==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 08-AUG-08 3E3Y . COMPND 2 MOLECULE: TYPE-2 RESTRICTION ENZYME HINDII; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR N.C.HORTON,A.C.BABIC,E.J.LITTLE,V.M.MANOHAR . 483 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 14.9 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 . 6 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 . 31 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 3 2 3 0 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 2 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 2 6 0 2 0 0 0 0 2 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 2 0 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 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 2 A S 0 0 41 0, 0.0 174,-0.0 0, 0.0 108,-0.0 0.000 360.0 360.0 360.0 137.6 20.1 -95.7 78.7 2 3 A F + 0 0 51 1,-0.1 4,-0.2 2,-0.1 102,-0.0 0.743 360.0 50.1 -82.1 -24.4 21.4 -92.1 78.6 3 4 A I S > S+ 0 0 1 1,-0.2 3,-2.6 2,-0.1 4,-0.3 0.883 91.2 77.4 -76.6 -42.9 18.8 -91.2 76.1 4 5 A K G > S+ 0 0 105 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.771 87.2 58.4 -40.0 -45.4 15.8 -92.7 77.9 5 6 A P G 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.758 118.1 31.7 -63.2 -23.5 15.5 -89.8 80.4 6 7 A I G <> S+ 0 0 34 -3,-2.6 4,-2.9 -4,-0.2 -2,-0.2 0.123 85.1 109.8-118.4 18.9 15.0 -87.2 77.6 7 8 A Y H <> S+ 0 0 36 -3,-1.3 4,-4.0 -4,-0.3 5,-0.3 0.896 75.1 57.4 -63.4 -41.3 13.3 -89.5 75.1 8 9 A Q H > S+ 0 0 138 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.925 111.0 45.1 -52.1 -45.8 10.0 -87.6 75.5 9 10 A D H > S+ 0 0 94 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.978 114.1 48.3 -60.0 -56.6 11.9 -84.5 74.5 10 11 A I H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.894 110.6 51.6 -50.3 -47.8 13.6 -86.3 71.6 11 12 A N H X S+ 0 0 32 -4,-4.0 4,-1.7 1,-0.2 -1,-0.2 0.934 113.4 43.8 -58.4 -47.5 10.3 -87.8 70.4 12 13 A S H < S+ 0 0 79 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.899 114.0 49.0 -65.6 -43.4 8.6 -84.4 70.4 13 14 A I H < S+ 0 0 79 -4,-2.9 4,-0.2 1,-0.2 -2,-0.2 0.932 112.3 48.4 -62.8 -45.0 11.5 -82.5 68.7 14 15 A L H >< S+ 0 0 4 -4,-2.5 3,-1.8 -5,-0.2 154,-0.4 0.828 90.4 88.7 -67.6 -36.2 11.9 -85.1 66.0 15 16 A I T 3< S+ 0 0 67 -4,-1.7 154,-0.2 1,-0.3 3,-0.1 -0.524 97.9 22.4 -67.5 123.7 8.2 -85.3 65.0 16 17 A G T 3 S+ 0 0 48 152,-2.0 -1,-0.3 1,-0.4 -2,-0.1 0.067 92.2 131.5 104.1 -23.2 7.6 -82.6 62.4 17 18 A Q < - 0 0 71 -3,-1.8 151,-2.3 -4,-0.2 -1,-0.4 -0.302 42.5-154.4 -59.0 146.6 11.3 -82.5 61.4 18 19 A K E -A 167 0A 61 149,-0.2 2,-0.4 -3,-0.1 149,-0.2 -0.936 15.8-165.0-126.9 147.9 11.9 -82.7 57.7 19 20 A V E -A 166 0A 55 147,-2.2 147,-2.9 -2,-0.3 2,-0.0 -0.999 35.9-106.0-127.0 138.0 14.7 -83.9 55.4 20 21 A K E A 165 0A 77 -2,-0.4 145,-0.2 145,-0.2 144,-0.0 -0.343 360.0 360.0 -61.2 135.1 14.8 -82.9 51.7 21 22 A R 0 0 99 143,-1.8 144,-0.1 -2,-0.0 -1,-0.1 0.952 360.0 360.0 -68.2 360.0 13.9 -85.8 49.4 22 ! 