==== 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 1IFT . 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) . 11723.0 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 . 10 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 30.2 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 1 0 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 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 84 0, 0.0 52,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 149.4 78.1 -21.7 96.1 2 7 A P - 0 0 48 0, 0.0 52,-3.3 0, 0.0 2,-0.4 -0.440 360.0-150.1 -61.1 145.6 77.4 -18.2 94.8 3 8 A I E -a 54 0A 81 50,-0.2 2,-0.4 -2,-0.1 52,-0.2 -0.961 11.7-168.0-122.9 139.8 76.0 -15.8 97.5 4 9 A I E -a 55 0A 12 50,-2.1 52,-2.7 -2,-0.4 2,-0.3 -0.978 15.6-147.5-124.7 132.1 73.7 -12.9 97.0 5 10 A N E +a 56 0A 97 -2,-0.4 2,-0.3 50,-0.2 52,-0.2 -0.802 20.0 169.4-106.5 149.5 73.2 -10.5 99.9 6 11 A F E -a 57 0A 15 50,-1.9 52,-2.2 -2,-0.3 2,-0.4 -0.960 13.4-160.7-156.4 136.8 70.1 -8.5 100.8 7 12 A T E -a 58 0A 57 -2,-0.3 52,-0.2 50,-0.2 133,-0.1 -0.977 16.9-154.1-123.1 137.0 69.1 -6.4 103.8 8 13 A T S > S+ 0 0 1 50,-2.1 3,-1.9 -2,-0.4 2,-0.4 0.663 70.5 107.2 -73.7 -21.9 65.6 -5.4 104.8 9 14 A A T 3 S- 0 0 37 49,-0.3 -2,-0.1 1,-0.3 49,-0.0 -0.455 103.9 -13.5 -63.7 114.5 67.2 -2.4 106.6 10 15 A G T 3 S+ 0 0 75 -2,-0.4 -1,-0.3 1,-0.2 5,-0.1 0.726 92.9 174.6 64.6 23.8 66.5 0.7 104.5 11 16 A A < - 0 0 18 -3,-1.9 2,-0.3 4,-0.1 -1,-0.2 -0.258 8.6-170.3 -61.9 144.8 65.3 -1.5 101.6 12 17 A T > - 0 0 77 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.811 41.0-100.4-126.3 171.1 63.8 0.4 98.7 13 18 A V H > S+ 0 0 24 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.917 125.2 52.1 -63.1 -31.3 62.0 -0.9 95.6 14 19 A Q H > S+ 0 0 97 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.944 108.8 47.4 -69.8 -41.3 65.3 -0.4 93.7 15 20 A S H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.893 115.1 47.3 -64.9 -36.6 67.4 -2.4 96.2 16 21 A Y H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.909 111.7 50.5 -68.5 -41.2 64.7 -5.1 96.2 17 22 A T H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.925 110.4 49.3 -61.4 -45.4 64.6 -5.1 92.4 18 23 A N H X S+ 0 0 73 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.888 109.5 53.0 -61.3 -41.4 68.3 -5.4 92.1 19 24 A F H X S+ 0 0 8 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.974 111.6 43.6 -58.3 -53.7 68.3 -8.3 94.6 20 25 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.861 112.2 53.5 -62.0 -38.6 65.7 -10.3 92.6 21 26 A R H X S+ 0 0 133 