==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-10 3LC9 . COMPND 2 MOLECULE: RICIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR J.R.COMPTON,P.M.LEGLER,C.B.MILLARD . 173 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 13 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 1 0 1 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A Y 0 0 86 0, 0.0 42,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 149.1 9.4 13.4 44.3 2 7 A P - 0 0 60 0, 0.0 42,-2.7 0, 0.0 2,-0.5 -0.369 360.0-142.4 -61.0 135.2 10.5 17.0 43.7 3 8 A I E -a 44 0A 97 40,-0.2 2,-0.5 42,-0.1 42,-0.2 -0.923 12.9-167.3-107.5 127.5 8.9 18.6 40.7 4 9 A I E -a 45 0A 14 40,-2.9 42,-1.7 -2,-0.5 2,-0.4 -0.900 12.8-151.2-116.9 112.2 11.0 21.0 38.5 5 10 A N E +a 46 0A 106 -2,-0.5 2,-0.3 40,-0.2 42,-0.2 -0.793 20.3 166.6 -93.4 139.1 9.1 23.0 35.9 6 11 A F E -a 47 0A 14 40,-2.1 42,-1.6 -2,-0.4 2,-0.4 -0.961 11.1-168.5-147.2 134.1 10.3 24.3 32.6 7 12 A T E -a 48 0A 53 -2,-0.3 42,-0.2 40,-0.2 40,-0.1 -0.948 21.5-151.6-118.6 142.9 8.4 25.8 29.6 8 13 A T S > S+ 0 0 0 40,-2.2 3,-1.7 -2,-0.4 2,-0.7 0.639 71.1 107.5 -77.5 -16.4 9.7 26.5 26.1 9 14 A A T 3 S- 0 0 36 39,-0.4 -2,-0.1 1,-0.3 40,-0.0 -0.524 103.9 -11.5 -71.4 105.6 7.0 29.3 25.9 10 15 A G T 3 S+ 0 0 65 -2,-0.7 -1,-0.3 1,-0.2 2,-0.1 0.778 95.5 176.5 72.3 30.3 9.0 32.6 26.1 11 16 A A < - 0 0 30 -3,-1.7 2,-0.2 4,-0.1 -1,-0.2 -0.400 9.5-169.2 -70.1 138.9 12.2 30.7 27.2 12 17 A T > - 0 0 81 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.740 39.7-105.6-118.8 169.3 15.4 32.6 27.7 13 18 A V H > S+ 0 0 120 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.881 124.4 51.2 -59.6 -35.0 19.0 31.5 28.2 14 19 A Q H > S+ 0 0 117 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.897 108.9 47.1 -69.8 -45.1 18.5 32.5 31.8 15 20 A S H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.894 116.4 45.6 -65.5 -39.6 15.2 30.5 32.4 16 21 A Y H X S+ 0 0 62 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.887 113.4 49.5 -67.8 -42.1 16.8 27.5 30.7 17 22 A T H X S+ 0 0 46 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.911 111.1 48.7 -64.4 -44.8 20.0 27.9 32.8 18 23 A N H X S+ 0 0 66 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.889 109.9 54.1 -60.5 -41.4 18.1 28.2 36.0 19 24 A F H X S+ 0 0 8 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.932 110.9 44.2 -54.6 -51.1 16.1 25.1 35.0 20 25 A I H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.892 111.4 53.2 -66.6 -40.9 19.4 23.1 34.5 21 26 A R H X S+ 0 0 125 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.919 107.9 52.2 -56.1 -45.3 20.9 24.4 37.8 22 27 A A H < S+ 0 0 28 