==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 16-NOV-11 3UOB . COMPND 2 MOLECULE: 5'-D(*CP*AP*GP*CP*TP*CP*TP*GP*TP*AP*CP*GP*TP*GP*A . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.ZHANG,C.HE . 353 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 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 . 16 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 1 0 2 0 2 0 0 2 0 0 0 0 0 0 3 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 123 A T 0 0 102 0, 0.0 72,-0.1 0, 0.0 71,-0.1 0.000 360.0 360.0 360.0 -37.1 38.1 -70.6 1.7 2 124 A L - 0 0 4 70,-0.8 67,-0.1 67,-0.1 26,-0.1 -0.948 360.0-141.3-114.2 106.9 35.5 -70.0 4.5 3 125 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 24,-0.0 0.129 16.4-101.7 -70.2-178.7 34.5 -73.3 6.3 4 126 A D - 0 0 56 2,-0.1 64,-0.2 64,-0.1 62,-0.0 -0.788 14.9-158.0-102.7 149.0 31.1 -74.5 7.5 5 127 A I + 0 0 32 62,-1.8 2,-0.3 -2,-0.3 63,-0.1 -0.226 41.8 145.4-121.7 47.0 30.0 -74.3 11.1 6 128 A L + 0 0 27 60,-0.2 2,-0.3 61,-0.1 -2,-0.1 -0.639 21.0 173.8 -84.7 138.7 27.3 -77.0 10.9 7 129 A T > - 0 0 62 -2,-0.3 3,-0.7 93,-0.1 2,-0.1 -0.861 40.9 -89.7-123.6 171.2 26.3 -79.6 13.6 8 130 A F T 3 S+ 0 0 139 -2,-0.3 93,-0.1 1,-0.2 92,-0.1 -0.467 106.5 25.8 -75.6 151.1 23.3 -82.2 13.7 9 131 A N T 3 S+ 0 0 117 91,-0.9 -1,-0.2 1,-0.2 2,-0.2 0.689 80.4 164.2 62.6 33.8 20.0 -81.0 15.2 10 132 A L < - 0 0 3 -3,-0.7 93,-2.1 90,-0.4 -1,-0.2 -0.472 34.3-152.4 -68.7 140.3 20.5 -77.3 14.5 11 133 A D S S+ 0 0 29 53,-0.9 93,-2.3 91,-0.2 2,-0.4 0.921 80.4 20.9 -74.2 -47.4 17.5 -75.1 14.7 12 134 A I E -ab 65 104A 3 52,-2.0 54,-2.2 91,-0.2 2,-0.4 -0.953 58.1-170.9-127.9 140.6 18.8 -72.5 12.2 13 135 A V E -ab 66 105A 2 91,-1.7 93,-3.0 -2,-0.4 2,-0.5 -0.994 18.4-144.5-129.7 125.0 21.4 -72.6 9.5 14 136 A I E -ab 67 106A 6 52,-2.3 54,-2.6 -2,-0.4 2,-0.5 -0.823 10.3-158.2 -99.7 128.4 22.4 -69.4 7.8 15 137 A I E -ab 68 107A 0 91,-3.1 93,-2.5 -2,-0.5 2,-0.3 -0.867 7.6-168.7-113.8 128.4 23.2 -69.4 4.2 16 138 A G E -a 69 0A 1 52,-1.3 54,-1.4 -2,-0.5 55,-0.5 -0.822 30.2-122.7-116.0 146.0 25.3 -66.8 2.6 17 139 A I S S- 0 0 23 91,-0.5 54,-1.0 -2,-0.3 -1,-0.1 0.976 80.8 -47.4 -49.4 -60.7 25.9 -66.1 -1.0 18 140 A N - 0 0 17 52,-0.2 2,-0.4 54,-0.1 -1,-0.2 -0.888 68.2 -80.1-162.2 176.9 29.6 -66.4 -0.7 19 141 A P - 0 0 3 0, 0.0 56,-1.0 0, 0.0 58,-0.1 -0.744 44.6-129.3 -90.3 139.3 32.4 -65.1 1.6 20 142 A G > - 0 0 24 -2,-0.4 4,-2.8 54,-0.2 57,-0.2 -0.316 28.9-100.5 -73.5 173.2 33.6 -61.6 1.1 21 143 A L H > S+ 0 0 28 55,-0.6 4,-2.5 1,-0.2 5,-0.3 0.908 126.4 52.2 -58.0 -43.2 37.2 -60.6 0.7 22 144 A M H > S+ 0 0 60 