==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 28-MAR-06 2GIE . COMPND 2 MOLECULE: 5'-D(*GP*CP*CP*GP*GP*TP*TP*AP*AP*CP*CP*GP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.C.HORTON,H.K.JOSHI,C.ETZKORN,L.CHATWELL,J.BITINAITE . 1024 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 729 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 12.8 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 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 2 0.2 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 . 98 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 28.3 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 3 5 1 4 5 0 3 0 1 2 4 0 0 0 0 0 0 0 0 0 0 1 1 2 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 3 8 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 1 2 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 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 39 0, 0.0 164,-0.0 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0 105.3 -0.6 22.6 199.3 2 3 A F + 0 0 42 1,-0.2 4,-0.3 2,-0.1 115,-0.1 0.481 360.0 53.7 -76.5 0.5 -1.3 23.3 195.7 3 4 A I S > S+ 0 0 4 2,-0.1 3,-1.0 1,-0.1 -1,-0.2 0.837 87.1 71.0-102.8 -41.7 0.8 20.2 195.0 4 5 A K G > S+ 0 0 127 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.793 93.2 62.2 -46.3 -36.2 -0.7 17.4 197.1 5 6 A P G 3 S+ 0 0 94 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.921 114.0 30.9 -59.4 -46.9 -3.8 17.4 194.8 6 7 A I G <> S+ 0 0 41 -3,-1.0 4,-1.2 -4,-0.3 -2,-0.2 -0.072 86.1 118.6-104.3 34.0 -1.8 16.4 191.7 7 8 A Y H <> S+ 0 0 36 -3,-1.2 4,-3.0 1,-0.2 3,-0.3 0.915 70.9 52.8 -63.8 -49.5 0.8 14.4 193.5 8 9 A Q H > S+ 0 0 136 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.825 106.4 55.7 -57.1 -33.5 0.1 11.0 191.9 9 10 A D H > S+ 0 0 74 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.887 110.1 45.9 -65.0 -40.5 0.5 12.7 188.5 10 11 A I H >X S+ 0 0 1 -4,-1.2 4,-1.5 -3,-0.3 3,-0.8 0.953 112.2 49.3 -66.0 -52.8 3.9 13.9 189.6 11 12 A N H 3X S+ 0 0 42 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.814 111.3 51.7 -59.1 -30.0 4.9 10.5 191.0 12 13 A S H 3< S+ 0 0 81 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.711 109.8 46.3 -81.6 -22.3 3.8 8.8 187.7 13 14 A I H << S+ 0 0 69 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.672 116.8 46.3 -91.0 -18.6 5.7 11.1 185.3 14 15 A L H >< S+ 0 0 3 -4,-1.5 3,-1.0 -5,-0.1 167,-0.5 0.865 90.0 83.6 -90.2 -45.8 8.9 10.8 187.4 15 16 A I B 3< S+a 181 0A 65 -4,-1.8 167,-0.2 1,-0.2 3,-0.1 -0.448 103.5 15.3 -67.0 132.3 9.2 7.1 188.2 16 17 A G T 3 S+ 0 0 47 165,-2.3 -1,-0.2 1,-0.3 2,-0.2 -0.096 91.5 130.1 97.5 -33.9 10.9 5.2 185.4 17 18 A Q < - 0 0 93 -3,-1.0 164,-1.5 -4,-0.1 2,-0.4 -0.347 44.2-155.7 -60.4 121.5 12.2 8.4 183.7 18 19 A K E -B 180 0A 113 162,-0.2 2,-0.4 -2,-0.2 162,-0.2 -0.812 10.7-173.8-100.3 138.4 15.9 8.1 182.9 19 20 A V E -B 179 0A 29 160,-3.3 160,-3.3 -2,-0.4 17,-0.1 -0.998 33.1-108.7-132.1 127.4 18.1 11.2 182.6 20 21 A K E -B 178 0A 71 -2,-0.4 158,-0.3 158,-0.3 3,-0.1 -0.213 44.2-105.1 -53.0 142.8 21.7 10.9 181.5 21 22 A R - 0 0 83 156,-2.3 -1,-0.1 1,-0.1 2,-0.1 -0.228 41.7 -81.8 -71.0 159.7 24.1 11.6 184.3 22 23 A P > - 0 0 10 0, 0.0 2,-1.0 0, 0.0 3,-0.6 -0.388 41.6-116.8 -62.7 134.8 26.2 14.8 184.8 23 24 A K T 3 S+ 0 0 108 256,-0.5 257,-0.1 1,-0.2 -2,-0.0 0.198 105.7 67.5 -61.6 21.4 29.3 14.8 182.6 24 25 A S T 3 S- 0 0 26 -2,-1.0 -1,-0.2 255,-0.1 256,-0.0 0.825 87.3-138.8-105.5 -57.5 31.4 14.9 185.8 25 26 A G S < S+ 0 0 27 -3,-0.6 -2,-0.1 6,-0.2 -4,-0.0 0.275 71.9 103.7 112.0 -8.5 30.9 11.6 187.6 26 27 A T - 0 0 26 261,-0.1 3,-0.1 2,-0.1 6,-0.1 1.000 45.0-177.7 -65.5 -74.8 30.7 12.9 191.2 27 28 A L + 0 0 24 4,-0.9 2,-0.3 1,-0.3 5,-0.2 0.757 37.4 132.2 74.6 28.5 27.0 12.8 192.0 28 29 A S > - 0 0 18 3,-0.2 3,-1.3 259,-0.1 -1,-0.3 -0.774 69.1 -35.9-105.6 153.7 27.6 14.4 195.4 29 30 A G G > S+ 0 0 46 -2,-0.3 3,-0.6 1,-0.3 5,-0.4 0.092 131.2 3.4 36.2-132.5 25.5 17.2 196.7 30 31 A H G 3 S+ 0 0 76 1,-0.3 2,-1.0 3,-0.1 4,-0.4 0.808 126.8 66.3 -49.6 -37.0 24.4 19.8 194.1 31 32 A A G < S+ 0 0 10 -3,-1.3 -4,-0.9 2,-0.1 -1,-0.3 -0.205 97.0 63.8 -83.1 44.7 26.0 17.8 191.4 32 33 A A S < S- 0 0 6 -2,-1.0 -4,-0.1 -3,-0.6 4,-0.1 -0.058 110.1 -1.6-131.3-126.2 23.5 14.9 191.8 33 34 A G S >> S+ 0 0 0 1,-0.3 3,-5.1 -6,-0.2 4,-0.6 0.598 88.9 121.1 -48.9 -14.0 19.8 14.5 191.4 34 35 A E H >> + 0 0 46 -5,-0.4 4,-1.4 -4,-0.4 3,-0.6 0.679 66.4 59.6 -20.6 -47.7 