==== 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 1KI7 . 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,W.C.SUMMERS, . 611 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 453 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 8.0 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 . 34 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 40.4 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 4 3 0 1 3 3 0 1 0 3 1 1 2 0 0 0 0 0 2 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 1 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 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 97 0, 0.0 283,-0.0 0, 0.0 284,-0.0 0.000 360.0 360.0 360.0 147.8 42.9 58.7 28.2 2 47 A P - 0 0 52 0, 0.0 281,-2.5 0, 0.0 2,-0.4 -0.221 360.0-123.9 -60.9 157.7 46.1 59.7 30.2 3 48 A T E -A 282 0A 19 279,-0.3 101,-3.8 99,-0.2 102,-1.3 -0.856 19.7-159.9-108.6 144.0 45.8 59.9 34.0 4 49 A L E -Ab 281 105A 0 277,-3.4 277,-2.9 -2,-0.4 2,-0.5 -0.872 6.5-151.9-121.2 148.0 46.6 62.9 36.2 5 50 A L E - b 0 106A 5 100,-3.0 102,-2.9 -2,-0.3 2,-0.4 -0.987 11.5-163.3-120.5 118.9 47.4 63.1 39.9 6 51 A R E -cb 149 107A 1 142,-0.6 144,-0.8 -2,-0.5 2,-0.4 -0.889 7.1-176.4-103.5 134.5 46.4 66.3 41.8 7 52 A V E -cb 150 108A 2 100,-2.5 102,-3.0 -2,-0.4 2,-0.7 -0.971 9.0-163.3-133.6 118.9 48.0 67.0 45.1 8 53 A Y E -cb 151 109A 4 142,-3.1 144,-2.3 -2,-0.4 2,-0.7 -0.874 9.5-152.5-106.8 106.8 47.0 70.0 47.2 9 54 A I E +cb 152 110A 1 100,-2.5 102,-1.7 -2,-0.7 2,-0.3 -0.673 35.1 157.3 -77.8 113.2 49.5 70.8 49.9 10 55 A D E +c 153 0A 0 142,-3.3 144,-0.7 -2,-0.7 -2,-0.0 -0.899 7.6 97.9-137.2 165.6 47.5 72.6 52.6 11 56 A G S S- 0 0 0 -2,-0.3 173,-0.1 142,-0.2 144,-0.1 -0.910 73.2 -28.4 147.0-174.5 47.4 73.4 56.3 12 57 A P S S- 0 0 6 0, 0.0 3,-0.4 0, 0.0 2,-0.1 -0.271 71.3-100.1 -65.7 160.0 48.4 76.3 58.6 13 58 A H S S+ 0 0 10 1,-0.2 152,-0.2 2,-0.1 170,-0.0 -0.397 98.8 41.4 -78.6 154.7 51.1 78.7 57.5 14 59 A G S S+ 0 0 6 150,-0.1 151,-0.7 -2,-0.1 -1,-0.2 0.737 78.7 108.5 81.5 24.5 54.6 78.5 58.9 15 60 A M S S- 0 0 5 -3,-0.4 -2,-0.1 149,-0.2 140,-0.1 0.654 92.4-103.5-103.6 -20.5 55.0 74.7 58.8 16 61 A G S S+ 0 0 4 152,-0.0 5,-0.2 145,-0.0 4,-0.1 0.495 74.9 136.8 106.9 12.9 57.4 74.3 55.9 17 62 A K S >> S+ 0 0 6 1,-0.2 3,-1.5 2,-0.2 4,-1.5 0.964 78.5 31.8 -51.1 -69.1 54.9 73.2 53.2 18 63 A T H >> S+ 0 0 17 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.915 115.2 59.8 -58.6 -47.6 56.1 75.3 50.4 19 64 A T H 34 S+ 0 0 69 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.274 117.3 31.8 -68.9 9.1 59.7 75.2 51.5 20 65 A T H <> S+ 0 0 6 -3,-1.5 4,-0.8 247,-0.1 -1,-0.3 0.334 113.8 58.5-137.2 -15.7 59.8 71.4 51.2 21 66 A T H << S+ 0 0 4 -4,-1.5 -2,-0.2 -3,-0.6 -3,-0.2 0.806 100.4 56.4 -85.8 -30.8 57.3 70.9 48.3 22 67 A Q T < S+ 0 0 125 -4,-2.3 -1,-0.1 1,-0.2 -3,-0.1 0.834 103.9 58.2 -62.0 -36.8 59.4 73.0 46.0 23 68 A L T 4 0 0 85 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.909 360.0 360.0 -52.6 -51.9 62.1 70.5 46.9 24 69 A L < 0 0 50 -4,-0.8 -1,-0.2 -3,-0.0 -2,-0.2 0.829 360.0 360.0 -44.6 360.0 59.9 67.7 45.6 25 ! 