==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, LYASE/DNA 25-OCT-06 2NOE . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.T.RADOM,A.BANERJEE,G.L.VERDINE . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 66.9 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 . 28 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 1.3 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 . 1 0.3 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 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 1 0 1 1 2 1 3 0 1 1 2 0 0 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 . 0 1 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A S 0 0 101 0, 0.0 9,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.8 28.8 -12.7 36.7 2 10 A E + 0 0 151 4,-0.0 2,-0.2 73,-0.0 4,-0.1 0.626 360.0 55.2 -85.8 -14.6 25.1 -13.2 37.5 3 11 A F S S+ 0 0 174 2,-0.1 160,-0.1 160,-0.1 0, 0.0 -0.661 86.5 34.5-115.0 170.8 25.3 -10.4 40.0 4 12 A G S S- 0 0 10 -2,-0.2 2,-0.2 158,-0.2 158,-0.0 -0.035 104.0 -34.4 76.1 175.0 26.4 -6.7 39.9 5 13 A H S S- 0 0 23 158,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.472 70.7-121.8 -69.3 138.3 25.9 -4.3 37.0 6 14 A R - 0 0 29 -2,-0.2 2,-0.3 -4,-0.1 37,-0.1 -0.357 20.9-159.2 -78.4 160.3 26.3 -6.1 33.6 7 15 A T > - 0 0 37 1,-0.1 4,-1.8 -2,-0.1 8,-0.1 -0.921 31.3-114.4-132.6 156.4 28.8 -5.1 30.9 8 16 A L T 4 S+ 0 0 50 -2,-0.3 7,-0.1 1,-0.2 6,-0.1 0.890 116.3 49.5 -60.3 -38.1 28.5 -6.0 27.2 9 17 A A T 4 S+ 0 0 88 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.930 111.5 45.1 -66.9 -49.1 31.6 -8.2 27.5 10 18 A S T 4 S+ 0 0 58 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.907 124.1 26.8 -66.8 -47.0 30.5 -10.2 30.6 11 19 A T >< + 0 0 19 -4,-1.8 3,-2.6 1,-0.2 4,-0.3 -0.367 69.4 163.8-118.0 57.1 26.9 -11.1 29.8 12 20 A P G > S+ 0 0 82 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.795 71.7 57.2 -36.5 -52.9 26.8 -11.1 25.9 13 21 A A G 3 S+ 0 0 91 1,-0.3 64,-0.3 64,-0.0 -5,-0.0 0.643 99.2 61.6 -61.8 -15.7 23.5 -13.0 25.6 14 22 A L G < S+ 0 0 31 -3,-2.6 55,-0.4 -6,-0.1 2,-0.3 0.450 88.2 85.6 -93.9 1.6 21.6 -10.4 27.7 15 23 A W < - 0 0 22 -3,-1.7 2,-0.3 -4,-0.3 53,-0.2 -0.805 52.0-169.7-107.3 146.0 22.1 -7.4 25.5 16 24 A A E -A 67 0A 19 51,-2.6 51,-3.4 -2,-0.3 2,-0.3 -0.950 17.5-137.1-126.1 146.5 20.1 -6.3 22.5 17 25 A S E -A 66 0A 59 -2,-0.3 49,-0.2 49,-0.2 43,-0.0 -0.700 9.4-157.5-110.4 160.8 21.2 -3.5 20.1 18 26 A I E -A 65 0A 7 47,-1.3 47,-2.2 -2,-0.3 2,-0.2 -0.997 35.5-109.5-132.7 123.6 19.5 -0.6 18.4 19 27 A P E +A 64 0A 100 0, 0.0 45,-0.2 0, 0.0 44,-0.0 -0.380 60.8 142.2 -57.0 119.7 21.0 0.8 15.2 20 28 A C - 0 0 5 43,-2.0 41,-0.2 -2,-0.2 2,-0.1 -0.742 39.6-143.2-165.8 109.8 22.4 4.2 16.3 21 29 A P >> - 0 0 34 0, 0.0 3,-2.7 0, 0.0 4,-1.3 -0.452 27.8-117.0 -76.0 149.9 25.6 5.9 15.1 22 30 A R T 34 S+ 0 0 67 40,-1.9 41,-0.1 1,-0.3 40,-0.1 0.708 115.8 67.7 -58.7 -16.1 27.7 7.9 17.6 23 31 A S