==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-07 2PJO . COMPND 2 MOLECULE: RICIN (EC 3.2.2.22); . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR J.H.CARRA,C.A.MCHUGH,S.MULLIGAN,L.M.MACHIESKY,C.B.MILLARD . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 12 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 0 2 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 3 1 0 2 1 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 . 1 1 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 85 0, 0.0 52,-0.2 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 153.1 12.1 43.3 45.1 2 7 A P - 0 0 45 0, 0.0 52,-3.3 0, 0.0 2,-0.4 -0.287 360.0-150.0 -59.5 141.9 15.6 42.4 46.4 3 8 A I E -a 54 0A 88 50,-0.2 2,-0.4 52,-0.1 52,-0.2 -0.963 10.8-167.1-121.5 132.9 17.9 41.1 43.7 4 9 A I E -a 55 0A 21 50,-2.9 52,-2.3 -2,-0.4 2,-0.3 -0.975 14.0-150.6-117.0 130.7 20.8 38.6 44.2 5 10 A N E +a 56 0A 96 -2,-0.4 2,-0.3 50,-0.2 52,-0.2 -0.765 20.4 164.2-105.7 149.4 23.3 38.0 41.5 6 11 A F E -a 57 0A 16 50,-1.9 52,-1.9 -2,-0.3 2,-0.4 -0.963 14.4-161.2-157.1 142.6 25.4 35.0 40.5 7 12 A T E -a 58 0A 53 -2,-0.3 52,-0.2 50,-0.2 133,-0.1 -0.984 19.7-150.6-130.9 142.4 27.4 34.0 37.4 8 13 A T S > S+ 0 0 4 50,-2.1 3,-1.7 -2,-0.4 2,-0.5 0.633 71.7 108.0 -79.6 -16.8 28.6 30.6 36.3 9 14 A A T 3 S- 0 0 38 49,-0.4 -2,-0.1 1,-0.3 49,-0.0 -0.501 104.0 -14.3 -66.5 112.8 31.5 32.4 34.6 10 15 A G T 3 S+ 0 0 72 -2,-0.5 -1,-0.3 1,-0.2 5,-0.1 0.732 93.1 178.6 66.3 22.5 34.5 31.6 36.7 11 16 A A < - 0 0 19 -3,-1.7 2,-0.3 4,-0.1 -1,-0.2 -0.261 4.4-174.6 -59.3 142.7 32.4 30.3 39.5 12 17 A T > - 0 0 71 1,-0.1 4,-2.5 0, 0.0 5,-0.3 -0.832 42.4 -99.5-130.9 168.7 34.3 29.0 42.5 13 18 A V H > S+ 0 0 19 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.918 124.3 49.3 -56.2 -42.0 33.2 27.3 45.8 14 19 A Q H > S+ 0 0 111 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 110.1 47.3 -67.1 -43.0 33.5 30.6 47.5 15 20 A S H > S+ 0 0 42 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 115.4 47.1 -66.6 -36.7 31.5 32.7 45.0 16 21 A Y H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.915 112.1 50.2 -68.3 -42.1 28.8 30.0 45.0 17 22 A T H X S+ 0 0 21 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.904 110.3 49.6 -62.3 -42.6 28.8 29.8 48.8 18 23 A N H X S+ 0 0 60 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.898 111.1 51.1 -62.9 -40.9 28.5 33.6 49.1 19 24 A F H X S+ 0 0 7 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.949 111.1 45.6 -61.6 -52.5 25.6 33.6 46.6 20 25 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.887 