54,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.884 111.1 46.9 -61.7 -36.4 37.1 -59.5 4.3 23 145 A A H > S+ 0 0 7 2,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.877 109.5 53.9 -74.4 -38.5 35.6 -62.8 5.4 24 146 A A H < S+ 0 0 32 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.966 116.7 37.4 -58.0 -52.8 38.1 -64.7 3.4 25 147 A Y H < S+ 0 0 95 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.975 120.7 44.5 -59.5 -55.0 41.0 -62.9 5.0 26 148 A K H < S- 0 0 86 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.844 95.0-146.1 -68.4 -28.1 39.6 -62.7 8.4 27 149 A G < + 0 0 28 -4,-2.6 2,-0.3 1,-0.3 -3,-0.1 0.379 60.0 103.5 84.4 -2.1 38.4 -66.3 8.3 28 150 A H S S- 0 0 44 -6,-0.2 2,-0.3 -5,-0.1 -1,-0.3 -0.773 78.4 -96.4-127.6 152.6 35.3 -65.8 10.3 29 151 A H S S- 0 0 1 24,-0.4 26,-0.1 -2,-0.3 27,-0.1 -0.555 94.5 -3.2 -82.7 123.2 31.7 -65.6 9.4 30 152 A Y S S+ 0 0 23 -2,-0.3 23,-0.3 1,-0.1 -1,-0.3 0.956 73.8 158.6 58.1 68.5 30.3 -62.2 8.9 31 153 A P + 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 -0.657 33.4 73.0 -97.7 173.4 32.9 -59.5 9.8 32 154 A G S S- 0 0 40 -2,-0.2 2,-0.1 1,-0.1 4,-0.0 -0.640 75.5-108.2 165.5-115.4 32.6 -56.0 8.5 33 155 A P S S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 118,-0.1 0.927 107.7 71.6 -60.2 154.9 30.7 -53.7 9.3 34 156 A G S S+ 0 0 40 116,-0.2 118,-1.5 -2,-0.1 2,-0.3 -0.203 81.4 102.1 -90.1 95.9 28.7 -53.3 7.0 35 157 A N B -E 151 0B 38 116,-0.2 3,-0.4 117,-0.1 4,-0.4 -0.865 45.0-174.9-135.9 116.1 27.3 -56.6 8.3 36 158 A H >> + 0 0 19 114,-1.7 4,-3.1 -2,-0.3 3,-1.0 0.678 61.7 98.9 -71.6 -22.0 24.3 -56.2 10.3 37 159 A F H 3> S+ 0 0 2 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.814 84.4 40.1 -42.2 -49.4 24.3 -59.9 11.0 38 160 A W H 3> S+ 0 0 16 -3,-0.4 4,-1.3 -8,-0.2 13,-0.5 0.822 117.8 46.6 -73.4 -34.1 25.9 -59.7 14.4 39 161 A K H <> S+ 0 0 103 -3,-1.0 4,-2.5 -4,-0.4 -2,-0.2 0.952 112.0 51.0 -71.6 -42.8 24.1 -56.8 15.6 40 162 A C H X S+ 0 0 0 -4,-3.1 4,-3.5 1,-0.3 6,-0.3 0.861 105.4 56.6 -62.5 -42.6 20.7 -58.0 14.4 41 163 A L H X>S+ 0 0 2 -4,-2.0 6,-1.6 -5,-0.3 4,-1.0 0.923 113.0 39.7 -55.6 -48.9 21.2 -61.3 16.1 42 164 A F H <5S+ 0 0 78 -4,-1.3 -2,-0.2 4,-0.2 -1,-0.2 0.870 117.5 49.9 -68.6 -35.9 21.7 -59.6 19.4 43 165 A M H <5S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.895 108.1 52.7 -69.8 -42.7 19.0 -57.1 18.7 44 166 A S H <5S- 0 0 8 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.753 115.4-114.3 -66.3 -25.9 16.5 -59.7 17.6 45 167 A G T <5S+ 0 0 36 -4,-1.0 -3,-0.2 2,-0.3 -4,-0.1 0.305 84.2 123.4 107.2 -7.5 17.0 -61.5 20.8 46 168 A L S - 0 0 69 -2,-0.2 3,-3.2 -13,-0.0 -23,-0.1 -0.845 44.5 -61.7-161.3-177.1 30.8 -61.1 16.7 53 175 A H G > S+ 0 0 26 1,-0.3 3,-1.9 -23,-0.3 -24,-0.4 0.749 119.3 68.1 -61.9 -22.6 32.5 -63.1 14.2 54 176 A M G 3 S+ 0 0 78 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.692 100.6 50.9 -67.7 -16.2 35.0 -64.4 16.7 55 177 A D G X S+ 0 0 49 -3,-3.2 3,-1.8 1,-0.2 4,-0.5 0.244 75.5 111.5-101.0 13.7 32.2 -66.2 18.3 56 178 A D G X S+ 0 0 4 -3,-1.9 3,-0.7 1,-0.3 -1,-0.2 0.813 75.4 52.6 -65.6 -29.4 31.0 -67.9 15.1 57 179 A H G 3 S+ 0 0 109 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.598 101.3 60.9 -79.2 -10.1 32.0 -71.3 16.2 58 180 A T G < S+ 0 0 58 -3,-1.8 5,-0.4 1,-0.1 4,-0.3 0.592 84.0 85.8 -86.9 -6.8 30.1 -71.1 19.4 59 181 A L S X>>S+ 0 0 0 -3,-0.7 4,-2.3 -4,-0.5 3,-1.2 0.929 76.4 59.2 -76.0 -50.0 26.8 -70.6 17.8 60 182 A P T 345S+ 0 0 16 0, 0.0 -50,-0.1 0, 0.0 6,-0.0 -0.711 116.5 26.2 -64.8 127.3 25.7 -74.2 17.1 61 183 A G T 345S+ 0 0 76 -2,-0.5 -2,-0.2 -54,-0.1 -3,-0.1 0.312 126.4 44.7 102.1 -11.1 25.6 -75.6 20.6 62 184 A K T <45S+ 0 0 145 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.502 142.3 3.3-115.0 -33.3 25.1 -72.5 22.5 63 185 A Y T <5S- 0 0 45 -4,-2.3 -51,-0.1 -5,-0.4 -52,-0.1 0.386 92.9-122.3-127.3 -11.3 22.4 -71.2 20.2 64 186 A G < + 0 0 11 -5,-1.1 -52,-2.0 -6,-0.2 -53,-0.9 0.953 65.6 133.8 57.7 47.4 22.0 -74.0 17.7 65 187 A I E -a 12 0A 5 -6,-0.8 2,-0.3 -54,-0.2 -52,-0.2 -1.000 33.9-170.2-125.9 123.2 22.7 -71.8 14.8 66 188 A G E -a 13 0A 0 -54,-2.2 -52,-2.3 -2,-0.4 2,-0.3 -0.861 12.2-135.9-112.6 155.2 25.1 -73.0 12.1 67 189 A F E +a 14 0A 0 -2,-0.3 -62,-1.8 -54,-0.2 2,-0.3 -0.831 29.4 151.8-104.9 149.7 26.7 -71.1 9.3 68 190 A T E -a 15 0A 1 -54,-2.6 -52,-1.3 -2,-0.3 2,-0.4 -0.957 27.0-134.3-162.4 179.4 27.1 -72.1 5.7 69 191 A N E -a 16 0A 9 -2,-0.3 -52,-0.2 -54,-0.3 -54,-0.1 -0.934 15.6-138.0-149.6 117.4 27.4 -70.5 2.2 70 192 A M S S+ 0 0 2 -54,-1.4 2,-0.4 -2,-0.4 23,-0.2 0.700 100.7 28.7 -36.3 -40.7 25.9 -71.2 -1.1 71 193 A V - 0 0 14 -54,-1.0 -1,-0.1 -55,-0.5 15,-0.1 -0.994 66.7-159.3-133.8 121.8 29.3 -70.7 -2.9 72 194 A E + 0 0 110 -2,-0.4 -70,-0.8 -54,-0.2 2,-0.1 0.675 63.6 92.0 -78.3 -21.9 32.6 -71.3 -1.1 73 195 A R S S- 0 0 91 -72,-0.1 2,-0.5 1,-0.1 -2,-0.1 -0.369 77.0-113.7 -74.4 154.5 34.9 -69.1 -3.3 74 196 A T + 0 0 20 -56,-0.1 -54,-0.2 -2,-0.1 -1,-0.1 -0.766 39.4 160.7 -95.2 130.7 35.7 -65.6 -2.5 75 197 A T - 0 0 0 -56,-1.0 -54,-0.1 -2,-0.5 -51,-0.1 -0.928 51.0-107.5-132.2 169.9 34.6 -62.8 -4.6 76 198 A P S S- 0 0 31 0, 0.0 -55,-0.6 0, 0.0 -54,-0.3 0.554 90.5 -98.9 -40.8 -27.0 34.2 -59.0 -3.9 77 199 A G - 0 0 10 -57,-0.2 2,-0.1 -56,-0.1 -56,-0.0 0.429 65.8 -5.2 -76.3-134.6 31.4 -60.1 -4.0 78 200 A S S > S+ 0 0 51 -2,-0.2 3,-1.4 -3,-0.1 -58,-0.0 -0.829 95.1 60.0-136.3 -17.1 28.8 -60.6 -5.5 79 201 A K T 3 S+ 0 0 168 1,-0.3 -1,-0.0 -2,-0.1 0, 0.0 0.593 101.0 67.8 -63.8 -17.8 27.8 -59.3 -8.9 80 202 A D T 3 S+ 0 0 52 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.419 70.5 107.2 -89.0 -5.9 30.8 -61.2 -10.2 81 203 A L S < S- 0 0 13 -3,-1.4 5,-0.0 1,-0.1 -6,-0.0 -0.667 72.4-122.8 -72.2 130.0 29.5 -64.8 -9.6 82 204 A S > - 0 0 63 -2,-0.4 4,-0.8 1,-0.1 -1,-0.1 -0.125 17.2-114.7 -66.2 168.1 28.5 -66.5 -12.8 83 205 A S H > S+ 0 0 81 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.807 119.1 46.8 -71.7 -28.5 25.0 -67.8 -13.4 84 206 A K H > S+ 0 0 144 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.715 98.6 72.6 -81.3 -22.5 26.3 -71.3 -13.5 85 207 A E H 4 S+ 0 0 43 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.913 101.5 41.1 -61.0 -42.8 28.4 -70.8 -10.5 86 208 A F H >X S+ 0 0 17 -4,-0.8 4,-3.4 1,-0.2 3,-1.7 0.810 106.0 64.8 -72.7 -33.1 25.5 -70.8 -8.2 87 209 A R H 3X S+ 0 0 112 -4,-0.6 4,-1.0 1,-0.3 -2,-0.2 0.922 108.0 39.3 -62.6 -39.3 23.7 -73.6 -9.9 88 210 A E H 3< S+ 0 0 87 -4,-1.7 -1,-0.3 2,-0.2 4,-0.3 0.217 117.0 57.1 -84.3 6.9 26.5 -76.1 -9.0 89 211 A G H <> S+ 0 0 7 -3,-1.7 4,-1.6 2,-0.1 -2,-0.2 0.768 102.0 48.0-110.6 -57.6 26.6 -74.4 -5.7 90 212 A G H X S+ 0 0 4 -4,-3.4 4,-2.3 2,-0.2 -2,-0.2 0.825 104.2 63.4 -53.5 -33.4 23.1 -74.8 -4.6 91 213 A R H X S+ 0 0 133 -4,-1.0 4,-1.6 -5,-0.3 -1,-0.2 0.965 105.1 45.6 -60.7 -47.3 23.2 -78.4 -5.5 92 214 A I H > S+ 0 0 49 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.860 108.3 60.1 -61.2 -33.8 25.8 -79.1 -3.0 93 215 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.954 100.1 52.9 -60.0 -48.3 23.9 -77.0 -0.6 94 216 A V H X S+ 0 0 16 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.932 106.8 53.0 -53.0 -47.5 20.9 -79.2 -0.8 95 217 A Q H X S+ 0 0 107 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.905 107.7 51.5 -59.1 -42.4 23.0 -82.2 0.1 96 218 A K H X S+ 0 0 44 -4,-2.0 4,-2.0 2,-0.2 5,-0.3 0.957 111.3 46.6 -53.8 -55.6 24.3 -80.5 3.1 97 219 A L H X S+ 0 0 4 -4,-2.3 4,-3.5 2,-0.2 3,-0.2 0.952 110.7 54.0 -53.0 -50.6 20.8 -79.7 4.3 98 220 A Q H < S+ 0 0 64 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.936 112.3 43.3 -48.1 -55.8 19.7 -83.2 3.6 99 221 A K H < S+ 0 0 132 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.830 123.2 35.8 -57.4 -38.2 22.5 -84.6 5.7 100 222 A Y H < S- 0 0 53 -4,-2.0 -91,-0.9 -3,-0.2 -90,-0.4 0.709 82.5-157.7-101.8 -23.0 22.1 -82.1 8.6 101 223 