==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 11-APR-07 2PHG . COMPND 2 MOLECULE: TRANSCRIPTION INITIATION FACTOR IIB; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.R.A.JONKER,R.W.WECHSELBERGER,R.BOELENS,G.E.FOLKERS, . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 19 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.4 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 0 1 1 1 0 0 0 0 2 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 111 A S 0 0 113 0, 0.0 35,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.5 2.5 23.4 -11.2 2 112 A R > + 0 0 215 3,-0.0 4,-1.2 2,-0.0 3,-0.2 0.572 360.0 43.5-131.0 -50.3 0.9 23.7 -7.8 3 113 A A H > S+ 0 0 12 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.663 101.6 75.5 -76.3 -15.2 0.2 20.3 -6.3 4 114 A M H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.972 103.4 33.3 -59.6 -57.0 3.7 19.2 -7.5 5 115 A M H > S+ 0 0 112 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.836 119.6 54.8 -69.2 -33.2 5.6 21.0 -4.8 6 116 A N H X S+ 0 0 83 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.953 109.2 44.4 -66.1 -51.8 2.8 20.4 -2.3 7 117 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.918 110.8 55.1 -60.1 -45.3 2.6 16.6 -2.7 8 118 A F H X S+ 0 0 41 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.907 109.8 46.7 -55.1 -44.9 6.4 16.3 -2.6 9 119 A K H X S+ 0 0 145 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.912 111.9 50.8 -64.8 -42.8 6.5 18.1 0.8 10 120 A E H X S+ 0 0 90 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.924 113.3 45.4 -60.4 -46.0 3.6 16.0 2.1 11 121 A I H X S+ 0 0 8 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.936 112.7 49.8 -63.3 -48.3 5.4 12.8 1.1 12 122 A T H X S+ 0 0 60 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.877 109.1 53.4 -59.7 -39.0 8.8 13.9 2.5 13 123 A T H X S+ 0 0 79 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.935 115.1 39.4 -62.3 -45.9 7.2 14.9 5.8 14 124 A M H X S+ 0 0 41 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.944 114.9 51.2 -69.9 -49.0 5.6 11.4 6.2 15 125 A A H X>S+ 0 0 2 -4,-3.3 5,-2.9 1,-0.2 4,-0.6 0.860 109.7 51.8 -57.5 -37.5 8.6 9.5 4.9 16 126 A D H <5S+ 0 0 98 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.2 0.886 109.4 49.1 -68.1 -38.8 10.9 11.3 7.3 17 127 A R H <5S+ 0 0 181 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.883 112.0 47.1 -68.9 -39.4 8.7 10.5 10.3 18 128 A I H <5S- 0 0 65 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.594 112.6-123.5 -77.8 -9.3 8.5 6.8 9.4 19 129 A N T <5 + 0 0 145 -4,-0.6 -3,-0.2 -3,-0.3 -2,-0.1 0.914 47.2 174.5 66.8 45.5 12.3 6.9 8.9 20 130 A L < - 0 0 31 -5,-2.9 -1,-0.2 -6,-0.1 5,-0.1 -0.541 28.7-112.7 -83.5 148.4 12.0 5.6 5.4 21 131 A P >> - 0 0 63 