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 23 37 A F > 0 0 30 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -22.9 17.0 -88.4 60.0 24 38 A E H > + 0 0 51 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.871 360.0 54.1 -57.7 -40.1 19.9 -90.1 61.8 25 39 A K H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.857 107.4 50.6 -63.7 -36.6 21.9 -86.8 61.4 26 40 A L H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.909 108.1 51.8 -67.6 -43.2 19.0 -85.0 63.1 27 41 A V H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.925 111.7 48.7 -56.0 -43.8 19.0 -87.5 66.0 28 42 A Y H X S+ 0 0 48 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.944 108.8 51.3 -64.1 -49.6 22.7 -86.9 66.3 29 43 A K H X S+ 0 0 38 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.908 111.3 49.0 -53.1 -44.7 22.4 -83.1 66.3 30 44 A F H X S+ 0 0 19 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.969 112.1 46.6 -61.2 -52.9 19.7 -83.3 69.0 31 45 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.901 111.3 53.6 -55.7 -43.0 21.8 -85.6 71.2 32 46 A K H < S+ 0 0 60 -4,-3.0 -1,-0.2 1,-0.2 4,-0.2 0.895 111.1 45.0 -58.7 -42.0 24.8 -83.3 70.7 33 47 A E H < S+ 0 0 152 -4,-2.1 3,-0.2 -5,-0.2 -1,-0.2 0.837 124.6 33.0 -72.1 -31.5 22.9 -80.2 71.8 34 48 A N H < S+ 0 0 77 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.660 136.2 22.2-102.6 -20.2 21.4 -81.9 74.9 35 49 A L S >X S+ 0 0 37 -4,-3.2 3,-1.6 -5,-0.3 4,-1.3 -0.337 73.3 158.4-141.6 52.8 24.2 -84.4 75.8 36 50 A S T 34 S+ 0 0 47 1,-0.3 3,-0.2 -3,-0.2 -3,-0.1 0.812 74.0 48.0 -49.4 -41.2 27.2 -82.7 74.2 37 51 A D T 34 S+ 0 0 145 1,-0.2 -1,-0.3 -3,-0.1 67,-0.1 0.672 115.6 43.4 -79.3 -16.2 29.7 -84.4 76.5 38 52 A L T <4 S+ 0 0 33 -3,-1.6 66,-2.1 -7,-0.2 2,-0.4 0.602 94.9 93.3-100.3 -14.0 28.3 -87.9 76.0 39 53 A T E < +B 103 0A 0 -4,-1.3 2,-0.3 -3,-0.2 64,-0.2 -0.700 41.3 148.7-102.7 127.2 27.6 -88.0 72.3 40 54 A F E -B 102 0A 32 62,-2.3 62,-3.5 -2,-0.4 2,-0.2 -0.996 44.7-120.9-145.0 149.2 29.9 -89.3 69.5 41 55 A K E > -B 101 0A 23 -2,-0.3 4,-2.3 60,-0.2 60,-0.2 -0.590 46.1-110.4 -71.2 153.9 29.7 -90.8 66.1 42 56 A Q H > S+ 0 0 4 58,-0.5 4,-2.0 57,-0.3 5,-0.1 0.924 120.5 46.4 -57.8 -46.0 31.6 -94.1 66.4 43 57 A Y H > S+ 0 0 69 1,-0.2 4,-3.0 2,-0.2 48,-0.3 0.848 109.9 55.9 -63.4 -34.9 34.5 -92.9 64.2 44 58 A E H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.891 106.5 49.6 -63.4 -41.8 34.5 -89.6 66.2 45 59 A Y H X S+ 0 0 31 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.922 112.1 47.6 -63.0 -44.0 34.9 -91.6 69.5 46 60 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.950 112.0 50.5 -63.1 -47.6 37.8 -93.6 67.9 47 61 A N H X S+ 0 0 13 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.920 111.0 48.7 -53.3 -48.8 39.4 -90.3 66.6 48 62 A D H X S+ 0 0 65 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.928 109.8 52.5 -58.8 -46.1 39.1 -88.7 