==== 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 HYDROLASE 04-JUL-01 1JJB . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; . AUTHOR G.KOELLNER,T.STEINER,C.B.MILLARD,I.SILMAN,J.L.SUSSMAN . 532 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.8 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 . 30 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 27.4 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 5 1 0 1 3 1 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 2 1 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 . 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 . 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 0 118 0, 0.0 3,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.3 -12.7 87.7 36.0 2 5 A E T 3 + 0 0 61 1,-0.2 23,-0.1 3,-0.0 12,-0.0 0.684 360.0 55.0 -70.6 -19.2 -9.3 86.6 37.3 3 6 A L T 3 S+ 0 0 38 11,-0.1 11,-3.6 10,-0.1 2,-0.5 0.374 93.4 82.2 -96.3 4.0 -11.1 85.0 40.3 4 7 A L E < +A 13 0A 61 -3,-1.2 2,-0.4 9,-0.2 9,-0.2 -0.943 55.7 175.8-113.5 123.4 -13.5 82.9 38.2 5 8 A V E -A 12 0A 2 7,-2.7 7,-2.6 -2,-0.5 2,-0.8 -0.990 22.0-146.8-130.7 131.1 -12.2 79.6 36.8 6 9 A N E +A 11 0A 100 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.838 26.3 179.5 -98.5 110.4 -14.2 77.0 34.9 7 10 A T E > -A 10 0A 7 3,-2.4 3,-1.2 -2,-0.8 173,-0.1 -0.563 46.2-100.7-103.5 171.2 -12.9 73.5 35.7 8 11 A K T 3 S+ 0 0 120 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.627 126.2 50.3 -64.6 -13.8 -14.1 70.1 34.4 9 12 A S T 3 S- 0 0 16 1,-0.4 42,-2.5 41,-0.1 -1,-0.3 0.569 127.5 -78.8 -99.2 -12.8 -16.0 69.8 37.7 10 13 A G E < -A 7 0A 10 -3,-1.2 -3,-2.4 40,-0.2 -1,-0.4 -0.798 63.0 -42.1 139.3 178.8 -17.7 73.2 37.4 11 14 A K E -Ab 6 54A 101 42,-0.9 44,-2.8 40,-0.3 2,-0.4 -0.518 48.8-162.8 -81.6 146.4 -17.0 76.9 37.9 12 15 A V E -Ab 5 55A 0 -7,-2.6 -7,-2.7 42,-0.2 2,-0.5 -0.982 8.9-152.4-131.9 141.2 -15.2 78.2 40.9 13 16 A M E -Ab 4 56A 70 42,-3.0 44,-2.8 -2,-0.4 -9,-0.2 -0.955 18.9-173.5-117.0 117.3 -14.9 81.7 42.4 14 17 A G - 0 0 7 -11,-3.6 2,-0.3 -2,-0.5 13,-0.2 -0.038 16.5-119.7 -92.1-161.8 -11.8 82.6 44.3 15 18 A T E -C 26 0B 40 11,-2.3 11,-2.2 42,-0.3 2,-0.4 -0.995 18.1-116.3-144.6 145.8 -10.8 85.6 46.4 16 19 A R E -C 25 0B 140 -2,-0.3 9,-0.2 9,-0.2 -13,-0.0 -0.668 35.2-169.2 -83.3 134.4 -8.0 88.2 46.2 17 20 A V E -C 24 0B 25 7,-2.7 