==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-JUL-01 1EB8 . COMPND 2 MOLECULE: (S)-ACETONE-CYANOHYDRIN LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MANIHOT ESCULENTA; . AUTHOR H.LAUBLE,B.MIEHLICH,S.FOERSTER,C.KOBLER,H.WAJANT, . 520 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 3.7 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 35 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 4 0 4 2 0 4 4 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 6 2 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 1 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 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 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 P 0 0 176 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.4 43.3 19.2 153.5 2 -3 A I - 0 0 161 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.925 360.0-156.1-138.1 132.9 41.2 18.9 150.4 3 -2 A S - 0 0 115 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.916 6.3-157.1-110.5 142.9 43.2 19.5 147.2 4 -1 A K - 0 0 145 -2,-0.4 2,-0.4 2,-0.0 255,-0.1 -0.953 11.9-177.6-122.3 139.3 41.4 20.6 144.0 5 1 A M - 0 0 154 -2,-0.4 2,-0.4 254,-0.1 251,-0.1 -0.958 13.1-168.5-136.4 130.2 42.5 20.2 140.3 6 2 A V - 0 0 22 -2,-0.4 2,-0.4 249,-0.3 253,-0.2 -0.906 17.3-145.7-125.2 137.4 40.3 21.7 137.6 7 3 A T - 0 0 83 -2,-0.4 2,-0.3 251,-0.1 28,-0.1 -0.816 32.4-175.1 -96.6 145.4 40.3 21.3 133.7 8 4 A A - 0 0 6 -2,-0.4 28,-2.5 254,-0.1 2,-0.6 -0.848 31.8-116.1-140.2 168.8 39.2 24.5 132.0 9 5 A H E -a 36 0A 21 68,-0.4 70,-2.3 -2,-0.3 2,-0.4 -0.946 33.6-166.8-110.1 106.1 38.4 26.1 128.6 10 6 A F E -ab 37 79A 0 26,-2.4 28,-2.5 -2,-0.6 2,-0.5 -0.768 10.9-158.9 -94.3 138.3 40.9 28.9 127.8 11 7 A V E -ab 38 80A 0 68,-2.5 70,-3.0 -2,-0.4 2,-0.5 -0.989 16.3-153.2-114.1 115.6 40.2 31.3 125.0 12 8 A L E -ab 39 81A 0 26,-3.0 28,-1.4 -2,-0.5 2,-0.5 -0.804 8.7-165.9 -97.8 124.8 43.6 32.8 124.0 13 9 A I E -ab 40 82A 0 68,-3.3 70,-2.0 -2,-0.5 73,-0.2 -0.928 7.5-149.0-120.4 113.6 43.6 36.3 122.4 14 10 A H - 0 0 0 26,-0.6 2,-0.1 -2,-0.5 6,-0.1 -0.300 24.1-105.0 -62.9 169.5 46.6 37.8 120.6 15 11 A T > - 0 0 3 1,-0.2 3,-1.7 4,-0.2 27,-0.1 -0.406 53.4 -64.0 -95.0 171.9 47.6 41.5 120.5 16 12 A I T 3 S+ 0 0 12 1,-0.3 165,-0.2 -2,-0.1 -1,-0.2 -0.089 122.9 19.7 -58.1 145.2 47.1 43.9 117.5 17 13 A C T 3 S+ 0 0 0 163,-0.6 162,-3.2 1,-0.2 -1,-0.3 0.113 114.7 81.0 82.6 -22.9 49.2 43.0 