==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE HYDROLASE 04-MAR-98 1EVE . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR G.KRYGER,I.SILMAN,J.L.SUSSMAN . 534 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20670.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.2 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 . 34 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 27.9 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 3 1 0 4 2 0 1 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 . 1 0 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 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 2 A D 0 0 157 0, 0.0 3,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 160.4 -14.7 84.3 30.4 2 3 A H + 0 0 87 1,-0.4 2,-0.1 4,-0.2 5,-0.0 0.363 360.0 21.9-131.9 -94.8 -14.8 87.4 32.5 3 4 A S > - 0 0 70 1,-0.1 3,-1.2 2,-0.0 -1,-0.4 -0.294 67.0-112.9 -86.2 169.4 -12.6 88.4 35.6 4 5 A E T 3 S+ 0 0 62 1,-0.3 -1,-0.1 -3,-0.1 23,-0.0 0.718 116.5 56.7 -70.5 -24.2 -9.2 87.2 36.8 5 6 A L T 3 S+ 0 0 37 11,-0.1 11,-2.5 10,-0.1 2,-0.5 0.212 92.2 86.3 -93.4 13.4 -10.9 85.6 39.9 6 7 A L E < +A 15 0A 34 -3,-1.2 2,-0.4 9,-0.2 -4,-0.2 -0.963 53.3 176.1-120.0 117.6 -13.1 83.5 37.7 7 8 A V E -A 14 0A 2 7,-2.1 7,-2.4 -2,-0.5 2,-0.8 -0.982 20.7-148.9-124.1 128.9 -11.8 80.1 36.4 8 9 A N E +A 13 0A 102 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.866 28.1 178.9 -98.3 107.9 -13.9 77.6 34.4 9 10 A T E > -A 12 0A 8 3,-2.4 3,-0.5 -2,-0.8 173,-0.1 -0.546 46.2-101.1-103.8 172.6 -12.7 74.1 35.2 10 11 A K T 3 S+ 0 0 122 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.652 126.6 47.1 -65.4 -16.8 -13.7 70.6 34.1 11 12 A S T 3 S- 0 0 15 1,-0.4 42,-2.4 41,-0.1 2,-0.3 0.624 127.6 -81.6 -97.1 -20.1 -15.6 70.4 37.4 12 13 A G E < -A 9 0A 10 -3,-0.5 -3,-2.4 40,-0.2 -1,-0.4 -0.869 62.0 -39.0 144.5-176.9 -17.3 73.8 37.1 13 14 A K E -Ab 8 56A 92 42,-0.9 44,-2.5 40,-0.3 2,-0.4 -0.597 49.4-163.5 -83.5 142.3 -16.7 77.5 37.7 14 15 A V E -Ab 7 57A 0 -7,-2.4 -7,-2.1 -2,-0.3 2,-0.5 -0.989 7.6-151.1-129.1 134.0 -14.7 78.7 40.7 15 16 A M E -Ab 6 58A 75 42,-2.8 44,-2.1 -2,-0.4 -9,-0.2 -0.915 19.0-174.6-108.4 121.8 -14.6 82.2 42.2 16 17 A G - 0 0 6 -11,-2.5 2,-0.3 -2,-0.5 13,-0.2 -0.076 15.8-121.4 -96.8-161.7 -11.5 83.3 44.1 17 18 A T E -C 28 0B 45 11,-1.7 11,-1.5 42,-0.2 2,-0.6 -0.995 21.2-110.6-147.4 146.3 -10.4 86.3 46.1 18 19 A R E -C 27 0B 118 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.698 