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 26 77 A D 0 0 141 0, 0.0 80,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -14.7 55.6 64.6 34.7 27 78 A I E +d 106 0A 82 78,-0.2 2,-0.3 80,-0.0 80,-0.2 -0.986 360.0 177.5-137.4 119.7 55.6 66.8 37.9 28 79 A V E -d 107 0A 21 78,-2.6 80,-3.4 -2,-0.4 2,-0.5 -0.935 18.1-142.9-122.0 150.9 54.6 70.5 37.9 29 80 A Y E -d 108 0A 50 -2,-0.3 80,-0.2 78,-0.2 271,-0.1 -0.961 2.8-159.3-122.3 119.5 54.3 72.8 40.9 30 81 A V E -d 109 0A 4 78,-4.0 80,-2.4 -2,-0.5 267,-0.1 -0.854 29.1-158.7 -97.6 94.8 51.6 75.5 41.1 31 82 A P - 0 0 21 0, 0.0 79,-0.3 0, 0.0 273,-0.1 0.096 29.9 -67.4 -66.6 179.1 53.2 77.9 43.6 32 83 A E - 0 0 16 1,-0.1 2,-2.9 77,-0.1 273,-0.4 -0.593 44.9-120.9 -74.5 130.0 51.6 80.5 45.9 33 84 A P >> + 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-1.2 -0.024 56.9 149.3 -66.1 47.0 50.0 83.4 44.0 34 85 A M H 3> + 0 0 16 -2,-2.9 4,-2.7 1,-0.3 5,-0.2 0.806 68.0 52.0 -52.0 -39.0 52.3 85.9 45.9 35 86 A T H 3>>S+ 0 0 24 268,-3.5 4,-2.4 -3,-0.3 5,-1.9 0.843 110.4 50.0 -69.7 -30.4 52.5 88.4 43.0 36 87 A Y H <4>S+ 0 0 2 -3,-1.2 5,-2.2 267,-0.5 6,-0.7 0.911 113.3 45.6 -72.4 -38.0 48.7 88.4 42.8 37 88 A W H <5S+ 0 0 10 -4,-2.1 8,-2.6 266,-0.2 -2,-0.2 0.878 122.2 36.6 -70.5 -40.8 48.4 89.0 46.5 38 89 A R H <5S- 0 0 80 -4,-2.7 6,-1.6 6,-0.3 -2,-0.2 0.806 140.0 -9.2 -81.8 -35.0 51.0 91.8 46.5 39 90 A V T <5S+ 0 0 90 -4,-2.4 -3,-0.2 -5,-0.2 -4,-0.1 0.644 117.7 57.2-129.0 -62.2 50.3 93.5 43.2 40 91 A L T + 0 0 72 -6,-1.6 4,-2.3 -2,-0.5 -6,-0.3 0.944 67.7 173.8 49.7 59.5 50.0 93.9 49.8 45 96 A T H > S+ 0 0 3 -8,-2.6 4,-2.3 -3,-0.3 5,-0.2 0.951 78.1 54.0 -61.0 -44.3 46.9 92.0 50.6 46 97 A I H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 109.4 47.4 -54.5 -46.3 48.9 90.0 53.3 47 98 A A H > S+ 0 0 21 124,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.897 110.2 52.5 -60.3 -47.2 50.0 93.3 55.0 48 99 A N H X S+ 0 0 61 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.871 108.4 51.3 -57.5 -39.6 46.5 94.6 54.9 49 100 A I H X S+ 0 0 8 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.954 113.8 41.7 -64.1 -51.9 45.1 91.5 56.6 50 101 A Y H X S+ 0 0 19 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.807 113.6 53.1 -67.7 -33.4 47.6 91.5 59.5 51 102 A T H X S+ 0 0 36 