7,-1.9 -2,-0.4 2,-0.1 -0.975 19.5-120.6-129.1 141.4 -5.6 88.1 49.1 18 21 A P E +C 23 0B 77 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.437 32.2 172.8 -75.9 151.2 -2.9 90.5 50.2 19 22 A V E > -C 22 0B 3 3,-2.2 3,-1.2 -2,-0.1 -2,-0.0 -0.799 64.2 -20.5-164.3 116.5 0.7 89.3 50.5 20 23 A L T 3 S- 0 0 48 1,-0.3 3,-0.1 -2,-0.2 430,-0.0 0.895 127.9 -47.1 48.4 50.5 3.9 91.2 51.1 21 24 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.646 131.8 73.9 68.7 17.9 2.3 94.6 50.1 22 25 A S E < S-C 19 0B 41 -3,-1.2 -3,-2.2 -5,-0.0 2,-0.3 -0.594 73.7-118.4-136.6-161.8 0.8 93.0 46.9 23 26 A H E +C 18 0B 72 -5,-0.3 77,-0.3 -2,-0.2 2,-0.3 -0.985 21.4 174.7-148.5 157.0 -2.0 90.6 46.0 24 27 A I E -C 17 0B 1 -7,-1.9 -7,-2.7 -2,-0.3 2,-0.3 -0.910 37.1 -90.2-150.2 173.9 -2.6 87.2 44.4 25 28 A S E -CD 16 98B 2 73,-2.6 73,-2.6 -2,-0.3 2,-0.4 -0.705 32.6-165.4 -95.7 145.1 -5.6 84.9 43.8 26 29 A A E -CD 15 97B 0 -11,-2.2 -11,-2.3 -2,-0.3 2,-0.6 -0.992 11.3-170.8-133.1 128.2 -6.8 82.2 46.3 27 30 A F E - D 0 96B 1 69,-3.0 69,-2.5 -2,-0.4 3,-0.4 -0.877 22.8-176.4-118.0 95.1 -9.2 79.3 45.6 28 31 A L E + 0 0 17 29,-2.3 31,-0.5 -2,-0.6 67,-0.2 -0.725 53.9 12.7 -99.3 143.2 -9.9 77.8 48.9 29 32 A G E + 0 0 5 -2,-0.3 -1,-0.2 1,-0.2 66,-0.2 0.848 68.5 169.4 68.3 39.1 -12.0 74.8 49.7 30 33 A I E - D 0 94B 0 64,-2.6 64,-2.5 -3,-0.4 2,-0.2 -0.707 32.1-129.3 -82.1 127.9 -12.4 73.3 46.3 31 34 A P E + D 0 93B 1 0, 0.0 62,-0.2 0, 0.0 3,-0.1 -0.558 32.7 170.5 -79.0 140.6 -13.9 69.8 46.6 32 35 A F + 0 0 3 60,-1.3 16,-1.0 -2,-0.2 2,-0.3 0.405 66.1 35.9-125.0 -3.9 -12.2 66.9 44.8 33 36 A A B S-M 47 0C 3 59,-0.8 -1,-0.2 14,-0.3 59,-0.1 -0.957 87.5 -96.8-145.3 160.6 -14.1 64.0 46.3 34 37 A E - 0 0 54 12,-2.9 12,-0.4 -2,-0.3 14,-0.1 -0.530 61.0 -86.7 -75.0 145.8 -17.6 63.1 47.4 35 38 A P - 0 0 34 0, 0.0 2,-1.7 0, 0.0 55,-0.2 -0.352 36.4-137.1 -55.5 125.8 -17.9 63.5 51.2 36 39 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.351 57.8 132.7 -84.1 59.1 -16.8 60.2 52.7 37 40 A V > - 0 0 63 -2,-1.7 3,-2.6 3,-0.1 2,-0.1 -0.532 52.2 -0.1-107.1 171.9 -19.6 60.1 55.2 38 41 A G G > S+ 0 0 48 1,-0.3 3,-1.6 2,-0.2 0, 0.0 -0.294 137.5 1.6 55.9-125.3 -22.2 57.6 56.4 39 42 A N G 3 S+ 0 0 63 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.0 0.533 128.6 69.9 -70.7 -3.9 -21.8 54.3 54.6 40 43 A M G X + 0 0 64 -3,-2.6 3,-1.9 -5,-0.1 -1,-0.3 0.618 69.0 116.4 -88.0 -13.9 -18.8 55.9 52.9 41 44 A R T < S+ 0 0 12 -3,-1.6 -4,-0.1 1,-0.3 3,-0.1 -0.315 85.9 10.7 -58.1 136.2 -16.6 56.0 56.0 42 45 A F T 3 S+ 0 0 2 108,-0.6 121,-0.5 1,-0.3 -1,-0.3 0.205 105.7 121.2 78.5 -13.9 -13.5 53.8 55.6 43 46 A R S < S- 0 0 38 -3,-1.9 -1,-0.3 118,-0.1 117,-0.1 -0.394 75.3 -89.4 -81.7 158.8 -14.3 53.4 51.9 44 47 A R - 0 0 87 115,-0.4 -1,-0.1 1,-0.1 121,-0.1 -0.273 58.8 -92.0 -58.8 147.7 -12.1 54.4 48.9 45 48 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.222 35.4-144.4 -64.5 156.5 -12.7 58.0 47.8 46 49 A E - 0 0 106 -12,-0.4 -12,-2.9 -3,-0.1 3,-0.1 -0.967 26.6-102.5-122.1 136.4 -15.2 58.7 45.1 47 50 A P B -M 33 0C 93 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.297 44.5 -99.3 -60.4 139.3 -14.7 61.5 42.6 48 51 A K - 0 0 44 -16,-1.0 3,-0.1 1,-0.1 -14,-0.1 -0.390 37.0-118.8 -61.6 127.4 -16.7 64.7 43.2 49 52 A K - 0 0 55 -2,-0.1 -1,-0.1 1,-0.1 -40,-0.1 -0.514 39.4-101.3 -68.6 129.9 -19.9 64.8 41.1 50 53 A P - 0 0 99 0, 0.0 2,-0.3 0, 0.0 -40,-0.2 -0.167 40.4-145.3 -52.2 145.0 -19.7 67.9 38.8 51 54 A W - 0 0 37 -42,-2.5 -40,-0.3 2,-0.1 2,-0.2 -0.846 3.8-135.4-118.1 152.2 -21.8 70.9 40.0 52 55 A S S S+ 0 0 118 -2,-0.3 2,-0.1 -42,-0.1 -43,-0.0 -0.654 72.4 29.0 -97.5 160.7 -23.7 73.5 38.2 53 56 A G S S- 0 0 51 -2,-0.2 -42,-0.9 2,-0.1 2,-0.5 -0.448 105.8 -48.7 86.9-165.5 -23.5 77.2 39.2 54 57 A V E -b 11 0A 77 -2,-0.1 2,-0.4 -44,-0.1 -42,-0.2 -0.941 45.5-138.8-116.2 124.2 -20.4 78.7 40.8 55 58 A W E -b 12 0A 70 -44,-2.8 -42,-3.0 -2,-0.5 2,-0.9 -0.659 20.7-130.3 -80.2 127.0 -18.6 77.2 43.8 56 59 A N E +b 13 0A 101 -2,-0.4 3,-0.3 -44,-0.2 2,-0.2 -0.695 31.7 172.7 -81.5 107.2 -17.6 79.8 46.3 57 60 A A + 0 0 0 -44,-2.8 -29,-2.3 -2,-0.9 -42,-0.3 -0.414 43.9 107.5-111.0 53.5 -13.9 79.1 47.1 58 61 A S S S+ 0 0 42 -31,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.524 71.4 55.4-105.6 -10.5 -13.2 82.2 49.2 59 62 A T S S- 0 0 84 -31,-0.5 -1,-0.1 -3,-0.3 -44,-0.0 -0.953 87.2-102.2-129.6 147.3 -13.0 80.4 52.6 60 63 A Y - 0 0 34 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.214 41.7-121.9 -58.7 150.7 -10.9 77.6 54.0 61 64 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.270 35.0 -78.0 -87.9 177.8 -12.7 74.2 54.3 62 65 A N - 0 0 65 28,-0.3 2,-0.3 23,-0.1 25,-0.2 -0.322 45.9-118.5 -71.4 159.8 -13.3 72.0 57.4 63 66 A N B -n 