==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-APR-08 3CSR . COMPND 2 MOLECULE: MORPHOGENESIS PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE PHI-29; . AUTHOR Y.XIANG,M.G.ROSSMANN . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.8 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 1 0 0 0 0 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 173 0, 0.0 2,-0.3 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 114.9 -0.7 8.0 25.0 2 2 A V - 0 0 48 18,-0.0 2,-0.5 2,-0.0 47,-0.1 -0.945 360.0-118.2-133.3 159.8 -1.8 10.9 22.8 3 3 A Y + 0 0 86 -2,-0.3 2,-0.4 10,-0.2 48,-0.2 -0.882 30.8 175.8 -96.2 128.7 -4.9 11.6 20.7 4 4 A V + 0 0 56 -2,-0.5 2,-0.3 45,-0.1 45,-0.1 -0.922 27.0 117.8-135.2 109.0 -4.2 12.0 17.0 5 5 A S S S- 0 0 37 -2,-0.4 2,-0.5 2,-0.2 46,-0.3 -0.959 70.3-105.9-160.4 168.4 -7.3 12.5 14.8 6 6 A N S S+ 0 0 41 -2,-0.3 2,-0.3 46,-0.2 52,-0.1 -0.501 89.4 93.0 -99.4 62.5 -9.3 14.6 12.4 7 7 A K S S- 0 0 127 -2,-0.5 2,-0.2 39,-0.1 -2,-0.2 -0.991 85.5-100.4-155.4 140.3 -11.8 15.5 15.1 8 8 A Y - 0 0 116 -2,-0.3 2,-0.2 1,-0.1 39,-0.1 -0.543 44.7-131.6 -71.6 130.9 -12.1 18.3 17.6 9 9 A L - 0 0 10 -2,-0.2 -1,-0.1 37,-0.2 2,-0.1 -0.581 11.6-121.8 -87.1 149.9 -10.9 17.1 21.0 10 10 A T > - 0 0 77 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.283 35.6 -98.3 -78.9 171.0 -12.7 17.6 24.3 11 11 A M H > S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.856 126.5 49.9 -58.5 -34.2 -11.2 19.4 27.2 12 12 A S H > S+ 0 0 94 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.881 110.6 48.6 -72.6 -40.2 -10.2 16.0 28.7 13 13 A E H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 -10,-0.2 0.924 110.5 52.5 -63.3 -43.2 -8.6 14.8 25.5 14 14 A M H X S+ 0 0 8 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.863 103.3 56.7 -60.8 -39.3 -6.7 18.1 25.2 15 15 A K H X S+ 0 0 104 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.873 104.8 52.4 -64.1 -36.0 -5.3 17.9 28.7 16 16 A V H X S+ 0 0 40 -4,-1.3 4,-1.7 -3,-0.2 -2,-0.2 0.968 115.2 41.7 -60.5 -51.1 -3.8 14.5 27.8 17 17 A N H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.903 112.9 53.2 -62.3 -43.2 -2.1 16.0 24.7 18 18 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.918 107.4 50.4 -63.1 -43.7 -1.1 19.2 26.5 19 19 A Q H X S+ 0 0 41 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.916 109.6 52.5 -59.5 -41.1 0.7 17.4 29.3 20 20 A Y H X S+ 0 0 74 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.942 110.2 47.4 -57.7 -48.9 2.6 15.3 26.7 21 21 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.920 110.0 52.9 -58.2 -45.9 3.8 18.5 24.9 22 22 A L H X S+ 0 0 4 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.912 110.6 47.3 -58.3 -47.8 4.9 20.2 28.2 23 23 A N H X S+ 0 0 85 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.936 114.1 47.4 -56.7 -47.6 7.0 17.2 29.1 24 24 A Y H X S+ 0 0 50 