==== 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 28-AUG-06 2J4C . COMPND 2 MOLECULE: CHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.P.COLLETIER,M.F.FRASCO,F.CARVALHO,L.GUILHERMINO,J.STOJAN, . 524 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 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 . 39 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 1 1 2 0 1 3 1 0 1 1 0 0 0 0 2 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 . 0 0 1 3 0 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 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 I 0 0 90 0, 0.0 11,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 85.7 120.7 135.9 15.6 2 5 A I E -A 11 0A 70 9,-0.2 2,-0.4 7,-0.0 9,-0.2 -0.995 360.0-163.4-133.2 124.2 123.9 135.3 13.7 3 6 A I E -A 10 0A 18 7,-2.2 7,-1.5 -2,-0.4 2,-0.7 -0.926 16.7-132.0-113.4 135.6 127.2 136.7 14.8 4 7 A A E -A 9 0A 72 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.742 28.5-173.5 -89.3 111.5 130.3 136.9 12.6 5 8 A T E > -A 8 0A 14 3,-2.6 3,-1.8 -2,-0.7 173,-0.1 -0.551 43.0 -95.8 -99.7 166.7 133.5 135.6 14.3 6 9 A K T 3 S+ 0 0 154 1,-0.3 3,-0.1 171,-0.2 42,-0.1 0.597 126.4 38.4 -56.4 -11.9 137.1 135.6 13.1 7 10 A N T 3 S- 0 0 47 1,-0.5 42,-3.7 41,-0.1 -1,-0.3 0.394 129.4 -54.1-121.5 2.6 136.6 132.1 11.7 8 11 A G E < -A 5 0A 13 -3,-1.8 -3,-2.6 40,-0.2 -1,-0.5 -0.815 65.3 -63.2 146.5 174.7 133.1 132.3 10.3 9 12 A K E -A 4 0A 92 -5,-0.3 44,-2.5 -2,-0.2 2,-0.4 -0.532 42.0-162.0 -88.9 156.7 129.5 133.2 11.1 10 13 A V E -Ab 3 53A 0 -7,-1.5 -7,-2.2 42,-0.2 2,-0.6 -0.999 12.3-139.6-143.1 139.4 127.5 131.2 13.7 11 14 A R E -Ab 2 54A 101 42,-3.1 44,-1.0 -2,-0.4 -9,-0.2 -0.892 23.0-167.9-102.1 121.2 123.7 131.0 14.3 12 15 A G - 0 0 3 -11,-2.4 2,-0.3 -2,-0.6 13,-0.2 0.170 13.0-127.4 -85.7-151.6 122.6 131.0 17.9 13 16 A M E -C 24 0B 57 11,-0.7 11,-2.6 42,-0.1 2,-0.2 -0.940 16.6-120.7-161.1 139.7 119.3 130.2 19.4 14 17 A Q E -C 23 0B 88 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.563 25.8-165.5 -87.2 154.3 117.1 132.2 21.8 15 18 A L E -C 22 0B 37 7,-1.8 7,-1.4 -2,-0.2 2,-0.6 -0.894 18.6-125.0-132.6 161.7 116.0 130.8 25.2 16 19 A T E +C 21 0B 122 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.943 34.7 165.3-114.2 116.6 113.4 131.8 27.7 17 20 A V - 0 0 5 3,-1.6 3,-0.2 -2,-0.6 -2,-0.1 -0.992 64.8 -23.5-136.0 127.0 114.6 132.4 31.2 18 21 A F S S- 0 0 65 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.891 125.8 -45.1 40.3 65.9 112.8 134.2 34.0 19 22 