==== 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 08-APR-09 2WFM . COMPND 2 MOLECULE: POLYNEURIDINE ALDEHYDE ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RAUVOLFIA SERPENTINA; . AUTHOR L.YANG,M.HILL,S.PANJIKAR,M.WANG,J.STOECKIGT . 1275 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 865 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 156 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 3.2 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 . 1 0.1 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 . 76 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 193 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 332 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.0 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 9 0 4 11 1 4 10 6 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 9 12 1 3 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 . 5 0 0 0 4 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 5 0 0 5 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 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 9 A Q 0 0 204 0, 0.0 2,-0.2 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 90.7 -37.7 35.0 23.3 2 10 A Q - 0 0 137 28,-0.1 2,-0.3 1,-0.0 28,-0.1 -0.388 360.0-161.7 -71.9 130.8 -39.6 33.3 26.2 3 11 A K - 0 0 51 -2,-0.2 28,-2.5 70,-0.0 2,-0.6 -0.804 13.8-138.2-108.7 153.4 -37.7 30.9 28.4 4 12 A H E -a 31 0A 22 68,-0.5 70,-2.5 -2,-0.3 2,-0.5 -0.928 21.1-162.1-111.0 106.1 -39.0 28.2 30.7 5 13 A F E -ab 32 74A 0 26,-3.2 28,-3.1 -2,-0.6 2,-0.6 -0.749 5.2-161.7 -92.8 128.7 -37.2 28.2 34.1 6 14 A V E -ab 33 75A 0 68,-2.9 70,-2.5 -2,-0.5 2,-0.4 -0.959 12.4-154.9-110.8 115.6 -37.4 25.1 36.3 7 15 A L E -ab 34 76A 0 26,-2.9 28,-2.0 -2,-0.6 2,-0.4 -0.815 7.7-166.9-100.0 130.6 -36.4 25.9 39.8 8 16 A V E -ab 35 77A 0 68,-3.0 70,-1.7 -2,-0.4 73,-0.1 -0.962 8.8-148.4-125.7 118.7 -35.0 23.2 42.2 9 17 A H - 0 0 0 26,-0.5 3,-0.1 -2,-0.4 6,-0.1 -0.246 15.7-118.3 -83.4 161.5 -34.7 23.7 46.0 10 18 A G > - 0 0 0 1,-0.2 3,-1.3 70,-0.1 -1,-0.1 -0.056 54.7 -44.2 -84.2-164.0 -32.1 22.1 48.3 11 19 A G T 3 S+ 0 0 12 1,-0.2 -1,-0.2 166,-0.1 3,-0.1 -0.345 121.1 4.9 -70.4 136.8 -32.6 19.8 51.3 12 20 A C T 3 S+ 0 0 4 1,-0.2 163,-0.7 164,-0.2 -1,-0.2 0.607 113.8 89.4 74.6 5.7 -35.3 20.4 53.9 13 21 A L < - 0 0 4 -3,-1.3 28,-0.8 161,-0.2 2,-0.3 -0.268 59.4-156.0-110.8-156.1 -36.8 23.3 51.8 14 22 A G > - 0 0 0 26,-0.2 3,-1.8 -2,-0.1 4,-0.2 -0.967 43.3 -65.6-169.8-174.0 -39.4 23.4 49.1 15 23 A A G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.3 21,-0.1 0.788 114.4 78.2 -58.4 -27.1 -40.8 25.3 46.1 16 24 A W G > S+ 0 0 1 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.723 74.9 74.1 -59.8 -19.4 -41.8 