70.1 49 63 A L H < S+ 0 0 28 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 114.0 40.7 -58.0 -44.7 40.7 -91.8 71.8 50 64 A F H >< S+ 0 0 5 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.823 108.9 61.2 -78.2 -29.1 43.7 -91.8 69.6 51 65 A M H 3< S+ 0 0 97 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.835 103.1 50.4 -63.0 -36.2 44.1 -88.0 69.6 52 66 A K T 3< S+ 0 0 86 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.368 111.8 49.9 -87.0 5.0 44.6 -88.0 73.4 53 67 A N X + 0 0 48 -3,-1.2 3,-2.3 -5,-0.1 -1,-0.2 -0.341 62.8 154.5-134.8 54.6 47.3 -90.7 73.1 54 68 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.756 72.9 59.4 -59.0 -27.6 49.6 -89.4 70.4 55 69 A A T 3 S+ 0 0 84 -3,-0.1 2,-0.9 1,-0.1 -2,-0.0 0.680 87.5 87.7 -73.6 -16.3 52.6 -91.3 71.8 56 70 A I < + 0 0 53 -3,-2.3 2,-0.3 -6,-0.2 -3,-0.1 -0.744 60.6 163.1 -89.5 106.7 50.6 -94.5 71.3 57 71 A I + 0 0 106 -2,-0.9 4,-0.4 27,-0.0 5,-0.1 -0.801 30.2 46.6-123.8 164.2 51.3 -95.7 67.8 58 72 A G S > S- 0 0 14 25,-0.4 4,-1.5 -2,-0.3 5,-0.1 0.106 87.1 -91.0 82.1 154.9 50.9 -99.0 65.9 59 73 A H H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 119.9 56.0 -71.4 -39.8 47.7 -101.1 66.0 60 74 A E H > S+ 0 0 149 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.966 112.4 39.7 -55.2 -58.7 48.7 -103.3 68.9 61 75 A A H 4 S+ 0 0 42 -4,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.875 116.5 52.0 -61.2 -37.3 49.3 -100.5 71.4 62 76 A R H >< S+ 0 0 17 -4,-1.5 3,-1.1 1,-0.2 -1,-0.2 0.852 105.0 55.4 -70.3 -33.5 46.3 -98.6 70.0 63 77 A Y H >< S+ 0 0 38 -4,-2.6 3,-1.7 1,-0.2 4,-0.3 0.861 98.6 63.3 -63.8 -35.6 44.1 -101.6 70.5 64 78 A K G >< S+ 0 0 171 -4,-1.6 3,-0.8 1,-0.3 -1,-0.2 0.672 87.2 74.4 -63.2 -16.2 45.2 -101.7 74.2 65 79 A L G < S+ 0 0 43 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.661 82.0 67.0 -74.7 -15.2 43.5 -98.3 74.6 66 80 A F G < S- 0 0 15 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.771 82.7-156.3 -76.5 -25.3 40.0 -99.8 74.6 67 81 A N < + 0 0 92 -3,-0.8 -3,-0.1 -4,-0.3 -2,-0.1 0.765 66.4 78.0 54.8 30.2 40.6 -101.6 77.9 68 82 A S > - 0 0 10 1,-0.1 4,-2.5 2,-0.0 5,-0.2 -0.791 65.5-152.0-169.0 118.5 37.9 -104.1 76.9 69 83 A P H > S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.905 101.6 48.9 -58.3 -43.6 37.9 -107.1 74.5 70 84 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.922 113.7 44.2 -66.4 -45.9 34.1 -106.8 73.8 71 85 A L H > S+ 0 0 4 2,-0.2 4,-3.0 1,-0.2 5,-0.5 0.885 111.5 54.5 -65.9 -39.0 34.3 -103.0 73.1 72 86 A L H X S+ 0 0 44 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.944 111.7 45.9 -55.9 -48.2 37.4 -103.6 71.0 73 87 A F H < S+ 0 0 64 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.909 118.4 40.8 -60.9 -44.9 35.4 -106.1 69.0 74 88 A L H < S+ 0 0 3 -4,-2.5 24,-0.6 -5,-0.1 25,-0.2 0.829 129.1 22.8 -75.4 -31.4 32.3 -103.9 68.7 75 89 A L H < S+ 0 0 0 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.702 