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.909 113.8 44.1 -66.3 -47.7 8.6 16.9 25.7 25 25 A L H <>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 3,-0.3 0.771 104.7 63.5 -76.7 -23.2 9.5 20.6 25.2 26 26 A S H ><5S+ 0 0 59 -4,-1.7 3,-1.5 -5,-0.3 -1,-0.2 0.893 99.7 54.5 -60.1 -39.1 10.8 20.9 28.8 27 27 A S H 3<5S+ 0 0 106 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.740 106.9 53.5 -67.0 -21.8 13.5 18.4 27.9 28 28 A N T 3<5S- 0 0 80 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.012 126.7 -93.9-105.2 25.5 14.4 20.7 25.0 29 29 A G T < 5S+ 0 0 28 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.406 75.0 139.0 90.6 0.1 14.9 23.8 27.0 30 30 A W < - 0 0 11 -5,-2.2 -1,-0.2 -8,-0.1 90,-0.2 -0.544 50.2-121.1 -81.2 142.1 11.5 25.6 26.9 31 31 A T > - 0 0 27 88,-2.9 4,-2.3 -2,-0.2 5,-0.2 -0.443 20.8-119.2 -71.4 152.6 10.0 27.3 29.9 32 32 A K H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 116.8 53.5 -58.3 -38.8 6.6 26.2 31.2 33 33 A Q H > S+ 0 0 34 88,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 109.7 46.9 -59.8 -47.9 5.3 29.7 30.5 34 34 A A H > S+ 0 0 0 87,-0.5 4,-2.0 85,-0.2 -2,-0.2 0.872 113.7 48.2 -62.0 -41.2 6.5 29.6 26.9 35 35 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.931 112.5 48.2 -66.9 -42.5 5.0 26.2 26.4 36 36 A C H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.882 107.3 55.0 -71.3 -36.6 1.7 27.2 27.9 37 37 A G H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.933 112.8 44.8 -53.1 -45.6 1.6 30.4 25.7 38 38 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 3,-0.5 0.910 108.7 55.5 -68.4 -43.2 2.0 28.1 22.7 39 39 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.863 101.7 58.2 -55.4 -38.0 -0.6 25.6 24.0 40 40 A G H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.868 110.7 43.4 -61.0 -35.6 -3.2 28.4 24.3 41 41 A N H X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.5 3,-0.2 0.911 110.4 54.6 -73.0 -43.7 -2.6 29.0 20.5 42 42 A M H X>S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 6,-2.0 0.826 102.6 58.4 -60.6 -32.9 -2.7 25.3 19.7 43 43 A Q H X5S+ 0 0 24 -4,-2.1 4,-1.7 4,-0.3 -1,-0.2 0.936 112.3 39.2 -62.1 -45.5 -6.1 24.9 21.4 44 44 A S H <5S+ 0 0 37 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.878 118.6 49.0 -69.0 -39.2 -7.6 27.5 19.1 45 45 A E H <5S- 0 0 36 -4,-2.6 -2,-0.2 22,-0.1 -1,-0.2 0.871 141.4 -16.4 -68.0 -39.6 -5.7 26.2 16.0 46 46 A S H <5S- 0 0 1 -4,-2.4 3,-0.5 21,-0.2 -37,-0.2 0.295 86.9 -99.4-151.2 9.5 -6.5 22.5 16.4 47 47 A T S < - 0 0 0 -3,-0.5 3,-1.5 -7,-0.3 -1,-0.2 -0.929 41.3-162.8-116.2 110.9 -4.7 17.7 17.9 50 50 A P T 3 S+ 0 0 0 0, 0.0 39,-0.3 0, 0.0 -46,-0.1 0.644 91.4 56.2 -66.6 -13.2 -1.7 16.7 15.7 51 51 A G T 3 S+ 0 0 1 -46,-0.3 2,-0.3 -48,-0.2 -47,-0.1 0.444 82.3 118.1 -94.4 1.4 -4.1 14.8 13.4 52 52 A L < - 0 0 2 -3,-1.5 14,-2.5 -6,-0.1 2,-0.3 -0.510 45.6-159.6 -89.3 127.4 -6.4 17.7 12.6 53 53 