28.1 48.4 17 25 A I G < S+ 0 0 0 -3,-1.8 3,-0.4 1,-0.3 -1,-0.3 0.761 91.6 58.2 -66.8 -19.4 -38.2 29.4 48.6 18 26 A W G <> + 0 0 0 -3,-2.1 4,-2.8 -4,-0.2 -1,-0.3 0.176 69.5 112.1 -92.4 14.7 -38.7 30.7 45.0 19 27 A Y T <4 S+ 0 0 4 -3,-1.7 -1,-0.2 1,-0.2 917,-0.2 0.698 83.8 39.5 -67.0 -18.6 -41.7 32.9 45.9 20 28 A K T > S+ 0 0 42 -3,-0.4 4,-0.8 219,-0.2 -1,-0.2 0.806 118.3 45.3 -98.7 -34.5 -39.7 36.1 45.3 21 29 A L H >> S+ 0 0 0 -4,-0.3 4,-2.3 218,-0.2 3,-0.6 0.934 103.2 64.7 -75.9 -41.9 -37.7 35.0 42.2 22 30 A K H 3X S+ 0 0 28 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.895 104.1 44.0 -49.4 -52.3 -40.7 33.4 40.4 23 31 A P H 3> S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.804 110.5 56.3 -65.7 -28.4 -42.6 36.7 39.9 24 32 A L H S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 -1,-0.2 0.872 114.5 49.3 -68.1 -39.1 -38.9 36.0 36.1 26 34 A E H ><5S+ 0 0 72 -4,-2.2 3,-1.7 -5,-0.3 -2,-0.2 0.899 107.0 54.5 -67.2 -43.0 -42.5 36.1 35.0 27 35 A S H 3<5S+ 0 0 107 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.862 103.8 57.3 -49.2 -41.3 -42.5 40.0 35.0 28 36 A A T 3<5S- 0 0 51 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.551 129.7-101.0 -72.2 -5.6 -39.6 39.6 32.6 29 37 A G T < 5S+ 0 0 40 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.521 78.1 126.7 104.5 7.8 -41.9 37.5 30.4 30 38 A H < - 0 0 21 -5,-2.1 2,-0.4 -28,-0.1 -1,-0.3 -0.548 58.9-114.9-105.7 162.4 -40.9 34.0 31.1 31 39 A K E -a 4 0A 109 -28,-2.5 -26,-3.2 -2,-0.2 2,-0.4 -0.728 32.3-168.2 -87.8 140.7 -42.4 30.7 32.2 32 40 A V E -a 5 0A 10 -2,-0.4 2,-0.5 -28,-0.2 -26,-0.2 -0.997 14.1-172.9-133.1 132.2 -41.4 29.3 35.6 33 41 A T E -a 6 0A 38 -28,-3.1 -26,-2.9 -2,-0.4 2,-0.6 -0.996 7.1-168.6-119.6 120.5 -42.0 25.9 37.2 34 42 A A E -a 7 0A 21 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.948 17.2-154.3-109.6 114.9 -41.0 25.7 40.9 35 43 A V E -a 8 0A 12 -28,-2.0 2,-0.6 -2,-0.6 -26,-0.5 -0.650 15.1-143.8 -97.2 145.3 -41.1 22.1 41.9 36 44 A D - 0 0 28 -2,-0.3 3,-0.1 -22,-0.2 -22,-0.1 -0.951 25.8-142.7 -93.6 120.8 -41.5 20.4 45.4 37 45 A L > - 0 0 0 -2,-0.6 3,-1.9 1,-0.2 6,-0.2 -0.293 46.6 -59.6 -74.8 170.6 -39.3 17.3 45.5 38 46 A S T 3 S+ 0 0 7 18,-2.1 -1,-0.2 1,-0.3 3,-0.1 -0.346 124.7 2.9 -61.1 132.2 -40.7 14.2 47.3 39 47 A A T 3 S+ 0 0 4 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.687 110.1 110.2 65.0 24.1 -41.5 14.9 51.0 40 48 A A S X S- 0 0 4 -3,-1.9 3,-2.3 6,-0.1 -1,-0.3 -0.900 78.4 -11.3-122.6 152.7 -40.5 18.6 50.6 41 49 A G T 3 S- 0 0 1 -28,-0.8 900,-0.1 -2,-0.3 -27,-0.1 -0.337 130.4 -28.1 63.3-135.5 -42.8 21.5 50.7 42 50 A I T 3 S+ 0 0 43 898,-0.3 -1,-0.3 900,-0.1 -28,-0.1 0.109 95.8 137.8-102.0 20.6 -46.5 20.5 50.5 43 51 A N < - 0 0 27 -3,-2.3 -6,-0.1 -6,-0.2 -5,-0.0 -0.500 55.9-135.1 -61.4 129.6 -45.6 17.3 48.6 44 52 A P S S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.598 70.5 102.9 -70.3 -13.1 -47.7 14.6 50.2 45 53 A R - 0 0 146 -5,-0.1 2,-0.3 1,-0.0 3,-0.0 -0.389 68.8-129.3 -70.3 154.4 -45.1 11.9 50.5 46 54 A R > - 0 0 125 1,-0.1 3,-1.8 -8,-0.0 4,-0.2 -0.781 16.6-123.7 -98.0 147.0 -43.5 11.2 53.9 47 55 A L G > S+ 0 0 21 -2,-0.3 3,-2.5 1,-0.3 -1,-0.1 0.895 109.5 62.6 -59.3 -38.6 -39.7 11.1 54.1 48 56 A D G 3 S+ 0 0 74 1,-0.3 -1,-0.3 90,-0.0 96,-0.0 0.574 100.2 53.3 -70.6 -3.9 -39.8 7.6 55.6 49 57 A E G < S+ 0 0 94 -3,-1.8 2,-0.6 1,-0.1 -1,-0.3 0.325 94.8 81.3-103.7 9.7 -41.3 6.3 52.4 50 58 A I < + 0 0 6 -3,-2.5 -1,-0.1 -4,-0.2 3,-0.0 -0.942 44.4 152.8-114.7 109.6 -38.5 7.8 50.3 51 59 A H + 0 0 82 -2,-0.6 2,-0.4 93,-0.1 -1,-0.1 0.517 54.9 57.9-114.0 -9.0 -35.4 5.7 50.3 52 60 A T S > S- 0 0 41 1,-0.1 4,-2.1 131,-0.1 5,-0.1 -0.917 72.5-129.6-125.0 150.0 -33.7 6.5 47.0 53 61 A F H > S+ 0 0 7 -2,-0.4 4,-2.0 127,-0.2 5,-0.1 0.821 112.7 55.8 -57.3 -37.6 -32.4 9.6 45.4 54 62 A R H > S+ 0 0 138 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.911 107.3 47.9 -61.7 -44.2 -34.4 8.7 42.3 55 63 A D H >4 S+ 0 0 81 1,-0.2 3,-0.7 2,-0.2 -17,-0.2 0.897 112.0 51.7 -62.3 -40.5 -37.6 8.5 44.3 56 64 A Y H 3< S+ 0 0 7 -4,-2.1 -18,-2.1 1,-0.2 -1,-0.2 0.876 112.7 43.3 -61.5 -42.2 -36.7 11.9 45.9 57 65 A S H >X S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 4,-1.5 0.488 82.3 106.9 -85.0 -3.3 -36.1 13.6 42.6 58 66 A E H S+ 0 0 14 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.846 107.2 47.8 -65.0 -24.7 -41.2 15.3 40.8 60 68 A L H <> S+ 0 0 0 -3,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.869 108.5 54.4 -75.9 -37.8 -38.5 17.0 38.8 61 69 A M H X S+ 0 0 10 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.866 105.3 53.5 -63.1 -36.1 -38.4 14.1 36.4 62 70 A E H X S+ 0 0 116 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.859 108.9 49.0 -64.3 -39.5 -42.1 14.4 35.8 63 71 A V H >< S+ 0 0 23 -4,-1.2 3,-1.0 -5,-0.2 -2,-0.2 0.948 111.9 49.8 -61.0 -46.6 -41.6 18.1 34.9 64 72 A M H >< S+ 0 0 2 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.858 108.0 52.6 -60.1 -40.2 -38.8 17.1 32.6 65 73 A A H 3< S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.637 103.9 58.2 -71.3 -19.2 -40.9 14.4 30.8 66 74 A S T << S+ 0 0 86 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.270 74.9 112.4-100.2 10.8 -43.7 16.8 30.1 67 75 A I S < S- 0 0 14 -3,-1.1 6,-0.1 -4,-0.1 -3,-0.0 -0.714 72.2-119.2 -81.3 127.6 -41.6 19.3 28.1 68 76 A P > - 0 0 54 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.249 21.4-104.8 -69.4 160.1 -42.8 19.1 24.5 69 77 A P T 3 S+ 0 0 127 