==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUL-96 1IFU . COMPND 2 MOLECULE: RICIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR S.A.WESTON,A.D.TUCKER,D.R.THATCHER,D.J.DERBYSHIRE, . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 69.0 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 . 36 14.0 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 . 14 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 1 0 1 0 0 0 0 1 1 1 0 0 1 0 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 1 2 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 89 0, 0.0 52,-0.2 0, 0.0 49,-0.1 0.000 360.0 360.0 360.0 146.3 78.3 -21.6 96.4 2 7 A P - 0 0 45 0, 0.0 52,-3.3 0, 0.0 2,-0.4 -0.316 360.0-152.3 -57.1 140.2 77.3 -18.1 95.1 3 8 A I E -a 54 0A 80 50,-0.2 2,-0.4 52,-0.1 52,-0.2 -0.959 11.1-169.1-121.7 134.4 76.0 -15.8 97.9 4 9 A I E -a 55 0A 13 50,-2.5 52,-3.0 -2,-0.4 2,-0.4 -0.962 14.3-151.0-119.0 135.5 73.6 -13.0 97.3 5 10 A N E +a 56 0A 96 -2,-0.4 2,-0.3 50,-0.2 52,-0.2 -0.893 17.9 172.0-111.8 146.7 73.0 -10.5 100.2 6 11 A F E -a 57 0A 12 50,-2.2 52,-2.2 -2,-0.4 2,-0.4 -0.985 12.7-159.9-148.2 144.0 70.0 -8.5 101.0 7 12 A T E -a 58 0A 61 -2,-0.3 52,-0.2 50,-0.2 133,-0.1 -0.994 14.8-156.1-129.7 132.9 69.1 -6.4 104.1 8 13 A T > + 0 0 2 50,-2.3 3,-1.6 -2,-0.4 2,-0.5 0.655 67.9 108.1 -75.8 -18.8 65.6 -5.3 105.1 9 14 A A T 3 S- 0 0 35 49,-0.4 -2,-0.1 1,-0.3 49,-0.0 -0.453 104.0 -14.9 -63.8 113.0 67.2 -2.4 106.9 10 15 A G T 3 S+ 0 0 77 -2,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.802 94.2 173.9 63.6 27.9 66.3 0.7 104.9 11 16 A A < - 0 0 17 -3,-1.6 2,-0.3 4,-0.1 -1,-0.1 -0.242 10.3-169.4 -65.7 155.7 65.3 -1.4 101.9 12 17 A T > - 0 0 72 1,-0.1 4,-2.7 0, 0.0 5,-0.3 -0.907 41.2 -99.3-139.1 165.6 63.7 0.3 98.8 13 18 A V H > S+ 0 0 26 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.902 126.3 51.7 -56.6 -34.8 61.9 -1.0 95.7 14 19 A Q H > S+ 0 0 93 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.974 110.4 43.7 -68.6 -50.4 65.3 -0.5 94.0 15 20 A S H > S+ 0 0 43 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.834 118.1 47.1 -62.9 -30.4 67.4 -2.4 96.5 16 21 A Y H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.894 112.0 50.4 -75.2 -38.6 64.7 -5.1 96.5 17 22 A T H X S+ 0 0 5 -4,-3.0 4,-2.4 -5,-0.3 5,-0.2 0.946 109.2 49.9 -64.3 -47.9 64.6 -5.1 92.7 18 23 A N H X S+ 0 0 74 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.904 110.3 53.6 -57.8 -38.9 68.3 -5.4 92.3 