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.874 107.5 50.7 -70.2 -41.1 47.4 95.3 60.0 52 103 A T H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.919 109.0 50.9 -65.7 -40.1 43.6 95.2 60.3 53 104 A Q H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.839 110.9 50.9 -66.1 -29.8 43.7 92.4 62.9 54 105 A H H X S+ 0 0 73 -4,-1.2 4,-2.3 2,-0.2 6,-0.2 0.927 111.4 44.8 -72.1 -46.1 46.2 94.6 64.8 55 106 A R H <>S+ 0 0 89 -4,-2.6 5,-2.4 2,-0.2 6,-1.0 0.906 115.7 50.1 -62.9 -39.2 44.1 97.7 64.7 56 107 A L H ><5S+ 0 0 28 -4,-2.9 3,-2.4 -5,-0.2 -2,-0.2 0.985 111.7 46.4 -59.1 -61.0 41.2 95.5 65.7 57 108 A D H 3<5S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.808 113.6 50.3 -49.5 -38.0 43.1 93.9 68.5 58 109 A Q T 3<5S- 0 0 118 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.346 113.4-117.7 -86.4 4.2 44.3 97.3 69.7 59 110 A G T < 5S+ 0 0 61 -3,-2.4 -3,-0.2 -4,-0.2 -2,-0.1 0.640 79.6 123.9 70.5 15.8 40.8 98.8 69.6 60 111 A E S - 0 0 55 -2,-0.3 4,-2.9 1,-0.1 3,-0.5 -0.581 27.1-112.1 -97.9 164.7 35.5 98.0 65.2 63 114 A A H > S+ 0 0 63 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.914 123.1 50.0 -55.7 -43.5 34.6 94.4 64.7 64 115 A G H > S+ 0 0 45 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.785 110.1 50.1 -65.4 -31.5 32.4 95.5 61.8 65 116 A D H > S+ 0 0 81 -3,-0.5 4,-1.6 2,-0.2 3,-0.2 0.901 111.7 47.2 -70.4 -49.8 35.3 97.6 60.3 66 117 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.854 109.0 57.8 -60.6 -35.3 37.7 94.6 60.5 67 118 A A H X S+ 0 0 10 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.830 107.6 42.5 -65.7 -39.9 35.0 92.4 59.0 68 119 A V H X S+ 0 0 38 -4,-1.1 4,-1.5 -3,-0.2 -1,-0.2 0.791 118.0 46.6 -77.6 -33.2 34.5 94.3 55.7 69 120 A V H X S+ 0 0 23 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.945 116.1 46.3 -72.1 -45.3 38.2 94.8 55.3 70 121 A M H X S+ 0 0 0 -4,-3.0 4,-1.3 59,-0.3 -2,-0.2 0.868 112.7 47.5 -64.7 -41.7 38.8 91.2 56.1 71 122 A T H >X S+ 0 0 5 -4,-2.3 4,-1.0 2,-0.2 3,-0.5 0.953 110.7 52.1 -63.7 -49.3 36.0 89.8 53.8 72 123 A S H >X S+ 0 0 19 -4,-1.5 4,-1.2 1,-0.3 3,-0.6 0.887 110.8 48.6 -52.7 -45.0 37.1 92.0 50.8 73 124 A A H 3X S+ 0 0 3 -4,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.769 102.4 60.4 -70.9 -29.4 40.7 90.7 51.2 74 125 A Q H < S+ 0 0 21 -4,-1.2 3,-0.7 1,-0.2 -2,-0.2 0.886 109.0 56.4 -65.2 -40.5 41.7 88.7 46.7 77 128 A M H 3< S+ 0 0 25 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.857 114.0 34.9 -63.2 -36.4 43.5 85.8 48.4 78 129 A G H 3X S+ 0 0 8 -4,-1.3 4,-2.5 38,-0.2 -1,-0.2 0.354 87.3 99.7-103.6 7.5 41.6 83.0 46.8 79 130 A M H S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.850 114.0 51.2 -60.3 -34.5 43.9 82.6 41.6 81 132 A Y H > S+ 0 0 