111.7 52.8 -60.6 -39.4 23.6 30.9 48.5 21 26 A R H X S+ 0 0 158 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.909 109.7 49.8 -62.4 -39.8 24.2 32.7 51.8 22 27 A A H X S+ 0 0 37 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.888 108.8 51.6 -66.0 -40.2 22.9 35.9 50.3 23 28 A V H >X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.5 0.939 110.2 48.9 -62.7 -46.3 19.8 34.1 49.0 24 29 A R H 3X S+ 0 0 40 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.888 107.6 55.7 -60.4 -39.1 19.1 32.6 52.4 25 30 A G H 3< S+ 0 0 53 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.791 112.1 42.0 -64.5 -29.3 19.5 36.1 54.0 26 31 A R H << S+ 0 0 149 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.684 112.0 55.4 -89.8 -21.3 16.8 37.5 51.7 27 32 A L H < S+ 0 0 2 -4,-1.7 2,-0.2 -5,-0.2 -2,-0.2 0.895 112.4 38.7 -77.0 -42.1 14.5 34.6 52.1 28 33 A T < - 0 0 24 -4,-2.2 12,-0.1 -5,-0.2 44,-0.0 -0.678 61.4-154.0-107.9 163.7 14.3 34.7 55.9 29 34 A T - 0 0 111 10,-0.4 -1,-0.1 -2,-0.2 11,-0.1 0.611 41.4-115.3-109.7 -20.0 14.2 37.6 58.3 30 35 A G S S+ 0 0 57 9,-0.3 3,-0.1 2,-0.2 10,-0.1 0.437 90.2 107.8 95.7 1.1 15.7 36.1 61.5 31 36 A A S S+ 0 0 90 1,-0.2 2,-0.5 8,-0.1 -3,-0.0 0.714 76.4 48.0 -82.1 -22.0 12.4 36.4 63.3 32 37 A D + 0 0 29 7,-0.3 7,-2.9 2,-0.0 2,-0.4 -0.930 61.9 149.6-129.6 109.6 11.7 32.7 63.3 33 38 A V E -F 38 0B 76 -2,-0.5 2,-0.4 5,-0.3 3,-0.1 -0.995 17.4-173.6-137.6 128.2 14.3 30.1 64.2 34 39 A R E > S-F 37 0B 19 3,-2.5 3,-1.7 -2,-0.4 -2,-0.0 -0.976 74.4 -10.8-130.6 121.9 13.5 26.8 65.8 35 40 A H T 3 S- 0 0 78 -2,-0.4 -1,-0.2 1,-0.3 178,-0.0 0.887 130.8 -56.6 59.3 37.6 16.1 24.3 67.1 36 41 A E T 3 S+ 0 0 150 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.482 115.6 118.5 72.8 6.9 18.6 26.6 65.4 37 42 A I E < -F 34 0B 2 -3,-1.7 -3,-2.5 212,-0.0 -1,-0.2 -0.905 63.0-128.8-109.3 117.8 16.9 26.2 62.0 38 43 A P E -F 33 0B 37 0, 0.0 212,-1.4 0, 0.0 2,-0.4 -0.258 18.8-145.4 -61.8 146.8 15.5 29.3 60.4 39 44 A V B -g 250 0C 4 -7,-2.9 -10,-0.4 210,-0.2 -7,-0.3 -0.921 16.5-116.0-116.4 140.9 11.9 29.3 59.2 40 45 A L - 0 0 0 210,-3.4 32,-0.1 -2,-0.4 -12,-0.1 -0.293 49.2 -77.7 -69.2 156.9 10.6 31.0 56.1 41 46 A P - 0 0 25 0, 0.0 211,-0.3 0, 0.0 2,-0.3 -0.247 50.3-106.1 -56.7 142.4 8.0 33.9 56.5 42 47 A N - 0 0 59 1,-0.2 4,-0.1 2,-0.1 30,-0.1 -0.529 21.7-143.3 -69.9 130.7 4.4 32.8 57.1 43 48 A R S > S+ 0 0 120 -2,-0.3 3,-1.7 209,-0.2 2,-0.4 0.843 76.9 94.0 -66.0 -31.9 2.4 33.3 54.0 44 49 A V T 3 S- 0 0 119 1,-0.3 -2,-0.1 -3,-0.0 0, 0.0 -0.477 104.9 -1.2 -67.0 118.2 -0.7 34.3 56.0 45 50 A G T 3 S+ 0 0 75 -2,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.476 90.2 148.6 82.6 2.5 -0.7 38.1 56.3 46 51 A L < - 0 0 37 -3,-1.7 -1,-0.3 -4,-0.1 5,-0.1 -0.590 50.0-121.3 -74.8 119.7 2.6 38.6 54.4 47 52 A P > - 0 0 63 0, 0.0 3,-2.0 0, 0.0 4,-0.1 -0.301 15.7-124.3 -60.0 141.7 2.5 41.9 52.5 48 53 A I G > S+ 0 0 55 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.786 107.7 67.4 -59.0 -28.2 2.9 41.6 48.7 49 54 A N G 3 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.498 107.6 39.8 -73.1 0.4 5.9 44.0 48.8 50 55 A Q G < S+ 0 0 107 -3,-2.0 -1,-0.3 -49,-0.1 -2,-0.2 0.180 89.8 96.6-129.1 13.3 7.8 41.3 50.7 51 56 A R S < S+ 0 0 19 -3,-1.5 20,-2.5 -4,-0.1 21,-0.4 0.759 81.1 35.7 -79.4 -27.3 6.6 38.3 48.9 52 57 A F E - B 0 70A 4 -4,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.837 50.9-162.4-130.2 164.4 9.4 37.7 46.3 53 58 A I E - B 0 69A 2 16,-1.8 16,-2.8 -2,-0.3 2,-0.4 -0.955 22.7-132.5-136.2 153.3 13.1 37.9 45.8 54 59 A L E -aB 3 68A 18 -52,-3.3 -50,-2.9 -2,-0.3 2,-0.6 -0.919 10.2-162.1-114.7 137.1 14.9 38.0 42.4 55 60 A V E -aB 4 67A 0 12,-2.8 12,-3.2 -2,-0.4 2,-0.7 -0.947 9.0-159.8-118.0 108.8 17.9 35.9 41.4 56 61 A E E -aB 5 66A 51 -52,-2.3 -50,-1.9 -2,-0.6 2,-0.4 -0.807 9.3-165.4 -93.4 117.8 19.7 37.2 38.4 57 62 A L E +aB 6 65A 0 8,-3.1 8,-2.2 -2,-0.7 2,-0.3 -0.862 8.3 179.8-106.4 134.4 21.9 34.5 36.7 58 63 A S E -aB 7 64A 28 -52,-1.9 -50,-2.1 -2,-0.4 -49,-0.4 -0.906 7.0-161.6-127.5 154.9 24.5 35.3 34.1 59 64 A N > - 0 0 3 4,-1.6 3,-1.7 -2,-0.3 4,-0.2 -0.747 39.9 -91.1-129.7-179.9 26.9 32.9 32.3 60 65 A H T 3 S+ 0 0 154 1,-0.3 -1,-0.0 -2,-0.2 -53,-0.0 0.783 119.7 67.7 -61.6 -27.7 30.1 33.0 30.3 61 66 A A T 3 S- 0 0 53 79,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.352 115.9-115.0 -75.5 8.8 28.1 33.5 27.1 62 67 A E S < S+ 0 0 170 -3,-1.7 2,-0.3 1,-0.2 -2,-0.2 0.832 72.8 135.2 60.5 34.7 27.2 36.9 28.5 63 68 A L - 0 0 16 -4,-0.2 -4,-1.6 2,-0.0 2,-0.3 -0.869 35.3-164.4-112.5 147.3 23.5 36.0 28.8 64 69 A S E +B 58 0A 42 -2,-0.3 2,-0.3 -6,-0.2 18,-0.3 -0.976 12.4 177.5-135.5 147.5 21.3 36.7 31.8 65 70 A V E -B 57 0A 1 -8,-2.2 -8,-3.1 -2,-0.3 2,-0.5 -0.968 20.4-139.8-141.3 150.1 18.0 35.5 33.1 66 71 A T E -BC 56 80A 5 14,-2.5 14,-2.3 -2,-0.3 2,-0.3 -0.963 11.7-157.1-120.9 120.1 16.2 36.5 36.3 67 72 A L E -BC 55 79A 0 -12,-3.2 -12,-2.8 -2,-0.5 2,-0.5 -0.677 8.7-143.6 -91.7 147.5 14.4 34.0 38.4 68 73 A A E -BC 54 78A 0 10,-2.4 9,-2.6 -2,-0.3 10,-0.9 -0.958 17.0-164.8-112.4 126.1 11.6 35.0 40.8 69 74 A L E -BC 53 76A 0 -16,-2.8 -16,-1.8 -2,-0.5 2,-0.5 -0.926 19.5-129.6-115.6 140.2 11.4 33.1 44.0 70 75 A D E >> -B 