87 0D 4 23,-2.1 25,-2.2 1,-0.1 58,-0.1 -0.713 35.2 -97.9 -97.1 153.0 -10.4 69.9 58.7 64 67 A a - 0 0 4 56,-0.4 25,-0.2 -2,-0.3 56,-0.1 -0.311 50.1 -85.0 -68.5 154.6 -10.7 66.1 58.9 65 68 A Q + 0 0 31 23,-0.4 82,-0.4 22,-0.1 2,-0.3 -0.404 69.7 148.3 -61.3 130.0 -11.7 64.5 62.2 66 69 A Q - 0 0 4 -2,-0.1 53,-0.2 -3,-0.1 2,-0.1 -0.990 52.6 -79.5-160.8 165.8 -8.6 64.0 64.3 67 70 A Y - 0 0 79 51,-1.0 2,-0.5 -2,-0.3 206,-0.0 -0.474 45.9-144.1 -67.2 138.1 -7.0 63.7 67.7 68 71 A V - 0 0 42 -2,-0.1 2,-0.5 14,-0.1 14,-0.1 -0.943 11.2-125.9-113.7 124.0 -6.4 67.2 69.1 69 72 A D + 0 0 24 -2,-0.5 3,-0.1 9,-0.2 13,-0.1 -0.532 36.1 164.0 -70.5 118.7 -3.3 67.9 71.1 70 73 A E + 0 0 148 -2,-0.5 -1,-0.1 1,-0.1 9,-0.0 0.162 38.9 113.0-118.4 13.9 -4.2 69.5 74.5 71 74 A Q S S+ 0 0 116 1,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.837 90.4 25.8 -56.2 -35.3 -0.9 68.9 76.3 72 75 A F S > S- 0 0 40 3,-0.1 3,-2.4 -3,-0.1 -1,-0.3 -0.565 84.2-153.5-132.9 71.2 -0.2 72.7 76.5 73 76 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.168 82.2 6.2 -47.3 120.4 -3.4 74.6 76.3 74 77 A G T 3 S+ 0 0 57 1,-0.3 2,-0.4 2,-0.0 -4,-0.0 0.134 92.3 131.7 92.2 -21.6 -2.8 78.1 74.8 75 78 A F X> - 0 0 39 -3,-2.4 4,-2.4 1,-0.2 3,-0.7 -0.518 49.5-152.2 -69.0 121.8 0.9 77.4 74.0 76 79 A S H 3> S+ 0 0 67 -2,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.803 89.1 71.2 -65.4 -28.4 1.4 78.5 70.4 77 80 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 352,-0.1 0.866 114.5 21.8 -56.3 -39.2 4.2 75.9 70.0 78 81 A S H X4 S+ 0 0 1 -3,-0.7 3,-1.4 -6,-0.3 4,-0.4 0.783 119.0 58.8 -99.8 -34.2 1.7 73.1 70.0 79 82 A E H >< S+ 0 0 84 -4,-2.4 3,-0.7 1,-0.3 -3,-0.2 0.707 87.7 75.5 -71.6 -17.4 -1.6 74.7 69.0 80 83 A M T 3< S+ 0 0 51 -4,-1.6 46,-0.3 1,-0.2 -1,-0.3 0.602 100.1 47.4 -67.7 -8.7 -0.1 75.9 65.7 81 84 A W T < S+ 0 0 53 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.595 91.3 95.6-105.7 -16.7 -0.5 72.3 64.6 82 85 A N S < S- 0 0 23 -3,-0.7 -14,-0.1 -4,-0.4 39,-0.1 -0.333 93.4 -83.0 -72.4 156.5 -4.1 71.7 65.8 83 86 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.357 35.8-163.2 -60.4 139.0 -6.9 72.1 63.3 84 87 A N S S+ 0 0 69 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.169 70.8 57.4-109.2 15.3 -7.9 75.8 63.1 85 88 A R S S- 0 0 111 1,-0.0 -23,-0.1 0, 0.0 -22,-0.0 -0.889 103.9 -77.5-135.9 163.4 -11.3 75.1 