==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 07-NOV-01 1KC6 . COMPND 2 MOLECULE: 5'-D(P*CP*CP*GP*GP*TP*CP*GP*AP*CP*CP*GP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.C.HORTON,L.F.DORNER,J.J.PERONA . 965 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 703 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 14.2 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 . 10 1.0 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 . 75 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.1 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 2 4 5 3 0 3 1 0 5 3 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 4 11 1 3 1 0 0 1 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 4 0 1 3 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 47 0, 0.0 180,-0.0 0, 0.0 115,-0.0 0.000 360.0 360.0 360.0 147.3 -0.5 22.6 200.5 2 3 A F + 0 0 46 2,-0.1 108,-0.1 107,-0.1 42,-0.0 0.468 360.0 48.7 -93.7 -3.5 -1.0 23.3 196.8 3 4 A I S > S+ 0 0 0 2,-0.1 3,-2.9 106,-0.1 4,-0.3 0.827 93.2 71.9-100.0 -43.3 1.1 20.2 196.1 4 5 A K G > S+ 0 0 107 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.857 93.3 56.9 -40.1 -52.5 -0.5 17.7 198.4 5 6 A P G 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.698 118.1 33.3 -59.5 -18.0 -3.6 17.4 196.2 6 7 A I G <> S+ 0 0 32 -3,-2.9 4,-1.9 1,-0.1 3,-0.4 0.088 80.2 116.9-123.9 23.6 -1.5 16.5 193.2 7 8 A Y H <> S+ 0 0 59 -3,-1.9 4,-2.1 -4,-0.3 5,-0.2 0.835 75.6 56.5 -58.6 -34.2 1.2 14.5 195.1 8 9 A Q H > S+ 0 0 66 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.873 105.2 50.6 -68.1 -36.2 0.2 11.4 193.1 9 10 A D H > S+ 0 0 86 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.907 110.8 48.8 -68.9 -38.5 0.8 13.1 189.8 10 11 A I H X S+ 0 0 1 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.912 112.0 48.3 -64.6 -44.7 4.2 14.3 190.8 11 12 A N H >X S+ 0 0 38 -4,-2.1 4,-2.7 1,-0.2 3,-0.7 0.921 109.0 55.3 -63.1 -42.7 5.2 10.8 192.1 12 13 A S H 3< S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.902 108.3 45.6 -56.4 -47.5 3.9 9.3 188.8 13 14 A I H 3< S+ 0 0 73 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.634 117.9 45.3 -75.8 -12.7 6.0 11.4 186.5 14 15 A L H X< S+ 0 0 0 -4,-1.0 3,-2.2 -3,-0.7 160,-0.5 0.879 86.0 93.0 -95.5 -48.3 9.1 10.8 188.7 15 16 A I T 3< S+ 0 0 76 -4,-2.7 160,-0.2 1,-0.3 3,-0.1 -0.270 103.5 2.6 -59.6 117.2 9.2 7.1 189.5 16 17 A G T 3 S+ 0 0 47 158,-2.5 -1,-0.3 1,-0.3 2,-0.3 0.284 93.1 138.3 93.0 -9.7 11.2 5.1 187.0 17 18 A Q < - 0 0 91 -3,-2.2 157,-1.2 157,-0.1 -1,-0.3 -0.523 40.3-150.4 -72.2 132.9 12.3 8.2 185.0 18 19 A K E -A 173 0A 88 -2,-0.3 2,-0.3 155,-0.2 155,-0.2 -0.764 13.8-174.0-104.0 150.8 16.0 8.1 184.0 19 20 A V E -A 172 0A 29 153,-1.8 153,-2.2 -2,-0.3 10,-0.0 -0.992 37.6 -98.0-140.5 141.2 18.4 11.0 183.4 20 21 A K E -A 171 0A 76 -2,-0.3 151,-0.2 151,-0.2 150,-0.0 -0.347 47.3-107.7 -60.8 137.8 21.9 10.8 182.1 21 22 A R 0 0 49 149,-2.3 -1,-0.1 1,-0.1 4,-0.0 -0.408 360.0 360.0 -68.1 141.1 24.5 10.9 184.9 22 23 A P 0 0 142 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.692 360.0 360.0-120.6 360.0 26.6 14.1 185.3 23 ! 