A G S S+ 0 0 80 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.870 127.6 70.3 49.8 46.2 110.4 136.2 31.7 20 23 A G S S- 0 0 22 -3,-0.2 -3,-1.6 2,-0.0 2,-0.3 -0.913 79.0 -94.3-166.1-172.9 113.2 137.3 29.3 21 24 A T E -C 16 0B 50 77,-0.4 77,-1.0 -2,-0.3 2,-0.3 -0.892 21.0-173.0-125.4 154.8 115.5 136.0 26.7 22 25 A V E -CD 15 97B 0 -7,-1.4 -7,-1.8 -2,-0.3 2,-0.4 -0.988 21.9-134.6-139.6 132.4 119.1 134.8 26.6 23 26 A T E -CD 14 96B 7 73,-2.3 73,-1.3 -2,-0.3 2,-0.4 -0.746 22.3-167.0 -91.5 142.1 120.9 134.0 23.4 24 27 A A E -CD 13 95B 0 -11,-2.6 -11,-0.7 -2,-0.4 2,-0.7 -0.982 20.5-172.7-135.0 125.9 122.9 130.7 23.3 25 28 A F E > - D 0 94B 1 69,-2.8 69,-0.8 -2,-0.4 3,-0.7 -0.728 24.3-172.4-112.5 76.5 125.5 129.6 20.8 26 29 A L E 3 +m 56 0C 15 29,-0.9 31,-0.8 -2,-0.7 67,-0.2 -0.458 60.9 13.4 -72.0 139.6 126.0 126.0 22.1 27 30 A G E 3 + 0 0 3 1,-0.2 -1,-0.2 -2,-0.2 66,-0.2 0.786 68.9 169.9 70.5 31.9 128.8 124.0 20.5 28 31 A I E < - D 0 92B 0 64,-2.8 64,-3.9 -3,-0.7 -1,-0.2 -0.588 35.6-125.2 -72.7 134.9 130.9 126.6 18.6 29 32 A P E + D 0 91B 7 0, 0.0 62,-0.3 0, 0.0 3,-0.1 -0.545 31.7 175.9 -79.2 151.6 134.1 124.8 17.5 30 33 A Y + 0 0 8 60,-2.0 2,-0.3 1,-0.2 16,-0.2 0.349 59.6 26.9-136.6 -0.5 137.3 126.5 18.7 31 34 A A S S- 0 0 2 59,-0.9 -1,-0.2 14,-0.1 14,-0.2 -0.965 89.4 -81.6-154.7 169.8 140.0 124.2 17.5 32 35 A Q - 0 0 69 12,-2.2 12,-0.4 -2,-0.3 14,-0.1 -0.639 61.1 -94.6 -78.9 128.3 140.9 121.6 14.9 33 36 A P - 0 0 36 0, 0.0 2,-2.3 0, 0.0 55,-0.2 -0.151 35.9-128.8 -42.1 123.5 139.5 118.2 15.8 34 37 A P + 0 0 5 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.264 59.9 140.9 -76.5 56.1 142.4 116.5 17.6 35 38 A L > - 0 0 71 -2,-2.3 3,-2.6 3,-0.1 2,-0.3 -0.559 53.0 -17.7-101.8 162.4 142.2 113.4 15.5 36 39 A G G > S+ 0 0 42 1,-0.3 3,-1.0 2,-0.2 0, 0.0 -0.296 136.9 10.9 53.9-111.6 144.6 111.0 13.8 37 40 A R G 3 S+ 0 0 154 -2,-0.3 -1,-0.3 1,-0.2 225,-0.0 0.744 130.9 58.4 -70.0 -21.5 148.0 112.5 13.6 38 41 A L G X S+ 0 0 11 -3,-2.6 3,-2.1 -5,-0.2 -1,-0.2 0.504 74.4 117.8 -85.7 -9.0 146.8 115.3 15.9 39 42 A R T < S+ 0 0 8 -3,-1.0 -4,-0.1 1,-0.3 3,-0.1 -0.438 87.8 12.1 -60.8 133.8 145.8 112.9 18.8 40 43 A F T 3 S+ 0 0 0 108,-0.5 121,-0.4 1,-0.3 -1,-0.3 0.283 107.2 116.9 79.9 -9.6 148.0 113.8 21.7 41 44 A K S < S- 0 0 18 -3,-2.1 -1,-0.3 118,-0.1 3,-0.1 -0.643 77.7 -91.9 -93.9 151.9 149.1 117.0 20.0 42 45 A K - 0 0 65 115,-0.4 2,-0.1 -2,-0.2 -1,-0.1 -0.140 62.5 -82.0 -51.4 150.1 148.4 120.6 21.2 43 46 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.389 