61.4 86 89 A E - 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0 0 14 -5,-2.7 2,-0.5 -8,-0.2 -1,-0.2 -0.478 45.9-102.6 -86.4 157.5 -18.4 46.0 68.8 252 255 A N - 0 0 66 6,-0.3 3,-0.3 -2,-0.1 10,-0.2 -0.677 35.0-171.7 -76.3 122.2 -19.6 42.7 67.5 253 256 A L + 0 0 61 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.181 52.5 107.7-105.2 18.3 -16.4 41.0 66.3 254 257 A N S S- 0 0 140 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.816 90.5 -2.5 -64.1 -33.3 -17.9 38.0 64.6 255 258 A S > - 0 0 45 -3,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.989 69.7-106.6-156.0 161.2 -17.1 39.3 61.1 256 259 A D H > S+ 0 0 37 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.894 122.0 56.1 -56.3 -38.7 -15.6 42.2 59.2 257 260 A E H > S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 110.5 42.9 -58.9 -47.1 -19.2 43.1 58.2 258 261 A E H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -6,-0.3 0.940 117.5 46.1 -64.2 -49.7 -20.2 43.2 61.9 259 262 A L H X S+ 0 0 3 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.951 115.3 45.2 -58.5 -54.0 -17.1 45.2 63.0 260 263 A I H X S+ 0 0 5 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.897 111.3 52.8 -59.2 -44.1 -17.2 47.7 60.1 261 264 A H H X S+ 0 0 119 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.878 111.1 47.7 -60.9 -38.0 -21.0 48.3 60.5 262 265 A b H >X S+ 0 0 20 -4,-1.9 3,-1.1 1,-0.2 4,-0.8 0.929 109.2 51.7 -68.2 -46.8 -20.5 49.0 64.2 263 266 A L H 3< S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.796 106.2 58.0 -61.9 -26.4 -17.6 51.4 63.6 264 267 A R H 3< S+ 0 0 45 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.739 101.7 52.7 -76.8 -22.8 -19.8 53.2 61.1 265 268 A E H << S+ 0 0 111 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.630 91.4 97.4 -86.1 -13.5 -22.5 54.0 63.7 266 269 A K S < S- 0 0 44 -4,-0.8 -17,-0.0 -3,-0.3 -3,-0.0 -0.426 81.3-114.2 -74.9 148.4 -20.0 55.5 66.1 267 270 A K >> - 0 0 97 -2,-0.1 3,-1.5 1,-0.1 4,-1.1 -0.499 32.0-108.1 -77.2 152.9 -19.5 59.2 66.2 268 271 A P H >> S+ 0 0 22 0, 0.0 4,-1.9 0, 0.0 3,-0.9 0.913 118.2 53.3 -46.9 -52.0 -16.1 60.5 65.0 269 272 A Q H 3> S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.701 100.5 62.0 -60.5 -21.4 -15.0 61.4 68.6 270 273 A E H <> S+ 0 0 71 -3,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.874 106.9 43.9 -72.4 -37.0 -15.8 57.9 69.9 271 274 A L H XX S+ 0 0 3 -4,-1.1 3,-0.9 -3,-0.9 4,-0.6 0.913 114.4 50.6 -71.2 -43.3 -13.2 56.4 67.6 272 275 A I H >< S+ 0 0 4 -4,-1.9 3,-0.6 1,-0.2 4,-0.4 0.838 100.3 63.5 -64.5 -34.7 -10.7 59.1 68.4 273 276 A D H 3< S+ 0 0 111 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.734 116.7 28.2 -63.5 -22.7 -11.1 58.7 72.2 274 277 A V H X< S+ 0 0 21 -3,-0.9 3,-1.8 -4,-0.5 4,-0.4 0.312 87.7 109.8-120.1 5.2 -9.8 55.1 72.0 275 278 A E G X< S+ 0 0 4 -4,-0.6 3,-0.9 -3,-0.6 -2,-0.1 0.843 78.8 50.0 -49.8 -43.6 -7.5 55.4 69.0 276 279 A W G > S+ 0 0 80 -4,-0.4 3,-0.8 1,-0.2 -1,-0.3 0.556 92.6 77.4 -78.3 -6.1 -4.3 55.1 71.0 277 280 A N G < S+ 0 0 91 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.657 83.3 65.1 -78.3 -13.0 -5.4 52.0 72.9 278 281 A V G < + 0 0 1 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.1 0.527 68.8 119.3 -88.4 -5.6 -4.7 49.7 69.9 279 282 A L < - 0 0 36 -3,-0.8 9,-0.1 1,-0.1 -3,-0.0 -0.348 60.3-141.9 -60.7 136.6 -0.9 50.1 69.8 280 283 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.786 76.2 35.1 -72.4 -27.0 0.9 46.8 70.4 281 284 A F S S- 0 0 109 74,-0.0 2,-0.9 0, 0.0 78,-0.1 -0.817 85.8-102.7-127.4 167.4 3.7 48.2 72.5 282 285 A D S S+ 0 0 131 -2,-0.3 2,-0.3 76,-0.1 0, 0.0 -0.793 74.7 134.9 -83.1 110.2 4.5 50.9 75.0 283 286 A S - 0 0 25 -2,-0.9 2,-0.3 3,-0.1 73,-0.2 -0.895 53.2-131.4-152.5 179.3 6.2 53.3 72.6 284 287 A I S S+ 0 0 11 71,-1.4 3,-0.1 -2,-0.3 45,-0.1 -0.942 88.1 29.8-134.9 154.2 6.8 56.7 71.1 285 288 A F S S+ 0 0 6 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.877 92.9 115.9 61.3 38.8 6.8 57.7 67.4 286 289 A R - 0 0 33 -3,-0.1 2,-0.4 -5,-0.0 -1,-0.2 -0.997 46.9-163.7-137.5 132.3 4.3 55.0 66.7 287 290 A F - 0 0 13 -2,-0.4 3,-0.2 -57,-0.3 -11,-0.1 -0.928 19.5-131.4-123.7 146.4 0.8 55.7 65.5 288 291 A S S S+ 0 0 2 -2,-0.4 2,-0.7 1,-0.2 -1,-0.1 0.929 89.5 37.7 -60.0 -58.6 -2.3 53.5 65.3 289 292 A F S S+ 0 0 5 -173,-0.1 -141,-0.4 -136,-0.1 -1,-0.2 -0.851 74.8 139.6-110.5 106.2 -3.7 53.8 61.8 290 293 A V - 0 0 3 -2,-0.7 -126,-0.2 -138,-0.3 -58,-0.1 -0.775 56.7 -57.8-132.9 172.8 -1.2 54.0 59.0 291 294 A P - 0 0 0 0, 0.0 -58,-1.9 0, 0.0 2,-0.4 -0.169 50.9-142.9 -53.5 146.2 -0.7 52.7 55.5 292 295 A V E -o 233 0E 2 -60,-0.2 2,-1.6 -3,-0.1 6,-0.2 -0.911 19.1-119.0-115.9 143.2 -0.7 48.9 55.1 293 296 A I E +o 234 0E 42 -60,-2.0 -58,-0.5 -2,-0.4 8,-0.1 -0.660 49.8 162.9 -78.9 93.3 1.4 46.8 52.7 294 297 A D - 0 0 15 -2,-1.6 -1,-0.2 -60,-0.1 7,-0.1 0.601 51.6-117.1 -93.3 -16.6 -1.6 45.5 50.9 295 298 A G S S+ 0 0 45 3,-1.5 -2,-0.1 5,-0.2 6,-0.0 0.630 103.7 63.0 85.9 12.1 -0.2 44.1 47.6 296 299 A E S S+ 0 0 98 2,-0.4 -85,-0.2 4,-0.1 4,-0.1 0.502 108.5 26.8-128.1 -74.5 -2.3 46.7 45.7 297 300 A F S S+ 0 0 10 1,-0.3 -86,-0.3 -5,-0.1 -85,-0.2 0.925 141.9 31.1 -59.4 -41.4 -1.3 50.3 46.5 298 301 A F S S- 0 0 0 -6,-0.2 -3,-1.5 1,-0.1 -2,-0.4 -0.970 81.2-159.1-116.3 110.1 2.1 48.7 47.3 299 302 A P S S- 0 0 45 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.870 72.3 -8.3 -58.8 -39.6 2.6 45.6 45.0 300 303 A T S S- 0 0 64 1,-0.2 -5,-0.2 -4,-0.1 -6,-0.1 -0.814 104.3 -44.7-144.2-176.2 5.2 44.1 47.3 301 304 A S > - 0 0 59 -2,-0.2 4,-1.7 1,-0.1 -1,-0.2 -0.159 53.1-121.0 -53.2 150.4 7.3 45.0 50.4 302 305 A L H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 111.2 55.0 -62.7 -38.1 8.8 48.4 50.3 303 306 A E H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 108.5 45.4 -62.2 -48.0 12.3 47.0 50.6 304 307 A S H > S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 6,-0.3 0.826 112.8 53.0 -66.8 -30.3 12.0 44.6 47.6 305 308 A M H X>S+ 0 0 0 -4,-1.7 5,-2.3 2,-0.2 4,-0.7 0.915 110.4 47.0 -69.1 -42.3 10.5 47.5 45.6 306 309 A L H <5S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 3,-0.2 0.860 113.2 49.4 -66.8 -35.9 13.4 49.7 46.5 307 310 A N H <5S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.856 113.3 43.9 -72.8 -36.4 15.9 46.9 45.6 308 311 A S H <5S- 0 0 78 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.504 111.8-115.1 -86.8 -5.2 14.4 46.1 42.3 309 312 A G T <5 + 0 0 6 -4,-0.7 2,-1.9 1,-0.2 -3,-0.2 0.781 56.7 161.3 76.3 25.2 14.0 49.7 41.2 310 313 A N < + 0 0 53 -5,-2.3 2,-0.3 -6,-0.3 -1,-0.2 -0.561 42.6 79.3 -81.3 78.9 10.2 49.3 41.2 311 314 A F S S- 0 0 2 -2,-1.9 -103,-0.2 -3,-0.1 -104,-0.1 -0.977 89.5 -66.2-173.5 164.1 9.4 53.0 41.4 312 315 A K - 0 0 40 -105,-2.9 2,-0.6 -2,-0.3 -105,-0.0 -0.372 45.4-144.6 -62.6 135.0 9.1 56.3 39.5 313 316 A K + 0 0 103 99,-0.1 2,-0.2 -2,-0.1 99,-0.1 -0.914 49.3 104.2-108.9 117.3 12.4 57.5 38.3 314 317 A T S S- 0 0 8 -2,-0.6 99,-2.1 100,-0.1 100,-0.6 -0.806 72.6 -55.9-162.8-161.3 12.8 61.2 38.3 315 318 A Q E - j 0 414B 25 -98,-0.3 -96,-1.3 -2,-0.2 2,-0.3 -0.685 48.6-169.0 -96.0 152.3 14.7 63.9 40.4 316 319 A I E -ij 219 415B 0 98,-2.6 100,-2.0 -2,-0.3 2,-0.4 -0.998 14.7-163.1-142.7 146.0 14.1 64.2 44.2 317 320 A L E +ij 220 416B 0 -98,-1.9 -96,-2.0 -2,-0.3 2,-0.3 -0.999 30.5 148.0-127.7 123.8 15.1 66.8 46.8 318 321 A L E +ij 221 417B 0 98,-2.4 100,-1.7 -2,-0.4 2,-0.3 -0.969 9.4 149.0-152.3 166.6 14.9 65.7 50.4 319 322 A G E -ij 222 418B 0 -98,-1.8 -96,-2.7 -2,-0.3 -95,-0.4 -0.983 26.7-117.0-178.4-175.2 16.4 66.1 53.9 320 323 A V E - j 0 419B 0 98,-1.4 100,-3.2 -2,-0.3 2,-0.2 -0.882 22.2-112.8-140.3 168.6 16.1 66.2 57.6 321 324 A N E > - j 0 420B 0 -2,-0.3 3,-0.7 98,-0.2 100,-0.2 -0.645 32.4-112.3-100.4 162.8 16.4 68.5 60.6 322 325 A K T 3 S+ 0 0 94 98,-1.8 2,-0.2 1,-0.2 3,-0.2 0.864 108.3 30.8 -63.4 -40.3 19.0 68.2 63.3 323 326 A D B > +p 436 0F 15 112,-2.1 3,-0.7 1,-0.2 114,-0.6 -0.456 64.3 152.1-123.6 63.3 16.8 67.2 66.2 324 327 A E T < S+ 0 0 1 -3,-0.7 3,-0.4 1,-0.2 4,-0.4 0.824 72.1 55.3 -57.8 -35.0 13.9 65.2 64.8 325 328 A G T >> S+ 0 0 0 64,-0.5 4,-1.2 1,-0.2 3,-0.7 0.729 80.1 84.3 -76.8 -23.9 13.4 63.2 68.0 326 329 A S H <> S+ 0 0 0 -3,-0.7 4,-2.4 107,-0.3 3,-0.4 0.823 85.6 56.9 -49.7 -42.9 12.9 65.9 70.7 327 330 A F H 3> S+ 0 0 25 -4,-0.4 4,-2.0 -3,-0.4 -1,-0.2 0.917 108.7 46.9 -55.7 -46.0 9.2 66.4 70.2 328 331 A F H <> S+ 0 0 34 -3,-0.7 4,-1.1 -4,-0.4 -1,-0.2 0.714 111.7 49.4 -72.2 -22.7 8.4 62.8 70.8 329 332 A L H X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.4 7,-0.3 0.858 108.8 53.3 -82.6 -38.6 10.5 62.5 73.9 330 333 A L H < S+ 0 0 14 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.1 0.940 115.5 40.8 -58.7 -47.1 9.0 65.6 75.4 331 334 A Y H < S+ 0 0 77 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.732 134.6 10.4 -76.4 -24.5 5.5 64.2 74.9 332 335 A G H < S+ 0 0 39 -4,-1.1 -3,-0.2 -5,-0.1 -2,-0.2 0.519 97.6 88.6-139.3 0.7 6.1 60.6 75.9 333 336 A A S >< S- 0 0 6 -4,-2.4 3,-1.5 -5,-0.1 19,-0.1 -0.878 75.0-112.7-106.3 134.4 9.5 59.8 77.6 334 337 A P T 3 S+ 0 0 53 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.351 99.0 30.7 -62.7 136.2 9.9 60.0 81.4 335 338 A G T 3 S+ 0 0 34 1,-0.3 2,-0.4 -5,-0.1 -5,-0.1 0.106 91.1 108.1 105.2 -23.3 12.2 62.8 82.5 336 339 A F < + 0 0 11 -3,-1.5 2,-0.3 -7,-0.3 -1,-0.3 -0.767 41.1 169.7 -93.0 134.3 11.6 65.2 79.6 337 340 A S > - 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