A Q < - 0 0 110 -4,-3.5 -92,-0.2 -5,-0.3 2,-0.2 0.894 14.3-175.5 44.0 64.9 18.4 -81.5 8.8 102 224 A P - 0 0 1 0, 0.0 -91,-0.2 0, 0.0 3,-0.1 -0.531 33.7-119.8 -76.1 152.9 18.3 -78.2 10.5 103 225 A R S S+ 0 0 64 -93,-2.1 40,-2.0 1,-0.2 2,-0.4 0.955 93.1 19.1 -57.1 -47.5 14.8 -77.1 11.3 104 226 A I E -bc 12 143A 0 -93,-2.3 -91,-1.7 38,-0.2 2,-0.5 -0.976 61.9-150.2-133.7 133.5 15.1 -73.9 9.2 105 227 A A E -bc 13 144A 0 38,-2.1 40,-2.4 -2,-0.4 2,-0.6 -0.862 18.2-156.9 -97.6 125.1 17.3 -72.8 6.4 106 228 A V E -bc 14 145A 0 -93,-3.0 -91,-3.1 -2,-0.5 2,-0.9 -0.923 3.3-153.7-106.8 115.2 17.8 -69.0 6.5 107 229 A F E -bc 15 146A 0 38,-2.8 2,-2.1 -2,-0.6 40,-2.0 -0.790 4.6-150.5 -94.6 113.0 18.7 -67.6 3.2 108 230 A N E S+ c 0 147A 1 -93,-2.5 -91,-0.5 -2,-0.9 42,-0.2 -0.495 71.9 22.0 -83.7 80.9 20.6 -64.4 3.6 109 231 A G >> - 0 0 2 -2,-2.1 4,-1.1 38,-1.7 3,-0.5 -0.066 69.2-124.4 134.0 129.2 19.6 -62.7 0.5 110 232 A K H 3> S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.829 106.8 64.3 -62.1 -32.3 16.9 -62.8 -1.9 111 233 A C H 3> S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 5,-0.3 0.913 101.0 53.9 -59.7 -38.0 19.3 -63.3 -4.9 112 234 A I H X> S+ 0 0 0 -3,-0.5 4,-2.1 1,-0.2 3,-0.6 0.988 114.5 37.4 -52.3 -74.7 20.3 -66.6 -3.4 113 235 A Y H 3X S+ 0 0 2 -4,-1.1 4,-2.8 1,-0.2 5,-0.3 0.785 107.6 65.7 -50.9 -36.5 16.8 -68.0 -3.1 114 236 A E H 3X S+ 0 0 93 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.973 112.2 34.0 -58.6 -48.4 15.7 -66.5 -6.3 115 237 A I H S+ 0 0 2 -4,-2.1 4,-2.7 -5,-0.3 5,-0.8 0.922 105.7 44.0 -62.9 -45.0 17.6 -71.5 -5.7 117 239 A S H X>S+ 0 0 5 -4,-2.8 5,-2.7 1,-0.2 6,-1.6 0.970 112.9 53.3 -66.0 -49.2 13.9 -71.9 -6.4 118 240 A K H <5S+ 0 0 93 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.889 122.4 27.4 -47.2 -47.8 14.4 -71.7 -10.1 119 241 A E H <5S+ 0 0 94 -4,-2.4 -2,-0.2 3,-0.1 -3,-0.2 0.938 127.8 36.1 -97.6 -42.3 17.0 -74.4 -10.1 120 242 A V H <5S+ 0 0 48 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.970 135.3 22.4 -74.4 -46.5 16.2 -76.7 -7.1 121 243 A F T < - 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0 0 20 1,-0.1 3,-0.5 -3,-0.1 0, 0.0 -0.691 64.8-124.4-115.6 163.4 44.3 -51.6 6.7 260 200 B S G > S+ 0 0 67 -2,-0.2 3,-0.9 1,-0.2 -1,-0.1 0.885 105.4 72.8 -63.6 -46.8 47.5 -49.9 7.9 261 201 B K G 3 S+ 0 0 193 1,-0.3 -1,-0.2 -3,-0.0 0, 0.0 0.625 83.7 72.7 -41.8 -23.4 46.3 -50.1 11.5 262 202 B D G < S+ 0 0 55 -3,-0.5 2,-0.5 2,-0.1 -1,-0.3 0.036 82.7 96.3 -79.1 16.5 46.9 -53.9 11.3 263 203 B L < - 0 0 22 -3,-0.9 2,-0.1 -6,-0.0 5,-0.0 -0.942 65.1-139.8-132.0 120.0 50.7 -53.5 11.4 264 204 B S >> - 