A W B > -A 65 0A 4 -2,-0.3 3,-2.7 12,-0.2 12,-0.2 -0.761 40.2 -89.7 -97.1 146.2 -6.9 19.2 9.2 54 54 A Q G > S+ 0 0 65 10,-2.7 3,-2.0 -2,-0.3 6,-0.1 -0.300 115.7 2.0 -55.7 132.6 -8.3 22.8 8.7 55 55 A N G 3 S- 0 0 115 1,-0.3 -1,-0.3 -3,-0.0 3,-0.1 0.584 122.3 -81.9 64.7 10.5 -12.2 22.6 8.6 56 56 A L G < S+ 0 0 61 -3,-2.7 2,-1.5 1,-0.2 -1,-0.3 0.758 85.7 154.8 58.7 28.5 -11.7 18.8 9.1 57 57 A D X - 0 0 79 -3,-2.0 3,-1.9 3,-0.1 -1,-0.2 -0.636 36.9-146.7 -86.2 81.7 -11.0 18.7 5.4 58 58 A E T 3 S+ 0 0 126 -2,-1.5 3,-0.1 1,-0.3 -6,-0.1 -0.258 74.2 10.4 -60.4 127.3 -8.9 15.5 5.5 59 59 A G T 3 S+ 0 0 49 1,-0.2 2,-1.4 -2,-0.0 -1,-0.3 0.453 81.1 134.5 87.4 2.5 -6.2 15.4 2.8 60 60 A N X + 0 0 49 -3,-1.9 3,-1.3 1,-0.2 13,-0.3 -0.675 28.0 179.2 -86.0 95.2 -6.4 19.0 1.7 61 61 A T T 3 + 0 0 67 -2,-1.4 13,-2.1 1,-0.3 14,-0.2 0.475 69.3 72.1 -78.5 -1.1 -2.7 19.8 1.7 62 62 A S T 3 S+ 0 0 69 10,-0.2 -1,-0.3 11,-0.2 2,-0.1 0.589 102.0 43.7 -85.4 -14.0 -3.2 23.4 0.5 63 63 A L S < S- 0 0 60 -3,-1.3 10,-2.7 1,-0.2 11,-0.1 -0.403 102.9 -41.9-120.8-160.1 -4.6 24.4 3.8 64 64 A G + 0 0 1 8,-0.2 -10,-2.7 -2,-0.1 2,-0.3 -0.230 48.9 173.0 -75.8 148.3 -3.8 24.0 7.6 65 65 A F B > +AB 53 70A 0 5,-1.1 5,-2.0 -12,-0.2 3,-0.3 -0.985 35.9 1.7-148.9 144.2 -2.7 20.8 9.4 66 66 A G T > 5S- 0 0 0 -14,-2.5 3,-1.5 -2,-0.3 -17,-0.2 -0.153 100.5 -27.6 87.3-171.9 -1.6 19.7 12.8 67 67 A L T 3 5S+ 0 0 0 1,-0.3 -19,-0.3 -19,-0.1 -21,-0.2 0.814 141.9 22.8 -52.9 -46.8 -1.0 21.3 16.2 68 68 A V T 3 5S- 0 0 1 -3,-0.3 -1,-0.3 -23,-0.1 -2,-0.1 0.283 111.5-110.5-103.0 7.8 -0.2 24.8 15.0 69 69 A Q T < 5 - 0 0 16 -3,-1.5 -3,-0.2 1,-0.1 2,-0.1 0.978 33.4-149.0 52.9 64.3 -2.0 24.5 11.6 70 70 A W B < -B 65 0A 13 -5,-2.0 -5,-1.1 -6,-0.1 -1,-0.1 -0.451 23.5-125.3 -54.4 127.7 1.0 24.6 9.3 71 71 A T S S+ 0 0 80 1,-0.3 -7,-0.1 -7,-0.2 -8,-0.1 -1.000 91.6 23.3-140.7 129.9 -0.2 26.2 6.1 72 72 A P S >> S- 0 0 46 0, 0.0 3,-2.0 0, 0.0 4,-0.6 0.653 85.7-147.7 -64.3 141.9 -0.0 25.0 3.4 73 73 A A H 3> S+ 0 0 0 -10,-2.7 4,-2.9 -13,-0.3 3,-0.4 0.804 89.8 73.7 -44.5 -38.9 0.2 21.6 5.0 74 74 A S H 3> S+ 0 0 33 -13,-2.1 4,-3.3 1,-0.2 -1,-0.3 0.768 88.5 58.6 -53.1 -32.0 2.5 20.4 2.2 75 75 A N H <> S+ 0 0 92 -3,-2.0 4,-1.8 -14,-0.2 -1,-0.2 0.954 112.9 38.4 -66.6 -46.6 5.4 22.4 3.5 76 76 A Y H X S+ 0 0 1 -4,-0.6 4,-2.8 -3,-0.4 -2,-0.2 0.927 117.5 50.6 -61.7 -47.4 5.4 20.6 6.8 77 77 A I H X S+ 0 0 20 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.920 110.6 48.9 -60.3 -45.7 4.5 17.3 5.1 78 78 A N H X S+ 0 0 90 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.855 110.7 52.7 -57.0 -42.3 7.4 17.8 2.6 79 79 A W H X S+ 0 0 24 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.946 108.4 49.0 -62.7 -47.5 9.7 18.5 5.6 80 80 A A H <>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 4,-0.5 0.921 110.6 50.0 -57.4 -46.6 8.7 15.3 7.5 81 81 A N H ><5S+ 0 0 101 