==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/CELL CYCLE 12-JUL-11 3ZTX . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 12-A; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR N.KWIATKOWSKI,F.VILLA,A.MUSACCHIO,N.GRAY . 626 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 33 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 5 3 3 0 2 2 2 2 0 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 1 2 3 1 1 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 . 2 0 2 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 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 87 A K 0 0 76 0, 0.0 2,-0.2 0, 0.0 619,-0.1 0.000 360.0 360.0 360.0 -21.0 11.6 25.6 3.1 2 88 A F - 0 0 16 617,-0.4 73,-0.3 71,-0.2 2,-0.3 -0.550 360.0-179.4 -82.4 151.8 12.4 22.1 1.7 3 89 A T > - 0 0 74 -2,-0.2 3,-2.3 71,-0.1 4,-0.1 -0.906 44.8 -97.1-140.3 171.3 11.6 21.0 -1.9 4 90 A I G > S+ 0 0 58 1,-0.3 3,-1.4 -2,-0.3 -2,-0.0 0.772 119.5 64.5 -61.7 -25.5 12.0 17.8 -3.9 5 91 A D G 3 S+ 0 0 118 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.530 84.6 74.3 -79.8 -1.7 15.2 19.2 -5.5 6 92 A D G < S+ 0 0 49 -3,-2.3 21,-3.0 21,-0.1 2,-0.4 0.450 97.0 63.1 -78.7 -0.1 16.8 19.2 -2.0 7 93 A F E < S-A 26 0A 9 -3,-1.4 2,-0.5 19,-0.3 19,-0.2 -0.964 71.2-139.5-133.3 140.4 17.1 15.4 -2.4 8 94 A D E -A 25 0A 44 17,-2.5 17,-2.3 -2,-0.4 2,-0.5 -0.870 30.7-136.7 -87.8 128.4 18.8 12.8 -4.5 9 95 A I E +A 24 0A 74 -2,-0.5 15,-0.2 15,-0.2 583,-0.1 -0.771 24.8 179.3 -92.9 129.2 16.3 10.0 -5.1 10 96 A G E - 0 0 6 13,-3.4 -1,-0.2 -2,-0.5 14,-0.2 0.936 49.7 -44.2 -95.5 -58.9 17.9 6.6 -4.8 11 97 A R E -A 23 0A 83 12,-0.8 12,-2.8 577,-0.1 -1,-0.3 -0.954 62.0 -80.7-171.5 155.9 15.4 3.8 -5.3 12 98 A P E -A 22 0A 61 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.425 33.2-177.4 -65.8 144.1 11.8 2.7 -4.4 13 99 A L E - 0 0 68 8,-3.4 2,-0.3 1,-0.4 9,-0.2 0.589 66.6 -8.7-111.8 -22.6 11.5 1.2 -0.9 14 100 A G E -A 21 0A 23 7,-1.3 7,-2.8 2,-0.0 -1,-0.4 -0.856 55.8-145.0-176.1 134.4 7.8 0.3 -0.9 15 101 A K E +A 20 0A 143 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.491 31.1 157.0 -94.5 175.3 4.7 0.9 -3.0 16 102 A G - 0 0 43 3,-1.0 -2,-0.0 -2,-0.2 3,-0.0 -0.972 53.0 -66.8 174.5 175.7 1.2 1.4 -1.4 17 103 A K S S+ 0 0 175 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.817 123.8 1.0 -52.9 -38.9 -2.3 2.8 -1.8 18 104 A F S S+ 0 0 55 -3,-0.0 21,-1.8 20,-0.0 -1,-0.2 0.678 125.7 97.6-117.3 -26.7 -1.4 6.5 -1.8 19 105 A G E + B 0 38A 9 19,-0.3 -3,-1.0 -5,-0.0 2,-0.3 -0.559 44.1 162.7 148.4 74.4 1.5 6.0 -1.5 20 106 A N E -AB 15 37A 42 17,-1.1 17,-3.4 -5,-0.2 2,-0.4 -0.943 19.7-158.1-144.8 133.9 5.2 5.5 -2.5 21 107 A V E -AB 14 36A 34 -7,-2.8 -8,-3.4 -2,-0.3 -7,-1.3 -0.921 14.0-169.9-106.7 134.5 8.3 5.5 -0.2 22 108 A Y E -AB 12 35A 69 13,-2.5 13,-2.3 -2,-0.4 2,-0.4 -0.942 29.1-116.4-121.3 142.9 11.8 6.2 -1.7 23 109 A L E +AB 11 34A 0 -12,-2.8 -13,-3.4 -2,-0.4 -12,-0.8 -0.650 49.4 179.4 -64.7 129.3 15.3 6.0 -0.4 24 110 A A E -AB 9 33A 0 9,-2.6 9,-3.3 -2,-0.4 2,-0.5 -0.973 28.4-147.6-141.8 149.8 16.5 9.5 -0.5 25 111 A R E -AB 8 32A 48 -17,-2.3 -17,-2.5 -2,-0.3 2,-0.4 -0.971 20.9-133.7-120.8 117.7 19.6 11.6 0.4 26 112 A E E >>> -AB 7 31A 1 5,-2.7 5,-1.2 -2,-0.5 4,-0.9 -0.583 24.2-139.6 -71.0 120.6 19.3 15.2 1.5 27 113 A K G >45S+ 0 0 83 -21,-3.0 3,-0.6 -2,-0.4 -1,-0.1 0.861 88.8 46.8 -55.4 -52.2 21.9 17.0 -0.6 28 114 A Q G 345S+ 0 0 148 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.750 126.8 28.3 -73.5 -21.2 23.6 19.6 1.7 29 115 A N G <45S- 0 0 62 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.371 96.5-132.3-110.3 -0.1 24.1 17.1 4.6 30 116 A K T <<5 + 0 0 144 -4,-0.9 2,-0.5 -3,-0.6 -3,-0.2 0.827 49.8 164.3 40.9 41.1 24.4 14.0 2.5 31 117 A F E < -B 26 0A 15 -5,-1.2 -5,-2.7 1,-0.0 2,-0.4 -0.726 33.8-137.1 -94.5 124.4 21.9 12.5 5.0 32 118 A I E +B 25 0A 2 -2,-0.5 54,-0.4 -7,-0.2 -7,-0.2 -0.671 42.3 137.5 -84.8 125.5 20.1 9.3 4.0 33 119 A M E -B 24 0A 0 -9,-3.3 -9,-2.6 -2,-0.4 2,-0.4 -0.717 48.6-100.0-142.9-167.6 16.4 9.2 4.9 34 120 A A E -BC 23 84A 5 50,-3.1 50,-2.8 -11,-0.2 2,-0.5 -0.947 22.0-150.4-123.9 148.1 13.2 8.0 3.2 35 121 A L E -BC 22 83A 0 -13,-2.3 -13,-2.5 -2,-0.4 2,-0.6 -0.987 4.0-155.2-119.2 120.7 10.6 10.2 1.5 36 122 A K E -BC 21 82A 69 46,-2.2 46,-2.7 -2,-0.5 2,-0.5 -0.864 15.6-155.9 -89.2 124.2 7.0 9.1 1.5 37 123 A V E -BC 20 81A 13 -17,-3.4 -17,-1.1 -2,-0.6 2,-0.4 -0.878 11.9-175.7-110.5 121.1 5.3 10.7 -1.5 38 124 A L E -BC 19 80A 10 42,-3.4 42,-2.9 -2,-0.5 2,-0.6 -0.931 23.3-129.0-118.0 145.5 1.5 11.3 -1.4 39 125 A F E > - C 0 79A 72 -21,-1.8 4,-2.2 -2,-0.4 40,-0.3 -0.817 10.7-150.5 -95.0 118.0 -0.7 12.6 -4.3 40 126 A K H > S+ 0 0 16 38,-2.4 4,-2.1 -2,-0.6 5,-0.2 0.878 94.3 50.7 -52.9 -44.4 -2.9 15.5 -3.1 41 127 A S H > S+ 0 0 78 37,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.908 110.2 48.3 -63.6 -45.0 -5.7 14.7 -5.7 42 128 A Q H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 110.9 51.4 -62.6 -42.2 -5.9 11.1 -4.8 43 129 A L H <>S+ 0 0 5 -4,-2.2 5,-2.4 1,-0.2 6,-0.4 0.920 113.7 44.3 -59.1 -45.5 -6.1 11.8 -1.0 44 130 A E H ><5S+ 0 0 110 -4,-2.1 3,-0.8 2,-0.2 -2,-0.2 0.885 110.8 52.1 -71.2 -40.4 -8.9 14.3 -1.5 45 131 A K H 3<5S+ 0 0 171 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.864 113.3 46.8 -58.2 -38.6 -10.9 12.1 -3.9 46 132 A E T 3<5S- 0 0 121 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.500 110.6-128.8 -80.9 -8.8 -10.6 9.4 -1.2 47 133 A G T < 5 + 0 0 51 -3,-0.8 3,-0.2 -4,-0.3 -3,-0.2 0.785 69.5 127.6 61.5 33.0 -11.6 11.9 1.5 48 134 A V >< + 0 0 31 -5,-2.4 4,-2.7 -6,-0.2 5,-0.2 0.206 28.4 111.5-100.2 15.8 -8.6 11.1 3.7 49 135 A E H > S+ 0 0 53 -6,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.902 82.1 42.1 -56.7 -48.2 -7.2 14.6 4.2 50 136 A H H > S+ 0 0 138 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 112.9 55.9 -68.4 -37.2 -8.1 14.9 7.9 51 137 A Q H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.945 