19.7 18.3 190.5 35 36 A P H 3> S+ 0 0 26 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.714 95.8 63.3 -64.2 -18.4 18.1 17.5 187.1 36 37 A F H <> S+ 0 0 0 -3,-5.1 4,-2.6 2,-0.2 -2,-0.2 0.894 98.8 53.7 -71.2 -38.3 15.2 15.8 188.8 37 38 A E H X S+ 0 0 26 -4,-2.1 3,-1.7 -3,-0.3 4,-0.9 0.976 114.6 44.5 -61.5 -56.4 5.8 19.5 184.9 44 45 A L H >X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.3 3,-0.9 0.888 105.4 60.9 -54.2 -45.6 4.3 22.0 187.3 45 46 A K H 3< S+ 0 0 60 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.667 114.3 38.4 -60.0 -13.2 5.1 24.9 185.0 46 47 A E H <4 S+ 0 0 140 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.510 123.6 36.9-113.4 -10.1 2.8 23.1 182.5 47 48 A N H << S+ 0 0 90 -4,-0.9 -2,-0.2 -3,-0.9 -3,-0.2 0.325 135.2 21.9-124.4 5.4 0.1 21.8 184.8 48 49 A L S >X S+ 0 0 36 -4,-2.0 3,-3.1 -5,-0.2 4,-1.6 -0.158 81.0 162.6-158.8 32.9 -0.1 24.7 187.3 49 50 A S T 34 S+ 0 0 42 1,-0.3 -4,-0.1 2,-0.2 -5,-0.0 0.640 72.2 42.9 -32.6 -37.0 1.4 27.1 184.8 50 51 A D T 34 S+ 0 0 141 1,-0.1 -1,-0.3 3,-0.0 67,-0.1 0.549 115.1 47.0 -94.9 -9.5 0.1 30.2 186.7 51 52 A L T <4 S+ 0 0 28 -3,-3.1 66,-1.6 -7,-0.2 2,-0.6 0.583 94.4 94.4-101.9 -15.1 1.0 29.1 190.2 52 53 A T E < +C 116 0A 0 -4,-1.6 2,-0.3 -8,-0.2 64,-0.2 -0.707 45.3 153.6 -92.1 118.1 4.5 27.9 189.4 53 54 A F E -C 115 0A 25 62,-3.3 62,-4.3 -2,-0.6 2,-0.4 -0.966 41.6-127.0-137.8 152.4 7.5 30.1 189.8 54 55 A K E > -C 114 0A 16 -2,-0.3 4,-3.1 60,-0.2 5,-0.2 -0.769 39.6-115.2 -90.5 144.4 11.2 29.7 190.5 55 56 A Q H > S+ 0 0 7 58,-0.5 4,-2.1 -2,-0.4 5,-0.2 0.927 118.7 40.2 -46.8 -55.3 12.1 31.8 193.5 56 57 A Y H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.899 114.9 56.0 -62.4 -34.8 14.3 34.2 191.5 57 58 A E H > S+ 0 0 41 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.887 105.2 50.3 -62.9 -39.7 11.7 34.0 188.8 58 59 A Y H X S+ 0 0 31 -4,-3.1 4,-3.1 1,-0.2 -1,-0.2 0.927 110.5 50.0 -64.5 -43.9 9.0 35.2 191.2 59 60 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 5,-0.3 0.891 108.3 52.1 -61.9 -39.9 11.1 38.1 192.3 60 61 A N H X S+ 0 0 11 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.848 112.9 46.0 -66.9 -32.3 11.8 39.1 188.7 61 62 A D H X S+ 0 0 58 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.936 109.5 54.7 -73.0 -46.6 8.0 39.1 188.1 62 63 A L H < S+ 0 0 20 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.920 115.6 37.5 -52.4 -50.0 7.3 41.0 191.3 63 64 A F H >< S+ 0 0 4 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.860 114.1 55.2 -74.3 -34.3 9.6 43.8 190.4 64 65 A M H 3< S+ 0 0 94 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.874 103.6 55.9 -65.2 -35.4 8.8 43.8 186.7 65 66 A K T 3< S+ 0 0 157 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.350 113.5 44.0 -75.9 5.9 5.0 44.2 187.5 66 67 A N X + 0 0 59 -3,-1.4 3,-1.8 -5,-0.2 -1,-0.3 -0.235 63.1 149.8-146.8 52.2 6.0 47.3 189.4 67 68 A P T 3 + 0 0 102 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.681 66.7 72.4 -59.4 -21.3 8.5 49.2 187.2 68 69 A A T 3 S+ 0 0 95 1,-0.1 2,-0.6 -3,-0.1 -3,-0.0 0.742 88.8 70.6 -68.8 -23.6 7.3 52.5 188.7 69 70 A I < + 0 0 50 -3,-1.8 2,-0.2 -6,-0.2 -3,-0.1 -0.866 59.0 167.6-108.6 125.6 9.0 51.8 192.0 70 71 A I + 0 0 118 -2,-0.6 4,-0.4 29,-0.0 5,-0.1 -0.584 35.9 60.8-117.1 179.1 12.8 51.8 192.4 71 72 A G S > S- 0 0 12 25,-0.3 4,-0.8 -2,-0.2 5,-0.1 0.043 85.6 -91.1 82.4 162.6 15.2 51.8 195.4 72 73 A H H > S+ 0 0 48 2,-0.2 4,-2.7 1,-0.1 5,-0.2 0.904 118.9 54.0 -81.4 -40.0 15.3 49.0 197.9 73 74 A E H > S+ 0 0 132 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.900 110.5 46.8 -61.4 -40.6 12.8 50.3 200.5 74 75 A A H 4 S+ 0 0 34 -4,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.819 114.0 49.4 -69.8 -30.8 10.0 50.6 197.9 75 76 A R H >< S+ 0 0 18 -4,-0.8 3,-1.0 1,-0.2 -2,-0.2 0.857 105.4 56.2 -77.0 -33.8 10.8 47.2 196.6 76 77 A Y H >< S+ 0 0 44 -4,-2.7 3,-0.8 1,-0.3 5,-0.3 0.715 100.8 59.8 -69.7 -17.2 10.8 45.7 200.0 77 78 A K G >< S+ 0 0 144 -4,-0.8 3,-1.5 1,-0.2 -1,-0.3 0.706 85.4 78.1 -80.2 -20.2 7.3 47.0 200.4 78 79 A L G < S+ 0 0 27 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.521 86.3 62.1 -64.9 -5.6 6.2 44.9 197.4 79 80 A F G < S- 0 0 11 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.2 0.700 83.0-158.3 -92.8 -22.5 6.2 42.0 199.7 80 81 A N S < S+ 0 0 152 -3,-1.5 -3,-0.1 -4,-0.2 -2,-0.1 0.729 70.0 71.6 50.0 24.9 3.4 43.3 202.0 81 82 A S > - 0 0 11 -5,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.870 68.4-149.0-168.5 130.2 4.8 40.9 204.6 82 83 A P H > S+ 0 0 48 0, 0.0 4,-3.1 0, 0.0 3,-0.2 0.960 101.0 49.4 -66.2 -52.3 7.9 40.7 206.8 83 84 A T H > S+ 0 0 0 70,-0.4 4,-3.1 1,-0.2 5,-0.2 0.919 110.7 51.2 -53.0 -48.6 8.1 36.9 207.0 84 85 A L H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.871 110.9 48.5 -59.8 -37.4 7.8 36.7 203.2 85 86 A L H X S+ 0 0 49 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.930 111.5 50.2 -68.4 -44.1 10.6 39.2 202.7 86 87 A F H < S+ 0 0 63 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.965 116.8 40.7 -57.6 -51.3 12.7 37.3 205.2 87 88 A L H < S+ 0 0 6 -4,-3.1 24,-0.5 -5,-0.2 -1,-0.2 0.801 131.7 18.5 -69.2 -32.1 12.1 34.0 203.4 88 89 A L H < S+ 0 0 2 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.641 91.9 104.8-118.5 -16.5 12.3 35.2 199.8 89 90 A S < - 0 0 32 -4,-2.5 2,-0.1 -5,-0.3 3,-0.1 -0.340 57.2-129.3 -78.9 153.9 14.1 38.5 199.3 90 91 A R - 0 0 22 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.380 44.8 -72.7 -86.6 168.4 17.5 39.3 198.0 91 92 A G > - 0 0 45 -2,-0.1 4,-3.3 1,-0.1 5,-0.2 0.014 43.2-103.6 -60.5 168.2 20.0 41.5 199.8 92 93 A K H > S+ 0 0 139 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.951 121.2 45.0 -55.9 -54.2 19.9 45.3 200.2 93 94 A A H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.903 118.0 43.4 -57.2 -46.9 22.6 45.9 197.5 94 95 A A H > S+ 0 0 40 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.918 110.8 53.9 -67.1 -46.5 21.1 43.4 195.1 95 96 A T H < S+ 0 0 0 -4,-3.3 3,-0.3 1,-0.2 -1,-0.2 0.861 113.2 44.6 -56.0 -38.7 17.5 44.5 195.6 96 97 A E H < S+ 0 0 87 -4,-2.0 -25,-0.3 -5,-0.2 -1,-0.2 0.769 111.4 52.8 -76.5 -29.8 18.6 48.0 194.8 97 98 A N H < S+ 0 0 108 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.538 82.8 119.0 -85.5 -7.2 20.7 47.0 191.8 98 99 A W < + 0 0 17 -4,-1.0 2,-0.3 -3,-0.3 5,-0.2 -0.300 33.7 152.8 -62.5 142.7 17.8 45.0 190.2 99 100 A S B > -G 102 0B 40 3,-1.2 3,-0.5 -29,-0.1 -35,-0.1 -0.964 61.3 -97.2-160.0 168.5 16.6 46.1 186.7 100 101 A I T 3 S+ 0 0 134 -2,-0.3 3,-0.2 1,-0.3 -2,-0.1 0.657 131.3 43.6 -66.4 -13.5 15.0 44.8 183.5 101 102 A E T 3 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.543 118.0 45.0-105.1 -14.1 18.6 44.6 182.3 102 103 A N B < S+G 99 0B 95 -3,-0.5 -3,-1.2 -5,-0.0 -1,-0.2 -0.572 81.7 179.1-131.1 69.8 20.0 43.2 185.5 103 104 A L - 0 0 72 -3,-0.2 -3,-0.1 -5,-0.2 2,-0.1 -0.272 33.2 -97.6 -72.8 155.0 17.6 40.4 186.5 104 105 A F - 0 0 16 -48,-0.2 2,-0.2 -47,-0.1 -1,-0.1 -0.377 41.4-165.7 -69.2 148.7 17.8 38.1 189.5 105 106 A E - 0 0 142 1,-0.2 -1,-0.0 -2,-0.1 -45,-0.0 -0.671 36.7 -60.5-125.4-178.9 19.3 34.7 189.0 106 107 A E - 0 0 71 -2,-0.2 2,-0.4 -50,-0.1 -1,-0.2 -0.297 51.9-159.1 -61.1 149.9 19.5 31.4 190.9 107 108 A K > - 0 0 92 1,-0.1 3,-2.4 -3,-0.1 178,-0.0 -0.978 23.9-134.6-139.5 124.4 21.2 31.8 194.3 108 109 A Q T 3 S+ 0 0 117 -2,-0.4 -1,-0.1 1,-0.3 177,-0.0 0.765 107.8 55.5 -43.7 -31.2 22.8 29.0 196.3 109 110 A N T 3 S+ 0 0 110 -3,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.677 72.8 130.8 -76.3 -26.6 21.1 30.6 199.3 110 111 A D < - 0 0 26 -3,-2.4 -22,-0.1 1,-0.1 -23,-0.1 -0.064 54.1-142.6 -41.4 118.5 17.5 30.6 198.1 111 112 A T S S+ 0 0 16 -24,-0.5 2,-0.2 2,-0.0 -1,-0.1 0.847 79.4 39.6 -50.3 -43.6 15.2 29.1 200.7 112 113 A A - 0 0 5 -25,-0.2 14,-0.2 1,-0.1 -57,-0.2 -0.695 57.9-152.8-114.4 165.6 13.0 27.3 198.1 113 114 A D S S+ 0 0 41 12,-2.0 -58,-0.5 1,-0.4 2,-0.3 0.813 87.4 9.4 -97.8 -47.8 13.4 25.5 194.8 114 115 A I E -CD 54 125A 0 11,-2.3 11,-2.2 -60,-0.2 2,-0.4 -0.971 68.9-143.4-134.6 151.8 10.0 26.3 193.4 115 116 A L E -CD 53 124A 0 -62,-4.3 -62,-3.3 -2,-0.3 2,-0.5 -0.960 8.4-169.0-118.8 132.9 7.2 28.6 194.4 116 117 A L E +CD 52 123A 0 7,-1.7 7,-2.9 -2,-0.4 2,-0.4 -0.982 15.6 174.9-120.3 117.5 3.5 28.0 194.1 117 118 A V E + D 0 122A 21 -66,-1.6 2,-0.2 -2,-0.5 5,-0.2 -0.988 11.8 147.7-130.6 137.0 1.3 31.0 194.8 118 119 A K S S+ 0 0 101 3,-1.7 3,-0.1 -2,-0.4 -67,-0.1 -0.779 71.6 7.5-167.3 117.5 -2.5 31.5 194.5 119 120 A D S S- 0 0 140 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.881 128.8 -58.8 75.1 41.5 -4.8 33.7 196.6 120 121 A Q S S+ 0 0 156 1,-0.2 2,-0.4 43,-0.0 -1,-0.2 0.725 112.0 125.1 60.9 19.2 -2.0 35.5 198.4 121 122 A F - 0 0 31 -3,-0.1 -3,-1.7 2,-0.0 2,-0.4 -0.929 46.3-155.3-112.7 136.9 -1.0 32.1 199.7 122 123 A Y E -De 117 163A 23 40,-3.0 42,-2.5 -2,-0.4 2,-0.6 -0.926 11.3-164.4-119.1 133.3 2.5 