48.8-137.9 -61.9 129.9 145.2 122.0 19.7 44 47 A Q - 0 0 75 -12,-0.4 -12,-2.2 -3,-0.1 -6,-0.0 -0.639 28.6 -92.6 -89.5 148.2 145.9 123.2 16.2 45 48 A S - 0 0 91 -2,-0.3 2,-0.3 -14,-0.2 -1,-0.1 0.004 48.4-103.2 -50.2 165.5 144.4 126.5 15.0 46 49 A L - 0 0 40 -16,-0.2 2,-0.6 -15,-0.1 -1,-0.1 -0.677 21.9-119.2 -99.4 151.8 141.1 126.3 13.2 47 50 A T - 0 0 106 -2,-0.3 -40,-0.1 -16,-0.1 -16,-0.0 -0.778 38.1-113.5 -88.3 119.4 140.4 126.6 9.5 48 51 A K - 0 0 170 -2,-0.6 2,-0.3 -42,-0.1 -40,-0.2 -0.098 38.9-155.5 -49.4 152.6 138.1 129.6 8.8 49 52 A W - 0 0 48 -42,-3.7 2,-0.3 -3,-0.0 -40,-0.2 -0.884 10.2-144.2-133.1 163.7 134.7 128.5 7.4 50 53 A S + 0 0 95 -2,-0.3 -43,-0.0 -42,-0.1 -42,-0.0 -0.749 61.8 51.7-121.0 169.3 131.9 129.9 5.4 51 54 A D S S- 0 0 131 -2,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.837 103.4 -66.2 66.0 109.7 128.1 129.5 5.5 52 55 A I - 0 0 52 1,-0.1 2,-0.3 -42,-0.1 -42,-0.2 0.118 52.1-135.9 -25.6 108.7 126.5 130.1 8.9 53 56 A W E -b 10 0A 82 -44,-2.5 -42,-3.1 -4,-0.1 2,-1.1 -0.568 15.2-130.9 -75.0 131.0 127.6 127.5 11.4 54 57 A N E +b 11 0A 98 -2,-0.3 2,-1.4 -44,-0.2 3,-0.2 -0.646 30.5 172.1 -90.1 91.0 124.7 126.2 13.5 55 58 A A + 0 0 1 -2,-1.1 -29,-0.9 -44,-1.0 -27,-0.1 -0.585 36.4 123.4 -95.5 72.6 125.6 126.3 17.2 56 59 A T B +m 26 0C 52 -2,-1.4 2,-0.3 -31,-0.2 -1,-0.2 0.178 68.0 36.7-116.2 14.3 122.2 125.4 18.5 57 60 A K S S- 0 0 161 -31,-0.8 -1,-0.1 -3,-0.2 0, 0.0 -0.963 92.7 -87.5-163.1 148.2 123.1 122.3 20.5 58 61 A Y - 0 0 47 -2,-0.3 3,-0.1 24,-0.1 -32,-0.1 -0.253 46.5-133.0 -56.5 142.2 125.9 121.0 22.7 59 62 A A - 0 0 19 1,-0.2 30,-0.1 30,-0.1 62,-0.1 -0.059 42.8 -56.4 -85.7-165.8 128.7 119.3 20.7 60 63 A N - 0 0 47 28,-0.3 31,-0.2 23,-0.1 -1,-0.2 -0.372 51.3-127.1 -70.5 154.0 130.3 116.0 21.6 61 64 A S B -n 85 0D 0 23,-1.9 25,-2.2 22,-0.1 2,-0.1 -0.412 37.6 -92.9 -88.7 172.3 131.9 115.6 24.9 62 65 A a - 0 0 2 56,-0.4 25,-0.2 23,-0.2 2,-0.1 -0.515 48.5 -84.2 -88.0 161.7 135.5 114.3 25.0 63 66 A C + 0 0 22 23,-0.4 82,-0.4 -2,-0.1 2,-0.3 -0.409 68.0 142.2 -63.4 134.4 136.5 110.7 25.2 64 67 A Q - 0 0 4 -2,-0.1 53,-0.1 80,-0.1 206,-0.1 -0.965 50.9-103.4-169.4 153.2 136.5 109.6 28.9 65 68 A N - 0 0 53 51,-0.4 2,-0.4 -2,-0.3 206,-0.0 -0.318 43.3-123.9 -78.6 169.9 135.6 106.6 31.0 66 69 A I - 0 0 67 14,-0.1 2,-0.8 51,-0.1 11,-0.1 -0.920 12.9-107.4-128.8 149.5 132.4 106.7 33.0 67 70 A D + 0 0 41 -2,-0.4 3,-0.2 1,-0.2 13,-0.1 -0.548 41.0 163.3 -68.8 107.2 131.2 106.4 36.5 68 71 A Q + 0 0 161 -2,-0.8 -1,-0.2 1,-0.1 9,-0.0 0.163 45.1 103.0-108.8 12.8 129.4 103.0 36.6 69 72 A S S S+ 0 0 65 1,-0.3 -1,-0.1 4,-0.0 -2,-0.1 0.850 93.0 21.9 -67.4 -34.8 129.4 102.7 40.4 70 73 A F S > S- 0 0 35 -3,-0.2 3,-1.9 3,-0.1 7,-0.4 -0.592 79.2-164.0-136.1 76.8 125.8 103.6 40.8 71 74 A P T 3 S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.344 79.6 13.1 -60.8 135.8 123.8 103.0 37.6 72 75 A G T 3 S+ 0 0 65 1,-0.3 2,-0.5 2,-0.1 3,-0.1 0.307 95.9 124.2 82.1 -10.8 120.4 104.8 37.6 73 76 A F X> - 0 0 33 -3,-1.9 4,-2.2 1,-0.2 3,-0.5 -0.750 51.9-156.1 -85.9 125.3 121.5 106.8 40.6 74 77 A H H 3> S+ 0 0 119 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.895 84.2 73.7 -66.5 -42.7 121.2 110.5 39.8 75 78 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.2 2,-0.2 351,-0.1 0.810 116.4 18.5 -40.4 -41.0 123.7 111.6 42.4 76 79 A S H X> S+ 0 0 0 -3,-0.5 3,-2.2 -6,-0.3 4,-0.7 0.819 118.2 61.1-103.0 -39.6 126.5 110.3 40.3 77 80 A E H >< S+ 0 0 76 -4,-2.2 3,-0.6 -7,-0.4 -3,-0.2 0.764 89.2 74.9 -62.0 -19.4 125.0 110.0 36.8 78 81 A M T 3< S+ 0 0 28 -4,-2.4 46,-0.3 1,-0.3 -1,-0.3 0.625 98.6 48.1 -66.0 -10.8 124.4 113.8 36.8 79 82 A W T <4 S+ 0 0 61 -3,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.644 89.9 100.0-101.9 -22.6 128.1 114.1 36.3 80 83 A N S << S- 0 0 30 -4,-0.7 -14,-0.1 -3,-0.6 39,-0.1 -0.360 89.4 -86.2 -65.9 145.3 128.4 111.6 33.5 81 84 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.088 30.8-160.9 -53.2 145.6 128.5 113.1 29.9 82 85 A N + 0 0 82 -3,-0.1 2,-0.3 2,-0.1 -24,-0.1 -0.162 69.5 55.9-124.4 35.1 125.2 113.9 28.2 83 86 A T S S- 0 0 30 0, 0.0 -22,-0.1 0, 0.0 -23,-0.1 -0.949 102.6 -69.4-155.7 156.8 126.4 114.1 24.6 84 87 A D - 0 0 128 -2,-0.3 -23,-1.9 1,-0.1 2,-0.4 -0.231 49.3-123.0 -53.4 136.4 128.3 111.6 22.4 85 88 A L B +n 61 0D 52 -25,-0.2 2,-0.3 -4,-0.1 -23,-0.2 -0.702 47.4 153.9 -82.7 132.0 131.9 111.0 23.4 86 89 A S - 0 0 37 -25,-2.2 -23,-0.4 -2,-0.4 0, 0.0 -0.978 58.4-121.9-154.1 156.3 134.2 111.8 20.6 87 90 A E S S+ 0 0 27 -2,-0.3 2,-1.4 -25,-0.2 3,-0.3 0.707 106.3 78.3 -70.7 -21.0 137.7 112.9 20.0 88 91 A D + 0 0 37 1,-0.2 -28,-0.3 -55,-0.2 -1,-0.2 -0.744 59.7 116.7 -86.2 93.5 136.1 115.7 18.2 89 92 A a + 0 0 1 -2,-1.4 2,-2.3 -30,-0.1 53,-0.3 0.302 21.4 119.6-143.6 4.5 135.1 117.6 21.3 90 93 A L + 0 0 1 -3,-0.3 -60,-2.0 -59,-0.1 -59,-0.9 -0.474 47.1 125.3 -78.2 71.6 137.0 120.9 21.1 91 94 A Y E -D 29 0B 26 -2,-2.3 51,-2.3 -62,-0.3 2,-0.3 -0.883 41.0-159.6-126.3 157.3 133.8 123.1 21.1 92 95 A