110.7 43.1 -53.1 -55.0 -6.8 11.3 8.5 52 138 A L H X S+ 0 0 15 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.897 111.0 55.2 -66.3 -40.1 -3.5 12.2 7.0 53 139 A R H X S+ 0 0 85 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.901 109.4 47.8 -57.1 -40.7 -3.3 15.5 8.9 54 140 A R H X S+ 0 0 104 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.899 110.7 50.3 -72.5 -39.1 -3.8 13.7 12.2 55 141 A E H X S+ 0 0 43 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.885 113.8 46.7 -62.2 -37.3 -1.2 11.0 11.4 56 142 A I H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.962 109.9 52.2 -71.0 -49.8 1.3 13.7 10.5 57 143 A E H < S+ 0 0 80 -4,-3.0 4,-0.5 -5,-0.2 -2,-0.2 0.935 116.3 40.7 -52.3 -48.7 0.5 15.8 13.6 58 144 A I H >< S+ 0 0 12 -4,-2.4 3,-1.8 1,-0.2 4,-0.2 0.992 118.1 42.4 -62.1 -60.7 1.0 12.7 15.9 59 145 A Q H >< S+ 0 0 13 -4,-2.4 3,-1.3 1,-0.3 11,-0.5 0.836 108.7 59.2 -66.4 -27.4 4.1 11.2 14.4 60 146 A S T 3< S+ 0 0 25 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.591 105.6 50.2 -76.8 -9.4 5.9 14.5 13.8 61 147 A H T < S+ 0 0 115 -3,-1.8 2,-0.5 -4,-0.5 -1,-0.3 0.254 91.0 94.0-106.9 8.5 5.9 15.3 17.5 62 148 A L < - 0 0 6 -3,-1.3 2,-0.4 -4,-0.2 8,-0.4 -0.907 47.0-178.8-105.5 131.4 7.2 11.9 18.7 63 149 A R + 0 0 123 -2,-0.5 5,-0.1 6,-0.1 -3,-0.0 -0.881 27.2 127.1-132.6 103.3 11.0 11.5 19.3 64 150 A H > - 0 0 24 3,-0.5 3,-1.7 -2,-0.4 -2,-0.0 -0.994 62.8-120.1-157.1 144.1 12.1 8.1 20.5 65 151 A P T 3 S+ 0 0 44 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.686 114.6 46.1 -64.5 -15.7 14.7 5.5 19.3 66 152 A N T 3 S+ 0 0 0 47,-0.1 80,-2.9 79,-0.1 2,-0.4 0.113 99.3 77.4-114.9 20.0 11.9 2.9 18.7 67 153 A I B < S-e 146 0B 1 -3,-1.7 -3,-0.5 78,-0.3 2,-0.2 -0.999 92.2-111.0-123.7 129.7 9.5 5.2 16.9 68 154 A L - 0 0 8 78,-2.4 2,-0.2 -2,-0.4 -6,-0.1 -0.387 40.6-124.5 -61.1 123.0 10.2 6.0 13.2 69 155 A R - 0 0 33 -2,-0.2 16,-2.9 -4,-0.1 2,-0.6 -0.464 15.4-155.7 -79.2 138.3 11.2 9.6 13.1 70 156 A M E -D 84 0A 5 -11,-0.5 14,-0.2 -8,-0.4 3,-0.1 -0.951 13.2-177.5-106.5 103.4 9.4 12.2 10.9 71 157 A Y E - 0 0 22 12,-1.7 2,-0.3 -2,-0.6 13,-0.1 0.878 58.6 -44.4 -67.9 -42.3 12.1 14.9 10.5 72 158 A N E -D 83 0A 10 11,-1.1 11,-2.7 2,-0.0 2,-0.3 -0.940 51.4-138.9-172.1-178.1 9.9 17.3 8.5 73 159 A Y E +D 82 0A 25 -2,-0.3 2,-0.3 9,-0.2 -71,-0.2 -0.977 15.1 176.1-156.7 163.3 7.5 17.5 5.5 74 160 A F E -D 81 0A 5 7,-2.1 7,-3.2 -2,-0.3 2,-0.3 -0.936 12.5-146.1-161.4 172.1 6.8 19.7 2.5 75 161 A H E -D 80 0A 29 -2,-0.3 5,-0.2 -73,-0.3 2,-0.2 -0.977 7.2-170.4-148.7 157.6 4.5 19.9 -0.5 76 162 A D - 0 0 47 3,-2.2 -73,-0.0 -2,-0.3 5,-0.0 -0.486 57.1 -60.3-129.3-157.3 4.5 21.1 -4.1 77 163 A R S S+ 0 0 186 1,-0.2 3,-0.1 -2,-0.2 553,-0.0 0.838 129.6 9.3 -60.3 -38.3 1.7 21.5 -6.7 78 164 A K S S+ 0 0 114 1,-0.1 -38,-2.4 -38,-0.1 -37,-0.5 0.527 119.3 56.5-118.7 -16.0 0.6 17.8 -6.8 79 165 A R E -C 39 0A 92 -40,-0.3 -3,-2.2 -39,-0.1 2,-0.4 -0.914 54.1-146.8-132.3 150.9 2.4 15.9 -4.0 80 