52 0A 6 5,-2.4 4,-2.5 -2,-0.4 3,-1.1 -0.745 15.3-148.4 -83.5 122.1 8.5 33.1 46.5 71 76 A V T 34 S+ 0 0 6 -20,-2.5 -1,-0.1 -2,-0.5 -19,-0.1 0.725 91.0 64.9 -67.2 -21.1 9.9 33.8 50.0 72 77 A T T 34 S+ 0 0 8 -21,-0.4 180,-0.5 -32,-0.1 -1,-0.2 0.723 128.1 2.8 -75.8 -18.8 7.3 31.6 51.7 73 78 A N T <4 S- 0 0 21 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.1 0.391 91.1-118.2-145.3 -0.2 8.5 28.4 50.1 74 79 A A < + 0 0 0 -4,-2.5 2,-0.2 1,-0.2 -3,-0.2 0.651 59.4 156.5 65.5 16.4 11.6 29.2 48.0 75 80 A Y - 0 0 135 -5,-0.4 -5,-2.4 1,-0.1 2,-0.7 -0.497 48.3-124.5 -73.1 141.6 9.7 28.0 44.9 76 81 A V E -C 69 0A 11 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.798 31.3-179.3 -84.2 118.4 10.8 29.4 41.5 77 82 A V E - 0 0 24 -9,-2.6 11,-2.1 -2,-0.7 2,-0.3 0.569 54.5 -44.2 -99.0 -10.8 7.6 30.9 40.2 78 83 A G E -CD 68 87A 2 -10,-0.9 -10,-2.4 9,-0.3 2,-0.3 -0.976 53.5-124.4 168.2-176.1 8.8 32.2 36.9 79 84 A Y E -CD 67 86A 0 7,-2.4 7,-2.7 -2,-0.3 2,-0.4 -0.990 6.3-134.7-155.8 163.5 11.6 34.1 35.1 80 85 A R E +CD 66 85A 63 -14,-2.3 -14,-2.5 -2,-0.3 2,-0.4 -0.973 15.8 176.6-124.6 137.3 12.5 37.0 32.9 81 86 A A E > - D 0 84A 7 3,-2.8 3,-1.4 -2,-0.4 2,-0.2 -0.924 65.0 -52.9-139.2 107.8 14.8 37.0 29.8 82 87 A G T 3 S- 0 0 35 -2,-0.4 65,-0.0 -18,-0.3 -1,-0.0 -0.400 123.1 -9.5 64.0-128.5 15.0 40.3 28.0 83 88 A N T 3 S+ 0 0 122 -2,-0.2 25,-2.1 23,-0.1 2,-0.4 0.140 123.9 75.7 -91.0 19.6 11.6 41.6 27.0 84 89 A S E < -De 81 108A 11 -3,-1.4 -3,-2.8 23,-0.2 2,-0.4 -0.987 53.9-170.0-135.8 144.1 9.7 38.4 28.0 85 90 A A E -De 80 109A 0 23,-2.4 25,-2.4 -2,-0.4 2,-0.4 -0.986 5.7-161.8-131.9 141.1 8.6 36.8 31.3 86 91 A Y E -De 79 110A 17 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.4 -0.983 4.4-167.2-126.5 134.7 7.2 33.4 31.9 87 92 A F E -De 78 111A 2 23,-2.1 25,-3.3 -2,-0.4 -9,-0.3 -0.930 23.7-118.5-122.1 143.4 5.3 32.1 35.0 88 93 A F - 0 0 15 -11,-2.1 27,-0.2 -2,-0.4 25,-0.1 -0.411 54.1 -79.0 -71.6 155.7 4.4 28.6 36.0 89 94 A H - 0 0 109 25,-2.7 27,-0.3 1,-0.1 -1,-0.1 -0.384 53.8-116.7 -59.4 121.9 0.6 28.0 36.3 90 95 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.320 11.6-145.8 -61.9 141.2 -0.6 29.5 39.6 91 96 A D S S+ 0 0 146 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.604 77.2 4.2 -84.4 -13.6 -2.0 27.0 42.1 92 97 A N S > S- 0 0 42 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.970 80.1 -94.7-160.7 171.4 -4.7 29.4 43.5 93 98 A Q H > S+ 0 0 143 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.862 118.8 56.3 -62.2 -39.1 -6.2 32.8 43.1 94 99 A E H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 