L E -DE 28 141B 0 -64,-3.9 -64,-2.8 -2,-0.3 2,-0.3 -0.946 8.5-136.9-137.1 158.0 132.7 125.9 23.4 93 96 A N E - E 0 140B 2 47,-2.6 47,-1.2 -2,-0.3 2,-0.4 -0.814 9.5-160.5-115.0 155.3 129.4 127.6 24.3 94 97 A V E -DE 25 139B 0 -69,-0.8 -69,-2.8 -2,-0.3 2,-0.5 -1.000 4.8-169.5-137.0 134.2 128.5 131.2 24.7 95 98 A W E -DE 24 138B 1 43,-1.8 43,-1.3 -2,-0.4 -71,-0.2 -0.914 12.0-178.9-124.2 102.5 125.5 132.6 26.5 96 99 A I E -D 23 0B 7 -73,-1.3 -73,-2.3 -2,-0.5 41,-0.1 -0.779 29.5-115.3 -99.6 142.2 125.1 136.3 25.8 97 100 A P E -D 22 0B 0 0, 0.0 -75,-0.2 0, 0.0 35,-0.1 -0.262 42.7 -82.5 -71.1 170.7 122.3 138.1 27.5 98 101 A A S S+ 0 0 21 -77,-1.0 -77,-0.4 2,-0.1 2,-0.2 -0.983 109.5 35.3-125.0 133.1 119.3 139.6 25.6 99 102 A P S S- 0 0 100 0, 0.0 -76,-0.1 0, 0.0 -78,-0.0 0.605 117.0 -85.3 -70.9 174.5 119.2 142.1 24.3 100 103 A K - 0 0 110 -2,-0.2 -2,-0.1 1,-0.1 83,-0.1 -0.128 48.6-125.4 -45.8 131.5 122.8 142.2 23.1 101 104 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.413 7.3-138.2 -78.8 161.1 125.0 143.6 25.9 102 105 A K S S- 0 0 204 1,-0.1 81,-0.1 -2,-0.1 82,-0.0 0.941 86.7 -12.7 -84.5 -51.4 127.3 146.6 25.2 103 106 A N S S- 0 0 112 82,-0.1 81,-0.2 2,-0.0 2,-0.2 -0.483 84.3-177.2-152.5 68.3 130.5 145.6 27.0 104 107 A A E -f 184 0B 10 79,-2.1 81,-3.1 1,-0.1 84,-0.2 -0.430 29.1-112.5 -82.1 145.2 129.8 142.6 29.3 105 108 A T E - 0 0 16 30,-0.3 32,-2.1 79,-0.2 2,-0.5 -0.467 34.5-134.6 -70.1 138.9 132.1 140.9 31.7 106 109 A V E -fg 189 137B 0 82,-2.8 84,-3.6 79,-0.4 2,-0.5 -0.843 14.5-162.9-105.8 133.3 132.8 137.4 30.7 107 110 A L E -fg 190 138B 2 30,-2.2 32,-2.8 -2,-0.5 2,-0.6 -0.968 8.3-164.4-111.6 114.1 132.8 134.3 32.9 108 111 A I E -fg 191 139B 0 82,-2.2 84,-2.8 -2,-0.5 2,-0.4 -0.895 7.9-153.8-104.0 116.9 134.6 131.3 31.5 109 112 A W E -fg 192 140B 0 30,-3.2 32,-0.6 -2,-0.6 2,-0.5 -0.730 8.8-167.5 -92.5 135.3 133.8 128.0 33.2 110 113 A I E -f 193 0B 0 82,-1.7 84,-0.8 -2,-0.4 91,-0.2 -0.923 23.6-135.9-122.6 102.5 136.3 125.2 33.2 111 114 A Y - 0 0 0 -2,-0.5 2,-0.1 30,-0.4 9,-0.1 -0.104 11.2-132.6 -59.6 153.7 134.7 122.0 34.4 112 115 A G + 0 0 5 84,-0.1 7,-0.2 7,-0.1 83,-0.2 -0.284 43.2 138.3 -93.9-176.5 136.2 119.6 36.9 113 116 A G S >> S- 0 0 22 -2,-0.1 4,-2.5 5,-0.1 3,-1.9 0.479 83.0 -79.8 145.4 31.2 136.4 115.8 36.7 114 117 A G T 34 S- 0 0 21 1,-0.3 173,-0.2 2,-0.2 32,-0.1 0.717 75.3 -79.4 56.9 23.3 139.8 114.8 37.9 115 118 A F T 34 S+ 0 0 0 2,-0.3 31,-3.4 1,-0.1 -1,-0.3 0.511 132.4 79.7 63.8 2.4 141.3 115.7 34.5 116 119 