T 34 S+ 0 0 49 39,-0.3 96,-1.2 1,-0.2 -1,-0.3 0.735 105.4 41.3 -75.3 -20.2 26.9 10.9 15.3 24 32 A E T <4 S+ 0 0 23 -3,-2.7 2,-0.3 1,-0.3 -2,-0.2 0.663 130.1 13.4 -96.7 -23.2 23.3 10.6 16.4 25 33 A L < - 0 0 0 -4,-1.3 2,-0.5 95,-0.1 -1,-0.3 -0.894 48.1-176.2-161.5 127.5 24.0 9.9 20.1 26 34 A R >> - 0 0 43 93,-2.0 3,-2.2 -2,-0.3 4,-0.9 -0.915 12.6-163.8-123.2 98.7 27.0 10.1 22.5 27 35 A L H >> S+ 0 0 1 -2,-0.5 4,-1.9 1,-0.3 3,-0.9 0.866 88.8 57.5 -49.2 -44.2 25.9 8.8 25.9 28 36 A D H 34 S+ 0 0 62 1,-0.3 -1,-0.3 2,-0.2 13,-0.0 0.631 110.5 44.7 -66.3 -13.1 28.8 10.4 27.7 29 37 A L H <4 S+ 0 0 6 -3,-2.2 -1,-0.3 90,-0.2 -2,-0.2 0.535 122.1 34.5-106.9 -10.0 27.7 13.8 26.4 30 38 A V H X< S+ 0 0 0 -4,-0.9 3,-1.4 -3,-0.9 5,-0.4 0.809 110.7 52.2-107.4 -56.0 24.0 13.5 27.1 31 39 A L T 3< S+ 0 0 2 -4,-1.9 8,-0.4 1,-0.3 3,-0.3 0.809 116.2 36.5 -58.4 -36.6 23.5 11.5 30.3 32 40 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.285 93.4 93.8-101.5 17.3 25.8 13.4 32.7 33 41 A S S < S- 0 0 7 -3,-1.4 -2,-0.1 3,-0.1 4,-0.1 0.090 104.3 -98.0 -96.2 23.7 25.0 16.8 31.2 34 42 A A S S+ 0 0 11 2,-0.4 3,-0.2 -3,-0.3 -3,-0.1 0.860 98.3 105.3 65.5 39.8 22.2 17.9 33.6 35 43 A Q S S+ 0 0 11 1,-0.6 2,-0.4 -5,-0.4 -4,-0.1 0.688 99.3 12.5-102.0 -59.7 19.2 16.9 31.4 36 44 A S - 0 0 2 -6,-0.4 -1,-0.6 -5,-0.2 -2,-0.4 -0.943 66.9-162.0-114.2 137.9 18.5 13.9 33.6 37 45 A F S S+ 0 0 9 -2,-0.4 113,-0.1 -3,-0.2 -1,-0.1 0.272 74.1 81.5-101.5 13.9 20.4 13.6 36.9 38 46 A R + 0 0 38 12,-0.1 2,-0.4 -7,-0.1 12,-0.4 0.219 62.9 94.5-108.7 16.3 19.7 9.9 37.3 39 47 A W - 0 0 9 -8,-0.4 2,-0.4 -3,-0.3 10,-0.2 -0.882 48.0-170.9-109.8 141.0 22.3 8.1 35.2 40 48 A R E -B 48 0A 67 8,-2.0 8,-2.5 -2,-0.4 2,-1.8 -0.990 28.0-133.5-131.7 137.8 25.6 6.7 36.5 41 49 A E E + 0 0 96 -2,-0.4 6,-0.2 6,-0.2 4,-0.1 -0.584 34.1 171.2 -85.6 76.3 28.6 5.3 34.7 42 50 A Q E S+ 0 0 82 -2,-1.8 -1,-0.2 4,-0.3 5,-0.1 0.842 71.5 17.4 -57.2 -36.9 28.8 2.3 37.1 43 51 A S E > S-B 46 0A 22 3,-1.0 3,-2.8 -3,-0.2 -1,-0.1 -0.972 114.0 -67.9-133.3 148.5 31.5 0.6 34.9 44 52 A P T 3 S- 0 0 110 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.029 117.9 -5.5 -39.9 126.3 33.5 2.4 32.1 45 53 A A T 3 S+ 0 0 54 1,-0.1 15,-0.5 -4,-0.1 2,-0.5 0.528 110.1 110.0 63.6 8.8 31.4 3.4 29.2 46 54 A H E < -BC 43 59A 23 -3,-2.8 -3,-1.0 13,-0.1 2,-0.5 -0.964 49.2-166.7-117.7 120.7 28.3 1.7 30.7 47 55 A W E - C 0 58A 18 11,-3.3 11,-3.3 -2,-0.5 2,-0.4 -0.896 4.4-172.1-110.6 129.7 25.5 3.9 32.0 48 56 A S E +BC 40 57A 1 -8,-2.5 -8,-2.0 -2,-0.5 2,-0.3 -0.912 21.7 120.2-121.8 149.6 22.7 2.5 34.2 49 57 A G E - C 0 56A 1 7,-2.1 7,-2.8 -2,-0.4 2,-0.5 -0.980 58.9 -59.9-179.8-176.3 19.5 4.1 35.4 50 58 A V E + C 0 55A 18 -12,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.756 47.9 163.6 -95.0 129.8 15.7 4.0 35.5 51 59 A L E > S- C 0 54A 10 3,-2.9 3,-0.7 -2,-0.5 35,-0.1 -0.942 71.2 -3.8-147.7 119.8 13.8 4.2 32.3 52 60 A A T 3 S- 0 0 57 