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 24 32 A A > 0 0 117 0, 0.0 3,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.1 24.2 17.9 193.3 25 33 A A T 3 + 0 0 41 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.443 360.0 53.0 -84.5 0.9 24.0 14.7 191.2 26 34 A G T >> S+ 0 0 0 1,-0.1 3,-1.7 2,-0.1 4,-0.8 0.354 72.2 104.7-114.6 0.1 20.3 14.7 191.9 27 35 A E H X> + 0 0 33 -3,-0.6 4,-2.3 1,-0.3 3,-1.5 0.912 69.2 71.1 -47.1 -49.6 19.5 18.3 190.8 28 36 A P H 3> S+ 0 0 36 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.796 96.5 51.1 -39.6 -38.1 17.9 16.9 187.6 29 37 A F H <> S+ 0 0 0 -3,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.869 107.6 51.5 -72.6 -33.5 14.9 15.6 189.6 30 38 A E H X S+ 0 0 24 -4,-1.3 4,-1.0 2,-0.2 3,-0.9 0.948 113.4 47.0 -67.6 -53.1 5.9 19.9 186.1 37 45 A L H 3X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.3 3,-0.3 0.833 109.5 54.0 -57.1 -36.9 4.6 22.4 188.7 38 46 A K H 3< S+ 0 0 61 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.738 113.4 44.3 -71.9 -20.6 5.2 25.2 186.2 39 47 A E H << S+ 0 0 131 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.544 123.3 32.7 -99.2 -10.6 3.1 23.3 183.7 40 48 A N H < S+ 0 0 91 -4,-1.0 -2,-0.2 -3,-0.3 -3,-0.2 0.413 135.0 23.2-126.2 -1.8 0.3 22.2 186.0 41 49 A L S >X S+ 0 0 41 -4,-1.6 3,-2.7 -5,-0.2 4,-1.6 -0.212 75.1 158.8-154.5 40.7 -0.0 25.1 188.4 42 50 A S T 34 S+ 0 0 45 1,-0.3 3,-0.3 2,-0.2 -3,-0.1 0.829 71.9 50.1 -39.5 -49.8 1.6 27.8 186.2 43 51 A D T 34 S+ 0 0 143 1,-0.2 -1,-0.3 66,-0.0 67,-0.1 0.565 115.0 43.5 -74.0 -5.4 0.0 30.8 188.1 44 52 A L T <4 S+ 0 0 23 -3,-2.7 66,-1.4 -7,-0.2 2,-0.4 0.654 95.3 91.7-109.0 -19.3 1.1 29.5 191.5 45 53 A T E < +B 109 0A 0 -4,-1.6 2,-0.3 -3,-0.3 64,-0.2 -0.637 40.7 149.8 -94.3 134.2 4.7 28.4 190.8 46 54 A F E -B 108 0A 36 62,-2.1 62,-3.1 -2,-0.4 2,-0.4 -0.990 44.0-122.1-151.3 149.7 7.8 30.4 191.1 47 55 A K E > -B 107 0A 10 -2,-0.3 4,-1.8 60,-0.2 3,-0.5 -0.767 47.2-106.9 -89.1 144.1 11.5 29.8 191.9 48 56 A Q H > S+ 0 0 7 58,-0.6 4,-1.6 -2,-0.4 3,-0.3 0.871 121.6 41.0 -40.7 -47.9 12.2 32.0 195.0 49 57 A Y H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.855 107.8 61.4 -71.9 -32.9 14.2 34.5 193.0 50 58 A E H > S+ 0 0 44 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.816 104.6 52.0 -60.7 -28.8 11.7 34.4 190.1 51 59 A Y H X S+ 0 0 30 -4,-1.8 4,-3.2 -3,-0.3 5,-0.2 0.976 105.7 50.7 -71.9 -54.8 9.2 35.6 192.6 52 60 A L H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.867 110.1 51.5 -50.1 -45.2 11.2 38.6 193.8 53 61 A N H X S+ 0 0 15 -4,-2.1 4,-3.3 2,-0.2 -1,-0.2 0.949 111.9 45.3 -60.7 -49.7 11.8 39.8 190.3 54 62 A D H X S+ 0 0 48 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.947 111.2 53.5 -58.4 -48.9 8.1 39.6 189.4 55 63 A L H < S+ 0 0 19 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 116.3 39.2 -51.2 -45.0 7.2 41.4 192.6 56 64 A F H >< S+ 0 0 3 -4,-2.4 3,-1.2 -5,-0.2 6,-0.2 0.842 113.3 55.0 -75.5 -34.8 9.6 44.2 191.7 57 65 A M H 3< S+ 0 0 86 