37.4-162.8 -81.6 118.5 -7.6 88.9 45.9 19 20 A V E -C 26 0B 27 7,-2.9 7,-2.2 -2,-0.6 2,-0.2 -0.881 17.0-122.6-108.3 133.9 -5.2 88.4 48.7 20 21 A P E +C 25 0B 79 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.534 32.0 176.9 -73.6 134.0 -2.6 90.9 50.0 21 22 A V E > -C 24 0B 1 3,-2.6 3,-1.9 -2,-0.2 -2,-0.0 -0.883 62.7 -34.0-145.4 111.0 1.0 89.7 50.0 22 23 A L T 3 S- 0 0 53 -2,-0.3 2,-0.2 1,-0.3 3,-0.1 0.914 121.9 -45.3 43.0 62.8 4.0 91.9 50.9 23 24 A S T 3 S+ 0 0 139 1,-0.2 -1,-0.3 0, 0.0 2,-0.1 0.093 132.9 75.5 74.0 -24.5 2.6 95.2 49.6 24 25 A S E < S-C 21 0B 45 -3,-1.9 -3,-2.6 -2,-0.2 2,-0.3 -0.204 75.2-124.1-101.5-165.8 1.5 93.5 46.4 25 26 A H E +C 20 0B 72 -5,-0.3 77,-0.5 77,-0.1 2,-0.3 -0.990 21.9 175.4-146.1 153.5 -1.5 91.2 45.6 26 27 A I E -C 19 0B 1 -7,-2.2 -7,-2.9 -2,-0.3 2,-0.2 -0.891 33.6 -92.6-145.4 175.0 -2.2 87.7 44.2 27 28 A S E -CD 18 100B 1 73,-2.8 73,-1.8 -2,-0.3 2,-0.4 -0.652 29.5-165.8 -96.8 153.1 -5.2 85.4 43.6 28 29 A A E -CD 17 99B 0 -11,-1.5 -11,-1.7 -2,-0.2 2,-0.7 -0.977 12.0-170.1-143.6 124.0 -6.4 82.6 45.9 29 30 A F E - D 0 98B 1 69,-3.1 69,-2.4 -2,-0.4 2,-0.4 -0.880 24.4-176.1-113.5 94.1 -8.9 79.8 45.2 30 31 A L E + 0 0 17 29,-2.0 31,-0.4 -2,-0.7 67,-0.2 -0.767 53.3 14.5-100.3 138.4 -9.6 78.3 48.6 31 32 A G E + 0 0 6 -2,-0.4 -1,-0.2 65,-0.2 66,-0.2 0.929 68.3 169.5 73.1 48.0 -11.7 75.2 49.4 32 33 A I E - D 0 96B 0 64,-2.7 64,-2.0 -3,-0.3 2,-0.3 -0.825 32.5-128.3 -93.1 123.2 -12.1 73.6 46.0 33 34 A P E + D 0 95B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.544 31.3 172.2 -74.1 129.4 -13.7 70.1 46.2 34 35 A F + 0 0 3 60,-1.3 16,-0.7 -2,-0.3 2,-0.3 0.387 68.5 29.3-112.9 -2.3 -11.8 67.4 44.4 35 36 A A B S-M 49 0C 3 59,-0.8 -1,-0.1 14,-0.3 59,-0.1 -0.960 89.0 -91.1-151.8 163.3 -13.9 64.5 45.8 36 37 A E - 0 0 35 12,-2.9 12,-0.4 -2,-0.3 14,-0.1 -0.597 62.8 -85.6 -76.9 139.7 -17.3 63.7 47.0 37 38 A P - 0 0 26 0, 0.0 2,-1.4 0, 0.0 55,-0.2 -0.266 35.6-139.2 -49.2 117.2 -17.8 64.2 50.8 38 39 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.113 59.5 130.6 -74.5 40.4 -16.5 60.9 52.4 39 40 A V > - 0 0 64 -2,-1.4 3,-1.5 3,-0.1 2,-0.2 -0.481 55.6 -0.4 -94.1 163.6 -19.4 61.0 54.9 40 41 A G G > S+ 0 0 47 1,-0.3 3,-1.5 2,-0.2 0, 0.0 -0.406 133.5 2.3 67.3-126.9 -21.9 58.3 55.9 41 42 A N G 3 S+ 0 0 131 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.0 0.682 128.1 66.1 -68.1 -19.6 -21.6 54.9 54.1 42 43 A M G X S+ 0 0 53 -3,-1.5 3,-1.5 -5,-0.2 -1,-0.3 