166 A I E -CD 38 75A 0 -42,-2.9 -42,-3.4 -2,-0.3 2,-0.5 -0.947 23.7-156.9-110.3 136.1 2.9 15.9 -0.2 81 167 A Y E -CD 37 74A 9 -7,-3.2 -7,-2.1 -2,-0.4 2,-0.5 -0.965 4.8-161.0-119.6 126.3 6.4 14.7 0.9 82 168 A L E -CD 36 73A 10 -46,-2.7 -46,-2.2 -2,-0.5 2,-0.8 -0.938 11.8-145.9-107.8 127.6 7.1 13.2 4.3 83 169 A M E +CD 35 72A 0 -11,-2.7 -12,-1.7 -2,-0.5 -11,-1.1 -0.810 32.9 173.6 -98.6 107.3 10.7 13.1 5.4 84 170 A L E -CD 34 70A 12 -50,-2.8 -50,-3.1 -2,-0.8 -14,-0.2 -0.846 37.6 -91.8-116.8 153.0 11.1 10.0 7.5 85 171 A E - 0 0 33 -16,-2.9 2,-0.5 -2,-0.3 -52,-0.2 -0.302 42.1-123.7 -54.7 133.7 13.8 8.0 9.2 86 172 A F - 0 0 29 -54,-0.4 -1,-0.1 -62,-0.1 -17,-0.1 -0.775 16.4-154.0 -81.9 127.6 15.2 5.2 6.9 87 173 A A > - 0 0 7 -2,-0.5 3,-1.8 1,-0.1 51,-0.2 -0.881 8.8-163.1-103.6 100.8 14.9 1.8 8.6 88 174 A P T 3 S+ 0 0 44 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.763 82.4 51.7 -69.3 -21.3 17.8 -0.1 7.0 89 175 A R T 3 S- 0 0 129 49,-1.9 50,-0.2 1,-0.2 51,-0.1 0.447 98.9-153.5 -94.4 5.2 16.7 -3.6 7.8 90 176 A G E < +F 138 0B 26 -3,-1.8 48,-1.7 48,-0.6 2,-0.3 -0.226 44.1 14.1 79.1-152.8 13.2 -3.1 6.5 91 177 A E E > -F 137 0B 63 46,-0.2 4,-1.3 1,-0.1 46,-0.2 -0.486 48.4-155.1 -77.9 125.8 9.8 -4.6 7.3 92 178 A L H > S+ 0 0 0 44,-2.2 4,-2.3 41,-0.4 42,-0.2 0.883 95.7 58.9 -66.1 -37.4 9.5 -6.7 10.5 93 179 A Y H > S+ 0 0 71 40,-0.7 4,-2.6 43,-0.5 -1,-0.2 0.869 103.2 53.7 -59.1 -38.1 6.6 -8.7 9.1 94 180 A K H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 109.6 47.7 -61.2 -41.3 8.9 -9.8 6.2 95 181 A E H X S+ 0 0 34 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.863 111.3 50.5 -67.4 -36.8 11.5 -11.1 8.6 96 182 A L H X S+ 0 0 8 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.926 111.5 47.6 -69.1 -44.0 8.9 -12.9 10.7 97 183 A Q H < S+ 0 0 153 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.890 111.0 52.3 -58.6 -43.1 7.5 -14.6 7.5 98 184 A K H < S+ 0 0 153 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.890 119.9 33.4 -61.2 -41.7 11.0 -15.6 6.4 99 185 A H H < S- 0 0 90 -4,-2.1 2,-1.3 1,-0.1 -1,-0.2 0.657 94.5-139.9 -89.4 -19.5 11.8 -17.2 9.8 100 186 A G S < S+ 0 0 39 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.1 -0.377 79.3 4.6 86.1 -57.6 8.3 -18.5 10.6 101 187 A R S S- 0 0 132 -2,-1.3 2,-0.3 -6,-0.1 96,-0.2 -0.969 78.0-116.2-153.0 162.5 8.8 -17.5 14.3 102 188 A F - 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0 0 99 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.1 -0.546 60.6 -86.4 -94.4 159.4 12.5 71.0 51.6 455 265 B T - 0 0 68 -2,-0.2 2,-0.3 -20,-0.1 -18,-0.2 -0.440 54.6-158.8 -60.8 136.1 11.4 68.8 54.5 456 266 B H B -R 436 0H 5 -20,-3.0 -20,-2.5 -2,-0.1 2,-0.2 -0.755 14.5-168.0-120.6 165.1 12.7 65.3 53.9 457 267 B D > - 0 0 35 -2,-0.3 3,-1.9 -22,-0.2 4,-0.2 -0.622 53.3 -64.3-133.4-167.1 12.0 61.8 55.1 458 268 B E T > S+ 0 0 32 -24,-0.3 3,-1.6 1,-0.3 4,-0.4 0.655 116.1 80.2 -61.1 -17.5 13.6 58.4 55.1 459 269 B K T 3> S+ 0 0 46 