91.3 99.3-114.7 -26.1 34.0 -100.6 68.0 76 90 A S < - 0 0 25 -4,-2.0 2,-0.2 -5,-0.5 3,-0.1 -0.227 59.4-131.5 -72.5 156.4 37.5 -100.8 66.6 77 91 A R - 0 0 19 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.495 45.6 -75.2 -89.5 172.4 38.6 -100.5 62.9 78 92 A G > - 0 0 40 -2,-0.2 4,-2.3 1,-0.1 -1,-0.2 0.016 46.6 -96.3 -69.2 175.5 40.9 -103.1 61.4 79 93 A K H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.929 120.3 41.6 -63.2 -52.4 44.7 -103.5 62.0 80 94 A A H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 115.8 51.1 -61.1 -43.0 46.0 -101.6 59.0 81 95 A A H > S+ 0 0 44 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.892 112.5 46.7 -62.2 -40.0 43.4 -98.9 59.3 82 96 A T H < S+ 0 0 1 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.876 112.5 48.6 -71.2 -39.7 44.3 -98.4 63.0 83 97 A E H < S+ 0 0 100 -4,-2.3 -25,-0.4 1,-0.2 -1,-0.2 0.827 112.3 49.6 -69.7 -31.4 48.0 -98.4 62.3 84 98 A N H < S+ 0 0 105 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.555 83.7 119.1 -85.6 -11.9 47.6 -95.8 59.5 85 99 A W < + 0 0 15 -4,-0.7 2,-0.3 -3,-0.4 5,-0.2 -0.261 34.9 156.5 -51.7 138.2 45.5 -93.5 61.6 86 100 A S B > -F 89 0B 33 3,-0.9 3,-0.9 1,-0.0 -35,-0.1 -0.951 59.1 -97.0-153.1 174.6 47.0 -90.0 62.2 87 101 A I T 3 S+ 0 0 92 -2,-0.3 3,-0.4 1,-0.3 -2,-0.0 0.828 130.5 42.6 -64.0 -27.9 45.8 -86.5 63.0 88 102 A E T 3 S+ 0 0 164 1,-0.2 -1,-0.3 -3,-0.0 2,-0.1 0.481 117.3 48.3 -93.3 -6.2 45.9 -85.9 59.2 89 103 A N B < S+F 86 0B 88 -3,-0.9 -3,-0.9 -5,-0.0 -1,-0.2 -0.491 81.8 173.4-132.4 62.4 44.3 -89.2 58.4 90 104 A L - 0 0 63 -3,-0.4 2,-0.2 -5,-0.2 -3,-0.1 -0.208 38.2 -96.6 -73.2 158.2 41.3 -89.4 60.7 91 105 A F - 0 0 15 -48,-0.3 2,-0.2 -47,-0.0 -1,-0.1 -0.528 41.4-169.5 -67.7 140.6 38.6 -92.1 60.7 92 106 A E - 0 0 142 -2,-0.2 -1,-0.0 1,-0.2 -45,-0.0 -0.741 44.1 -54.8-119.2 174.8 35.5 -91.1 58.7 93 107 A E 0 0 90 -2,-0.2 -1,-0.2 1,-0.1 -52,-0.0 -0.169 360.0 360.0 -49.9 139.3 32.2 -92.9 58.7 94 108 A K 0 0 105 -3,-0.1 3,-1.8 -17,-0.0 -1,-0.1 -0.985 360.0 360.0-119.4 360.0 32.5 -96.6 57.7 95 ! 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 96 110 A N 0 0 139 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 30.7 29.6 -101.5 58.5 97 111 A D - 0 0 30 -3,-1.8 -22,-0.1 1,-0.1 -23,-0.1 -0.400 360.0-126.2 -55.5 139.4 30.4 -99.9 61.8 98 112 A T S S+ 0 0 19 -24,-0.6 2,-0.3 -2,-0.1 -1,-0.1 0.899 84.8 39.5 -55.8 -48.1 28.3 -101.5 64.6 99 113 A A - 0 0 7 -25,-0.2 -57,-0.3 1,-0.1 14,-0.2 -0.734 52.8-158.0-114.0 154.1 26.8 -98.2 65.9 100 114 A D S S+ 0 0 43 12,-2.0 -58,-0.5 1,-0.4 2,-0.4 0.833 88.7 10.8 -85.1 -45.4 25.4 -95.0 64.5 101 115 A I E -BC 41 112A 0 11,-2.3 11,-3.3 -60,-0.2 2,-0.4 -0.993 65.5-152.2-138.7 139.0 25.9 -93.0 67.7 102 116 A L E -BC 40 111A 0 -62,-3.5 -62,-2.3 -2,-0.4 2,-0.5 -0.951 4.0-167.7-110.8 135.9 27.7 -93.7 71.0 103 117 A L E +BC 39 110A 0 7,-2.5 7,-2.8 -2,-0.4 2,-0.4 -0.982 17.2 177.7-117.2 116.0 26.7 -92.2 74.3 104 