==== 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 PHOSPHOTRANSFERASE 15-MAY-98 1KI3 . COMPND 2 MOLECULE: THYMIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HERPES SIMPLEX VIRUS (TYPE 1 / STRAIN . AUTHOR J.N.CHAMPNESS,M.S.BENNETT,F.WIEN,R.VISSE,R.L.JARVEST, . 614 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 2.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 39 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.6 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 4 0 1 3 3 3 0 1 1 2 2 2 0 0 0 0 0 2 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 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 PARALLEL BRIDGES PER LADDER . 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 46 A M 0 0 83 0, 0.0 287,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 162.2 42.7 60.0 28.6 2 47 A P - 0 0 53 0, 0.0 285,-1.9 0, 0.0 2,-0.2 -0.333 360.0-113.7 -69.1 164.6 46.0 60.4 30.5 3 48 A T E -A 286 0A 12 283,-0.2 103,-1.2 101,-0.2 104,-0.8 -0.609 22.4-155.1 -99.5 164.6 45.7 60.9 34.3 4 49 A L E -Ab 285 107A 0 281,-2.7 281,-2.2 -2,-0.2 2,-0.4 -0.940 4.2-153.6-135.0 151.2 46.5 63.8 36.4 5 50 A L E - b 0 108A 3 102,-2.1 104,-3.4 -2,-0.3 2,-0.5 -0.971 13.5-170.5-130.2 113.2 47.4 64.0 40.1 6 51 A R E -cb 151 109A 1 144,-0.5 146,-0.6 277,-0.5 2,-0.4 -0.908 3.1-176.0-106.6 132.5 46.6 67.3 41.8 7 52 A V E -cb 152 110A 5 102,-2.9 104,-3.1 -2,-0.5 2,-0.7 -0.992 12.8-158.8-129.2 134.3 47.8 68.0 45.3 8 53 A Y E -cb 153 111A 5 144,-2.2 146,-2.1 -2,-0.4 2,-1.1 -0.941 12.1-151.1-113.7 102.0 46.9 71.1 47.3 9 54 A I E +c 154 0A 0 102,-2.4 104,-0.4 -2,-0.7 146,-0.2 -0.689 38.3 156.0 -75.7 102.0 49.6 71.6 50.0 10 55 A D + 0 0 0 144,-2.8 146,-0.2 -2,-1.1 7,-0.1 -0.204 8.9 104.1-111.9-159.3 47.5 73.3 52.7 11 56 A G S S- 0 0 0 144,-0.2 2,-0.1 -2,-0.1 146,-0.1 -0.532 76.7 -32.0 110.9 178.7 47.4 73.9 56.4 12 57 A P - 0 0 7 0, 0.0 3,-0.3 0, 0.0 144,-0.1 -0.435 68.4-109.0 -72.5 147.6 48.3 77.0 58.6 13 58 A H S S+ 0 0 10 1,-0.2 154,-0.1 -2,-0.1 158,-0.0 -0.263 96.5 49.8 -71.4 162.5 51.0 79.3 57.4 14 59 A G S S+ 0 0 4 152,-0.1 153,-0.6 153,-0.1 -1,-0.2 0.771 85.6 96.1 79.5 25.2 54.4 79.5 59.1 15 60 A M S S- 0 0 2 -3,-0.3 -2,-0.1 151,-0.2 152,-0.0 0.642 97.1 -97.6-114.9 -31.1 54.9 75.7 59.1 16 61 A G S > S+ 0 0 7 150,-0.1 4,-3.7 3,-0.0 5,-0.3 0.485 76.2 129.4 124.8 7.3 57.0 74.9 56.0 17 62 A K H > S+ 0 0 4 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.975 83.9 46.0 -51.2 -62.4 54.7 73.9 53.1 18 63 A T H > S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.887 115.1 47.8 -45.4 -51.4 56.3 76.4 50.8 19 64 A T H > S+ 0 0 62 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.936 117.8 40.1 -59.6 -48.4 59.8 75.3 51.9 20 65 A T H X S+ 0 0 2 -4,-3.7 4,-1.0 1,-0.2 -2,-0.2 0.818 111.3 57.5 -73.9 -31.2 59.0 71.6 51.5 21 66 A T H >X S+ 0 0 0 -4,-3.7 4,-1.2 -5,-0.3 3,-0.5 0.912 103.6 49.6 -67.7 -44.0 57.1 71.9 48.3 22 67 A Q H 3X S+ 0 0 107 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.853 104.1 62.6 -61.5 -39.4 59.8 73.7 46.2 23 68 A L H 3< S+ 0 0 55 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.841 99.8 52.0 -53.9 -42.1 62.3 71.0 47.3 24 69 A L H << S+ 0 0 30 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.861 111.8 47.3 -62.3 -42.6 60.3 68.2 45.6 25 70 A V H < 0 0 60 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.704 360.0 360.0 -74.4 -21.6 60.3 70.2 42.4 26 71 A A < 0 0 115 -4,-1.5 -1,-0.2 -3,-0.0 -2,-0.1 -0.425 360.0 360.0-134.5 360.0 64.0 70.9 42.5 27 ! 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 28 77 A D 0 0 159 0, 0.0 80,-5.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -52.1 55.7 65.2 35.4 29 78 A I E +d 108 0A 42 78,-0.2 2,-0.2 -4,-0.1 80,-0.2 -0.905 360.0 175.4-114.1 119.7 55.6 67.6 38.4 30 79 A V E -d 109 0A 15 78,-2.6 80,-1.5 -2,-0.5 2,-0.4 -0.649 18.2-143.5-108.3 170.4 54.6 71.3 38.2 31 80 A Y E -d 110 0A 37 -2,-0.2 80,-0.2 78,-0.2 273,-0.1 -0.962 6.2-160.6-141.4 118.8 54.2 73.8 41.1 32 81 A V E -d 111 0A 8 78,-3.9 80,-2.0 -2,-0.4 269,-0.1 -0.839 29.6-161.2-103.1 97.2 51.6 76.6 41.3 33 82 A P - 0 0 23 0, 0.0 79,-0.4 0, 0.0 275,-0.1 0.394 31.8 -59.3 -60.2-170.5 53.1 78.9 44.0 34 83 A E - 0 0 21 1,-0.1 2,-3.3 77,-0.1 275,-0.6 -0.700 45.5-126.8 -80.3 129.8 51.6 81.7 46.2 35 84 A P >> + 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-1.4 -0.086 54.8 150.4 -70.8 51.3 50.1 84.5 44.1 36 85 A M H 3> + 0 0 11 -2,-3.3 4,-2.4 1,-0.3 5,-0.3 0.888 65.9 54.6 -55.0 -39.0 52.3 87.0 46.1 37 86 A T H 3>>S+ 0 0 32 270,-2.9 5,-2.1 -3,-0.4 4,-2.0 0.791 108.2 51.8 -65.5 -24.5 52.5 89.5 43.2 38 87 A Y H <4>S+ 0 0 1 -3,-1.4 5,-2.3 269,-0.6 6,-1.0 0.901 111.8 43.8 -77.4 -41.6 48.8 89.5 43.0 39 88 A W H <5S+ 0 0 6 -4,-2.0 8,-2.7 268,-0.2 -2,-0.2 0.817 124.8 35.8 -70.0 -34.1 48.3 90.2 46.8 40 89 A R H <5S- 0 0 76 -4,-2.4 6,-2.5 6,-0.3 -2,-0.2 0.820 139.5 -6.1 -85.0 -45.0 51.1 92.9 46.8 41 90 A V T <5S+ 0 0 88 -4,-2.0 -3,-0.2 -5,-0.3 -4,-0.1 0.729 119.7 50.4-118.1 -72.0 50.6 94.5 43.4 42 91 A L T > - 0 0 58 -6,-2.5 4,-1.2 -2,-0.5 3,-1.0 0.732 69.5-177.5 39.9 38.4 50.2 94.9 49.7 47 96 A T H >> S+ 0 0 4 -8,-2.7 4,-2.2 1,-0.2 3,-1.1 0.768 72.7 57.7 -31.8 -50.3 47.0 93.3 50.8 48 97 A I H 3> S+ 0 0 12 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.919 102.6 51.4 -54.2 -51.1 48.7 91.3 53.6 49 98 A A H <> S+ 0 0 27 -3,-1.0 4,-2.2 124,-0.4 -1,-0.3 0.818 111.8 52.3 -54.7 -26.8 50.1 94.3 55.4 50 99 A N H S+ 0 0 91 -4,-3.4 5,-3.0 1,-0.2 6,-1.0 0.849 113.3 50.6 -43.5 -39.8 44.3 98.6 64.8 58 107 A L H ><5S+ 0 0 31 -4,-2.8 3,-1.4 -5,-0.3 -1,-0.2 0.996 113.4 43.6 -62.0 -61.3 41.3 96.6 66.1 59 108 A D H 3<5S+ 0 0 84 -4,-2.9 2,-1.4 1,-0.3 -2,-0.2 0.927 112.7 53.6 -49.0 -49.6 43.4 95.0 68.8 60 109 A Q T 3<5S- 0 0 117 -4,-3.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.147 113.3-120.7 -80.9 42.1 45.0 98.3 69.6 61 110 A G T < 5S+ 0 0 68 -2,-1.4 -3,-0.2 -3,-1.4 -2,-0.1 0.597 82.2 117.2 25.5 34.8 41.5 99.9 70.0 62 111 A E S - 0 0 55 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.810 24.0-117.3-107.5 150.1 36.0 99.3 65.5 65 114 A A H > S+ 0 0 54 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.813 120.3 53.3 -47.5 -35.6 34.9 95.7 64.9 66 115 A G H > S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.998 110.9 43.0 -60.9 -63.8 32.6 97.1 62.3 67 116 A D H > S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.766 116.6 48.7 -51.8 -37.0 35.4 98.9 60.5 68 117 A A H X S+ 0 0 0 -4,-2.9 4,-4.5 2,-0.2 3,-0.5 0.993 110.6 50.4 -66.3 -58.5 37.7 96.0 60.8 69 118 A A H X S+ 0 0 11 -4,-2.8 4,-2.9 61,-0.3 -2,-0.2 0.846 109.3 52.4 -43.8 -49.7 35.1 93.5 59.6 70 119 A V H X S+ 0 0 39 -4,-2.7 4,-1.7 2,-0.2 -1,-0.3 0.917 117.7 34.5 -59.4 -47.8 34.4 95.7 56.6 71 120 A V H X S+ 0 0 28 -4,-1.6 4,-2.1 -3,-0.5 -2,-0.2 0.891 116.8 56.6 -75.1 -37.8 38.0 96.0 55.4 72 121 A M H X S+ 0 0 0 -4,-4.5 4,-1.3 -5,-0.2 -2,-0.2 0.873 106.4 50.6 -61.5 -35.8 38.7 92.5 56.6 73 122 A T H >X S+ 0 0 5 -4,-2.9 4,-1.4 -5,-0.3 3,-0.6 0.990 109.3 48.9 -65.5 -55.7 36.0 91.1 54.4 74 123 A S H 3X S+ 0 0 8 -4,-1.7 4,-1.3 307,-0.3 3,-0.4 0.874 106.6 56.3 -49.2 -49.8 37.1 92.9 51.2 75 124 A A H 3X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 3,-0.3 0.872 101.8 55.7 -52.7 -45.5 40.7 91.7 51.6 76 125 A Q H X S+ 0 0 11 -4,-2.1 4,-1.6 38,-0.2 3,-0.9 0.666 88.2 96.3 -89.3 -14.5 41.3 84.0 47.3 81 130 A M H 3X S+ 0 0 4 -4,-0.9 4,-2.2 -5,-0.2 3,-0.4 0.850 82.6 47.9 -41.0 -62.6 41.0 85.4 43.8 82 131 A P H 3> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.823 