114.4 18 14 A H < - 0 0 1 -3,-1.7 28,-0.7 160,-0.2 -1,-0.2 -0.186 64.3-153.9 -97.4-164.0 49.7 39.4 115.6 19 15 A G > - 0 0 0 26,-0.2 3,-2.1 -3,-0.1 4,-0.3 -0.881 45.1 -67.9-157.6-178.9 47.2 36.4 115.3 20 16 A A G > S+ 0 0 4 1,-0.3 3,-2.3 -2,-0.2 416,-0.1 0.798 116.4 81.1 -49.1 -30.0 46.3 33.0 117.0 21 17 A W G > S+ 0 0 0 1,-0.3 3,-1.7 414,-0.2 -1,-0.3 0.703 74.8 70.0 -52.5 -25.0 49.7 31.8 115.8 22 18 A I G X S+ 0 0 0 -3,-2.1 3,-0.5 1,-0.3 4,-0.3 0.833 96.8 54.5 -69.1 -20.4 51.5 33.4 118.8 23 19 A W G <> S+ 0 0 0 -3,-2.3 4,-2.8 -4,-0.3 -1,-0.3 0.307 72.2 112.7 -94.1 16.5 49.9 30.8 121.0 24 20 A H G <4 S+ 0 0 0 -3,-1.7 -1,-0.2 1,-0.2 407,-0.2 0.684 83.9 37.9 -70.0 -15.9 51.2 27.8 119.0 25 21 A K T <> S+ 0 0 63 -3,-0.5 4,-1.4 218,-0.2 -1,-0.2 0.778 118.1 46.9 -97.1 -41.9 53.5 26.7 121.8 26 22 A L H > S+ 0 0 0 -4,-0.3 4,-2.6 217,-0.2 5,-0.2 0.916 102.7 63.3 -71.2 -33.7 51.1 27.4 124.8 27 23 A K H X S+ 0 0 22 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.948 108.3 41.2 -58.4 -50.9 48.0 25.8 123.3 28 24 A P H > S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.879 111.9 55.5 -59.5 -38.0 49.6 22.3 123.2 29 25 A A H X S+ 0 0 4 -4,-1.4 4,-1.0 1,-0.2 -2,-0.2 0.919 111.8 45.1 -61.0 -40.4 51.2 22.7 126.6 30 26 A L H <>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 3,-0.4 0.903 111.5 50.7 -72.7 -38.8 47.7 23.5 128.0 31 27 A E H ><5S+ 0 0 71 -4,-2.3 3,-1.8 -5,-0.2 -1,-0.2 0.809 101.2 63.2 -69.3 -26.8 46.1 20.6 126.1 32 28 A R H 3<5S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.892 102.1 52.4 -60.7 -34.5 48.8 18.3 127.6 33 29 A A T 3<5S- 0 0 50 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.401 127.7-104.4 -78.0 -1.6 47.3 19.2 130.9 34 30 A G T < 5S+ 0 0 42 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.559 73.4 139.5 90.4 4.7 43.8 18.2 129.6 35 31 A H < - 0 0 8 -5,-2.0 2,-0.4 -28,-0.1 -1,-0.3 -0.435 54.5-122.7 -80.1 161.5 42.4 21.8 129.1 36 32 A K E -a 9 0A 100 -28,-2.5 -26,-2.4 -2,-0.1 2,-0.4 -0.869 34.0-165.9 -94.7 137.8 40.2 22.8 126.1 37 33 A V E -a 10 0A 15 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.997 16.4-174.2-135.2 125.4 41.9 25.7 124.2 38 34 A T E -a 11 0A 32 -28,-2.5 -26,-3.0 -2,-0.4 2,-0.5 -0.981 4.9-172.2-111.2 126.1 40.4 28.1 121.6 39 35 A A E -a 12 0A 24 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.977 14.4-167.6-118.6 117.7 43.0 30.5 120.0 40 36 A L E -a 13 0A 30 -28,-1.4 -26,-0.6 -2,-0.5 