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.629 70.1 80.9 -70.5 -11.7 13.3 58.3 51.2 460 270 B V H <> S+ 0 0 1 -3,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.852 90.7 54.9 -53.5 -34.7 16.4 60.5 51.0 461 271 B D H <> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.2 -1,-0.2 0.780 101.7 55.1 -72.4 -29.3 18.3 57.1 51.6 462 272 B L H > S+ 0 0 11 -4,-0.4 4,-1.9 -3,-0.4 -1,-0.2 0.912 109.2 48.3 -67.6 -43.1 16.5 55.5 48.6 463 273 B W H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.953 111.5 48.9 -61.2 -47.7 17.8 58.3 46.3 464 274 B C H X S+ 0 0 4 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.858 107.1 56.9 -63.6 -34.0 21.3 58.0 47.7 465 275 B A H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.921 106.7 49.7 -60.2 -41.3 21.2 54.2 47.1 466 276 B G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.922 111.1 47.5 -61.2 -43.5 20.4 54.9 43.5 467 277 B V H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.926 112.3 51.7 -63.4 -44.2 23.3 57.4 43.2 468 278 B L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.916 107.9 50.8 -56.5 -46.0 25.6 54.8 44.9 469 279 B C H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.914 111.2 48.4 -62.2 -42.2 24.5 52.0 42.5 470 280 B Y H X S+ 0 0 13 -4,-2.2 4,-2.8 1,-0.2 5,-0.4 0.947 112.2 48.7 -62.2 -46.3 25.3 54.3 39.5 471 281 B E H X S+ 0 0 31 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 108.2 54.2 -65.6 -39.6 28.7 55.2 40.9 472 282 B F H < S+ 0 0 0 -4,-2.8 -94,-3.1 1,-0.2 -1,-0.2 0.937 119.5 33.3 -54.0 -49.3 29.6 51.6 41.6 473 283 B L H < S+ 0 0 5 -4,-1.9 -2,-0.2 -96,-0.2 -1,-0.2 0.745 128.0 36.7 -84.0 -25.4 28.9 50.6 38.0 474 284 B V H < S- 0 0 24 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.792 93.1-130.2 -99.8 -37.0 30.0 53.8 36.2 475 285 B G S < S+ 0 0 28 -4,-2.5 -4,-0.1 -5,-0.4 -3,-0.1 0.342 84.8 62.0 98.6 -4.8 33.0 54.9 38.3 476 286 B M S S- 0 0 95 -6,-0.3 -2,-0.2 -5,-0.0 -1,-0.2 -0.984 93.3 -97.4-144.4 148.7 31.7 58.5 38.6 477 287 B P > - 0 0 13 0, 0.0 3,-1.0 0, 0.0 -32,-0.1 -0.282 38.4-117.4 -62.8 154.3 28.5 60.0 40.2 478 288 B P T 3 S+ 0 0 2 0, 0.0 19,-0.3 0, 0.0 -33,-0.1 0.724 107.1 42.0 -75.0 -19.2 25.7 60.7 37.8 479 289 B F T 3 S+ 0 0 0 -35,-0.3 11,-0.2 17,-0.1 12,-0.2 0.108 77.1 148.0-115.3 20.1 25.4 64.5 38.1 480 290 B D < + 0 0 68 -3,-1.0 3,-0.1 10,-0.1 -4,-0.0 -0.267 17.1 155.7 -56.6 138.0 29.1 65.3 38.1 481 291 B S - 0 0 19 1,-0.1 6,-0.1 2,-0.0 -2,-0.1 -0.979 53.2-110.4-160.3 158.9 29.9 68.6 36.5 482 292 B P S S+ 0 0 143 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.918 98.8 48.7 -66.7 -35.9 32.5 71.4 36.7 483 293 B S S > S- 0 0 52 1,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.712 75.2-131.9-106.4 156.3 30.3 73.9 38.4 484 294 B H H > S+ 0 0 101 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.899 108.1 55.2 -62.9 -44.7 28.0 73.8 41.4 485 295 B T H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 109.2 48.6 -63.1 -36.3 25.1 75.4 39.6 486 296 B E