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.782 118.5 57.7 -49.8 -36.9 -40.5 18.1 21.5 70 78 A D T 3 S+ 0 0 162 2,-0.0 2,-0.2 0, 0.0 -3,-0.0 0.683 103.5 81.1 -63.2 -16.8 -40.2 21.8 20.3 71 79 A E < - 0 0 80 -3,-2.0 2,-0.3 25,-0.0 -4,-0.1 -0.553 47.1-174.6-120.9 155.1 -38.8 22.9 23.6 72 80 A K - 0 0 119 -2,-0.2 -68,-0.5 24,-0.0 2,-0.3 -0.955 17.7-145.5-130.9 159.6 -36.0 23.3 26.2 73 81 A V E - c 0 96A 1 22,-2.3 24,-2.2 -2,-0.3 25,-0.7 -0.862 13.9-129.2-118.2 154.3 -35.8 24.5 29.8 74 82 A V E -bc 5 98A 2 -70,-2.5 -68,-2.9 -2,-0.3 2,-0.4 -0.932 29.2-149.7 -94.3 121.2 -33.3 26.4 31.9 75 83 A L E -bc 6 99A 0 23,-1.9 25,-3.8 -2,-0.6 2,-0.4 -0.756 15.2-176.7 -92.5 136.8 -32.6 24.6 35.2 76 84 A L E +bc 7 100A 0 -70,-2.5 -68,-3.0 -2,-0.4 2,-0.4 -0.988 9.4 166.9-130.0 126.2 -31.7 26.4 38.4 77 85 A G E -bc 8 101A 0 23,-2.3 25,-2.6 -2,-0.4 2,-0.3 -0.998 16.9-155.6-139.5 144.4 -30.8 24.6 41.5 78 86 A H E > - c 0 102A 3 -70,-1.7 3,-2.5 -2,-0.4 26,-0.2 -0.827 58.6 -24.5-113.4 150.0 -29.3 25.5 44.8 79 87 A S E > S- c 0 104A 47 24,-1.3 3,-2.2 23,-1.0 26,-1.1 -0.131 136.6 -0.0 60.9-139.1 -27.4 23.5 47.4 80 88 A F T >> S+ 0 0 6 1,-0.3 3,-1.8 2,-0.2 4,-0.8 0.700 118.0 85.6 -60.1 -15.4 -28.4 19.7 47.2 81 89 A G H <> S+ 0 0 1 -3,-2.5 4,-1.7 1,-0.3 -1,-0.3 0.715 74.6 72.0 -54.3 -23.6 -30.7 20.8 44.4 82 90 A G H <> S+ 0 0 0 -3,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.816 88.8 57.5 -64.1 -34.4 -27.6 20.3 42.2 83 91 A M H <> S+ 0 0 0 -3,-1.8 4,-1.5 -4,-0.2 -1,-0.2 0.877 105.7 50.0 -63.6 -39.3 -27.8 16.6 42.4 84 92 A S H X S+ 0 0 1 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.876 108.5 52.7 -65.2 -43.0 -31.3 16.5 41.0 85 93 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.942 106.5 54.1 -50.4 -51.7 -30.2 18.8 38.1 86 94 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.902 109.2 47.3 -54.5 -40.9 -27.5 16.2 37.5 87 95 A L H X S+ 0 0 7 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.879 113.1 48.0 -69.2 -36.4 -30.1 13.4 37.3 88 96 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.866 112.5 50.8 -68.4 -37.7 -32.3 15.5 34.9 89 97 A M H < S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.864 111.0 47.2 -67.8 -38.1 -29.2 16.3 32.8 90 98 A E H < S+ 0 0 31 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.854 121.7 36.4 -71.7 -32.7 -28.3 12.6 32.6 91 99 A T H < S+ 0 0 42 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.863 131.9 22.0 -92.6 -39.7 -31.8 11.6 31.7 92 100 A Y >< + 0 0 59 -4,-3.1 3,-1.5 -5,-0.2 4,-0.2 -0.441 68.1 152.3-126.4 56.1 -33.1 14.4 29.5 93 101 A P G > S+ 0 0 15 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.896 74.2 53.3 -55.8 -40.1 -29.9 16.1 28.1 94 102 A E G 3 S+ 0 0 102 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.615 