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.900 128.8 -60.3 64.0 41.2 10.1 3.2 31.8 53 61 A D T 3 S+ 0 0 130 1,-0.2 2,-0.3 116,-0.1 -1,-0.2 0.634 120.1 92.5 61.6 20.8 10.0 2.1 35.4 54 62 A Q E < S-C 51 0A 47 -3,-0.7 -3,-2.9 17,-0.1 2,-0.4 -0.940 79.7-106.3-136.1 158.3 12.8 -0.6 35.0 55 63 A V E +CD 50 70A 1 15,-1.0 15,-2.4 -2,-0.3 2,-0.3 -0.705 41.2 179.9 -88.4 135.7 16.5 -0.4 35.5 56 64 A W E -CD 49 69A 0 -7,-2.8 -7,-2.1 -2,-0.4 2,-0.4 -0.893 23.0-151.1-131.3 163.1 18.7 -0.4 32.4 57 65 A T E -CD 48 68A 2 11,-1.7 11,-1.4 -2,-0.3 2,-0.4 -0.996 20.3-168.4-132.2 131.7 22.4 -0.3 31.5 58 66 A L E +CD 47 67A 0 -11,-3.3 -11,-3.3 -2,-0.4 2,-0.3 -0.964 13.3 161.7-127.5 143.3 23.3 1.3 28.2 59 67 A T E -CD 46 66A 8 7,-2.1 7,-3.0 -2,-0.4 2,-0.4 -0.978 20.2-141.7-153.2 155.0 26.6 1.3 26.3 60 68 A Q E - D 0 65A 39 -15,-0.5 5,-0.2 -2,-0.3 2,-0.2 -0.939 12.5-164.8-135.3 153.7 27.6 2.0 22.8 61 69 A T - 0 0 59 3,-2.5 -39,-0.1 -2,-0.4 5,-0.0 -0.450 56.4 -81.2-108.5-175.0 29.9 0.9 19.9 62 70 A E S S+ 0 0 103 1,-0.2 -40,-1.9 -2,-0.2 -39,-0.3 0.854 127.3 14.5 -63.1 -34.4 30.5 3.1 16.8 63 71 A E S S+ 0 0 109 -42,-0.2 -43,-2.0 -41,-0.1 2,-0.4 0.438 119.8 66.6-120.3 -1.0 27.3 2.0 15.1 64 72 A Q E -A 19 0A 55 -45,-0.2 -3,-2.5 -47,-0.0 2,-0.7 -0.938 57.2-149.1-130.6 147.6 25.2 0.4 17.9 65 73 A L E -AD 18 60A 0 -47,-2.2 -47,-1.3 -2,-0.4 2,-0.5 -0.938 27.5-151.8-108.2 107.9 23.5 1.3 21.1 66 74 A H E -AD 17 59A 26 -7,-3.0 -7,-2.1 -2,-0.7 2,-0.3 -0.722 15.7-172.8 -88.0 129.3 23.6 -1.8 23.3 67 75 A C E +AD 16 58A 0 -51,-3.4 -51,-2.6 -2,-0.5 2,-0.3 -0.928 13.2 175.6-125.9 145.8 20.8 -2.2 25.9 68 76 A T E - D 0 57A 0 -11,-1.4 -11,-1.7 -2,-0.3 2,-0.3 -0.994 13.7-153.6-145.9 141.1 20.1 -4.6 28.7 69 77 A V E - D 0 56A 1 7,-0.4 2,-0.6 -55,-0.4 7,-0.4 -0.924 10.8-155.1-124.8 146.7 17.2 -4.6 31.3 70 78 A Y E D 0 55A 18 -15,-2.4 -15,-1.0 -2,-0.3 91,-0.0 -0.922 360.0 360.0-117.8 101.8 16.8 -5.9 34.8 71 79 A R 0 0 96 -2,-0.6 3,-0.1 -17,-0.1 -17,-0.1 -0.255 360.0 360.0 -81.4 360.0 13.1 -6.6 35.5 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 83 A S 0 0 147 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.6 12.0 -12.6 36.5 74 84 A Q - 0 0 84 -3,-0.1 -3,-0.0 2,-0.1 0, 0.0 0.402 360.0-101.0 126.1 90.0 14.5 -14.7 34.5 75 85 A A + 0 0 70 -73,-0.1 2,-0.3 -4,-0.1 -5,-0.1 -0.001 58.8 156.7 -36.3 120.5 17.4 -12.8 33.0 76 86 A S - 0 0 47 -7,-0.4 -7,-0.4 -62,-0.1 -62,-0.1 -0.966 46.7 -89.2-147.2 161.1 16.7 -12.3 29.3 77 87 A R - 0 0 36 -2,-0.3 -62,-0.2 -64,-0.3 -9,-0.1 -0.326 59.4 -88.5 -67.4 154.4 17.7 -9.9 26.5 78 88 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 -0.260 45.0-124.9 -61.4 155.3 15.4 -6.9 26.1 79 89 A T > - 0 0 56 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.628 22.7-105.2-100.2 162.3 12.4 -7.3 23.8 80 90 A P H > S+ 0 0 103 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.859 121.8 52.2 -51.8 -39.5 11.5 -5.2 20.8 81 91 A D H >> S+ 0 0 