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.933 112.3 44.4 -58.0 -49.4 17.8 23.3 39.6 23 28 A V H >X S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 4,-0.6 0.946 112.4 52.0 -59.0 -51.6 18.1 19.8 38.2 24 29 A R H >< S+ 0 0 75 -4,-3.1 3,-1.3 1,-0.3 -1,-0.2 0.870 102.3 61.5 -53.1 -40.2 21.8 19.7 38.9 25 30 A G T 3< S+ 0 0 49 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.632 104.1 48.6 -64.4 -15.6 21.1 20.7 42.5 26 31 A R T <4 S+ 0 0 118 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.507 90.4 105.3-100.3 -7.6 19.1 17.5 43.0 27 32 A L << - 0 0 9 -3,-1.3 2,-0.2 -4,-0.6 35,-0.2 -0.435 44.6-173.0 -76.1 145.9 21.7 15.1 41.5 28 33 A T - 0 0 65 33,-2.8 2,-0.4 -2,-0.1 -1,-0.1 -0.713 23.5-154.0-132.1 78.5 23.9 12.8 43.6 29 44 A V + 0 0 29 -2,-0.2 34,-0.2 34,-0.1 33,-0.1 -0.400 28.5 156.6 -66.7 113.5 26.1 11.5 40.8 30 45 A L - 0 0 80 32,-1.4 -2,-0.1 -2,-0.4 3,-0.1 -0.991 54.8-116.6-136.9 139.4 27.3 8.1 41.8 31 46 A P S S+ 0 0 142 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.809 103.0 16.7 -44.2 -35.7 28.6 5.3 39.4 32 47 A N S S- 0 0 104 -3,-0.0 2,-0.6 30,-0.0 3,-0.3 -0.997 74.0-127.7-145.9 142.6 25.6 3.3 40.8 33 48 A a + 0 0 13 -2,-0.3 -4,-0.0 1,-0.2 8,-0.0 -0.751 60.9 111.4 -87.1 122.1 22.4 3.9 42.6 34 49 A V + 0 0 89 -2,-0.6 2,-1.3 3,-0.0 -1,-0.2 0.327 65.4 54.5-149.8 -67.0 22.0 1.6 45.7 35 50 A G S S+ 0 0 81 -3,-0.3 -2,-0.1 2,-0.0 -3,-0.0 -0.118 89.5 102.7 -79.1 40.1 22.2 3.4 49.0 36 51 A L S S- 0 0 30 -2,-1.3 5,-0.1 5,-0.0 2,-0.0 -0.990 72.3-124.3-130.0 127.5 19.4 5.7 48.0 37 52 A P > - 0 0 51 0, 0.0 3,-1.3 0, 0.0 4,-0.1 -0.355 19.1-126.2 -66.4 150.8 15.8 5.5 49.1 38 53 A I T 3 S+ 0 0 60 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.685 106.6 72.1 -71.9 -16.6 13.1 5.3 46.4 39 54 A N T 3 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.536 116.5 19.7 -73.5 -7.9 11.4 8.3 48.0 40 55 A Q S < S+ 0 0 109 -3,-1.3 -1,-0.2 -39,-0.1 -2,-0.2 0.100 96.1 100.7-146.1 20.2 14.3 10.5 46.8 41 56 A R S S+ 0 0 16 -3,-0.5 20,-2.9 -5,-0.1 21,-0.4 0.664 80.8 51.5 -83.7 -18.5 15.7 8.4 43.9 42 57 A F E - B 0 60A 2 -4,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.897 61.0-152.6-126.1 150.9 14.0 10.4 41.2 43 58 A I E - B 0 59A 0 16,-2.8 16,-3.3 -2,-0.3 2,-0.5 -0.969 19.2-142.8-114.5 134.6 13.5 14.0 40.1 44 59 A L E -aB 3 58A 21 -42,-2.7 -40,-2.9 -2,-0.4 2,-0.5 -0.869 13.1-167.1-100.7 130.1 10.3 14.8 38.1 45 60 A V E -aB 4 57A 0 12,-2.7 12,-3.0 -2,-0.5 2,-0.7 -0.938 6.0-157.2-120.5 106.5 10.7 17.4 35.3 46 61 A E E -aB 5 56A 72 -42,-1.7 -40,-2.1 -2,-0.5 2,-0.4 -0.759 12.9-168.3 -87.5 115.3 7.4 18.8 33.9 47 62 A L E +aB 6 55A 0 8,-3.7 8,-2.6 -2,-0.7 2,-0.3 -0.849 9.1 173.5-104.5 134.3 8.0 