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.868 101.2 58.0 -67.7 -34.7 8.8 44.2 188.1 58 66 A K T 3< S+ 0 0 158 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.344 110.9 46.9 -75.9 6.8 5.0 44.7 188.8 59 67 A N X + 0 0 54 -3,-1.2 3,-1.6 -5,-0.2 -1,-0.3 -0.430 63.1 157.7-146.9 63.9 6.0 47.9 190.6 60 68 A P T 3 S+ 0 0 106 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.858 72.0 62.4 -59.3 -37.9 8.4 49.8 188.5 61 69 A A T 3 S+ 0 0 87 1,-0.1 2,-0.9 -3,-0.1 -3,-0.0 0.528 86.6 88.2 -69.1 -1.7 7.7 53.1 190.1 62 70 A I < + 0 0 57 -3,-1.6 2,-0.2 -6,-0.2 -1,-0.1 -0.774 55.6 159.4-103.3 93.5 9.1 51.7 193.4 63 71 A I + 0 0 115 -2,-0.9 4,-0.3 4,-0.0 26,-0.1 -0.715 33.6 51.6-108.7 163.3 12.8 52.2 193.6 64 72 A G S > S- 0 0 17 25,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.267 84.3 -95.3 89.7 143.3 15.1 52.2 196.6 65 73 A H H > S+ 0 0 59 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.927 116.2 56.7 -60.6 -50.2 15.4 49.5 199.2 66 74 A E H 4 S+ 0 0 50 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.884 114.0 40.0 -49.2 -47.7 13.0 51.0 201.9 67 75 A A H >> S+ 0 0 36 -4,-0.3 3,-1.5 2,-0.2 4,-0.7 0.930 113.8 53.1 -68.6 -47.7 10.1 51.1 199.5 68 76 A R H >< S+ 0 0 20 -4,-2.2 3,-1.1 1,-0.3 4,-0.4 0.870 105.1 55.3 -58.8 -33.9 10.9 47.8 197.8 69 77 A Y G >< S+ 0 0 50 -4,-3.1 3,-0.6 1,-0.2 -1,-0.3 0.725 98.1 64.8 -70.1 -18.8 10.9 46.2 201.3 70 78 A K G X4 S+ 0 0 149 -3,-1.5 3,-1.2 -4,-0.5 -1,-0.2 0.738 85.7 75.0 -73.0 -22.4 7.4 47.6 201.7 71 79 A L G << S+ 0 0 30 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.777 81.9 65.7 -61.9 -29.9 6.2 45.4 198.9 72 80 A F G < S- 0 0 13 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.732 83.9-153.8 -66.6 -22.7 6.3 42.2 201.0 73 81 A N S < S+ 0 0 153 -3,-1.2 -1,-0.1 -4,-0.2 -2,-0.1 0.705 70.3 65.7 53.2 22.4 3.4 43.5 203.2 74 82 A S > - 0 0 14 1,-0.1 4,-2.1 2,-0.0 5,-0.1 -0.764 69.0-146.1-172.0 126.0 4.8 41.3 206.0 75 83 A P H > S+ 0 0 58 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.839 99.9 54.7 -59.3 -40.3 8.0 41.2 208.2 76 84 A T H > S+ 0 0 0 2,-0.2 4,-2.0 70,-0.2 5,-0.1 0.926 110.9 43.3 -62.5 -49.1 8.1 37.4 208.5 77 85 A L H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.930 111.8 54.6 -64.7 -44.6 7.9 36.8 204.8 78 86 A L H X S+ 0 0 47 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.919 107.8 50.1 -54.5 -45.7 10.4 39.5 204.1 79 87 A F H < S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.909 117.1 41.7 -57.6 -44.3 12.9 37.9 206.5 80 88 A L H < S+ 0 0 4 -4,-2.0 24,-0.5 -5,-0.1 -2,-0.2 0.724 129.8 23.3 -77.7 -24.7 12.3 34.6 204.7 81 89 A L H < S+ 0 0 0 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.651 91.5 108.5-119.5 -18.4 12.4 35.8 201.1 82 90 A S < - 0 0 29 -4,-3.0 -13,-0.0 -5,-0.4 -30,-0.0 -0.156 52.8-148.0 -61.5 155.9 14.3 39.1 200.9 83 91 A R - 0 0 36 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.455 44.8-102.0-105.6 -3.2 17.7 39.6 199.4 84 92 A G > - 0 0 30 3,-0.1 4,-3.6 1,-0.1 5,-0.3 -0.085 39.3 -65.7 102.0 154.6 19.3 42.3 201.4 85 93 A K H > S+ 0 0 133 