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.932 108.6 52.7 -58.5 -43.2 9.3 13.1 4.4 82 82 A S H 3<5S+ 0 0 101 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.770 111.7 47.4 -66.6 -23.3 12.7 14.7 3.9 83 83 A Q T 3<5S- 0 0 110 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.413 114.6-116.6 -94.5 -5.2 13.5 13.8 7.5 84 84 A G T < 5S+ 0 0 70 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.752 72.0 135.3 74.5 25.4 12.2 10.3 7.2 85 85 A L < - 0 0 32 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.3 -0.832 63.6-111.4-110.6 144.3 9.5 11.1 9.8 86 86 A P - 0 0 77 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.558 24.8-148.1 -73.2 133.3 5.8 10.2 9.7 87 87 A Y S S+ 0 0 68 -2,-0.3 2,-1.7 1,-0.2 6,-0.1 0.883 87.3 63.3 -74.0 -36.6 3.9 13.5 9.2 88 88 A K S S+ 0 0 83 4,-0.1 2,-0.3 -22,-0.1 -1,-0.2 -0.560 86.7 103.8 -89.1 79.2 0.8 12.6 11.1 89 89 A N S > S- 0 0 55 -2,-1.7 4,-1.8 -39,-0.3 5,-0.2 -0.980 71.2-131.3-166.5 133.9 2.5 12.2 14.4 90 90 A M H > S+ 0 0 6 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.948 108.8 45.2 -60.0 -53.5 2.9 14.1 17.7 91 91 A D H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.870 109.3 56.0 -63.2 -38.6 6.7 13.8 17.9 92 92 A S H > S+ 0 0 2 2,-0.2 4,-1.6 -6,-0.2 -1,-0.2 0.897 110.8 45.3 -56.9 -42.8 7.2 14.7 14.2 93 93 A E H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.889 112.1 50.3 -71.7 -36.2 5.3 17.9 14.7 94 94 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.881 109.3 53.0 -68.8 -35.6 7.1 18.8 17.9 95 95 A K H X S+ 0 0 88 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.852 105.5 54.6 -62.2 -37.2 10.4 18.1 16.0 96 96 A R H X S+ 0 0 28 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.917 107.0 50.5 -62.6 -43.7 9.2 20.6 13.4 97 97 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.945 111.5 47.1 -61.3 -46.3 8.7 23.2 16.1 98 98 A I H X S+ 0 0 30 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.919 111.3 52.2 -58.2 -43.7 12.2 22.6 17.5 99 99 A W H X S+ 0 0 84 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.858 108.3 51.6 -59.3 -40.4 13.6 22.8 13.9 100 100 A E H X>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 4,-0.6 0.914 109.5 48.2 -65.1 -46.1 11.9 26.1 13.4 101 101 A V H ><5S+ 0 0 5 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.934 114.4 48.1 -53.3 -47.5 13.4 27.6 16.6 102 102 A N H 3<5S+ 0 0 99 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.798 120.7 34.2 -68.8 -30.3 16.8 26.3 15.5 103 103 A N H 3<5S- 0 0 97 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.257 106.9-116.8-110.5 11.8 16.7 27.6 11.9 104 104 A N T <<5 + 0 0 108 -3,-0.7 2,-0.2 -4,-0.6 -3,-0.2 0.911 60.9 153.7 46.3 52.0 14.7 30.8 12.5 105 105 A A < + 0 0 24 -5,-2.0 2,-2.7 -6,-0.1 -1,-0.2 -0.666 53.4 5.7-100.4 159.5 11.8 29.7 10.4 106 106 A Q S S+ 0 0 72 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.257 98.1 105.2 73.3 -53.0 