==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 21-AUG-00 1FN7 . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.P.G.NORMAN,S.D.BRUNER,G.L.VERDINE . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 68.5 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 . 1 0.3 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 . 1 0.3 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 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 38.9 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 1 1 1 2 1 1 1 3 0 1 0 3 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 0 2 1 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 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 G 0 0 102 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.8 28.8 -14.0 37.3 2 10 A S + 0 0 108 4,-0.1 2,-0.2 9,-0.0 4,-0.1 0.204 360.0 80.4 -98.1 11.5 25.1 -13.7 37.2 3 11 A E S S+ 0 0 148 2,-0.1 160,-0.1 160,-0.1 0, 0.0 -0.684 77.6 26.7-112.1 168.4 25.4 -11.2 40.0 4 12 A G S S- 0 0 13 -2,-0.2 2,-0.1 158,-0.1 158,-0.0 0.075 106.9 -31.8 70.5 174.5 26.3 -7.5 39.9 5 13 A H S S- 0 0 29 1,-0.1 -2,-0.1 158,-0.1 43,-0.0 -0.416 73.2-123.3 -64.2 139.5 26.0 -5.0 37.1 6 14 A R - 0 0 32 -2,-0.1 2,-0.3 -4,-0.1 -1,-0.1 -0.087 21.3-156.2 -77.5-178.8 26.3 -6.7 33.7 7 15 A T > - 0 0 31 1,-0.1 4,-1.9 50,-0.0 7,-0.2 -0.973 29.7-117.0-154.7 155.8 28.7 -6.0 30.8 8 16 A L T 4 S+ 0 0 51 -2,-0.3 7,-0.1 2,-0.2 6,-0.1 0.838 117.9 43.0 -66.0 -32.8 28.7 -6.7 27.1 9 17 A A T 4 S+ 0 0 81 2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.958 115.0 46.5 -75.1 -55.8 31.7 -8.9 27.5 10 18 A S T 4 S+ 0 0 75 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.854 126.5 20.0 -59.3 -47.7 30.6 -10.8 30.6 11 19 A T S >< S+ 0 0 23 -4,-1.9 3,-3.0 1,-0.1 -1,-0.2 -0.308 70.4 161.7-126.2 54.8 27.0 -11.8 29.8 12 20 A P G > S+ 0 0 76 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.787 70.1 64.1 -37.2 -51.3 26.8 -11.5 26.0 13 21 A A G 3 S+ 0 0 94 1,-0.3 64,-0.5 64,-0.0 -5,-0.1 0.655 98.3 61.6 -56.0 -12.5 23.7 -13.7 25.6 14 22 A L G < S+ 0 0 32 -3,-3.0 55,-0.4 -7,-0.2 2,-0.3 0.507 87.3 83.6 -95.8 -3.3 21.9 -10.9 27.6 15 23 A W < - 0 0 21 -3,-2.2 2,-0.3 -4,-0.2 53,-0.2 -0.777 52.4-165.6-107.1 146.8 22.3 -7.9 25.3 16 24 A A E -A 67 0A 19 51,-1.6 51,-2.0 -2,-0.3 2,-0.3 -0.774 20.2-125.3-117.2 164.9 20.3 -6.8 22.3 17 25 A S E -A 66 0A 58 -2,-0.3 49,-0.2 49,-0.2 47,-0.0 -0.872 13.3-163.7-119.5 149.4 21.4 -4.2 19.8 18 26 A I E -A 65 0A 