==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-DEC-02 1J1M . COMPND 2 MOLECULE: RICIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR K.WATANABE,H.MOTOSHIMA . 262 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 65.3 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 . 33 12.6 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 1.1 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 . 12 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 29.4 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 . 2 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 83 0, 0.0 52,-0.2 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 150.0 77.0 -21.3 95.5 2 7 A P - 0 0 46 0, 0.0 52,-3.1 0, 0.0 2,-0.4 -0.254 360.0-149.6 -59.1 143.0 76.0 -17.8 94.3 3 8 A I E -a 54 0A 94 50,-0.2 2,-0.4 52,-0.1 52,-0.2 -0.968 11.7-170.0-121.9 132.8 74.8 -15.4 97.0 4 9 A I E -a 55 0A 12 50,-2.5 52,-2.2 -2,-0.4 2,-0.3 -0.986 15.5-147.7-120.8 128.6 72.3 -12.6 96.5 5 10 A N E +a 56 0A 109 -2,-0.4 2,-0.3 50,-0.2 52,-0.2 -0.698 21.3 165.5-100.2 148.4 71.7 -10.1 99.3 6 11 A F E -a 57 0A 12 50,-2.2 52,-2.1 -2,-0.3 2,-0.4 -0.956 12.3-166.0-156.6 139.2 68.6 -8.2 100.3 7 12 A T E -a 58 0A 54 -2,-0.3 52,-0.2 50,-0.2 133,-0.1 -0.982 21.1-150.4-129.7 142.6 67.6 -6.3 103.4 8 13 A T S > S+ 0 0 1 50,-2.0 3,-1.9 -2,-0.4 2,-0.4 0.674 70.7 109.4 -79.2 -17.5 64.2 -5.1 104.5 9 14 A A T 3 S- 0 0 35 1,-0.3 -2,-0.1 49,-0.3 49,-0.0 -0.455 103.2 -14.6 -64.2 114.4 65.9 -2.2 106.2 10 15 A G T 3 S+ 0 0 77 -2,-0.4 -1,-0.3 1,-0.2 5,-0.1 0.755 94.3 179.3 63.2 24.9 65.1 0.9 104.2 11 16 A A < - 0 0 17 -3,-1.9 2,-0.3 4,-0.1 -1,-0.2 -0.255 4.6-174.9 -60.8 144.8 63.9 -1.2 101.4 12 17 A T > - 0 0 72 1,-0.1 4,-2.5 176,-0.0 5,-0.3 -0.837 43.1 -98.9-133.0 169.8 62.6 0.6 98.3 13 18 A V H > S+ 0 0 26 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.930 124.8 49.1 -56.5 -43.1 60.9 -0.4 95.1 14 19 A Q H > S+ 0 0 117 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.917 110.2 47.1 -65.3 -45.3 64.3 -0.1 93.4 15 20 A S H > S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.888 115.2 47.0 -66.2 -35.6 66.3 -2.1 95.9 16 21 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.902 111.7 51.7 -69.7 -39.7 63.7 -4.9 95.9 17 22 A T H X S+ 0 0 33 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.922 108.8 50.3 -61.3 -45.1 63.7 -4.8 92.1 18 23 A N H X S+ 0 0 75 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.906 110.9 51.3 -59.1 -42.2 67.5 -5.2 92.0 19 24 A F H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.956 111.6 43.4 -60.6 -55.4 67.2 -8.1 94.3 