20.1 30.4 48 63 A S E -aB 7 54A 23 -42,-1.6 -40,-2.2 -2,-0.4 -39,-0.4 -0.988 9.5-161.0-138.7 151.7 5.4 22.2 28.6 49 64 A N > - 0 0 0 4,-1.6 3,-1.1 -2,-0.3 -40,-0.1 -0.355 43.5 -80.4-116.1-164.5 5.4 24.1 25.3 50 65 A H T 3 S+ 0 0 116 1,-0.3 -43,-0.0 2,-0.1 80,-0.0 0.757 126.3 60.7 -70.3 -28.3 3.6 26.9 23.4 51 66 A A T 3 S- 0 0 61 79,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.434 115.3-120.3 -76.0 -1.2 0.8 24.5 22.5 52 67 A E < + 0 0 146 -3,-1.1 2,-0.3 1,-0.3 -2,-0.1 0.656 64.3 147.5 68.6 15.7 0.3 24.1 26.3 53 68 A L - 0 0 28 18,-0.0 -4,-1.6 2,-0.0 2,-0.4 -0.606 30.2-160.0 -80.1 143.2 1.1 20.4 26.0 54 69 A S E +B 48 0A 36 -2,-0.3 18,-0.4 -6,-0.2 2,-0.3 -0.983 18.1 176.2-136.9 133.3 2.8 18.9 29.0 55 70 A V E -B 47 0A 0 -8,-2.6 -8,-3.7 -2,-0.4 2,-0.6 -0.954 20.3-141.6-127.0 149.1 4.9 15.8 29.8 56 71 A T E -BC 46 70A 17 14,-2.4 14,-2.4 -2,-0.3 2,-0.3 -0.944 14.2-154.6-115.8 114.5 6.7 14.8 33.0 57 72 A L E -BC 45 69A 0 -12,-3.0 -12,-2.7 -2,-0.6 2,-0.7 -0.639 8.8-140.8 -83.6 139.8 10.1 13.2 32.7 58 73 A A E -BC 44 68A 0 10,-2.9 9,-2.8 -2,-0.3 10,-0.8 -0.906 21.8-166.6-100.4 113.4 11.4 10.9 35.4 59 74 A L E -BC 43 66A 0 -16,-3.3 -16,-2.8 -2,-0.7 2,-0.5 -0.868 20.4-128.3-105.3 134.5 15.1 11.5 36.0 60 75 A D E >> -B 42 0A 8 5,-2.4 4,-2.7 -2,-0.4 3,-0.9 -0.678 14.6-145.1 -76.0 124.0 17.3 9.1 38.0 61 76 A V T 34 S+ 0 0 6 -20,-2.9 -33,-2.8 -2,-0.5 -1,-0.1 0.692 94.0 63.4 -69.4 -16.6 19.2 11.3 40.6 62 77 A a T 34 S+ 0 0 2 -21,-0.4 -32,-1.4 -35,-0.2 -1,-0.2 0.796 126.9 3.8 -75.3 -30.0 22.2 9.1 40.3 63 78 A N T <4 S- 0 0 50 -3,-0.9 -2,-0.2 -34,-0.2 -1,-0.1 0.390 90.1-121.0-137.8 -3.4 23.0 9.8 36.7 64 79 A A < + 0 0 0 -4,-2.7 -3,-0.1 1,-0.2 100,-0.1 0.266 65.1 141.2 77.5 -9.9 20.4 12.4 35.6 65 80 A Y - 0 0 63 -5,-0.2 -5,-2.4 -6,-0.1 2,-0.5 -0.235 59.5-105.6 -71.0 151.8 19.1 10.1 32.8 66 81 A V E +C 59 0A 9 -7,-0.2 -7,-0.2 40,-0.2 -1,-0.1 -0.642 33.0 177.0 -76.6 120.0 15.5 9.7 31.8 67 82 A V E - 0 0 25 -9,-2.8 11,-1.7 -2,-0.5 2,-0.3 0.587 65.5 -45.3 -97.3 -15.4 14.1 6.4 33.1 68 83 A G E -CD 58 77A 1 -10,-0.8 -10,-2.9 9,-0.3 -1,-0.4 -0.963 57.4-130.2 169.2-176.8 10.5 7.1 31.7 69 84 A Y E -CD 57 76A 0 7,-2.7 7,-2.6 -2,-0.3 2,-0.4 -0.984 7.5-125.6-157.0 168.1 7.8 9.7 31.4 70 85 A R E +CD 56 75A 69 -14,-2.4 -14,-2.4 -2,-0.3 2,-0.3 -0.951 15.4 178.1-121.1 139.2 4.2 10.7 31.8 71 86 A A E > - D 0 74A 0 3,-2.6 3,-1.7 -2,-0.4 2,-0.4 -0.873 65.4 -64.0-138.7 99.6 1.8 12.2 29.3 72 87 A G T 3 S- 0 0 32 -18,-0.4 -16,-0.0 -2,-0.3 65,-0.0 -0.424 122.3 -3.2 63.4-112.9 -1.7 12.7 30.7 73 88 A N T 3 S+ 0 0 72 -2,-0.4 25,-2.8 23,-0.1 2,-0.4 0.251 122.7 77.2 -96.3 8.5 -3.1 9.3 31.5 74 89 A S E < -De 71 98A 5 -3,-1.7 -3,-2.6 23,-0.2 2,-0.4 -0.938 55.0-164.5-125.6 145.0 -0.2 7.2 30.2 75 90 A A E -De 70 99A 0 23,-2.9 25,-2.4 -2,-0.4 2,-0.4 -0.993 5.8-165.7-127.5 137.1 3.3 6.4 31.5 76 91 A Y E -De 69 100A 28 -7,-2.6 -7,-2.7 -2,-0.4 2,-0.4 -0.963 4.9-170.2-123.4 134.7 6.1 5.0 29.5 77 92 A F E -De 68 101A 2 23,-2.4 25,-2.9 -2,-0.4 -9,-0.3 -0.987 22.6-123.1-129.8 135.8 9.3 3.4 30.9 78 93 A F - 0 0 12 -11,-1.7 27,-0.2 -2,-0.4 25,-0.1 -0.422 53.4 -81.2 -65.5 149.1 12.6 2.4 29.2 79 94 A H - 0 0 96 25,-2.9 27,-0.3 1,-0.1 -1,-0.1 -0.358 52.5-122.0 -52.8 116.1 13.5 -1.3 29.8 80 95 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.418 8.4-138.5 -66.0 138.8 15.1 -1.3 33.2 81 96 A D S S+ 0 0 136 -2,-0.1 2,-0.3 -3,-0.0 -2,-0.1 0.599 79.8 7.3 -74.6 -11.4 18.7 -2.7 33.2 82 97 A N S > S- 0 0 63 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.963 80.6 -94.1-159.1 173.1 18.1 -4.7 36.4 83 98 A Q H > S+ 0 0 164 -2,-0.3 4,-2.2 2,-0.2 5,-0.3 0.843 117.0 57.4 -62.5 -41.2 15.6 -5.9 39.0 84 99 A E H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.948 114.3 38.8 -53.4 -53.7 16.3 -3.0 41.5 85 100 A D H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.807 109.3 63.8 -65.6 -35.0 15.4 -0.5 38.8 86 101 A A H < S+ 0 0 27 -4,-2.0 4,-0.2 1,-0.2 -2,-0.2 0.927 115.0 30.2 -57.4 -46.3 12.5 -2.7 37.6 87 102 A E H >< S+ 0 0 117 -4,-2.2 3,-0.7 2,-0.2 4,-0.3 0.770 112.9 64.5 -87.9 -24.5 10.7 -2.4 40.8 88 103 A A H >< S+ 0 0 2 -4,-2.0 3,-1.6 -5,-0.3 -2,-0.2 0.918 100.0 53.5 -56.9 -44.7 12.0 1.2 41.6 89 104 A I G >< S+ 0 0 12 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.605 90.0 76.0 -71.5 -10.9 10.2 2.5 38.6 90 105 A T G < S+ 0 0 74 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.665 87.9 62.1 -72.3 -13.5 6.9 1.0 39.8 91 106 A H G < S+ 0 0 77 -3,-1.6 3,-0.5 -4,-0.3 2,-0.4 0.437 86.9 97.8 -87.2 -1.6 6.8 3.9 42.3 92 107 A L S < S- 0 0 0 -3,-1.4 4,-0.1 1,-0.2 -23,-0.1 -0.744 98.4 -9.6 -94.4 136.6 6.7 6.4 39.4 93 108 A F S > S+ 0 0 18 -2,-0.4 3,-1.8 1,-0.1 -1,-0.2 0.881 75.9 172.1 48.7 50.1 3.4 7.9 38.3 94 109 A T T 3 S+ 0 0 102 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.754 71.1 54.7 -64.1 -25.4 1.5 5.5 40.5 95 110 A D T 3 S+ 0 0 112 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.361 82.4 113.7 -89.7 2.7 -1.9 7.2 39.8 96 111 A V < - 0 0 12 -3,-1.8 -23,-0.1 1,-0.1 -22,-0.1 -0.535 60.7-144.9 -78.5 144.1 -1.6 7.0 36.0 97 112 A Q S S+ 0 0 155 -24,-0.3 2,-0.5 -2,-0.2 -23,-0.2 0.937 81.0 45.3 -75.1 -50.1 -4.1 4.7 34.3 98 113 A N E -e 74 0A 76 -25,-2.8 -23,-2.9 2,-0.0 2,-0.4 -0.873 65.9-175.2-105.6 125.5 -2.0 3.2 31.5 99 114 A R E +e 75 0A 101 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.963 4.3 