==== 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 14-APR-10 3MK9 . COMPND 2 MOLECULE: RICIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RICINUS COMMUNIS; . AUTHOR P.M.LEGLER,J.R.COMPTON,C.B.MILLARD . 173 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 67.1 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 . 8 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 31.8 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 83 0, 0.0 42,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 150.4 9.3 22.8 3.0 2 7 A P - 0 0 69 0, 0.0 42,-2.2 0, 0.0 2,-0.5 -0.324 360.0-143.0 -60.4 138.6 10.5 19.2 3.5 3 8 A I E -a 44 0A 103 40,-0.2 2,-0.4 42,-0.1 42,-0.2 -0.917 13.6-167.9-112.4 130.6 9.1 17.6 6.7 4 9 A I E -a 45 0A 14 40,-2.6 42,-2.1 -2,-0.5 2,-0.3 -0.964 12.4-151.7-117.5 128.8 11.0 15.2 9.0 5 10 A N E +a 46 0A 104 -2,-0.4 2,-0.3 40,-0.2 42,-0.2 -0.726 19.1 165.1-104.8 150.4 9.2 13.2 11.7 6 11 A F E -a 47 0A 17 40,-1.8 42,-1.5 -2,-0.3 2,-0.3 -0.935 11.9-165.6-160.9 135.4 10.3 11.8 15.0 7 12 A T E -a 48 0A 51 -2,-0.3 42,-0.2 40,-0.2 123,-0.1 -0.939 21.1-149.4-125.2 147.3 8.6 10.4 18.1 8 13 A T S > S+ 0 0 0 40,-2.0 3,-1.6 -2,-0.3 2,-0.7 0.613 72.8 105.6 -84.8 -13.9 9.9 9.7 21.6 9 14 A A T 3 S- 0 0 34 39,-0.4 -2,-0.1 1,-0.3 40,-0.0 -0.561 103.1 -8.3 -72.6 109.5 7.3 6.9 21.9 10 15 A G T 3 S+ 0 0 67 -2,-0.7 -1,-0.3 1,-0.2 2,-0.1 0.777 95.3 176.6 74.4 27.4 9.2 3.7 21.6 11 16 A A < - 0 0 32 -3,-1.6 2,-0.3 4,-0.1 -1,-0.2 -0.382 8.3-174.4 -69.2 140.5 12.4 5.5 20.6 12 17 A T > - 0 0 80 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.830 42.3-104.3-128.2 166.4 15.6 3.6 20.1 13 18 A V H > S+ 0 0 119 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.880 123.1 52.3 -59.0 -34.9 19.2 4.6 19.4 14 19 A Q H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 109.0 45.7 -68.6 -44.9 18.6 3.6 15.8 15 20 A S H > S+ 0 0 44 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.894 115.2 48.9 -67.7 -37.2 15.4 5.6 15.2 16 21 A Y H X S+ 0 0 68 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.909 112.3 48.5 -67.4 -41.0 17.0 8.7 16.9 17 22 A T H X S+ 0 0 49 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.889 110.2 49.5 -67.3 -41.2 20.2 8.3 14.7 18 23 A N H X S+ 0 0 72 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.845 110.0 54.8 -66.2 -31.2 18.2 7.9 11.4 19 24 A F H X S+ 0 0 8 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.956 109.7 43.9 -64.9 -51.7 16.3 11.0 12.5 20 25 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.864 111.2 55.1 -62.4 -37.5 19.5 13.1 13.0 21 26 A R H X S+ 0 0 121 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.890 105.6 53.0 -63.0 -38.7 21.0 11.8 9.7 22 27 A A H < S+ 0 0 22 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.901 111.5 45.3 -62.7 -42.7 17.8 12.9 7.8 23 28 A V H >< S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.2 4,-0.4 0.940 111.3 52.3 -66.2 -48.1 18.2 16.5 9.3 24 29 A R H >< S+ 0 0 82 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.866 104.3 58.8 -56.5 -36.8 22.0 16.5 8.5 25 30 A G T 3< S+ 0 0 52 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.626 103.4 50.9 -69.8 -13.2 21.2 15.5 4.9 26 31 A R T < S+ 0 0 109 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.394 92.1 105.1-103.0 2.1 19.0 18.6 4.4 27 32 A L < - 0 0 12 -3,-1.3 35,-0.2 -4,-0.4 34,-0.1 -0.407 42.0-178.7 -83.9 158.0 21.6 21.0 5.7 28 33 A T - 0 0 64 33,-2.6 2,-0.1 -2,-0.1 -3,-0.0 -0.527 22.0-153.3-153.5 71.8 23.9 23.4 3.7 29 44 A V + 0 0 44 34,-0.1 34,-0.2 136,-0.0 33,-0.1 -0.309 24.5 167.5 -56.9 123.2 26.1 25.2 6.2 30 45 A L - 0 0 67 32,-1.4 -2,-0.1 2,-0.2 -1,-0.0 -0.927 44.6-118.2-136.2 159.7 27.1 28.6 5.0 31 46 A P S S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.972 98.8 23.2 -61.4 -57.1 28.8 31.7 6.5 32 47 A N S S- 0 0 104 -3,-0.1 -2,-0.2 1,-0.0 0, 0.0 -0.168 70.2-144.4 -96.3-167.3 25.9 34.1 5.8 33 48 A R S S+ 0 0 76 -2,-0.1 3,-0.4 30,-0.0 29,-0.1 0.469 79.0 74.6-146.7 2.6 22.2 33.3 5.3 34 49 A a S S+ 0 0 74 1,-0.2 4,-0.1 3,-0.0 7,-0.0 0.512 76.4 92.3 -92.4 -5.1 20.3 35.5 2.7 35 50 A G S S+ 0 0 57 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.297 75.9 68.9 -71.8 10.6 22.2 33.6 0.0 36 51 A L S S- 0 0 34 -3,-0.4 5,-0.1 5,-0.0 2,-0.1 -0.992 89.9-106.3-132.6 138.3 19.3 31.1 -0.3 37 52 A P > - 0 0 60 0, 0.0 3,-2.9 0, 0.0 4,-0.1 -0.369 32.1-120.0 -62.5 136.4 15.8 31.5 -1.7 38 53 A I G > S+ 0 0 42 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.726 109.2 70.8 -47.8 -26.6 13.2 31.5 1.0 39 54 A N G 3 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.653 112.5 26.3 -69.6 -13.8 11.6 28.5 -0.6 40 55 A Q G < S+ 0 0 109 -3,-2.9 -1,-0.2 -39,-0.1 -2,-0.2 -0.004 94.3 96.6-137.2 31.2 14.5 26.3 0.5 41 56 A R S < S+ 0 0 4 -3,-1.0 20,-2.4 -5,-0.1 21,-0.4 0.652 79.5 54.1 -95.3 -17.7 15.8 28.1 3.5 42 57 A F E - B 0 60A 4 -4,-0.4 2,-0.4 18,-0.2 18,-0.2 -0.865 55.6-158.4-125.7 156.8 14.0 26.0 6.2 43 58 A I E - B 0 59A 0 16,-2.5 16,-3.2 -2,-0.3 2,-0.5 -0.988 20.1-141.2-126.9 132.9 13.5 22.4 7.3 44 59 A L E -aB 3 58A 21 -42,-2.2 -40,-2.6 -2,-0.4 2,-0.5 -0.850 12.3-167.1-102.0 132.4 10.5 21.4 9.4 45 60 A V E -aB 4 57A 0 12,-2.5 12,-2.8 -2,-0.5 2,-0.7 -0.946 5.9-158.1-120.7 109.3 10.8 18.9 12.2 46 61 A E E -aB 5 56A 76 -42,-2.1 -40,-1.8 -2,-0.5 2,-0.4 -0.778 12.1-168.1 -91.6 116.1 7.6 17.5 13.6 47 62 A L E +aB 6 55A 0 8,-3.2 8,-2.2 -2,-0.7 2,-0.3 -0.835 9.2 174.0-105.6 