110.7 53.9 -51.3 -36.7 43.8 83.5 42.1 83 132 A Y H <> S+ 0 0 20 -3,-0.9 4,-3.3 -4,-0.2 -2,-0.2 0.900 111.3 44.4 -65.8 -45.7 42.6 80.2 43.6 84 133 A A H X S+ 0 0 6 -4,-1.6 4,-3.4 -3,-0.4 5,-0.3 0.998 113.1 47.0 -65.2 -63.3 39.1 80.6 42.3 85 134 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.867 115.9 49.4 -46.3 -43.3 39.9 81.7 38.8 86 135 A T H >X S+ 0 0 11 -4,-1.8 4,-2.6 -5,-0.3 3,-1.2 0.994 112.0 46.1 -58.9 -61.0 42.4 78.8 38.7 87 136 A D H 3X S+ 0 0 13 -4,-3.3 4,-2.5 1,-0.3 -2,-0.2 0.837 115.5 48.1 -51.8 -36.1 39.9 76.3 40.0 88 137 A A H 3< S+ 0 0 24 -4,-3.4 -1,-0.3 2,-0.2 -2,-0.2 0.756 113.4 44.8 -78.5 -25.1 37.4 77.6 37.5 89 138 A V H << S+ 0 0 33 -4,-1.9 -2,-0.2 -3,-1.2 -1,-0.2 0.735 119.2 44.8 -87.2 -24.6 39.8 77.6 34.5 90 139 A L H >< S+ 0 0 0 -4,-2.6 3,-3.0 -5,-0.2 4,-0.4 0.932 89.4 86.6 -80.6 -54.7 41.0 74.1 35.5 91 140 A A G >< S+ 0 0 27 -4,-2.5 3,-1.9 -5,-0.3 -1,-0.1 0.623 83.9 53.3 -15.8 -61.4 37.6 72.4 36.3 92 141 A P G 3 S+ 0 0 65 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.678 100.6 60.9 -60.5 -21.4 36.7 71.2 32.8 93 142 A H G < S+ 0 0 34 -3,-3.0 195,-1.3 -4,-0.1 2,-0.5 0.595 84.6 98.7 -81.3 -8.8 39.9 69.4 32.2 94 143 A I E < -E 287 0A 14 -3,-1.9 193,-0.2 -4,-0.4 2,-0.1 -0.679 52.5-177.1 -86.3 119.8 39.2 67.1 35.2 95 144 A G E - 0 0 17 191,-3.2 193,-0.1 -2,-0.5 3,-0.1 -0.296 39.6 -60.3 -96.9-166.0 37.8 63.8 34.4 96 145 A G E - 0 0 43 1,-0.2 190,-1.6 189,-0.2 -1,-0.2 -0.322 65.7 -75.3 -81.0 162.4 36.7 61.2 36.9 97 146 A E E -E 285 0A 97 188,-0.2 2,-1.4 1,-0.1 188,-0.3 -0.301 41.8-142.2 -54.8 120.8 38.8 59.4 39.5 98 147 A A - 0 0 7 186,-1.7 2,-0.8 2,-0.3 186,-0.2 -0.625 53.7 -80.1 -90.4 79.5 40.9 56.8 37.7 99 148 A G 0 0 71 -2,-1.4 -2,-0.0 184,-0.1 -1,-0.0 -0.556 360.0 360.0 62.3-106.5 40.7 54.1 40.3 100 149 A S 0 0 80 -2,-0.8 184,-0.4 183,-0.1 -2,-0.3 -0.285 360.0 360.0-105.3 360.0 43.4 55.6 42.6 101 ! 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 0.0 102 152 A A 0 0 48 0, 0.0 -4,-0.1 0, 0.0 183,-0.1 0.000 360.0 360.0 360.0 111.9 45.6 54.6 37.8 103 153 A P + 0 0 103 0, 0.0 3,-0.0 0, 0.0 -3,-0.0 -0.584 360.0 37.8-111.4 171.0 49.3 55.4 37.7 104 154 A P S S- 0 0 121 0, 0.0 -101,-0.2 0, 0.0 0, 0.0 0.482 78.7-138.4 -80.8 132.7 51.9 56.7 36.8 105 155 A P - 0 0 30 0, 0.0 -101,-0.2 0, 0.0 3,-0.1 -0.202 9.8-130.2 -55.4 143.0 49.9 60.0 36.2 106 156 A A S S+ 0 0 54 -103,-1.2 2,-0.3 1,-0.2 -102,-0.2 0.751 91.6 11.3 -67.6 -19.6 50.9 61.8 33.1 107 157 A L E -b 4 0A 4 -104,-0.8 -102,-2.1 2,-0.0 