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.899 124.5 34.8 -42.7 -74.5 20.1 46.1 201.2 86 94 A A H > S+ 0 0 63 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.882 122.2 49.0 -55.4 -43.7 22.6 46.5 198.4 87 95 A A H > S+ 0 0 40 -4,-0.3 4,-0.6 2,-0.2 -2,-0.2 0.928 115.0 43.3 -64.6 -47.3 21.0 43.6 196.4 88 96 A T H < S+ 0 0 1 -4,-3.6 3,-0.3 2,-0.2 -2,-0.2 0.876 118.4 45.9 -66.6 -36.8 17.5 45.0 196.8 89 97 A E H < S+ 0 0 88 -4,-3.2 -25,-0.3 -5,-0.3 -2,-0.2 0.920 112.6 48.1 -73.4 -44.1 18.7 48.6 196.1 90 98 A N H < S+ 0 0 97 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.545 85.3 123.7 -77.1 -1.5 20.8 47.7 193.0 91 99 A W < + 0 0 17 -4,-0.6 2,-0.3 -3,-0.3 -27,-0.2 -0.335 31.6 156.1 -62.4 135.5 18.0 45.6 191.6 92 100 A S B > -F 95 0B 37 3,-0.8 3,-1.0 -2,-0.1 -35,-0.1 -0.930 58.7-104.3-150.0 169.7 16.9 46.6 188.1 93 101 A I T 3 S+ 0 0 127 -2,-0.3 3,-0.3 1,-0.3 -2,-0.0 0.713 128.7 46.4 -72.5 -15.8 15.2 45.1 185.1 94 102 A E T 3 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.0 -3,-0.0 0.396 117.7 43.3-102.3 -0.2 18.7 45.0 183.6 95 103 A N B < S+F 92 0B 94 -3,-1.0 -3,-0.8 2,-0.0 -1,-0.2 -0.400 85.6 179.6-142.0 58.4 20.2 43.5 186.8 96 104 A L - 0 0 76 -3,-0.3 2,-0.1 -5,-0.2 -3,-0.1 0.001 33.5 -93.1 -60.5 159.9 17.7 40.9 187.9 97 105 A F - 0 0 16 -48,-0.2 2,-0.3 -5,-0.1 -1,-0.1 -0.441 44.0-165.1 -73.9 150.8 17.8 38.6 190.9 98 106 A E - 0 0 147 -2,-0.1 -1,-0.0 1,-0.1 -45,-0.0 -0.799 34.1 -66.7-129.8 173.0 19.4 35.2 190.4 99 107 A E - 0 0 134 -2,-0.3 2,-0.4 2,-0.1 -1,-0.1 -0.283 47.4-166.8 -58.5 143.7 19.5 31.9 192.3 100 108 A K > - 0 0 97 -3,-0.0 3,-2.1 0, 0.0 2,-0.4 -0.990 26.7-131.7-136.3 127.5 21.5 32.1 195.6 101 109 A Q T 3 S+ 0 0 213 -2,-0.4 -2,-0.1 1,-0.3 0, 0.0 0.215 106.7 60.8 -67.8 23.0 22.6 28.9 197.5 102 110 A N T 3 S+ 0 0 107 -2,-0.4 -1,-0.3 3,-0.1 -3,-0.0 0.590 70.1 128.1-117.9 -27.7 21.1 30.6 200.5 103 111 A D < - 0 0 31 -3,-2.1 -22,-0.1 1,-0.1 -23,-0.0 0.029 61.8-132.7 -38.4 132.7 17.6 31.0 199.4 104 112 A T S S+ 0 0 21 -24,-0.5 2,-0.3 2,-0.0 -1,-0.1 0.847 83.9 34.0 -57.7 -35.2 15.2 29.5 202.0 105 113 A A - 0 0 5 -25,-0.2 -57,-0.2 1,-0.1 14,-0.2 -0.814 52.6-154.6-127.2 162.8 13.3 27.6 199.3 106 114 A D S S+ 0 0 53 12,-1.8 -58,-0.6 1,-0.3 2,-0.4 0.823 90.6 19.9 -94.4 -48.8 13.6 25.8 196.1 107 115 A I E -BC 47 118A 0 11,-2.8 11,-2.7 -60,-0.2 2,-0.4 -0.955 64.5-158.5-129.3 145.9 10.0 26.4 194.9 108 116 A L E -BC 46 117A 0 -62,-3.1 -62,-2.1 -2,-0.4 2,-0.4 -0.980 6.7-176.5-123.9 131.9 7.3 28.9 195.9 109 117 A L E +BC 45 116A 0 7,-1.7 7,-2.5 -2,-0.4 2,-0.4 -0.983 10.4 177.1-129.7 118.5 3.6 28.4 195.4 110 118 A V E + C 0 115A 25 -66,-1.4 2,-0.3 -2,-0.4 5,-0.2 -0.949 7.1 161.6-125.5 144.1 1.3 31.3 196.3 111 119 A K E > S+ C 0 114A 116 3,-1.9 3,-2.1 -2,-0.4 -67,-0.0 -0.955 70.0 2.2-159.4 140.3 -2.5 31.6 196.0 112 120 A D T 3 S- 0 0 92 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.847 131.2 -58.4 47.1 37.5 -5.1 33.9 197.6 113 121 A Q T 3 S+ 0 0 163 1,-0.2 2,-0.4 43,-0.0 -1,-0.3 0.784 110.8 125.1 67.2 24.6 -2.1 35.5 199.4 114 122 A F E < -C 111 0A 42 -3,-2.1 -3,-1.9 2,-0.0 2,-0.4 -0.954 47.5-148.1-115.6 139.6 -1.1 32.3 201.0 115 123 A Y E -Cd 110 156A 26 40,-2.7 42,-2.4 -2,-0.4 2,-0.6 -0.890 13.1-166.4-116.4 136.2 2.5 30.9 200.6 116 124 A E E -Cd 109 157A 1 -7,-2.5 -7,-1.7 -2,-0.4 2,-1.1 -0.949 12.0-155.0-114.9 111.9 3.9 27.4 200.4 117 125 A L E -Cd 108 158A 2 40,-3.5 42,-1.6 -2,-0.6 2,-0.6 -0.738 15.6-164.3 -86.1 98.2 7.7 27.2 200.8 118 126 A L E -Cd 107 159A 0 -11,-2.7 -11,-2.8 -2,-1.1 -12,-1.8 -0.736 11.3-179.1 -90.9 121.3 8.7 24.0 199.0 119 127 A D E - d 0 160A 21 40,-2.4 42,-1.2 -2,-0.6 2,-0.6 -0.951 14.9-152.2-118.1 112.0 12.2 22.6 199.7 120 128 A V E - d 0 161A 10 -2,-0.6 2,-0.4 40,-0.2 42,-0.2 -0.772 5.5-158.4 -94.3 121.8 13.0 19.4 197.8 121 129 A K E - d 0 162A 39 40,-1.8 42,-3.4 -2,-0.6 2,-0.3 -0.789 2.9-156.7 -97.4 126.2 15.5 16.9 199.3 122 130 A T E - d 0 163A 52 -2,-0.4 2,-0.3 40,-0.2 42,-0.2 -0.780 9.4-170.3-103.3 149.3 17.3 14.3 197.1 123 131 A R E - d 0 164A 49 40,-2.0 42,-2.6 -2,-0.3 2,-1.0 -0.985 24.1-134.9-144.1 127.2 18.7 11.1 198.5 124 132 A N E > - d 0 165A 56 -2,-0.3 3,-1.2 40,-0.2 42,-0.2 -0.721 19.1-162.1 -81.9 102.8 21.1 8.4 197.0 125 133 A I T 3 S+ 0 0 50 40,-2.8 41,-0.2 -2,-1.0 -1,-0.2 0.490 77.6 81.5 -68.1 -4.7 19.3 5.2 198.0 126 134 A S T 3 S+ 0 0 78 39,-0.4 2,-0.3 2,-0.0 -1,-0.3 0.345 95.5 50.4 -82.8 9.0 22.4 3.2 197.4 127 135 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2,-0.2 -2,-0.2 0.875 110.6 50.6 -63.5 -37.3 12.5 23.6 222.4 226 234 A F H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.966 109.9 48.6 -65.0 -52.4 15.1 25.7 220.7 227 235 A V H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.885 112.3 48.5 -53.6 -47.6 16.1 27.6 223.8 228 236 A T H X S+ 0 0 67 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.951 111.2 49.2 -61.8 -48.8 16.5 24.5 225.9 229 237 A Q H X S+ 0 0 73 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.893 109.7 52.1 -60.3 -39.0 18.6 22.7 223.3 230 238 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.931 111.3 47.2 -62.4 -44.2 20.9 25.7 222.9 231 239 A E H X S+ 0 0 73 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.955 113.1 48.3 -61.6 -47.4 21.4 25.8 226.7 232 240 A Q H X S+ 0 0 39 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.880 110.8 52.5 -59.3 -38.1 22.0 22.0 226.8 233 241 A R H X S+ 0 0 45 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.918 101.7 58.5 -64.8 -43.5 24.4 22.5 223.9 234 242 A A H X S+ 0 0 12 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.875 110.6 44.4 -53.7 -38.6 26.3 25.2 225.7 235 243 A I H >X S+ 0 0 111 -4,-1.5 4,-1.8 2,-0.2 3,-0.5 0.930 110.0 54.6 -72.3 -45.5 27.0 22.6 228.4 236 244 A S H 3X S+ 0 0 53 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.892 100.9 59.9 -53.8 -46.2 27.9 19.8 226.0 237 245 A M H 3X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.881 104.7 48.5 -54.1 -40.5 30.5 21.9 224.3 238 246 A I H S+ 0 0 61 -4,-0.9 5,-2.6 -3,-0.5 4,-1.2 0.937 113.4 49.1 -66.7 -41.6 32.5 22.2 227.6 239 247 A D H <5S+ 0 0 92 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.872 