30.6 199.2 123 124 A E E -De 116 164A 0 -7,-2.9 -7,-1.7 -2,-0.4 2,-1.0 -0.939 13.2-154.1-110.8 109.8 3.8 27.1 199.1 124 125 A L E -De 115 165A 3 40,-3.6 42,-1.9 -2,-0.6 2,-0.6 -0.745 16.2-165.6 -83.4 102.6 7.6 26.9 199.5 125 126 A L E -De 114 166A 2 -11,-2.2 -11,-2.3 -2,-1.0 -12,-2.0 -0.833 12.2-177.6-100.4 120.0 8.6 23.6 197.7 126 127 A D E - e 0 167A 18 40,-2.2 42,-1.4 -2,-0.6 2,-0.6 -0.960 15.1-152.5-112.5 112.0 12.1 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H 3X>S+ 0 0 45 -4,-0.9 4,-1.7 -3,-0.3 5,-1.7 0.922 106.2 52.6 -59.9 -47.5 32.3 21.4 225.9 246 247 A D H 3<5S+ 0 0 93 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.716 123.3 30.3 -64.9 -18.3 32.2 17.8 226.8 247 248 A K H <<5S+ 0 0 108 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.736 128.8 31.6-112.3 -28.3 33.2 16.9 223.3 248 249 A F H <5S+ 0 0 5 -4,-3.9 -3,-0.2 -5,-0.2 246,-0.2 0.415 126.6 32.1-110.8 2.7 35.4 19.7 221.9 249 250 A V T ><5S+ 0 0 4 -4,-1.7 3,-1.9 -5,-0.4 4,-0.4 0.705 114.2 42.3-119.2 -67.7 37.1 20.9 225.1 250 251 A K G >> S+ 0 0 10 -3,-1.9 4,-0.8 1,-0.1 3,-0.8 0.314 85.2 98.5-123.6 5.7 41.8 18.0 224.4 253 254 A K T <4 S+ 0 0 112 -3,-2.0 2,-1.3 -4,-0.4 3,-0.5 0.888 70.8 74.3 -60.3 -38.5 42.6 19.7 227.8 254 255 A K T 3< S+ 0 0 165 -4,-0.6 -1,-0.3 1,-0.2 -4,-0.0 0.074 99.2 43.8 -66.5 28.3 45.5 17.2 228.3 255 256 A Y T <4 0 0 37 -2,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.508 360.0 360.0-136.5 -41.3 47.7 19.1 225.7 256 257 A I < 0 0 99 -4,-0.8 -2,-0.2 -3,-0.5 -3,-0.1 0.738 360.0 360.0 -65.4 360.0 47.2 22.7 226.4 257 !* 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 0.0 258 2 B S 0 0 36 0, 0.0 164,-0.0 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0 125.5 55.6 19.3 199.3 259 3 B F + 0 0 48 2,-0.1 4,-0.3 1,-0.1 115,-0.0 0.608 360.0 53.1 -93.0 -14.3 56.3 17.6 196.1 260 4 B I S >> S+ 0 0 0 2,-0.1 3,-2.2 1,-0.1 4,-0.8 0.900 90.5 71.1 -86.4 -47.3 54.2 20.1 194.2 261 5 B K G >4 S+ 0 0 100 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.833 94.4 55.9 -38.5 -49.7 55.7 23.4 195.3 262 6 B P G 34 S+ 0 0 109 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.810 117.7 34.9 -58.4 -28.8 59.0 22.8 193.3 263 7 B I G X> S+ 0 0 42 -3,-2.2 4,-1.6 -4,-0.3 3,-1.1 0.353 87.4 109.5-106.1 4.8 56.9 22.4 190.1 264 8 B Y H S+ 0 0 80 -4,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.856 109.4 49.5 -59.8 -33.2 55.3 27.6 188.5 266 10 B D H <> S+ 0 0 87 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.869 110.3 47.8 -74.1 -38.7 54.8 25.0 185.9 267 11 B I H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.896 112.2 49.6 -70.7 -37.8 51.4 23.9 187.1 268 12 B N H X S+ 0 0 37 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.922 111.0 51.1 -64.9 -41.4 50.2 27.6 187.3 269 13 B S H < S+ 0 0 84 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.960 114.3 41.8 -60.1 -52.0 51.5 28.1 183.8 270 14 B I H < S+ 0 0 78 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.847 116.1 49.9 -65.5 -35.6 49.7 25.1 182.3 271 15 B L H >< S+ 0 0 4 -4,-2.6 3,-3.7 -5,-0.2 167,-0.3 0.979 87.0 86.3 -68.0 -58.6 46.5 25.8 184.3 272 16 B I T 3< S+ 0 0 75 -4,-2.2 167,-0.2 1,-0.3 3,-0.1 -0.225 100.7 24.4 -47.8 115.2 45.9 29.5 183.5 273 17 B G T 3 S+ 0 0 49 165,-2.2 -1,-0.3 1,-0.4 -2,-0.1 0.082 90.5 132.7 113.4 -22.8 44.0 29.4 180.2 274 18 B Q < - 0 0 57 -3,-3.7 164,-2.8 -4,-0.1 -1,-0.4 -0.287 39.9-157.3 -60.4 145.1 42.6 25.9 180.7 275 19 B K E -K 437 0E 132 162,-0.2 2,-0.3 -3,-0.1 162,-0.2 -0.951 11.9-172.3-129.3 148.4 38.9 25.6 180.0 276 20 B V E -K 436 0E 18 160,-1.9 160,-3.0 -2,-0.3 17,-0.1 -0.997 33.6-101.6-139.3 139.8 36.2 23.2 181.2 277 21 B K E -K 435 0E 114 -2,-0.3 158,-0.2 158,-0.2 157,-0.0 -0.327 48.7 -91.2 -62.8 138.1 32.6 22.8 180.0 278 22 B R - 0 0 70 156,-2.8 -1,-0.2 1,-0.2 12,-0.1 -0.310 42.3-134.8 -50.8 107.4 29.9 24.2 182.3 279 23 B P S S- 0 0 22 0, 0.0 -256,-0.5 0, 0.0 2,-0.3 0.703 71.8 -8.6 -39.7 -35.1 29.3 21.0 184.4 280 24 B K - 0 0 60 2,-0.2 4,-0.0 8,-0.2 -249,-0.0 -0.989 66.0-105.1-162.2 164.4 25.5 21.3 184.2 281 25 B S S S+ 0 0 105 -2,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.921 101.6 79.4 -61.1 -43.0 22.5 23.5 183.1 282 26 B G S S- 0 0 24 1,-0.1 -2,-0.2 -3,-0.1 3,-0.1 -0.416 103.2 -86.7 -66.7 140.2 21.9 24.3 186.8 283 27 B T - 0 0 43 1,-0.1 2,-1.0 -2,-0.1 -1,-0.1 0.085 46.6 -97.5 -45.0 157.0 24.2 26.9 188.2 284 28 B L + 0 0 31 -3,-0.1 2,-0.3 3,-0.0 5,-0.3 -0.698 60.9 146.2 -87.7 99.2 