4 47,-1.2 47,-2.2 -2,-0.3 2,-0.1 -0.989 34.5-116.4-127.5 117.9 19.8 -1.0 18.4 19 27 A P E +A 64 0A 108 0, 0.0 45,-0.2 0, 0.0 44,-0.0 -0.355 60.6 137.8 -54.8 122.4 21.3 0.3 15.2 20 28 A C - 0 0 6 43,-1.9 2,-0.1 -2,-0.1 -2,-0.1 -0.647 44.7-136.1-173.9 112.1 22.8 3.6 16.2 21 29 A P >> - 0 0 57 0, 0.0 3,-2.2 0, 0.0 4,-0.9 -0.422 23.6-123.6 -74.5 146.3 26.1 5.3 15.3 22 30 A R T 34 S+ 0 0 83 40,-1.7 41,-0.1 1,-0.3 40,-0.1 0.623 114.1 65.1 -61.5 -10.7 28.2 7.0 17.9 23 31 A S T 34 S+ 0 0 68 39,-0.3 96,-1.0 1,-0.2 -1,-0.3 0.734 105.2 41.8 -82.8 -23.9 27.8 10.0 15.6 24 32 A E T <4 S+ 0 0 20 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.516 130.4 18.9 -98.6 -8.3 24.1 10.1 16.3 25 33 A L < - 0 0 0 -4,-0.9 2,-0.5 95,-0.1 -1,-0.3 -0.865 53.8-170.7-165.8 127.6 24.5 9.4 20.1 26 34 A R >> - 0 0 41 93,-2.1 3,-3.0 -2,-0.3 4,-1.9 -0.843 4.8-168.9-123.6 93.6 27.3 9.7 22.6 27 35 A L H 3> S+ 0 0 2 -2,-0.5 4,-2.0 1,-0.3 -1,-0.1 0.839 88.9 59.0 -48.9 -37.3 26.4 8.1 26.0 28 36 A D H 34 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.2 13,-0.0 0.621 112.9 38.6 -71.2 -9.7 29.4 9.7 27.6 29 37 A L H <4 S+ 0 0 16 -3,-3.0 -2,-0.2 90,-0.2 -1,-0.2 0.663 121.5 40.6-110.5 -21.8 28.1 13.1 26.6 30 38 A V H < S+ 0 0 2 -4,-1.9 5,-0.4 89,-0.1 6,-0.4 0.847 110.8 48.4 -96.5 -40.2 24.4 12.7 27.3 31 39 A L S < S+ 0 0 0 -4,-2.0 8,-0.4 -5,-0.2 3,-0.1 0.684 79.9 105.6 -80.0 -18.3 24.1 10.6 30.4 32 40 A P S > S- 0 0 37 0, 0.0 3,-0.7 0, 0.0 4,-0.3 -0.334 96.3 -73.5 -59.9 145.0 26.4 12.6 32.7 33 41 A S T 3 S+ 0 0 33 6,-0.2 4,-0.2 1,-0.2 109,-0.1 -0.064 107.6 81.0 -43.1 132.1 24.4 14.6 35.2 34 42 A G T 3 S+ 0 0 32 2,-1.6 -1,-0.2 -3,-0.1 3,-0.1 -0.189 101.0 24.8 163.5 -57.1 22.9 17.6 33.4 35 43 A Q S < S+ 0 0 22 -3,-0.7 2,-0.3 1,-0.4 -2,-0.1 0.837 141.1 10.8 -93.1 -53.9 19.8 16.5 31.6 36 44 A S - 0 0 0 -6,-0.4 -2,-1.6 -4,-0.3 -1,-0.4 -0.766 61.2-161.4-115.2 163.3 19.1 13.6 33.9 37 45 A F S S+ 0 0 4 -2,-0.3 -4,-0.1 -4,-0.2 113,-0.1 0.150 74.8 80.1-130.6 16.3 20.9 13.0 37.2 38 46 A R + 0 0 37 -6,-0.1 2,-0.2 12,-0.1 12,-0.2 0.577 66.2 93.8-104.0 -10.2 20.1 9.3 37.6 39 47 A W - 0 0 5 -8,-0.4 2,-0.4 10,-0.1 -6,-0.2 -0.570 50.1-170.5 -86.6 149.5 22.6 7.5 35.3 40 48 A R E -B 48 0A 62 8,-1.8 8,-2.7 -2,-0.2 2,-1.9 -0.999 28.9-134.7-140.5 135.0 25.9 6.2 36.6 41 49 A E E +B 47 0A 96 -2,-0.4 6,-0.2 6,-0.2 4,-0.1 -0.625 35.5 168.5 -86.0 80.4 28.9 4.7 34.7 42 50 A Q E S+ 0 0 84 -2,-1.9 -1,-0.2 4,-0.5 5,-0.1 0.833 73.1 22.9 -64.1 -31.4 29.1 