2,-0.4 -0.739 21.1-133.5-107.0 148.4 41.1 33.0 117.8 41 37 A D - 0 0 28 -2,-0.3 3,-0.1 -22,-0.2 -22,-0.1 -0.871 29.1-137.1 -91.9 139.7 42.4 35.5 115.2 42 38 A M > - 0 0 0 -2,-0.4 3,-1.6 1,-0.2 6,-0.2 -0.394 46.9 -57.6 -89.2 174.1 40.7 38.9 115.8 43 39 A A T 3 S+ 0 0 0 18,-2.3 -1,-0.2 1,-0.3 3,-0.1 -0.094 125.9 3.4 -53.6 144.1 39.4 40.9 112.8 44 40 A A T 3 S+ 0 0 1 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.683 110.5 110.4 49.0 30.6 42.2 41.7 110.3 45 41 A S S X S- 0 0 1 -3,-1.6 3,-2.5 16,-0.1 -26,-0.2 -0.898 75.1 -10.0-131.4 158.0 44.8 39.7 112.2 46 42 A G T 3 S- 0 0 0 -28,-0.7 390,-0.1 -2,-0.3 -27,-0.1 -0.372 133.0 -24.3 52.1-121.9 46.6 36.4 111.6 47 43 A I T 3 S+ 0 0 41 388,-0.4 -1,-0.3 390,-0.1 -3,-0.1 0.090 94.8 138.3-107.4 22.9 44.9 34.9 108.6 48 44 A D < - 0 0 23 -3,-2.5 -6,-0.1 -6,-0.2 -5,-0.0 -0.491 54.5-136.0 -66.4 135.1 41.6 36.7 109.0 49 45 A P S S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.651 73.6 97.5 -74.6 -17.3 40.5 37.8 105.5 50 46 A R S S- 0 0 70 -5,-0.1 2,-0.3 1,-0.0 -2,-0.0 -0.413 70.2-131.9 -73.4 152.4 39.4 41.3 106.5 51 47 A Q > - 0 0 52 1,-0.1 3,-2.2 -2,-0.1 4,-0.2 -0.816 19.7-118.4-104.6 151.7 41.8 44.3 106.1 52 48 A I G > S+ 0 0 6 -2,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.825 110.8 64.3 -62.1 -28.0 42.4 46.7 108.9 53 49 A E G 3 S+ 0 0 79 1,-0.3 -1,-0.3 86,-0.0 88,-0.0 0.657 97.3 56.2 -72.6 -12.4 41.0 49.6 106.8 54 50 A Q G < S+ 0 0 122 -3,-2.2 2,-0.3 88,-0.1 -1,-0.3 0.441 93.8 87.1 -90.7 -1.3 37.5 47.9 106.8 55 51 A I < - 0 0 7 -3,-2.3 3,-0.1 -4,-0.2 88,-0.0 -0.764 53.9-175.4-106.1 139.2 37.6 47.8 110.7 56 52 A N + 0 0 19 -2,-0.3 2,-0.3 1,-0.3 88,-0.1 0.497 58.1 9.1-119.2 -1.2 36.3 50.8 112.6 57 53 A S S > S- 0 0 19 1,-0.1 4,-2.1 130,-0.0 -1,-0.3 -0.950 73.1-103.6-166.7 165.0 36.8 50.3 116.3 58 54 A F H > S+ 0 0 0 -2,-0.3 4,-1.6 126,-0.2 5,-0.1 0.769 122.9 59.8 -67.9 -27.7 38.5 48.0 118.8 59 55 A D H 4 S+ 0 0 32 2,-0.2 4,-0.3 1,-0.2 3,-0.2 0.955 106.2 43.9 -63.4 -47.7 35.0 46.7 119.4 60 56 A E H >4 S+ 0 0 79 1,-0.2 3,-1.6 2,-0.2 -17,-0.2 0.889 110.3 56.2 -64.7 -37.8 34.6 45.7 115.7 61 57 A Y H 3< S+ 0 0 3 -4,-2.1 -18,-2.3 1,-0.3 -1,-0.2 0.845 103.1 57.4 -57.4 -36.1 38.2 44.3 115.9 62 58 A S T >X S+ 0 0 0 -4,-1.6 4,-1.8 -3,-0.2 3,-1.1 0.472 73.2 110.0 -77.4 -1.8 36.9 42.1 118.8 63 59 A E H <> S+ 0 0 59 -3,-1.6 4,-2.6 -4,-0.3 5,-0.4 0.855 70.2 57.0 -46.5 -51.0 34.1 40.5 116.7 64 60 A P H 3> S+ 