==== 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 HYDROXYNITRILE LYASE 10-DEC-99 1DWO . COMPND 2 MOLECULE: HYDROXYNITRILE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MANIHOT ESCULENTA; . AUTHOR H.LAUBLE,S.FORSTER,B.MIEHLICH,H.WAJANT,F.EFFENBERGER . 520 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 11.7 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 . 38 7.3 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 . 141 27.1 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 2 1 3 0 4 4 2 0 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 5 3 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 0 186 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.8 42.9 19.4 153.9 2 -3 A I - 0 0 162 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.920 360.0-157.3-142.3 119.8 41.0 19.0 150.7 3 -2 A S - 0 0 118 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.739 6.1-157.9 -95.1 160.2 43.0 19.7 147.5 4 -1 A K + 0 0 141 -2,-0.3 2,-0.3 2,-0.0 255,-0.1 -0.990 13.8 179.8-136.3 137.8 41.2 20.7 144.2 5 1 A M - 0 0 154 -2,-0.3 2,-0.3 254,-0.1 251,-0.1 -0.981 15.3-170.9-137.2 138.1 42.5 20.4 140.5 6 2 A V - 0 0 22 -2,-0.3 2,-0.4 249,-0.3 253,-0.2 -0.894 19.1-139.0-130.8 147.6 40.1 21.6 137.8 7 3 A T - 0 0 95 -2,-0.3 2,-0.2 251,-0.1 28,-0.1 -0.933 31.0-175.7-109.4 145.9 40.1 21.4 133.9 8 4 A A - 0 0 13 -2,-0.4 28,-2.6 254,-0.1 2,-0.6 -0.740 31.5-114.8-131.1 173.0 38.9 24.5 132.2 9 5 A H E -a 36 0A 19 68,-0.4 70,-2.2 -2,-0.2 2,-0.4 -0.967 34.6-162.9-114.1 112.1 38.2 25.8 128.7 10 6 A F E -ab 37 79A 0 26,-2.5 28,-2.8 -2,-0.6 2,-0.6 -0.792 9.2-158.7 -94.9 135.0 40.7 28.6 127.9 11 7 A V E -ab 38 80A 0 68,-2.3 70,-2.8 -2,-0.4 2,-0.5 -0.976 15.7-153.9-111.2 116.8 40.0 31.1 125.0 12 8 A L E -ab 39 81A 0 26,-3.0 28,-1.6 -2,-0.6 2,-0.5 -0.812 9.1-167.4 -99.0 126.4 43.3 32.6 124.0 13 9 A I E -ab 40 82A 0 68,-3.0 70,-2.0 -2,-0.5 73,-0.2 -0.942 7.8-149.2-122.2 112.4 43.3 36.1 122.4 14 10 A H - 0 0 0 26,-0.6 2,-0.1 -2,-0.5 6,-0.1 -0.235 24.1-104.4 -60.9 169.4 46.3 37.6 120.7 15 11 A T > - 0 0 4 1,-0.2 3,-1.9 4,-0.2 27,-0.1 -0.394 53.8 -62.5 -94.6 173.6 47.1 41.3 120.5 16 12 A I T 3 S+ 0 0 9 1,-0.3 -1,-0.2 -2,-0.1 165,-0.2 -0.059 122.1 20.3 -55.1 145.5 46.7 43.7 117.5 17 13 A C T 3 S+ 0 0 0 163,-0.5 162,-2.6 1,-0.2 -1,-0.3 0.109 114.5 80.7 81.5 -18.5 48.8 42.8 114.4 18 14 A H < - 0 0 1 -3,-1.9 28,-0.6 160,-0.2 2,-0.3 -0.128 64.3-150.6-102.0-161.7 49.2 39.2 115.6 19 15 A G > - 0 0 0 26,-0.2 3,-2.2 -3,-0.1 4,-0.3 -0.894 43.5 -70.1-156.7-174.2 47.0 36.1 115.3 20 16 A A G > S+ 0 0 3 1,-0.3 3,-2.0 -2,-0.3 416,-0.1 0.768 114.5 81.6 -58.0 -29.6 46.0 32.9 117.0 21 17 A W G > S+ 0 0 0 1,-0.3 3,-2.0 414,-0.2 -1,-0.3 0.708 74.5 69.3 -49.5 -27.0 49.4 31.6 115.9 