139.5 8.0 16.1 17.2 48 63 A S E -aB 7 54A 28 -42,-1.5 -40,-2.0 -2,-0.4 -39,-0.4 -0.984 8.2-164.1-140.5 150.2 5.5 13.9 19.0 49 64 A N > - 0 0 0 4,-1.5 3,-1.5 -2,-0.3 81,-0.0 -0.438 43.6 -73.5-120.7-164.1 5.6 12.1 22.4 50 65 A H T 3 S+ 0 0 124 1,-0.3 80,-0.0 -2,-0.1 -43,-0.0 0.765 127.1 56.2 -64.7 -29.3 3.9 9.4 24.4 51 66 A A T 3 S- 0 0 63 79,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.363 115.6-117.8 -84.5 5.4 0.9 11.7 25.2 52 67 A E < + 0 0 153 -3,-1.5 2,-0.2 1,-0.2 -2,-0.1 0.657 65.2 147.4 67.2 16.8 0.5 12.1 21.4 53 68 A L - 0 0 29 18,-0.0 -4,-1.5 2,-0.0 2,-0.4 -0.577 29.6-160.7 -80.6 148.1 1.2 15.8 21.7 54 69 A S E +B 48 0A 37 -6,-0.2 18,-0.4 -2,-0.2 2,-0.3 -0.993 17.9 175.3-139.8 136.4 2.9 17.3 18.6 55 70 A V E -B 47 0A 1 -8,-2.2 -8,-3.2 -2,-0.4 2,-0.6 -0.960 21.3-139.1-132.1 150.6 4.9 20.5 17.9 56 71 A T E -BC 46 70A 19 14,-2.5 14,-2.3 -2,-0.3 2,-0.3 -0.942 13.4-156.2-117.9 117.4 6.8 21.5 14.7 57 72 A L E -BC 45 69A 1 -12,-2.8 -12,-2.5 -2,-0.6 2,-0.6 -0.640 9.7-140.7 -88.0 145.0 10.2 23.2 14.9 58 73 A A E -BC 44 68A 0 10,-2.9 9,-2.6 -2,-0.3 10,-0.8 -0.930 21.0-165.7-107.8 115.6 11.4 25.3 12.0 59 74 A L E -BC 43 66A 0 -16,-3.2 -16,-2.5 -2,-0.6 2,-0.6 -0.843 19.9-127.9-106.2 139.3 15.2 24.9 11.4 60 75 A D E >> -B 42 0A 4 5,-2.4 4,-3.2 -2,-0.4 3,-1.3 -0.729 14.3-147.7 -82.8 120.1 17.4 27.1 9.3 61 76 A V T 34 S+ 0 0 8 -20,-2.4 -33,-2.6 -2,-0.6 -1,-0.1 0.692 92.3 62.7 -63.3 -19.5 19.3 25.0 6.8 62 77 A T T 34 S+ 0 0 3 -21,-0.4 -32,-1.4 -35,-0.2 -1,-0.2 0.673 128.4 3.9 -82.0 -16.8 22.3 27.2 6.9 63 78 A N T <4 S- 0 0 26 -3,-1.3 -2,-0.2 -34,-0.2 -1,-0.1 0.414 90.7-123.7-143.2 -7.3 23.1 26.6 10.5 64 79 A A < + 0 0 0 -4,-3.2 -3,-0.1 1,-0.2 100,-0.1 0.315 63.0 136.8 78.2 -6.4 20.6 24.0 11.7 65 80 A Y - 0 0 65 -5,-0.2 -5,-2.4 -6,-0.1 2,-0.4 -0.300 60.6-102.8 -76.4 156.9 19.3 26.1 14.6 66 81 A V E +C 59 0A 11 -7,-0.2 -7,-0.2 40,-0.2 -1,-0.1 -0.652 32.3 176.9 -79.7 124.5 15.7 26.6 15.6 67 82 A V E - 0 0 27 -9,-2.6 11,-2.1 -2,-0.4 2,-0.3 0.587 66.1 -41.8-100.5 -15.1 14.1 29.9 14.5 68 83 A G E -CD 58 77A 1 -10,-0.8 -10,-2.9 9,-0.3 -1,-0.4 -0.970 55.8-130.3 171.6-178.9 10.7 29.2 15.8 69 84 A Y E -CD 57 76A 0 7,-2.4 7,-2.5 -2,-0.3 2,-0.4 -0.979 8.0-129.1-154.5 167.1 7.9 26.5 16.2 70 85 A R E +CD 56 75A 72 -14,-2.3 -14,-2.5 -2,-0.3 2,-0.4 -0.958 15.5 178.7-123.6 138.9 4.3 25.7 15.8 71 86 A A E > - D 0 74A 1 3,-2.8 3,-1.7 -2,-0.4 2,-0.2 -0.906 64.3 -58.3-139.0 104.8 1.9 24.1 18.4 72 87 A G T 3 S- 0 0 33 -18,-0.4 -1,-0.0 -2,-0.4 65,-0.0 -0.385 122.2 -8.3 62.0-123.0 -1.7 23.7 17.1 73 88 A N T 3 S+ 0 0 87 -2,-0.2 25,-2.6 23,-0.1 2,-0.4 0.204 123.6 78.0 -92.7 16.2 -3.1 27.0 16.1 74 89 A S E < -De 71 98A 14 -3,-1.7 -3,-2.8 23,-0.2 