 4.2 75.9 70.1 78 81 A S H X4 S+ 0 0 1 -3,-0.7 3,-1.3 -6,-0.2 4,-0.2 0.801 118.6 58.1 -91.4 -35.6 1.7 73.0 70.1 79 82 A E H >< S+ 0 0 77 -4,-1.9 3,-1.3 1,-0.3 -2,-0.2 0.729 87.5 72.4 -80.5 -19.6 -1.4 74.7 69.0 80 83 A M T 3< S+ 0 0 57 -4,-2.2 46,-0.3 1,-0.2 -1,-0.3 0.666 100.8 50.4 -62.6 -15.5 -0.1 76.0 65.7 81 84 A W T < S+ 0 0 50 -3,-1.3 -1,-0.2 -5,-0.2 39,-0.2 0.523 93.2 95.0 -93.4 -14.2 -0.3 72.3 64.6 82 85 A N S < S- 0 0 21 -3,-1.3 -14,-0.1 -4,-0.2 2,-0.1 -0.372 93.2 -83.8 -79.3 156.1 -3.9 71.8 65.8 83 86 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.391 34.8-167.5 -57.1 139.1 -6.9 72.2 63.5 84 87 A N + 0 0 64 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.155 69.0 58.1-116.2 15.6 -7.9 75.8 63.2 85 88 A R S S- 0 0 108 1,-0.0 -23,-0.1 0, 0.0 38,-0.0 -0.873 103.2 -75.3-130.5 171.8 -11.2 75.1 61.5 86 89 A E - 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0 0 14 -5,-2.5 2,-0.5 -8,-0.2 -1,-0.2 -0.530 45.5-101.2 -85.8 158.5 -18.5 46.2 68.9 252 255 A N - 0 0 80 6,-0.3 3,-0.2 -2,-0.2 10,-0.2 -0.654 36.6-172.6 -70.3 124.8 -19.6 42.9 67.6 253 256 A L + 0 0 70 -2,-0.5 -1,-0.1 1,-0.1 3,-0.1 0.130 52.2 103.9-109.8 16.9 -16.4 41.1 66.5 254 257 A N S S+ 0 0 93 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.758 90.2 9.8 -77.0 -23.2 -17.8 38.0 64.7 255 258 A S S > S- 0 0 44 -3,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.987 71.4-113.8-146.2 157.9 -17.3 39.3 61.1 256 259 A D H > S+ 0 0 39 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.923 120.7 52.8 -49.5 -47.0 -15.6 42.2 59.2 257 260 A E H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 108.4 49.6 -63.4 -35.6 -19.1 43.3 58.2 258 261 A E H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -6,-0.3 0.950 114.0 44.8 -68.1 -44.6 -20.2 43.3 61.8 259 262 A L H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.946 114.8 47.4 -62.5 -49.4 -17.1 45.3 63.0 260 263 A I H X S+ 0 0 4 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.951 110.5 51.4 -62.4 -48.8 -17.3 47.8 60.2 261 264 A H H X S+ 0 0 119 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.2 0.895 112.2 46.9 -53.4 -44.1 -21.0 48.4 60.6 262 265 A b H >< S+ 0 0 20 -4,-2.0 3,-0.9 -10,-0.2 4,-0.5 0.930 111.7 50.5 -65.6 -42.3 -20.6 49.0 64.4 263 266 A L H >< S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.3 -1,-0.2 0.788 106.6 56.9 -66.6 -26.5 -17.6 51.4 63.7 264 267 A R H 3< S+ 0 0 43 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.699 101.2 55.6 -79.6 -18.2 -19.7 53.3 61.2 265 268 A E T << S+ 0 0 115 -3,-0.9 -1,-0.2 -4,-0.8 2,-0.2 0.539 89.2 97.1 -87.0 -10.9 -22.5 54.1 63.8 266 269 A K S < S- 0 0 48 -3,-0.5 5,-0.0 -4,-0.5 -17,-0.0 -0.534 83.2-111.9 -76.3 140.1 -20.0 55.7 66.2 267 270 A K >> - 0 0 146 -2,-0.2 3,-1.6 1,-0.1 4,-1.0 -0.453 34.9-109.7 -60.8 148.9 -19.7 59.5 66.3 268 271 