14 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.904 111.5 49.4 -67.7 -41.0 42.8 79.4 43.4 82 133 A A H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.926 112.1 43.7 -66.3 -50.9 39.3 79.9 42.1 83 134 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.929 111.4 55.8 -62.5 -43.0 40.0 80.6 38.4 84 135 A T H X S+ 0 0 6 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.903 109.4 46.3 -55.1 -44.5 42.5 77.7 38.3 85 136 A D H X S+ 0 0 13 -4,-1.9 4,-3.5 1,-0.2 3,-0.3 0.983 113.5 49.5 -61.1 -52.5 39.9 75.3 39.6 86 137 A A H < S+ 0 0 10 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.750 114.7 42.3 -55.3 -38.1 37.3 76.7 37.1 87 138 A V H < S+ 0 0 34 -4,-2.4 -1,-0.3 -5,-0.1 4,-0.2 0.746 119.8 45.2 -82.8 -26.0 39.6 76.4 34.1 88 139 A L H >X S+ 0 0 2 -4,-1.7 3,-2.0 -3,-0.3 4,-0.7 0.842 91.7 81.3 -84.5 -39.9 40.9 73.0 35.2 89 140 A A G >< S+ 0 0 30 -4,-3.5 3,-0.7 1,-0.3 -1,-0.2 0.747 85.5 59.1 -38.8 -39.8 37.5 71.5 36.0 90 141 A P G 34 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.800 103.1 51.6 -64.7 -30.1 36.7 70.6 32.4 91 142 A H G <4 S+ 0 0 32 -3,-2.0 193,-1.2 -4,-0.2 2,-0.5 0.621 84.9 100.1 -82.4 -16.7 39.7 68.4 31.9 92 143 A I E << +E 283 0A 17 -4,-0.7 191,-0.2 -3,-0.7 3,-0.1 -0.620 51.3 178.4 -78.5 119.4 39.2 66.2 35.0 93 144 A G E - 0 0 18 189,-3.1 2,-0.1 -2,-0.5 191,-0.1 0.081 37.0 -51.6 -96.4-144.0 37.6 63.0 34.1 94 145 A G E S- 0 0 43 189,-0.2 188,-1.8 1,-0.2 -1,-0.2 -0.472 70.5 -67.6 -96.7 167.7 36.7 60.1 36.4 95 146 A E E -E 281 0A 104 186,-0.2 2,-1.1 -2,-0.1 186,-0.3 -0.120 46.1-127.2 -51.1 140.1 38.7 58.2 38.9 96 147 A A - 0 0 4 184,-2.7 184,-0.2 -92,-0.1 -1,-0.1 -0.529 51.2 -84.3 -95.3 70.2 41.5 56.1 37.5 97 148 A G 0 0 75 -2,-1.1 -1,-0.1 1,-0.2 184,-0.1 0.826 360.0 360.0 32.3 45.1 41.0 52.5 38.9 98 149 A S 0 0 82 182,-0.3 -1,-0.2 2,-0.0 -3,-0.0 -0.057 360.0 360.0 -34.1 360.0 42.9 53.9 41.8 99 ! 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 0.0 100 152 A A 0 0 92 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 177.1 47.3 51.8 38.2 101 153 A P - 0 0 94 0, 0.0 -98,-0.0 0, 0.0 0, 0.0 -0.288 360.0 -68.1 -75.5 169.6 50.5 52.9 36.3 102 154 A P - 0 0 115 0, 0.0 -99,-0.2 0, 0.0 -97,-0.0 -0.335 62.4-107.0 -57.5 137.8 52.2 56.1 37.0 103 155 A P - 0 0 32 0, 0.0 -99,-0.2 0, 0.0 3,-0.1 -0.048 15.3-123.1 -59.8 165.9 50.1 59.1 35.9 104 156 A A S S+ 0 0 47 -101,-3.8 2,-0.3 1,-0.3 -100,-0.2 0.779 95.7 16.5 -79.9 -30.6 51.0 61.2 32.9 105 157 A L E -b 4 0A 4 -102,-1.3 -100,-3.0 2,-0.0 2,-0.5 -0.994 59.0-159.4-149.8 138.9 51.1 64.3 35.1 106 158 A T E -bd 5 27A 23 -80,-2.1 -78,-2.6 -2,-0.3 2,-0.6 -0.966 13.8-161.1-114.5 127.2 51.4 65.1 38.7 107 159 A L E -bd 6 28A 0 -102,-2.9 -100,-2.5 -2,-0.5 2,-0.5 -0.967 1.4-162.1-113.8 117.2 50.2 68.6 39.7 108 160 A I E -bd 7 29A 8 -80,-3.4 -78,-4.0 -2,-0.6 2,-0.4 -0.889 10.7-162.7-100.2 124.7 51.5 69.9 43.1 109 161 A F E -bd 8 30A 6 -102,-3.0 -100,-2.5 -2,-0.5 2,-1.4 -0.881 22.9-134.0-110.0 141.3 49.4 72.8 44.3 110 162 A D E S-b 9 0A 5 -80,-2.4 -100,-0.1 -2,-0.4 -102,-0.1 -0.790 84.7 -24.8 -91.5 89.6 50.5 75.2 47.0 111 163 A R S S- 0 0 14 -102,-1.7 -102,-0.2 -2,-1.4 -101,-0.2 0.232 73.7-102.8 84.9 156.8 47.1 75.1 48.8 112 164 A H > - 0 0 12 -104,-0.2 3,-2.2 -3,-0.1 4,-0.5 -0.734 36.2-100.9-111.1 157.4 43.5 74.3 47.7 113 165 A P T 3> S+ 0 0 6 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.750 116.5 67.7 -48.2 -28.3 40.6 76.7 47.1 114 166 A I H 3>>S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-1.9 0.684 84.2 73.3 -71.2 -13.4 39.1 75.9 50.5 115 167 A A H <4>S+ 0 0 2 -3,-2.2 5,-3.0 1,-0.2 -1,-0.2 0.962 111.6 24.6 -63.2 -50.5 42.0 77.6 52.2 116 168 A A H 45S+ 0 0 6 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.698 127.4 50.1 -87.4 -20.3 40.8 81.0 51.3 117 169 A L H <5S- 0 0 9 -4,-1.5 -2,-0.2 -40,-0.1 -3,-0.2 0.766 132.9 -2.2 -90.1 -24.3 37.1 80.0 51.0 118 170 A L T X5S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -3,-0.2 0.686 124.3 49.0-129.7 -57.2 36.7 78.2 54.3 119 171 A C H > S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.952 113.5 46.5 -65.0 -40.5 37.6 82.9 56.8 122 174 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.861 111.6 51.5 -62.8 -41.0 36.7 80.5 59.7 123 175 A A H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.2 0.797 109.0 50.4 -68.1 -30.3 39.9 81.3 61.6 124 176 A R H <>S+ 0 0 3 -4,-1.8 5,-2.7 2,-0.2 6,-0.7 0.754 106.4 53.7 -80.4 -25.9 39.3 85.0 61.3 125 177 A Y H ><5S+ 0 0 50 -4,-1.3 3,-1.9 4,-0.2 -2,-0.2 0.922 106.4 54.1 -68.5 -40.6 35.7 84.6 62.7 126 178 A L T 3<5S+ 0 0 54 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.603 108.8 50.3 -65.3 -12.9 37.4 82.8 65.6 127 179 A M T 3 5S- 0 0 30 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.2 0.376 119.1-110.6-105.4 -0.5 39.6 86.0 65.8 128 180 A G T < 5S+ 0 0 42 -3,-1.9 -3,-0.2 2,-0.2 -61,-0.2 0.623 93.6 99.5 81.8 14.7 36.6 88.4 65.9 129 181 A S S - 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0 0 6 -107,-0.1 3,-1.8 -3,-0.1 4,-0.6 -0.663 35.4 -98.9-107.5 166.1 19.7 84.5 39.0 422 165 B P H >> S+ 0 0 5 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.870 118.1 68.6 -57.3 -31.6 23.0 84.0 40.8 423 166 B I H 3>>S+ 0 0 1 1,-0.2 5,-1.9 2,-0.2 4,-1.1 0.650 88.1 67.1 -63.4 -11.3 24.8 86.1 38.1 424 167 B A H <4>S+ 0 0 4 -3,-1.8 5,-2.3 3,-0.2 3,-0.2 0.962 109.9 33.2 -70.8 -51.7 23.0 89.2 39.4 425 168 B A H <<5S+ 0 0 7 -4,-0.6 -2,-0.2 -3,-0.5 -38,-0.2 0.807 126.6 