2,-0.5 -0.963 63.0-151.6-159.1 136.9 51.3 65.0 35.2 108 158 A T E -bd 5 29A 15 -80,-5.3 -78,-2.6 -2,-0.3 2,-0.6 -0.956 14.6-159.7-111.8 120.7 51.4 65.9 38.9 109 159 A L E -bd 6 30A 1 -104,-3.4 -102,-2.9 -2,-0.5 2,-0.6 -0.874 1.2-162.6-103.8 123.7 50.2 69.4 39.8 110 160 A I E -bd 7 31A 4 -80,-1.5 -78,-3.9 -2,-0.6 2,-0.4 -0.938 10.4-165.8-106.1 121.1 51.3 70.8 43.2 111 161 A F E -bd 8 32A 11 -104,-3.1 -102,-2.4 -2,-0.6 2,-1.1 -0.862 22.7-132.4-105.5 145.5 49.2 73.8 44.3 112 162 A D S S- 0 0 4 -80,-2.0 -102,-0.1 -79,-0.4 -104,-0.1 -0.715 80.2 -24.6 -97.9 80.4 50.1 76.1 47.0 113 163 A R S S- 0 0 14 -2,-1.1 -104,-0.2 -104,-0.4 -103,-0.1 -0.039 71.8-104.4 95.3 158.3 46.8 76.1 49.0 114 164 A H >> - 0 0 7 -106,-0.1 3,-3.0 -3,-0.1 4,-0.7 -0.855 33.7-102.3-117.9 156.6 43.1 75.4 48.0 115 165 A P H 3> S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.777 119.6 66.2 -46.3 -30.8 40.1 77.8 47.4 116 166 A I H 3>>S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-1.7 0.835 86.5 65.9 -67.2 -28.8 39.0 76.7 50.8 117 167 A A H <4>S+ 0 0 2 -3,-3.0 5,-2.5 1,-0.2 -1,-0.2 0.929 119.0 25.3 -58.6 -35.8 41.9 78.4 52.5 118 168 A A H <5S+ 0 0 6 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.638 128.3 45.6 -99.5 -20.9 40.5 81.7 51.3 119 169 A L H <5S- 0 0 9 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.566 135.6 -2.9 -98.1 -11.9 36.8 80.7 51.0 120 170 A L T X5S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.434 122.7 51.4-139.5 -67.2 36.5 78.9 54.4 121 171 A C H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.907 108.8 49.2 -54.0 -39.7 37.7 83.6 56.9 124 174 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -3,-0.4 -2,-0.2 0.893 112.3 51.2 -63.7 -39.7 36.7 81.3 59.8 125 175 A A H < S+ 0 0 0 -4,-2.3 4,-0.5 -5,-0.2 3,-0.3 0.994 109.1 45.9 -61.1 -63.1 39.9 82.3 61.5 126 176 A R H ><>S+ 0 0 6 -4,-3.0 3,-1.8 1,-0.2 5,-1.5 0.856 108.9 58.5 -51.9 -34.3 39.5 86.1 61.2 127 177 A Y H ><5S+ 0 0 48 -4,-2.0 3,-3.0 -5,-0.3 5,-0.4 0.984 101.7 53.1 -56.0 -55.4 35.9 85.6 62.4 128 178 A L T 3<5S+ 0 0 54 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.541 105.9 59.7 -55.1 -8.0 37.3 84.0 65.6 129 179 A M T < 5S- 0 0 32 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.390 112.6-114.8-103.0 -0.9 39.4 87.3 65.8 130 180 A G T < 5S+ 0 0 44 -3,-3.0 -61,-0.3 -4,-0.3 -3,-0.2 0.464 95.5 98.9 82.2 -0.2 36.5 89.8 66.0 131 181 A S S - 0 0 46 -2,-0.3 4,-2.2 -67,-0.1 5,-0.1 -0.132 16.6-134.4 -56.2 140.2 31.2 88.5 60.7 134 184 A