0, 0.0 3,-2.1 0, 0.0 4,-0.9 -0.182 33.5 -96.4 -73.8 172.2 15.2 5.4 3.2 22 132 A R H 3>>S+ 0 0 182 1,-0.3 4,-3.0 2,-0.2 5,-0.5 0.760 115.7 81.6 -60.1 -23.6 15.9 7.4 0.0 23 133 A N H 345S+ 0 0 68 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.739 97.6 42.3 -53.7 -25.1 14.5 4.4 -1.9 24 134 A I H <>5S+ 0 0 0 -3,-2.1 4,-3.2 3,-0.1 5,-0.2 0.936 117.6 40.6 -86.0 -59.5 11.1 5.9 -1.1 25 135 A V H X5S+ 0 0 52 -4,-0.9 4,-2.7 1,-0.2 5,-0.2 0.921 116.8 49.2 -56.6 -49.9 11.6 9.6 -1.7 26 136 A D H X5S+ 0 0 64 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.887 116.1 43.7 -59.3 -40.8 13.7 9.2 -4.8 27 137 A R H >X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 3,-1.4 0.952 113.2 46.8 -72.3 -51.1 6.8 8.6 -10.2 32 142 A F H 3X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.3 5,-0.2 0.832 101.9 67.8 -60.7 -32.7 4.9 11.8 -9.2 33 143 A K H 3< S+ 0 0 81 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.792 111.3 33.5 -57.9 -28.0 7.0 13.7 -11.9 34 144 A Q H X4 S+ 0 0 123 -3,-1.4 3,-0.6 -4,-0.5 -2,-0.2 0.804 115.9 53.0 -98.2 -36.4 5.1 11.7 -14.5 35 145 A V H >< S+ 0 0 6 -4,-2.2 3,-0.8 1,-0.2 8,-0.2 0.765 104.3 58.2 -72.7 -23.9 1.7 11.3 -12.9 36 146 A Y T 3< S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.702 100.7 57.9 -77.7 -19.2 1.4 15.0 -12.4 37 147 A E T < S+ 0 0 125 -3,-0.6 2,-0.3 -5,-0.2 -1,-0.3 -0.181 82.3 125.4-103.2 39.6 1.8 15.6 -16.1 38 148 A Q < - 0 0 59 -3,-0.8 -3,-0.1 3,-0.7 5,-0.0 -0.721 59.9-140.4 -99.3 148.2 -1.2 13.4 -17.0 39 149 A K S S+ 0 0 158 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.941 104.7 39.8 -70.9 -48.7 -4.1 14.6 -19.2 40 150 A S S S+ 0 0 102 1,-0.2 2,-1.0 2,-0.1 -1,-0.1 0.920 113.0 59.4 -67.0 -44.7 -6.8 12.9 -17.1 41 151 A L + 0 0 11 1,-0.1 -3,-0.7 -6,-0.1 -1,-0.2 -0.759 54.1 164.3 -93.3 102.1 -5.1 13.8 -13.8 42 152 A K S S- 0 0 169 -2,-1.0 -1,-0.1 -5,-0.1 -6,-0.1 0.114 78.6 -74.4 -99.9 18.8 -4.8 17.5 -13.5 43 153 A G S S+ 0 0 22 -8,-0.2 3,-0.4 2,-0.1 -2,-0.1 0.869 72.2 165.0 89.6 43.1 -4.1 17.2 -9.7 44 154 A R S S+ 0 0 198 1,-0.3 2,-0.5 2,-0.1 -3,-0.0 0.953 76.1 15.5 -54.5 -56.9 -7.7 16.4 -8.6 45 155 A A > - 0 0 12 1,-0.2 4,-2.7 35,-0.1 5,-0.3 -0.908 64.9-171.3-127.5 102.8 -6.6 15.3 -5.1 46 156 A N H > S+ 0 0 18 -2,-0.5 4,-2.4 -3,-0.4 5,-0.2 0.930 90.4 48.2 -54.7 -51.7 -3.0 16.2 -4.1 47 157 A D H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 113.0 49.2 -59.3 -39.8 -3.1 14.0 -1.0 48 158 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.949 112.8 44.2 -67.1 -51.2 -4.5 11.1 -3.0 49 159 A I H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.861 112.8 54.0 -63.4 -35.5 -1.9 11.2 -5.8 50 160 A A H X S+ 0 0 4 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.929 111.3 44.0 -64.0 -45.3 0.9 11.8 -3.2 51 161 A S