20 25 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.890 113.3 52.9 -61.3 -38.7 64.6 -10.1 92.3 21 26 A R H X S+ 0 0 168 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.920 110.3 48.1 -62.4 -42.0 66.4 -9.3 89.1 22 27 A A H X S+ 0 0 36 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.888 109.8 52.6 -65.8 -39.2 69.7 -10.7 90.6 23 28 A V H >X S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 4,-0.9 0.956 110.4 46.6 -61.8 -49.9 67.9 -13.8 91.8 24 29 A R H >X S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.3 3,-0.8 0.888 106.6 60.7 -59.0 -37.2 66.4 -14.5 88.4 25 30 A G H 3< S+ 0 0 55 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.747 108.8 42.1 -61.9 -25.2 69.9 -13.9 86.9 26 31 A R H << S+ 0 0 150 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.516 113.3 54.7 -97.6 -9.5 71.3 -16.7 89.0 27 32 A L H << S+ 0 0 2 -4,-0.9 2,-0.3 -3,-0.8 -2,-0.2 0.901 107.0 43.5 -89.3 -49.8 68.3 -19.0 88.3 28 33 A T < - 0 0 29 -4,-2.3 12,-0.1 12,-0.1 -1,-0.1 -0.728 59.5-160.6 -99.8 150.9 68.2 -19.1 84.5 29 34 A T - 0 0 107 10,-0.4 -1,-0.1 -2,-0.3 11,-0.1 0.570 39.7-117.8-103.1 -14.9 71.2 -19.4 82.3 30 35 A G S S+ 0 0 54 9,-0.3 3,-0.2 2,-0.2 10,-0.1 0.371 90.0 107.5 91.1 -4.5 69.7 -18.1 79.0 31 36 A A S S+ 0 0 94 1,-0.2 2,-0.5 8,-0.1 -3,-0.0 0.735 78.0 46.5 -76.4 -22.6 70.3 -21.5 77.4 32 37 A D + 0 0 32 7,-0.3 7,-2.8 2,-0.0 2,-0.4 -0.906 64.9 152.0-129.5 105.2 66.6 -22.3 77.4 33 38 A V E -F 38 0B 76 -2,-0.5 2,-0.4 5,-0.2 3,-0.1 -0.997 15.4-175.7-133.5 129.2 64.0 -19.7 76.3 34 39 A R E > S-F 37 0B 16 3,-2.6 3,-2.1 -2,-0.4 -2,-0.0 -0.982 73.2 -11.3-132.4 125.2 60.6 -20.5 74.8 35 40 A H T 3 S- 0 0 77 -2,-0.4 -1,-0.2 1,-0.3 179,-0.0 0.882 129.6 -57.3 55.8 38.9 58.1 -18.0 73.5 36 41 A E T 3 S+ 0 0 157 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.409 116.3 116.2 74.3 0.3 60.3 -15.4 75.1 37 42 A I E < -F 34 0B 4 -3,-2.1 -3,-2.6 212,-0.0 -1,-0.2 -0.893 64.2-127.2-107.3 122.1 60.0 -17.0 78.5 38 43 A P E -F 33 0B 35 0, 0.0 212,-1.8 0, 0.0 2,-0.4 -0.292 17.2-145.1 -64.0 144.6 63.1 -18.5 80.3 39 44 A V B -g 250 0C 4 -7,-2.8 -10,-0.4 210,-0.2 -7,-0.3 -0.910 17.6-119.2-113.0 139.1 63.1 -22.1 81.5 40 45 A L - 0 0 1 210,-3.4 32,-0.1 -2,-0.4 -12,-0.1 -0.287 48.5 -75.1 -70.2 160.1 64.9 -23.1 84.7 41 46 A P - 0 0 27 0, 0.0 211,-0.4 0, 0.0 2,-0.3 -0.256 52.4-107.4 -57.8 144.0 67.7 -25.8 84.4 42 47 A N - 0 0 51 1,-0.1 4,-0.2 2,-0.1 30,-0.1 -0.571 16.7-139.1 -74.4 130.5 66.6 -29.3 83.9 43 48 A R S > S+ 0 0 92 -2,-0.3 3,-1.5 209,-0.2 2,-0.4 0.868 83.4 89.9 -56.1 -38.2 67.0 -31.5 87.0 44 49 A V T 3 S- 0 0 115 1,-0.3 -2,-0.1 -3,-0.0 0, 0.0 -0.478 105.6 -0.3 -68.2 117.7 68.2 -34.3 84.8 45 50 A G T 3 S+ 0 0 74 -2,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.438 90.8 147.8 85.0 0.8 72.0 -34.1 84.3 46 51 A L < - 0 0 34 -3,-1.5 -1,-0.2 -4,-0.2 5,-0.1 -0.571 48.3-125.5 -76.0 117.6 72.4 -31.0 86.5 47 52 A P > - 0 0 57 0, 0.0 3,-2.0 0, 0.0 4,-0.1 -0.317 15.6-125.1 -60.9 141.4 75.8 -31.0 88.3 48 53 A I G > S+ 0 0 55 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.792 108.2 65.1 -58.9 -28.7 75.4 -30.5 92.1 49 54 A N G 3 S+ 0 0 109 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.541 108.2 41.1 -73.2 -4.0 77.8 -27.5 92.0 50 55 A Q G < S+ 0 0 106 -3,-2.0 -1,-0.3 -49,-0.1 -2,-0.2 0.181 91.7 93.8-123.7 12.4 75.1 -25.7 89.9 51 56 A R S < S+ 0 0 21 -3,-1.4 20,-2.5 -4,-0.1 21,-0.4 0.764 81.7 34.6 -81.4 -28.6 72.1 -26.9 91.8 52 57 A F E - B 0 70A 2 -4,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.851 51.0-162.2-130.8 163.1 71.5 -24.1 94.4 53 58 A I E - B 0 69A 3 16,-1.9 16,-2.9 -2,-0.3 2,-0.4 -0.947 21.1-133.8-135.9 154.6 71.7 -20.4 95.0 54 59 A L E -aB 3 68A 21 -52,-3.1 -50,-2.5 -2,-0.3 2,-0.6 -0.914 7.3-158.6-117.2 140.0 71.7 -18.6 98.4 55 60 A V E -aB 4 67A 0 12,-2.8 12,-2.9 -2,-0.4 2,-0.8 -0.963 9.3-155.3-118.7 113.1 69.7 -15.5 99.4 56 61 A E E -aB 5 66A 48 -52,-2.2 -50,-2.2 -2,-0.6 2,-0.4 -0.800 15.2-166.4 -91.3 107.3 71.1 -13.7 102.4 57 62 A L E +aB 6 65A 0 8,-2.8 8,-2.1 -2,-0.8 2,-0.3 -0.810 10.4 174.4 -99.3 133.7 68.3 -11.8 104.1 58 63 A S E -aB 7 64A 37 -52,-2.1 -50,-2.0 -2,-0.4 2,-0.3 -0.880 8.1-163.5-129.8 161.8 68.9 -9.1 106.6 59 64 A N > - 0 0 1 4,-1.4 3,-1.8 -2,-0.3 4,-0.1 -0.853 39.7 -93.3-139.8 177.0 66.5 -6.7 108.4 60 65 A H T 3 S+ 0 0 143 1,-0.3 -1,-0.0 -2,-0.3 80,-0.0 0.777 118.9 67.2 -62.6 -26.8 66.4 -3.5 110.4 61 66 A A T 3 S- 0 0 50 79,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.399 116.1-116.1 -74.1 4.3 66.6 -5.6 113.6 62 67 A E S < S+ 0 0 165 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.805 72.3 132.1 64.2 32.9 70.1 -6.4 112.5 63 68 A L - 0 0 16 -4,-0.1 -4,-1.4 2,-0.0 2,-0.3 -0.821 36.4-163.8-112.1 154.0 69.4 -10.1 112.1 64 69 A S E +B 58 0A 42 -2,-0.3 2,-0.3 -6,-0.2 18,-0.3 -0.995 11.3 177.9-141.3 146.1 70.3 -12.3 109.1 65 70 A V E -B 57 0A 1 -8,-2.1 -8,-2.8 -2,-0.3 2,-0.5 -0.971 22.4-134.6-141.0 152.8 69.3 -15.7 107.7 66 71 A T E -BC 56 80A 19 14,-2.6 14,-2.3 -2,-0.3 2,-0.3 -0.952 15.8-159.8-115.7 119.4 70.4 -17.5 104.6 67 72 A L E -BC 55 79A 1 -12,-2.9 -12,-2.8 -2,-0.5 2,-0.5 -0.760 9.1-144.0 -95.8 142.3 67.7 -19.2 102.4 68 73 A A E -BC 54 78A 0 10,-2.7 9,-2.7 -2,-0.3 10,-0.9 -0.924 15.4-163.9-107.1 127.3 68.7 -21.9 100.0 69 74 A L E -BC 53 76A 0 -16,-2.9 -16,-1.9 -2,-0.5 2,-0.5 -0.920 18.1-130.4-114.1 139.5 66.8 -22.0 96.7 70 75 A D E >> -B 52 0A 7 5,-2.5 4,-2.3 -2,-0.4 3,-1.3 -0.752 12.7-147.8 -85.3 122.2 66.8 -25.0 94.3 71 76 A V T 34 S+ 0 0 5 -20,-2.5 -1,-0.1 -2,-0.5 -19,-0.1 0.716 92.4 67.4 -66.3 -18.3 67.5 -23.7 90.7 72 77 A T T 34 S+ 0 0 12 -21,-0.4 180,-0.5 1,-0.2 -1,-0.2 0.726 125.8 5.7 -75.2 -19.1 65.3 -26.3 89.2 73 78 A N T <4 S- 0 0 50 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.366 91.2-122.4-142.5 1.8 62.1 -24.7 90.7 74 79 A A < + 0 0 0 -4,-2.3 2,-0.2 1,-0.2 -3,-0.2 0.560 67.4 139.0 63.6 11.4 63.2 -21.5 92.3 75 80 A Y - 0 0 35 -5,-0.5 -5,-2.5 1,-0.1 2,-0.4 -0.509 60.4-105.8 -91.5 154.5 61.8 -22.8 95.6 76 81 A V E +C 69 0A 4 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.625 33.4 175.0 -77.9 126.6 63.2 -22.6 99.1 77 82 A V E - 0 0 26 -9,-2.7 11,-2.2 -2,-0.4 2,-0.3 0.532 62.0 -38.1-108.3 -10.8 64.5 -25.9 100.4 78 83 A G E -CD 68 87A 2 -10,-0.9 -10,-2.7 9,-0.3 -1,-0.3 -0.975 53.7-130.8 171.2-179.0 66.0 -24.8 103.7 79 84 A Y E -CD 67 86A 0 7,-2.5 7,-2.9 -2,-0.3 2,-0.4 -0.984 6.9-135.8-155.0 164.2 67.7 -22.0 105.6 80 85 A R E +CD 66 85A 45 -14,-2.3 -14,-2.6 -2,-0.3 2,-0.4 -0.973 14.9 177.9-126.9 140.3 70.6 -21.2 108.0 81 86 A A E > - D 0 84A 5 3,-3.0 3,-1.6 -2,-0.4 -16,-0.1 -0.936 63.8 -51.7-141.5 112.4 70.6 -19.0 111.0 82 87 A G T 3 S- 0 0 43 -2,-0.4 65,-0.0 -18,-0.3 -1,-0.0 -0.349 123.5 -10.7 60.7-127.3 73.8 -18.7 113.0 83 88 A N T 3 S+ 0 0 107 23,-0.1 25,-1.5 -2,-0.1 2,-0.3 0.108 124.5 75.7 -93.6 22.6 75.1 -22.2 113.9 84 89 A S E < -De 81 108A 9 -3,-1.6 -3,-3.0 23,-0.2 2,-0.4 -0.989 53.7-170.8-137.0 144.8 72.0 -24.0 112.8 85 90 A A E -De 80 109A 0 23,-2.4 25,-2.3 -2,-0.3 2,-0.4 -0.987 5.3-162.7-133.4 143.1 70.4 -25.0 109.5 86 91 A Y E -De 79 110A 15 -7,-2.9 -7,-2.5 -2,-0.4 2,-0.4 -0.992 3.5-166.2-130.7 133.5 67.0 -26.4 108.8 87 92 A F E -De 78 111A 2 23,-2.2 25,-3.4 -2,-0.4 -9,-0.3 -0.928 24.5-115.9-120.6 141.8 65.8 -28.2 105.6 88 93 A F - 0 0 13 -11,-2.2 27,-0.2 -2,-0.4 25,-0.1 -0.361 53.9 -80.0 -68.2 153.6 62.3 -29.1 104.5 89 94 A H - 0 0 100 25,-2.7 27,-0.3 1,-0.1 -1,-0.1 -0.372 55.1-119.8 -58.5 120.3 61.5 -32.8 104.2 90 95 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.286 5.6-139.6 -65.1 147.4 63.0 -34.1 100.9 91 96 A D S S- 0 0 147 1,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.747 80.3 -2.0 -76.1 -27.8 60.8 -35.6 98.3 92 97 A N S > S- 0 0 58 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.944 79.0 -91.2-155.7 174.3 63.3 -38.3 97.4 