22 18 A I G < S+ 0 0 0 -3,-2.2 3,-0.5 1,-0.3 4,-0.3 0.767 97.6 56.5 -70.9 -15.8 51.3 33.3 118.9 23 19 A W G <> S+ 0 0 0 -3,-2.0 4,-2.9 -4,-0.3 -1,-0.3 0.332 72.0 111.3 -89.4 8.8 49.5 30.7 121.0 24 20 A H T <4 S+ 0 0 0 -3,-2.0 -1,-0.2 1,-0.2 407,-0.2 0.727 84.8 35.4 -63.6 -19.0 50.9 27.7 119.0 25 21 A K T > S+ 0 0 70 -3,-0.5 4,-1.6 218,-0.2 -1,-0.2 0.755 118.5 48.7 -97.9 -36.6 53.1 26.5 121.9 26 22 A L H > S+ 0 0 0 -4,-0.3 4,-2.8 217,-0.2 5,-0.3 0.950 103.8 62.2 -71.4 -36.2 50.9 27.4 124.9 27 23 A K H X S+ 0 0 22 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.928 108.3 40.8 -58.3 -51.2 47.8 25.7 123.2 28 24 A P H > S+ 0 0 9 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.916 112.9 55.2 -60.6 -37.6 49.4 22.2 123.2 29 25 A A H X S+ 0 0 4 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.935 110.9 45.5 -63.0 -42.1 50.9 22.6 126.7 30 26 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.2 3,-0.8 0.917 110.9 52.2 -67.5 -37.3 47.5 23.4 128.1 31 27 A E H ><5S+ 0 0 71 -4,-2.1 3,-1.4 -5,-0.3 -1,-0.2 0.860 100.6 63.0 -70.8 -26.6 45.9 20.5 126.2 32 28 A R H 3<5S+ 0 0 141 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.828 100.8 52.8 -64.0 -29.2 48.6 18.3 127.7 33 29 A A T <<5S- 0 0 51 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.502 126.6-103.6 -80.2 -7.5 47.1 19.2 131.1 34 30 A G T < 5S+ 0 0 49 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.526 74.5 141.1 98.7 6.5 43.6 18.1 129.8 35 31 A H < - 0 0 8 -5,-2.0 2,-0.5 -28,-0.1 -1,-0.3 -0.408 53.6-124.0 -77.6 158.8 42.2 21.6 129.3 36 32 A K E -a 9 0A 121 -28,-2.6 -26,-2.5 -2,-0.1 2,-0.4 -0.881 33.9-167.0 -94.4 135.1 40.1 22.6 126.3 37 33 A V E -a 10 0A 2 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.989 15.9-173.4-129.6 134.7 41.7 25.5 124.4 38 34 A T E -a 11 0A 23 -28,-2.8 -26,-3.0 -2,-0.4 2,-0.5 -0.993 5.4-169.2-120.0 133.3 40.2 27.8 121.8 39 35 A A E -a 12 0A 25 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.981 13.7-163.9-127.6 114.8 42.6 30.3 120.1 40 36 A L E -a 13 0A 32 -28,-1.6 -26,-0.6 -2,-0.5 2,-0.5 -0.736 18.9-136.1-105.4 143.4 40.8 32.8 117.9 41 37 A D - 0 0 28 -2,-0.3 3,-0.1 -22,-0.1 -22,-0.1 -0.838 27.5-139.7 -87.5 136.0 41.9 35.2 115.3 42 38 A M > - 0 0 0 -2,-0.5 3,-1.7 1,-0.2 6,-0.2 -0.344 46.8 -57.3 -89.1 177.3 40.3 38.7 115.8 43 39 A A T 3 S+ 0 0 0 18,-2.2 -1,-0.2 1,-0.3 3,-0.1 -0.203 125.1 1.4 -55.4 141.9 39.1 40.7 112.8 44 40 A A T 3 S+ 0 0 1 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.674 111.0 109.1 51.6 26.2 41.9 41.3 110.2 45 41 A S S X S- 0 0 1 -3,-1.7 3,-2.2 6,-0.1 -26,-0.2 -0.918 75.9 -7.9-127.5 156.3 44.4 39.4 112.2 46 42 A G T 3 S- 0 0 1 -28,-0.6 390,-0.1 -2,-0.3 -27,-0.1 -0.425 132.6 -26.7 56.8-128.7 46.1 36.0 111.6 47 43 A I T 3 S+ 