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.928 109.7 49.3 -62.4 -42.4 67.4 -9.5 89.3 22 27 A A H X S+ 0 0 39 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.872 110.4 50.2 -63.9 -39.7 70.7 -10.9 90.8 23 28 A V H >X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 3,-0.6 0.949 111.1 47.8 -64.4 -47.2 69.0 -14.1 92.0 24 29 A R H 3X S+ 0 0 42 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.873 109.0 56.1 -60.1 -40.0 67.4 -14.8 88.6 25 30 A G H 3< S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.798 110.7 42.9 -63.4 -31.4 70.8 -14.2 87.0 26 31 A R H << S+ 0 0 134 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.698 111.6 56.7 -84.2 -25.3 72.4 -16.8 89.2 27 32 A L H < S+ 0 0 2 -4,-1.6 2,-0.3 -5,-0.1 -2,-0.2 0.839 105.8 47.6 -76.8 -37.4 69.5 -19.2 88.7 28 33 A T < - 0 0 28 -4,-1.9 12,-0.1 -5,-0.1 44,-0.0 -0.781 59.5-155.2-110.8 155.0 69.6 -19.4 84.9 29 34 A T - 0 0 105 10,-0.4 -1,-0.1 -2,-0.3 11,-0.1 0.525 37.8-122.1-103.3 -8.4 72.4 -20.0 82.5 30 35 A G S S+ 0 0 56 9,-0.2 3,-0.1 2,-0.2 -2,-0.0 0.402 86.7 109.4 79.4 -2.7 70.9 -18.3 79.4 31 36 A A S S+ 0 0 86 1,-0.2 2,-0.5 8,-0.1 -1,-0.0 0.766 75.7 42.1 -75.7 -25.8 71.3 -21.7 77.6 32 37 A D + 0 0 31 7,-0.3 7,-2.7 2,-0.0 2,-0.4 -0.934 61.3 160.4-134.0 107.5 67.7 -22.5 77.4 33 38 A V E -F 38 0B 79 -2,-0.5 2,-0.4 5,-0.2 3,-0.0 -0.992 13.7-171.4-125.8 137.6 65.0 -19.9 76.6 34 39 A R E > S-F 37 0B 19 3,-2.7 3,-1.6 -2,-0.4 -2,-0.0 -0.964 75.9 -14.9-137.2 110.6 61.6 -21.0 75.4 35 40 A H T 3 S- 0 0 72 -2,-0.4 -1,-0.1 1,-0.3 179,-0.0 0.869 128.9 -57.6 56.7 45.6 59.1 -18.3 74.0 36 41 A E T 3 S+ 0 0 145 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.473 116.3 118.1 59.6 14.4 61.4 -15.8 75.6 37 42 A I E < -F 34 0B 2 -3,-1.6 -3,-2.7 212,-0.0 -1,-0.2 -0.919 65.1-125.9-110.2 122.1 61.0 -17.4 79.0 38 43 A P E -F 33 0B 34 0, 0.0 212,-1.8 0, 0.0 2,-0.4 -0.425 19.2-142.2 -65.6 143.5 64.2 -18.8 80.6 39 44 A V B -g 250 0C 2 -7,-2.7 -10,-0.4 210,-0.2 -7,-0.3 -0.844 15.7-120.5-109.1 138.5 64.2 -22.4 81.7 40 45 A L - 0 0 1 210,-3.2 32,-0.1 -2,-0.4 -12,-0.1 -0.377 46.2 -79.9 -72.0 157.3 65.9 -23.6 84.9 41 46 A P - 0 0 23 0, 0.0 211,-0.4 0, 0.0 2,-0.2 -0.282 48.3-109.1 -59.1 143.0 68.7 -26.2 84.6 42 47 A N - 0 0 58 1,-0.1 4,-0.2 2,-0.1 211,-0.1 -0.530 20.1-136.6 -71.3 138.8 67.5 -29.8 84.2 43 48 A R S > S+ 0 0 88 209,-0.2 3,-1.3 -2,-0.2 2,-0.5 0.811 81.4 90.3 -69.0 -29.9 68.2 -31.8 87.4 44 49 A V T 3 S+ 0 0 116 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 -0.557 104.6 3.1 -77.8 121.2 69.5 -34.8 85.4 45 50 A G T 3 S+ 0 0 77 -2,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.354 91.1 140.3 92.6 -6.7 73.2 -34.5 84.8 46 51 A L < - 0 0 34 -3,-1.3 -1,-0.3 -4,-0.2 2,-0.1 -0.590 53.8-125.6 -71.7 121.3 73.5 -31.3 86.8 47 52 A P > - 0 0 54 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.447 13.7-124.4 -65.3 141.7 76.8 -31.4 88.8 48 53 A I G > S+ 0 0 73 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.757 108.5 67.7 -57.3 -29.6 76.4 -30.8 92.6 49 54 A N G 3 S+ 0 0 97 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.619 108.8 37.4 -67.2 -10.6 78.9 -28.0 92.5 50 55 A Q G < S+ 0 0 107 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.226 92.9 95.5-123.4 18.2 76.4 -26.1 90.4 51 56 A R S < S+ 0 0 15 -3,-1.4 20,-2.6 -4,-0.1 21,-0.4 0.749 80.9 34.9 -85.8 -20.7 73.3 -27.2 92.3 52 57 A F E - B 0 70A 3 -4,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.862 51.4-161.3-134.7 156.9 72.7 -24.4 94.8 53 58 A I E - B 0 69A 3 16,-1.8 16,-2.9 -2,-0.3 2,-0.4 -0.938 22.6-132.8-129.1 155.7 72.9 -20.6 95.3 54 59 A L E -aB 3 68A 20 -52,-3.3 -50,-2.1 -2,-0.3 2,-0.5 -0.920 9.9-161.4-117.0 141.5 73.0 -18.9 98.7 55 60 A V E -aB 4 67A 0 12,-2.4 12,-3.0 -2,-0.4 2,-0.7 -0.973 8.5-159.2-120.7 111.9 71.0 -15.9 99.8 56 61 A E E -aB 5 66A 71 -52,-2.7 -50,-1.9 -2,-0.5 2,-0.4 -0.850 12.9-165.2 -94.4 115.3 72.4 -14.1 102.8 57 62 A L E -aB 6 65A 0 8,-3.0 8,-1.9 -2,-0.7 2,-0.3 -0.888 9.0-180.0-107.5 134.0 69.7 -12.0 104.5 58 63 A S E -aB 7 64A 29 -52,-2.2 -50,-2.1 -2,-0.4 -49,-0.3 -0.895 6.4-162.3-126.3 158.5 70.3 -9.3 107.1 59 64 A N > - 0 0 3 4,-1.5 3,-2.1 -2,-0.3 81,-0.0 -0.745 40.5 -89.3-133.7 177.2 67.9 -7.1 108.9 60 65 A H T 3 S+ 0 0 146 1,-0.3 -1,-0.0 -2,-0.2 80,-0.0 0.840 122.4 62.5 -56.4 -35.6 67.8 -3.9 110.9 61 66 A A T 3 S- 0 0 57 79,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.421 115.3-117.9 -72.4 6.5 68.4 -5.9 114.1 62 67 A E < + 0 0 161 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.745 69.1 138.2 63.5 23.7 71.8 -6.9 112.6 63 68 A L - 0 0 23 -4,-0.0 -4,-1.5 18,-0.0 2,-0.3 -0.769 35.5-159.2 -98.4 145.6 70.9 -10.6 112.5 64 69 A S E +B 58 0A 50 -2,-0.3 18,-0.4 -6,-0.2 2,-0.3 -0.970 15.0 177.3-125.5 156.1 71.7 -12.7 109.5 65 70 A V E -B 57 0A 1 -8,-1.9 -8,-3.0 -2,-0.3 2,-0.5 -0.950 19.0-142.6-151.9 142.1 70.5 -15.9 108.1 66 71 A T E -BC 56 80A 15 14,-2.2 14,-2.2 -2,-0.3 2,-0.3 -0.982 12.5-160.5-118.4 118.4 71.6 -17.7 104.9 67 72 A L E -BC 55 79A 0 -12,-3.0 -12,-2.4 -2,-0.5 2,-0.5 -0.751 10.7-141.0 -94.2 146.2 69.0 -19.6 102.8 68 73 A A E -BC 54 78A 0 10,-2.4 9,-2.9 -2,-0.3 10,-0.8 -0.939 15.4-159.5-108.0 128.5 70.0 -22.2 100.2 69 74 