H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.827 109.1 59.5 -68.9 -32.5 -0.1 8.7 -1.3 52 162 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.958 110.3 39.6 -60.3 -52.4 -0.5 6.7 -4.6 53 163 A C H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.859 113.3 57.3 -66.1 -36.0 3.1 7.3 -5.6 54 164 A L H X S+ 0 0 4 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.908 105.7 49.4 -61.3 -43.7 4.2 6.7 -2.0 55 165 A Y H < S+ 0 0 12 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.899 110.8 49.7 -63.7 -41.4 2.6 3.3 -1.9 56 166 A I H >< S+ 0 0 14 -4,-1.7 3,-0.6 1,-0.2 4,-0.4 0.864 109.0 53.7 -66.2 -34.6 4.3 2.3 -5.2 57 167 A A H 3X S+ 0 0 1 -4,-2.0 4,-0.5 1,-0.2 3,-0.4 0.890 114.7 38.3 -67.8 -40.5 7.6 3.5 -3.8 58 168 A C T 3<>S+ 0 0 0 -4,-1.9 5,-1.5 1,-0.2 4,-0.3 0.343 87.5 104.9 -93.4 7.7 7.4 1.4 -0.7 59 169 A R T <45S+ 0 0 27 -3,-0.6 102,-0.3 -4,-0.3 -1,-0.2 0.891 100.1 8.7 -54.0 -45.6 5.9 -1.5 -2.6 60 170 A Q T 45S+ 0 0 25 -3,-0.4 102,-1.5 -4,-0.4 101,-1.3 0.865 140.7 24.6-102.3 -59.8 9.1 -3.6 -2.6 61 171 A E T <5S+ 0 0 36 -4,-0.5 -1,-0.2 100,-0.2 -2,-0.2 -0.875 121.7 34.9-115.7 99.0 11.6 -1.8 -0.3 62 172 A G T 5S+ 0 0 15 -2,-0.7 -4,-0.2 1,-0.4 -3,-0.1 0.043 75.1 119.7 152.4 -31.0 10.0 0.3 2.3 63 173 A V < - 0 0 2 -5,-1.5 2,-2.0 1,-0.1 -1,-0.4 -0.476 58.3-141.6 -66.4 119.6 6.8 -1.4 3.3 64 174 A P - 0 0 21 0, 0.0 2,-1.6 0, 0.0 5,-0.2 -0.393 62.0 -77.2 -81.2 60.2 6.9 -2.3 7.0 65 175 A R S S+ 0 0 28 -2,-2.0 2,-0.3 94,-1.0 88,-0.1 -0.101 121.2 38.1 74.0 -38.9 5.2 -5.7 6.5 66 176 A T S S- 0 0 3 -2,-1.6 3,-0.5 140,-0.1 140,-0.2 -0.979 71.0-136.3-141.1 152.0 1.9 -3.9 6.2 67 177 A F S > S+ 0 0 0 138,-2.2 3,-1.3 -2,-0.3 139,-0.1 0.687 99.8 75.8 -78.6 -17.3 0.6 -0.6 4.6 68 178 A K G > S+ 0 0 50 137,-0.5 3,-1.4 1,-0.3 -1,-0.2 0.840 84.7 62.2 -62.2 -34.3 -1.4 -0.1 7.7 69 179 A E G 3 S+ 0 0 70 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.707 114.5 34.1 -66.6 -18.9 1.7 1.0 9.7 70 180 A I G X S+ 0 0 2 -3,-1.3 3,-0.7 -4,-0.2 2,-0.5 0.112 81.3 115.2-122.4 21.3 2.1 3.9 7.3 71 181 A C T < + 0 0 14 -3,-1.4 -1,-0.1 1,-0.2 -3,-0.1 -0.061 37.3 116.9 -83.3 37.1 -1.6 4.7 6.6 72 182 A A T 3 S+ 0 0 43 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.898 89.4 22.8 -71.1 -41.2 -1.1 8.0 8.3 73 183 A V S X S+ 0 0 28 -3,-0.7 2,-2.3 1,-0.2 3,-0.8 0.673 104.1 86.4 -97.5 -21.1 -2.0 10.0 5.1 74 184 A S T 3 + 0 0 0 -4,-0.4 -1,-0.2 1,-0.3 -3,-0.1 -0.172 68.7 85.1 -76.1 47.9 -3.9 7.1 3.5 75 185 A R T 3 S+ 0 0 187 -2,-2.3 2,-0.3 -3,-0.1 -1,-0.3 0.146 80.1 63.7-131.6 13.7 -7.1 8.2 5.2 76 186 A I S < S- 0 0 85 -3,-0.8 -1,-0.1 1,-0.1 5,-0.1 -0.996 112.4 -4.4-145.0 133.9 -8.2 10.9 2.8 77 187 A S S >> S+ 0 0 47 -2,-0.3 4,-1.5 1,-0.1 3,-0.5 0.852 72.9 162.7 52.5 40.8 -9.3 10.6 -0.9 78 188 A K H 3> + 0 0 25 1,-0.2 