A P H >> S+ 0 0 19 0, 0.0 4,-2.0 0, 0.0 3,-1.0 0.920 118.1 58.0 -48.7 -48.4 -16.2 60.5 65.0 269 272 A Q H 3> S+ 0 0 84 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.752 97.5 61.7 -59.1 -22.1 -15.1 61.6 68.5 270 273 A E H <> S+ 0 0 74 -3,-1.6 4,-0.5 2,-0.2 -1,-0.3 0.900 106.8 43.7 -71.7 -38.2 -15.8 58.1 69.9 271 274 A L H XX S+ 0 0 2 -4,-1.0 4,-1.2 -3,-1.0 3,-1.0 0.908 113.2 52.0 -69.8 -40.5 -13.2 56.5 67.6 272 275 A I H >< S+ 0 0 3 -4,-2.0 3,-0.7 1,-0.3 4,-0.4 0.923 101.9 61.9 -63.6 -37.3 -10.8 59.3 68.4 273 276 A D H 3< S+ 0 0 109 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.726 116.4 28.0 -62.4 -24.5 -11.2 58.8 72.1 274 277 A V H X< S+ 0 0 23 -3,-1.0 3,-2.3 -4,-0.5 4,-0.3 0.442 89.1 106.1-116.3 -0.1 -9.9 55.2 72.1 275 278 A E G X< S+ 0 0 4 -4,-1.2 3,-0.9 -3,-0.7 4,-0.1 0.788 78.9 52.4 -47.9 -42.0 -7.5 55.4 69.0 276 279 A W G > S+ 0 0 84 -4,-0.4 3,-0.7 1,-0.2 -1,-0.3 0.591 92.3 77.8 -78.9 -7.5 -4.3 55.4 71.0 277 280 A N G < S+ 0 0 91 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.577 84.2 63.0 -73.6 -9.2 -5.4 52.2 72.9 278 281 A V G < + 0 0 0 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.555 65.7 117.3 -99.1 -7.2 -4.6 49.8 70.1 279 282 A L < - 0 0 31 -3,-0.7 9,-0.1 1,-0.2 3,-0.0 -0.288 62.3-139.1 -56.2 146.8 -0.8 50.3 69.7 280 283 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.824 77.3 40.0 -85.1 -21.6 0.8 47.0 70.5 281 284 A F S S- 0 0 109 74,-0.0 2,-0.7 2,-0.0 78,-0.1 -0.875 84.6-108.1-122.8 153.6 3.7 48.4 72.5 282 285 A D S S+ 0 0 134 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.695 72.6 139.8 -65.3 113.8 4.4 51.1 75.1 283 286 A S - 0 0 22 -2,-0.7 2,-0.3 3,-0.1 3,-0.3 -0.986 51.8-128.7-157.3 161.3 6.3 53.3 72.6 284 287 A I S S+ 0 0 11 71,-1.9 3,-0.1 -2,-0.3 45,-0.1 -0.892 90.2 27.4-115.9 160.2 7.0 56.7 71.2 285 288 A F S S+ 0 0 6 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.888 92.9 121.3 58.8 40.1 6.9 57.8 67.6 286 289 A R - 0 0 30 -3,-0.3 2,-0.3 -5,-0.0 -1,-0.2 -0.995 42.5-166.5-133.9 138.8 4.2 55.1 66.9 287 290 A F - 0 0 12 -2,-0.4 3,-0.2 -57,-0.3 -11,-0.1 -0.936 20.2-131.0-132.5 150.5 0.7 55.8 65.6 288 291 A S S S+ 0 0 2 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.942 87.7 36.0 -72.4 -55.2 -2.3 53.7 65.4 289 292 A F S S+ 0 0 6 -136,-0.1 -141,-0.3 -48,-0.0 -1,-0.2 -0.868 73.5 143.4-113.7 107.0 -3.7 53.8 61.9 290 293 A V - 0 0 3 -2,-0.7 -126,-0.2 -138,-0.3 -58,-0.1 -0.811 55.8 -59.7-135.7 169.5 -1.2 54.1 59.2 291 294 A P - 0 0 0 0, 0.0 -58,-1.6 0, 0.0 2,-0.4 -0.122 52.4-139.9 -49.3 150.0 -0.8 52.8 55.6 292 295 A V E -o 233 0E 1 -60,-0.2 2,-1.5 -3,-0.1 6,-0.3 -0.948 17.8-119.5-119.5 140.3 -0.7 48.9 55.2 293 296 A I E +o 234 0E 39 -60,-2.2 -58,-0.5 -2,-0.4 8,-0.1 -0.597 51.3 162.7 -75.9 94.2 1.5 46.9 52.9 294 297 A D - 0 0 17 -2,-1.5 -1,-0.2 -60,-0.1 7,-0.1 0.506 