1.8 37.2 43 51 A S E > S-B 46 0A 33 3,-1.4 3,-3.4 -3,-0.2 -1,-0.2 -0.997 111.7 -79.3-134.9 139.0 31.6 0.2 34.8 44 52 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.060 118.2 0.5 -40.3 125.1 33.7 2.0 32.2 45 53 A A T 3 S+ 0 0 50 1,-0.2 2,-0.5 -4,-0.1 15,-0.4 0.544 112.6 108.6 68.9 8.8 31.5 2.8 29.1 46 54 A H E < -B 43 0A 18 -3,-3.4 -3,-1.4 13,-0.1 -4,-0.5 -0.952 49.7-169.5-121.1 114.4 28.6 1.1 30.9 47 55 A W E -BC 41 58A 21 11,-3.3 11,-3.3 -2,-0.5 2,-0.4 -0.870 3.2-169.0-106.0 130.9 25.8 3.3 32.2 48 56 A S E +BC 40 57A 1 -8,-2.7 -8,-1.8 -2,-0.5 2,-0.3 -0.896 23.5 117.6-119.6 150.8 23.0 2.0 34.5 49 57 A G E - C 0 56A 1 7,-1.8 7,-2.3 -2,-0.4 2,-0.5 -0.981 61.3 -64.3 175.3 179.3 19.8 3.6 35.6 50 58 A V E + C 0 55A 24 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.786 48.0 167.9 -92.7 126.4 16.0 3.4 35.6 51 59 A L E > S- C 0 54A 6 3,-3.0 3,-0.9 -2,-0.5 35,-0.1 -0.977 71.1 -6.7-139.5 121.7 14.4 3.7 32.2 52 60 A A T 3 S- 0 0 60 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.945 128.8 -58.0 57.8 48.1 10.7 2.9 31.7 53 61 A D T 3 S+ 0 0 133 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.645 121.7 86.9 57.0 21.7 10.4 1.6 35.3 54 62 A Q E < S-C 51 0A 53 -3,-0.9 -3,-3.0 17,-0.1 2,-0.4 -0.949 80.7-105.4-141.3 160.4 13.1 -1.0 35.0 55 63 A V E +CD 50 70A 1 15,-1.2 15,-2.5 -2,-0.3 2,-0.3 -0.742 40.3 174.8 -91.6 137.1 16.8 -1.0 35.4 56 64 A W E -CD 49 69A 1 -7,-2.3 -7,-1.8 -2,-0.4 2,-0.4 -0.885 24.4-146.3-132.8 164.9 19.1 -1.1 32.3 57 65 A T E -CD 48 68A 1 11,-1.5 11,-0.9 -2,-0.3 2,-0.4 -0.998 21.4-165.3-132.5 126.7 22.7 -0.9 31.6 58 66 A L E +CD 47 67A 0 -11,-3.3 -11,-3.3 -2,-0.4 2,-0.3 -0.943 16.8 157.7-120.5 139.5 23.7 0.7 28.4 59 67 A T E - D 0 66A 7 7,-2.1 7,-2.3 -2,-0.4 2,-0.3 -0.970 21.2-146.9-150.3 155.2 27.0 0.7 26.5 60 68 A Q E - D 0 65A 26 -15,-0.4 5,-0.2 -2,-0.3 2,-0.2 -0.920 9.9-157.9-134.7 158.2 27.9 1.4 22.9 61 69 A T - 0 0 57 3,-2.8 -39,-0.1 -2,-0.3 5,-0.0 -0.498 55.9 -77.0-111.9-174.9 30.3 0.4 20.1 62 70 A E S S+ 0 0 138 1,-0.2 -40,-1.7 -2,-0.2 -39,-0.3 0.776 128.2 8.6 -61.0 -25.9 31.1 2.5 17.0 63 71 A E S S+ 0 0 52 -42,-0.2 -43,-1.9 -41,-0.1 2,-0.4 0.351 118.8 73.8-136.1 4.5 27.8 1.6 15.3 64 72 A Q E -A 19 0A 62 -45,-0.2 -3,-2.8 -47,-0.0 2,-0.8 -0.971 56.4-151.3-131.1 138.1 25.7 -0.2 17.9 65 73 A L E -AD 18 60A 0 -47,-2.2 -47,-1.2 -2,-0.4 2,-0.4 -0.888 24.8-158.2-102.5 105.4 23.8 0.7 21.1 66 74 A H E -AD 17 59A 20 -7,-2.3 -7,-2.1 -2,-0.8 2,-0.3 -0.721 12.0-173.8 -89.3 132.6 23.9 -2.3 23.4 67 75 A C E -AD 16 58A 0 -51,-2.0 -51,-1.6 -2,-0.4 2,-0.3 -0.877 11.8-172.6-126.5 157.0 21.2 -2.6 26.0 68 76 A T E - D 0 57A 0 -11,-0.9 -11,-1.5 -2,-0.3 2,-0.3 -0.976 10.3-150.7-150.8 132.3 20.5 -5.0 28.9 69 77 A V E - D 0 56A 1 -55,-0.4 2,-0.5 7,-0.4 7,-0.3 -0.828 6.9-163.9-109.3 146.7 17.5 -5.2 31.3 70 78 A Y E D 0 55A 16 -15,-2.5 -15,-1.2 -2,-0.3 -2,-0.0 -0.994 360.0 360.0-123.6 117.8 17.1 -6.4 34.9 71 79 A R 0 0 104 -2,-0.5 -17,-0.1 2,-0.2 4,-0.0 -0.526 360.0 360.0-103.4 360.0 13.5 -7.1 35.8 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 0 169 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 12.5 11.8 -13.4 36.5 74 84 A Q - 0 0 90 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.416 360.0-112.6 -63.4 122.2 14.2 -15.5 34.2 75 85 A A + 0 0 63 -2,-0.3 2,-0.3 -4,-0.0 -1,-0.1 -0.227 49.3 155.0 -57.9 137.1 16.9 -13.2 32.8 76 86 A S - 0 0 51 -7,-0.3 -7,-0.4 -62,-0.1 -62,-0.1 -0.986 48.8 -82.2-161.4 154.9 16.9 -12.6 29.1 77 87 A R S S- 0 0 33 -64,-0.5 -62,-0.2 -2,-0.3 -9,-0.1 -0.186 70.1 -79.8 -54.8 152.8 18.0 -10.1 26.4 78 88 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 -0.143 47.1-116.0 -55.5 152.0 15.6 -7.2 26.2 79 89 A T > - 0 0 53 -3,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.343 28.8-106.4 -81.6 171.6 12.4 -7.7 24.1 80 90 A P H > S+ 0 0 96 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.953 121.2 47.9 -64.9 -47.8 11.8 -5.7 21.0 81 91 A D H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.876 109.2 54.2 -59.0 -40.7 9.2 -3.5 22.6 82 92 A E H > S+ 0 0 32 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.909 106.1 52.7 -61.2 -41.4 11.4 -3.0 25.6 83 93 A L H >X S+ 0 0 21 -4,-1.8 4,-1.8 1,-0.2 3,-0.6 0.853 101.7 60.6 -62.4 -34.1 14.1 -1.8 23.2 84 94 A E H 3X S+ 0 0 94 -4,-1.6 4,-3.5 1,-0.3 5,-0.3 0.919 95.7 59.8 -58.4 -44.5 11.6 0.7 21.7 85 95 A A H 3X S+ 0 0 32 -4,-1.6 4,-2.0 1,-0.3 -1,-0.3 0.858 104.8 52.0 -51.9 -34.7 11.3 2.3 25.1 86 96 A V H S+ 0 0 57 -4,-1.8 5,-2.1 1,-0.2 4,-0.4 0.882 112.6 51.1 -64.6 -37.6 14.6 4.5 21.3 88 98 A K H ><5S+ 0 0 156 -4,-3.5 3,-0.8 1,-0.2 -1,-0.2 0.917 108.7 51.9 -66.5 -39.0 11.8 6.6 22.6 89 99 A Y H 3<5S+ 0 0 30 -4,-2.0 35,-2.7 -5,-0.3 -2,-0.2 0.866 116.7 38.4 -63.8 -38.8 13.9 7.8 25.5 90 100 A F T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 33,-0.2 -2,-0.2 0.347 104.6-130.9 -92.9 4.2 16.7 8.8 23.3 91 101 A Q T X 5 + 0 0 40 -3,-0.8 3,-2.4 -4,-0.4 -3,-0.2 0.884 38.5 175.0 