19 24 A F H X S+ 0 0 8 -4,-1.3 4,-2.0 -5,-0.3 -2,-0.2 0.953 110.3 42.8 -59.8 -57.3 68.2 -8.3 94.8 20 25 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.840 113.1 55.0 -62.5 -30.7 65.6 -10.3 92.9 21 26 A R H X S+ 0 0 135 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.928 108.6 48.1 -68.2 -41.6 67.4 -9.6 89.6 22 27 A A H X S+ 0 0 42 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.851 109.6 52.2 -66.8 -37.9 70.6 -10.9 91.1 23 28 A V H >X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 3,-0.9 0.958 109.5 49.1 -63.0 -49.4 68.9 -14.1 92.3 24 29 A R H 3X S+ 0 0 44 -4,-2.2 4,-2.0 1,-0.3 -2,-0.2 0.890 109.0 54.2 -55.6 -43.2 67.4 -14.8 88.9 25 30 A G H 3< S+ 0 0 50 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.741 111.4 44.1 -64.2 -27.0 70.8 -14.2 87.3 26 31 A R H << S+ 0 0 137 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.747 110.7 54.6 -87.5 -30.8 72.3 -16.8 89.6 27 32 A L H < S+ 0 0 2 -4,-2.0 2,-0.3 -5,-0.1 -2,-0.2 0.880 107.2 53.9 -69.7 -40.8 69.5 -19.3 89.2 28 33 A T < - 0 0 30 -4,-2.0 12,-0.1 -5,-0.2 -1,-0.0 -0.752 58.4-157.4-107.2 148.7 69.7 -19.4 85.4 29 34 A T - 0 0 105 10,-0.3 -1,-0.1 -2,-0.3 11,-0.1 0.577 37.8-125.0 -93.0 -16.1 72.5 -20.1 82.8 30 35 A G S S+ 0 0 57 9,-0.3 3,-0.1 2,-0.2 10,-0.0 0.358 85.5 109.6 83.4 -5.8 71.0 -18.3 79.8 31 36 A A S S+ 0 0 91 1,-0.2 2,-0.4 8,-0.1 -1,-0.0 0.658 75.0 44.4 -75.4 -18.8 71.4 -21.6 77.9 32 37 A D + 0 0 31 7,-0.3 7,-2.5 2,-0.0 2,-0.4 -0.901 58.5 160.8-137.9 109.3 67.7 -22.3 77.8 33 38 A V E -F 38 0B 80 -2,-0.4 2,-0.5 5,-0.2 0, 0.0 -0.990 14.3-170.0-127.6 129.9 65.0 -19.8 76.9 34 39 A R E > S-F 37 0B 15 3,-2.9 3,-1.3 -2,-0.4 -2,-0.0 -0.968 76.5 -17.6-126.3 107.1 61.6 -21.0 75.7 35 40 A H T 3 S- 0 0 76 -2,-0.5 -1,-0.1 1,-0.3 179,-0.0 0.821 128.7 -54.0 61.4 38.7 59.2 -18.4 74.3 36 41 A E T 3 S+ 0 0 149 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.420 118.2 111.9 71.0 12.5 61.3 -15.7 75.9 37 42 A I E < -F 34 0B 1 -3,-1.3 -3,-2.9 212,-0.0 -1,-0.2 -0.940 67.6-125.9-117.9 122.0 61.1 -17.2 79.3 38 43 A P E -F 33 0B 35 0, 0.0 212,-1.5 0, 0.0 2,-0.4 -0.338 18.2-143.4 -64.6 146.4 64.2 -18.8 80.9 39 44 A V B -g 250 0C 1 -7,-2.5 -10,-0.3 210,-0.2 -7,-0.3 -0.884 19.4-117.3-113.8 141.3 64.1 -22.4 82.0 40 45 A L - 0 0 3 210,-3.3 32,-0.1 -2,-0.4 -12,-0.1 -0.364 46.1 -78.3 -73.8 159.4 65.9 -23.5 85.2 41 46 A P - 0 0 21 0, 0.0 211,-0.5 0, 0.0 2,-0.3 -0.154 49.8-109.8 -54.6 155.3 68.7 -26.1 84.9 42 47 A N - 0 0 53 2,-0.1 