139 2,-0.2 4,-1.0 1,-0.2 3,-0.6 0.966 112.4 43.1 -61.5 -54.6 8.7 -3.6 22.8 82 92 A E H 3> S+ 0 0 33 1,-0.3 4,-1.0 2,-0.2 3,-0.3 0.832 109.8 58.6 -60.8 -34.1 11.0 -2.6 25.7 83 93 A L H 3X S+ 0 0 25 -4,-2.7 4,-2.2 1,-0.2 -1,-0.3 0.840 99.0 58.4 -65.6 -32.0 13.6 -1.5 23.2 84 94 A E H S+ 0 0 60 -4,-2.2 5,-2.4 1,-0.2 6,-0.2 0.911 112.5 46.3 -55.2 -42.2 14.1 4.6 21.3 88 98 A K H ><5S+ 0 0 98 -4,-2.8 3,-1.0 3,-0.2 -1,-0.2 0.845 108.4 55.3 -69.7 -35.8 11.3 6.9 22.6 89 99 A Y H 3<5S+ 0 0 20 -4,-1.7 35,-2.9 1,-0.2 -1,-0.2 0.902 115.1 38.8 -64.7 -40.8 13.4 8.1 25.6 90 100 A F T 3<5S- 0 0 0 -4,-2.3 -1,-0.2 33,-0.2 -2,-0.2 0.247 106.6-129.7 -92.8 12.8 16.2 9.2 23.3 91 101 A Q T X 5 + 0 0 20 -3,-1.0 3,-1.6 -5,-0.2 -3,-0.2 0.873 39.6 174.1 38.7 53.5 13.7 10.5 20.7 92 102 A L T 3 < + 0 0 21 -5,-2.4 -1,-0.1 1,-0.3 4,-0.1 0.602 63.5 74.4 -66.1 -14.5 15.6 8.6 18.0 93 103 A D T 3 S+ 0 0 136 -6,-0.2 2,-0.6 2,-0.1 -1,-0.3 0.696 81.6 85.6 -71.8 -16.3 13.1 9.4 15.2 94 104 A V S < S- 0 0 29 -3,-1.6 2,-0.8 -4,-0.1 3,-0.1 -0.774 82.7-137.9 -87.3 118.0 14.6 12.8 15.3 95 105 A T > - 0 0 70 -2,-0.6 4,-1.2 1,-0.2 3,-0.2 -0.684 14.4-167.1 -80.2 112.6 17.7 12.8 13.0 96 106 A L H > S+ 0 0 0 -2,-0.8 4,-3.0 1,-0.2 5,-0.3 0.840 84.5 61.5 -69.5 -33.2 20.4 14.8 14.8 97 107 A A H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.876 103.4 51.3 -60.5 -37.7 22.6 15.0 11.7 98 108 A Q H > S+ 0 0 136 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 112.4 45.9 -67.6 -38.3 19.8 17.0 10.0 99 109 A L H X S+ 0 0 25 -4,-1.2 4,-3.0 2,-0.2 5,-0.3 0.948 112.1 48.9 -70.1 -48.6 19.5 19.4 12.9 100 110 A Y H X S+ 0 0 25 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.913 110.2 53.6 -56.1 -44.6 23.3 19.9 13.3 101 111 A H H X S+ 0 0 128 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.938 112.0 44.0 -56.4 -49.0 23.5 20.6 9.6 102 112 A H H X S+ 0 0 85 -4,-1.8 4,-1.4 2,-0.2 3,-0.3 0.955 115.9 45.0 -63.4 -51.8 20.8 23.2 9.8 103 113 A W H X S+ 0 0 1 -4,-3.0 4,-1.3 1,-0.2 3,-0.5 0.927 113.0 52.7 -58.2 -43.9 22.1 25.0 12.9 104 114 A G H < S+ 0 0 4 -4,-3.2 7,-0.3 -5,-0.3 -1,-0.2 0.843 105.0 57.1 -60.0 -33.2 25.6 24.8 11.5 105 115 A S H < S+ 0 0 80 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.816 115.9 32.6 -67.8 -35.0 24.3 26.5 8.3 106 116 A V H < S+ 0 0 71 -4,-1.4 2,-0.3 -3,-0.5 -1,-0.2 0.455 121.4 49.3-101.7 -5.0 22.9 29.6 10.0 107 117 A D X - 0 0 11 -4,-1.3 4,-1.9 -5,-0.2 3,-0.4 -0.791 57.5-170.0-142.5 97.8 25.4 29.8 12.9 108 118 A S H > S+ 0 0 88 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.844 91.1 52.8 -52.1 -41.1 29.2 29.7 12.1 109 119 A H H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 105.7 52.9 -66.3 -37.8 30.1 29.4 15.8 110 120 A F H > S+ 0 0 0 -3,-0.4 4,-3.4 -7,-0.2 -1,-0.2 0.902 105.0 59.3 -61.3 -38.7 27.7 26.4 16.3 111 121 A Q H X S+ 0 0 98 -4,-1.9 4,-1.1 -7,-0.3 -2,-0.2 0.932 104.7 46.9 -52.3 -54.4 29.5 24.9 13.4 112 122 A E H >X S+ 0 0 128 -4,-1.7 4,-0.7 1,-0.2 3,-0.7 0.931 117.5 41.9 -56.3 -51.0 32.9 25.0 15.1 113 123 A V H >X S+ 0 0 27 -4,-1.9 4,-1.6 1,-0.2 3,-0.9 0.892 106.8 64.2 -64.1 -40.4 31.5 23.5 18.4 114 124 A A H 3< S+ 0 0 8 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.740 95.5 58.6 -56.9 -27.6 29.4 21.0 16.5 115 125 A Q H << S+ 0 0 159 -4,-1.1 3,-0.3 -3,-0.7 -1,-0.2 0.844 110.8 40.1 -74.1 -31.9 32.5 19.2 15.1 116 126 A K H << S+ 0 0 70 -3,-0.9 2,-0.4 -4,-0.7 -2,-0.2 0.705 119.2 46.5 -88.7 -20.8 33.9 18.5 18.5 117 127 A F S < S+ 0 0 44 -4,-1.6 3,-0.5 3,-0.0 -1,-0.2 -0.629 71.8 166.2-126.2 77.4 30.6 17.6 20.2 118 128 A Q + 0 0 83 -2,-0.4 -94,-0.1 -3,-0.3 -95,-0.1 -0.307 56.9 32.2 -80.8 168.3 28.5 15.2 18.1 119 129 A G + 0 0 0 -96,-1.2 -93,-2.0 1,-0.2 2,-1.0 0.669 67.0 147.3 59.8 23.5 25.5 13.3 19.3 120 130 A V + 0 0 1 -3,-0.5 2,-0.2 -95,-0.2 -1,-0.2 -0.809 23.9 158.3 -91.3 104.2 24.2 15.7 21.9 121 131 A R - 0 0 1 -2,-1.0 2,-0.4 -95,-0.1 -30,-0.1 -0.686 41.6 -97.0-118.3 176.0 20.4 15.2 21.7 122 132 A L - 0 0 1 -2,-0.2 2,-0.2 -31,-0.1 181,-0.1 -0.788 28.2-133.3-100.4 132.4 17.5 15.8 24.0 123 133 A L - 0 0 0 -2,-0.4 2,-1.0 -93,-0.1 -33,-0.2 -0.545 16.7-129.4 -78.4 148.0 16.0 13.2 26.3 124 134 A R - 0 0 54 -35,-2.9 124,-0.2 -2,-0.2 2,-0.1 -0.840 41.8-168.0 -98.3 96.8 12.2 12.9 26.3 125 135 A Q - 0 0 2 122,-3.2 -89,-0.0 -2,-1.0 3,-0.0 -0.422 26.1-100.5 -93.0 162.7 11.5 13.0 30.1 126 136 A D > - 0 0 75 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.592 32.2-130.0 -76.0 134.6 8.7 12.3 32.4 127 137 A P H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.893 102.5 47.5 -53.5 -49.4 7.0 15.5 33.6 128 138 A I H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.962 115.1 43.9 -62.2 -52.4 7.0 14.8 37.3 129 139 A E H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 117.5 47.0 -57.5 -44.4 10.6 13.7 37.5 130 140 A C H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.899 111.2 52.1 -64.3 -41.9 11.6 16.6 35.3 131 141 A L H X S+ 0 0 0 -4,-2.9 4,-1.0 -5,-0.2 -2,-0.2 0.953 117.8 34.8 -61.6 -52.1 9.6 19.1 37.3 132 142 A F H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.826 113.6 57.2 -76.7 -30.1 11.0 18.2 40.7 133 143 A S H < S+ 0 0 0 -4,-2.5 3,-0.4 -5,-0.3 4,-0.4 0.958 112.6 42.5 -64.4 -46.3 14.5 17.4 39.5 134 144 A F H X S+ 0 0 7 -4,-2.0 4,-0.6 -5,-0.2 3,-0.3 0.705 103.0 63.6 -74.7 -18.5 14.8 20.9 38.1 135 145 A I H >< S+ 0 0 0 -4,-1.0 3,-0.6 1,-0.2 -1,-0.2 0.860 105.5 51.1 -68.0 -29.9 13.2 22.6 41.0 136 146 A C T 3< S+ 0 0 0 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.651 98.3 68.3 -76.8 -16.6 16.3 21.2 42.7 137 147 A S T >4 + 0 0 17 -4,-0.4 3,-1.0 -3,-0.3 -1,-0.2 0.659 69.7 116.0 -80.4 -16.5 18.6 22.7 40.1 138 148 A S T << S- 0 0 26 -3,-0.6 3,-0.1 -4,-0.6 56,-0.1 -0.292 91.9 -10.1 -62.0 130.4 18.1 26.4 41.0 139 149 A N T 3 S+ 0 0 139 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.922 117.6 108.3 49.4 48.8 21.1 28.4 42.3 140 150 