4,-1.7 2,-0.2 143,-0.3 0.748 66.5 63.2 -61.8 -23.9 -8.4 6.9 -0.7 79 189 A K H 3> S+ 0 0 83 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.937 105.5 42.8 -67.1 -45.4 -10.5 6.4 -3.9 80 190 A E H <> S+ 0 0 19 -3,-0.5 4,-2.3 2,-0.2 5,-0.3 0.773 107.1 64.0 -72.0 -26.1 -8.2 8.6 -6.0 81 191 A I H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.969 108.9 37.6 -61.5 -53.1 -5.2 7.0 -4.3 82 192 A G H X S+ 0 0 0 -4,-1.7 4,-1.8 135,-0.2 134,-0.4 0.813 112.3 62.4 -67.8 -28.9 -5.9 3.6 -5.8 83 193 A R H X S+ 0 0 59 -4,-1.4 4,-0.6 1,-0.2 -2,-0.2 0.945 111.5 34.3 -61.0 -51.9 -7.1 5.2 -9.0 84 194 A C H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 5,-0.2 0.783 109.8 68.8 -75.7 -26.7 -3.8 6.8 -9.8 85 195 A F H X S+ 0 0 7 -4,-1.8 4,-2.7 -5,-0.3 3,-0.4 0.938 97.1 49.8 -57.0 -51.7 -1.9 3.8 -8.3 86 196 A K H X S+ 0 0 29 -4,-1.8 4,-1.3 127,-0.5 -1,-0.2 0.801 105.2 60.4 -59.8 -30.2 -3.0 1.4 -11.1 87 197 A L H < S+ 0 0 35 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.926 115.2 31.2 -64.8 -45.4 -1.9 3.9 -13.7 88 198 A I H >X S+ 0 0 9 -4,-1.5 3,-1.6 -3,-0.4 4,-1.1 0.790 109.7 68.5 -84.2 -29.1 1.7 3.9 -12.6 89 199 A L H 3< S+ 0 0 33 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.857 104.6 42.9 -58.6 -37.0 1.7 0.3 -11.4 90 200 A K T 3< S+ 0 0 85 -4,-1.3 -1,-0.3 -5,-0.2 3,-0.2 0.331 103.1 71.1 -92.1 7.1 1.4 -0.9 -15.0 91 201 A A T <4 S+ 0 0 72 -3,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.822 108.5 20.9 -90.4 -35.3 3.9 1.6 -16.2 92 202 A L < + 0 0 84 -4,-1.1 2,-0.4 -3,-0.2 -1,-0.3 -0.947 65.8 177.8-141.9 116.9 7.0 -0.0 -14.7 93 203 A E - 0 0 74 -2,-0.4 -3,-0.0 -3,-0.2 -4,-0.0 -0.908 32.5-135.8-116.6 146.1 7.4 -3.6 -13.6 94 204 A T - 0 0 69 -2,-0.4 -1,-0.1 1,-0.1 78,-0.0 0.688 34.6-137.2 -70.7 -18.8 10.6 -5.2 -12.1 95 205 A S + 0 0 79 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 0.828 61.7 134.3 64.2 34.7 9.9 -8.2 -14.4 96 206 A V > + 0 0 34 1,-0.2 2,-2.4 2,-0.1 3,-0.8 0.611 42.7 93.7 -87.2 -12.4 10.8 -10.6 -11.5 97 207 A D T 3 + 0 0 25 1,-0.2 -1,-0.2 74,-0.1 74,-0.1 -0.397 59.8 89.8 -79.6 63.1 7.7 -12.7 -12.3 98 208 A L T 3 S+ 0 0 146 -2,-2.4 -1,-0.2 72,-0.4 73,-0.1 0.302 88.0 33.8-137.7 1.8 9.7 -15.1 -14.6 99 209 A I < + 0 0 95 -3,-0.8 72,-0.2 71,-0.7 71,-0.2 0.573 50.4 152.9-120.4 -85.5 10.9 -17.8 -12.2 100 210 A T + 0 0 14 70,-1.8 41,-0.2 69,-0.3 42,-0.2 0.911 53.8 96.4 47.7 54.5 8.7 -18.8 -9.2 101 211 A T + 0 0 83 68,-0.3 3,-0.4 40,-0.1 -1,-0.1 0.481 65.0 62.2-143.2 -15.6 10.1 -22.3 -9.0 102 212 A G S > S+ 0 0 37 67,-0.3 3,-1.0 1,-0.2 4,-0.4 0.374 74.7 91.4 -99.7 6.9 12.9 -22.4 -6.4 103 213 A D T 3 + 0 0 1 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.508 58.0 95.9 -78.1 -1.3 10.7 -21.5 -3.4 104 214 A F T 3 S+ 0 0 156 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.703 