93 98 A Q H > S+ 0 0 149 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.855 118.7 57.2 -61.3 -39.0 66.7 -39.8 98.1 94 99 A E H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 109.6 44.3 -60.5 -45.8 68.4 -37.7 95.4 95 100 A D H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.867 109.5 56.6 -67.8 -35.3 67.2 -34.4 96.9 96 101 A A H < S+ 0 0 32 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.895 111.3 43.9 -62.2 -38.5 68.1 -35.6 100.4 97 102 A E H >< S+ 0 0 101 -4,-2.1 3,-1.2 1,-0.2 4,-0.3 0.909 109.3 58.0 -72.2 -40.7 71.7 -36.2 99.1 98 103 A A H >< S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.895 100.8 54.7 -57.2 -43.8 71.7 -32.8 97.3 99 104 A I G >< S+ 0 0 16 -4,-2.2 3,-1.8 1,-0.3 -1,-0.3 0.660 89.2 75.6 -68.8 -13.0 71.0 -30.8 100.4 100 105 A T G < S+ 0 0 73 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.648 87.9 64.2 -70.4 -10.2 74.0 -32.3 102.2 101 106 A H G < S+ 0 0 70 -3,-1.8 2,-0.4 -4,-0.3 3,-0.3 0.408 89.5 88.2 -90.4 1.4 76.0 -29.9 99.9 102 107 A L S < S- 0 0 2 -3,-1.8 -34,-0.0 1,-0.2 -3,-0.0 -0.821 101.5 -7.2-104.7 142.0 74.4 -26.9 101.6 103 108 A F S > S+ 0 0 18 -2,-0.4 3,-1.6 1,-0.1 -1,-0.2 0.879 75.7 172.7 42.5 49.8 75.6 -25.1 104.7 104 109 A T T 3 + 0 0 104 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.645 69.0 53.3 -62.7 -17.9 78.2 -27.8 105.1 105 110 A D T 3 S+ 0 0 105 3,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.470 77.8 121.5 -97.8 -3.1 80.1 -26.0 107.9 106 111 A V < - 0 0 12 -3,-1.6 3,-0.1 1,-0.1 -23,-0.1 -0.357 59.1-142.2 -64.2 138.3 77.0 -25.5 110.2 107 112 A Q S S+ 0 0 152 1,-0.2 2,-0.5 -24,-0.1 -23,-0.2 0.816 87.5 41.1 -70.1 -33.1 77.4 -27.1 113.6 108 113 A N E -e 84 0A 68 -25,-1.5 -23,-2.4 2,-0.0 2,-0.5 -0.951 67.7-173.6-125.8 114.4 73.7 -28.2 113.8 109 114 A R E +e 85 0A 97 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.910 7.4 178.4-108.5 128.4 71.9 -29.7 110.9 110 115 A Y E -e 86 0A 107 -25,-2.3 -23,-2.2 -2,-0.5 2,-0.5 -0.978 17.3-158.8-131.0 140.8 68.2 -30.4 111.0 111 116 A T E -e 87 0A 80 -2,-0.4 -23,-0.2 -25,-0.2 -22,-0.1 -0.983 24.8-130.5-117.8 120.9 65.7 -31.8 108.5 112 117 A F - 0 0 16 -25,-3.4 -26,-0.0 -2,-0.5 -2,-0.0 -0.362 7.8-135.2 -66.4 150.1 62.0 -31.0 109.2 113 118 A A S S+ 0 0 91 -24,-0.1 2,-0.3 -25,-0.1 -1,-0.1 0.566 88.1 70.5 -81.8 -8.1 59.6 -34.0 109.1 114 119 A F S S- 0 0 21 1,-0.1 -25,-2.7 2,-0.0 -2,-0.1 -0.784 82.2-120.9-110.5 153.9 57.3 -31.7 107.1 115 120 A G - 0 0 14 -2,-0.3 -2,-0.1 -27,-0.2 -1,-0.1 -0.330 19.9-118.6 -85.6 171.8 57.6 -30.4 103.5 116 121 A G + 0 0 9 -27,-0.3 -40,-0.1 -2,-0.1 2,-0.1 0.251 68.9 