A N < - 0 0 36 -3,-1.0 2,-0.4 4,-0.0 -1,-0.2 -0.923 68.9-111.8-148.2 168.9 22.9 25.0 42.6 141 151 A N >> - 0 0 92 -2,-0.3 4,-2.8 -3,-0.1 3,-0.7 -0.882 28.7-117.8-112.5 142.8 25.7 22.9 41.0 142 152 A I H 3> S+ 0 0 51 -2,-0.4 4,-2.6 1,-0.3 5,-0.1 0.761 111.9 54.7 -43.3 -42.1 25.2 19.7 39.1 143 153 A A H 3> S+ 0 0 79 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.941 114.8 40.3 -61.8 -46.8 27.2 17.6 41.5 144 154 A R H <> S+ 0 0 95 -3,-0.7 4,-2.5 2,-0.2 3,-0.3 0.926 113.5 53.8 -67.1 -46.4 25.0 18.7 44.4 145 155 A I H X S+ 0 0 5 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.928 105.6 55.1 -53.3 -48.6 21.8 18.5 42.4 146 156 A T H X S+ 0 0 28 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.870 109.7 45.7 -54.6 -41.2 22.6 15.0 41.5 147 157 A G H X S+ 0 0 13 -4,-1.3 4,-2.8 -3,-0.3 5,-0.3 0.943 110.5 53.0 -68.6 -47.3 22.9 13.9 45.1 148 158 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.937 110.4 46.9 -51.3 -53.8 19.8 15.8 46.2 149 159 A V H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.874 112.2 51.9 -58.5 -39.0 17.7 14.0 43.5 150 160 A E H X S+ 0 0 107 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.949 111.7 43.5 -64.6 -51.3 19.2 10.7 44.4 151 161 A R H X S+ 0 0 95 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.876 112.4 55.8 -62.8 -35.7 18.4 10.9 48.2 152 162 A L H X S+ 0 0 1 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.902 111.4 42.1 -63.6 -42.9 15.0 12.3 47.3 153 163 A C H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.874 111.7 55.5 -71.6 -37.3 14.2 9.2 45.2 154 164 A Q H < S+ 0 0 113 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.922 115.2 38.8 -61.2 -42.5 15.7 6.9 47.7 155 165 A A H < S+ 0 0 35 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.795 133.2 18.7 -80.6 -30.5 13.5 8.2 50.5 156 166 A F H < S+ 0 0 44 -4,-1.9 17,-0.5 -5,-0.2 -3,-0.2 0.473 103.1 88.8-123.0 -0.9 10.2 8.7 48.6 157 167 A G S < S- 0 0 11 -4,-2.5 14,-0.1 -5,-0.2 -4,-0.0 -0.708 83.1 -90.6-102.7 153.6 10.3 6.6 45.5 158 168 A P - 0 0 80 0, 0.0 12,-2.7 0, 0.0 2,-0.4 -0.256 41.8-118.4 -57.0 138.4 9.4 2.9 44.9 159 169 A R E +E 169 0B 138 10,-0.2 10,-0.2 1,-0.2 3,-0.1 -0.677 37.9 173.0 -80.9 131.3 12.2 0.4 45.4 160 170 A L E - 0 0 46 8,-2.9 2,-0.3 -2,-0.4 -1,-0.2 0.747 47.1 -37.3-103.8 -91.1 13.0 -1.5 42.2 161 171 A I E - 0 0 39 -91,-0.0 7,-2.7 7,-0.0 2,-0.4 -0.900 48.4-123.9-136.8 169.5 16.0 -3.8 42.2 162 172 A Q E -E 167 0B 108 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.947 18.0-176.2-119.6 134.5 19.5 -3.9 43.6 163 173 A L E > -E 166 0B 15 3,-2.4 3,-2.7 -2,-0.4 -158,-0.1 -0.998 69.1 -36.9-128.1 125.0 22.7 -4.3 41.7 164 174 A D T 3 S- 0 0 96 -2,-0.4 -160,-0.1 1,-0.3 -2,-0.0 -0.401 126.2 -29.3 58.6-131.7 25.9 -4.6 43.7 165 175 A D T 3 S+ 0 0 144 -3,-0.1 2,-0.6 -2,-0.1 -1,-0.3 0.124 117.4 105.8-101.0 20.9 25.4 -2.2 46.6 166 176 A V E < -E 163 0B 33 -3,-2.7 -3,-2.4 2,-0.0 2,-0.6 -0.884 