0 0 45 388,-0.4 -1,-0.3 -2,-0.1 -28,-0.1 0.052 96.3 137.7-104.1 23.5 44.4 34.4 108.6 48 44 A D < - 0 0 23 -3,-2.2 -6,-0.1 -6,-0.2 -5,-0.0 -0.579 55.5-135.2 -66.5 136.3 41.1 36.3 109.2 49 45 A P S S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.588 73.2 94.7 -77.4 -16.1 40.0 37.4 105.7 50 46 A R S S- 0 0 56 -5,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.478 70.1-132.8 -72.8 156.3 39.0 40.9 106.5 51 47 A Q > - 0 0 59 -2,-0.1 3,-1.8 1,-0.1 4,-0.2 -0.785 22.9-115.1-102.1 153.8 41.5 43.8 106.0 52 48 A I G > S+ 0 0 4 -2,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.827 110.2 66.4 -60.9 -26.6 42.0 46.4 108.8 53 49 A E G 3 S+ 0 0 84 1,-0.3 -1,-0.3 86,-0.1 88,-0.0 0.649 97.3 56.0 -71.1 -11.6 40.6 49.3 106.8 54 50 A Q G < S+ 0 0 111 -3,-1.8 2,-0.4 88,-0.1 -1,-0.3 0.381 92.2 87.1 -92.0 -0.5 37.1 47.6 106.8 55 51 A I < - 0 0 1 -3,-2.3 3,-0.1 -4,-0.2 6,-0.0 -0.841 54.4-174.6-106.2 136.5 37.2 47.5 110.7 56 52 A N + 0 0 23 -2,-0.4 2,-0.3 1,-0.2 88,-0.1 0.679 58.0 8.4-114.8 -9.4 35.8 50.5 112.5 57 53 A S S > S- 0 0 25 1,-0.0 4,-2.4 130,-0.0 -1,-0.2 -0.952 73.6-102.4-156.1 168.6 36.3 50.1 116.2 58 54 A F H > S+ 0 0 1 -2,-0.3 4,-1.2 126,-0.2 5,-0.1 0.806 122.7 56.4 -65.2 -31.1 38.0 47.9 118.8 59 55 A D H 4 S+ 0 0 34 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.918 107.5 45.3 -65.2 -46.9 34.5 46.4 119.4 60 56 A E H >4 S+ 0 0 71 1,-0.2 3,-1.9 2,-0.2 -2,-0.2 0.913 110.6 55.3 -61.4 -42.2 34.1 45.4 115.8 61 57 A Y H 3< S+ 0 0 2 -4,-2.4 -18,-2.2 1,-0.3 -1,-0.2 0.840 103.9 55.8 -55.5 -33.4 37.7 44.1 115.9 62 58 A S T >X S+ 0 0 0 -4,-1.2 4,-1.6 1,-0.2 3,-1.2 0.446 74.0 112.1 -82.8 0.5 36.6 41.9 118.8 63 59 A E H <> + 0 0 62 -3,-1.9 4,-2.7 1,-0.2 5,-0.3 0.851 69.8 57.3 -47.5 -46.0 33.7 40.3 116.8 64 60 A P H 3> S+ 0 0 17 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.861 108.9 47.1 -56.3 -36.6 35.3 36.7 116.6 65 61 A L H <> S+ 0 0 0 -3,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.928 113.6 46.5 -66.5 -46.1 35.4 36.6 120.4 66 62 A L H X S+ 0 0 24 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.900 112.3 50.1 -68.4 -42.1 31.9 37.8 120.9 67 63 A T H X S+ 0 0 52 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.930 111.7 49.2 -56.4 -50.3 30.5 35.4 118.2 68 64 A F H X S+ 0 0 40 -4,-2.0 4,-0.6 -5,-0.3 3,-0.3 0.939 113.2 46.1 -57.1 -50.4 32.3 32.6 119.9 69 65 A L H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.931 108.1 56.7 -64.2 -39.0 30.9 33.6 123.4 70 66 A E H 3< S+ 0 0 115 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.889 109.6 48.0 -52.7 -37.2 27.4 34.0 121.9 71 67 A K H 3< S+ 0 0 154 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.564 82.5 117.2 -84.1 -6.0 27.7 30.4 120.8 72 68 A L S << S- 0 0 12 -3,-1.6 3,-0.1 -4,-0.6 4,-0.1 -0.413 72.1-106.3 -64.4 134.1 28.9 29.0 124.1 73 69 A P > - 0 0 70 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.113 48.5 -72.0 -50.9 151.1 26.4 26.4 125.6 74 70 A Q T 3 S+ 0 0 181 1,-0.3 3,-0.1 3,-0.0 26,-0.0 -0.229 118.7 2.4 -43.3 121.2 24.2 27.1 128.5 75 71 A G T 3 S+ 0 0 76 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.615 93.4 131.8 71.7 9.9 26.2 27.2 131.7 76 72 A E < - 0 0 80 -3,-2.4 2,-0.3 -4,-0.1 -1,-0.3 -0.783 37.6-167.8 -86.5 139.3 29.6 26.7 130.0 77 73 A K - 0 0 112 -2,-0.4 -68,-0.4 -3,-0.1 2,-0.3 -0.965 4.2-160.3-129.8 150.9 32.2 29.2 131.2 78 74 A V E - c 0 101A 1 22,-2.7 24,-2.4 -2,-0.3 25,-0.8 -0.864 20.0-129.4-124.5 157.3 35.6 30.1 129.8 79 75 A I E -bc 10 103A 1 -70,-2.2 -68,-2.3 -2,-0.3 2,-0.5 -0.965 27.7-146.8-102.8 120.6 38.8 31.7 131.1 80 76 A I E -bc 11 104A 0 23,-2.0 25,-3.1 -2,-0.6 2,-0.5 -0.824 11.4-164.8 -91.8 122.9 39.8 34.4 128.5 81 77 A V E -bc 12 105A 0 -70,-2.8 -68,-3.0 -2,-0.5 2,-0.4 -0.967 10.7-177.2-109.1 118.6 43.6 34.8 128.4 82 78 A G E -bc 13 106A 0 23,-2.8 25,-2.8 -2,-0.5 2,-0.3 -0.961 12.4-152.3-123.8 129.1 44.6 38.0 126.6 83 79 A E E > - c 0 107A 0 -70,-2.0 3,-2.7 -2,-0.4 25,-0.2 -0.703 60.3 -31.6 -94.7 149.8 48.1 39.2 125.8 84 80 A S E > S+ c 0 109A 9 23,-1.4 26,-2.6 24,-0.7 3,-1.2 -0.145 136.7 7.9 52.1-120.8 49.2 42.8 125.4 85 81 A C T > S+ 0 0 3 1,-0.3 3,-1.7 24,-0.2 4,-0.5 0.633 109.2 90.7 -72.0 -5.6 46.3 45.0 123.9 86 82 A A T X> + 0 0 0 -3,-2.7 4,-2.0 1,-0.3 3,-0.5 0.667 61.8 81.7 -68.1 -8.0 43.9 42.0 124.3 87 83 A G H <> S+ 0 0 0 -3,-1.2 4,-2.5 1,-0.2 -1,-0.3 0.837 90.4 56.7 -58.9 -29.1 42.9 43.2 127.9 88 84 A L H <> S+ 0 0 0 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.852 103.4 50.9 -69.5 -33.6 40.5 45.5 125.9 89 85 A N H <> S+ 0 0 0 -3,-0.5 4,-2.6 -4,-0.5 -2,-0.2 0.909 109.9 50.6 -69.1 -40.2 38.9 42.5 124.1 90 86 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.964 111.4 48.4 -63.1 -48.3 38.4 40.9 127.6 91 87 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 108,-0.2 0.898 113.1 46.8 -59.2 -41.4 36.8 44.1 128.8 92 88 A I H < S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.2 3,-0.3 0.938 114.4 47.7 -61.9 -44.8 34.5 44.3 125.7 93 89 A A H >X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 3,-1.4 0.886 107.8 55.1 -66.7 -39.9 33.5 40.7 126.0 94 90 A A H 3X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.3 -1,-0.2 0.751 101.4 57.9 -71.7 -23.9 32.8 40.9 129.7 95 91 A D H 3< S+ 0 0 37 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.567 118.7 32.4 -81.9 -1.7 30.3 43.7 129.2 96 92 A R H <4 S+ 0 0 97 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.1 0.658 134.4 23.1-117.1 -29.4 28.3 41.5 126.9 97 93 A Y H >< + 0 0 28 -4,-2.7 3,-2.4 -5,-0.1 4,-0.4 -0.172 62.1 143.9-134.6 45.8 28.9 38.0 128.4 98 94 A V G >< S+ 0 0 31 -4,-0.7 3,-2.1 1,-0.3 -1,-0.1 0.941 75.3 65.5 -50.5 -40.8 29.8 38.4 132.1 99 95 A D G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.657 101.6 45.5 -42.0 -34.2 27.8 35.1 132.5 100 96 A K G < S+ 0 0 27 -3,-2.4 -22,-2.7 -23,-0.1 2,-0.6 0.387 92.4 90.4-106.2 4.8 30.2 33.1 130.5 101 97 A I E < -c 78 0A 6 -3,-2.1 102,-0.2 -4,-0.4 -22,-0.2 -0.914 42.0-179.4-114.2 116.2 33.5 34.2 131.9 102 98 A A E S- 0 0 12 -24,-2.4 101,-0.5 -2,-0.6 2,-0.3 0.894 77.3 -23.1 -73.1 -46.4 35.0 32.3 134.9 103 99 A A E -cd 79 203A 0 -25,-0.8 -23,-2.0 99,-0.1 2,-0.4 -0.983 55.1-128.8-157.2 160.6 38.1 34.8 134.9 104 100 A G E -cd 80 204A 0 99,-2.6 101,-2.3 -2,-0.3 2,-0.5 -0.958 22.5-157.9-109.2 131.2 40.0 37.1 132.6 105 101 A V E -cd 81 205A 0 -25,-3.1 -23,-2.8 -2,-0.4 2,-0.6 -0.967 2.6-154.7-113.4 127.9 43.8 36.5 132.6 106 102 A F E -cd 82 206A 0 99,-2.9 101,-3.2 -2,-0.5 2,-0.7 -0.897 7.0-165.7-105.8 118.6 45.9 39.5 131.5 107 103 A H E S-cd 83 207A 0 -25,-2.8 -23,-1.4 -2,-0.6 101,-0.2 -0.887 77.5 -34.7-112.1 94.8 49.2 38.3 130.1 108 104 A N E S+ 0 0 0 99,-2.7 -24,-0.7 -2,-0.7 2,-0.3 0.947 115.8 150.8 52.4 49.8 51.6 41.3 129.8 109 105 A S E -c 84 0A 0 98,-0.3 -1,-0.2 -26,-0.2 -24,-0.2 -0.807 61.7 -95.8-123.4 154.4 48.4 43.0 129.0 110 106 A L - 0 0 0 -26,-2.6 -3,-0.1 -2,-0.3 -28,-0.1 -0.454 35.8-153.0 -56.1 134.2 46.6 46.2 129.2 111 107 A L - 0 0 0 -2,-0.1 -1,-0.1 -5,-0.1 -23,-0.1 -0.837 14.8-160.4-118.5 86.0 44.4 46.1 132.3 112 108 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 7,-0.0 -0.171 3.8-156.2 -56.4 161.5 41.3 48.4 131.6 113 109 A D - 0 0 1 4,-0.2 81,-0.6 3,-0.1 7,-0.1 -0.727 21.9-126.5-130.1-176.5 39.2 49.8 134.4 114 110 A T S S+ 0 0 13 -2,-0.2 82,-0.1 79,-0.1 79,-0.1 0.566 99.1 65.8-106.7 -18.3 35.6 51.1 134.7 115 111 A V S S+ 0 0 85 2,-0.1 2,-0.2 80,-0.1 -1,-0.1 0.789 103.2 41.1 -78.6 -26.1 36.4 54.4 136.3 116 112 A H S S- 0 0 57 1,-0.2 78,-0.4 2,-0.0 -3,-0.1 -0.547 101.4 -69.9-115.5-177.6 38.2 56.0 133.3 117 113 A S > - 0 0 35 -2,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.366 45.0-114.9 -62.3 149.1 37.8 56.0 129.5 118 114 A P T 3 S+ 0 0 1 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.812 118.5 57.5 -51.1 -31.1 38.5 52.7 127.6 119 115 A S T >> S+ 0 0 1 69,-0.5 4,-2.5 1,-0.2 3,-0.5 0.612 80.2 96.6 -78.1 -6.1 41.4 54.5 126.0 120 116 A Y H <> S+ 0 0 46 -3,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.850 83.3 42.6 -57.1 -45.2 43.0 55.3 129.3 121 117 A T H 3> S+ 0 0 1 -3,-0.5 4,-2.1 -4,-0.3 -1,-0.3 0.790 111.7 57.0 -76.3 -21.5 45.5 52.5 129.6 122 118 A V H <> S+ 0 0 0 -3,-0.5 4,-2.7 -4,-0.3 -2,-0.2 0.939 107.1 48.9 -68.7 -48.1 46.4 52.9 125.9 123 119 A E H X S+ 0 0 68 