124.3 26.6 -63.8 -39.7 32.2 18.5 228.1 240 248 A K H <5S+ 0 0 115 -4,-2.7 -2,-0.2 3,-0.1 -3,-0.2 0.840 131.9 31.6 -94.7 -36.0 33.4 17.5 224.7 241 249 A F H <5S+ 0 0 5 -4,-2.6 -3,-0.2 -5,-0.3 239,-0.2 0.349 129.3 26.4-106.5 2.4 35.6 20.3 223.5 242 250 A V T >X5S+ 0 0 10 -4,-1.2 3,-2.2 -5,-0.3 4,-1.5 0.595 110.4 52.7-124.6 -70.6 37.1 21.6 226.8 243 251 A K T 34< S+ 0 0 107 -4,-1.5 3,-0.6 -3,-0.4 4,-0.5 0.688 76.8 68.4 -60.8 -17.6 42.3 20.9 229.2 247 255 A K G 3 S+ 0 0 142 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.373 93.8 55.1 -85.0 3.5 45.3 18.6 230.0 248 256 A Y G < S+ 0 0 28 -3,-2.0 -1,-0.2 225,-0.1 -2,-0.2 0.490 95.0 66.4-110.7 -8.0 47.4 19.9 227.0 249 257 A I < 0 0 31 -3,-0.6 -2,-0.1 -4,-0.4 -3,-0.1 0.736 360.0 360.0 -85.7 -26.5 47.3 23.6 227.9 250 258 A L 0 0 141 -4,-0.5 -1,-0.2 0, 0.0 -4,-0.0 -0.139 360.0 360.0 56.0 360.0 49.3 23.4 231.1 251 !* 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 0.0 252 2 B S 0 0 38 0, 0.0 179,-0.0 0, 0.0 113,-0.0 0.000 360.0 360.0 360.0 131.6 55.7 19.9 200.8 253 3 B F + 0 0 45 2,-0.1 4,-0.1 1,-0.1 107,-0.0 0.522 360.0 52.7 -93.9 -13.8 56.5 17.9 197.7 254 4 B I S > S+ 0 0 0 2,-0.1 3,-1.8 1,-0.1 7,-0.2 0.838 96.2 65.7 -88.7 -40.6 54.2 20.2 195.7 255 5 B K G > S+ 0 0 117 1,-0.3 3,-2.5 2,-0.2 4,-0.4 0.889 90.4 62.6 -51.9 -48.1 55.7 23.5 196.7 256 6 B P G 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.767 118.3 30.9 -53.6 -20.2 59.1 22.9 195.0 257 7 B I G <> S+ 0 0 43 -3,-1.8 4,-1.1 -4,-0.1 3,-0.5 0.154 84.8 115.4-124.3 22.9 57.1 22.8 191.8 258 8 B Y H X> S+ 0 0 54 -3,-2.5 4,-2.8 1,-0.2 3,-1.1 0.917 72.3 58.0 -55.1 -52.5 54.3 25.2 192.6 259 9 B Q H 3> S+ 0 0 71 -4,-0.4 4,-1.5 1,-0.3 -1,-0.2 0.838 105.9 51.0 -49.5 -39.1 55.3 27.8 190.0 260 10 B D H 3> S+ 0 0 97 -3,-0.5 4,-1.5 2,-0.2 -1,-0.3 0.801 110.8 48.3 -70.8 -29.8 54.9 25.1 187.3 261 11 B I H < S+ 0 0 2 -4,-2.5 3,-3.1 2,-0.1 159,-0.3 0.936 87.7 91.4 -79.3 -48.7 46.3 25.8 185.7 266 16 B I T 3< S+ 0 0 70 -4,-1.8 159,-0.2 -5,-0.3 3,-0.1 -0.256 98.2 20.8 -51.7 117.8 46.0 29.5 184.8 267 17 B G T 3 S+ 0 0 45 157,-1.6 -1,-0.3 1,-0.4 -2,-0.1 0.358 90.9 138.1 102.8 -6.6 44.0 29.6 181.6 268 18 B Q < - 0 0 63 -3,-3.1 156,-2.2 1,-0.0 -1,-0.4 -0.408 38.9-149.2 -71.9 153.6 42.5 26.2 182.0 269 19 B K E -J 423 0E 115 154,-0.2 2,-0.3 -3,-0.1 154,-0.2 -0.923 13.2-172.4-126.2 147.2 38.8 25.8 181.1 270 20 B V E -J 422 0E 17 152,-1.7 152,-3.1 -2,-0.3 2,-0.2 -0.997 40.5 -89.6-138.7 145.9 36.0 23.5 182.4 271 21 B K E J 421 0E 93 -2,-0.3 150,-0.3 150,-0.2 149,-0.0 -0.321 360.0 360.0 -58.0 119.4 32.5 23.0 181.2 272 22 B R 0 0 71 148,-1.6 149,-0.2 -2,-0.2 -1,-0.1 0.995 360.0 360.0 -59.9 360.0 30.1 25.4 182.9 273 ! 