175.1-121.1 133.3 1.6 1.9 32.1 100 115 A Y E -e 76 0A 125 -25,-2.4 -23,-2.4 -2,-0.4 2,-0.5 -0.995 15.5-161.9-141.1 134.3 4.0 0.6 29.5 101 116 A T E -e 77 0A 64 -2,-0.4 -23,-0.2 -25,-0.2 -22,-0.1 -0.965 23.3-133.2-111.6 119.6 7.6 -0.6 29.7 102 117 A F - 0 0 5 -25,-2.9 -2,-0.0 -2,-0.5 -26,-0.0 -0.345 10.7-131.9 -64.4 151.3 9.5 -0.7 26.4 103 118 A A S S+ 0 0 88 -24,-0.1 2,-0.2 -25,-0.1 -1,-0.1 0.618 90.0 67.8 -75.7 -15.5 11.6 -3.8 25.6 104 119 A F S S- 0 0 37 1,-0.1 -25,-2.9 2,-0.0 -2,-0.1 -0.689 84.2-116.2-106.5 159.4 14.5 -1.5 24.7 105 120 A G - 0 0 9 -2,-0.2 -1,-0.1 -27,-0.2 -2,-0.1 -0.327 18.3-119.3 -88.7 171.9 16.6 0.7 26.9 106 121 A G + 0 0 23 -27,-0.3 -40,-0.2 -2,-0.1 2,-0.1 0.065 66.2 127.7-101.1 23.8 17.0 4.5 26.9 107 122 A N S > S- 0 0 75 1,-0.1 4,-2.5 -42,-0.1 3,-0.2 -0.450 71.5-111.8 -77.4 155.3 20.7 4.6 26.2 108 123 A Y H > S+ 0 0 59 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.869 114.6 55.0 -53.1 -45.5 22.1 6.8 23.3 109 124 A D H > S+ 0 0 134 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 112.1 43.6 -58.4 -44.0 23.2 3.8 21.2 110 125 A R H > S+ 0 0 96 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.945 115.5 47.7 -65.2 -49.1 19.7 2.2 21.3 111 126 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.889 110.5 51.2 -60.4 -45.4 17.9 5.5 20.7 112 127 A E H X S+ 0 0 86 -4,-3.0 4,-1.2 -5,-0.2 -1,-0.2 0.938 112.2 48.2 -54.4 -49.1 20.2 6.4 17.7 113 128 A Q H >< S+ 0 0 108 -4,-1.9 3,-0.5 -5,-0.2 -2,-0.2 0.929 111.7 48.8 -57.3 -50.2 19.5 3.0 16.2 114 129 A L H 3< S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.795 111.5 48.7 -63.2 -32.6 15.7 3.4 16.7 115 130 A A H >X S+ 0 0 0 -4,-2.2 3,-2.3 -5,-0.2 4,-0.6 0.735 85.3 127.3 -74.1 -22.7 15.8 6.9 15.1 116 131 A G T << + 0 0 36 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.1 0.382 65.2 37.8 4.3 -94.9 17.8 5.3 12.3 117 132 A N T 34 S+ 0 0 141 -4,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.771 129.0 34.6 -40.9 -39.8 16.1 6.2 8.9 118 133 A L T <4 S+ 0 0 66 -3,-2.3 2,-0.7 1,-0.2 -2,-0.2 0.887 93.4 70.0 -83.9 -88.3 15.3 9.6 10.3 119 134 A R < + 0 0 60 -4,-0.6 2,-0.3 28,-0.2 3,-0.3 -0.149 45.3 141.0 -79.7 98.1 17.4 11.4 12.5 120 135 A E S S+ 0 0 136 -2,-0.7 3,-0.2 1,-0.2 -3,-0.0 -0.685 73.6 18.9 -97.4 161.4 20.6 12.7 11.2 121 136 A N S S- 0 0 132 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.835 81.6-155.6 49.6 45.8 21.9 16.2 12.2 122 137 A I - 0 0 33 -3,-0.3 2,-0.3 1,-0.1 -1,-0.2 -0.375 9.3-148.5 -61.6 111.9 19.7 16.3 15.3 123 138 A E - 0 0 135 -2,-0.5 2,-0.3 -3,-0.2 -1,-0.1 -0.572 9.5-155.6 -82.6 139.5 19.3 20.0 16.0 124 139 A L + 0 0 71 -2,-0.3 2,-0.2 4,-0.1 3,-0.1 -0.729 38.3 92.9-108.6 166.0 