45.2 46.8 14.3 10.2 20.6 92 102 A L T 3 < + 0 0 18 -5,-2.1 4,-0.1 1,-0.3 -1,-0.1 0.719 66.4 70.7 -54.7 -27.4 16.3 8.2 18.1 93 103 A D T 3 S+ 0 0 129 -6,-0.3 2,-0.6 2,-0.1 -1,-0.3 0.702 80.7 86.9 -67.3 -15.0 13.9 9.1 15.3 94 104 A V S < S- 0 0 28 -3,-2.4 2,-0.9 -4,-0.1 0, 0.0 -0.766 83.7-136.9 -83.7 122.8 15.2 12.6 15.5 95 105 A T >> - 0 0 67 -2,-0.6 4,-1.8 1,-0.2 3,-0.6 -0.744 14.9-165.2 -90.7 106.8 18.3 12.6 13.2 96 106 A L H 3> S+ 0 0 0 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.751 87.7 59.6 -58.7 -30.0 21.2 14.4 14.8 97 107 A A H 3> S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 106.8 48.1 -65.2 -42.3 23.1 14.7 11.5 98 108 A Q H <> S+ 0 0 128 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.920 115.0 44.2 -63.0 -47.4 20.2 16.6 10.0 99 109 A L H X S+ 0 0 25 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.916 112.3 50.9 -66.9 -44.4 20.0 19.0 13.0 100 110 A Y H X S+ 0 0 32 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.883 108.2 54.7 -60.1 -39.0 23.7 19.5 13.2 101 111 A H H X S+ 0 0 127 -4,-2.0 4,-3.1 -5,-0.2 -1,-0.2 0.947 109.5 45.6 -60.2 -51.2 23.8 20.4 9.5 102 112 A H H X S+ 0 0 82 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.969 114.0 47.3 -58.1 -55.7 21.2 23.1 9.8 103 113 A W H X S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.2 8,-0.3 0.917 113.2 50.0 -52.7 -45.3 22.7 24.6 12.9 104 114 A G H >< S+ 0 0 7 -4,-2.7 3,-0.9 -5,-0.2 7,-0.3 0.961 106.7 56.3 -56.8 -51.1 26.1 24.5 11.2 105 115 A S H 3< S+ 0 0 80 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.838 117.3 32.8 -48.0 -44.7 24.6 26.2 8.1 106 116 A V H 3< S+ 0 0 66 -4,-2.0 2,-0.3 1,-0.2 -1,-0.3 0.520 121.8 46.9 -95.2 -6.6 23.3 29.2 10.0 107 117 A D S+ 0 0 104 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.801 91.1 53.9 -50.9 -37.5 29.7 29.3 11.8 109 119 A H H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.911 108.9 46.8 -67.1 -42.8 30.8 29.1 15.5 110 120 A F H > S+ 0 0 1 -3,-0.5 4,-3.3 1,-0.2 5,-0.4 0.991 110.2 56.6 -58.2 -54.9 28.5 26.1 16.1 111 121 A Q H X S+ 0 0 116 -4,-2.8 4,-0.8 -7,-0.3 -2,-0.2 0.856 112.8 40.4 -38.8 -50.4 30.0 24.7 12.9 112 122 A E H >< S+ 0 0 66 -4,-2.2 3,-1.2 -5,-0.2 4,-0.4 1.000 121.0 38.2 -64.2 -72.6 33.4 25.1 14.4 113 123 A V H >X S+ 0 0 47 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.852 108.1 64.0 -45.1 -50.7 32.8 23.9 18.0 114 124 A A H >< S+ 0 0 6 -4,-3.3 3,-1.5 -5,-0.3 -1,-0.2 0.768 82.3 78.5 -51.3 -35.3 30.4 21.1 17.1 