0.454 70.4 120.8 -83.0 -0.9 -18.6 56.3 52.3 43 44 A R T < S+ 0 0 13 -3,-1.5 3,-0.1 1,-0.3 -4,-0.1 -0.446 85.9 10.0 -65.1 133.0 -16.6 56.5 55.5 44 45 A F T 3 S+ 0 0 1 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.223 108.4 118.4 80.7 -13.2 -13.4 54.4 55.2 45 46 A R S < S- 0 0 85 -3,-1.5 -1,-0.3 118,-0.2 117,-0.1 -0.344 76.7 -85.5 -81.2 164.1 -14.2 53.9 51.5 46 47 A R - 0 0 70 115,-0.4 -1,-0.1 1,-0.1 2,-0.1 -0.293 57.4 -92.9 -64.0 150.6 -12.1 54.9 48.5 47 48 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.407 35.2-147.0 -70.0 142.9 -12.6 58.6 47.4 48 49 A E - 0 0 97 -12,-0.4 -12,-2.9 -3,-0.1 3,-0.1 -0.895 29.3 -99.7-108.4 139.7 -15.2 59.2 44.7 49 50 A P B -M 35 0C 88 0, 0.0 2,-0.3 0, 0.0 -14,-0.3 -0.309 44.2 -99.8 -59.2 140.0 -14.6 62.1 42.2 50 51 A K - 0 0 42 -16,-0.7 3,-0.1 1,-0.1 -14,-0.1 -0.470 38.3-118.9 -64.4 119.3 -16.5 65.3 42.9 51 52 A K - 0 0 143 -2,-0.3 -1,-0.1 1,-0.1 -40,-0.1 -0.400 40.3 -99.5 -59.2 129.4 -19.6 65.4 40.7 52 53 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.178 41.7-138.0 -52.5 142.3 -19.3 68.5 38.5 53 54 A W - 0 0 33 -42,-2.4 -40,-0.3 2,-0.1 2,-0.3 -0.764 1.5-131.1-108.2 154.0 -21.3 71.5 39.8 54 55 A S S S+ 0 0 127 -2,-0.3 2,-0.1 -42,-0.1 -42,-0.0 -0.736 72.4 13.4 -98.8 149.6 -23.5 74.0 38.0 55 56 A G S S- 0 0 52 -2,-0.3 -42,-0.9 2,-0.1 2,-0.5 -0.351 107.9 -37.5 83.3-166.8 -23.1 77.8 38.7 56 57 A V E -b 13 0A 81 -44,-0.1 2,-0.5 -2,-0.1 -42,-0.2 -0.832 49.4-140.6-103.2 130.2 -20.2 79.4 40.5 57 58 A W E -b 14 0A 68 -44,-2.5 -42,-2.8 -2,-0.5 2,-0.9 -0.738 21.5-126.1 -87.4 126.8 -18.5 77.8 43.5 58 59 A N E +b 15 0A 107 -2,-0.5 3,-0.3 -44,-0.2 -42,-0.1 -0.651 37.6 167.3 -76.4 106.2 -17.5 80.3 46.2 59 60 A A + 0 0 0 -44,-2.1 -29,-2.0 -2,-0.9 -42,-0.2 -0.385 41.4 105.0-116.8 52.0 -13.8 79.7 46.8 60 61 A S S S+ 0 0 38 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.653 73.1 54.8-102.1 -23.0 -13.0 82.7 48.9 61 62 A T S S- 0 0 88 -31,-0.4 -1,-0.0 -3,-0.3 -44,-0.0 -0.811 90.1 -95.5-116.2 155.9 -12.7 81.1 52.3 62 63 A Y - 0 0 35 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.292 42.7-120.3 -63.3 147.9 -10.7 78.2 53.7 63 64 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.128 35.8 -78.8 -81.2-178.7 -12.3 74.7 53.8 64 65 A N - 0 0 53 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.481 45.3-120.9 -78.4 152.4 -13.0 72.5 56.9 65 66 A N B -n 89 0D 4 23,-1.9 25,-2.4 -2,-0.1 58,-0.1 -0.668 32.9 -99.2 -93.6 150.8 -10.2 70.5 58.3 66 67 