100.3 62.6 -73.7 -10.6 -31.6 17.4 25.0 95 103 A K G < S+ 0 0 27 -3,-1.5 -22,-2.3 -23,-0.1 2,-0.4 0.400 92.7 76.4 -89.1 3.5 -34.4 19.0 26.9 96 104 A I E < -c 73 0A 7 -3,-1.4 103,-0.3 -24,-0.3 -22,-0.2 -0.953 50.2-173.6-123.9 123.5 -32.1 21.5 28.7 97 105 A S E S- 0 0 51 -24,-2.2 102,-0.5 -2,-0.4 2,-0.3 0.911 81.8 -11.0 -79.1 -44.2 -30.5 24.6 27.2 98 106 A V E -c 74 0A 3 -25,-0.7 -23,-1.9 100,-0.1 2,-0.6 -0.981 59.0-142.1-153.9 138.8 -28.3 25.3 30.3 99 107 A A E -cd 75 200A 0 100,-2.5 102,-2.4 -2,-0.3 2,-0.6 -0.957 21.1-156.2-103.1 114.1 -28.2 23.9 33.9 100 108 A V E -cd 76 201A 0 -25,-3.8 -23,-2.3 -2,-0.6 2,-0.6 -0.845 4.1-162.6 -94.3 120.2 -27.5 26.7 36.4 101 109 A F E -cd 77 202A 0 100,-3.0 102,-2.6 -2,-0.6 2,-0.6 -0.890 5.4-168.1-100.4 115.5 -25.9 25.6 39.8 102 110 A M E S-cd 78 203A 0 -25,-2.6 -23,-1.0 -2,-0.6 102,-0.2 -0.909 74.3 -30.2-107.4 117.8 -26.2 28.3 42.5 103 111 A S E S+ 0 0 0 100,-1.9 -24,-1.3 -2,-0.6 2,-0.3 0.945 115.4 133.1 37.9 57.3 -24.1 27.7 45.6 104 112 A A E -c 79 0A 0 -26,-0.2 2,-0.5 -3,-0.2 -1,-0.2 -0.849 69.6 -92.5-135.2 165.8 -24.6 24.0 44.8 105 113 A M - 0 0 17 -26,-1.1 -3,-0.1 -2,-0.3 111,-0.0 -0.662 38.1-161.4 -74.8 121.9 -23.1 20.6 44.4 106 114 A M - 0 0 1 -2,-0.5 -23,-0.1 -5,-0.1 -24,-0.0 -0.911 16.1-134.3-110.3 108.7 -22.1 20.3 40.7 107 115 A P - 0 0 2 0, 0.0 6,-0.1 0, 0.0 5,-0.1 -0.139 7.0-145.1 -64.8 162.3 -21.6 16.6 39.8 108 116 A D > - 0 0 27 4,-0.3 3,-2.1 3,-0.1 82,-0.2 -0.998 8.8-144.8-127.5 120.9 -18.6 15.3 37.8 109 117 A P T 3 S+ 0 0 9 0, 0.0 83,-0.2 0, 0.0 628,-0.1 0.535 99.7 63.4 -65.3 -9.5 -19.2 12.3 35.4 110 118 A N T 3 S+ 0 0 9 81,-0.1 627,-1.2 626,-0.1 2,-0.3 0.464 102.9 53.4 -89.3 -5.8 -15.7 11.1 36.2 111 119 A H S < S- 0 0 13 -3,-2.1 79,-0.3 625,-0.2 -3,-0.1 -0.845 91.2 -95.0-128.2 164.2 -16.6 10.5 39.9 112 120 A S > - 0 0 52 -2,-0.3 3,-0.8 621,-0.2 -4,-0.3 -0.205 42.5-105.9 -70.4 170.8 -19.1 8.7 41.9 113 121 A L T 3 S+ 0 0 8 71,-0.5 4,-0.2 74,-0.3 72,-0.2 0.681 117.2 58.0 -77.8 -14.0 -22.2 10.6 43.1 114 122 A T T >> S+ 0 0 9 70,-0.3 4,-2.1 1,-0.1 3,-1.2 0.676 80.3 88.6 -82.6 -14.6 -20.9 10.6 46.7 115 123 A Y H <> S+ 0 0 30 -3,-0.8 4,-2.6 1,-0.3 5,-0.2 0.837 82.2 55.1 -61.4 -40.2 -17.6 12.4 45.9 116 124 A P H 3> S+ 0 0 5 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.823 111.9 46.5 -54.3 -37.9 -18.9 16.0 46.3 117 125 A F H <> S+ 0 0 10 -3,-1.2 4,-2.4 -4,-0.2 -2,-0.2 0.898 110.0 51.2 -77.1 -42.2 -20.1 15.0 49.8 118 126 A E H X S+ 0 0 95 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.916 111.2 49.5 -58.0 -44.2 -16.9 13.3 50.7 119 127 A K H X S+ 0 0 38 -4,-2.6 4,-1.2 -5,-0.2 -2,-0.2 0.877 110.1 52.1 -63.7 -38.1 -15.1 16.5 49.6 120 128 A Y H X S+ 0 0 32 