0 0 48 -2,-0.5 3,-1.6 1,-0.1 4,-0.9 -0.457 28.9-123.3 -61.5 143.4 53.3 -53.6 14.0 265 205 B S H 3> S+ 0 0 44 1,-0.3 4,-2.3 2,-0.2 3,-0.5 0.801 111.4 68.3 -57.1 -28.6 56.0 -51.0 13.6 266 206 B K H 3> S+ 0 0 127 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.823 95.3 53.4 -63.0 -31.2 58.4 -53.8 13.6 267 207 B E H <> S+ 0 0 54 -3,-1.6 4,-0.6 1,-0.2 -1,-0.3 0.779 110.2 48.2 -76.7 -25.1 57.0 -54.9 10.2 268 208 B F H X S+ 0 0 23 -4,-0.9 4,-2.9 -3,-0.5 -2,-0.2 0.835 107.6 54.5 -73.2 -41.9 57.6 -51.5 9.0 269 209 B R H X S+ 0 0 124 -4,-2.3 4,-1.4 1,-0.3 -2,-0.2 0.964 116.0 37.7 -62.9 -47.2 61.1 -51.4 10.3 270 210 B E H X S+ 0 0 131 -4,-2.4 4,-1.5 1,-0.2 -1,-0.3 0.836 113.8 61.9 -65.7 -29.6 61.9 -54.5 8.5 271 211 B G H X S+ 0 0 5 -4,-0.6 4,-1.4 -5,-0.2 -2,-0.2 0.894 101.0 51.0 -62.5 -42.6 59.7 -53.1 5.8 272 212 B G H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.893 105.1 52.3 -65.0 -43.8 61.9 -50.2 5.3 273 213 B R H X S+ 0 0 112 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.921 109.8 49.8 -59.5 -44.0 65.2 -51.9 4.9 274 214 B I H X S+ 0 0 86 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.859 109.8 51.5 -61.7 -40.9 63.9 -54.2 2.2 275 215 B L H X S+ 0 0 4 -4,-1.4 4,-2.0 -23,-0.2 3,-0.5 0.953 106.4 52.5 -63.4 -47.6 62.5 -51.4 0.3 276 216 B V H X S+ 0 0 7 -4,-2.1 4,-2.9 1,-0.3 5,-0.3 0.904 104.5 58.4 -57.6 -41.5 65.6 -49.4 0.3 277 217 B Q H X S+ 0 0 113 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.879 106.0 46.7 -54.6 -47.5 67.5 -52.4 -1.1 278 218 B K H X S+ 0 0 43 -4,-1.4 4,-4.1 -3,-0.5 5,-0.4 0.894 111.1 52.0 -68.2 -37.2 65.3 -52.7 -4.1 279 219 B L H X S+ 0 0 7 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.947 110.2 49.6 -60.8 -46.6 65.6 -49.0 -4.8 280 220 B Q H < S+ 0 0 68 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.874 117.2 43.2 -54.2 -42.9 69.3 -49.2 -4.5 281 221 B K H < S+ 0 0 108 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.953 121.2 34.4 -74.0 -51.1 69.1 -52.1 -6.9 282 222 B Y H < S- 0 0 58 -4,-4.1 -90,-0.3 -5,-0.1 -3,-0.2 0.866 86.8-157.1 -78.1 -34.2 66.6 -50.9 -9.5 283 223 B Q < - 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0 0 2 -40,-2.2 3,-0.1 -2,-0.6 -2,-0.0 -0.759 36.3 -88.6-128.3 162.2 52.1 -36.8 -3.5 330 270 B P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -39,-0.1 -0.147 56.9 -74.3 -72.2 176.4 48.7 -37.1 -2.0 331 271 B S - 0 0 47 1,-0.1 -40,-0.1 2,-0.0 3,-0.0 -0.063 23.8-138.6 -73.7 162.0 46.8 -40.3 -1.9 332 272 B S S S+ 0 0 1 -42,-0.3 -114,-2.1 1,-0.1 -113,-0.3 0.431 103.8 60.0 -89.7 -8.3 45.1 -41.9 -4.8 333 273 B S 0 0 80 -116,-0.2 -1,-0.1 -115,-0.1 -2,-0.0 0.508 360.0 360.0 -98.3 -11.1 42.1 -42.7 -2.6 334 274 B A 0 0 102 -3,-0.0 -2,-0.0 2,-0.0 -117,-0.0 0.658 360.0 360.0 31.6 360.0 41.4 -39.0 -1.7 335 ! 