A a - 0 0 4 56,-0.3 2,-0.3 -2,-0.3 25,-0.2 -0.303 48.7 -85.9 -67.5 152.9 -10.4 66.7 58.5 67 68 A Q + 0 0 31 23,-0.4 82,-0.3 22,-0.1 2,-0.3 -0.450 69.4 146.9 -61.3 124.3 -11.4 65.0 61.8 68 69 A Q - 0 0 2 -2,-0.3 2,-0.2 -3,-0.1 53,-0.2 -0.960 52.7 -78.5-154.9 168.4 -8.3 64.6 63.9 69 70 A Y - 0 0 76 51,-0.9 2,-0.5 -2,-0.3 51,-0.0 -0.489 46.1-138.2 -71.5 137.5 -6.8 64.5 67.4 70 71 A V - 0 0 46 -2,-0.2 2,-0.5 14,-0.1 11,-0.1 -0.903 11.2-124.9-107.3 127.0 -6.3 68.0 68.8 71 72 A D + 0 0 30 -2,-0.5 13,-0.1 9,-0.2 12,-0.0 -0.548 39.9 159.0 -69.2 118.2 -3.1 68.9 70.8 72 73 A E + 0 0 146 -2,-0.5 -1,-0.1 3,-0.1 9,-0.0 0.052 39.3 108.3-128.1 23.3 -4.1 70.3 74.2 73 74 A Q S S+ 0 0 108 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.847 91.4 23.8 -70.7 -36.0 -0.9 69.6 76.0 74 75 A F S > S- 0 0 44 3,-0.1 3,-1.8 -3,-0.0 6,-0.3 -0.668 84.4-155.7-133.2 77.3 0.1 73.3 76.2 75 76 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.254 80.2 12.9 -55.5 132.9 -3.0 75.5 75.9 76 77 A G T 3 S+ 0 0 65 1,-0.3 2,-0.6 2,-0.1 3,-0.0 0.150 94.3 127.3 85.9 -20.1 -2.3 79.0 74.6 77 78 A F X> - 0 0 35 -3,-1.8 4,-1.9 1,-0.2 3,-0.9 -0.610 49.3-157.3 -75.4 117.0 1.2 78.0 73.6 78 79 A S H 3> S+ 0 0 67 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.828 85.2 70.1 -63.1 -34.7 1.7 78.9 69.9 79 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.782 113.9 25.8 -55.1 -31.2 4.4 76.3 69.4 80 81 A S H X4 S+ 0 0 2 -3,-0.9 3,-0.7 -6,-0.3 4,-0.2 0.703 120.3 54.6-104.8 -28.4 2.0 73.4 69.7 81 82 A E H >< S+ 0 0 81 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.649 89.9 75.0 -82.1 -15.2 -1.3 75.1 68.6 82 83 A M T 3< S+ 0 0 52 -4,-2.0 46,-0.3 1,-0.2 -1,-0.2 0.631 100.0 47.3 -69.5 -13.4 0.2 76.3 65.3 83 84 A W T < S+ 0 0 51 -3,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.543 94.7 97.4-101.4 -13.6 -0.1 72.7 64.1 84 85 A N S < S- 0 0 21 -3,-0.6 -14,-0.1 -4,-0.2 2,-0.1 -0.372 93.7 -80.6 -75.7 156.2 -3.7 72.3 65.4 85 86 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.350 38.7-169.8 -57.6 125.6 -6.7 72.6 63.1 86 87 A N + 0 0 61 2,-0.1 2,-0.3 -4,-0.1 -2,-0.0 0.306 68.9 55.8-101.8 7.4 -7.5 76.4 62.7 87 88 A R S S- 0 0 102 1,-0.0 -23,-0.1 0, 0.0 2,-0.1 -0.828 104.6 -74.2-130.2 166.6 -10.8 75.7 60.9 88 89 A E - 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0 0 2 -2,-0.8 -126,-0.2 -138,-0.2 -57,-0.2 -0.741 56.3 -58.6-127.8 170.4 -1.0 54.6 58.8 293 294 A P - 0 0 0 0, 0.0 -58,-2.0 0, 0.0 2,-0.3 -0.183 53.0-143.1 -52.7 142.7 -0.6 53.3 55.2 294 295 A V B -o 235 0E 3 -60,-0.2 2,-1.8 -3,-0.1 -58,-0.2 -0.834 18.6-119.2-112.1 149.9 -0.6 49.5 54.8 295 296 A I + 0 0 43 -60,-1.7 -58,-0.4 -2,-0.3 8,-0.1 -0.641 49.9 160.1 -85.4 80.4 1.4 47.3 52.5 296 297 A D - 0 0 14 -2,-1.8 -1,-0.2 -60,-0.1 -60,-0.0 0.722 53.4-117.2 -77.7 -26.5 -1.7 46.0 50.7 297 298 A G S S+ 0 0 42 3,-1.1 -2,-0.1 -3,-0.2 -1,-0.0 0.386 103.4 65.2 100.1 -3.4 -0.3 44.7 47.5 298 299 A E S S+ 0 0 97 2,-0.1 4,-0.1 4,-0.0 -3,-0.0 0.727 108.2 27.2-111.5 -69.8 -2.3 47.2 45.5 299 300 A F S S+ 0 0 9 1,-0.3 -86,-0.2 -5,-0.1 -85,-0.1 0.878 139.2 33.9 -62.7 -37.6 -1.1 50.8 46.3 300 301 A F S S- 0 0 0 -6,-0.2 -3,-1.1 1,-0.1 -1,-0.3 -0.968 79.8-157.7-120.1 107.0 2.2 49.1 47.1 301 302 A P S S- 0 0 47 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.880 73.3 -14.4 -50.1 -47.2 2.8 46.1 44.7 302 303 A T S S- 0 0 68 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.734 105.2 -38.3-142.5-170.7 5.3 44.5 47.1 303 304 A S > - 0 0 60 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.247 54.4-121.2 -57.5 144.9 7.4 45.4 50.2 304 305 A L H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.850 113.1 51.3 -56.3 -36.4 8.9 48.9 50.1 305 306 A E H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 109.0 48.1 -68.9 -45.7 12.4 47.5 50.4 306 307 A S H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 6,-0.2 0.859 113.2 49.8 -64.0 -34.6 12.0 45.0 47.5 307 308 A M H X>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-0.9 0.918 111.2 48.4 -68.2 -44.3 10.5 47.9 45.4 308 309 A L H <5S+ 0 0 2 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.858 112.8 49.1 -63.9 -36.2 13.5 50.1 46.4 309 310 A N H <5S+ 0 0 77 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.890 113.2 44.6 -70.8 -41.7 16.0 47.3 45.5 310 311 A S H <5S- 0 0 77 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.533 111.3-115.0 -82.4 -6.8 14.5 46.5 42.1 311 312 A G T <5 + 0 0 2 -4,-0.9 2,-1.9 1,-0.2 -3,-0.2 0.770 58.1 159.3 77.2 24.8 14.1 50.1 41.0 312 313 A N < + 0 0 55 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.569 42.3 80.6 -83.3 75.4 10.3 49.7 41.0 313 314 A F S S- 0 0 1 -2,-1.9 -103,-0.2 -3,-0.1 2,-0.2 -0.972 90.7 -63.8-167.4 167.6 9.6 53.5 41.3 314 315 A K - 0 0 39 -105,-2.8 2,-0.7 -2,-0.3 -2,-0.0 -0.441 44.4-140.5 -66.4 125.7 9.3 56.7 39.3 315 316 A K + 0 0 116 -2,-0.2 2,-0.2 99,-0.1 99,-0.1 -0.829 55.2 103.2 -91.2 113.5 12.6 57.8 37.8 316 317 A T S S- 0 0 6 -2,-0.7 