2,-0.4 -0.961 54.7-166.1-130.8 146.6 -0.2 29.1 17.4 75 90 A A E -De 70 99A 0 23,-2.4 25,-2.1 -2,-0.4 2,-0.4 -0.988 3.6-165.3-131.8 138.6 3.3 29.9 16.2 76 91 A Y E -De 69 100A 29 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.4 -0.964 4.0-169.4-125.4 140.4 6.2 31.5 18.1 77 92 A F E -De 68 101A 3 23,-2.1 25,-2.7 -2,-0.4 -9,-0.3 -0.973 23.2-121.2-131.1 142.3 9.5 33.0 16.7 78 93 A F - 0 0 13 -11,-2.1 27,-0.2 -2,-0.4 25,-0.1 -0.384 53.7 -81.6 -71.8 158.2 12.7 34.1 18.3 79 94 A H - 0 0 96 25,-2.8 27,-0.3 1,-0.1 -1,-0.1 -0.466 54.8-119.4 -62.5 122.9 13.6 37.7 17.7 80 95 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.361 7.9-141.2 -68.2 146.0 15.3 37.8 14.2 81 96 A D S S- 0 0 115 -2,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.697 77.2 -4.8 -78.4 -21.1 18.9 39.1 13.9 82 97 A N S > S- 0 0 57 1,-0.0 4,-1.8 0, 0.0 5,-0.1 -0.915 80.3 -84.5-158.1-177.0 18.3 41.0 10.7 83 98 A Q H > S+ 0 0 154 -2,-0.3 4,-2.4 2,-0.2 5,-0.3 0.808 116.0 57.9 -71.3 -33.2 15.8 41.8 7.9 84 99 A a H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.970 114.8 38.3 -60.4 -52.3 16.4 38.8 5.7 85 100 A D H > S+ 0 0 16 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.859 112.1 59.8 -65.4 -37.9 15.4 36.5 8.5 86 101 A A H < S+ 0 0 22 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.955 115.6 31.9 -57.5 -53.1 12.7 38.8 9.7 87 102 A E H >< S+ 0 0 111 -4,-2.4 3,-0.8 1,-0.2 4,-0.2 0.810 115.2 62.7 -75.4 -28.2 10.8 38.7 6.4 88 103 A A H >< S+ 0 0 1 -4,-2.1 3,-2.0 -5,-0.3 -2,-0.2 0.933 98.5 53.9 -61.0 -46.8 11.9 35.1 5.8 89 104 A I G >< S+ 0 0 14 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.651 91.8 73.6 -65.8 -12.9 10.1 33.8 8.9 90 105 A T G < S+ 0 0 74 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.627 89.2 63.1 -74.1 -10.1 6.9 35.4 7.6 91 106 A H G < S+ 0 0 85 -3,-2.0 2,-0.4 -4,-0.2 3,-0.3 0.325 86.8 94.4 -93.8 6.7 6.9 32.5 5.1 92 107 A L S < S- 0 0 2 -3,-1.5 4,-0.1 1,-0.2 -34,-0.0 -0.835 97.4 -7.4-104.8 138.5 6.6 29.9 7.9 93 108 A F S > S+ 0 0 20 -2,-0.4 3,-1.6 1,-0.1 -1,-0.2 0.897 73.6 170.4 48.1 49.7 3.3 28.4 9.2 94 109 A T T 3 S+ 0 0 106 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.750 70.4 56.7 -62.5 -24.4 1.3 30.8 7.0 95 110 A D T 3 S+ 0 0 114 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.461 81.7 111.9 -87.4 -0.9 -2.0 29.0 7.7 96 111 A V < - 0 0 10 -3,-1.6 -23,-0.1 1,-0.1 -22,-0.1 -0.479 62.1-144.2 -75.1 143.7 -1.6 29.3 11.5 97 112 A Q S S+ 0 0 149 -24,-0.3 2,-0.5 -2,-0.2 -23,-0.2 0.934 81.0 45.1 -73.7 -48.4 -4.2 31.6 13.3 98 113 A N E -e 74 0A 83 -25,-2.6 -23,-2.4 2,-0.0 2,-0.4 -0.869 63.8-178.1-106.8 129.2 -2.0 33.1 16.0 99 114 A R E +e 75 0A 105 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.981 