4,-0.5 1,-0.1 211,-0.1 -0.718 16.5-137.2 -90.0 138.1 67.7 -29.7 84.6 43 48 A R S > S+ 0 0 94 -2,-0.3 3,-0.7 209,-0.2 2,-0.6 0.854 82.4 87.4 -64.8 -34.4 68.3 -31.8 87.6 44 49 A V T 3 S+ 0 0 117 1,-0.2 -2,-0.1 -3,-0.0 -1,-0.0 -0.552 106.6 4.9 -74.3 113.5 69.6 -34.8 85.6 45 50 A G T 3 S+ 0 0 77 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.044 91.1 138.4 103.3 -21.6 73.3 -34.3 85.0 46 51 A L < - 0 0 36 -3,-0.7 -1,-0.3 -4,-0.5 2,-0.1 -0.345 51.6-131.1 -61.9 119.7 73.6 -31.2 87.1 47 52 A P > - 0 0 50 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.481 14.4-122.5 -70.3 146.9 76.9 -31.3 89.2 48 53 A I G > S+ 0 0 68 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.791 109.1 70.9 -60.4 -26.7 76.5 -30.6 93.0 49 54 A N G 3 S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.699 109.1 33.7 -67.8 -7.1 79.1 -27.8 92.5 50 55 A Q G < S+ 0 0 104 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.065 93.1 97.5-131.3 21.6 76.4 -25.9 90.7 51 56 A R S < S+ 0 0 16 -3,-1.8 20,-3.0 20,-0.1 21,-0.4 0.761 81.6 32.1 -85.8 -26.1 73.3 -27.2 92.6 52 57 A F E - B 0 70A 3 -4,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.821 48.8-163.7-133.4 166.2 72.8 -24.3 95.1 53 58 A I E - B 0 69A 3 16,-1.4 16,-2.7 -2,-0.3 2,-0.4 -0.955 23.8-133.8-141.1 149.8 73.0 -20.5 95.7 54 59 A L E -aB 3 68A 20 -52,-3.3 -50,-2.5 -2,-0.3 2,-0.5 -0.909 7.4-157.4-113.8 140.8 72.9 -18.9 99.1 55 60 A V E -aB 4 67A 0 12,-2.2 12,-2.9 -2,-0.4 2,-0.8 -0.973 9.3-156.6-118.8 112.6 70.9 -15.8 100.1 56 61 A E E -aB 5 66A 67 -52,-3.0 -50,-2.2 -2,-0.5 2,-0.5 -0.832 12.4-165.5 -94.2 108.6 72.2 -14.0 103.1 57 62 A L E +aB 6 65A 0 8,-2.9 8,-2.0 -2,-0.8 2,-0.3 -0.852 8.8 179.1-101.1 132.2 69.5 -12.0 104.7 58 63 A S E -aB 7 64A 24 -52,-2.2 -50,-2.3 -2,-0.5 -49,-0.4 -0.917 6.7-162.4-127.6 151.7 70.2 -9.4 107.3 59 64 A N > - 0 0 2 4,-1.8 3,-1.5 -2,-0.3 81,-0.0 -0.611 39.2 -88.6-126.9-175.2 67.9 -7.1 109.2 60 65 A H T 3 S+ 0 0 141 1,-0.3 80,-0.0 -2,-0.2 -1,-0.0 0.711 121.2 62.7 -67.1 -21.6 67.8 -3.9 111.2 61 66 A A T 3 S- 0 0 55 79,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.389 117.6-114.6 -82.1 4.3 68.4 -5.8 114.4 62 67 A E S < S+ 0 0 167 -3,-1.5 2,-0.4 1,-0.3 -2,-0.1 0.789 70.0 142.0 67.2 29.5 71.7 -6.7 112.8 63 68 A L - 0 0 22 18,-0.0 -4,-1.8 2,-0.0 2,-0.3 -0.833 32.6-161.0-102.9 142.7 70.8 -10.4 112.7 64 69 A S E +B 58 0A 56 -2,-0.4 2,-0.3 -6,-0.2 18,-0.2 -0.911 14.3 174.2-124.3 153.3 71.7 -12.6 109.7 65 70 A V E -B 57 0A 1 -8,-2.0 -8,-2.9 -2,-0.3 2,-0.5 -0.964 20.9-141.1-153.1 144.4 70.5 -15.9 108.4 66 71 A T E -BC 56 80A 16 14,-2.4 14,-1.9 -2,-0.3 -10,-0.3 -0.963 12.4-159.4-119.4 114.8 71.5 -17.7 105.1 67 72 A L E -BC 55 79A 0 -12,-2.9 -12,-2.2 -2,-0.5 2,-0.5 -0.637 10.4-141.6 -87.0 149.6 68.9 -19.5 103.1 68 73 A A E -BC 54 78A 0 10,-2.8 9,-2.9 -2,-0.2 10,-0.9 -0.964 14.8-161.9-114.0 124.1 69.9 -22.2 100.6 69 74 A L E -BC 53 76A 0 -16,-2.7 -16,-1.4 -2,-0.5 2,-0.6 -0.882 18.4-129.3-108.1 138.2 68.0 -22.4 97.3 70 75 A D E >>> -BC 52 75A 6 5,-2.7 4,-2.4 -2,-0.4 3,-1.4 -0.787 17.3-144.2 -82.7 124.3 68.0 -25.4 95.0 71 76 A V T 345S+ 0 0 7 -20,-3.0 -1,-0.1 -2,-0.6 -19,-0.1 0.773 92.3 63.1 -63.1 -27.7 68.9 -24.1 91.5 72 77 A T T 345S+ 0 0 11 -21,-0.4 180,-0.5 1,-0.2 -1,-0.2 0.555 127.3 6.4 -77.2 -5.3 66.6 -26.5 89.6 73 78 A N T <45S- 0 0 37 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.418 90.8-117.4-154.2 -4.1 63.4 -25.1 91.2 74 79 A A T <5 + 0 0 0 -4,-2.4 2,-0.2 1,-0.2 -3,-0.1 0.622 62.0 155.1 65.7 18.6 64.3 -22.0 93.3 75 80 A Y E < -C 70 0A 76 -5,-0.5 -5,-2.7 1,-0.1 2,-0.6 -0.489 49.6-121.0 -77.9 139.8 63.0 -23.9 96.4 76 81 A V E +C 69 0A 3 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.771 32.7 178.1 -82.9 116.1 64.3 -23.0 99.8 77 82 A V E - 0 0 18 -9,-2.9 11,-2.2 -2,-0.6 2,-0.3 0.704 55.1 -45.3 -93.8 -26.2 65.9 -26.2 101.2 78 83 A G E -CD 68 87A 1 -10,-0.9 -10,-2.8 9,-0.2 -1,-0.3 -0.978 51.3-121.4 176.8-176.8 67.2 -24.9 104.4 79 84 A Y E -CD 67 86A 0 7,-2.0 7,-2.4 -2,-0.3 2,-0.4 -0.947 7.7-136.7-148.0 164.1 69.0 -22.2 106.3 80 85 A R E +CD 66 85A 53 -14,-1.9 -14,-2.4 -2,-0.3 2,-0.4 -0.978 18.2 177.5-124.0 132.7 72.0 -21.5 108.5 81 86 A A E > - D 0 84A 1 3,-2.3 3,-1.7 -2,-0.4 2,-0.2 -0.905 63.0 -53.2-139.0 106.4 71.8 -19.2 111.6 82 87 A G T 3 S- 0 0 40 -2,-0.4 -1,-0.0 1,-0.3 65,-0.0 -0.425 123.0 -10.3 66.9-122.6 74.9 -18.9 113.6 83 88 A N T 3 S+ 0 0 63 -2,-0.2 25,-2.1 23,-0.1 24,-1.2 0.464 121.4 74.7 -90.0 -7.6 76.3 -22.3 114.5 84 89 A S E < -De 81 108A 3 -3,-1.7 -3,-2.3 23,-0.2 2,-0.4 -0.778 55.9-158.7-111.4 159.4 73.3 -24.4 113.4 85 90 A A E -De 80 109A 0 23,-2.9 25,-3.6 -2,-0.3 2,-0.4 -0.997 6.4-165.5-135.2 134.2 71.8 -25.6 110.1 86 91 A Y E -De 79 110A 13 -7,-2.4 -7,-2.0 -2,-0.4 2,-0.4 -0.967 5.0-172.4-122.3 139.2 68.2 -26.7 109.6 87 92 A F E -De 78 111A 0 23,-1.5 25,-2.6 -2,-0.4 -9,-0.2 -0.987 25.4-120.3-130.7 138.2 67.0 -28.6 106.5 88 93 A F - 0 0 9 -11,-2.2 27,-0.3 -2,-0.4 25,-0.1 -0.351 55.5 -77.3 -68.8 163.8 63.4 -29.5 105.5 89 94 A H - 0 0 111 25,-2.8 27,-0.2 22,-0.1 -1,-0.1 -0.484 51.8-123.0 -65.3 119.0 62.9 -33.3 105.1 90 95 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.304 11.3-145.7 -60.5 140.1 64.4 -34.3 101.7 91 96 A D S S+ 0 0 134 -3,-0.0 2,-0.3 1,-0.0 3,-0.1 0.334 75.1 12.1 -95.0 14.3 61.8 -36.0 99.5 92 97 A N S > S- 0 0 42 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.971 82.3 -96.0-169.8 172.8 64.3 -38.5 97.9 93 98 A Q H > S+ 0 0 123 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.854 115.6 53.1 -72.9 -36.8 67.8 -39.9 98.2 94 99 A E H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.916 114.1 46.0 -64.5 -39.8 69.6 -37.6 95.7 95 100 A D H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.893 109.3 52.2 -67.9 -42.4 68.3 -34.7 97.5 96 101 A A H < S+ 0 0 40 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 116.0 44.3 -63.0 -29.3 69.1 -36.1 101.0 97 102 A E H >< S+ 0 0 92 -4,-2.0 3,-1.1 2,-0.1 -2,-0.2 0.870 109.4 54.7 -82.3 -36.7 72.6 -36.5 99.5 98 103 A A H >< S+ 0 0 4 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.923 101.0 56.9 -63.3 -47.2 72.9 -33.2 97.9 99 104 A I G >< S+ 0 0 18 -4,-2.1 3,-1.2 1,-0.3 -1,-0.3 0.589 88.5 78.1 -63.4 -8.1 72.1 -31.1 101.0 100 105 A T G < S+ 0 0 64 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.594 87.0 61.2 -75.8 -7.0 75.0 -32.8 102.7 101 106 A H G < S+ 0 0 70 -3,-2.1 3,-0.4 -4,-0.2 2,-0.3 0.444 89.7 91.7 -96.0 -0.8 77.2 -30.4 100.7 102 107 A L S < S- 0 0 1 -3,-1.2 -34,-0.0 1,-0.2 -17,-0.0 -0.721 97.0 -5.8-100.7 145.4 75.7 -27.3 102.3 103 108 A F S > S+ 0 0 17 -2,-0.3 3,-1.4 1,-0.1 -1,-0.2 0.878 74.1 168.1 43.1 47.0 76.8 -25.4 105.4 104 109 A T T 3 + 0 0 101 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.750 68.9 55.3 -61.6 -24.3 79.4 -28.2 105.9 105 110 A D T 3 S+ 0 0 111 3,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.479 78.5 108.2 -89.5 -6.6 81.1 -26.0 108.5 106 111 A V < - 0 0 8 -3,-1.4 -22,-0.2 1,-0.1 3,-0.1 -0.448 65.2-140.9 -68.2 150.9 78.1 -25.5 110.9 107 112 A Q S S+ 0 0 125 -24,-1.2 2,-0.5 1,-0.2 -23,-0.2 0.751 86.3 44.5 -87.6 -24.7 78.5 -27.4 114.1 108 113 A N E -e 84 0A 54 -25,-2.1 -23,-2.9 2,-0.0 2,-0.5 -0.939 65.7-177.9-125.9 108.5 74.9 -28.5 114.5 109 114 A R E -e 85 0A 89 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.931 9.2-179.9-107.0 123.3 73.1 -29.8 111.4 110 115 A Y E -e 86 0A 108 -25,-3.6 -23,-1.5 -2,-0.5 2,-0.5 -0.968 17.6-153.1-125.9 147.4 69.5 -30.7 111.9 111 116 A T E -e 87 0A 76 -2,-0.4 -23,-0.2 -25,-0.2 -22,-0.1 -0.969 20.4-132.3-122.5 115.5 66.9 -32.0 109.5 112 117 A F - 0 0 19 -25,-2.6 -26,-0.0 -2,-0.5 0, 0.0 -0.142 11.5-131.5 -59.6 162.1 63.3 -31.2 110.2 113 118 A A S S+ 0 0 91 -24,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.473 88.8 65.8 -92.7 -10.0 60.8 -34.1 110.0 114 119 A F S S- 0 0 26 1,-0.0 -25,-2.8 2,-0.0 2,-0.2 -0.758 82.1-122.0-111.3 158.3 58.5 -32.1 107.8 115 120 A G - 0 0 15 -2,-0.3 6,-0.1 -27,-0.3 -2,-0.1 -0.479 23.8-110.9 -92.1 177.8 59.0 -30.8 104.3 116 121 A G + 0 0 5 -27,-0.2 -40,-0.1 -2,-0.2 2,-0.1 0.154 68.5 125.4 -98.2 18.6 58.9 -27.3 103.1 117 122 A N S > S- 0 0 79 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.406 70.3-113.4 -75.2 156.2 55.8 -27.3 101.0 118 123 A Y H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.875 111.8 57.0 -56.4 -44.7 53.1 -24.8 101.7 119 124 A D H > S+ 0 0 100 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.927 110.7 43.6 -53.6 -49.1 50.5 -27.3 102.9 120 125 A R H > S+ 0 0 96 1,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.954 116.4 46.9 -59.9 -53.0 52.8 -28.6 105.6 121 126 A L H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.756 109.4 52.3 -63.0 -32.3 53.9 -25.2 106.7 122 127 A E H X>S+ 0 0 18 -4,-2.5 4,-1.2 -5,-0.2 5,-1.0 0.865 110.8 50.4 -73.5 -34.0 50.4 -23.6 106.8 123 128 A Q H <5S+ 0 0 121 -4,-1.7 3,-0.4 -5,-0.3 -2,-0.2 0.948 112.3 45.1 -65.6 -47.5 49.4 -26.6 109.0 124 129 A L H <5S+ 0 0 26 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.777 116.7 47.0 -66.4 -28.5 52.4 -26.0 111.3 125 130 A A H <5S- 0 0 10 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.595 100.6-132.3 -88.9 -19.2 51.8 -22.2 111.4 126 131 A G T <5S+ 0 0 62 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.2 0.667 76.3 80.7 74.3 19.1 48.1 -22.4 112.0 127 132 A N S > - 0 0 85 -2,-0.3 3,-2.1 -3,-0.1 4,-0.7 -0.503 33.4-104.6 -93.8 165.6 46.9 -20.0 105.5 129 134 A R G >4 S+ 0 0 14 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.877 119.8 63.7 -55.5 -39.0 48.9 -17.9 103.0 130 135 A E G 34 S+ 0 0 80 1,-0.3 -1,-0.3 64,-0.1 64,-0.1 0.608 108.9 41.7 -61.4 -14.4 45.8 -15.7 102.5 131 136 A N G <4 S+ 0 0 92 -3,-2.1 2,-0.6 63,-0.1 -1,-0.3 0.508 90.8 89.4-111.6 -13.6 46.2 -14.6 106.1 132 137 A I S << S- 0 0 1 -3,-1.0 2,-0.1 -4,-0.7 61,-0.1 -0.832 77.0-126.9 -92.4 119.9 49.9 -14.2 106.6 133 138 A E - 0 0 91 -2,-0.6 2,-0.3 61,-0.2 61,-0.3 -0.400 19.0-153.3 -70.1 