H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.940 112.2 47.3 -66.9 -47.6 25.3 72.7 36.8 487 297 B T H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.938 112.9 50.7 -58.0 -44.9 25.4 69.9 39.4 488 298 B H H X S+ 0 0 59 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.937 112.2 46.8 -55.0 -47.9 22.5 71.5 41.2 489 299 B R H X S+ 0 0 106 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.887 112.2 48.9 -63.2 -45.8 20.5 71.8 37.9 490 300 B R H <>S+ 0 0 21 -4,-2.7 5,-2.8 -11,-0.2 4,-0.3 0.876 111.8 50.6 -64.3 -41.2 21.3 68.2 36.9 491 301 B I H ><5S+ 0 0 0 -4,-2.6 3,-1.5 -5,-0.2 -2,-0.2 0.978 113.3 42.2 -58.7 -57.0 20.2 66.9 40.3 492 302 B V H 3<5S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.790 120.3 43.4 -68.8 -24.1 16.8 68.7 40.5 493 303 B N T 3<5S- 0 0 101 -4,-1.9 -1,-0.3 -5,-0.2 3,-0.2 0.361 106.0-129.7 -95.7 5.0 16.1 67.9 36.8 494 304 B V T < 5 - 0 0 33 -3,-1.5 2,-2.2 -4,-0.3 -3,-0.2 0.944 33.0-172.0 45.3 57.3 17.3 64.3 37.3 495 305 B D < - 0 0 42 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.2 -0.502 7.5-179.3 -86.0 74.2 19.4 64.7 34.2 496 306 B L - 0 0 42 -2,-2.2 2,-0.4 -3,-0.2 -17,-0.1 -0.613 18.5-178.8 -78.9 134.5 20.7 61.1 33.8 497 307 B K - 0 0 139 -19,-0.3 -2,-0.1 -2,-0.3 -1,-0.1 -0.706 17.3-158.9-128.1 82.9 23.0 60.2 31.0 498 308 B F - 0 0 48 -2,-0.4 -2,-0.0 1,-0.1 9,-0.0 -0.362 21.8-116.6 -60.7 129.0 23.6 56.5 31.4 499 309 B P > - 0 0 23 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.326 22.0-118.8 -60.1 148.3 26.8 55.2 29.8 500 310 B P T 3 S+ 0 0 132 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.601 108.4 70.7 -62.8 -16.5 26.2 52.7 26.9 501 311 B F T 3 S+ 0 0 105 2,-0.0 2,-0.2 -27,-0.0 -3,-0.0 0.602 76.4 100.6 -81.6 -7.0 28.2 50.1 28.8 502 312 B L S < S- 0 0 14 -3,-1.4 2,-0.1 1,-0.1 -28,-0.0 -0.512 74.9-121.3 -76.3 139.5 25.4 49.7 31.5 503 313 B S > - 0 0 37 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.333 22.6-112.2 -72.3 164.0 23.1 46.7 31.2 504 314 B D H > S+ 0 0 131 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.847 115.2 56.4 -62.1 -38.6 19.3 47.1 30.9 505 315 B G H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 27,-0.2 0.939 108.9 45.0 -62.3 -45.6 18.8 45.6 34.4 506 316 B S H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.910 113.2 49.7 -68.4 -40.7 21.1 48.0 36.2 507 317 B K H X S+ 0 0 64 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.898 108.8 54.3 -65.1 -37.5 19.6 51.0 34.3 508 318 B D H X S+ 0 0 59 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.954 110.5 44.9 -58.4 -52.5 16.2 49.9 35.2 509 319 B L H >X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 3,-0.8 0.938 115.4 46.5 -58.2 -50.7 17.0 49.7 39.0 510 320 B I H >X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 3,-0.7 0.918 110.2 53.1 -58.6 -45.5 18.8 53.1 39.0 511 321 B S H 3< S+ 0 0 49 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.644 109.2 51.4 -67.9 -16.2 16.0 54.8 37.0 512 322 B K H << S+ 0 