124.1 -95.2 12.7 57.7 -26.8 102.4 117 122 A N S > S- 0 0 83 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.400 71.2-117.2 -72.5 151.0 54.6 -26.9 100.2 118 123 A Y H > S+ 0 0 17 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.867 110.9 59.9 -55.9 -42.3 51.8 -24.4 101.0 119 124 A D H > S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.949 113.1 38.3 -52.2 -51.2 49.2 -27.0 101.9 120 125 A R H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.929 117.1 49.4 -66.7 -46.8 51.5 -28.3 104.7 121 126 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 6,-0.2 0.864 109.2 52.6 -62.4 -37.4 52.8 -24.9 105.8 122 127 A E H X>S+ 0 0 22 -4,-3.2 4,-1.9 -5,-0.2 5,-1.1 0.901 108.1 51.7 -64.9 -40.4 49.3 -23.4 106.0 123 128 A Q H <5S+ 0 0 134 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.933 114.2 42.8 -61.3 -45.8 48.2 -26.3 108.2 124 129 A L H <5S+ 0 0 35 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.833 114.5 50.3 -70.0 -33.3 51.1 -25.7 110.5 125 130 A A H <5S- 0 0 8 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.755 101.8-131.8 -76.4 -25.1 50.7 -21.9 110.5 126 131 A G T <5S+ 0 0 60 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.662 77.9 82.4 80.4 15.6 47.0 -22.2 111.3 127 132 A N S - 0 0 82 -2,-0.3 3,-2.1 -3,-0.1 4,-0.2 -0.486 36.5-106.3 -86.7 161.8 45.8 -19.8 104.7 129 134 A R G > S+ 0 0 12 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.871 119.5 63.9 -54.7 -37.5 47.9 -17.7 102.3 130 135 A E G 3 S+ 0 0 114 1,-0.3 -1,-0.3 64,-0.1 64,-0.2 0.632 106.4 44.4 -64.6 -11.6 44.8 -15.5 101.8 131 136 A D G < S+ 0 0 90 -3,-2.1 2,-0.6 62,-0.1 -1,-0.3 0.230 94.3 89.2-116.3 11.5 44.9 -14.6 105.5 132 137 A I S < S- 0 0 0 -3,-1.8 61,-0.1 -4,-0.2 2,-0.1 -0.944 75.1-130.4-115.0 115.9 48.6 -13.9 105.8 133 138 A E - 0 0 84 -2,-0.6 2,-0.3 61,-0.2 61,-0.3 -0.349 20.6-160.7 -66.8 141.9 49.8 -10.4 105.1 134 139 A L B +H 193 0D 0 59,-2.0 59,-2.0 4,-0.1 2,-0.3 -0.844 36.7 91.4-118.9 157.2 52.7 -9.8 102.8 135 140 A G S > S- 0 0 0 -2,-0.3 4,-2.1 57,-0.2 5,-0.2 -0.850 87.6 -60.4 144.7-179.5 54.9 -6.8 102.4 136 141 A N H > S+ 0 0 28 55,-0.3 4,-2.5 -2,-0.3 5,-0.2 0.853 130.3 53.7 -66.0 -34.1 58.2 -5.4 103.8 137 142 A G H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.960 109.9 46.2 -64.6 -51.5 56.9 -5.4 107.3 138 143 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.892 114.1 49.3 -58.5 -38.1 55.9 -9.1 107.2 139 144 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 108.4 52.4 -67.6 -41.9 59.3 -9.9 105.7 140 145 A E H X S+ 0 0 37 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.939 114.5 