27.6 25.9 189.7 285 29 B S > - 0 0 8 -2,-1.0 3,-2.8 3,-0.2 -254,-0.1 -0.926 60.4 -30.0-128.6 153.6 27.4 25.6 193.5 286 30 B G G > S+ 0 0 42 -2,-0.3 3,-1.5 1,-0.3 5,-0.3 -0.005 134.4 3.4 39.5-132.6 29.2 23.2 195.8 287 31 B H G 3 S+ 0 0 60 1,-0.3 -1,-0.3 2,-0.1 -260,-0.1 0.596 132.4 61.0 -57.6 -10.1 30.0 19.9 194.1 288 32 B A G < S+ 0 0 4 -3,-2.8 -1,-0.3 3,-0.1 -2,-0.2 -0.066 92.8 79.7-108.3 32.1 28.6 21.2 190.9 289 33 B A S < S- 0 0 17 -3,-1.5 -4,-0.1 -5,-0.3 -2,-0.1 0.306 108.7 -30.7-106.7-125.8 31.0 24.1 190.6 290 34 B G S > S+ 0 0 0 1,-0.2 3,-1.9 96,-0.1 4,-0.4 0.225 89.0 122.1 -85.4 18.3 34.6 24.1 189.3 291 35 B E T >> + 0 0 58 -5,-0.3 3,-2.2 1,-0.3 4,-0.7 0.817 60.1 71.7 -46.9 -40.7 35.4 20.6 190.4 292 36 B P H >> S+ 0 0 24 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.826 87.4 65.3 -48.9 -33.1 36.3 19.5 186.9 293 37 B F H X> S+ 0 0 0 -3,-1.9 4,-1.5 1,-0.3 3,-1.1 0.830 89.9 65.4 -59.6 -31.5 39.5 21.6 187.2 294 38 B E H <> S+ 0 0 19 -3,-2.2 4,-2.5 -4,-0.4 -1,-0.3 0.852 95.2 58.1 -59.5 -32.9 40.7 19.2 189.9 295 39 B K H X S+ 0 0 39 -4,-2.5 3,-3.2 -5,-0.2 4,-2.2 -0.157 71.6 158.7-146.9 38.7 55.2 12.9 189.2 306 50 B S T 3< S+ 0 0 61 -4,-0.5 -3,-0.1 1,-0.3 -4,-0.1 0.706 73.5 49.7 -38.7 -35.5 53.7 9.6 188.0 307 51 B D T 34 S+ 0 0 133 1,-0.1 -1,-0.3 -3,-0.0 67,-0.1 0.663 118.6 38.7 -83.7 -14.7 55.3 7.6 190.9 308 52 B L T <4 S+ 0 0 22 -3,-3.2 66,-2.0 -7,-0.2 2,-0.4 0.761 91.7 97.5-102.8 -31.4 54.1 10.0 193.5 309 53 B T E < +L 373 0E 0 -4,-2.2 2,-0.3 -8,-0.3 64,-0.2 -0.483 45.0 158.0 -72.2 119.9 50.6 11.0 192.3 310 54 B F E -L 372 0E 38 62,-2.2 62,-4.2 -2,-0.4 2,-0.2 -0.991 40.5-129.8-141.6 145.4 47.6 9.1 193.8 311 55 B K E > -L 371 0E 24 -2,-0.3 4,-2.3 60,-0.2 5,-0.2 -0.625 41.6-113.1 -82.6 153.5 43.8 9.7 194.3 312 56 B Q H > S+ 0 0 2 58,-0.6 4,-1.5 57,-0.4 5,-0.1 0.928 118.4 40.6 -57.9 -45.7 43.1 8.9 197.9 313 57 B Y H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 48,-0.2 0.901 112.1 57.9 -68.2 -37.4 41.0 5.8 197.2 314 58 B E H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.857 104.3 52.1 -58.6 -37.8 43.6 4.9 194.5 315 59 B Y H X S+ 0 0 29 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.898 110.9 46.5 -68.2 -38.8 46.3 4.9 197.2 316 60 B L H X S+ 0 0 1 -4,-1.5 4,-2.1 2,-0.2 5,-0.3 0.838 109.9 54.6 -70.9 -33.1 44.3 2.6 199.4 317 61 B N H X S+ 0 0 10 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.925 110.9 44.5 -67.4 -42.4 43.5 0.3 196.5 318 62 B D H X S+ 0 0 71 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.814 110.9 56.5 -72.4 -26.3 47.2 -0.1 195.7 319 63 B L H >< S+ 0 0 14 -4,-1.6 3,-0.7 2,-0.2 -2,-0.2 0.986 112.7 36.9 -67.9 -58.2 48.0 -0.6 199.4 320 64 B F H >< S+ 0 0 2 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.857 111.6 64.9 -61.8 -34.2 45.7 -3.5 200.0 321 65 B M H 3< S+ 0 0 80 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.837 99.4 50.0 -57.9 -37.8 46.6 -4.8 196.5 322 66 B K T << S+ 0 0 160 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.1 0.065 105.0 62.4 -93.3 27.5 50.3 -5.4 197.3 323 67 B N X + 0 0 52 -3,-1.6 3,-0.9 1,-0.1 4,-0.5 -0.437 55.8 157.2-145.7 61.9 49.3 -7.3 200.4 324 68 B P T 3 S+ 0 0 110 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.689 73.7 56.4 -63.2 -20.9 47.4 -10.4 199.2 325 69 B A T 3 S+ 0 0 96 1,-0.1 -3,-0.0 -3,-0.1 -2,-0.0 0.744 90.7 79.0 -84.5 -21.8 48.1 -12.4 202.3 326 70 B I < + 0 0 45 -3,-0.9 5,-0.1 -6,-0.2 -1,-0.1 0.938 58.3 159.1 -50.2 -74.5 46.6 -9.8 204.7 327 71 B I + 0 0 116 -4,-0.5 4,-0.3 -7,-0.1 26,-0.1 0.718 35.8 63.5 49.5 136.2 42.8 -10.2 204.6 328 72 B G S > S- 0 0 15 25,-0.4 4,-2.2 24,-0.2 5,-0.2 0.356 82.5-106.1 94.4 132.6 40.5 -9.0 207.4 329 73 B H H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.917 116.6 55.8 -56.8 -45.4 40.0 -5.4 208.4 330 74 B E H > S+ 0 0 53 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.937 112.3 40.8 -52.7 -53.3 42.1 -5.8 211.6 331 75 B A H 4 S+ 0 0 33 -4,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.857 114.5 55.4 -64.4 -35.1 45.1 -7.0 209.8 332 76 B R H >< S+ 0 0 17 -4,-2.2 3,-1.0 1,-0.2 4,-0.3 0.809 98.7 58.0 -70.4 -32.5 44.6 -4.5 207.1 333 77 B Y H >< S+ 0 0 46 -4,-2.4 3,-1.7 1,-0.3 4,-0.3 0.867 97.5 64.4 -65.7 -32.7 44.6 -1.4 209.3 334 78 B K G >< S+ 0 0 153 -4,-1.1 3,-1.3 1,-0.3 -1,-0.3 0.758 85.7 74.2 -61.7 -21.9 48.0 -2.5 210.5 335 79 B L G < S+ 0 0 39 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.781 82.2 68.0 -62.2 -27.5 49.2 -1.8 206.9 