110.8 44.0 -59.6 -45.8 -3.9 34.4 45.7 95 100 A D H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.859 109.4 56.6 -68.6 -35.7 -0.8 33.3 43.8 96 101 A A H < S+ 0 0 30 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.901 111.1 43.7 -63.1 -39.4 -2.2 34.3 40.5 97 102 A E H >< S+ 0 0 91 -4,-2.1 3,-1.2 1,-0.2 4,-0.2 0.899 109.0 58.9 -72.2 -39.6 -2.7 37.9 41.8 98 103 A A H >< S+ 0 0 2 -4,-2.1 3,-2.0 1,-0.3 -2,-0.2 0.911 99.3 55.7 -57.0 -46.2 0.7 37.9 43.5 99 104 A I G >< S+ 0 0 18 -4,-2.1 3,-1.6 1,-0.3 -1,-0.3 0.665 88.9 75.6 -66.1 -12.4 2.7 37.2 40.3 100 105 A T G < S+ 0 0 78 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.628 89.6 61.9 -71.4 -9.5 1.1 40.3 38.6 101 106 A H G < S+ 0 0 69 -3,-2.0 3,-0.4 -4,-0.2 2,-0.3 0.424 89.5 90.2 -93.0 -1.4 3.5 42.2 40.9 102 107 A L S < S- 0 0 1 -3,-1.6 -34,-0.0 1,-0.2 -3,-0.0 -0.782 98.8 -7.0-101.6 142.7 6.6 40.7 39.2 103 108 A F S > S+ 0 0 16 -2,-0.3 3,-1.5 1,-0.1 -1,-0.2 0.866 72.5 170.3 44.3 50.0 8.5 42.0 36.2 104 109 A T T 3 + 0 0 103 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.686 69.3 57.4 -63.5 -19.3 5.9 44.7 35.7 105 110 A D T 3 S+ 0 0 132 3,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.522 77.9 113.8 -90.7 -6.6 8.0 46.5 33.0 106 111 A V < - 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0 0 80 -2,-0.3 3,-2.2 1,-0.1 4,-0.1 -0.460 37.6-105.7 -84.6 161.4 13.8 12.1 36.2 129 134 A R G > S+ 0 0 15 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.889 119.3 64.7 -53.7 -39.6 16.0 14.2 38.5 130 135 A E G 3 S+ 0 0 120 1,-0.3 -1,-0.3 64,-0.1 64,-0.2 0.587 106.1 44.1 -62.5 -8.8 18.2 11.2 39.1 131 136 A N G < S+ 0 0 98 -3,-2.2 2,-0.6 62,-0.1 -1,-0.3 0.177 93.1 90.6-120.3 15.0 19.2 11.3 35.4 132 137 A I S < S- 0 0 3 -3,-2.1 61,-0.1 -4,-0.1 2,-0.1 -0.955 74.7-130.6-115.7 116.0 19.7 15.0 35.0 133 138 A E - 0 0 96 -2,-0.6 2,-0.3 61,-0.2 61,-0.3 -0.361 20.2-160.3 -69.1 142.4 23.3 16.1 35.6 134 139 A L B +H 193 0D 0 59,-2.1 59,-2.1 -2,-0.1 2,-0.3 -0.863 36.0 94.4-120.2 154.8 24.0 19.1 37.9 135 140 A G S > S- 0 0 0 -2,-0.3 4,-1.9 57,-0.2 5,-0.2 -0.879 86.1 -63.1 150.2-178.5 27.0 21.3 38.2 136 141 A N H > S+ 0 0 35 55,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.848 130.0 54.2 -67.5 -33.5 28.4 24.6 36.9 137 142 A G H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.957 109.7 45.5 -64.4 -53.0 28.4 23.3 33.3 138 143 A P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.876 114.2 50.3 -58.5 -36.9 24.7 22.2 33.4 139 144 A L H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.925 108.2 51.1 -68.1 -43.7 23.8 25.6 35.1 140 145 A E H X S+ 0 