51.9-116.0-101.9 -7.8 -1.5 45.5 51.1 295 298 A G S S+ 0 0 44 3,-1.2 -2,-0.1 5,-0.2 6,-0.0 0.509 104.6 60.6 78.5 -0.3 -0.4 44.1 47.8 296 299 A E S S+ 0 0 98 2,-0.2 -1,-0.1 4,-0.1 -3,-0.1 0.642 111.0 26.1-121.4 -71.4 -2.4 46.7 45.9 297 300 A F S S+ 0 0 11 1,-0.3 -86,-0.3 -5,-0.2 -85,-0.1 0.938 142.1 30.6 -52.8 -49.4 -1.3 50.3 46.7 298 301 A F S S- 0 0 0 -6,-0.3 -3,-1.2 -89,-0.1 -1,-0.3 -0.959 80.8-161.4-109.7 110.6 2.0 48.7 47.5 299 302 A P S S- 0 0 47 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.841 71.5 -2.3 -70.8 -29.6 2.4 45.6 45.3 300 303 A T S S- 0 0 65 1,-0.1 -5,-0.2 -3,-0.1 -6,-0.1 -0.832 104.0 -49.2-141.0-173.2 5.1 44.1 47.5 301 304 A S > - 0 0 60 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.201 54.0-118.4 -57.7 149.0 7.2 44.9 50.6 302 305 A L H > S+ 0 0 14 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.920 111.6 53.1 -58.0 -42.4 8.7 48.3 50.6 303 306 A E H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 108.2 48.2 -62.5 -41.4 12.3 47.0 50.7 304 307 A S H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 6,-0.3 0.917 112.1 50.0 -69.1 -38.3 11.9 44.6 47.8 305 308 A M H X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-0.7 0.945 113.7 47.1 -56.7 -46.9 10.3 47.5 45.7 306 309 A L H ><5S+ 0 0 2 -4,-3.1 3,-0.6 -5,-0.2 -2,-0.2 0.916 113.2 48.3 -61.4 -39.2 13.3 49.6 46.8 307 310 A N H 3<5S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.851 113.9 43.8 -73.0 -32.9 15.8 46.9 45.9 308 311 A S H 3<5S- 0 0 82 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.372 110.9-112.8 -96.9 5.0 14.4 46.1 42.5 309 312 A G T <<5 + 0 0 5 -4,-0.7 2,-2.0 -3,-0.6 -3,-0.2 0.788 58.4 159.2 72.5 25.5 13.9 49.7 41.3 310 313 A N < + 0 0 51 -5,-2.0 2,-0.3 -6,-0.3 -1,-0.2 -0.558 42.4 79.4 -85.5 83.8 10.2 49.3 41.3 311 314 A F S S- 0 0 2 -2,-2.0 -103,-0.2 -3,-0.1 2,-0.2 -0.976 90.3 -63.1-177.1 161.9 9.4 53.0 41.5 312 315 A K - 0 0 38 -105,-2.3 2,-0.7 -2,-0.3 -2,-0.0 -0.434 44.8-144.0 -63.6 126.7 9.1 56.2 39.7 313 316 A K + 0 0 108 -2,-0.2 2,-0.2 99,-0.1 -1,-0.1 -0.853 52.8 106.5 -89.4 105.4 12.5 57.3 38.3 314 317 A T S S- 0 0 9 -2,-0.7 99,-2.6 100,-0.1 100,-0.5 -0.728 72.4 -62.0-153.7-157.8 12.7 61.1 38.4 315 318 A Q - 0 0 25 -98,-0.3 -96,-1.3 -2,-0.2 2,-0.3 -0.752 45.6-167.6 -97.9 150.2 14.6 63.7 40.6 316 319 A I E -ij 219 415B 0 98,-3.1 100,-2.3 -2,-0.3 2,-0.4 -0.996 13.7-164.9-139.8 148.8 14.1 64.1 44.3 317 320 A L E +ij 220 416B 0 -98,-1.6 -96,-1.9 -2,-0.3 2,-0.3 -0.995 31.1 146.3-126.9 126.1 15.1 66.7 46.9 318 321 A L E +ij 221 417B 0 98,-2.8 100,-2.0 -2,-0.4 2,-0.3 -0.981 10.5 148.2-159.9 164.0 14.9 65.6 50.5 319 322 A G E -ij 222 418B 0 -98,-1.6 -96,-3.0 -2,-0.3 -95,-0.4 -0.986 27.4-111.1 178.4-173.7 16.5 66.0 53.9 320 323 A V E - j 0 419B 0 98,-1.5 100,-2.9 -2,-0.3 2,-0.2 -0.890 22.6-112.4-139.1 160.8 16.1 66.1 57.7 