143.9 51.0 -10.5 105.9 134 139 A L B +H 193 0D 0 59,-2.5 59,-2.4 -2,-0.1 2,-0.3 -0.826 39.3 97.5-116.8 148.2 53.8 -9.7 103.4 135 140 A G S > S- 0 0 0 -2,-0.3 4,-1.6 57,-0.2 57,-0.1 -0.915 83.4 -72.4 158.9-178.8 56.0 -6.7 103.4 136 141 A N H > S+ 0 0 25 55,-0.5 4,-2.7 -2,-0.3 5,-0.2 0.913 127.8 55.0 -71.2 -38.9 59.4 -5.5 104.5 137 142 A G H > S+ 0 0 23 54,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.903 108.6 47.2 -57.8 -48.9 58.2 -5.4 108.2 138 143 A P H > S+ 0 0 4 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.887 113.8 48.5 -62.2 -36.4 57.1 -9.1 108.1 139 144 A L H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.909 108.1 54.2 -68.8 -41.9 60.4 -10.1 106.4 140 145 A E H X S+ 0 0 39 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.920 111.7 45.6 -56.3 -45.2 62.4 -8.2 109.0 141 146 A E H X S+ 0 0 102 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.862 107.5 57.5 -69.0 -35.6 60.6 -10.1 111.7 142 147 A A H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.843 100.6 56.9 -65.8 -34.5 61.1 -13.4 109.9 143 148 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.888 111.6 43.4 -64.3 -36.3 64.8 -13.0 109.8 144 149 A S H X S+ 0 0 24 -4,-1.0 4,-3.2 -3,-0.2 -2,-0.2 0.927 113.1 49.8 -73.6 -49.3 64.8 -12.7 113.7 145 150 A A H X S+ 0 0 11 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.924 115.0 45.0 -55.9 -46.3 62.3 -15.5 114.3 146 151 A L H >X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 3,-0.6 0.884 114.6 50.0 -64.4 -39.7 64.4 -17.8 112.0 147 152 A Y H >< S+ 0 0 59 -4,-1.7 3,-0.8 -5,-0.3 -2,-0.2 0.938 111.1 46.8 -65.1 -46.6 67.6 -16.6 113.7 148 153 A Y H ><>S+ 0 0 106 -4,-3.2 5,-1.3 1,-0.2 6,-1.1 0.436 92.1 77.9 -77.1 -4.3 66.3 -17.2 117.3 149 154 A Y H X<5S+ 0 0 67 -3,-0.6 3,-1.8 -4,-0.5 -1,-0.2 0.923 89.4 59.6 -66.6 -39.0 65.0 -20.6 116.6 150 155 A S T <<5S+ 0 0 20 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.598 107.7 45.6 -61.4 -15.4 68.7 -21.6 116.8 151 156 A T T < 5S- 0 0 83 -3,-0.6 -1,-0.3 -4,-0.1 -2,-0.1 -0.074 120.2 -99.9-118.7 27.7 68.7 -20.4 120.4 152 157 A G T < 5S+ 0 0 66 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.377 95.9 113.4 70.8 -5.2 65.5 -21.8 121.8 153 158 A G < + 0 0 51 -5,-1.3 2,-0.4 -6,-0.1 -4,-0.3 0.721 57.7 65.6 -73.1 -26.5 63.9 -18.4 121.3 154 159 A T S S- 0 0 17 -6,-1.1 2,-0.2 -9,-0.1 -2,-0.1 -0.822 72.4-132.1-107.5 140.8 61.3 -19.1 118.5 155 160 A Q >> - 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