4.1 172.9-125.8 133.6 1.6 34.4 15.4 100 115 A Y E -e 76 0A 127 -25,-2.1 -23,-2.1 -2,-0.4 2,-0.5 -0.993 16.7-157.7-144.3 135.0 4.0 35.9 18.0 101 116 A T E -e 77 0A 63 -2,-0.4 -23,-0.2 -25,-0.2 -22,-0.1 -0.946 21.7-132.6-114.0 118.0 7.6 37.0 17.9 102 117 A F - 0 0 6 -25,-2.7 -2,-0.0 -2,-0.5 -26,-0.0 -0.246 11.4-131.6 -63.1 156.3 9.6 37.1 21.2 103 118 A A S S+ 0 0 88 -24,-0.1 2,-0.2 -25,-0.1 -1,-0.1 0.600 89.4 67.6 -83.4 -13.5 11.6 40.2 21.9 104 119 A F S S- 0 0 39 1,-0.1 -25,-2.8 2,-0.0 -2,-0.1 -0.705 83.2-116.6-107.2 160.0 14.6 38.0 22.8 105 120 A G - 0 0 13 -2,-0.2 -1,-0.1 -27,-0.2 -2,-0.1 -0.285 18.4-118.3 -88.6 175.4 16.7 35.7 20.6 106 121 A G + 0 0 24 -27,-0.3 -40,-0.2 4,-0.1 2,-0.1 0.142 65.6 127.6-101.3 20.7 17.2 31.9 20.6 107 122 A N S > S- 0 0 81 1,-0.1 4,-2.3 -42,-0.1 3,-0.4 -0.413 70.9-111.2 -76.9 154.7 20.9 31.8 21.4 108 123 A Y H > S+ 0 0 64 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.865 114.2 55.3 -50.9 -45.7 22.3 29.7 24.3 109 124 A D H > S+ 0 0 135 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.908 111.2 43.9 -58.2 -44.3 23.4 32.7 26.4 110 125 A R H > S+ 0 0 100 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.936 114.7 49.0 -66.5 -46.3 19.9 34.2 26.3 111 126 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.892 109.5 52.0 -60.0 -42.9 18.1 30.9 27.0 112 127 A E H X S+ 0 0 89 -4,-2.8 4,-0.6 -5,-0.2 -1,-0.2 0.924 110.7 48.7 -60.2 -44.1 20.5 30.1 29.9 113 128 A Q H >< S+ 0 0 106 -4,-1.8 3,-1.0 -5,-0.2 -2,-0.2 0.929 113.0 46.6 -62.5 -45.8 19.7 33.5 31.4 114 129 A L H 3< S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.847 104.0 61.8 -66.0 -33.9 15.9 33.0 31.0 115 130 A A H 3X S+ 0 0 0 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.3 0.682 84.2 167.7 -65.7 -15.6 16.1 29.5 32.5 116 131 A G T X< - 0 0 36 -3,-1.0 3,-0.6 -4,-0.6 -1,-0.2 0.015 62.5 -17.6 40.6-133.9 17.4 31.2 35.6 117 132 A N T 34 S+ 0 0 144 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.911 121.0 82.2 -66.6 -45.6 17.5 29.0 38.7 118 133 A L T 34 S+ 0 0 60 -3,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.732 97.8 37.5 -30.6 -44.4 15.2 26.3 37.2 119 134 A R << + 0 0 59 -4,-0.9 2,-0.6 -3,-0.6 3,-0.2 -0.871 52.3 161.3-131.6 109.6 18.0 24.7 35.3 120 135 A E S S- 0 0 153 -2,-0.5 -3,-0.0 1,-0.4 -8,-0.0 -0.964 88.5 -3.1-115.9 104.4 21.6 24.2 36.5 121 136 A N S S- 0 0 146 -2,-0.6 2,-0.4 1,-0.1 -1,-0.4 0.948 87.9-133.6 70.9 88.1 23.0 21.5 34.2 122 137 A I - 0 0 24 -3,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.603 14.6-129.8 -77.4 126.1 20.0 20.4 32.1 123 138 A E - 0 0 131 -2,-0.4 2,-0.2 5,-0.0 -1,-0.1 -0.581 23.4-156.2 -77.8 132.5 19.6 16.7 31.8 124 139 A L + 0 0 71 -2,-0.3 