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.7 98,-0.2 100,-0.2 -0.649 33.0-115.0 -91.7 158.8 16.4 68.4 60.7 322 325 A K T 3 S+ 0 0 89 98,-1.8 2,-0.2 1,-0.3 3,-0.2 0.820 107.9 31.4 -65.7 -29.9 19.1 68.1 63.3 323 326 A D B > +p 436 0F 18 112,-2.0 3,-0.7 1,-0.1 114,-0.6 -0.412 66.3 152.1-128.9 66.5 17.0 67.2 66.2 324 327 A E T < + 0 0 1 -3,-0.7 3,-0.3 1,-0.2 4,-0.3 0.773 69.6 56.8 -64.1 -26.4 14.0 65.2 64.8 325 328 A G T >> S+ 0 0 0 64,-0.4 4,-1.0 1,-0.2 3,-0.8 0.706 79.6 85.4 -84.8 -18.2 13.4 63.2 68.0 326 329 A S H X> S+ 0 0 0 -3,-0.7 4,-2.2 107,-0.3 3,-0.7 0.829 83.6 56.4 -60.2 -37.6 12.9 65.8 70.7 327 330 A F H 3> S+ 0 0 26 -3,-0.3 4,-1.6 -4,-0.3 -1,-0.3 0.885 109.8 47.1 -57.4 -41.6 9.2 66.4 70.2 328 331 A F H <4 S+ 0 0 31 -3,-0.8 5,-0.4 -4,-0.3 -1,-0.3 0.632 108.4 53.1 -81.2 -19.4 8.4 62.8 70.8 329 332 A L H XX S+ 0 0 0 -4,-1.0 4,-1.4 -3,-0.7 3,-0.5 0.855 107.1 53.7 -81.7 -38.4 10.6 62.5 73.9 330 333 A L H 3< S+ 0 0 11 -4,-2.2 2,-1.4 1,-0.3 -2,-0.2 0.901 105.2 56.1 -55.2 -43.2 8.8 65.4 75.4 331 334 A Y T 3< S- 0 0 70 -4,-1.6 -1,-0.3 -5,-0.2 6,-0.1 -0.357 132.8 -13.1 -88.2 56.7 5.4 63.8 74.8 332 335 A G T <4 S+ 0 0 53 -2,-1.4 -2,-0.2 -3,-0.5 -3,-0.1 0.096 92.7 109.2 152.1 -43.9 6.0 60.6 76.7 333 336 A A S >< S- 0 0 4 -4,-1.4 3,-1.4 -5,-0.4 -1,-0.4 -0.470 70.4-113.0 -74.5 135.4 9.5 59.6 77.7 334 337 A P T 3 S+ 0 0 47 0, 0.0 18,-0.2 0, 0.0 3,-0.1 -0.406 98.8 34.5 -65.1 139.6 10.1 59.9 81.5 335 338 A G T 3 S+ 0 0 34 1,-0.3 2,-0.4 9,-0.1 -5,-0.1 0.157 94.5 103.1 107.7 -16.2 12.5 62.6 82.5 336 339 A F < + 0 0 15 -3,-1.4 2,-0.3 -7,-0.3 -1,-0.3 -0.815 39.1 162.3-109.4 140.1 11.6 65.2 79.8 337 340 A S > - 0 0 57 -2,-0.4 3,-0.7 3,-0.2 -6,-0.1 -0.984 44.2-117.8-153.4 161.1 9.5 68.2 80.2 338 341 A K T 3 S+ 0 0 36 -2,-0.3 95,-0.1 1,-0.2 -1,-0.1 0.835 108.1 43.9 -70.1 -29.9 8.7 71.5 78.5 339 342 A D T 3 S+ 0 0 138 91,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.315 105.4 61.8-107.1 7.6 10.0 73.8 81.2 340 343 A S S < S- 0 0 58 -3,-0.7 -3,-0.2 1,-0.0 92,-0.2 -0.812 87.9-108.4-121.0 178.0 13.3 72.2 82.3 341 344 A E - 0 0 93 -2,-0.3 -3,-0.0 -5,-0.1 -5,-0.0 0.513 49.5-138.3 -76.0 -9.4 16.6 71.4 80.7 342 345 A S - 0 0 4 1,-0.2 2,-0.3 43,-0.0 -1,-0.0 0.861 26.1-174.3 52.3 47.5 15.5 67.8 80.9 343 346 A K - 0 0 136 42,-0.1 2,-0.4 41,-0.1 39,-0.2 -0.592 19.8-138.8 -71.3 134.2 18.8 66.3 82.0 344 347 A I - 0 0 2 37,-2.1 40,-0.2 -2,-0.3 41,-0.1 -0.826 3.6-133.9-111.9 131.2 18.1 62.6 82.0 345 348 A S > - 0 0 60 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.380 32.2-107.0 -71.9 151.8 19.3 59.9 84.6 346 349 A R H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.872 123.1 51.4 -39.9 -44.3 20.8 56.6 83.5 347 350 A E H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.969 109.3 47.4 -69.0 -46.6 17.6 54.9 84.5 348 351 A D H > S+ 0 0 49 