336 80 B F G < S- 0 0 14 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.759 82.8-158.5 -64.3 -26.0 49.0 1.9 207.5 337 81 B N < + 0 0 152 -3,-1.3 -1,-0.1 -4,-0.3 -3,-0.1 0.654 67.8 70.0 54.5 19.0 51.9 1.7 210.0 338 82 B S > - 0 0 12 1,-0.1 4,-1.4 2,-0.0 3,-0.1 -0.851 66.9-151.2-164.7 124.6 50.7 5.1 211.5 339 83 B P H > S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.932 98.9 54.5 -64.8 -45.6 47.7 5.9 213.5 340 84 B T H > S+ 0 0 0 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.819 110.6 46.9 -60.0 -30.9 47.4 9.5 212.3 341 85 B L H >>S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.7 0.801 109.2 54.3 -80.2 -28.1 47.4 8.4 208.7 342 86 B L H X5S+ 0 0 50 -4,-1.4 4,-1.1 -3,-0.3 -2,-0.2 0.934 108.9 49.1 -68.5 -44.3 44.8 5.7 209.5 343 87 B F H <5S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.849 119.0 38.0 -62.8 -37.7 42.5 8.4 211.0 344 88 B L H <5S+ 0 0 4 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.774 131.2 20.1 -87.9 -28.3 42.9 10.7 208.0 345 89 B L H <5S+ 0 0 2 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.799 94.2 98.6-110.5 -39.1 42.9 8.3 205.0 346 90 B S << - 0 0 29 -4,-1.1 2,-0.1 -5,-0.7 3,-0.1 0.034 59.2-133.3 -54.6 158.6 41.4 4.9 205.9 347 91 B R - 0 0 34 1,-0.2 5,-0.1 2,-0.1 -1,-0.1 -0.400 42.3 -56.1-103.9-178.4 37.8 3.8 205.2 348 92 B G > - 0 0 45 -2,-0.1 4,-2.2 1,-0.1 -1,-0.2 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-99.0 72.3 49.6 -2.7 225.2 732 219 C F - 0 0 40 -2,-1.0 2,-0.5 -27,-0.7 -25,-0.1 -0.977 32.6-168.4-125.7 129.7 50.2 -2.0 228.8 733 220 C N + 0 0 149 -2,-0.4 2,-0.2 2,-0.0 -28,-0.0 -0.961 46.3 69.5-117.5 118.8 53.4 -1.1 230.5 734 221 C G S S- 0 0 36 -2,-0.5 -2,-0.1 4,-0.0 5,-0.0 -0.730 79.1 -70.6 152.4 159.0 53.5 -1.2 234.3 735 222 C T >> - 0 0 82 -2,-0.2 3,-1.5 1,-0.1 4,-1.0 -0.264 56.5 -99.2 -68.5 161.3 53.5 -3.3 237.5 736 223 C R H 3> S+ 0 0 44 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.661 119.9 73.7 -57.5 -12.2 50.2 -5.0 238.5 737 224 C E H 3> S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.886 93.4 48.2 -68.6 -42.0 49.9 -2.0 240.9 738 225 C E H <> S+ 0 0 96 -3,-1.5 4,-2.9 2,-0.2 5,-0.3 0.871 108.2 54.8 -67.7 -39.7 49.0 0.5 238.1 739 226 C W H X S+ 0 0 1 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.970 114.3 39.7 -57.4 -55.8 46.4 -1.7 236.5 740 227 C A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.922 116.7 50.3 -60.5 -48.2 44.5 -2.1 239.8 741 228 C K H X S+ 0 0 56 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.949 118.8 36.8 -56.3 -53.2 45.0 1.5 240.8 742 229 C S H X S+ 0 0 40 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.740 110.4 64.1 -73.1 -24.5 43.8 2.9 237.5 743 230 C Y H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.936 102.7 46.6 -65.0 -47.4 41.1 0.2 237.2 744 231 C L H X S+ 0 0 6 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.866 108.2 60.1 -62.2 -35.0 39.2 1.4 240.2 745 232 C K H X S+ 0 0 115 -4,-1.1 4,-2.2 -5,-0.2 5,-0.2 0.984 111.2 37.0 -53.6 -63.1 39.6 4.9 238.8 746 233 C H H X S+ 0 0 22 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.889 117.9 52.1 -58.2 -43.7 37.7 4.0 235.6 747 234 C F H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.960 112.6 42.9 -59.9 -54.8 35.2 1.7 237.4 748 235 C V H >X S+ 0 0 20 -4,-3.1 4,-2.1 1,-0.2 3,-0.6 0.986 113.2 51.6 -53.3 -65.7 34.2 4.2 240.1 749 236 C T H 3X S+ 0 0 49 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.800 112.7 47.3 -39.6 -42.0 33.9 7.1 237.6 750 237 C Q H 3X S+ 0 0 60 -4,-2.1 4,-3.5 -5,-0.2 5,-0.3 0.909 106.9 54.7 -69.8 -43.9 31.7 4.9 235.4 751 238 C A H X S+ 0 0 107 -4,-1.1 3,-1.4 -3,-0.3 4,-1.2 0.804 112.6 68.2 -75.2 -29.7 22.6 9.5 236.5 757 244 C S H 3X S+ 0 0 64 -4,-3.1 4,-0.5 1,-0.3 -2,-0.2 0.862 93.5 58.1 -56.1 -38.0 22.6 7.7 233.1 758 245 C M H 3X S+ 0 0 2 -4,-2.2 4,-2.4 -3,-0.2 5,-0.3 0.744 101.7 59.7 -64.7 -23.5 19.8 5.5 234.4 759 246 C I H <>>S+ 0 0 46 -3,-1.4 4,-2.9 -4,-0.3 5,-1.1 0.983 102.2 44.0 -70.5 -61.7 17.7 8.6 235.0 760 247 C D H <5S+ 0 0 76 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.536 125.1 39.2 -63.8 -5.5 17.4 10.2 231.6 761 248 C K H <5S+ 0 0 109 -4,-0.5 -1,-0.2 -3,-0.1 -2,-0.2 0.759 129.1 23.3-111.3 -42.3 16.7 6.8 230.2 762 249 C F H <5S+ 0 0 4 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.544 127.7 37.5-105.4 -9.5 14.5 5.1 232.8 763 250 C V T >X5S+ 0 0 10 -4,-2.9 3,-1.8 -5,-0.3 4,-0.9 0.839 114.5 38.2-104.3 -71.9 12.9 8.1 234.6 764 251 C K