P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.925 109.5 57.2 -66.6 -35.8 29.9 84.9 60.7 135 185 A Q H > S+ 0 0 22 1,-0.2 4,-1.2 2,-0.2 220,-0.1 0.899 107.2 49.6 -55.1 -44.6 27.3 85.9 58.1 136 186 A A H >> S+ 0 0 12 1,-0.2 4,-1.3 2,-0.2 3,-0.7 0.935 106.0 55.4 -60.6 -45.9 30.2 87.0 55.9 137 187 A V H 3X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.3 -1,-0.2 0.863 107.3 50.0 -57.3 -35.9 32.0 83.8 56.5 138 188 A L H 3X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.3 0.803 99.1 66.1 -76.4 -22.2 29.0 81.9 55.2 139 189 A A H - 0 0 56 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.312 34.9-106.0 -59.0 148.3 53.3 71.5 67.7 160 210 A E H > S+ 0 0 65 1,-0.2 4,-3.2 2,-0.2 3,-0.2 0.876 117.5 51.1 -39.1 -60.0 52.4 75.1 68.7 161 211 A D H > S+ 0 0 107 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.872 112.8 43.8 -47.2 -55.1 55.9 75.9 70.0 162 212 A R H > S+ 0 0 75 -3,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.859 114.2 51.6 -61.8 -37.0 57.8 74.7 66.8 163 213 A H H X S+ 0 0 0 -4,-2.4 4,-4.9 -3,-0.2 5,-0.4 0.943 107.4 51.6 -64.8 -47.5 55.2 76.5 64.7 164 214 A I H X S+ 0 0 49 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.926 112.4 49.1 -51.9 -46.3 55.7 79.7 66.7 165 215 A D H < S+ 0 0 119 -4,-2.3 4,-0.2 -5,-0.2 -2,-0.2 0.910 117.7 37.3 -61.5 -49.3 59.3 79.2 65.9 166 216 A R H >X S+ 0 0 33 -4,-2.8 3,-2.3 2,-0.2 4,-0.6 0.934 111.2 58.0 -71.3 -44.6 58.8 78.6 62.2 167 217 A L H 3< S+ 0 0 6 -4,-4.9 3,-0.3 -153,-0.6 -1,-0.2 0.818 110.7 47.9 -52.9 -28.5 56.1 81.2 61.8 168 218 A A T 3< S+ 0 0 50 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.547 81.5 93.6 -91.5 -4.8 58.8 83.5 63.2 169 219 A K T <4 S- 0 0 87 -3,-2.3 2,-0.2 1,-0.3 -1,-0.2 0.905 118.1 -58.2 -51.4 -42.3 61.5 82.3 60.8 170 220 A R < - 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0 0 10 -5,-1.9 2,-0.6 -6,-0.2 -1,-0.2 -0.313 23.3-155.8 -67.7 135.2 27.6 62.3 60.4 204 254 A S > - 0 0 52 1,-0.1 4,-1.2 -2,-0.1 5,-0.2 -0.915 6.5-158.3-112.8 118.1 24.7 64.6 59.9 205 255 A W H > S+ 0 0 17 -2,-0.6 4,-2.6 2,-0.2 -1,-0.1 0.803 95.4 52.4 -62.2 -32.4 24.9 68.1 61.3 206 256 A R H 4 S+ 0 0 117 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.954 112.4 46.1 -69.5 -41.7 21.2 68.6 61.3 207 257 A E H 4 S+ 0 0 125 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.675 122.8 35.6 -72.7 -16.3 20.9 65.4 63.3 208 258 A D H >< S+ 0 0 14 -4,-1.2 3,-2.9 1,-0.1 4,-0.4 0.648 85.6 102.0-106.2 -22.8 23.7 66.4 65.7 209 259 A W T 3< S+ 0 0 41 -4,-2.6 3,-0.5 1,-0.3 -2,-0.1 0.588 74.8 60.5 -38.3 -24.8 23.2 70.1 65.9 210 260 A G T 3 S+ 0 0 59 -4,-0.3 3,-0.5 1,-0.2 -1,-0.3 0.453 86.9 73.1 -89.4 -0.3 21.5 70.0 69.4 211 261 A Q S < S+ 0 0 103 -3,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.704 81.7 70.1 -81.5 -23.9 24.5 68.4 71.1 212 262 A L 0 0 23 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.627 360.0 360.0 -67.4 -10.0 26.3 71.7 71.0 213 263 A S 0 0 122 -3,-0.5 -1,-0.3 -4,-0.1 -2,-0.2 0.173 360.0 360.0-123.7 360.0 23.7 72.8 73.5 214 ! 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 0.0 215 280 A P 0 0 122 0, 0.0 -13,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.5 33.3 55.9 64.5 216 281 A R - 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0 0 9 -107,-0.1 3,-3.0 1,-0.1 4,-0.7 -0.937 31.5 -97.3-139.3 152.9 19.9 85.7 39.6 426 165 B P H >> S+ 0 0 5 0, 0.0 3,-2.8 0, 0.0 4,-2.1 0.903 120.3 62.9 -35.3 -53.9 23.4 85.1 41.0 427 166 B I H 3>>S+ 0 0 1 1,-0.3 5,-1.3 2,-0.2 4,-1.0 0.703 92.0 65.7 -48.4 -23.4 25.0 87.1 38.2 428 167 B A H <4>S+ 0 0 1 -3,-3.0 5,-1.7 3,-0.2 -1,-0.3 0.790 113.6 29.6 -72.0 -26.3 23.1 90.2 39.4 429 168 B A H <<5S+ 0 0 5 -3,-2.8 -2,-0.2 -4,-0.7 -38,-0.2 0.760 125.3 45.6-101.4 -31.0 25.1 90.3 42.6 430 169 B L H <5S- 0 0 9 -4,-2.1 25,-0.2 -39,-0.1 24,-0.2 0.397 134.9 -0.5 -94.3 -0.7 28.3 88.7 41.4 431 170 B L T X5S+ 0 0 0 -4,-1.0 4,-2.7 -5,-0.3 5,-0.4 0.214 119.5 49.0-145.7 -83.5 28.5 90.8 38.2 432 171 B C H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 -2,-0.2 0.946 111.8 49.1 -63.2 -52.5 29.4 95.5 41.0 435 174 B A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.908 113.4 50.8 -52.5 -41.0 30.5 96.4 37.4 436 175 B A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.4 -1,-0.2 0.962 110.1 46.6 -61.8 -53.9 28.0 99.1 37.7 437 176 B R H <>S+ 0 0 4 -4,-2.9 5,-2.2 1,-0.2 6,-0.7 0.819 109.4 57.7 -59.3 -30.7 29.4 100.3 41.0 438 177 B Y H ><5S+ 0 0 38 -4,-3.2 3,-3.0 1,-0.2 5,-0.3 0.975 105.3 46.4 -64.0 -53.0 32.8 100.0 39.4 439 178 B L H 3<5S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.802 110.1 57.3 -54.4 -32.0 31.8 102.5 36.5 440 179 B M T 3<5S- 0 0 30 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.362 115.3-127.0 -74.2 -8.7 30.5 104.5 39.5 441 180 B G T < 5S+ 0 0 38 -3,-3.0 -3,-0.2 2,-0.2 -61,-0.1 0.503 83.6 110.0 74.1 7.5 34.0 104.4 40.8 442 181 B S S - 0 0 58 -2,-0.3 4,-1.6 -64,-0.1 -6,-0.1 -0.456 20.0-126.9 -91.5 163.2 37.6 98.4 41.5 445 184 B P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.675 