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.822 110.9 54.2 -60.5 -30.0 15.4 57.3 82.5 349 352 A F H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.945 107.1 49.8 -66.1 -48.1 17.7 56.9 79.5 350 353 A M H X S+ 0 0 111 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.909 112.6 46.2 -64.3 -37.8 17.3 53.1 79.7 351 354 A S H X S+ 0 0 46 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.926 108.6 57.4 -76.2 -32.6 13.6 53.4 79.8 352 355 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.888 105.8 51.1 -48.6 -45.8 13.7 56.0 76.9 353 356 A V H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.905 106.0 53.4 -67.5 -36.6 15.5 53.4 74.8 354 357 A K H < S+ 0 0 99 -4,-1.6 -1,-0.2 1,-0.2 6,-0.2 0.908 112.1 46.0 -63.6 -37.3 12.9 50.8 75.5 355 358 A L H < S+ 0 0 16 -4,-2.1 -71,-1.9 1,-0.2 -1,-0.2 0.869 111.0 53.1 -74.6 -35.4 10.2 53.2 74.4 356 359 A S H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.810 118.6 32.5 -69.5 -30.8 12.1 54.3 71.3 357 360 A V S >< S+ 0 0 0 -4,-1.8 3,-2.3 -5,-0.2 -1,-0.3 -0.501 70.3 165.2-127.3 65.3 12.7 50.8 70.0 358 361 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -76,-0.1 0.740 72.3 58.3 -56.7 -27.9 9.5 49.0 71.1 359 362 A H T 3 S+ 0 0 91 -3,-0.1 2,-0.3 -78,-0.1 -5,-0.0 0.323 86.5 108.3 -86.9 7.1 10.1 46.0 68.8 360 363 A A < - 0 0 13 -3,-2.3 -3,-0.1 -6,-0.2 2,-0.1 -0.662 60.7-137.7 -94.4 139.7 13.5 45.1 70.3 361 364 A N > - 0 0 53 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.292 44.0 -91.2 -74.4 174.7 14.5 42.2 72.5 362 365 A D H > S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 127.6 54.8 -59.7 -39.8 16.9 42.8 75.4 363 366 A L H > S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 109.8 48.2 -58.8 -43.0 20.0 42.2 73.3 364 367 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 108.8 52.5 -62.3 -43.8 18.8 44.8 70.8 365 368 A L H X S+ 0 0 21 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.890 109.6 49.6 -61.9 -41.1 18.1 47.3 73.5 366 369 A D H X S+ 0 0 105 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.881 106.7 55.5 -60.5 -43.0 21.6 46.8 74.9 367 370 A A H X S+ 0 0 13 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.955 110.8 45.1 -56.9 -43.1 23.1 47.2 71.4 368 371 A V H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.960 113.8 49.0 -66.9 -50.8 21.3 50.6 71.1 369 372 A T H >X S+ 0 0 16 -4,-2.5 4,-1.1 1,-0.2 3,-1.0 0.934 111.2 48.6 -50.9 -53.6 22.3 51.7 74.6 370 373 A L H >< S+ 0 0 106 -4,-3.1 3,-0.8 1,-0.2 -1,-0.2 0.932 110.4 53.4 -48.9 -52.4 26.0 50.7 74.1 371 374 A Q H 3< S+ 0 0 66 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.685 116.3 35.9 -62.2 -23.2 26.0 52.6 70.8 372 375 A Y H << S+ 0 0 27 -4,-1.2 2,-0.4 -3,-1.0 -1,-0.2 0.393 95.7 95.3-117.1 -0.5 24.7 55.9 72.2 373 376 A T << - 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