42.2 -73.7 -31.9 24.8 89.3 42.7 426 169 B L H <5S+ 0 0 12 -4,-1.9 -1,-0.2 -39,-0.1 -2,-0.2 0.505 133.6 2.3 -96.5 -3.5 28.1 87.9 41.3 427 170 B L T X5S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.2 -3,-0.2 0.536 119.9 48.8-142.6 -61.5 28.4 89.8 38.0 428 171 B C H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.929 112.1 49.3 -61.3 -40.0 29.4 94.3 40.8 431 174 B A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.823 112.1 48.4 -66.3 -33.1 30.2 95.2 37.2 432 175 B A H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.885 113.6 47.1 -74.3 -39.3 27.8 98.2 37.5 433 176 B R H <>S+ 0 0 1 -4,-2.5 5,-3.1 2,-0.2 6,-0.7 0.702 110.3 52.0 -72.6 -28.6 29.4 99.2 40.8 434 177 B Y H ><5S+ 0 0 47 -4,-1.9 3,-2.5 4,-0.3 5,-0.3 0.946 110.0 49.8 -66.9 -51.7 32.9 98.8 39.3 435 178 B L H 3<5S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.676 108.6 52.7 -55.7 -27.6 31.6 101.1 36.5 436 179 B M T 3<5S- 0 0 34 -4,-0.7 -1,-0.3 -5,-0.0 -2,-0.2 0.286 120.2-112.9 -88.8 -1.7 30.4 103.5 39.2 437 180 B G T < 5S+ 0 0 41 -3,-2.5 -3,-0.2 2,-0.2 -61,-0.2 0.609 90.3 111.3 78.8 15.0 33.9 103.5 40.7 438 181 B S S - 0 0 57 -2,-0.3 4,-1.9 -64,-0.1 5,-0.1 -0.612 19.8-127.5 -93.4 155.7 37.6 97.1 41.5 441 184 B P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.837 112.1 56.2 -69.4 -30.2 37.7 95.1 38.2 442 185 B Q H > S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.896 106.9 49.5 -67.8 -37.8 39.8 92.4 39.9 443 186 B A H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 110.8 48.9 -67.7 -41.4 37.0 92.0 42.5 444 187 B V H >X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 3,-0.6 0.986 112.7 48.1 -61.3 -51.7 34.4 91.7 39.8 445 188 B L H 3X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 -2,-0.2 0.796 107.9 56.2 -58.6 -29.2 36.6 89.1 38.0 446 189 B A H 3X S+ 0 0 4 -4,-1.6 4,-0.6 2,-0.2 -1,-0.3 0.881 110.1 44.7 -70.6 -38.2 37.0 87.4 41.4 447 190 B F H X< S+ 0 0 4 -4,-2.0 3,-1.8 -3,-0.6 4,-0.4 0.959 111.4 53.2 -69.1 -50.1 33.2 87.1 41.6 448 191 B V H >< S+ 0 0 0 -4,-3.1 3,-2.1 1,-0.3 -2,-0.2 0.921 104.3 55.2 -47.7 -51.3 32.9 86.0 38.0 449 192 B A H 3< S+ 0 0 6 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.766 109.5 49.8 -56.6 -21.9 35.4 83.2 38.7 450 193 B L T << S+ 0 0 18 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.378 75.9 124.0 -98.5 -1.0 33.1 82.1 41.5 451 194 B I S < S- 0 0 2 -3,-2.1 3,-0.1 -4,-0.4 -3,-0.0 -0.421 70.2-111.8 -58.1 133.0 29.9 82.1 39.4 452 195 B P - 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0 0 2 -5,-2.4 2,-0.4 -6,-0.3 -1,-0.2 -0.170 19.7-162.6 -55.9 142.6 32.2 84.6 19.2 511 254 B S > - 0 0 48 1,-0.1 4,-2.0 2,-0.0 5,-0.2 -0.971 9.5-158.0-129.4 112.6 35.6 84.1 20.7 512 255 B W H > S+ 