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 0.0 336 285 B K > 0 0 78 0, 0.0 4,-1.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -53.3 46.1 -33.4 -6.9 337 286 B V H > + 0 0 49 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.834 360.0 64.3 -56.2 -26.7 46.1 -33.8 -10.6 338 287 B H H > S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.968 97.7 51.4 -62.2 -47.4 48.4 -30.8 -10.5 339 288 B Y H > S+ 0 0 70 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.857 104.3 58.5 -62.2 -32.3 51.1 -32.8 -8.6 340 289 B Y H X S+ 0 0 5 -4,-1.5 4,-2.2 1,-0.2 -1,-0.3 0.958 107.6 46.2 -61.0 -44.5 50.9 -35.4 -11.2 341 290 B I H X S+ 0 0 62 -4,-1.8 4,-2.6 -3,-0.3 -2,-0.2 0.914 109.9 54.2 -64.1 -39.5 51.7 -32.9 -13.8 342 291 B K H X S+ 0 0 93 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.953 108.6 49.3 -55.4 -46.9 54.5 -31.6 -11.6 343 292 B L H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.872 108.0 53.4 -63.3 -37.1 55.9 -35.1 -11.4 344 293 B K H X S+ 0 0 57 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.960 111.4 46.5 -59.1 -47.0 55.7 -35.5 -15.0 345 294 B D H X S+ 0 0 58 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.923 108.6 53.3 -63.1 -42.8 57.7 -32.3 -15.5 346 295 B L H X S+ 0 0 24 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.931 109.0 51.2 -60.9 -38.9 60.2 -33.2 -12.9 347 296 B R H X S+ 0 0 38 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.3 0.942 107.9 52.1 -62.3 -42.8 60.7 -36.3 -14.8 348 297 B D H X S+ 0 0 59 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.888 109.0 50.6 -61.7 -38.0 61.1 -34.4 -18.0 349 298 B Q H X S+ 0 0 133 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.955 109.3 50.0 -62.9 -47.5 63.7 -32.2 -16.4 350 299 B L H X S+ 0 0 44 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.944 113.1 46.4 -59.5 -43.8 65.7 -35.2 -15.2 351 300 B K H X S+ 0 0 99 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.937 111.9 54.3 -57.5 -48.7 65.6 -36.7 -18.6 352 301 B G H < S+ 0 0 33 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.833 99.3 57.3 -58.4 -44.2 66.6 -33.5 -20.1 353 302 B I H < S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.907 109.3 45.2 -57.7 -44.6 69.7 -32.7 -18.1 354 303 B E H < 0 0 143 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.847 360.0 360.0 -65.0 -42.2 71.5 -35.9 -19.1 355 304 B R < 0 0 236 -4,-1.3 -1,-0.2 -3,-0.0 -2,-0.1 0.561 360.0 360.0 -38.9 360.0 70.7 -35.8 -22.8