A L E -BC 53 76A 0 -16,-2.9 -16,-1.8 -2,-0.5 2,-0.6 -0.910 16.6-129.6-110.6 135.1 68.1 -22.3 97.0 70 75 A D E >> -B 52 0A 7 5,-2.4 4,-2.2 -2,-0.4 3,-1.1 -0.788 15.1-145.1 -81.9 125.3 68.0 -25.3 94.7 71 76 A V T 34 S+ 0 0 7 -20,-2.6 -1,-0.1 -2,-0.6 -19,-0.1 0.729 92.1 62.0 -65.7 -23.2 68.9 -24.1 91.2 72 77 A T T 34 S+ 0 0 11 -21,-0.4 180,-0.5 1,-0.2 -1,-0.2 0.693 126.1 9.4 -81.7 -14.1 66.5 -26.5 89.4 73 78 A N T <4 S- 0 0 51 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.392 91.8-124.0-143.4 -3.0 63.2 -25.1 91.0 74 79 A A < + 0 0 0 -4,-2.2 2,-0.2 1,-0.2 -3,-0.1 0.601 64.6 139.7 62.1 19.3 64.3 -21.9 92.8 75 80 A Y - 0 0 34 -5,-0.5 -5,-2.4 1,-0.1 2,-0.3 -0.601 60.4-104.1 -95.9 151.1 62.9 -23.2 96.1 76 81 A V E -C 69 0A 2 -2,-0.2 -7,-0.2 -7,-0.2 40,-0.1 -0.551 32.4-179.6 -72.6 126.0 64.4 -22.9 99.5 77 82 A V E - 0 0 23 -9,-2.9 11,-2.3 1,-0.4 2,-0.3 0.659 58.9 -49.0-100.7 -18.9 66.0 -26.1 100.8 78 83 A G E -CD 68 87A 1 -10,-0.8 -10,-2.4 9,-0.3 -1,-0.4 -0.972 54.1-120.5 170.4-174.2 67.2 -25.1 104.2 79 84 A Y E -CD 67 86A 0 7,-2.6 7,-2.4 -2,-0.3 2,-0.4 -0.976 4.5-134.6-154.6 164.6 69.1 -22.4 106.1 80 85 A R E +CD 66 85A 60 -14,-2.2 -14,-2.2 -2,-0.3 2,-0.4 -0.972 17.2 176.2-123.3 129.4 72.0 -21.5 108.3 81 86 A A E > - D 0 84A 1 3,-2.6 3,-2.2 -2,-0.4 -16,-0.1 -0.972 64.7 -54.9-132.4 119.1 71.9 -19.3 111.4 82 87 A G T 3 S- 0 0 41 -2,-0.4 65,-0.0 -18,-0.4 -17,-0.0 -0.240 124.0 -6.6 56.7-110.1 75.1 -19.0 113.3 83 88 A N T 3 S+ 0 0 60 23,-0.1 25,-2.6 -3,-0.1 24,-1.1 0.436 122.1 70.2 -98.1 -6.3 76.3 -22.4 114.2 84 89 A S E < -De 81 108A 2 -3,-2.2 -3,-2.6 23,-0.2 2,-0.3 -0.860 55.1-161.3-120.2 152.4 73.4 -24.5 113.0 85 90 A A E -De 80 109A 0 23,-2.8 25,-2.6 -2,-0.3 2,-0.4 -0.949 8.3-164.5-126.4 144.7 71.9 -25.5 109.7 86 91 A Y E -De 79 110A 15 -7,-2.4 -7,-2.6 -2,-0.3 2,-0.4 -0.994 5.1-167.8-132.3 137.5 68.3 -26.8 109.2 87 92 A F E -De 78 111A 0 23,-1.8 25,-3.2 -2,-0.4 -9,-0.3 -0.965 24.1-116.2-129.1 143.3 67.1 -28.6 106.1 88 93 A F - 0 0 14 -11,-2.3 27,-0.3 -2,-0.4 25,-0.1 -0.415 55.1 -78.3 -70.0 155.8 63.6 -29.5 105.0 89 94 A H - 0 0 104 25,-2.7 27,-0.2 1,-0.1 -1,-0.1 -0.374 52.0-120.7 -55.8 121.3 62.9 -33.2 104.7 90 95 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.329 12.2-149.2 -65.5 137.8 64.4 -34.5 101.5 91 96 A D S S+ 0 0 137 1,-0.1 2,-0.3 -3,-0.1 3,-0.1 0.337 75.5 10.8 -93.3 10.2 61.9 -36.0 99.2 92 97 A N S > S- 0 0 40 1,-0.1 4,-2.2 0, 0.0 5,-0.1 -0.967 80.6-100.0-169.7 169.2 64.3 -38.5 97.6 93 98 A Q H > S+ 0 0 123 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.850 117.1 54.4 -70.5 -37.1 67.8 -39.9 98.0 94 99 A E H > S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.957 113.6 44.9 -60.5 -44.5 69.5 -37.8 95.3 95 100 A D H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.883 110.8 52.3 -64.8 -41.1 68.1 -34.8 97.2 96 101 A A H < S+ 0 0 37 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.923 114.0 45.3 -61.2 -40.9 69.1 -36.1 100.6 97 102 A E H >< S+ 0 0 89 -4,-2.8 3,-1.2 1,-0.2 4,-0.4 0.906 108.3 55.4 -71.7 -38.2 72.6 -36.6 99.2 98 103 A A H >< S+ 0 0 5 -4,-2.8 3,-2.1 1,-0.3 -1,-0.2 0.915 100.6 58.3 -61.7 -42.5 72.9 -33.2 97.5 99 104 A I G >< S+ 0 0 17 -4,-1.9 3,-1.5 1,-0.3 -1,-0.3 0.641 86.5 77.3 -66.3 -10.8 72.2 -31.2 100.7 100 105 A T G < S+ 0 0 65 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.804 87.4 63.5 -68.0 -21.0 75.1 -32.8 102.4 101 106 A H G < S+ 0 0 69 -3,-2.1 3,-0.4 -4,-0.4 2,-0.3 0.557 88.0 90.8 -79.1 -6.8 77.2 -30.4 100.3 102 107 A L S < S- 0 0 1 -3,-1.5 -17,-0.0 1,-0.2 -34,-0.0 -0.661 98.2 -7.8 -96.5 144.7 75.6 -27.3 102.0 103 108 A F S > S+ 0 0 18 -2,-0.3 3,-1.7 1,-0.1 -1,-0.2 0.833 72.3 169.4 43.8 51.6 76.9 -25.5 105.1 104 109 A T T 3 + 0 0 103 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.836 68.8 55.9 -64.2 -27.9 79.5 -28.2 105.6 105 110 A D T 3 S+ 0 0 114 3,-0.0 -1,-0.3 2,-0.0 2,-0.3 0.186 77.8 106.6 -89.8 7.4 81.2 -26.1 108.3 106 111 A V < - 0 0 9 -3,-1.7 -22,-0.2 1,-0.1 3,-0.1 -0.669 66.0-139.7 -84.1 153.8 78.3 -25.5 110.6 107 112 A Q S S+ 0 0 133 -24,-1.1 2,-0.7 -2,-0.3 -23,-0.2 0.875 86.5 46.4 -82.1 -34.2 78.5 -27.5 113.8 108 113 A N E -e 84 0A 56 -25,-2.6 -23,-2.8 -3,-0.1 2,-0.5 -0.896 64.6-179.3-116.7 108.3 74.9 -28.5 114.2 109 114 A R E +e 85 0A 83 -2,-0.7 2,-0.4 -25,-0.2 -23,-0.2 -0.921 7.7 179.3-106.7 124.1 73.1 -29.8 111.1 110 115 A Y E -e 86 0A 106 -25,-2.6 -23,-1.8 -2,-0.5 2,-0.5 -0.988 16.6-155.5-124.8 145.0 69.5 -30.7 111.5 111 116 A T E -e 87 0A 76 -2,-0.4 -23,-0.2 -25,-0.3 -22,-0.1 -0.976 22.1-130.4-121.5 117.9 67.0 -32.1 109.0 112 117 A F - 0 0 19 -25,-3.2 -26,-0.0 -2,-0.5 0, 0.0 -0.219 8.7-132.2 -62.9 160.2 63.3 -31.4 109.7 113 118 A A S S+ 0 0 88 -24,-0.1 2,-0.3 -25,-0.1 -1,-0.1 0.419 91.0 64.7 -91.1 -6.8 60.8 -34.2 109.5 114 119 A F S S- 0 0 23 2,-0.0 -25,-2.7 7,-0.0 2,-0.2 -0.852 80.8-129.1-118.3 153.6 58.6 -32.0 107.4 115 120 A G - 0 0 16 -2,-0.3 6,-0.1 -27,-0.3 -2,-0.1 -0.465 25.8-105.8 -91.9 178.7 59.2 -30.7 104.0 116 121 A G S S+ 0 0 10 -27,-0.2 -40,-0.1 -2,-0.2 2,-0.1 0.166 70.6 125.6 -92.8 15.7 59.0 -27.2 102.7 117 122 A N > - 0 0 87 1,-0.1 4,-2.1 4,-0.0 3,-0.2 -0.454 69.6-114.5 -73.2 154.2 55.7 -27.4 100.6 