118 A V E + C 0 109A 21 -66,-2.1 2,-0.3 -2,-0.5 5,-0.2 -0.971 10.2 164.3-126.2 133.6 29.4 -92.8 76.9 105 119 A K E > S- C 0 108A 35 3,-2.0 3,-1.7 -2,-0.4 -67,-0.1 -0.970 72.3 -7.7-147.5 128.0 29.5 -91.6 80.5 106 120 A D T 3 S- 0 0 154 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.904 127.9 -56.7 51.4 44.5 31.7 -92.8 83.3 107 121 A Q T 3 S+ 0 0 67 1,-0.2 2,-0.4 43,-0.0 -1,-0.3 0.671 109.4 124.4 63.3 17.4 33.0 -95.6 81.1 108 122 A F E < -C 105 0A 55 -3,-1.7 -3,-2.0 2,-0.0 2,-0.5 -0.940 50.0-147.6-104.7 136.5 29.6 -97.0 80.5 109 123 A Y E -Cd 104 150A 25 40,-3.1 42,-2.6 -2,-0.4 2,-0.6 -0.882 17.0-169.1-115.7 127.8 28.7 -97.3 76.8 110 124 A E E -Cd 103 151A 2 -7,-2.8 -7,-2.5 -2,-0.5 2,-0.7 -0.960 12.1-158.0-109.2 114.6 25.4 -97.0 75.0 111 125 A L E -Cd 102 152A 2 40,-3.0 42,-2.9 -2,-0.6 2,-0.5 -0.849 14.5-163.1 -90.3 115.3 25.5 -98.1 71.4 112 126 A L E -Cd 101 153A 1 -11,-3.3 -11,-2.3 -2,-0.7 -12,-2.0 -0.872 12.0-172.2-108.7 130.4 22.7 -96.5 69.5 113 127 A D E - d 0 154A 21 40,-2.2 42,-2.0 -2,-0.5 2,-0.4 -0.979 15.4-146.1-119.8 117.8 21.4 -97.6 66.2 114 128 A V E - d 0 155A 9 -2,-0.5 2,-0.7 40,-0.2 42,-0.2 -0.677 8.3-158.9 -80.9 130.1 18.8 -95.4 64.4 115 129 A K E - d 0 156A 40 40,-2.9 42,-2.4 -2,-0.4 2,-0.2 -0.875 6.6-160.9-112.8 102.6 16.2 -97.3 62.4 116 130 A T E - d 0 157A 75 -2,-0.7 2,-0.4 40,-0.2 42,-0.2 -0.506 11.1-169.3 -79.1 149.1 14.5 -95.1 59.8 117 131 A R E - d 0 158A 44 40,-2.1 42,-2.8 -2,-0.2 2,-1.1 -0.933 27.6-136.4-151.0 118.7 11.2 -96.3 58.4 118 132 A N E > - d 0 159A 62 -2,-0.4 3,-1.2 40,-0.2 42,-0.2 -0.628 21.2-167.5 -71.9 102.5 9.0 -95.3 55.5 119 133 A I T 3 S+ 0 0 47 40,-2.5 -1,-0.2 -2,-1.1 41,-0.2 0.452 77.9 69.0 -77.3 2.1 5.7 -95.5 57.3 120 134 A S T 3 S+ 0 0 90 39,-0.5 -1,-0.3 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2,-0.2 -2,-0.2 0.932 103.6 58.8 -64.0 -45.5 18.6 -123.4 59.4 228 242 A A H X S+ 0 0 7 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.935 113.0 39.0 -48.7 -50.3 21.2 -126.0 58.5 229 243 A I H >X S+ 0 0 108 -4,-1.6 4,-1.3 1,-0.2 3,-0.8 0.896 111.6 57.6 -65.7 -42.8 18.4 -128.5 58.1 230 244 A S H 3X S+ 0 0 55 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.802 96.6 64.7 -59.5 -30.8 16.0 -126.0 56.5 231 245 A M H 3X>S+ 0 0 4 -4,-2.3 4,-3.1 2,-0.2 5,-0.8 0.857 99.3 50.9 -63.8 -37.8 18.5 -125.3 53.7 232 246 A I H S+ 0 0 62 -3,-0.8 5,-2.9 -4,-0.7 4,-1.2 0.943 113.1 47.4 -62.6 -44.9 18.3 -128.8 52.4 233 247 A D H <5S+ 0 0 116 -4,-1.3 -2,-0.2 3,-0.2 -1,-0.2 0.879 125.6 27.8 -63.2 -38.7 14.5 -128.4 52.3 234 248 A K H <5S+ 0 0 38 -4,-2.4 -2,-0.2 3,-0.1 -3,-0.2 0.817 132.5 27.8 -96.3 -34.9 14.5 -125.0 50.6 235 249 A F H <5S+ 0 0 10 -4,-3.1 -3,-0.2 -5,-0.3 233,-0.2 0.599 128.4 29.8-111.6 -14.3 17.7 -125.0 48.5 236 250 A V T >X> S+ 0 0 0 2,-0.1 3,-1.5 1,-0.1 7,-0.2 0.836 95.2 69.9 -90.6 -38.8 26.7 -103.9 24.3 249 5 B K G > S+ 0 0 108 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.887 94.2 