2,-0.3 4,-0.1 3,-0.1 -0.709 35.6 94.6-107.5 161.7 19.2 15.3 28.2 125 140 A G S > S- 0 0 24 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.867 83.7 -63.6 147.4 179.8 17.6 12.1 27.0 126 141 A N H > S+ 0 0 64 -2,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.888 129.5 51.4 -66.0 -38.3 14.3 10.6 25.7 127 142 A G H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.945 110.2 46.1 -64.6 -51.6 12.6 11.4 28.9 128 143 A P H > S+ 0 0 33 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.887 114.0 50.1 -59.8 -37.6 13.6 15.1 29.1 129 144 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.867 106.3 55.8 -67.5 -37.6 12.7 15.5 25.4 130 145 A E H X S+ 0 0 32 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.957 113.6 40.6 -57.0 -51.6 9.3 13.9 26.0 131 146 A E H X S+ 0 0 113 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.829 110.6 58.2 -68.0 -34.3 8.6 16.5 28.7 132 147 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.901 103.1 53.7 -63.5 -40.0 10.1 19.3 26.6 133 148 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.911 109.6 47.5 -61.2 -42.3 7.6 18.6 23.8 134 149 A S H X S+ 0 0 17 -4,-1.4 4,-3.0 1,-0.2 5,-0.2 0.904 110.0 53.2 -65.3 -41.5 4.7 18.9 26.3 135 150 A A H X S+ 0 0 7 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.912 109.4 47.8 -59.7 -45.9 6.1 22.2 27.7 136 151 A L H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.906 114.4 47.9 -63.0 -41.3 6.4 23.8 24.3 137 152 A Y H >< S+ 0 0 65 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.959 112.5 45.4 -65.2 -52.6 2.8 22.7 23.5 138 153 A Y H ><>S+ 0 0 108 -4,-3.0 3,-2.3 1,-0.3 5,-1.8 0.708 94.1 79.1 -66.7 -18.3 1.2 23.9 26.7 139 154 A Y H ><5S+ 0 0 56 -4,-1.4 3,-1.4 1,-0.3 -1,-0.3 0.902 87.5 60.2 -55.2 -38.3 3.0 27.2 26.5 140 155 A S T <<5S+ 0 0 26 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.596 109.6 41.5 -66.7 -10.6 0.4 28.2 23.9 141 156 A T T < 5S- 0 0 105 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.225 120.3 -98.1-121.4 13.7 -2.4 27.7 26.5 142 157 A G T < 5S+ 0 0 62 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.513 92.9 109.5 87.0 7.2 -0.8 29.2 29.6 143 158 A G < + 0 0 62 -5,-1.8 2,-0.5 -8,-0.1 -4,-0.2 0.420 63.9 72.6 -96.5 3.7 0.5 26.1 31.4 144 159 A T - 0 0 11 -6,-0.5 2,-0.2 -5,-0.2 -2,-0.1 -0.972 69.6-144.7-124.1 124.7 4.2 26.7 30.9 145 160 A Q > - 0 0 137 -2,-0.5 4,-2.1 1,-0.1 3,-0.5 -0.482 29.1-109.1 -81.6 155.7 6.2 29.4 32.7 146 161 A L H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.881 115.9 52.0 -52.2 -49.6 9.1 31.2 30.9 147 162 A P H > S+ 0 0 45 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.877 112.7 47.9 -57.7 -36.1 12.0 29.6 32.8 148 163 A T H > S+ 0 0 40 