52.1-163.4-106.8 118.7 23.1 0.1 44.6 167 177 A T E -E 162 0B 52 -2,-0.6 2,-0.2 -5,-0.2 -5,-0.2 -0.884 16.1-144.7-100.2 118.7 19.4 0.0 45.3 168 178 A Y E - 0 0 20 -7,-2.7 -8,-2.9 -2,-0.6 2,-0.3 -0.581 15.2-168.1 -83.2 143.2 17.4 1.6 42.4 169 179 A H E -E 159 0B 19 -10,-0.2 -10,-0.2 -2,-0.2 -119,-0.1 -0.962 19.3-125.9-128.7 148.0 14.3 3.7 43.1 170 180 A G - 0 0 3 -12,-2.7 -14,-0.1 -2,-0.3 3,-0.1 -0.433 49.1 -82.1 -81.2 166.8 11.6 5.0 40.7 171 181 A F - 0 0 29 -14,-0.1 -1,-0.1 -2,-0.1 -42,-0.1 -0.478 55.2-101.1 -70.9 140.1 10.9 8.7 40.9 172 182 A P - 0 0 3 0, 0.0 -15,-0.2 0, 0.0 2,-0.1 -0.185 34.9-122.3 -58.8 154.3 8.5 9.7 43.7 173 183 A S > - 0 0 58 -17,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.455 25.5-105.1 -91.4 167.9 4.8 10.3 42.9 174 184 A L H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.931 120.4 55.8 -58.3 -46.5 2.9 13.5 43.6 175 185 A Q H 4 S+ 0 0 123 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.924 109.3 45.8 -52.7 -48.9 1.1 11.9 46.5 176 186 A A H >4 S+ 0 0 33 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.900 114.6 46.9 -63.9 -41.0 4.4 10.9 48.2 177 187 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.794 112.8 50.3 -71.8 -25.9 5.9 14.3 47.6 178 188 A A T 3< S+ 0 0 17 -4,-2.5 -1,-0.2 24,-0.2 -2,-0.2 0.457 89.9 119.3 -88.8 -1.8 2.8 16.0 49.0 179 189 A G S X S- 0 0 17 -3,-0.8 3,-1.1 -4,-0.5 4,-0.3 -0.005 75.8 -75.5 -60.7 168.0 2.8 13.8 52.1 180 190 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.419 111.4 4.7 -69.8 136.9 3.0 15.1 55.7 181 191 A E T 3> S+ 0 0 163 -2,-0.1 4,-1.5 -3,-0.1 5,-0.1 0.689 84.9 131.8 66.1 20.2 6.4 16.3 57.0 182 192 A V H <> + 0 0 3 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.923 68.2 55.9 -67.4 -43.1 8.1 15.8 53.5 183 193 A E H > S+ 0 0 60 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.945 107.7 47.4 -52.7 -53.9 9.6 19.3 53.7 184 194 A A H > S+ 0 0 55 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.857 112.0 50.2 -58.1 -37.5 11.4 18.5 57.0 185 195 A H H X S+ 0 0 79 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.898 110.2 50.0 -69.9 -38.2 12.7 15.2 55.7 186 196 A L H <>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 6,-0.3 0.847 106.7 55.4 -67.8 -33.3 14.0 16.8 52.6 187 197 A R H ><5S+ 0 0 112 -4,-2.2 3,-0.8 1,-0.2 5,-0.3 0.843 106.4 50.8 -68.4 -30.4 15.8 19.4 54.7 188 198 A K H 3<5S+ 0 0 188 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.747 107.7 53.4 -75.2 -24.4 17.5 16.6 56.6 189 199 A L T 3<5S- 0 0 36 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.356 123.4-112.2 -89.1 3.4 18.5 15.2 53.1 190 200 A G T < 5S+ 0 0 30 -3,-0.8 -3,-0.2 -5,-0.1 -2,-0.1 0.784 70.8 140.1 75.5 33.6 19.9 18.6 52.4 191 201 A L > < - 0 0 0 -5,-2.0 3,-1.5 1,-0.3 -4,-0.2 0.462 47.7-153.6 -84.2 1.5 17.8 20.2 49.7 192 202 A G T > - 0 0 31 -5,-0.3 3,-1.6 -6,-0.3 4,-0.3 -0.325 64.1 -16.9 62.2-145.2 18.0 23.5 51.5 193 203 A Y T >> S+ 0 0 88 