55.7 -48.8 -49.9 29.7 -106.1 23.7 250 6 B P G 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.741 116.5 37.2 -60.7 -23.3 30.1 -105.0 20.0 251 7 B I G <> S+ 0 0 36 -3,-1.5 4,-2.1 -4,-0.2 3,-0.3 0.086 81.4 115.0-112.6 22.2 30.3 -101.3 21.1 252 8 B Y H <> S+ 0 0 58 -3,-2.0 4,-3.2 1,-0.2 5,-0.3 0.891 73.5 55.9 -58.3 -43.1 32.3 -101.9 24.3 253 9 B Q H > S+ 0 0 88 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.899 107.6 51.2 -57.1 -39.8 35.3 -100.0 22.9 254 10 B D H > S+ 0 0 92 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.953 113.4 42.8 -62.0 -51.5 33.0 -97.1 22.4 255 11 B I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 3,-0.4 0.943 111.2 54.3 -59.1 -53.5 31.6 -97.1 25.9 256 12 B N H X S+ 0 0 47 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.872 109.1 49.9 -49.0 -42.6 34.9 -97.7 27.6 257 13 B S H < S+ 0 0 85 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.841 112.6 45.0 -69.5 -36.5 36.3 -94.6 25.8 258 14 B I H < S+ 0 0 82 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.831 115.5 46.9 -77.7 -31.3 33.5 -92.3 26.8 259 15 B L H >< S+ 0 0 4 -4,-2.5 3,-2.5 -5,-0.2 153,-0.3 0.916 90.1 88.9 -77.5 -46.1 33.4 -93.4 30.4 260 16 B I T 3< S+ 0 0 82 -4,-2.1 153,-0.2 1,-0.3 3,-0.1 -0.302 100.2 16.3 -57.4 132.5 37.1 -93.3 31.2 261 17 B G T 3 S+ 0 0 60 151,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.217 96.1 130.9 87.2 -15.3 38.0 -89.8 32.5 262 18 B Q < - 0 0 30 -3,-2.5 150,-2.0 149,-0.1 2,-0.4 -0.294 45.6-144.6 -67.7 158.1 34.4 -89.0 33.1 263 19 B K E -I 411 0D 70 148,-0.2 2,-0.3 -3,-0.1 148,-0.2 -0.987 17.0-165.8-136.8 131.2 33.5 -87.5 36.5 264 20 B V E I 410 0D 24 146,-2.0 146,-2.1 -2,-0.4 4,-0.1 -0.869 360.0 360.0-105.2 148.1 30.7 -87.7 39.0 265 21 B K 0 0 127 -2,-0.3 144,-0.2 144,-0.2 143,-0.0 -0.459 360.0 360.0 -76.0 360.0 30.5 -85.1 41.8 266 ! 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 0.0 267 37 B F 0 0 117 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 15.4 25.8 -92.8 39.7 268 38 B E + 0 0 6 1,-0.3 2,-1.0 133,-0.1 -6,-0.0 0.587 360.0 102.0 -70.0 -10.1 28.6 -93.6 37.3 269 39 B K > + 0 0 48 1,-0.3 3,-1.0 2,-0.1 -1,-0.3 0.079 38.8 114.6 -62.7 27.4 25.7 -95.7 36.2 270 40 B L T 3> + 0 0 81 -2,-1.0 4,-1.1 1,-0.2 -1,-0.3 -0.064 39.9 101.6 -83.7 26.5 25.4 -93.0 33.5 271 41 B V H 3> S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.743 72.7 66.4 -71.1 -26.0 26.3 -95.9 31.3 272 42 B Y H <> S+ 0 0 44 -3,-1.0 4,-3.6 2,-0.2 5,-0.3 0.931 93.8 54.5 -58.0 -49.3 22.6 -95.5 30.7 273 43 B K H > S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.943 111.3 43.7 -50.3 -55.5 23.0 -92.1 29.1 274 44 B F H X S+ 0 0 22 -4,-1.1 4,-1.1 1,-0.2 5,-0.2 0.911 117.2 46.1 -59.0 -44.3 25.4 -93.4 26.5 275 45 B L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.897 112.7 49.5 -66.6 -40.9 23.4 -96.6 25.9 276 46 B K H < S+ 0 0 64 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.790 114.8 45.7 -68.4 -27.1 20.1 -94.6 25.6 277 47 B E H < S+ 0 0 156 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.597 122.2 34.4 -93.5 -13.8 21.7 -92.2 23.2 278 48 B N H < S+ 0 0 98 -4,-1.1 -2,-0.2 -3,-0.3 -3,-0.2 0.653 133.4 25.7-111.6 -25.6 23.4 -94.8 21.0 279 49 B L S >X S+ 0 0 37 -4,-2.7 3,-1.7 -5,-0.2 4,-1.6 -0.400 74.9 158.0-131.5 54.3 20.9 -97.6 21.1 280 50 B S T 34 S+ 0 0 56 1,-0.3 -1,-0.1 2,-0.2 -3,-0.1 0.774 71.1 50.8 -54.2 -35.0 17.8 -95.5 21.8 281 51 B D T 34 S+ 0 0 151 1,-0.2 -1,-0.3 -3,-0.1 67,-0.1 0.704 116.7 39.8 -78.0 -18.0 15.3 -98.1 20.5 282 52 B L T <4 S+ 0 0 30 -3,-1.7 66,-2.3 -7,-0.2 2,-0.4 0.691 95.6 90.5-102.8 -23.2 16.8 -100.9 22.6 283 53 B T E < +J 347 0D 0 -4,-1.6 2,-0.3 -8,-0.2 64,-0.2 -0.657 40.6 150.8 -97.1 128.0 17.6 -99.4 26.0 284 54 B F E -J 346 0D 24 62,-2.9 62,-3.8 -2,-0.4 2,-0.2 -0.994 43.6-121.2-142.0 148.7 15.4 -99.1 29.1 285 55 B K E > -J 345 0D 9 -2,-0.3 4,-2.5 60,-0.2 5,-0.2 -0.577 48.6-104.7 -71.7 156.1 15.8 -98.9 32.8 286 56 B Q H > S+ 0 0 4 58,-0.7 4,-1.8 57,-0.3 5,-0.2 0.932 121.9 46.6 -55.3 -48.6 13.9 -101.9 34.2 287 57 B Y H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 48,-0.2 0.852 110.4 54.5 -63.2 -34.2 10.9 -99.8 35.4 288 58 B E H > S+ 0 0 47 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.929 105.9 51.6 -62.6 -47.7 10.9 -97.9 32.1 289 59 B Y H X S+ 0 0 18 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.889 111.3 48.2 -55.3 -42.0 10.6 -101.1 30.1 290 60 B L H X S+ 0 0 1 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.907 113.1 46.9 -67.5 -42.3 7.6 -102.1 32.3 291 61 B N H X S+ 0 0 16 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.964 113.8 48.9 -60.0 -52.9 5.9 -98.8 31.9 292 62 B D H X S+ 0 0 86 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.942 110.5 51.0 -48.7 -56.4 6.5 -98.9 28.2 293 63 B L H < S+ 0 0 23 -4,-2.9 -1,-0.2 1,-0.2 4,-0.2 0.890 115.2 41.2 -52.0 -47.2 5.1 -102.5 28.0 294 64 B F H >< S+ 0 0 3 -4,-2.2 3,-1.2 1,-0.2 6,-0.2 0.877 111.1 55.4 -75.0 -36.9 1.9 -101.6 29.8 295 65 B M H 3< S+ 0 0 102 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.848 103.6 56.4 -61.4 -34.6 1.4 -98.2 28.1 296 66 B K T 3< S+ 0 0 71 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.529 108.7 48.8 -78.6 -6.6 1.5 -99.9 24.7 297 67 B N X + 0 0 56 -3,-1.2 3,-2.2 -4,-0.2 -1,-0.3 -0.399 62.7 157.6-128.9 60.4 -1.3 -102.3 25.8 298 68 B P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.753 71.1 64.2 -52.0 -30.7 -4.0 -99.9 27.2 299 69 B A T 3 S+ 0 0 99 -3,-0.1 2,-0.6 2,-0.0 -3,-0.0 0.591 86.6 84.7 -74.9 -10.4 -6.7 -102.5 26.6 300 70 B I < + 0 0 45 -3,-2.2 2,-0.3 -6,-0.2 -3,-0.1 -0.851 59.4 174.0-102.6 118.9 -5.1 -104.9 29.1 301 71 B I + 0 0 113 -2,-0.6 4,-0.5 5,-0.0 5,-0.1 -0.819 36.3 33.4-126.3 156.9 -6.1 -104.3 32.8 302 72 B G S > S- 0 0 6 25,-0.4 4,-2.1 -2,-0.3 5,-0.2 0.251 86.4 -87.7 74.9 154.9 -5.4 -106.2 36.0 303 73 B H H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.839 120.1 