44.0 -55.8 -48.1 61.1 -7.9 108.3 141 146 A E H X S+ 0 0 98 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.874 110.2 55.1 -65.1 -40.6 59.2 -9.9 110.9 142 147 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.871 104.3 53.8 -62.7 -39.5 59.7 -13.2 109.1 143 148 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.920 110.5 46.3 -62.7 -43.7 63.5 -12.8 109.1 144 149 A S H X S+ 0 0 23 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.903 111.6 52.8 -64.9 -40.7 63.5 -12.3 112.9 145 150 A A H < S+ 0 0 11 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.917 110.3 46.2 -61.5 -45.8 61.2 -15.3 113.3 146 151 A L H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 4,-0.4 0.924 112.5 52.2 -63.2 -42.3 63.4 -17.6 111.3 147 152 A Y H 3< S+ 0 0 88 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.904 110.2 46.7 -60.8 -43.4 66.5 -16.3 113.2 148 153 A Y T ><>S+ 0 0 105 -4,-2.4 5,-1.7 1,-0.2 6,-0.8 0.410 85.7 93.6 -82.8 3.6 65.1 -17.0 116.6 149 154 A Y G X 5S+ 0 0 60 -3,-1.1 3,-1.8 -4,-0.5 5,-0.3 0.934 78.4 55.8 -62.4 -47.7 63.8 -20.5 116.0 150 155 A S G 3 5S+ 0 0 56 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.714 107.3 50.1 -59.1 -24.0 66.8 -22.4 117.2 151 156 A T G < 5S- 0 0 108 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.400 118.9-105.3 -96.9 2.5 66.7 -20.8 120.6 152 157 A G T < 5S+ 0 0 55 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.511 89.6 117.9 88.3 5.3 63.0 -21.4 121.2 153 158 A G < + 0 0 54 -5,-1.7 2,-0.5 1,-0.1 -4,-0.2 0.676 65.1 63.8 -78.4 -16.0 62.0 -17.9 120.6 154 159 A T S S- 0 0 12 -6,-0.8 -2,-0.1 -5,-0.3 -1,-0.1 -0.935 75.1-142.4-116.9 122.5 59.8 -18.8 117.6 155 160 A Q > - 0 0 127 -2,-0.5 4,-2.2 1,-0.1 3,-0.2 -0.405 28.4-111.2 -75.5 154.3 56.7 -21.1 117.8 156 161 A L H > S+ 0 0 64 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.893 115.7 53.4 -53.5 -46.6 56.0 -23.5 115.0 157 162 A P H > S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.920 111.9 45.7 -57.3 -42.0 52.9 -21.7 113.7 158 163 A T H > S+ 0 0 65 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.856 111.0 53.4 -68.7 -35.1 54.9 -18.4 113.5 159 164 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.954 111.2 45.5 -63.4 -49.1 57.8 -20.3 111.8 160 165 A A H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.897 111.9 51.5 -60.4 -42.9 55.5 -21.7 109.2 161 166 A R H X S+ 0 0 75 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.908 109.7 51.2 -60.1 -42.5 53.8 -18.3 108.6 162 167 A S H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.860 107.7 51.3 -65.1 -36.9 57.2 -16.8 108.1 163 168 A F H