118 123 A Y H > S+ 0 0 18 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.818 109.4 57.2 -58.1 -39.8 53.0 -24.8 101.5 119 124 A D H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.957 110.8 42.5 -57.3 -50.6 50.4 -27.3 102.7 120 125 A R H > S+ 0 0 99 1,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.941 117.6 48.2 -58.3 -48.2 52.7 -28.7 105.4 121 126 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 6,-0.2 0.864 110.0 49.8 -63.0 -42.5 53.9 -25.2 106.3 122 127 A E H X>S+ 0 0 14 -4,-3.2 5,-1.3 2,-0.2 4,-1.3 0.911 111.1 51.8 -64.0 -40.6 50.4 -23.7 106.5 123 128 A Q H <5S+ 0 0 126 -4,-2.2 3,-0.4 -5,-0.3 -2,-0.2 0.938 112.3 44.5 -60.4 -47.0 49.4 -26.6 108.7 124 129 A L H <5S+ 0 0 33 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.861 115.8 47.4 -67.2 -35.7 52.4 -26.0 111.1 125 130 A A H <5S- 0 0 9 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.624 101.4-134.0 -79.8 -18.0 51.8 -22.2 111.1 126 131 A G T <5S+ 0 0 61 -4,-1.3 2,-0.3 -3,-0.4 -3,-0.2 0.737 76.1 85.8 69.8 21.9 48.1 -22.6 111.8 127 132 A N S - 0 0 80 -2,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.567 31.1-109.4 -94.1 162.7 46.9 -20.0 105.3 129 134 A R G > S+ 0 0 13 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.882 117.7 64.0 -53.6 -41.9 49.0 -17.9 102.8 130 135 A E G 3 S+ 0 0 77 1,-0.3 -1,-0.3 64,-0.1 64,-0.1 0.663 107.3 43.2 -60.8 -13.2 45.9 -15.8 102.2 131 136 A N G < S+ 0 0 99 -3,-2.2 2,-0.6 63,-0.1 -1,-0.3 0.239 91.8 92.3-116.8 10.9 46.1 -14.7 105.9 132 137 A I S < S- 0 0 1 -3,-2.0 2,-0.1 -4,-0.2 61,-0.1 -0.935 74.1-130.0-110.0 118.8 49.9 -14.1 106.2 133 138 A E - 0 0 91 -2,-0.6 2,-0.3 61,-0.2 61,-0.3 -0.436 19.6-156.0 -69.8 143.0 51.0 -10.5 105.6 134 139 A L B +H 193 0D 0 59,-2.0 59,-1.9 -2,-0.1 2,-0.3 -0.863 37.1 95.8-117.8 149.4 53.8 -9.9 103.2 135 140 A G S > S- 0 0 0 -2,-0.3 4,-2.0 57,-0.2 57,-0.1 -0.899 83.7 -68.2 157.9-177.3 56.1 -6.9 103.0 136 141 A N H > S+ 0 0 26 55,-0.4 4,-2.6 -2,-0.3 5,-0.2 0.892 128.6 53.0 -71.4 -37.5 59.4 -5.6 104.2 137 142 A G H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 110.1 46.5 -61.8 -51.3 58.3 -5.5 107.8 138 143 A P H > S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.902 113.7 50.4 -58.3 -39.4 57.1 -9.1 107.8 139 144 A L H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.925 107.0 52.9 -63.7 -45.1 60.4 -10.1 106.1 140 145 A E H X S+ 0 0 38 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.933 112.8 45.7 -55.7 -45.3 62.5 -8.2 108.8 141 146 A E H X S+ 0 0 105 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.872 107.2 57.7 -66.9 -38.8 60.6 -10.2 111.5 142 147 A A H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.892 102.5 54.7 -60.8 -39.3 61.0 -13.5 109.6 143 148 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.902 110.4 45.9 -62.1 -42.2 64.8 -13.1 109.6 144 149 A S H X S+ 0 0 24 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.900 112.1 50.5 -67.4 -43.0 64.8 -12.7 113.4 145 150 A A H X S+ 0 0 13 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.947 113.1 46.4 -61.3 -45.2 62.4 -15.6 113.9 146 151 A L H >X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.2 3,-0.7 0.937 113.8 49.1 -60.8 -48.0 64.6 -17.9 111.7 147 152 A Y H >< S+ 0 0 60 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.929 111.6 48.3 -58.3 -45.3 67.7 -16.7 113.5 148 153 A Y H ><>S+ 0 0 102 -4,-2.8 5,-2.3 1,-0.3 6,-0.9 0.555 93.9 73.2 -74.5 -14.7 66.2 -17.3 117.0 149 154 A Y H X<5S+ 0 0 65 -4,-1.0 3,-1.7 -3,-0.7 -1,-0.3 0.934 91.9 58.5 -63.7 -39.1 65.1 -20.7 116.2 150 155 A S T <<5S+ 0 0 23 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.684 110.8 44.8 -62.4 -10.2 68.8 -21.6 116.4 151 156 A T T < 5S- 0 0 82 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.377 119.1-101.1-114.3 4.7 68.6 -20.3 120.0 152 157 A G T < 5S+ 0 0 65 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.436 95.7 111.6 86.3 2.7 65.4 -21.8 121.4 153 158 A G < + 0 0 51 -5,-2.3 2,-0.5 -6,-0.1 -4,-0.3 0.647 57.6 70.5 -85.9 -13.3 63.7 -18.5 120.8 154 159 A T - 0 0 13 -6,-0.9 2,-0.2 -8,-0.1 -2,-0.1 -0.898 69.8-140.4-116.9 125.0 61.3 -19.4 118.1 155 160 A Q >> - 0 0 129 -2,-0.5 4,-1.9 1,-0.1 3,-1.2 -0.489 29.6-111.4 -74.6 148.5 58.2 -21.5 118.4 156 161 A L H 3> S+ 0 0 52 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.839 114.7 53.7 -47.4 -47.2 57.5 -23.9 115.5 157 162 A P H 3> S+ 0 0 62 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.820 111.7 48.1 -62.3 -26.2 54.3 -22.1 114.2 158 163 A T H <> S+ 0 0 68 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.861 108.6 52.3 -77.8 -43.0 56.4 -18.9 114.0 159 164 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.933 111.4 48.2 -57.3 -46.9 59.2 -20.6 112.2 160 165 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.880 110.8 49.4 -63.5 -43.7 56.7 -22.0 109.6 161 166 A R H X S+ 0 0 88 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.893 110.0 53.9 -61.5 -40.1 55.1 -18.6 109.1 162 167 A S H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.856 107.2 48.7 -63.0 -42.5 58.6 -17.1 108.6 163 168 A F H X S+ 0 0 1 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.913 107.3 56.6 -64.5 -43.1 59.4 -19.6 105.9 164 169 A I H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.898 110.7 44.7 -56.3 -39.3 56.1 -18.9 104.2 165 170 A I H X S+ 0 0 10 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.965 115.1 46.6 -68.4 -51.9 57.1 -15.2 104.1 166 171 A C H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 5,-0.5 0.894 111.2 51.6 -58.7 -43.8 60.7 -15.8 102.9 167 172 A I H X>S+ 0 0 0 -4,-3.2 5,-2.3 1,-0.2 4,-0.5 0.923 113.6 43.0 -64.8 -40.5 59.7 -18.3 100.2 168 173 A Q H <>S+ 0 0 0 -4,-1.6 5,-0.8 -5,-0.3 -1,-0.2 0.888 116.4 46.6 -74.1 -37.1 57.1 -16.0 98.6 169 174 A M H <5S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.679 130.1 20.6 -79.4 -16.0 59.3 -12.9 98.8 170 175 A I H X5S+ 0 0 1 -4,-1.5 4,-1.8 -5,-0.2 -3,-0.2 0.762 131.4 30.4-114.1 -67.6 62.3 -14.6 97.4 171 176 A S H X5S+ 0 0 0 -4,-0.5 4,-1.9 -5,-0.5 -3,-0.2 0.914 125.0 42.8 -64.1 -47.9 61.6 -17.8 95.4 172 177 A E H > S+ 0 0 67 69,-0.7 4,-2.4 -2,-0.5 70,-0.2 0.874 100.1 60.2 -59.3 -35.9 57.7 -10.9 87.5 178 183 A Y H > S+ 0 0 51 68,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.902 106.4 43.0 -56.7 -46.0 54.1 -10.4 88.6 179 184 A I H > S+ 0 0 0 67,-0.4 4,-2.0 -7,-0.3 -6,-0.2 0.879 111.6 53.8 -71.2 -38.8 54.8 -11.5 92.2 180 185 A E H X S+ 0 0 17 -4,-2.3 4,-2.4 -7,-0.4 -2,-0.2 0.901 107.1 54.0 -59.8 -39.2 58.0 -9.4 92.2 181 186 A G H X S+ 0 0 26 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.891 106.4 51.5 -60.5 -43.5 55.7 -6.4 91.1 182 187 A E H X S+ 0 0 13 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.867 110.5 47.9 -61.5 -39.1 53.4 -7.0 94.0 183 188 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.918 107.6 56.2 -69.4 -40.7 56.3 -7.0 96.5 184 189 A R H X S+ 0 0 73 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.882 106.4 50.9 -56.0 -43.0 57.7 -3.8 95.0 185 190 A T H X S+ 0 0 70 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.909 108.0 51.5 -61.9 -43.5 54.4 -2.0 95.6 186 191 A R H <>S+ 0 0 14 -4,-1.5 5,-2.7 1,-0.2 4,-0.5 0.913 114.1 44.8 -60.4 -42.6 54.3 -3.2 99.3 187 192 A I H ><5S+ 0 0 16 -4,-2.3 3,-0.9 3,-0.2 -2,-0.2 0.936 108.9 55.9 -69.0 -46.4 57.9 -1.8 99.7 188 193 A R H 3<5S+ 0 0 121 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.869 121.9 27.3 -54.1 -42.1 57.1 1.5 97.8 189 194 A Y T 3<5S- 0 0 137 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.308 107.1-118.6-106.1 10.9 54.2 2.4 100.1 190 195 A N T < 5 + 0 0 124 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.924 61.1 155.6 48.5 49.6 55.5 0.5 103.2 191 196 A R < - 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