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.901 108.4 49.0 -56.5 -47.8 -17.6 18.6 51.7 121 129 A N H < S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.896 108.5 56.9 -61.3 -40.9 -16.9 16.5 54.8 122 130 A E H < S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.785 115.3 33.9 -66.4 -29.9 -13.2 17.0 54.1 123 131 A K H < S+ 0 0 100 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.662 112.2 65.3-101.9 -11.8 -13.3 20.8 54.1 124 132 A C S < S- 0 0 12 -4,-1.8 -1,-0.0 253,-0.2 4,-0.0 -0.888 83.9-107.8-119.5 143.6 -16.0 21.4 56.7 125 133 A P > - 0 0 51 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.110 27.1-119.4 -61.9 154.8 -16.1 20.6 60.4 126 134 A A T 3 S+ 0 0 8 1,-0.3 3,-0.3 2,-0.1 259,-0.2 0.681 114.7 53.0 -76.9 -10.9 -18.3 17.8 61.7 127 135 A D T > S+ 0 0 47 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.171 71.6 116.9-101.9 21.3 -20.2 20.3 63.8 128 136 A M T < + 0 0 10 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.782 67.6 62.8 -66.8 -24.3 -21.0 22.7 60.9 129 137 A M T > S- 0 0 24 -3,-0.3 3,-2.4 1,-0.2 21,-0.4 0.312 83.0-164.1 -91.3 18.2 -24.7 22.2 61.2 130 138 A L T < S+ 0 0 4 -3,-1.8 260,-2.0 1,-0.3 -1,-0.2 -0.122 71.1 1.9 49.2-122.7 -25.0 23.6 64.7 131 139 A D T 3 S+ 0 0 11 258,-0.3 -1,-0.3 19,-0.1 260,-0.1 0.290 96.8 122.9 -87.8 11.4 -28.3 22.6 66.3 132 140 A S < - 0 0 2 -3,-2.4 2,-0.3 18,-0.2 258,-0.2 -0.302 50.3-148.8 -59.4 156.6 -29.5 20.5 63.4 133 141 A Q E -F 148 0B 58 15,-1.7 15,-2.3 256,-0.1 2,-0.3 -0.957 9.7-161.7-136.7 154.3 -30.3 16.9 64.4 134 142 A F E +F 147 0B 18 252,-1.4 2,-0.3 -2,-0.3 13,-0.2 -0.922 9.2 175.9-136.4 142.0 -30.1 13.7 62.5 135 143 A S E -F 146 0B 54 11,-1.6 11,-2.6 -2,-0.3 -2,-0.0 -0.971 31.2-108.3-150.5 152.7 -31.6 10.2 62.9 136 144 A T E +F 145 0B 72 -2,-0.3 2,-0.3 9,-0.2 9,-0.3 -0.331 39.2 175.0 -73.6 152.7 -31.6 7.0 61.0 137 145 A Y E +F 144 0B 29 7,-2.0 7,-4.0 2,-0.1 2,-0.2 -0.946 33.8 31.8-146.6 174.4 -34.7 5.8 59.2 138 146 A G S S+ 0 0 42 -2,-0.3 -90,-0.0 5,-0.2 -87,-0.0 -0.524 102.0 6.1 82.0-141.1 -36.0 3.1 57.0 139 147 A N > - 0 0 69 3,-0.5 3,-1.9 -2,-0.2 -2,-0.1 -0.701 60.2-139.5 -90.0 131.7 -34.7 -0.5 56.9 140 148 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.712 101.0 64.0 -62.9 -22.5 -32.2 -1.4 59.6 141 149 A E T 3 S+ 0 0 148 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.716 126.1 10.3 -73.5 -22.4 -30.2 -3.4 57.1 142 150 A N S < S- 0 0 66 -3,-1.9 -3,-0.5 2,-0.0 -1,-0.3 -0.532 91.1-158.6-148.0 80.5 -29.4 -0.2 55.1 143 151 A P - 0 0 55 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.199 5.3-140.9 -73.6 148.9 -30.5 2.6 57.1 144 152 A G E -F 137 0B 11 -7,-4.0 -7,-2.0 38,-0.1 2,-0.4 -0.514 15.2-131.2 -87.2 173.6 -31.3 6.1 55.7 145 153 A M E -F 136 0B 35 -9,-0.3 34,-0.4 -2,-0.2 35,-0.4 -0.978 19.4-166.0-130.6 119.4 -30.3 9.2 57.4 146 154 A S E -F 135 0B 15 -11,-2.6 -11,-1.6 -2,-0.4 2,-0.3 -0.710 3.0-162.1-103.8 156.9 -32.7 12.1 57.9 147 155 A M E -FG 134 177B 16 30,-2.6 30,-2.4 -2,-0.3 2,-0.4 -0.980 10.9-163.1-133.3 145.1 -32.0 15.7 59.0 148 156 A I E -F 133 0B 72 -15,-2.3 -15,-1.7 -2,-0.3 2,-0.2 -0.998 30.0-121.7-122.2 135.3 -33.9 18.6 60.4 149 157 A L - 0 0 16 -2,-0.4 -19,-0.1 26,-0.2 -17,-0.1 -0.550 26.8-127.9 -73.4 132.8 -32.4 22.0 60.2 150 158 A G > - 0 0 3 -21,-0.4 4,-2.8 -2,-0.2 -18,-0.2 -0.520 15.4-121.2 -81.5 151.0 -32.0 23.7 63.6 151 159 A P H > S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.873 113.7 48.3 -66.5 -32.2 -33.4 27.2 64.1 152 160 A Q H > S+ 0 0 73 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.895 110.1 51.2 -68.1 -44.8 -29.9 28.6 65.0 153 161 A F H >>S+ 0 0 10 -24,-0.2 4,-2.5 2,-0.2 5,-0.7 0.945 113.9 45.3 -54.9 -49.5 -28.3 26.9 62.0 154 162 A M H X>S+ 0 0 2 -4,-2.8 5,-3.0 3,-0.2 4,-1.2 0.931 116.1 45.8 -60.8 -47.9 -30.9 28.4 59.8 155 163 A A H <5S+ 0 0 26 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.911 126.7 26.6 -60.5 -45.9 -30.6 31.9 61.5 156 164 A L H <5S+ 0 0 66 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.695 132.8 28.9 -94.5 -24.9 -26.9 32.1 61.5 157 165 A K H <5S+ 0 0 45 -4,-2.5 52,-0.5 -5,-0.4 53,-0.4 0.597 129.4 22.8-123.4 -12.1 -25.7 29.9 58.6 158 166 A M T < - 0 0 48 77,-0.3 4,-1.6 -2,-0.2 -1,-0.1 -0.207 34.2-113.7 -60.1 158.2 -35.3 39.3 56.7 164 172 A V H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.776 118.2 63.7 -62.4 -26.5 -36.5 37.8 60.0 165 173 A E H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.905 102.6 46.9 -63.0 -43.4 -39.8 37.2 58.1 166 174 A D H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.904 111.5 49.8 -67.6 -39.6 -38.0 34.8 55.7 167 175 A L H X S+ 0 0 24 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.927 111.9 49.6 -64.0 -42.4 -36.3 33.0 58.5 168 176 A E H X S+ 0 0 11 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.911 108.7 51.5 -59.0 -48.7 -39.8 32.7 60.2 169 177 A L H >X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 3,-0.6 0.942 110.5 51.2 -51.2 -50.8 -41.4 31.4 57.0 170 178 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 3,-0.4 0.887 106.5 51.8 -56.4 -46.2 -38.6 28.8 56.9 171 179 A K H 3< S+ 0 0 87 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.776 111.9 48.5 -62.1 -27.0 -39.1 27.7 60.4 172 180 A M H << S+ 0 0 21 -4,-1.4 638,-0.2 -3,-0.6 -1,-0.2 0.748 122.5 31.4 -82.7 -20.5 -42.8 27.2 59.7 173 181 A L H < S+ 0 0 3 -4,-1.3 -132,-0.3 -3,-0.4 -2,-0.2 0.623 83.4 112.1-116.4 -20.6 -42.2 25.2 56.5 174 182 A T < - 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