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.968 114.0 45.8 -49.7 -54.0 47.3 56.6 126.7 124 120 A K H X S+ 0 0 53 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.871 109.7 54.8 -61.0 -36.6 49.4 55.5 129.7 125 121 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.947 110.9 46.2 -60.8 -46.5 51.0 52.7 127.6 126 122 A L H < S+ 0 0 44 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.828 109.1 53.3 -73.9 -29.6 52.0 55.3 125.0 127 123 A E H < S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 115.1 42.7 -60.7 -46.1 53.3 57.7 127.7 128 124 A S H < S+ 0 0 28 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.865 131.7 22.1 -67.1 -43.7 55.5 54.9 129.0 129 125 A F S < S+ 0 0 23 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.780 71.8 158.1-128.8 85.9 56.6 53.6 125.6 130 126 A P + 0 0 98 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.671 57.3 67.3 -88.8 -16.4 56.2 56.5 123.1 131 127 A D - 0 0 111 1,-0.1 3,-0.1 -5,-0.0 0, 0.0 -0.866 51.0-176.8-114.6 115.0 58.6 55.4 120.5 132 128 A W > - 0 0 19 -2,-0.7 3,-1.9 1,-0.3 22,-0.5 0.045 34.4-145.1 -98.8 33.0 57.8 52.2 118.4 133 129 A R T 3 S+ 0 0 97 1,-0.3 -1,-0.3 23,-0.1 20,-0.0 -0.248 75.3 6.3 53.1-113.4 61.1 52.5 116.6 134 130 A D T 3 S+ 0 0 64 -3,-0.1 -1,-0.3 -2,-0.1 21,-0.2 0.245 94.2 132.4 -83.8 15.6 60.9 51.3 113.0 135 131 A T < - 0 0 12 -3,-1.9 2,-0.4 19,-0.2 18,-0.2 -0.405 49.0-140.8 -64.7 140.3 57.0 50.9 113.2 136 132 A E E -F 152 0B 111 16,-2.5 16,-2.4 -2,-0.1 2,-0.3 -0.882 11.6-150.7-106.0 145.9 55.2 52.5 110.2 137 133 A Y E +F 151 0B 120 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.789 17.5 170.3-119.1 147.9 51.9 54.3 110.6 138 134 A F E -F 150 0B 71 12,-2.3 12,-2.5 -2,-0.3 2,-0.3 -0.887 14.8-147.5-144.5 167.4 49.0 54.7 108.1 139 135 A T E +F 149 0B 90 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.970 13.4 178.7-139.0 162.4 45.4 56.0 108.3 140 136 A F E -F 148 0B 24 8,-1.5 8,-3.1 -2,-0.3 2,-0.5 -0.936 34.8-111.2-147.1 163.5 42.0 55.5 106.8 141 137 A T E -F 147 0B 98 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.899 36.8-142.9-100.7 125.7 38.7 57.2 107.5 142 138 A N > - 0 0 14 4,-2.7 3,-2.8 -2,-0.5 -86,-0.1 -0.276 35.8 -74.2 -83.2-173.9 36.2 54.8 109.2 143 139 A I T 3 S+ 0 0 136 1,-0.3 -1,-0.1 2,-0.2 -87,-0.0 0.583 130.5 34.9 -59.6 -18.6 32.4 54.5 108.8 144 140 A T T 3 S- 0 0 106 -88,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.115 125.4 -91.0-123.8 19.3 31.5 57.7 110.7 145 141 A G S < S+ 0 0 46 -3,-2.8 2,-0.2 1,-0.3 -2,-0.2 0.495 74.3 146.2 91.2 2.5 34.4 59.7 109.6 146 142 A E - 0 0 54 -90,-0.1 -4,-2.7 1,-0.1 2,-0.5 -0.566 51.2-121.0 -70.3 141.1 37.0 59.1 112.4 147 143 A T E -F 141 0B 74 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.693 