115 125 A Q G X< S+ 0 0 81 -3,-1.2 3,-0.6 -4,-0.8 -1,-0.2 0.912 96.3 43.4 -42.7 -60.9 32.9 19.0 15.2 116 126 A K G <4 S+ 0 0 167 -3,-0.6 -1,-0.3 -4,-0.4 2,-0.2 0.674 115.6 52.0 -62.7 -16.9 34.6 17.5 18.2 117 127 A F G << + 0 0 22 -3,-1.5 3,-0.4 -4,-0.5 -1,-0.2 -0.430 70.0 156.1-123.6 64.1 31.3 16.9 20.0 118 128 A Q < + 0 0 32 -3,-0.6 -94,-0.1 -2,-0.2 -21,-0.0 -0.274 52.7 46.2 -78.7 167.1 28.9 15.0 17.8 119 129 A G + 0 0 0 -96,-1.0 -93,-2.1 1,-0.2 2,-0.7 0.730 65.5 143.3 75.3 23.6 26.0 12.9 19.1 120 130 A V + 0 0 3 -3,-0.4 2,-0.2 -95,-0.2 -1,-0.2 -0.870 20.2 152.6 -99.1 114.0 24.6 15.3 21.7 121 131 A R - 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0 0 43 1,-0.1 4,-3.9 29,-0.0 5,-0.3 -0.629 30.9-117.6 -90.1 149.2 2.0 25.3 23.4 223 233 A Y H > S+ 0 0 25 1,-0.3 4,-3.6 -2,-0.3 5,-0.4 0.935 119.8 51.5 -45.9 -51.9 5.5 26.1 24.7 224 234 A E H > S+ 0 0 129 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.887 116.2 39.7 -52.6 -46.8 4.2 29.6 25.5 225 235 A E H > S+ 0 0 126 2,-0.2 4,-2.9 3,-0.1 -2,-0.2 0.982 117.6 49.1 -65.9 -58.3 1.2 28.1 27.4 226 236 A A H X S+ 0 0 0 -4,-3.9 4,-2.8 1,-0.2 5,-0.2 0.919 111.5 46.7 -46.7 -60.6 3.2 25.3 29.0 227 237 A H H X S+ 0 0 21 -4,-3.6 4,-1.7 -5,-0.3 -1,-0.2 0.906 113.6 52.9 -51.4 -42.1 6.1 27.5 30.3 228 238 A K H < S+ 0 0 152 -4,-1.4 3,-0.4 -5,-0.4 4,-0.4 0.969 110.3 44.6 -55.6 -60.8 3.4 29.8 31.6 229 239 A A H >< S+ 0 0 23 -4,-2.9 3,-1.9 1,-0.2 4,-0.4 0.913 108.9 57.6 -51.9 -50.8 1.5 27.2 33.5 230 240 A L H >< S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.863 92.2 69.2 -51.3 -42.5 4.7 25.7 35.0 231 241 A C T 3< S+ 0 0 48 -4,-1.7 -1,-0.3 -3,-0.4 5,-0.2 0.652 84.0 72.8 -55.2 -17.2 5.7 28.9 36.6 232 242 A I T < S+ 0 0 101 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.965 78.5 88.7 -61.1 -53.5 2.8 28.7 39.1 233 243 A L S X S- 0 0 5 -3,-0.9 3,-1.3 -4,-0.4 2,-0.2 -0.031 92.3 -96.0 -46.8 142.9 4.5 25.9 41.1 234 244 A P T 3 S+ 0 0 45 0, 0.0 -33,-0.2 0, 0.0 -1,-0.1 -0.421 106.5 15.7 -67.9 134.6 6.8 26.9 43.9 235 245 A G T 3 S+ 0 0 20 1,-0.2 2,-0.6 -2,-0.2 -97,-0.2 0.593 99.4 115.0 79.9 10.7 10.5 27.0 43.2 236 246 A V < + 0 0 9 -3,-1.3 -1,-0.2 -5,-0.2 2,-0.1 -0.915 35.5 158.8-118.2 104.7 9.8 27.0 39.5 237 247 A G > - 0 0 37 -2,-0.6 4,-2.0 -3,-0.1 5,-0.1 -0.161 60.5 -69.4-103.7-157.8 10.8 30.1 37.5 238 248 A T H > S+ 0 0 75 2,-0.2 4,-2.0 3,-0.2 5,-0.2 0.935 130.1 49.9 -62.0 -49.0 11.5 30.7 33.8 239 249 A K H >> S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 