19.0 21.1 19.6 125 140 A G S > S- 0 0 28 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.817 85.8 -61.1 139.9-180.0 17.4 24.3 20.9 126 141 A N H > S+ 0 0 59 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 128.9 53.3 -65.3 -44.1 14.1 25.7 22.1 127 142 A G H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.953 111.1 45.1 -53.7 -60.1 12.3 25.0 18.8 128 143 A P H > S+ 0 0 32 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.861 113.0 50.8 -52.3 -42.0 13.3 21.3 18.8 129 144 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.908 108.4 53.2 -61.5 -44.0 12.5 20.8 22.5 130 145 A E H X S+ 0 0 35 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.928 113.8 41.6 -53.6 -51.3 9.0 22.4 21.8 131 146 A E H X S+ 0 0 117 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.842 111.0 57.3 -69.2 -33.7 8.4 19.8 19.1 132 147 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.866 103.0 54.4 -64.3 -36.4 9.9 17.0 21.2 133 148 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.918 109.4 47.3 -63.5 -44.6 7.4 17.7 23.9 134 149 A S H X S+ 0 0 18 -4,-1.4 4,-3.1 2,-0.2 5,-0.2 0.914 110.5 52.3 -62.1 -44.9 4.5 17.3 21.4 135 150 A A H X S+ 0 0 8 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.912 110.8 47.7 -56.8 -46.8 6.1 14.1 20.0 136 151 A L H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 3,-0.3 0.922 114.8 46.1 -59.6 -46.5 6.3 12.7 23.6 137 152 A Y H >< S+ 0 0 64 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.922 112.4 48.5 -63.3 -46.9 2.6 13.7 24.3 138 153 A Y H ><>S+ 0 0 103 -4,-3.1 5,-2.2 1,-0.2 3,-1.7 0.673 92.3 77.8 -73.7 -15.2 1.2 12.4 21.0 139 154 A Y H ><5S+ 0 0 53 -4,-1.2 3,-1.3 1,-0.3 -1,-0.2 0.886 89.0 59.5 -56.4 -38.1 2.9 9.0 21.3 140 155 A S T <<5S+ 0 0 22 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.568 109.3 41.8 -68.6 -13.1 0.3 8.1 23.9 141 156 A T T < 5S- 0 0 99 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.092 120.5 -98.8-121.8 21.1 -2.6 8.6 21.3 142 157 A G T < 5S+ 0 0 72 -3,-1.3 -3,-0.2 2,-0.1 -2,-0.1 0.505 93.8 113.3 79.5 6.6 -0.9 7.0 18.2 143 158 A G < + 0 0 59 -5,-2.2 2,-0.5 -6,-0.1 -4,-0.2 0.618 62.9 68.3 -85.3 -13.2 0.2 10.2 16.7 144 159 A T S S- 0 0 16 -6,-0.6 2,-0.2 -5,-0.1 -2,-0.1 -0.941 70.7-143.5-118.3 124.1 4.0 9.6 17.1 145 160 A Q > - 0 0 145 -2,-0.5 4,-2.5 1,-0.1 3,-0.3 -0.475 29.6-109.5 -76.8 153.0 6.0 7.0 15.2 146 161 A L H > S+ 0 0 67 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.876 116.3 51.5 -51.6 -49.7 8.9 5.1 17.0 147 162 A P H > S+ 0 0 26 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.894 112.6 47.1 -58.3 -38.5 11.8 6.8 15.1 148 163 A T H > S+ 0 0 37 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.881 