X S+ 0 0 3 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.917 107.6 53.9 -65.7 -42.0 58.2 -19.4 105.6 164 169 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.894 110.6 47.1 -58.8 -39.5 55.0 -18.7 103.7 165 170 A I H X S+ 0 0 8 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.956 114.4 45.2 -67.6 -50.6 55.9 -15.0 103.6 166 171 A C H X>S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 5,-0.5 0.917 111.3 52.4 -60.1 -46.9 59.5 -15.6 102.5 167 172 A I H X>S+ 0 0 0 -4,-3.0 5,-2.1 1,-0.2 4,-0.7 0.916 113.6 43.0 -58.6 -44.8 58.6 -18.1 99.8 168 173 A Q H <>S+ 0 0 0 -4,-1.7 5,-0.9 -5,-0.3 -1,-0.2 0.910 115.6 47.1 -70.1 -40.9 56.0 -15.8 98.2 169 174 A M H <5S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.640 130.3 20.4 -77.0 -12.9 58.1 -12.6 98.4 170 175 A I H X5S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.2 -3,-0.2 0.720 130.9 32.4-117.3 -64.5 61.2 -14.3 97.0 171 176 A S H X S+ 0 0 63 69,-0.4 4,-2.7 -2,-0.4 70,-0.2 0.849 101.0 61.1 -59.9 -31.1 56.8 -10.4 87.3 178 183 A Y H > S+ 0 0 55 68,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.916 106.7 41.9 -62.0 -43.2 53.2 -10.0 88.3 179 184 A I H > S+ 0 0 0 67,-0.4 4,-1.8 -3,-0.3 -6,-0.2 0.856 111.3 55.4 -74.6 -32.8 53.9 -11.1 91.9 180 185 A E H X S+ 0 0 15 -4,-2.3 4,-2.4 -7,-0.5 -2,-0.2 0.939 108.7 50.5 -60.9 -43.4 57.2 -9.1 91.9 181 186 A G H X S+ 0 0 9 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.858 104.6 56.7 -61.5 -36.9 55.0 -6.1 91.0 182 187 A E H X S+ 0 0 14 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.881 111.1 43.1 -62.7 -38.1 52.6 -6.9 93.9 183 188 A M H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.856 109.8 56.3 -76.9 -34.7 55.4 -6.7 96.3 184 189 A R H X S+ 0 0 74 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.933 108.0 49.3 -60.5 -44.6 56.9 -3.6 94.7 185 190 A T H X S+ 0 0 61 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.915 109.0 51.2 -61.2 -45.0 53.5 -1.9 95.2 186 191 A R H <>S+ 0 0 13 -4,-1.6 5,-2.5 1,-0.2 4,-0.3 0.885 113.5 46.0 -60.8 -37.9 53.3 -2.9 98.9 187 192 A I H ><5S+ 0 0 17 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.936 107.1 57.2 -70.4 -45.5 56.8 -1.5 99.4 188 193 A R H 3<5S+ 0 0 132 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 121.3 28.1 -55.0 -33.5 56.1 1.7 97.6 189 194 A Y T 3<5S- 0 0 157 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.252 104.8-121.5-113.8 12.6 53.2 2.5 99.9 190 195 A N T < 5 + 0 0 136 -3,-1.2 2,-0.4 -4,-0.3 -3,-0.2 0.916 61.2 152.6 44.0 51.8 54.4 0.7 103.0 191 196 A R < - 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