H >> S+ 0 0 5 2,-0.1 3,-2.2 1,-0.1 -1,-0.2 0.869 87.5 64.1 -88.0 -44.3 -3.7 -22.2 228.6 775 5 D K G > S+ 0 0 43 -3,-0.4 3,-1.6 1,-0.3 4,-0.4 0.855 94.7 60.4 -49.5 -44.1 -5.5 -21.8 232.0 776 6 D P G 3 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.417 117.2 32.3 -69.2 5.7 -8.6 -23.7 230.7 777 7 D I G <> S+ 0 0 41 -3,-2.2 4,-2.0 2,-0.0 -2,-0.2 -0.011 84.2 111.6-148.6 30.5 -6.5 -26.8 230.1 778 8 D Y H <> S+ 0 0 65 -3,-1.6 4,-2.4 2,-0.2 5,-0.2 0.920 75.7 53.3 -74.2 -46.7 -3.8 -26.4 232.8 779 9 D Q H > S+ 0 0 70 -4,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.756 113.5 48.3 -60.5 -23.6 -4.9 -29.5 234.9 780 10 D D H > S+ 0 0 100 2,-0.2 4,-1.6 3,-0.1 -2,-0.2 0.951 112.7 42.1 -80.8 -57.0 -4.6 -31.5 231.7 781 11 D I H X S+ 0 0 11 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.794 112.7 57.2 -62.0 -30.0 -1.2 -30.3 230.4 782 12 D N H X S+ 0 0 37 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.949 103.1 51.3 -66.8 -49.7 0.2 -30.6 233.9 783 13 D S H < S+ 0 0 88 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.899 109.4 53.4 -53.0 -43.7 -0.7 -34.2 234.4 784 14 D I H < S+ 0 0 52 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.965 108.4 47.0 -55.3 -60.3 1.0 -35.0 231.1 785 15 D L H >< S+ 0 0 8 -4,-1.9 3,-0.9 2,-0.1 167,-0.4 0.891 91.6 92.9 -50.9 -51.5 4.4 -33.3 231.9 786 16 D I T 3< S+ 0 0 66 -4,-2.2 167,-0.2 1,-0.2 3,-0.1 -0.083 90.2 22.4 -48.1 143.5 4.7 -35.0 235.4 787 17 D G T 3 S+ 0 0 61 165,-1.9 2,-0.6 1,-0.2 -1,-0.2 0.755 91.8 133.4 69.3 24.4 6.7 -38.2 235.4 788 18 D Q < - 0 0 45 -3,-0.9 164,-1.6 164,-0.3 -1,-0.2 -0.929 35.0-169.3-114.4 116.9 8.5 -37.3 232.2 789 19 D K - 0 0 43 -2,-0.6 162,-0.2 162,-0.2 163,-0.1 -0.072 4.3-175.9 -84.6-169.8 12.2 -37.8 231.9 790 20 D V - 0 0 37 161,-0.0 -1,-0.1 -2,-0.0 159,-0.1 -0.018 38.0 -86.9-148.6-100.8 14.5 -36.5 229.1 791 21 D K - 0 0 112 157,-0.1 158,-0.2 159,-0.1 3,-0.1 -0.228 35.8-124.7 166.8 93.5 18.2 -37.1 228.7 792 22 D R - 0 0 62 156,-2.2 3,-0.1 1,-0.1 11,-0.1 -0.101 45.0 -85.8 -48.7 145.2 20.8 -34.8 230.3 793 23 D P > - 0 0 45 0, 0.0 3,-0.6 0, 0.0 2,-0.3 -0.312 48.2-108.9 -58.6 131.7 23.3 -33.2 227.9 794 24 D K T 3 S- 0 0 85 1,-0.2 3,-0.1 -3,-0.1 -257,-0.1 -0.459 91.4 -11.6 -66.2 124.9 26.3 -35.5 227.2 795 25 D S T 3 S+ 0 0 113 -2,-0.3 -1,-0.2 1,-0.1 2,-0.2 0.961 112.8 99.4 46.8 73.6 29.4 -34.2 228.9 796 26 D G S < S- 0 0 21 -3,-0.6 -1,-0.1 -244,-0.0 -251,-0.0 -0.770 71.5-107.0 177.4 135.9 28.2 -30.7 229.8 797 27 D T - 0 0 38 -2,-0.2 -249,-0.1 1,-0.1 5,-0.0 0.077 17.5-142.4 -58.5 178.3 26.8 -28.8 232.8 798 28 D L + 0 0 29 -6,-0.1 2,-1.3 3,-0.0 -1,-0.1 0.434 63.2 115.4-122.6 -8.8 23.1 -27.9 233.0 799 29 D S S S+ 0 0 26 3,-0.1 2,-0.4 4,-0.1 -2,-0.1 -0.495 78.8 1.9 -69.1 93.7 23.5 -24.5 234.6 800 30 D G S > S- 0 0 31 -2,-1.3 3,-2.1 1,-0.1 4,-0.4 -0.988 123.7 -4.1 139.9-146.0 22.1 -22.2 232.0 801 31 D H T 3 S+ 0 0 80 -2,-0.4 4,-0.2 1,-0.3 -261,-0.1 0.757 127.1 59.2 -60.1 -25.7 20.5 -22.3 228.5 802 32 D A T 3 S+ 0 0 24 1,-0.1 -1,-0.3 2,-0.1 -3,-0.1 0.363 85.9 88.7 -85.6 4.9 21.1 -26.1 228.5 803 33 D A S < S- 0 0 16 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.997 107.7 -4.3 -65.4 -77.9 18.9 -26.4 231.6 804 34 D G S > S+ 0 0 8 -4,-0.4 4,-1.3 96,-0.2 -1,-0.2 -0.224 89.1 118.5-116.9 45.7 15.4 -26.8 230.4 805 35 D E H > S+ 0 0 23 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.922 79.6 51.2 -72.8 -44.1 15.5 -26.4 226.6 806 36 D P H > S+ 0 0 31 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.875 109.0 51.1 -59.8 -38.5 14.2 -30.0 226.0 807 37 D F H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.886 100.5 63.4 -65.6 -39.5 11.3 -29.4 228.3 808 38 D E H X S+ 0 0 22 -4,-1.3 4,-0.8 1,-0.3 -1,-0.2 0.907 106.3 44.8 -50.6 -45.2 10.4 -26.2 226.4 809 39 D K H X S+ 0 0 69 -4,-1.4 4,-3.4 1,-0.2 -1,-0.3 0.802 107.1 59.6 -70.3 -30.1 9.8 -28.3 223.3 810 40 D L H X S+ 0 0 37 -4,-1.2 4,-1.5 1,-0.2 5,-0.2 0.868 104.0 50.0 -66.3 -36.3 7.8 -30.8 225.4 811 41 D V H X S+ 0 0 2 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.762 114.1 46.9 -71.9 -24.4 5.4 -28.1 226.4 812 42 D Y H X S+ 0 0 51 -4,-0.8 4,-1.4 -5,-0.3 5,-0.3 0.912 103.7 61.9 -79.9 -48.4 5.2 -27.3 222.7 813 43 D K H >X S+ 0 0 93 -4,-3.4 4,-2.1 1,-0.2 3,-0.6 0.907 113.3 33.3 -42.3 -61.3 4.7 -30.9 221.6 814 44 D F H 3X S+ 0 0 41 -4,-1.5 4,-0.9 1,-0.2 5,-0.3 0.801 114.3 57.5 -72.2 -29.8 1.5 -31.4 223.5 815 45 D L H 3< S+ 0 0 4 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.658 