111.2 51.9 -66.5 -41.4 10.3 10.3 15.9 149 164 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.926 109.9 49.4 -57.7 -48.0 9.9 9.2 19.5 150 165 A A H X S+ 0 0 3 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.913 111.6 47.4 -59.7 -47.3 13.5 8.1 19.7 151 166 A R H X S+ 0 0 32 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.884 111.9 51.8 -60.7 -40.7 14.7 11.4 18.2 152 167 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.879 107.2 51.8 -66.4 -39.9 12.5 13.3 20.7 153 168 A F H X S+ 0 0 3 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.924 108.1 52.6 -58.7 -44.3 14.0 11.3 23.6 154 169 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.909 108.0 51.1 -59.0 -43.1 17.5 12.2 22.4 155 170 A I H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.926 113.5 44.2 -61.2 -47.1 16.6 15.9 22.3 156 171 A C H X>S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 5,-0.6 0.913 115.0 48.6 -64.1 -44.2 15.2 15.8 25.9 157 172 A I H <>S+ 0 0 5 -4,-2.9 5,-3.6 3,-0.2 6,-0.4 0.899 115.2 43.3 -65.3 -43.1 18.2 13.8 27.2 158 173 A Q H <5S+ 0 0 66 -4,-2.8 5,-0.3 -5,-0.2 -1,-0.2 0.884 119.0 42.8 -71.0 -37.6 20.8 16.0 25.6 159 174 A M H <5S+ 0 0 14 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.673 134.1 13.9 -82.8 -17.2 19.1 19.3 26.6 160 175 A I T X5S+ 0 0 0 -4,-1.5 4,-2.7 -5,-0.2 5,-0.3 0.684 129.7 33.9-120.1 -76.4 18.2 18.2 30.1 161 176 A S H > S+ 0 0 16 -6,-0.4 4,-1.9 -5,-0.3 -1,-0.2 0.927 113.8 41.6 -65.4 -45.6 23.2 19.3 30.4 164 179 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.894 115.2 51.4 -68.0 -42.4 22.7 18.9 34.2 165 180 A R H X S+ 0 0 60 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.933 110.0 48.7 -59.8 -50.7 25.1 16.0 34.3 166 181 A F H X S+ 0 0 118 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.889 112.2 48.5 -58.0 -43.8 27.8 18.0 32.5 167 182 A Q H X S+ 0 0 47 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.837 108.7 54.1 -68.3 -33.5 27.4 21.0 34.8 168 183 A Y H X S+ 0 0 56 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.914 110.8 46.2 -61.5 -46.0 27.5 18.7 37.9 169 184 A I H < S+ 0 0 72 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.825 114.5 45.1 -71.6 -35.5 30.9 17.3 36.7 170 185 A E H >< S+ 0 0 107 -4,-2.0 3,-1.3 3,-0.2 -1,-0.2 0.789 107.8 62.5 -73.5 -27.7 32.4 20.7 35.9 171 186 A G H 3< S+ 0 0 47 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.831 106.3 42.2 -64.1 -35.9 30.9 21.8 39.2 172 187 A E T 3< 0 0 117 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.153 360.0 360.0 -95.9 16.7 33.1 19.3 41.1 173 188 A M < 0 0 186 -3,-1.3 -3,-0.2 -5,-0.1 -2,-0.1 0.989 360.0 360.0 68.0 360.0 36.1 20.3 38.8