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 0.0 274 32 B A 0 0 118 0, 0.0 2,-1.4 0, 0.0 98,-0.1 0.000 360.0 360.0 360.0 119.6 30.9 21.8 194.5 275 33 B A + 0 0 83 1,-0.2 0, 0.0 -3,-0.0 0, 0.0 -0.641 360.0 39.4 83.6 -87.3 30.7 23.8 191.2 276 34 B G S > S+ 0 0 0 -2,-1.4 3,-1.4 1,-0.2 4,-0.5 0.008 79.5 125.2 -84.6 31.9 34.3 24.2 190.2 277 35 B E T >> + 0 0 41 1,-0.3 3,-2.9 2,-0.2 4,-0.7 0.939 56.5 71.5 -54.4 -51.5 35.1 20.7 191.4 278 36 B P H >> S+ 0 0 52 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.715 86.3 68.4 -38.3 -29.7 36.5 19.6 188.0 279 37 B F H X> S+ 0 0 0 -3,-1.4 4,-2.1 1,-0.3 3,-0.5 0.891 91.1 58.8 -62.9 -37.2 39.6 21.8 188.8 280 38 B E H <> S+ 0 0 33 -3,-2.9 4,-1.9 -4,-0.5 -1,-0.3 0.819 102.3 56.7 -62.0 -23.8 40.6 19.5 191.6 281 39 B K H X + 0 0 31 -4,-1.3 4,-2.3 -5,-0.2 3,-2.2 -0.209 69.6 155.2-150.1 48.5 54.9 13.1 190.9 292 50 B S T 34 S+ 0 0 50 1,-0.3 -3,-0.1 -3,-0.3 -2,-0.1 0.801 74.0 49.9 -48.7 -40.0 53.5 9.7 189.8 293 51 B D T 34 S+ 0 0 140 1,-0.2 -1,-0.3 -3,-0.1 67,-0.1 0.508 118.8 37.6 -83.0 -1.8 55.1 7.8 192.7 294 52 B L T <4 S+ 0 0 20 -3,-2.2 66,-1.4 -7,-0.2 2,-0.4 0.664 91.6 96.0-118.6 -22.3 53.8 10.1 195.3 295 53 B T E < +K 359 0E 0 -4,-2.3 2,-0.3 -8,-0.3 64,-0.2 -0.571 45.0 158.3 -79.4 123.9 50.3 11.2 194.1 296 54 B F E -K 358 0E 27 62,-1.7 62,-3.1 -2,-0.4 2,-0.2 -1.000 41.9-129.2-144.0 138.8 47.4 9.3 195.5 297 55 B K E > -K 357 0E 30 -2,-0.3 4,-2.2 60,-0.2 60,-0.2 -0.569 45.8-109.1 -74.6 158.8 43.7 9.9 196.0 298 56 B Q H > S+ 0 0 4 58,-0.5 4,-1.8 57,-0.4 -1,-0.1 0.932 120.5 42.8 -58.7 -42.6 43.1 9.1 199.6 299 57 B Y H > S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.880 108.0 60.4 -70.5 -34.4 41.2 5.9 198.8 300 58 B E H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.927 105.6 48.9 -58.0 -43.1 43.7 5.0 196.2 301 59 B Y H X S+ 0 0 14 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.930 110.3 49.4 -62.5 -46.6 46.4 5.0 198.9 302 60 B L H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.936 112.1 48.7 -58.8 -46.0 44.3 2.8 201.2 303 61 B N H X S+ 0 0 15 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.914 113.0 47.9 -60.5 -42.3 43.6 0.4 198.4 304 62 B D H X S+ 0 0 61 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.935 110.2 52.0 -63.5 -45.0 47.3 0.3 197.5 305 63 B L H < S+ 0 0 8 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.881 114.5 41.7 -58.4 -42.4 48.2 -0.2 201.2 306 64 B F H >< S+ 0 0 6 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.781 108.3 60.3 -78.3 -29.4 45.9 -3.2 201.6 307 65 B M H 3< S+ 0 0 102 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.889 102.7 50.8 -65.7 -40.3 46.7 -4.8 198.2 308 66 B K T 3< S+ 0 0 135 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.237 104.7 62.0 -83.6 15.0 50.4 -5.2 199.1 309 67 B N X + 0 0 44 -3,-1.1 3,-0.8 3,-0.1 -1,-0.2 -0.382 56.5 153.1-136.6 57.9 49.6 -6.9 202.4 310 68 B P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.824 71.6 58.4 -54.3 -41.5 47.7 -10.1 201.3 311 69 B A T 3 S+ 0 0 95 -3,-0.1 2,-0.5 2,-0.0 -2,-0.1 0.854 93.0 80.8 -61.7 -33.8 48.6 -12.1 204.4 312 70 B I < + 0 0 54 -3,-0.8 2,-0.3 -6,-0.1 -3,-0.1 -0.633 59.4 164.4 -79.4 119.4 47.0 -9.4 206.6 313 71 B I + 0 0 122 -2,-0.5 4,-0.4 0, 0.0 26,-0.1 -0.953 34.5 43.9-133.8 154.9 43.2 -9.8 206.9 314 72 B G S > S- 0 0 15 -2,-0.3 4,-2.3 25,-0.3 5,-0.2 0.204 84.4 -92.7 91.0 146.8 40.6 -8.3 209.3 315 73 B H H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.882 