0 0 19 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.869 110.3 45.3 -53.1 -35.9 35.6 37.0 116.6 65 61 A L H <> S+ 0 0 0 -3,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.942 113.7 47.7 -73.5 -43.1 35.8 36.8 120.3 66 62 A L H X S+ 0 0 26 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.902 113.1 48.1 -67.8 -39.0 32.2 38.1 120.9 67 63 A T H X S+ 0 0 49 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.920 111.7 51.6 -61.6 -47.2 30.7 35.7 118.2 68 64 A F H >X S+ 0 0 42 -4,-2.1 4,-0.6 -5,-0.4 3,-0.5 0.953 112.1 45.4 -53.5 -52.2 32.6 32.9 119.8 69 65 A L H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.3 -2,-0.2 0.885 106.5 58.5 -65.8 -36.1 31.2 33.9 123.2 70 66 A E H 3< S+ 0 0 116 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.861 109.1 48.6 -56.8 -33.9 27.7 34.3 121.8 71 67 A K H << S+ 0 0 154 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.567 79.7 116.7 -88.0 -7.9 28.0 30.7 120.8 72 68 A L S << S- 0 0 13 -3,-1.2 3,-0.1 -4,-0.6 4,-0.1 -0.321 75.2-101.0 -58.8 136.4 29.2 29.1 124.0 73 69 A P > - 0 0 77 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 -0.203 47.0 -86.1 -53.1 147.5 26.7 26.5 125.4 74 70 A Q T 3 S+ 0 0 192 1,-0.3 3,-0.1 -3,-0.1 26,-0.0 -0.296 118.6 20.4 -54.5 130.4 24.5 27.5 128.2 75 71 A G T 3 S+ 0 0 73 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.404 95.0 121.6 86.4 -6.3 26.4 27.0 131.5 76 72 A E < - 0 0 67 -3,-2.5 2,-0.3 -4,-0.1 -1,-0.3 -0.722 39.1-175.2 -90.0 141.7 29.8 26.9 129.8 77 73 A K - 0 0 108 -2,-0.3 -68,-0.4 -3,-0.1 2,-0.3 -0.971 5.6-157.7-131.5 150.2 32.4 29.5 131.0 78 74 A V E - c 0 101A 1 22,-2.8 24,-3.1 -2,-0.3 25,-0.8 -0.834 20.2-127.8-125.7 159.5 35.9 30.2 129.7 79 75 A I E -bc 10 103A 1 -70,-2.3 -68,-2.5 -2,-0.3 2,-0.5 -0.966 29.5-148.8-100.9 120.7 39.1 31.9 131.1 80 76 A I E -bc 11 104A 0 23,-1.8 25,-2.8 -2,-0.5 2,-0.5 -0.868 10.6-165.5 -93.3 124.4 40.1 34.6 128.5 81 77 A V E -bc 12 105A 0 -70,-3.0 -68,-3.3 -2,-0.5 2,-0.4 -0.968 10.7-178.8-108.9 123.1 43.9 35.0 128.3 82 78 A G E -bc 13 106A 0 23,-2.7 25,-2.7 -2,-0.5 2,-0.3 -0.977 13.0-150.3-127.1 136.4 44.9 38.2 126.4 83 79 A E E > - c 0 107A 0 -70,-2.0 3,-2.8 -2,-0.4 25,-0.2 -0.763 59.4 -30.2-101.3 152.6 48.4 39.4 125.7 84 80 A S E > S+ c 0 109A 8 23,-1.3 26,-3.0 24,-0.5 3,-0.9 -0.157 138.1 9.3 43.7-109.5 49.6 43.1 125.4 85 81 A C T >> S+ 0 0 6 1,-0.2 3,-1.9 24,-0.2 4,-0.5 0.656 108.4 91.7 -76.6 -3.8 46.7 45.1 