0 84 -3,-0.8 10,-1.9 -4,-0.8 -1,-0.3 0.682 113.4 43.0 -89.9 -21.0 13.5 53.5 39.6 513 323 B L H << S+ 0 0 0 -4,-1.2 2,-1.8 -3,-0.7 -2,-0.2 0.830 103.0 65.2 -88.3 -37.1 15.5 54.8 42.6 514 324 B L < + 0 0 5 -4,-2.7 2,-0.5 -5,-0.2 -1,-0.2 -0.554 68.3 144.7 -92.8 72.7 16.4 58.3 41.3 515 325 B R - 0 0 89 -2,-1.8 6,-0.2 -3,-0.2 5,-0.1 -0.944 50.4-139.0-109.0 136.2 13.0 59.8 41.0 516 326 B Y S S+ 0 0 87 -2,-0.5 -67,-0.2 4,-0.1 -1,-0.1 0.929 92.6 66.6 -53.6 -50.3 12.4 63.4 41.8 517 327 B H S > S- 0 0 98 1,-0.2 3,-1.7 -3,-0.1 4,-0.4 -0.660 82.3-144.7 -79.7 113.9 9.2 62.8 43.7 518 328 B P G > S+ 0 0 26 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.855 93.0 57.9 -50.3 -47.7 10.2 60.8 46.9 519 329 B P G 3 S+ 0 0 85 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 0.666 99.9 61.5 -64.1 -13.7 7.1 58.5 47.1 520 330 B Q G < S+ 0 0 95 -3,-1.7 -4,-0.1 2,-0.1 -6,-0.1 0.602 78.1 112.9 -77.8 -16.6 7.8 57.2 43.6 521 331 B R S < S- 0 0 6 -3,-2.1 -8,-0.2 -4,-0.4 -7,-0.1 -0.336 82.6 -99.9 -61.8 136.7 11.2 55.8 44.6 522 332 B L - 0 0 34 -10,-1.9 -1,-0.1 -13,-0.2 5,-0.1 -0.408 44.5-116.2 -54.7 126.0 11.4 52.0 44.5 523 333 B P >> - 0 0 83 0, 0.0 4,-1.4 0, 0.0 3,-0.6 -0.256 24.0-108.3 -61.8 158.9 11.1 50.8 48.1 524 334 B L H 3> S+ 0 0 8 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.867 121.6 55.8 -55.5 -34.5 14.1 49.0 49.7 525 335 B K H 3> S+ 0 0 119 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.906 105.5 51.1 -64.7 -36.9 12.2 45.7 49.5 526 336 B G H <4 S+ 0 0 22 -3,-0.6 4,-0.5 2,-0.2 -1,-0.2 0.809 107.1 54.1 -70.7 -25.4 11.7 46.2 45.8 527 337 B V H >< S+ 0 0 0 -4,-1.4 3,-0.8 2,-0.2 -2,-0.2 0.933 109.7 47.2 -69.6 -47.8 15.5 46.8 45.4 528 338 B M H 3< S+ 0 0 42 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.853 118.8 41.3 -62.4 -32.5 16.2 43.4 47.2 529 339 B E T 3< S+ 0 0 140 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.457 83.9 126.7 -92.1 -4.4 13.6 41.7 44.9 530 340 B H X> - 0 0 8 -3,-0.8 4,-2.8 -4,-0.5 3,-0.6 -0.310 67.4-127.4 -57.8 134.7 14.7 43.6 41.7 531 341 B P H 3> S+ 0 0 93 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.790 108.8 53.2 -62.2 -26.7 15.4 41.0 39.0 532 342 B W H 3> S+ 0 0 11 -27,-0.2 4,-1.4 2,-0.2 5,-0.1 0.837 112.0 46.3 -69.5 -36.7 18.9 42.5 38.3 533 343 B V H <> S+ 0 0 0 -3,-0.6 4,-2.6 -6,-0.2 -1,-0.1 0.955 114.4 46.8 -69.3 -46.7 19.7 42.2 42.0 534 344 B K H < S+ 0 0 139 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.895 114.6 46.5 -60.4 -41.2 18.4 38.7 42.3 535 345 B A H < S+ 0 0 61 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.814 125.3 29.4 -74.4 -27.5 20.2 37.5 39.1 536 346 B N H < S+ 0 0 24 -4,-1.4 -151,-0.3 -5,-0.1 -2,-0.2 0.667 86.7 107.8-109.7 -18.2 23.5 39.1 40.1 537 347 B S < + 0 0 14 -4,-2.6 -155,-0.1 -153,-0.2 -156,-0.1 -0.376 33.6 179.4 -67.4 141.5 23.9 39.2 43.9 538 348 B R + 0 0 151 -157,-0.4 -1,-0.1 -156,-0.1 -4,-0.1 -0.293 25.2 167.8-126.0 36.9 26.4 36.8 45.4 539 349 B R - 0 0 46 -155,-0.0 2,-0.4 1,-0.0 -153,-0.0 -0.302 18.4-162.6 -61.4 138.6 25.8 38.0 49.0 540 350 B V - 0 0 63 -123,-0.1 -123,-0.1 3,-0.0 -2,-0.1 -0.933 12.5-137.6-114.1 144.9 27.1 36.0 51.9 541 351 B L - 0 0 113 -2,-0.4 3,-0.1 1,-0.1 -199,-0.0 -0.833 35.3-100.0 -94.6 142.9 25.9 36.3 55.5 542 352 B P - 0 0 39 0, 0.0 23,-0.1 0, 0.0 -1,-0.1 -0.273 56.0 -84.8 -58.7 148.1 28.6 36.3 58.1 543 353 B P - 0 0 43 0, 0.0 2,-0.1 0, 0.0 23,-0.0 -0.083 39.1-141.4 -59.8 151.2 28.9 32.9 59.8 544 354 B V 0 0 129 -3,-0.1 -3,-0.0 21,-0.1 0, 0.0 -0.291 360.0 360.0 -87.3-175.1 26.8 31.8 62.7 545 355 B Y 0 0 243 -2,-0.1 21,-0.1 21,-0.1 23,-0.0 -0.805 360.0 360.0 124.9 360.0 27.8 29.8 65.7 546 !* 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 0.0 547 798 C I 0 0 202 0, 0.0 5,-0.2 0, 0.0 -257,-0.1 0.000 360.0 360.0 360.0 -73.1 55.0 46.4 66.3 548 799 C P >> - 0 0 40 0, 0.0 3,-1.4 0, 0.0 4,-0.7 -0.022 360.0-133.4 -54.8 131.0 52.9 44.1 68.4 549 800 C A G >4 S+ 0 0 70 1,-0.3 3,-1.1 2,-0.2 6,-0.3 0.837 103.7 55.2 -46.5 -45.9 53.2 40.5 67.0 550 801 C W G 34 S+ 0 0 37 1,-0.2 -1,-0.3 5,-0.1 9,-0.2 0.782 110.6 48.8 -62.4 -25.8 49.4 39.8 67.1 551 802 C A G <4 S+ 0 0 4 -3,-1.4 -1,-0.2 -262,-0.1 -2,-0.2 0.549 84.0 114.0 -90.5 -11.2 48.9 43.0 65.0 552 803 C S S S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.825 114.2 43.7 -36.2 -56.2 50.2 41.5 58.8 554 805 C N H > S+ 0 0 134 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.892 118.4 41.8 -66.6 -43.5 50.8 37.7 58.7 555 806 C L H > S+ 0 0 98 -3,-0.4 4,-2.3 -6,-0.3 3,-0.2 0.907 112.1 57.7 -67.6 -39.9 49.5 36.9 62.2 556 807 C L H X S+ 0 0 14 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.922 101.2 53.8 -57.2 -47.5 46.6 39.3 61.8 557 808 C T H X S+ 0 0 84 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.844 112.1 44.1 -57.1 -41.9 45.1 37.6 58.7 558 809 C Q H X S+ 0 0 149 -4,-1.0 4,-2.0 -3,-0.2 -1,-0.2 0.889 114.2 48.2 -74.5 -40.5 45.0 34.2 60.4 559 810 C A H X S+ 0 0 38 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.928 112.9 49.2 -65.5 -40.4 43.6 35.5 63.6 560 811 C I H X S+ 0 0 12 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.930 109.8 52.9 -62.1 -45.1 40.9 37.6 61.7 561 812 C R H X S+ 0 0 139 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.918 110.8 44.9 -58.2 -44.2 40.0 34.5 59.7 562 813 C Q H X S+ 0 0 123 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.903 112.4 51.9 -68.3 -38.7 39.5 32.3 62.8 563 814 C Q H < S+ 0 0 39 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.896 109.5 51.0 -64.3 -40.1 37.5 35.1 64.5 564 815 C Y H < S+ 0 0 37 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.915 117.3 37.2 -60.0 -49.2 35.3 35.4 61.4 565 816 C Y H < S+ 0 0 95 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.699 125.7 39.7 -81.1 -20.9 34.5 31.6 61.2 566 817 C K S < S- 0 0 138 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.576 83.4-178.5-123.5 69.6 34.3 31.1 65.0 567 818 C P - 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