113.9 43.5 -73.0 -12.3 0.2 -27.9 223.0 816 46 D K H << S+ 0 0 35 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.796 107.7 55.8 -96.3 -38.8 0.6 -28.7 219.3 817 47 D E H < S+ 0 0 123 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.627 126.0 23.0 -69.2 -13.8 -0.9 -32.2 219.4 818 48 D N S < S+ 0 0 111 -4,-0.9 2,-2.2 1,-0.2 3,-0.2 0.629 127.7 35.1-113.3 -86.4 -4.0 -30.5 221.0 819 49 D L S >> S+ 0 0 45 -5,-0.3 4,-0.5 1,-0.2 3,-0.5 -0.501 74.5 156.8 -75.2 79.7 -4.5 -26.8 220.3 820 50 D S G >4 + 0 0 54 -2,-2.2 2,-2.9 1,-0.2 3,-1.7 0.995 62.5 49.0 -69.6 -68.9 -3.1 -27.0 216.8 821 51 D D G 34 S+ 0 0 167 1,-0.3 -1,-0.2 -3,-0.2 3,-0.1 -0.101 119.9 41.9 -68.9 45.0 -4.5 -24.0 214.9 822 52 D L G <4 S+ 0 0 26 -2,-2.9 66,-1.3 -3,-0.5 2,-0.4 0.356 97.9 78.8-163.1 -12.2 -3.5 -21.7 217.8 823 53 D T E << +A 887 0K 6 -3,-1.7 2,-0.3 -4,-0.5 -1,-0.3 -0.909 47.2 119.7-118.6 138.6 -0.1 -22.8 219.0 824 54 D F E -A 886 0K 27 62,-1.6 62,-2.9 -2,-0.4 2,-0.1 -0.956 55.6 -80.3-178.6 165.6 3.4 -22.1 217.6 825 55 D K > - 0 0 7 -2,-0.3 4,-1.9 60,-0.2 60,-0.2 -0.336 45.0-107.6 -77.0 161.0 6.8 -20.5 218.3 826 56 D Q H > S+ 0 0 4 58,-0.4 4,-1.7 1,-0.2 3,-0.2 0.914 120.2 43.7 -56.3 -48.6 7.4 -16.8 218.0 827 57 D Y H > S+ 0 0 66 1,-0.2 4,-2.9 2,-0.2 48,-0.2 0.923 109.8 59.2 -63.8 -39.4 9.5 -16.9 214.8 828 58 D E H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.870 105.3 49.5 -54.8 -39.0 7.0 -19.4 213.4 829 59 D Y H X S+ 0 0 21 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.869 109.2 50.3 -69.7 -38.5 4.3 -16.7 213.9 830 60 D L H X S+ 0 0 1 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.915 110.8 51.2 -65.3 -41.7 6.4 -14.0 212.2 831 61 D N H X S+ 0 0 12 -4,-2.9 4,-2.6 2,-0.2 3,-0.3 0.961 113.6 41.9 -60.0 -53.8 6.9 -16.4 209.3 832 62 D D H X S+ 0 0 60 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.932 110.4 58.8 -58.7 -47.1 3.2 -17.2 208.8 833 63 D L H < S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.839 113.0 37.9 -51.9 -39.3 2.2 -13.6 209.3 834 64 D F H >< S+ 0 0 4 -4,-1.7 3,-1.9 -3,-0.3 6,-0.3 0.887 112.8 54.6 -82.3 -40.0 4.4 -12.5 206.4 835 65 D M H 3< S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.782 101.3 62.7 -61.2 -27.7 3.6 -15.5 204.1 836 66 D K T 3< S+ 0 0 132 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.677 111.3 38.3 -70.5 -17.1 -0.0 -14.6 204.7 837 67 D N X + 0 0 53 -3,-1.9 3,-1.9 -5,-0.2 -1,-0.3 -0.441 65.9 157.0-133.8 60.8 0.8 -11.3 202.9 838 68 D P T 3 + 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.847 68.5 70.2 -53.3 -39.2 3.2 -12.1 200.0 839 69 D A T 3 S+ 0 0 101 -3,-0.1 2,-0.5 -4,-0.1 -4,-0.1 0.464 88.7 78.0 -61.4 -1.3 2.2 -8.9 198.2 840 70 D I < + 0 0 36 -3,-1.9 2,-0.3 -6,-0.3 -3,-0.1 -0.946 54.0 165.8-121.4 124.3 4.0 -6.8 200.8 841 71 D I + 0 0 118 -2,-0.5 4,-0.3 29,-0.0 26,-0.1 -0.873 36.0 62.3-127.5 159.9 7.8 -6.3 200.9 842 72 D G S > S- 0 0 15 25,-0.4 4,-1.7 -2,-0.3 5,-0.2 0.092 80.0 -99.8 100.0 144.9 10.0 -3.8 202.8 843 73 D H H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.951 117.4 52.6 -65.0 -48.8 10.3 -3.4 206.6 844 74 D E H > S+ 0 0 82 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.905 113.7 42.4 -53.2 -49.1 8.0 -0.4 207.0 845 75 D A H 4 S+ 0 0 45 -4,-0.3 3,-0.2 1,-0.2 -1,-0.2 0.852 113.5 52.2 -68.6 -36.1 5.1 -2.1 205.1 846 76 D R H >< S+ 0 0 17 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.803 100.6 62.7 -70.9 -29.3 5.5 -5.4 206.8 847 77 D Y H >< S+ 0 0 40 -4,-2.2 3,-2.3 1,-0.3 -1,-0.2 0.865 92.9 62.9 -64.5 -33.9 5.5 -3.8 210.2 848 78 D K T 3< S+ 0 0 161 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.619 83.1 77.9 -67.5 -9.2 1.9 -2.6 209.6 849 79 D L T < S+ 0 0 30 -3,-1.4 2,-1.0 -4,-0.2 -1,-0.3 0.694 81.0 76.2 -71.1 -15.4 1.0 -6.3 209.4 850 80 D F S < S- 0 0 16 -3,-2.3 2,-1.9 -4,-0.2 6,-0.1 -0.848 76.1-162.1 -93.3 99.3 1.2 -6.0 213.2 851 81 D N S S+ 0 0 154 -2,-1.0 -3,-0.1 1,-0.1 -1,-0.1 -0.236 72.7 67.1 -79.9 50.9 -2.0 -4.2 213.8 852 82 D S > - 0 0 2 -2,-1.9 4,-2.2 1,-0.0 3,-0.5 -0.598 67.2-154.5-171.3 101.5 -0.7 -3.1 217.2 853 83 D P H > S+ 0 0 74 0, 0.0 4,-1.2 0, 0.0 72,-0.1 0.738 104.8 49.8 -52.2 -20.5 2.2 -0.7 217.7 854 84 D T H > S+ 0 0 0 2,-0.2 4,-1.6 70,-0.1 5,-0.1 0.848 107.0 50.0 -87.6 -38.5 2.7 -2.6 221.0 855 85 D L H > S+ 0 0 6 -3,-0.5 4,-2.0 2,-0.2 5,-0.4 0.771 108.1 56.8 -70.1 -24.4 2.6 -6.1 219.6 856 86 D L H X S+ 0 0 49 -4,-2.2 4,-3.2 2,-0.2 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