82.9 52.9 -61.2 -19.2 10.1 -25.2 -2.9 105 215 A M S < S+ 0 0 131 -3,-1.0 2,-2.0 1,-0.1 -1,-0.2 0.925 72.9 171.9 -80.2 -49.4 13.0 -25.0 -0.3 106 216 A S >> + 0 0 21 -4,-0.4 3,-0.9 1,-0.2 4,-0.5 -0.029 56.6 90.0 66.9 -34.8 11.4 -22.1 1.7 107 217 A R G >4 S+ 0 0 149 -2,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.896 81.5 55.1 -58.4 -42.6 14.1 -22.4 4.4 108 218 A F G >4 S+ 0 0 57 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.741 96.8 66.6 -64.3 -21.8 16.4 -20.0 2.6 109 219 A C G <4 S+ 0 0 22 -3,-0.9 3,-0.4 1,-0.3 -1,-0.3 0.724 99.9 50.5 -72.3 -19.5 13.6 -17.4 2.7 110 220 A S G > - 0 0 61 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.264 19.1-119.2 -62.4 148.9 12.2 -18.0 13.1 116 226 A K H 3> S+ 0 0 143 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.630 106.7 80.9 -64.0 -12.7 10.9 -21.4 11.8 117 227 A Q H 3> S+ 0 0 135 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.881 94.0 46.4 -60.2 -36.4 7.7 -20.5 13.6 118 228 A V H <> S+ 0 0 2 -3,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.851 108.7 56.7 -73.2 -34.5 6.8 -18.3 10.6 119 229 A Q H X S+ 0 0 5 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.950 109.3 43.3 -61.1 -52.8 7.9 -21.2 8.2 120 230 A M H X S+ 0 0 77 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.858 116.0 49.3 -62.7 -37.6 5.4 -23.7 9.7 121 231 A A H X S+ 0 0 14 -4,-1.5 4,-2.0 -5,-0.3 3,-0.3 0.916 107.9 53.9 -68.8 -42.7 2.7 -21.0 9.8 122 232 A A H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.898 104.9 53.4 -59.3 -44.1 3.2 -20.0 6.2 123 233 A T H X S+ 0 0 77 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.840 108.9 50.3 -62.5 -32.6 2.9 -23.5 4.9 124 234 A H H X S+ 0 0 64 -4,-1.1 4,-1.8 -3,-0.3 -1,-0.2 0.888 111.7 47.2 -72.7 -38.8 -0.5 -23.8 6.7 125 235 A I H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.937 114.1 47.3 -66.0 -47.1 -1.7 -20.5 5.2 126 236 A A H X S+ 0 0 8 -4,-2.9 4,-3.4 1,-0.2 5,-0.3 0.902 108.8 55.0 -61.4 -43.5 -0.5 -21.5 1.7 127 237 A R H X S+ 0 0 145 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.926 107.9 48.3 -57.2 -48.0 -2.1 -25.0 2.0 128 238 A K H X S+ 0 0 59 -4,-1.8 4,-0.7 61,-0.3 -1,-0.2 0.882 117.3 42.7 -61.5 -39.0 -5.5 -23.6 2.8 129 239 A A H X>S+ 0 0 1 -4,-1.8 5,-2.0 60,-0.2 4,-0.9 0.899 117.2 45.3 -74.8 -42.5 -5.3 -21.1 -0.1 130 240 A V H <5S+ 0 0 47 -4,-3.4 3,-0.3 2,-0.2 -2,-0.2 0.916 111.6 50.8 -69.1 -44.1 -3.8 -23.6 -2.6 131 241 A E H <5S+ 0 0 131 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.747 116.0 43.4 -66.9 -22.7 -6.2 -26.4 -1.8 132 242 A L H <5S- 0 0 104 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.620 102.6-137.5 -93.7 -16.2 -9.1 -23.9 -2.3 133 243 A D T <5 + 0 0 107 -4,-0.9 -3,-0.2 -3,-0.3 -4,-0.1 0.907 43.1 160.4 