109.5 61.6 -83.6 -16.1 37.7 96.1 38.4 446 185 B Q H > S+ 0 0 22 2,-0.2 4,-1.6 -403,-0.2 3,-0.3 0.993 107.5 41.8 -69.9 -53.6 39.9 93.7 40.2 447 186 B A H > S+ 0 0 9 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.921 111.6 57.5 -55.6 -48.0 37.2 93.1 42.9 448 187 B V H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.3 3,-0.4 0.904 108.4 45.1 -49.1 -48.4 34.6 93.0 40.1 449 188 B L H X S+ 0 0 0 -4,-2.1 4,-2.1 -3,-0.3 -1,-0.3 0.795 104.3 65.5 -69.0 -23.2 36.5 90.1 38.4 450 189 B A H < S+ 0 0 6 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.887 106.2 41.5 -64.8 -38.8 36.9 88.5 41.8 451 190 B F H >X S+ 0 0 4 -4,-1.7 3,-1.9 -3,-0.4 4,-1.1 0.884 109.5 59.2 -73.9 -38.9 33.1 88.0 42.0 452 191 B V H 3< S+ 0 0 0 -4,-1.8 3,-0.4 1,-0.3 -2,-0.2 0.839 102.0 54.2 -59.1 -35.8 33.1 87.0 38.4 453 192 B A T 3< S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.564 109.8 48.8 -74.7 -9.3 35.5 84.1 39.2 454 193 B L T <4 S+ 0 0 23 -3,-1.9 -2,-0.2 -24,-0.2 -1,-0.2 0.606 75.2 123.2-105.9 -11.2 33.0 83.0 41.9 455 194 B I S < S- 0 0 4 -4,-1.1 3,-0.1 -3,-0.4 110,-0.0 -0.236 71.2-113.0 -49.7 124.4 29.9 83.1 39.7 456 195 B P - 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0 0 1 -5,-2.4 2,-0.2 -6,-0.2 -1,-0.2 -0.116 19.1-161.7 -56.2 158.7 32.3 85.9 19.6 515 254 B S >> - 0 0 51 1,-0.1 3,-3.1 0, 0.0 4,-1.3 -0.681 5.0-162.4-147.2 84.1 35.7 85.3 21.0 516 255 B W H 3> S+ 0 0 14 1,-0.3 4,-1.3 2,-0.2 6,-0.2 0.722 87.0 69.6 -39.2 -35.9 36.9 88.4 23.0 517 256 B R H 34 S+ 0 0 125 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.882 107.1 37.7 -54.7 -37.1 40.4 87.1 22.8 518 257 B E H <4 S+ 0 0 161 -3,-3.1 3,-0.4 1,-0.2 -1,-0.2 0.852 121.7 43.8 -81.7 -37.1 40.4 87.8 19.0 519 258 B D H >< S+ 0 0 13 -4,-1.3 3,-1.7 1,-0.2 -2,-0.2 0.404 84.0 98.0 -89.0 1.2 38.4 91.0 19.3 520 259 B W G >< S+ 0 0 27 -4,-1.3 3,-2.7 1,-0.3 -1,-0.2 0.957 82.5 53.1 -54.5 -48.3 40.3 92.3 22.2 521 260 B G G 3 S+ 0 0 76 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.595 94.7 70.6 -63.4 -10.6 42.4 94.5 19.9 522 261 B Q G < 0 0 104 -3,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 0.506 360.0 360.0 -83.1 0.1 39.2 95.8 18.5 523 262 B L < 0 0 56 -3,-2.7 -2,-0.2 -4,-0.2 -1,-0.2 0.932 360.0 360.0 -88.6 360.0 38.8 97.6 21.8 524 ! 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 0.0 525 278 B A 0 0 120 0, 0.0 -17,-0.1 0, 0.0 -13,-0.0 0.000 360.0 360.0 360.0-179.1 18.8 88.0 18.5 526 279 B G - 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