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.869 110.0 51.3 -71.0 -38.1 10.5 26.2 31.9 149 164 A L H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.914 110.0 50.3 -64.5 -43.4 10.0 27.1 28.2 150 165 A A H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.932 109.8 49.3 -60.0 -48.5 13.7 28.3 28.1 151 166 A R H X S+ 0 0 35 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.878 111.2 51.4 -58.4 -39.8 14.9 25.0 29.6 152 167 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.866 106.3 52.8 -67.9 -37.6 12.8 23.1 27.0 153 168 A F H X S+ 0 0 5 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.909 107.8 52.7 -63.0 -42.5 14.2 25.1 24.1 154 169 A I H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.898 108.0 50.5 -61.0 -41.5 17.7 24.2 25.2 155 170 A I H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.940 113.1 44.9 -64.0 -45.7 16.8 20.5 25.3 156 171 A C H X>S+ 0 0 1 -4,-2.1 4,-1.5 1,-0.2 5,-0.7 0.908 115.2 48.5 -64.0 -42.4 15.4 20.5 21.8 157 172 A I H <>S+ 0 0 6 -4,-2.7 5,-3.3 3,-0.2 6,-0.4 0.915 114.6 43.8 -65.1 -45.2 18.3 22.6 20.4 158 173 A Q H <5S+ 0 0 72 -4,-2.6 5,-0.3 -5,-0.2 -2,-0.2 0.884 118.7 43.4 -69.0 -38.9 21.0 20.4 22.0 159 174 A M H <5S+ 0 0 19 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.653 133.3 14.1 -82.3 -15.9 19.3 17.1 21.0 160 175 A I T X5S+ 0 0 1 -4,-1.5 4,-2.2 -5,-0.2 5,-0.2 0.689 129.5 35.3-121.0 -69.0 18.4 18.1 17.5 161 176 A S H > S+ 0 0 18 -6,-0.4 4,-1.7 -5,-0.3 -1,-0.2 0.907 111.3 45.4 -64.3 -41.0 23.4 17.0 17.1 164 179 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.903 112.4 50.2 -68.9 -43.4 22.9 17.5 13.4 165 180 A R H X S+ 0 0 53 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.945 108.4 53.0 -59.0 -51.0 25.5 20.3 13.2 166 181 A F H X S+ 0 0 124 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.910 111.5 45.2 -51.2 -49.5 28.1 18.2 15.0 167 182 A Q H X S+ 0 0 50 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.849 110.8 54.3 -66.0 -33.7 27.6 15.3 12.5 168 183 A Y H X S+ 0 0 56 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.930 111.5 44.2 -64.8 -46.3 27.7 17.6 9.5 169 184 A I H < S+ 0 0 81 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.863 111.9 50.9 -67.9 -38.4 31.1 19.1 10.6 170 185 A E H >< S+ 0 0 105 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.711 103.7 63.3 -72.2 -18.4 32.6 15.7 11.4 171 186 A G H 3< S+ 0 0 48 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.910 102.6 45.9 -70.5 -42.6 31.5 14.6 8.0 172 187 A E T 3< 0 0 126 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.1 -0.057 360.0 360.0 -89.7 32.3 33.7 17.2 6.3 173 188 A M < 0 0 183 -3,-1.0 -1,-0.2 -5,-0.1 -2,-0.1 0.129 360.0 360.0 40.8 360.0 36.5 16.1 8.6