58.3 -68.5 -37.6 -2.3 -108.1 36.9 304 74 B E H > S+ 0 0 153 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.945 113.2 39.2 -60.6 -47.9 -3.3 -111.5 35.5 305 75 B A H >> S+ 0 0 41 -4,-0.5 3,-0.9 1,-0.2 4,-0.8 0.912 116.2 50.5 -68.0 -43.9 -3.7 -110.1 32.0 306 76 B R H 3< S+ 0 0 11 -4,-2.1 3,-0.4 1,-0.3 4,-0.4 0.811 103.7 60.1 -66.9 -28.9 -0.7 -107.8 32.2 307 77 B Y H >< S+ 0 0 38 -4,-2.5 3,-0.7 1,-0.2 5,-0.4 0.753 98.3 59.5 -67.8 -23.6 1.4 -110.7 33.4 308 78 B K H X< S+ 0 0 82 -3,-0.9 3,-1.5 -4,-0.7 -1,-0.2 0.795 87.3 75.2 -74.0 -27.5 0.5 -112.3 30.1 309 79 B L T 3< S+ 0 0 23 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.753 85.4 64.7 -52.7 -27.6 2.1 -109.4 28.2 310 80 B F T < S- 0 0 11 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.831 85.3-156.7 -68.7 -31.5 5.5 -110.9 29.2 311 81 B N < + 0 0 150 -3,-1.5 -3,-0.1 -4,-0.3 -2,-0.1 0.819 66.4 77.3 57.8 33.2 4.9 -114.0 27.1 312 82 B S > - 0 0 9 -5,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.711 64.7-153.7-173.7 113.8 7.5 -115.8 29.2 313 83 B P H > S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.938 101.9 50.9 -56.2 -46.8 7.4 -117.3 32.7 314 84 B T H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.942 113.9 41.8 -58.4 -51.3 11.1 -116.8 33.1 315 85 B L H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.5 0.847 111.5 57.7 -65.3 -33.9 11.1 -113.1 32.1 316 86 B L H X S+ 0 0 43 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.971 108.7 46.4 -54.5 -53.7 8.0 -112.7 34.2 317 87 B F H < S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.851 117.1 43.0 -59.1 -37.2 9.9 -113.9 37.2 318 88 B L H < S+ 0 0 2 -4,-1.8 24,-0.5 -5,-0.2 -1,-0.2 0.809 127.2 21.4 -82.9 -29.1 12.9 -111.8 36.5 319 89 B L H < S+ 0 0 2 -4,-2.3 -3,-0.2 -3,-0.2 -2,-0.2 0.712 91.8 100.9-116.0 -27.7 11.4 -108.4 35.6 320 90 B S < - 0 0 33 -4,-2.1 2,-0.1 -5,-0.5 3,-0.1 -0.282 58.7-132.3 -76.1 149.6 7.8 -108.0 36.8 321 91 B R - 0 0 28 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.344 47.2 -70.6 -80.1 172.9 6.6 -106.1 39.9 322 92 B G > - 0 0 46 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.135 47.2-102.7 -64.7 163.4 4.2 -107.7 42.4 323 93 B K H > S+ 0 0 132 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.901 119.9 45.6 -55.9 -48.8 0.5 -108.4 41.6 324 94 B A H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 113.4 49.5 -62.7 -45.4 -0.9 -105.4 43.5 325 95 B A H > S+ 0 0 44 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.903 114.0 47.6 -59.0 -40.0 1.7 -103.0 42.1 326 96 B T H >< S+ 0 0 0 -4,-2.6 3,-0.6 2,-0.2 -2,-0.2 0.918 112.7 45.9 -69.8 -46.3 0.9 -104.4 38.6 327 97 B E H 3< S+ 0 0 97 -4,-2.8 -25,-0.4 1,-0.2 -2,-0.2 0.891 113.6 50.9 -64.1 -37.4 -2.9 -104.1 38.9 328 98 B N H 3< S+ 0 0 108 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.602 85.8 114.7 -76.7 -12.3 -2.6 -100.6 40.4 329 99 B W << + 0 0 13 -3,-0.6 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