3,-0.8 0.973 115.0 40.6 -55.7 -61.7 14.7 28.7 33.8 240 250 A V H 3> S+ 0 0 6 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.870 113.3 57.3 -56.8 -35.6 13.3 25.5 35.5 241 251 A A H 3X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.849 107.8 46.9 -64.1 -34.3 10.2 26.0 33.4 242 252 A D H S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 5,-1.5 0.942 114.6 46.4 -62.4 -49.6 10.9 21.0 31.9 245 255 A C H X5S+ 0 0 0 -4,-2.2 6,-2.1 1,-0.2 4,-0.6 0.939 118.6 43.9 -56.5 -48.1 9.4 22.2 28.6 246 256 A L H <5S+ 0 0 11 -4,-3.8 -2,-0.2 1,-0.2 -1,-0.2 0.784 123.1 32.3 -69.0 -34.0 12.7 21.3 26.8 247 257 A M H <5S+ 0 0 14 -4,-2.6 -122,-3.4 -5,-0.3 -1,-0.2 0.597 135.9 11.5-105.8 -9.5 13.4 17.9 28.3 248 258 A A H <5S+ 0 0 2 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.571 116.7 59.6-138.6 -21.1 9.9 16.4 29.0 249 259 A L S < + 0 0 12 -6,-2.1 3,-1.5 -7,-0.2 -1,-0.2 -0.771 24.7 176.5-113.6 82.1 9.2 21.7 23.3 252 262 A P T 3 S+ 0 0 22 0, 0.0 50,-1.0 0, 0.0 51,-0.9 0.498 72.3 62.5 -67.5 -1.6 12.5 21.6 21.5 253 263 A Q T 3 S+ 0 0 44 47,-0.2 2,-0.2 48,-0.2 47,-0.1 0.503 73.0 115.1 -99.8 -5.6 12.7 25.4 21.1 254 264 A A < - 0 0 0 -3,-1.5 -3,-0.0 -12,-0.1 -12,-0.0 -0.485 50.0-162.7 -65.7 129.9 12.8 26.1 24.8 255 265 A V - 0 0 2 -2,-0.2 2,-0.6 46,-0.1 -12,-0.1 -0.854 10.4-145.3-122.1 97.0 16.2 27.7 25.7 256 266 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 5,-0.2 -0.418 19.7-157.1 -61.8 105.9 17.1 27.5 29.5 257 267 A V + 0 0 14 -2,-0.6 2,-0.2 3,-0.1 -18,-0.1 -0.757 27.6 141.3 -93.4 129.3 19.0 30.8 30.1 258 268 A D > - 0 0 39 -2,-0.5 4,-1.7 -19,-0.1 5,-0.2 -0.833 68.8 -77.5-147.0-176.8 21.3 31.0 33.1 259 269 A V H > S+ 0 0 93 -2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.881 127.3 62.2 -57.8 -34.7 24.7 32.5 34.0 260 270 A H H >> S+ 0 0 39 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.977 105.2 45.0 -52.0 -60.1 26.2 29.6 32.1 261 271 A M H 3> S+ 0 0 0 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.784 105.3 59.8 -55.8 -35.4 24.6 30.7 28.9 262 272 A W H 3X S+ 0 0 6 -4,-1.7 4,-3.1 1,-0.2 -1,-0.3 0.922 103.2 54.3 -61.1 -40.4 25.5 34.4 29.3 263 273 A H H - 0 0 24 1,-0.1 4,-3.3 -4,-0.1 5,-0.4 -0.936 66.8 -93.3-170.8 156.4 17.6 40.1 34.7 283 293 A P H > S+ 0 0 113 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.910 126.3 43.2 -47.4 -48.7 14.2 38.8 33.9 284 294 A Q H > S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.952 117.0 46.2 -63.5 -47.8 13.9 41.0 30.8 285 295 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.851 111.3 50.9 -63.7 -37.6 17.5 40.4 29.7 286 296 A N H X S+ 0 0 49 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.850 107.7 54.5 -68.4 -33.0 17.3 36.6 30.2 287 297 A K H X S+ 0 0 131 -4,-1.7 4,-1.5 -5,-0.4 -2,-0.2 0.916 110.4 47.2 -63.8 -41.9 14.1 36.6 28.1 288 298 A E H X S+ 0 0 21 -4,-1.8 4,-3.1 2,-0.2 3,-0.3 0.945 106.9 54.3 -65.5 -50.9 16.0 38.4 25.4 289 299 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.3 5,-0.2 0.925 109.0 51.5 -50.3 -46.1 19.0 36.0 25.5 290 300 A G H X S+ 0 0 3 -4,-2.0 4,-1.4 1,-0.2 -1,-0.3 0.881 110.3 47.5 -60.5 -38.4 16.5 33.2 25.0 291 301 A N H X S+ 0 0 79 -4,-1.5 4,-2.5 -3,-0.3 5,-0.3 0.909 105.0 61.2 -70.9 -37.4 14.9 34.8 22.0 292 302 A F H X S+ 0 0 65 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.953 109.2 40.4 -52.1 -55.6 18.3 35.5 20.5 293 303 A F H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 5,-0.5 0.787 110.1 58.8 -67.8 -27.2 19.2 31.9 20.2 294 304 A R H X S+ 0 0 54 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.907 111.6 41.1 -68.8 -40.4 15.7 30.8 19.1 295 305 A S H < S+ 0 0 103 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.842 117.4 49.6 -77.1 -28.6 16.0 33.1 16.1 296 306 A L H < S+ 0 0 43 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.957 127.1 21.3 -72.0 -48.4 19.6 32.1 15.5 297 307 A W H < S- 0 0 1 -4,-3.1 3,-0.4 1,-0.2 -3,-0.2 0.744 97.9-146.4 -94.3 -25.5 19.1 28.3 15.7 298 308 A G >< - 0 0 17 -4,-1.9 3,-2.2 -5,-0.5 -1,-0.2 -0.495 55.7 -8.2 96.7-166.3 15.4 27.8 15.0 299 309 A P T 3 S+ 0 0 92 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.679 135.6 43.0 -39.9 -37.1 12.8 25.3 16.3 300 310 A Y T >> S+ 0 0 74 -3,-0.4 4,-2.1 1,-0.2 3,-0.6 -0.030 70.3 132.2-106.6 31.9 15.4 23.1 18.1 301 311 A A H <> S+ 0 0 0 -3,-2.2 4,-2.6 1,-0.3 5,-0.2 0.908 71.2 57.0 -47.0 -49.3 17.4 25.9 19.6 302 312 A G H 3> S+ 0 0 0 -50,-1.0 4,-1.5 -3,-0.3 -1,-0.3 0.889 105.4 49.1 -50.2 -47.5 17.2 24.0 23.0 303 313 A W H <> S+ 0 0 5 -51,-0.9 4,-1.3 -3,-0.6 3,-0.4 0.936 109.9 53.0 -59.6 -44.2 18.8 20.9 21.5 304 314 A A H >X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.3 3,-0.5 0.914 102.6 57.5 -57.3 -45.2 21.5 23.1 20.0 305 315 A Q H 3X S+ 0 0 8 -4,-2.6 4,-2.4 1,-0.3 -1,-0.3 0.880 100.0 59.7 -53.5 -38.5 22.3 24.7 23.3 306 316 A A H 3X S+ 0 0 14 -4,-1.5 4,-2.4 -3,-0.4 -1,-0.3 0.920 102.6 52.7 -57.8 -42.9 23.0 21.2 24.6 307 317 A V H