1,-0.3 4,-0.9 2,-0.2 3,-0.7 0.636 127.4 75.8 -68.4 -14.6 15.1 25.9 50.9 194 204 A R H <> S+ 0 0 3 -3,-1.5 4,-2.3 1,-0.2 -1,-0.3 0.733 77.2 77.9 -69.9 -18.2 14.1 23.9 47.8 195 205 A A H <> S+ 0 0 0 -3,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.932 96.0 45.4 -53.7 -46.3 12.7 21.3 50.3 196 206 A R H <> S+ 0 0 103 -3,-0.7 4,-2.6 -4,-0.3 5,-0.3 0.871 107.9 58.2 -65.8 -36.5 9.7 23.6 50.8 197 207 A Y H X S+ 0 0 56 -4,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.873 105.3 51.2 -61.6 -37.3 9.5 24.1 47.0 198 208 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.967 114.9 37.6 -68.4 -52.3 9.1 20.4 46.5 199 209 A S H X S+ 0 0 3 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.929 118.7 51.0 -66.3 -39.9 6.2 19.7 49.0 200 210 A A H X S+ 0 0 32 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.920 112.3 45.0 -62.0 -46.0 4.6 23.0 48.1 201 211 A S H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.832 113.1 51.6 -68.7 -31.3 4.6 22.4 44.4 202 212 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.934 115.0 41.2 -69.4 -45.1 3.4 18.8 44.9 203 213 A R H X S+ 0 0 93 -4,-2.6 4,-3.8 2,-0.2 5,-0.2 0.918 111.9 56.4 -67.3 -43.8 0.5 19.9 47.0 204 214 A A H X>S+ 0 0 12 -4,-2.9 5,-1.3 -5,-0.3 4,-1.1 0.921 110.7 44.4 -53.7 -46.5 -0.2 22.9 44.7 205 215 A I H <5S+ 0 0 0 -4,-1.9 6,-2.7 3,-0.2 -1,-0.2 0.883 119.6 40.8 -66.9 -40.3 -0.6 20.5 41.8 206 216 A L H <5S+ 0 0 51 -4,-1.9 -2,-0.2 4,-0.2 -1,-0.2 0.897 125.6 32.4 -77.2 -40.2 -2.7 18.0 43.6 207 217 A E H <5S+ 0 0 151 -4,-3.8 -2,-0.2 -5,-0.2 -1,-0.2 0.304 133.7 19.7-103.3 9.9 -4.9 20.4 45.6 208 218 A E T <5S+ 0 0 144 -4,-1.1 -3,-0.2 -5,-0.2 -2,-0.1 0.525 120.0 47.4-143.5 -35.5 -5.2 23.3 43.2 209 219 A Q S > S- 0 0 9 -6,-2.7 3,-1.7 1,-0.2 4,-0.7 -0.079 77.0 -20.5 70.4-165.2 -3.5 16.8 39.8 212 222 A L H >> S+ 0 0 71 1,-0.3 4,-2.0 2,-0.2 3,-1.5 0.858 126.8 66.8 -46.0 -47.1 -1.2 14.9 37.4 213 223 A A H 3> S+ 0 0 68 -3,-0.4 4,-1.4 1,-0.3 -1,-0.3 0.820 94.6 59.5 -46.6 -38.4 -3.7 15.3 34.5 214 224 A W H <4 S+ 0 0 30 -3,-1.7 4,-0.3 -4,-0.3 -1,-0.3 0.854 109.6 41.9 -60.6 -38.6 -3.0 19.0 34.6 215 225 A L H X< S+ 0 0 0 -3,-1.5 3,-1.9 -4,-0.7 4,-0.3 0.966 112.7 50.2 -74.4 -54.9 0.7 18.5 34.0 216 226 A Q H >< S+ 0 0 92 -4,-2.0 3,-0.8 1,-0.3 4,-0.2 0.686 102.5 62.1 -59.3 -22.8 0.5 15.8 31.3 217 227 A Q G >X S+ 0 0 81 -4,-1.4 3,-1.5 -5,-0.3 4,-1.0 0.683 84.4 78.3 -77.7 -17.7 -2.0 17.8 29.3 218 228 A L G <4 S+ 0 0 3 -3,-1.9 -1,-0.2 -4,-0.3 8,-0.2 0.743 78.6 72.3 -61.5 -22.4 0.6 20.5 28.8 219 229 A R G <4 S+ 0 0 67 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.817 103.7 38.6 -63.1 -30.7 2.2 18.3 26.2 220 230 A E T <4 S+ 0 0 163 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.642 106.2 87.4 -90.8 -19.2 -0.8 19.1 23.8 221 231 A S S < S- 0 0 26 -4,-1.0 2,-0.2 1,-0.1 -3,-0.0 -0.172 89.5 -92.8 -72.3 171.1 -0.9 22.7 25.0 222 232 A S > - 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