57.8 46.2 -7.5 -22.5 -5.4 134 244 A L < + 0 0 49 -5,-2.0 -4,-0.1 1,-0.3 -1,-0.1 0.816 68.9 36.4 -66.7 -32.5 -8.4 -19.0 -4.2 135 245 A V > + 0 0 10 -6,-0.3 3,-0.5 47,-0.1 -1,-0.3 -0.820 59.3 164.1-128.9 92.0 -5.8 -17.4 -6.6 136 246 A P T 3 + 0 0 92 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 -0.034 51.2 102.6 -93.7 30.1 -5.4 -19.2 -9.9 137 247 A G T 3 S- 0 0 43 40,-0.1 41,-0.1 2,-0.1 40,-0.0 0.493 97.9 -4.1 -91.2 -4.1 -3.6 -16.2 -11.5 138 248 A R S < S- 0 0 116 -3,-0.5 36,-0.0 39,-0.1 3,-0.0 0.050 102.5 -59.7-145.1-101.7 -0.2 -17.9 -11.2 139 249 A S > - 0 0 59 -4,-0.1 4,-0.9 1,-0.0 3,-0.3 -0.958 41.8-100.3-155.4 166.6 0.8 -21.2 -9.6 140 250 A P H > S+ 0 0 80 0, 0.0 4,-0.9 0, 0.0 -10,-0.1 0.760 119.3 61.5 -64.6 -23.1 0.6 -23.0 -6.2 141 251 A I H >> S+ 0 0 24 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.896 97.5 55.2 -70.0 -41.2 4.3 -22.1 -5.8 142 252 A S H 3> S+ 0 0 0 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.826 102.9 57.3 -61.9 -32.0 3.6 -18.4 -5.8 143 253 A V H 3X S+ 0 0 6 -4,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.828 101.6 56.8 -69.2 -31.4 1.1 -18.8 -3.0 144 254 A A H <>S+ 0 0 2 -4,-1.9 5,-3.0 2,-0.2 3,-1.0 0.914 109.5 52.8 -64.2 -42.5 5.5 -12.8 8.9 153 263 A Q H ><5S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.943 109.9 46.5 -57.7 -50.8 2.9 -10.0 9.0 154 264 A A T 3<5S+ 0 0 0 -4,-2.4 44,-1.7 1,-0.3 43,-0.6 0.528 109.9 56.6 -72.3 -5.5 0.6 -11.8 11.4 155 265 A S T < 5S- 0 0 33 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.166 118.8-108.3-109.7 14.9 3.7 -12.6 13.6 156 266 A A T < 5S+ 0 0 48 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.809 71.3 146.0 62.4 32.5 4.6 -8.9 13.9 157 267 A E < - 0 0 56 -5,-3.0 2,-1.5 -6,-0.1 -1,-0.2 -0.894 42.7-148.5-104.0 112.5 7.6 -9.3 11.6 158 268 A K + 0 0 114 -2,-0.7 2,-0.3 -3,-0.1 -93,-0.1 -0.622 35.9 157.0 -83.8 88.2 8.3 -6.3 9.5 159 269 A R - 0 0 49 -2,-1.5 -94,-1.0 -10,-0.2 2,-0.2 -0.732 31.7-132.9-109.2 160.3 9.7 -7.8 6.3 160 270 A T > - 0 0 30 -2,-0.3 4,-0.6 -96,-0.1 3,-0.4 -0.654 19.6-120.3-109.4 167.6 9.8 -6.3 2.8 161 271 A Q H > S+ 0 0 3 -101,-1.3 4,-2.5 -102,-0.3 5,-0.2 0.715 103.9 77.4 -77.2 -20.2 9.0 -7.8 -0.6 162 272 A K H >>S+ 0 0 92 -102,-1.5 4,-3.4 1,-0.2 5,-0.7 0.883 88.4 56.4 -55.6 -43.7 12.5 -7.2 -1.7 163 273 A E H 4>S+ 0 0 24 -3,-0.4 5,-3.0 -103,-0.2 6,-0.3 0.916 112.9 39.4 -56.3 -47.1 13.7 -10.2 0.2 164 274 A I H <5S+ 0 0 13 -4,-0.6 6,-1.8 3,-0.2 7,-0.4 0.827 119.2 48.6 -74.9 -30.8 11.3 -12.6 -1.6 165 275 A G H <5S+ 0 0 7 -4,-2.5 -2,-0.2 4,-0.2 -3,-0.2 0.950 130.9 10.8 -75.1 -49.5 11.8 -10.9 -4.9 166 276 A D T <5S+ 0 0 118 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.1 0.925 133.2 39.2 -95.0 -62.7 15.6 -10.7 -5.1 167 277 A I T - 0 0 0 -7,-0.4 4,-0.7 -72,-0.2 -74,-0.1 -0.625 30.4-156.3-179.2 112.7 8.8 -13.2 -7.9 172 282 A D H >> S+ 0 0 2 1,-0.2 3,-1.6 2,-0.2 4,-0.8 0.970 99.5 44.2 -59.5 -57.7 8.1 -9.9 -6.2 173 283 A V H 3> S+ 0 0 26 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.714 101.0 72.9 -63.5 -18.2 4.9 -9.0 -8.1 174 284 A T H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.838 91.7 56.4 -65.6 -30.7 3.8 -12.6 -7.6 175 285 A I H X S+ 0 0 59 -4,-2.0 3,-0.6 1,-0.2 4,-0.5 0.887 114.1 41.8 -67.5 -40.4 -0.9 -11.3 -7.3 178 288 A S H 3< S+ 0 0 1 -4,-2.3 2,-1.6 1,-0.3 4,-0.4 0.930 111.6 55.4 -71.8 -45.4 -1.4 -14.0 -4.7 179 289 A Y T 3< S+ 0 0 19 -4,-3.0 -1,-0.3 -5,-0.2 27,-0.2 -0.248 95.8 81.5 -82.2 48.6 -2.4 -11.4 -2.0 180 290 A R T <4 S+ 0 0 64 -2,-1.6 3,-0.4 -3,-0.6 -1,-0.2 0.674 108.1 0.6-114.1 -79.2 -5.1 -10.1 -4.4 181 291 A L S < S+ 0 0 104 -4,-0.5 -2,-0.1 1,-0.2 -3,-0.1 0.058 101.3 104.3-103.9 23.5 -8.3 -12.0 -4.4 182 292 A I S S+ 0 0 8 -4,-0.4 -1,-0.2 1,-0.1 -3,-0.1 0.684 75.2 59.5 -77.2 -18.6 -7.1 -14.5 -1.8 183 293 A Y - 0 0 52 -3,-0.4 -1,-0.1 1,-0.1 6,-0.0 -0.955 62.0-167.1-117.2 122.4 -9.2 -12.8 0.8 184 294 A P S S- 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.841 86.0 -37.0 -72.6 -36.3 -13.0 -12.7 0.4 185 295 A R S S+ 0 0 122 1,-0.7 45,-0.1 42,-0.0 -2,-0.1 0.298 131.0 21.7-158.4 -32.1 -13.5 -10.1 3.2 186 296 A A S S- 0 0 30 16,-0.1 2,-3.0 18,-0.0 -1,-0.7 -0.893 96.6 -81.3-140.6 165.9 -10.9 -11.1 5.9 187 297 A P + 0 0 20 0, 0.0 2,-1.8 0, 0.0 3,-0.5 -0.341 56.5 165.2 -69.7 65.0 -7.7 -13.1 6.0 188 298 A D + 0 0 70 -2,-3.0 -5,-0.0 1,-0.2 0, 0.0 -0.181 41.4 107.2 -78.3 46.7 -9.6 -16.4 6.2 189 299 A L + 0 0 5 -2,-1.8 -61,-0.3 -60,-0.0 -1,-0.2 0.224 48.3 105.8-107.4 10.7 -6.4 -18.2 5.4 190 300 A F - 0 0 43 -3,-0.5 -65,-0.1 1,-0.2 -69,-0.0 -0.836 48.3-171.1 -97.3 120.7 -6.0 -19.6 8.9 191 301 A P - 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -66,-0.0 0.993 58.6 -74.3 -71.2 -70.1 -6.8 -23.3 9.3 192 302 A T S S+ 0 0 133 0, 0.0 -2,-0.1 0, 0.0 -68,-0.0 0.272 122.2 68.4-162.3 -38.1 -6.7 -23.9 13.1 193 303 A D S S+ 0 0 78 1,-0.1 2,-1.1 2,-0.1 3,-0.1 0.694 78.4 93.5 -69.2 -21.2 -3.1 -23.8 14.2 194 304 A F + 0 0 25 1,-0.2 -1,-0.1 -73,-0.1 -4,-0.1 -0.649 48.8 176.5 -79.8 100.2 -2.9 -20.1 13.4 195 305 A K - 0 0 186 -2,-1.1 -1,-0.2 -5,-0.0 -2,-0.1 0.604 45.5-119.6 -77.7 -12.7 -3.7 -18.5 16.7 196 306 A F - 0 0 43 -3,-0.1 -41,-0.1 3,-0.0 -2,-0.0 0.934 22.3-155.8 70.0 95.3 -3.0 -15.1 15.1 197 307 A D S S+ 0 0 104 -43,-0.6 -42,-0.2 1,-0.2 -43,-0.1 0.956 84.5 56.8 -64.0 -53.2 -0.2 -13.3 17.0 198 308 A T S > S- 0 0 16 -44,-1.7 2,-1.5 1,-0.1 3,-0.5 -0.733 73.1-163.2 -84.8 105.1 -1.3 -9.8 15.9 199 309 A P T 3 + 0 0 104 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.401 50.2 121.0 -87.9 60.7 -4.9 -9.4 17.1 200 310 A V T 