A Q T <4 S+ 0 0 20 -3,-1.9 -51,-0.4 29,-0.3 2,-0.2 0.646 99.4 11.2-109.8 -25.3 139.9 112.3 33.5 117 120 A T S < S+ 0 0 52 -4,-2.5 -2,-0.3 -53,-0.1 2,-0.1 -0.793 70.1 99.4-142.6-178.7 136.3 113.2 32.9 118 121 A G - 0 0 4 -2,-0.2 -56,-0.4 -39,-0.1 2,-0.3 -0.282 33.1-150.5 116.5 160.4 133.8 116.1 32.6 119 122 A T > - 0 0 0 -7,-0.2 3,-0.8 -58,-0.1 -7,-0.1 -0.959 23.8-126.4-161.9 152.0 132.0 118.0 30.0 120 123 A S T 3 S+ 0 0 0 -2,-0.3 22,-0.1 1,-0.2 5,-0.1 0.602 99.9 72.7 -78.5 -12.7 130.6 121.6 29.6 121 124 A S T 3 + 0 0 2 -62,-0.1 -1,-0.2 5,-0.1 -63,-0.1 0.391 66.4 127.8 -82.6 4.1 127.1 120.4 28.6 122 125 A L X - 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0 0 6 -4,-1.5 3,-1.8 -5,-0.3 -1,-0.3 -0.759 63.2-119.3 -88.6 114.9 136.3 102.9 51.5 332 335 A P T 3 S+ 0 0 47 0, 0.0 18,-0.1 0, 0.0 3,-0.1 -0.270 96.3 23.1 -54.0 128.4 135.4 99.7 53.4 333 336 A G T 3 S+ 0 0 38 1,-0.3 2,-0.3 9,-0.1 -5,-0.1 0.340 99.0 121.0 95.1 -2.7 132.2 100.0 55.5 334 337 A F < + 0 0 24 -3,-1.8 -1,-0.3 -7,-0.2 2,-0.3 -0.734 27.2 154.6-100.6 145.3 130.9 102.8 53.3 335 338 A S > - 0 0 32 -2,-0.3 3,-0.7 3,-0.2 5,-0.1 -0.952 45.8-135.4-161.3 143.0 127.7 102.9 51.2 336 339 A K T 3 S+ 0 0 33 -2,-0.3 94,-0.1 1,-0.2 93,-0.1 0.571 107.0 65.8 -76.1 -6.0 125.5 105.7 50.0 337 340 A D T 3 S+ 0 0 117 90,-0.1 -1,-0.2 89,-0.1 2,-0.2 0.626 104.6 26.0 -95.1 -12.4 122.8 103.4 51.2 338 341 A N S < S- 0 0 85 -3,-0.7 -3,-0.2 89,-0.0 91,-0.1 -0.678 94.5 -85.7-132.2-170.2 123.4 103.2 55.0 339 342 A N - 0 0 99 -2,-0.2 3,-0.2 2,-0.1 -3,-0.1 0.349 51.0-141.2 -81.6 7.0 124.8 105.4 57.8 340 343 A S - 0 0 1 1,-0.2 2,-1.2 -5,-0.1 -6,-0.0 0.791 28.3-179.2 33.7 46.5 128.2 104.0 56.9 341 344 A I - 0 0 65 41,-0.1 2,-0.2 40,-0.0 -1,-0.2 -0.642 11.4-170.0 -73.9 99.6 129.1 103.8 60.7 342 345 A I - 0 0 4 -2,-1.2 39,-0.4 -3,-0.2 40,-0.3 -0.654 14.8-131.7 -97.1 154.8 132.6 102.4 60.5 343 346 A T > - 0 0 82 -2,-0.2 4,-1.4 38,-0.1 -1,-0.1 -0.093 36.7 -92.8 -85.2-171.8 134.9 101.1 63.2 344 347 A R H > S+ 0 0 108 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.859 125.5 53.7 -74.1 -37.0 138.5 102.0 63.8 345 348 A K H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 108.7 50.4 -64.9 -37.3 139.8 99.1 61.8 346 349 A E H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.865 110.6 48.5 -67.1 -37.2 137.7 100.3 59.0 347 350 A F H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.927 111.3 51.5 -67.2 -45.9 139.1 103.8 59.3 348 351 A Q H X S+ 0 0 63 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.900 