30.7-160.1 -80.8 123.5 40.7 59.0 111.4 148 144 A I E -F 140 0B 0 -8,-3.1 -8,-1.5 -2,-0.5 2,-0.5 -0.897 6.0-146.4-111.2 132.3 42.0 55.6 112.3 149 145 A T E -F 139 0B 67 -2,-0.5 34,-0.6 -10,-0.2 35,-0.6 -0.879 18.4-176.3-100.1 126.0 45.7 55.0 112.7 150 146 A T E -FG 138 182B 0 -12,-2.5 -12,-2.3 -2,-0.5 2,-0.3 -0.756 6.4-156.4-114.4 164.6 47.0 51.6 111.7 151 147 A M E -FG 137 181B 6 30,-2.1 30,-1.9 -2,-0.3 2,-0.6 -0.987 21.4-149.2-144.7 153.0 50.6 50.3 112.0 152 148 A K E -F 136 0B 70 -16,-2.4 -16,-2.5 -2,-0.3 28,-0.1 -0.991 41.1-125.2-120.1 106.7 52.9 47.8 110.5 153 149 A L - 0 0 12 -2,-0.6 2,-0.1 26,-0.4 -18,-0.1 -0.341 26.4-114.0 -59.7 136.2 55.2 46.9 113.5 154 150 A G > - 0 0 6 -22,-0.5 4,-2.8 1,-0.1 -19,-0.2 -0.415 12.1-126.8 -77.3 152.6 58.8 47.3 112.7 155 151 A F H > S+ 0 0 103 -21,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.787 110.0 49.2 -69.5 -28.1 61.2 44.3 112.6 156 152 A V H >>S+ 0 0 61 2,-0.2 4,-3.1 3,-0.2 5,-0.6 0.925 111.9 49.0 -72.6 -44.6 63.7 45.8 115.1 157 153 A L H >>S+ 0 0 0 -25,-0.2 4,-2.3 1,-0.2 5,-1.5 0.944 113.2 49.2 -58.6 -43.6 60.9 46.6 117.5 158 154 A L H X>S+ 0 0 0 -4,-2.8 5,-3.2 3,-0.2 4,-0.6 0.970 116.0 42.3 -58.7 -50.9 59.7 43.0 116.9 159 155 A R H <5S+ 0 0 62 -4,-2.4 7,-0.3 1,-0.2 -2,-0.2 0.925 127.7 24.8 -63.4 -49.3 63.2 41.6 117.6 160 156 A E H <5S+ 0 0 99 -4,-3.1 -3,-0.2 -5,-0.1 -1,-0.2 0.780 130.6 31.0 -93.8 -31.9 64.3 43.6 120.5 161 157 A N H < - 0 0 91 1,-0.1 4,-2.7 -2,-0.1 3,-0.3 -0.249 31.7-114.3 -55.2 151.0 64.0 31.6 119.3 168 164 A D H > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.890 119.2 54.0 -55.1 -41.3 65.1 32.5 115.8 169 165 A G H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.809 110.1 47.7 -66.0 -28.9 62.3 30.3 114.5 170 166 A E H > S+ 0 0 15 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.914 112.6 45.7 -79.8 -42.3 59.8 32.1 116.5 171 167 A Y H X S+ 0 0 31 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.917 114.3 49.7 -63.9 -44.1 60.9 35.6 115.6 172 168 A E H X S+ 0 0 10 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.942 108.1 53.4 -61.8 -42.8 61.1 34.5 111.9 173 169 A L H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.939 106.7 54.3 -52.6 -46.5 57.6 33.1 112.2 174 170 A A H >X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 3,-0.6 0.912 107.6 48.3 -59.0 -42.2 56.4 36.5 113.5 175 171 A K H 3< S+ 0 0 44 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 108.8 55.9 -65.7 -33.4 57.9 38.3 110.5 176 172 A M H 3< S+ 0 0 15 -4,-2.0 130,-0.4 1,-0.2 104,-0.3 0.675 122.9 21.6 -71.9 -22.7 56.1 35.8 108.2 177 173 A V H << S+ 0 0 1 -4,-1.1 -131,-0.3 -3,-0.6 -2,-0.2 0.447 85.0 124.6-129.1 4.8 52.6 36.3 109.5 178 174 A M < - 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