3 - 0 0 66 -2,-1.5 2,-2.5 1,-0.2 -2,-0.0 0.718 45.0-170.3 -91.8 -24.1 -5.8 -6.4 14.9 201 311 A D S < S+ 0 0 75 -3,-0.5 2,-1.4 1,-0.1 -1,-0.2 -0.435 70.5 70.4 68.5 -74.3 -8.7 -8.2 13.1 202 312 A K + 0 0 61 -2,-2.5 -1,-0.1 -3,-0.1 -16,-0.1 -0.603 62.4 157.8 -76.0 94.0 -9.1 -5.5 10.5 203 313 A L + 0 0 18 -2,-1.4 2,-0.3 24,-0.1 3,-0.2 -0.712 8.7 162.0-123.2 77.1 -5.9 -6.0 8.5 204 314 A P + 0 0 10 0, 0.0 -136,-0.1 0, 0.0 -137,-0.1 -0.788 52.8 32.2 -98.7 144.6 -6.4 -4.6 5.0 205 315 A Q 0 0 6 -2,-0.3 -138,-2.2 1,-0.2 -137,-0.5 0.982 360.0 360.0 75.9 70.8 -3.6 -3.7 2.5 206 316 A L 0 0 10 -140,-0.2 -1,-0.2 -27,-0.2 -140,-0.1 -0.379 360.0 360.0 72.6 360.0 -0.9 -6.3 3.3 207 !* 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 0.0 208 465 B Y >> 0 0 237 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -31.1 -7.8 -1.4 -22.5 209 466 B G G >4 + 0 0 40 1,-0.3 3,-1.4 2,-0.2 -119,-0.1 0.900 360.0 54.4 -59.8 -41.3 -4.8 -0.9 -20.2 210 467 B A G 34 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.0 -123,-0.0 0.641 95.6 69.4 -69.0 -13.9 -5.8 2.7 -19.5 211 468 B L G <4 S+ 0 0 131 -3,-1.1 2,-1.0 1,-0.1 3,-0.5 0.750 80.3 87.6 -73.9 -23.9 -9.3 1.5 -18.5 212 469 B D << + 0 0 41 -3,-1.4 -1,-0.1 -4,-0.6 -3,-0.0 -0.671 51.3 105.2 -81.2 101.2 -7.7 -0.1 -15.4 213 470 B M S > S+ 0 0 34 -2,-1.0 3,-0.9 -127,-0.1 -127,-0.5 0.450 72.7 49.1-140.3 -50.1 -7.7 2.6 -12.7 214 471 B A T 3> S+ 0 0 32 -3,-0.5 4,-1.1 1,-0.2 3,-0.4 0.543 86.8 90.4 -77.4 -6.3 -10.4 1.9 -10.1 215 472 B D T 34 S+ 0 0 58 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.841 95.6 37.5 -59.6 -32.9 -9.2 -1.7 -9.8 216 473 B F T X4 S+ 0 0 3 -3,-0.9 3,-0.8 -134,-0.4 -1,-0.3 0.557 98.2 81.6 -94.5 -9.4 -6.8 -0.5 -7.0 217 474 B E G >>>S+ 0 0 7 -3,-0.4 4,-3.4 -135,-0.3 3,-1.6 0.909 91.8 50.5 -60.4 -40.4 -9.4 2.0 -5.6 218 475 B F G 3<5S+ 0 0 98 -4,-1.1 -1,-0.3 1,-0.3 5,-0.2 0.661 107.1 55.9 -71.5 -15.3 -11.0 -0.9 -3.8 219 476 B E G <45S+ 0 0 14 -3,-0.8 -1,-0.3 3,-0.2 -2,-0.2 0.251 119.1 31.0 -99.3 9.7 -7.6 -1.8 -2.5 220 477 B Q T <45S+ 0 0 0 -3,-1.6 4,-0.4 -141,-0.0 -2,-0.2 0.580 135.7 17.0-129.9 -47.8 -7.1 1.6 -1.0 221 478 B M T >X5S+ 0 0 62 -4,-3.4 4,-2.3 -143,-0.3 3,-0.7 0.903 128.3 44.6 -94.7 -56.3 -10.5 3.0 -0.0 222 479 B F H 3>XS+ 0 0 82 -5,-0.9 4,-3.1 1,-0.2 5,-0.6 0.767 102.2 71.6 -61.2 -26.8 -12.8 -0.1 0.1 223 480 B T H 3>5S+ 0 0 14 -6,-0.3 4,-0.8 -5,-0.2 -1,-0.2 0.929 112.8 24.9 -55.7 -48.8 -10.1 -1.9 2.0 224 481 B D H <>5S+ 0 0 22 -3,-0.7 4,-1.3 -4,-0.4 -2,-0.2 0.806 121.3 57.9 -87.2 -31.2 -10.6 0.1 5.1 225 482 B A H <5S+ 0 0 46 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.929 118.1 31.3 -64.4 -46.5 -14.2 1.0 4.4 226 483 B L H >X5S+ 0 0 94 -4,-3.1 3,-1.2 1,-0.2 4,-0.9 0.772 111.7 67.0 -82.2 -26.9 -15.3 -2.6 4.1 227 484 B G H 3<