112.6 43.8 -59.0 -41.2 142.5 102.3 59.4 349 352 A E H X S+ 0 0 63 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.879 108.8 61.3 -70.3 -36.8 141.8 100.3 56.2 350 353 A G H >X S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 4,-1.1 0.954 102.2 49.4 -52.9 -53.5 140.3 103.5 54.8 351 354 A L H >X S+ 0 0 2 -4,-2.6 4,-3.4 1,-0.3 3,-0.5 0.867 101.8 62.6 -54.9 -39.1 143.6 105.3 55.1 352 355 A K H 3< S+ 0 0 100 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.778 104.3 52.6 -55.9 -26.2 145.4 102.5 53.3 353 356 A I H << S+ 0 0 26 -3,-1.7 -1,-0.2 -4,-0.9 -2,-0.2 0.825 117.8 30.1 -78.6 -38.6 143.1 103.3 50.4 354 357 A F H << S+ 0 0 14 -4,-1.1 -2,-0.2 -3,-0.5 3,-0.2 0.761 125.8 42.6 -96.1 -31.0 143.8 107.0 50.1 355 358 A F S < S+ 0 0 3 -4,-3.4 -1,-0.3 -5,-0.2 3,-0.2 -0.772 72.9 151.4-118.2 79.8 147.3 107.1 51.3 356 359 A P S S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.826 71.6 40.2 -77.2 -39.7 148.6 104.0 49.5 357 360 A G S S+ 0 0 85 -3,-0.2 2,-0.3 -78,-0.1 -5,-0.1 0.219 94.7 114.4 -97.9 16.7 152.2 104.8 49.0 358 361 A V S S- 0 0 28 -3,-0.2 -3,-0.1 1,-0.1 5,-0.0 -0.640 70.7-107.2 -90.6 144.2 152.4 106.3 52.5 359 362 A S > - 0 0 47 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.045 26.6-111.2 -60.8 165.8 154.5 104.7 55.3 360 363 A E H > S+ 0 0 120 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.916 120.6 49.7 -65.5 -42.8 152.9 102.9 58.3 361 364 A F H >> S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.929 105.5 56.4 -61.9 -47.0 154.0 105.8 60.6 362 365 A G H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.867 107.3 48.8 -53.6 -39.2 152.5 108.4 58.3 363 366 A K H 3X S+ 0 0 32 -4,-1.5 4,-2.3 2,-0.2 -1,-0.3 0.785 107.6 54.9 -72.6 -26.1 149.2 106.6 58.5 364 367 A E H - 0 0 127 1,-0.1 3,-0.5 -4,-0.0 4,-0.2 -0.758 360.0-132.5 175.0 141.1 130.5 108.5 69.9 378 382 A P T 3 S+ 0 0 82 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.891 99.8 48.3 -73.7 -48.5 129.5 106.2 66.9 379 383 A E T 3> S+ 0 0 45 1,-0.2 4,-1.3 2,-0.1 5,-0.1 0.018 84.1 104.5 -85.7 30.2 129.8 108.4 63.7 380 384 A N H <> S+ 0 0 16 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.960 82.6 37.6 -73.7 -54.4 133.3 109.6 64.9 381 385 A Y H > S+ 0 0 35 -3,-0.5 4,-1.7 -39,-0.4 -1,-0.2 0.772 113.2 57.5 -71.9 -26.6 135.4 107.5 62.6 382 386 A R H > S+ 0 0 24 -4,-0.3 4,-1.3 -40,-0.3 -1,-0.2 0.958 114.2 38.7 -66.0 -48.6 133.0 107.9 59.6 383 387 A E H X S+ 0 0 75 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.786 