99,-2.3 100,-0.1 100,-0.4 -0.822 72.8 -58.3-163.7-163.0 13.0 61.5 38.2 317 318 A Q - 0 0 23 -2,-0.2 -96,-1.4 -98,-0.2 2,-0.3 -0.814 45.8-170.1-100.5 142.2 14.7 64.2 40.3 318 319 A I E -ij 221 417B 0 98,-2.8 100,-1.7 -2,-0.4 2,-0.4 -0.972 13.3-164.2-131.8 146.7 14.2 64.5 44.0 319 320 A L E +ij 222 418B 0 -98,-1.7 -96,-1.9 -2,-0.3 2,-0.3 -0.993 30.3 147.8-129.2 119.3 15.2 67.1 46.6 320 321 A L E +ij 223 419B 0 98,-2.3 100,-1.6 -2,-0.4 2,-0.3 -0.941 9.7 149.3-147.1 168.9 15.1 66.0 50.2 321 322 A G E -ij 224 420B 0 -98,-1.5 -96,-2.5 -2,-0.3 -95,-0.4 -0.980 27.9-114.1 179.9-176.7 16.8 66.5 53.6 322 323 A V E - j 0 421B 0 98,-1.5 100,-2.1 -2,-0.3 2,-0.2 -0.878 22.2-112.4-138.4 164.6 16.4 66.5 57.3 323 324 A N E > - j 0 422B 0 -2,-0.3 3,-0.5 98,-0.2 100,-0.2 -0.643 32.3-115.5 -93.3 159.6 16.6 68.8 60.3 324 325 A K T 3 S+ 0 0 92 98,-1.8 2,-0.5 1,-0.2 114,-0.1 0.896 106.1 30.9 -62.6 -46.1 19.4 68.6 63.0 325 326 A D B 3 +p 438 0F 18 112,-1.7 114,-0.5 1,-0.1 4,-0.3 -0.655 66.7 152.9-119.9 77.3 17.2 67.6 66.0 326 327 A E < + 0 0 1 -3,-0.5 3,-0.3 -2,-0.5 4,-0.3 0.770 67.9 56.4 -73.6 -31.2 14.2 65.6 64.7 327 328 A G S >> S+ 0 0 0 64,-0.6 4,-1.4 1,-0.2 3,-0.8 0.695 80.8 84.5 -79.6 -18.7 13.6 63.6 67.8 328 329 A S H 3> S+ 0 0 0 -3,-0.3 4,-2.0 107,-0.3 3,-0.3 0.856 84.6 57.8 -51.0 -45.7 13.1 66.3 70.5 329 330 A F H 3> S+ 0 0 27 -3,-0.3 4,-0.8 -4,-0.3 -1,-0.2 0.859 110.2 44.3 -54.2 -40.2 9.4 66.9 69.7 330 331 A F H <> S+ 0 0 34 -3,-0.8 4,-1.0 -4,-0.3 5,-0.3 0.745 109.5 53.5 -80.3 -27.1 8.6 63.2 70.5 331 332 A L H X S+ 0 0 0 -4,-1.4 4,-1.6 -3,-0.3 7,-0.3 0.833 106.2 55.4 -75.7 -32.4 10.7 62.9 73.6 332 333 A L H < S+ 0 0 13 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.802 111.9 43.8 -68.2 -31.1 8.9 66.0 75.0 333 334 A Y H < S+ 0 0 76 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.651 133.9 4.9 -91.9 -16.1 5.5 64.3 74.5 334 335 A G H < S+ 0 0 42 -4,-1.0 -3,-0.2 -3,-0.1 -2,-0.2 0.552 97.0 95.2-145.8 -9.9 6.1 60.8 75.8 335 336 A A S >< S- 0 0 7 -4,-1.6 3,-1.3 -5,-0.3 2,-0.2 -0.758 73.2-114.0 -94.1 134.0 9.5 60.2 77.3 336 337 A P T 3 S+ 0 0 54 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.420 98.2 32.6 -65.7 132.1 10.0 60.4 81.1 337 338 A G T 3 S+ 0 0 39 1,-0.3 2,-0.4 -2,-0.2 -5,-0.1 0.273 92.8 110.3 106.6 -9.7 12.2 63.3 82.3 338 339 A F < + 0 0 19 -3,-1.3 -1,-0.3 -7,-0.3 2,-0.3 -0.828 35.1 160.6-104.1 138.0 11.3 65.7 79.5 339 340 A S > - 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