8.1 30.7 10.7 107 107 A W - 0 0 14 -2,-2.7 2,-0.5 -7,-0.1 29,-0.2 -0.359 48.1-168.9 -63.9 131.3 8.6 33.4 13.4 108 108 A I - 0 0 77 27,-2.5 2,-1.5 -2,-0.1 3,-0.2 -0.989 25.9-127.1-122.6 126.1 8.4 37.1 12.4 109 109 A N + 0 0 72 -2,-0.5 3,-0.2 1,-0.2 5,-0.1 -0.526 54.6 140.7 -79.1 90.6 9.6 39.5 15.1 110 110 A L S S+ 0 0 92 -2,-1.5 -1,-0.2 3,-0.2 4,-0.1 0.458 72.0 46.6-105.9 -9.1 6.7 41.9 15.4 111 111 A R S S- 0 0 142 2,-0.3 -1,-0.1 -3,-0.2 3,-0.1 -0.014 116.8 -99.5-125.0 24.8 6.7 42.2 19.2 112 112 A D S S+ 0 0 143 1,-0.2 2,-0.3 -3,-0.2 -3,-0.1 0.943 92.5 111.8 46.1 49.0 10.5 42.8 19.8 113 113 A M - 0 0 13 18,-0.1 -2,-0.3 -5,-0.0 -3,-0.2 -0.909 56.5-149.3-145.0 125.8 10.9 39.2 20.8 114 114 A T > - 0 0 54 -2,-0.3 4,-2.5 -5,-0.1 -6,-0.1 -0.455 31.9-109.3 -82.6 165.3 12.8 36.5 18.8 115 115 A F H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.922 120.8 53.3 -61.8 -39.6 11.8 32.9 18.8 116 116 A K H > S+ 0 0 115 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.856 110.1 46.9 -65.8 -36.3 14.9 32.0 20.9 117 117 A E H >4 S+ 0 0 101 1,-0.2 3,-1.0 2,-0.1 4,-0.4 0.919 108.4 58.5 -63.2 -44.5 13.9 34.6 23.5 118 118 A Y H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.902 100.7 51.7 -54.8 -47.1 10.4 33.3 23.5 119 119 A I H 3< S+ 0 0 15 -4,-2.0 -88,-2.9 1,-0.3 -1,-0.2 0.706 114.4 45.2 -71.9 -14.4 11.2 29.7 24.5 120 120 A K T << S+ 0 0 118 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.306 90.0 122.7-102.7 1.8 13.2 31.0 27.5 121 121 A S < - 0 0 15 -3,-1.7 -87,-0.5 -4,-0.4 -88,-0.2 -0.408 43.6-169.4 -80.6 142.2 10.7 33.6 28.6 122 122 A T + 0 0 105 -2,-0.1 -1,-0.1 -89,-0.1 -4,-0.0 0.096 48.1 123.9-113.1 22.7 9.1 33.9 32.0 123 123 A K S S- 0 0 93 1,-0.2 -90,-0.0 2,-0.1 0, 0.0 -0.210 78.6 -69.4 -62.8 171.9 6.5 36.5 31.1 124 124 A T > - 0 0 59 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.258 38.4-119.0 -65.9 151.0 2.9 35.4 31.8 125 125 A P H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.847 117.1 55.6 -56.1 -33.1 1.3 32.6 29.7 126 126 A R H > S+ 0 0 103 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.954 109.4 43.3 -60.5 -51.0 -1.2 35.2 28.6 127 127 A E H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.924 116.3 48.9 -63.3 -41.6 1.4 37.7 27.3 128 128 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.881 107.0 55.3 -66.0 -39.6 3.3 34.8 25.7 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.935 110.2 46.7 -56.8 -47.4 0.1 33.5 24.1 130 130 A M H X S+ 0 0 68 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.882 112.9 48.2 -65.1 -36.3 -0.4 37.0 22.5 131 131 A I H X S+ 0 0 20 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.929 113.5 47.6 -67.1 -45.3 3.3 37.2 21.3 132 132 A F H X>S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-1.8 0.896 110.7 52.4 -64.4 -41.6 3.1 33.7 19.8 133 133 A L H <>S+ 0 0 8 -4,-2.6 5,-3.1 -5,-0.2 -2,-0.2 0.966 117.4 38.0 -54.1 -51.2 -0.3 34.6 18.1 134 134 A A H <5S+ 0 0 15 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.805 125.6 35.0 -73.5 -33.0 1.2 37.7 16.5 135 135 A S H <5S+ 0 0 0 -4,-2.6 -27,-2.5 -5,-0.2 -3,-0.2 0.800 132.0 17.1 -94.8 -35.4 4.7 36.4 15.7 136 136 A Y T <5S+ 0 0 2 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.815 128.7 33.7-104.4 -52.5 4.1 32.7 14.7 137 137 A E T < + 0 0 23 -5,-1.8 -3,-0.2 -4,-0.1 -4,-0.2 0.930 66.5 176.4 -82.0 -47.6 0.5 32.0 14.0 138 138 A R < - 0 0 102 -5,-3.1 -4,-0.1 -6,-0.3 -5,-0.1 0.862 17.8-170.0 45.9 55.9 -0.6 35.2 12.4 139 139 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.215 38.3-102.2 -71.5 166.1 -4.2 34.1 11.5 140 140 A A S S+ 0 0 116 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.916 117.9 52.4 -51.9 -44.2 -6.6 36.1 9.3 141 141 A N - 0 0 87 1,-0.1 -1,-0.2 2,-0.0 -3,-0.0 -0.841 66.9-176.5 -98.6 106.0 -8.4 37.2 12.5 142 142 A P + 0 0 83 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 0.627 62.0 89.5 -77.2 -14.4 -5.8 38.7 14.9 143 143 A N + 0 0 127 1,-0.1 3,-0.1 2,-0.0 -2,-0.0 -0.652 42.9 127.3 -90.8 83.3 -8.4 39.2 17.7 144 144 A Q > + 0 0 24 -2,-1.4 3,-2.5 1,-0.1 4,-0.3 -0.467 15.8 160.7-134.6 64.2 -8.4 36.0 19.6 145 145 A P T >> + 0 0 86 0, 0.0 3,-1.4 0, 0.0 4,-1.4 0.727 67.9 79.5 -58.7 -22.1 -7.9 37.0 23.3 146 146 A E H 3> S+ 0 0 74 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.766 80.1 68.6 -51.0 -30.4 -9.3 33.6 24.1 147 147 A R H <> S+ 0 0 6 -3,-2.5 4,-1.5 1,-0.2 -1,-0.3 0.841 100.1 46.5 -62.8 -35.2 -5.8 32.3 23.3 148 148 A G H <> S+ 0 0 0 -3,-1.4 4,-2.1 -4,-0.3 -1,-0.2 0.870 109.9 52.8 -72.0 -41.2 -4.4 34.0 26.4 149 149 A D H X S+ 0 0 90 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.981 111.7 47.6 -52.9 -53.1 -7.3 32.7 28.6 150 150 A Q H X S+ 0 0 35 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.841 107.2 55.3 -59.5 -37.8 -6.5 29.2 27.4 151 151 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.924 110.8 45.6 -61.2 -45.4 -2.7 29.6 28.0 152 152 A E H X S+ 0 0 53 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.898 108.6 56.9 -63.9 -40.2 -3.5 30.5 31.6 153 153 A Y H X S+ 0 0 100 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.891 111.1 43.5 -57.6 -41.2 -5.9 27.6 31.8 154 154 A W H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.837 109.9 55.6 -74.6 -32.6 -3.1 25.2 30.8 155 155 A Y H < S+ 0 0 85 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.883 114.9 39.7 -65.9 -37.0 -0.6 26.8 33.1 156 156 A K H < S+ 0 0 163 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.853 121.7 40.1 -76.3 -40.4 -2.9 26.3 36.1 157 157 A N H < S+ 0 0 52 -4,-1.9 2,-0.2 -5,-0.2 -2,-0.2 0.578 102.3 72.2 -98.0 -12.8 -4.2 22.8 35.2 158 158 A L < 0 0 8 -4,-1.9 -143,-0.0 1,-0.2 -139,-0.0 -0.592 360.0 360.0 -97.0 166.3 -1.0 21.0 33.9 159 159 A S 0 0 118 -2,-0.2 -1,-0.2 0, 0.0 -140,-0.0 0.801 360.0 360.0-102.9 360.0 2.0 19.8 35.9