0 0 16 -2,-0.4 4,-1.3 1,-0.2 -1,-0.1 0.844 93.9 53.6 -61.8 -33.0 36.8 86.9 23.0 513 256 B R H 4 S+ 0 0 114 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.891 110.9 45.6 -68.0 -39.5 40.5 85.9 22.6 514 257 B E H 4 S+ 0 0 159 1,-0.2 3,-0.2 -3,-0.2 -1,-0.2 0.813 123.5 37.0 -70.3 -34.5 40.2 86.1 18.7 515 258 B D H >< S+ 0 0 10 -4,-2.0 3,-2.6 1,-0.1 -2,-0.2 0.470 83.6 101.7 -99.4 -3.8 38.3 89.4 19.0 516 259 B W G >< S+ 0 0 28 -4,-1.3 3,-1.3 1,-0.3 -1,-0.1 0.845 78.4 60.0 -48.7 -40.0 40.1 91.0 21.9 517 260 B G G 3 S+ 0 0 77 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.647 89.8 72.0 -66.2 -13.5 42.1 93.2 19.5 518 261 B Q G < 0 0 105 -3,-2.6 -1,-0.3 1,-0.2 11,-0.2 0.250 360.0 360.0 -86.1 11.0 38.8 94.7 18.2 519 262 B L < 0 0 62 -3,-1.3 -1,-0.2 9,-0.1 -2,-0.2 0.876 360.0 360.0 -95.3 360.0 38.3 96.7 21.4 520 ! 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 0.0 521 277 B N 0 0 143 0, 0.0 2,-0.5 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-163.9 19.4 83.0 16.1 522 278 B A - 0 0 85 1,-0.2 -18,-0.1 2,-0.1 0, 0.0 -0.747 360.0 -19.9-116.8 69.6 17.7 86.2 17.4 523 279 B G S S- 0 0 41 -2,-0.5 -1,-0.2 2,-0.0 2,-0.0 -0.304 90.0 -65.5 110.1 163.4 19.9 88.7 15.7 524 280 B P - 0 0 106 0, 0.0 -16,-0.1 0, 0.0 -2,-0.1 -0.266 68.1 -74.2 -77.2 171.3 23.4 88.7 14.1 525 281 B R - 0 0 124 -17,-0.1 -20,-0.1 1,-0.1 2,-0.1 -0.472 56.1-132.7 -68.2 126.5 26.6 88.2 16.1 526 282 B P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.397 23.2 -93.3 -80.3 168.4 27.3 91.3 18.0 527 283 B H > - 0 0 91 1,-0.1 3,-3.8 -2,-0.1 4,-0.2 -0.586 30.3-121.1 -75.9 140.2 30.7 93.1 18.2 528 284 B I G > S+ 0 0 0 1,-0.3 3,-1.7 -2,-0.3 6,-0.4 0.824 116.4 62.7 -53.3 -28.0 32.9 92.1 21.1 529 285 B G G 3 S+ 0 0 23 1,-0.3 -1,-0.3 -11,-0.2 -2,-0.0 0.463 97.5 57.4 -75.1 -1.1 32.7 95.8 22.1 530 286 B D G < S+ 0 0 82 -3,-3.8 -1,-0.3 -32,-0.1 -29,-0.2 0.225 101.1 75.1-108.7 7.9 29.0 95.3 22.6 531 287 B T S X S- 0 0 0 -3,-1.7 3,-1.7 -4,-0.2 4,-0.2 -0.617 97.9 -97.4-117.1 172.4 29.6 92.5 25.1 532 288 B L G > S+ 0 0 0 -34,-0.6 3,-1.6 1,-0.3 4,-0.5 0.711 112.8 76.4 -62.7 -21.5 30.7 92.3 28.8 533 289 B F G > S+ 0 0 0 1,-0.3 3,-0.6 -5,-0.2 -1,-0.3 0.728 82.4 68.8 -62.3 -20.4 34.2 91.6 27.7 534 290 B T G X S+ 0 0 31 -3,-1.7 3,-0.7 -6,-0.4 -1,-0.3 0.671 89.1 62.2 -73.6 -18.2 34.5 95.3 26.8 535 291 B L G < S+ 0 0 8 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.789 92.3 65.7 -78.6 -22.6 34.4 96.3 30.5 536 292 B F G < + 0 0 0 -3,-0.6 -1,-0.2 -4,-0.5 2,-0.2 0.231 64.6 104.3 -90.4 22.1 37.6 94.3 31.3 537 293 B R < + 0 0 118 -3,-0.7 -1,-0.2 3,-0.0 -3,-0.1 -0.105 53.5 145.5 -86.8 32.6 39.9 96.5 29.1 538 294 B A > - 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