0 62 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.911 114.6 44.9 -58.5 -42.3 25.6 27.6 32.5 141 146 A E H X S+ 0 0 91 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.839 109.0 55.7 -70.7 -35.0 23.8 25.7 29.8 142 147 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.880 104.5 53.8 -65.8 -37.7 20.4 26.0 31.6 143 148 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.899 109.9 47.4 -63.6 -40.9 20.8 29.8 31.6 144 149 A S H X S+ 0 0 23 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.905 111.1 51.4 -67.2 -40.6 21.4 29.8 27.8 145 150 A A H < S+ 0 0 9 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.918 111.5 46.6 -62.5 -44.8 18.4 27.5 27.3 146 151 A L H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.894 111.0 53.8 -64.8 -38.7 16.1 29.8 29.4 147 152 A Y H 3< S+ 0 0 82 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.884 111.2 43.7 -64.1 -39.7 17.4 32.8 27.6 148 153 A Y T 3<>S+ 0 0 102 -4,-2.0 5,-2.2 1,-0.2 6,-0.7 0.368 86.0 94.8 -90.0 5.8 16.6 31.5 24.1 149 154 A Y T X 5S+ 0 0 60 -3,-0.9 3,-2.0 -4,-0.4 5,-0.3 0.931 79.5 55.6 -62.4 -46.6 13.2 30.1 24.8 150 155 A S T 3 5S+ 0 0 54 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.748 108.8 48.9 -59.7 -24.8 11.2 33.2 23.6 151 156 A T T 3 5S- 0 0 107 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.2 0.273 118.8-106.2 -99.9 11.2 12.9 33.0 20.2 152 157 A G T < 5S+ 0 0 58 -3,-2.0 -3,-0.2 2,-0.1 -2,-0.1 0.623 87.7 120.0 77.3 12.8 12.3 29.4 19.6 153 158 A G < + 0 0 59 -5,-2.2 2,-0.4 1,-0.1 -4,-0.2 0.603 66.7 61.0 -84.0 -10.2 15.9 28.3 20.2 154 159 A T S S- 0 0 11 -6,-0.7 2,-0.1 -5,-0.3 -2,-0.1 -0.967 74.7-140.7-124.3 129.9 14.9 26.1 23.1 155 160 A Q > - 0 0 133 -2,-0.4 4,-2.2 1,-0.1 3,-0.2 -0.470 29.3-111.8 -80.8 155.8 12.6 23.0 23.0 156 161 A L H > S+ 0 0 61 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.901 116.0 53.1 -55.1 -47.3 10.2 22.4 25.8 157 162 A P H > S+ 0 0 59 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.908 112.4 45.8 -56.2 -41.3 11.9 19.3 27.1 158 163 A T H > S+ 0 0 39 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.849 111.4 52.2 -69.6 -35.4 15.2 21.2 27.3 159 164 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.934 110.8 48.1 -65.3 -45.5 13.4 24.2 29.0 160 165 A A H X S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.902 111.3 49.3 -61.4 -43.6 12.0 21.8 31.6 161 166 A R H X S+ 0 0 67 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.895 109.4 53.4 -63.5 -38.5 15.4 20.2 32.2 162 167 A S H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.863 107.5 49.9 -64.7 -38.1 16.9 23.6 