111.2 59.8 -70.3 -29.2 133.3 111.7 59.9 384 388 A A H X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.872 105.4 48.9 -66.9 -37.9 137.1 111.5 60.7 385 389 A L H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.857 109.4 52.3 -70.2 -36.9 137.7 109.7 57.4 386 390 A G H X S+ 0 0 3 -4,-1.3 4,-3.2 2,-0.2 -2,-0.2 0.986 112.2 43.9 -63.2 -58.1 135.7 112.3 55.5 387 391 A D H X>S+ 0 0 48 -4,-2.3 4,-3.5 1,-0.2 5,-0.5 0.865 109.7 57.5 -56.4 -39.2 137.6 115.2 56.9 388 392 A V H X5S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.980 114.6 37.2 -54.3 -55.6 140.9 113.4 56.4 389 393 A V H X5S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.916 121.8 46.1 -62.6 -43.2 140.2 113.1 52.7 390 394 A G H X>S+ 0 0 1 -4,-3.2 4,-2.6 -5,-0.2 5,-1.4 0.971 115.8 43.2 -62.3 -56.7 138.6 116.5 52.5 391 395 A D H <>S+ 0 0 1 -4,-3.5 5,-2.0 -5,-0.2 -2,-0.2 0.928 118.4 46.2 -55.6 -51.2 141.2 118.4 54.5 392 396 A Y H < S+ 0 0 11 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.941 111.1 52.4 -57.0 -40.9 145.6 122.9 49.7 398 402 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.910 111.3 46.7 -58.6 -44.4 143.0 125.6 48.9 399 403 A L H X S+ 0 0 18 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.904 112.0 49.5 -66.8 -41.9 143.9 127.5 52.0 400 404 A E H X S+ 0 0 43 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.936 113.2 46.8 -63.9 -44.5 147.7 127.3 51.4 401 405 A F H X S+ 0 0 2 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.967 113.3 47.9 -58.1 -54.8 147.3 128.5 47.8 402 406 A T H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.947 114.8 47.8 -50.4 -55.5 145.0 131.3 48.8 403 407 A K H X S+ 0 0 61 -4,-2.6 4,-1.7 1,-0.2 3,-0.4 0.923 112.6 45.2 -52.6 -58.2 147.5 132.3 51.6 404 408 A K H < S+ 0 0 41 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 111.8 55.0 -57.5 -35.1 150.6 132.2 49.5 405 409 A F H ><>S+ 0 0 0 -4,-2.4 3,-1.0 -5,-0.3 5,-0.5 0.849 105.5 50.8 -68.2 -35.4 148.9 134.1 46.7 406 410 A S H ><5S+ 0 0 11 -4,-1.7 3,-2.5 -3,-0.4 -1,-0.2 0.860 92.6 76.0 -68.2 -38.0 147.9 137.0 49.0 407 411 A E T 3<5S+ 0 0 84 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.593 89.8 61.4 -50.2 -10.3 151.5 137.3 50.3 408 412 A W T < 5S- 0 0 113 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.1 0.073 124.1 -95.4-109.7 26.1 152.1 139.0 46.9 409 413 A G T < 5S+ 0 0 68 -3,-2.5 -3,-0.1 1,-0.2 -2,-0.1 -0.111 80.3 124.8 96.7 -36.8 149.8 141.9 47.4 410 414 A N < - 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