123.9 86 82 A A H <> + 0 0 0 -3,-2.8 4,-2.1 1,-0.3 3,-0.3 0.637 60.7 83.1 -71.4 -4.0 44.2 42.2 124.4 87 83 A G H <> S+ 0 0 0 -3,-0.9 4,-2.5 1,-0.2 -1,-0.3 0.863 89.2 55.5 -61.1 -30.1 43.2 43.4 127.8 88 84 A L H <> S+ 0 0 0 -3,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.848 104.1 52.6 -68.3 -33.4 40.8 45.8 125.9 89 85 A N H X S+ 0 0 1 -4,-0.5 4,-2.6 -3,-0.3 -2,-0.2 0.909 109.2 50.2 -66.2 -43.5 39.3 42.7 124.1 90 86 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.961 112.9 46.3 -62.3 -46.4 38.7 41.1 127.6 91 87 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 108,-0.3 0.938 113.7 47.3 -64.7 -40.3 37.1 44.3 128.8 92 88 A I H < S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.959 116.2 46.6 -61.3 -44.8 34.8 44.7 125.6 93 89 A A H >X S+ 0 0 1 -4,-2.6 4,-3.2 1,-0.2 3,-1.5 0.914 107.6 53.8 -66.1 -46.4 33.9 41.0 126.0 94 90 A A H 3X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.3 -1,-0.2 0.823 104.4 56.6 -64.0 -29.0 33.1 41.0 129.8 95 91 A D H 3< S+ 0 0 25 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.681 117.9 34.8 -76.0 -11.6 30.7 43.9 129.3 96 92 A R H <4 S+ 0 0 103 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.734 134.9 20.0-105.2 -32.4 28.8 41.8 126.8 97 93 A Y H >< + 0 0 40 -4,-3.2 3,-2.7 1,-0.1 4,-0.5 -0.086 65.1 150.8-132.6 43.0 29.2 38.3 128.3 98 94 A V G >< S+ 0 0 25 -4,-1.0 3,-1.4 1,-0.3 -1,-0.1 0.838 75.2 54.8 -47.5 -36.0 30.1 38.6 132.0 99 95 A D G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.606 103.5 54.4 -79.1 -5.7 28.4 35.2 132.9 100 96 A K G < S+ 0 0 45 -3,-2.7 -22,-2.8 -23,-0.1 2,-0.6 0.456 93.1 86.3 -98.5 1.4 30.4 33.3 130.4 101 97 A I E < -c 78 0A 6 -3,-1.4 -22,-0.2 -4,-0.5 102,-0.2 -0.879 48.0-178.7-109.3 119.2 33.8 34.5 131.8 102 98 A A E S- 0 0 14 -24,-3.1 101,-0.4 -2,-0.6 2,-0.3 0.831 74.7 -24.9 -77.5 -38.0 35.3 32.6 134.7 103 99 A A E -c 79 0A 0 -25,-0.8 -23,-1.8 99,-0.1 2,-0.4 -0.968 56.9-126.5-167.0 156.2 38.4 35.0 134.9 104 100 A G E -cd 80 204A 0 99,-2.5 101,-2.2 -2,-0.3 2,-0.5 -0.952 22.2-158.8-108.9 130.9 40.3 37.4 132.7 105 101 A V E -cd 81 205A 0 -25,-2.8 -23,-2.7 -2,-0.4 2,-0.6 -0.978 0.7-158.8-113.8 124.2 44.1 36.7 132.6 106 102 A F E -cd 82 206A 0 99,-2.7 101,-3.1 -2,-0.5 2,-0.7 -0.887 6.0-166.8-102.3 120.1 46.2 39.7 131.4 107 103 A H E S-cd 83 207A 0 -25,-2.7 -23,-1.3 -2,-0.6 101,-0.2 -0.897 78.5 -31.6-114.6 97.6 49.6 38.4 130.2 108 104 A N E S+ 0 0 1 99,-2.9 -24,-0.5 -2,-0.7 2,-0.3 0.938 117.0 150.1 51.3 45.5 52.1 41.5 129.8 109 105 A S E -c 84 0A 0 98,-0.4 -1,-0.2 -26,-0.2 -24,-0.2 -0.827 62.1 -95.8-120.1 152.3 48.8 43.2 129.0 110 106 A L - 0 0 0 -26,-3.0 -3,-0.1 -2,-0.3 -1,-0.1 -0.302 35.3-153.8 -51.2 134.6 46.9 46.4 129.1 111 107 A L - 0 0 0 -5,-0.1 -1,-0.1 -24,-0.0 -23,-0.1 -0.815 14.6-160.1-121.6 85.1 44.7 46.3 132.3 112 108 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 7,-0.1 -0.223 5.0-155.8 -56.8 153.8 41.7 48.6 131.5 113 109 A D - 0 0 5 4,-0.3 81,-0.6 3,-0.1 7,-0.1 -0.701 22.1-127.8-122.5-174.2 39.7 50.0 134.4 114 110 A T S S+ 0 0 9 -2,-0.2 82,-0.1 79,-0.1 -1,-0.1 0.687 99.2 66.3-102.6 -22.9 36.1 51.2 134.8 115 111 A V S S+ 0 0 101 78,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.833 103.0 40.0 -67.5 -36.1 37.0 54.6 136.4 116 112 A H S S- 0 0 57 1,-0.2 78,-0.4 2,-0.0 -3,-0.1 -0.601 102.1 -71.2-110.3 177.2 38.8 56.1 133.4 117 113 A S > - 0 0 34 -2,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.266 45.8-111.1 -58.6 151.5 38.2 56.2 129.7 118 114 A P T 3 S+ 0 0 2 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.815 118.7 54.6 -49.1 -32.4 38.8 52.9 127.8 119 115 A S T 3> S+ 0 0 1 69,-0.4 4,-2.5 1,-0.2 3,-0.3 0.568 80.5 96.1 -84.0 -6.5 41.8 54.7 126.1 120 116 A Y H <> S+ 0 0 44 -3,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.855 83.6 44.1 -56.5 -46.3 43.5 55.6 129.4 121 117 A T H > S+ 0 0 2 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.806 111.8 57.0 -72.9 -22.0 46.0 52.6 129.7 122 118 A V H > S+ 0 0 0 -4,-0.3 4,-2.7 -3,-0.3 5,-0.2 0.943 107.6 47.0 -69.4 -47.7 46.8 53.1 126.0 123 119 A E H X S+ 0 0 84 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.928 114.4 47.8 -53.7 -49.5 47.8 56.8 126.8 124 120 A K H X S+ 0 0 54 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.866 111.2 50.8 -61.3 -39.6 49.8 55.6 129.8 125 121 A L H X S+ 0 0 13 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.948 110.8 47.4 -62.8 -48.4 51.5 52.9 127.7 126 122 A L H < S+ 0 0 66 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.851 110.4 53.6 -67.6 -28.4 52.4 55.3 124.9 127 123 A E H < S+ 0 0 126 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.912 111.5 45.1 -68.0 -40.8 53.8 57.7 127.5 128 124 A S H < S+ 0 0 40 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.761 128.8 26.3 -74.7 -27.1 56.0 54.9 129.0 129 125 A F S < S+ 0 0 34 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.1 -0.724 71.1 158.2-135.3 81.5 57.2 53.7 125.6 130 126 A P + 0 0 107 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.638 56.9 70.6 -85.8 -12.0 57.0 56.7 123.2 131 127 A D - 0 0 111 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.869 51.5-177.2-110.8 111.3 59.5 55.5 120.6 132 128 A A > - 0 0 19 -2,-0.7 3,-2.3 1,-0.3 22,-0.5 0.117 31.3-148.0 -93.1 27.4 58.3 52.6 118.4 133 129 A R T 3 S+ 0 0 99 1,-0.3 -1,-0.3 24,-0.1 20,-0.0 -0.266 72.8 2.6 54.6-113.7 61.7 52.6 116.7 134 130 A D T 3 S+ 0 0 64 -3,-0.1 -1,-0.3 20,-0.1 21,-0.2 0.291 94.3 130.8 -89.5 7.3 61.3 51.4 113.1 135 131 A T < - 0 0 13 -3,-2.3 2,-0.4 19,-0.2 18,-0.2 -0.378 48.2-143.4 -58.6 139.8 57.5 51.0 113.2 136 132 A E E -F 152 0B 114 16,-1.9 16,-2.4 -2,-0.0 2,-0.3 -0.864 10.9-151.6-106.3 144.6 55.7 52.7 110.3 137 133 A Y E +F 151 0B 122 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.779 14.7 175.7-116.1 156.3 52.4 54.4 110.7 138 134 A F E -F 150 0B 69 12,-2.2 12,-2.8 -2,-0.3 2,-0.3 -0.935 14.9-139.9-148.5 172.7 49.5 55.0 108.3 139 135 A T E +F 149 0B 91 -2,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.956 15.7 174.9-136.8 148.4 46.1 56.4 108.4 140 136 A F E -F 148 0B 24 8,-1.7 8,-2.9 -2,-0.3 2,-0.4 -0.946 33.1-115.6-142.1 167.5 42.6 55.7 107.0 141 137 A T E -F 147 0B 97 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.890 34.6-142.2-102.6 131.4 39.2 57.4 107.6 142 138 A N > - 0 0 14 4,-2.6 3,-2.7 -2,-0.4 -86,-0.1 -0.302 36.0 -76.5 -89.4-176.5 36.6 55.2 109.2 143 139 A I T 3 S+ 0 0 131 1,-0.3 -1,-0.1 2,-0.1 -87,-0.0 0.616 132.1 37.6 -53.6 -21.6 32.8 54.8 108.7 144 140 A T T 3 S- 0 0 98 -88,-0.1 -1,-0.3 2,-0.1 -2,-0.0 -0.025 124.3 -93.8-116.4 23.5 32.1 58.0 110.7 145 141 A G S < S+ 0 0 50 -3,-2.7 2,-0.2 1,-0.2 -2,-0.1 0.595 76.6 141.8 77.3 6.1 35.1 60.2 109.5 146 142 A E - 0 0 58 -90,-0.1 -4,-2.6 1,-0.0 2,-0.5 -0.643 52.1-124.5 -76.9 143.3 37.6 59.4 112.4 147 143 A T E -F 141 0B 72 -2,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.763 24.9-156.1 -97.1 131.7 41.2 59.0 111.3 148 144 A I E -F 140 0B 0 -8,-2.9 -8,-1.7 -2,-0.5 2,-0.5 -0.907 4.9-145.1-107.7 131.3 42.6 55.8 112.3 149 145 A T E -F 139 0B 66 -2,-0.5 34,-0.5 -10,-0.2 35,-0.5 -0.853 19.3-173.9 -98.4 126.0 46.3 55.3 112.7 150 146 A T E -FG 138 182B 0 -12,-2.8 -12,-2.2 -2,-0.5 2,-0.3 -0.816 6.1-153.5-110.4 165.6 47.6 51.9 111.8 151 147 A M E -FG 137 181B 21 30,-2.0 30,-1.7 -2,-0.3 