32.6 163 168 A F H X S+ 0 0 1 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.929 108.2 54.3 -65.1 -43.6 14.3 24.6 35.2 164 169 A I H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.882 109.9 47.5 -56.9 -39.2 15.1 21.4 37.0 165 170 A I H X S+ 0 0 8 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.949 114.3 45.2 -67.4 -49.8 18.8 22.3 37.1 166 171 A C H X>S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.2 5,-0.5 0.898 110.4 54.0 -61.2 -44.5 18.2 25.9 38.3 167 172 A I H X>S+ 0 0 14 -4,-3.1 5,-2.1 1,-0.2 4,-0.7 0.909 113.4 41.7 -59.4 -44.0 15.7 24.9 41.0 168 173 A Q H <>S+ 0 0 0 -4,-1.6 5,-1.1 -5,-0.3 -2,-0.2 0.918 115.5 47.5 -72.4 -42.8 18.1 22.4 42.6 169 174 A M H <5S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.680 129.1 22.6 -74.4 -15.2 21.2 24.5 42.4 170 175 A I H X5S+ 0 0 1 -4,-1.5 4,-1.9 -5,-0.2 -3,-0.2 0.766 132.1 28.4-112.4 -66.1 19.5 27.6 43.8 171 176 A S H X S+ 0 0 89 69,-0.6 4,-2.8 -2,-0.5 70,-0.2 0.851 100.4 60.9 -60.6 -30.9 23.3 23.0 53.6 178 183 A Y H > S+ 0 0 49 68,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.919 106.8 41.9 -61.1 -45.4 23.8 19.3 52.6 179 184 A I H > S+ 0 0 0 67,-0.4 4,-2.0 -7,-0.3 -6,-0.2 0.888 111.9 54.8 -70.9 -37.2 22.7 20.0 49.0 180 185 A E H X S+ 0 0 13 -4,-2.4 4,-2.4 -7,-0.5 -2,-0.2 0.936 107.7 52.4 -58.4 -44.0 24.7 23.2 48.9 181 186 A G H X S+ 0 0 28 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.901 106.4 51.2 -58.3 -44.0 27.6 21.1 49.9 182 187 A E H X S+ 0 0 13 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.845 111.6 48.0 -63.8 -33.6 27.1 18.6 47.1 183 188 A M H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.871 108.0 54.8 -74.7 -35.5 26.9 21.5 44.6 184 189 A R H X S+ 0 0 84 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.914 106.1 53.0 -61.6 -41.6 30.1 23.0 46.1 185 190 A T H X S+ 0 0 77 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.909 108.0 50.1 -60.1 -43.2 31.9 19.6 45.5 186 191 A R H <>S+ 0 0 14 -4,-1.4 5,-2.4 1,-0.2 4,-0.4 0.901 114.2 44.8 -62.7 -41.4 30.8 19.7 41.8 187 192 A I H ><5S+ 0 0 17 -4,-2.1 3,-1.1 3,-0.2 -2,-0.2 0.930 109.0 56.3 -68.8 -45.2 32.1 23.2 41.4 188 193 A R H 3<5S+ 0 0 143 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.827 120.3 29.5 -56.5 -36.1 35.4 22.5 43.2 189 194 A Y T 3<5S- 0 0 143 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.279 105.7-121.6-109.6 11.0 36.3 19.7 40.9 190 195 A N T < 5 + 0 0 133 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.2 0.941 63.4 143.0 47.7 56.7 34.5 20.9 37.8 191 196 A R < - 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