120.2 60.9 -61.6 -40.4 40.4 -4.7 210.6 316 74 B E H > S+ 0 0 72 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.950 114.9 33.2 -52.1 -53.5 42.4 -5.3 213.7 317 75 B A H > S+ 0 0 39 -4,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.832 115.8 58.1 -74.7 -31.3 45.5 -6.3 211.7 318 76 B R H >< S+ 0 0 25 -4,-2.3 3,-0.7 1,-0.2 4,-0.3 0.859 102.6 53.2 -67.0 -35.0 44.7 -3.9 208.8 319 77 B Y H >X S+ 0 0 48 -4,-2.7 3,-1.4 1,-0.2 4,-0.6 0.844 100.1 62.3 -67.8 -33.9 44.8 -0.8 211.1 320 78 B K H >< S+ 0 0 71 -4,-1.0 3,-0.5 -5,-0.3 -1,-0.2 0.762 87.6 75.7 -63.0 -21.5 48.2 -1.9 212.4 321 79 B L T << S+ 0 0 40 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.762 85.4 61.1 -61.6 -27.0 49.4 -1.4 208.8 322 80 B F T <4 S- 0 0 11 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.884 85.6-156.5 -67.1 -41.5 49.4 2.4 209.2 323 81 B N << + 0 0 152 -4,-0.6 -3,-0.1 -3,-0.5 -2,-0.1 0.841 63.9 82.1 66.0 34.3 51.9 2.3 211.9 324 82 B S > - 0 0 8 1,-0.1 4,-2.1 2,-0.1 5,-0.2 -0.774 64.0-152.4-168.9 119.3 50.7 5.7 213.3 325 83 B P H > S+ 0 0 61 0, 0.0 4,-1.8 0, 0.0 72,-0.1 0.861 101.2 47.5 -64.1 -34.6 47.8 6.5 215.6 326 84 B T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.972 113.1 44.6 -71.5 -56.0 47.5 10.0 214.1 327 85 B L H >>S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.6 0.849 112.0 56.2 -57.7 -32.6 47.7 9.0 210.4 328 86 B L H X5S+ 0 0 47 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.941 108.6 46.3 -62.8 -45.9 45.2 6.2 211.3 329 87 B F H <5S+ 0 0 70 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.914 119.0 40.7 -61.3 -46.6 42.8 8.8 212.6 330 88 B L H <5S+ 0 0 6 -4,-2.5 24,-0.4 1,-0.1 25,-0.2 0.755 130.2 21.9 -73.5 -31.4 43.2 11.1 209.6 331 89 B L H <5S+ 0 0 1 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.806 92.3 106.6-107.9 -41.0 43.2 8.6 206.8 332 90 B S << - 0 0 31 -4,-1.5 2,-0.2 -5,-0.6 3,-0.1 0.212 55.0-137.6 -42.1 157.4 41.6 5.3 207.9 333 91 B R - 0 0 24 1,-0.2 5,-0.1 2,-0.1 -1,-0.1 -0.591 41.6 -61.2-112.6 176.6 38.2 4.1 206.9 334 92 B G > - 0 0 42 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.043 41.8-115.5 -60.3 161.7 35.5 2.5 209.0 335 93 B K H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.936 117.2 43.9 -60.2 -51.7 35.8 -0.7 211.0 336 94 B A H > S+ 0 0 68 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.639 116.8 49.9 -70.9 -14.4 33.2 -2.6 209.0 337 95 B A H > S+ 0 0 37 2,-0.2 4,-0.6 -3,-0.2 -2,-0.2 0.792 109.5 47.6 -93.0 -33.3 34.7 -1.2 205.8 338 96 B T H < S+ 0 0 1 -4,-2.6 -24,-0.3 2,-0.2 3,-0.2 0.845 114.5 49.8 -73.4 -30.5 38.3 -2.1 206.7 339 97 B E H < S+ 0 0 85 -4,-2.1 -25,-0.3 -5,-0.2 -2,-0.2 0.908 113.7 43.8 -72.1 -43.7 37.0 -5.6 207.6 340 98 B N H < S+ 0 0 103 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.452 85.6 122.2 -83.4 -2.8 35.0 -6.0 204.3 341 99 B W < + 0 0 11 -4,-0.6 2,-0.3 -3,-0.2 5,-0.2 -0.277 32.1 144.4 -60.1 148.1 37.8 -4.6 202.0 342 100 B S B > -O 345 0F 37 3,-1.1 3,-1.3 1,-0.1 -35,-0.1 -0.956 64.8 -88.7-173.0 169.0 39.0 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