2,-0.6 -0.971 18.7-152.8-141.1 146.3 51.2 50.5 112.2 152 148 A K E -F 136 0B 61 -16,-2.4 -16,-1.9 -2,-0.3 28,-0.1 -0.979 40.2-125.4-111.5 105.8 53.4 48.0 110.6 153 149 A L - 0 0 21 -2,-0.6 2,-0.1 26,-0.4 -18,-0.1 -0.277 25.9-117.8 -56.8 130.5 55.7 47.0 113.5 154 150 A G > - 0 0 6 -22,-0.5 4,-2.7 1,-0.1 -19,-0.2 -0.411 13.8-121.9 -71.2 156.6 59.3 47.4 112.6 155 151 A F H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.795 110.0 49.7 -69.0 -32.4 61.7 44.5 112.6 156 152 A V H > S+ 0 0 61 2,-0.2 4,-3.3 3,-0.2 5,-0.5 0.925 111.3 49.0 -69.8 -46.1 64.2 45.9 115.1 157 153 A L H >>S+ 0 0 2 -25,-0.2 4,-2.6 2,-0.2 5,-1.7 0.943 113.5 49.3 -56.9 -44.1 61.4 46.7 117.6 158 154 A L H <>S+ 0 0 0 -4,-2.7 5,-3.1 3,-0.2 4,-0.4 0.973 116.0 42.6 -56.7 -51.6 60.2 43.1 116.9 159 155 A R H <5S+ 0 0 52 -4,-2.5 7,-0.2 1,-0.2 -2,-0.2 0.896 128.5 24.4 -58.9 -50.2 63.6 41.7 117.5 160 156 A E H <5S+ 0 0 103 -4,-3.3 -3,-0.2 -5,-0.1 -1,-0.2 0.774 130.0 30.1 -96.8 -29.5 64.6 43.7 120.5 161 157 A N T <5S+ 0 0 19 -4,-2.6 52,-0.5 -5,-0.5 79,-0.4 0.869 128.8 22.6-105.0 -41.3 61.5 44.8 122.2 162 158 A L T - 0 0 91 1,-0.1 4,-3.0 77,-0.1 3,-0.2 -0.259 31.0-111.2 -69.6 166.4 64.5 31.9 119.3 168 164 A D H > S+ 0 0 78 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.883 119.9 56.7 -66.3 -35.9 65.4 32.8 115.8 169 165 A G H > S+ 0 0 9 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.805 111.0 44.0 -62.7 -32.3 62.8 30.4 114.5 170 166 A E H > S+ 0 0 13 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.904 113.5 49.5 -81.1 -38.3 60.2 32.2 116.5 171 167 A Y H X S+ 0 0 26 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.919 112.7 47.8 -65.0 -45.8 61.4 35.7 115.6 172 168 A E H X S+ 0 0 10 -4,-3.0 4,-1.9 111,-0.2 -1,-0.2 0.932 109.6 54.0 -58.5 -43.1 61.4 34.7 111.8 173 169 A L H >X S+ 0 0 0 -4,-1.6 4,-1.5 110,-0.2 3,-0.5 0.949 105.6 52.3 -54.6 -52.0 57.9 33.3 112.1 174 170 A A H >X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.3 3,-0.9 0.943 110.2 49.1 -51.9 -47.1 56.6 36.6 113.6 175 171 A K H 3< S+ 0 0 41 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.831 109.0 54.0 -59.7 -34.6 58.1 38.4 110.6 176 172 A M H << S+ 0 0 21 -4,-1.9 130,-0.4 -3,-0.5 104,-0.3 0.725 122.9 24.2 -74.1 -24.9 56.5 35.9 108.2 177 173 A V H << S+ 0 0 1 -4,-1.5 -131,-0.2 -3,-0.9 -2,-0.2 0.407 83.7 127.3-125.2 7.1 53.0 36.4 109.6 178 174 A M < - 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