==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/RECEPTOR 10-APR-99 1QA2 . COMPND 2 MOLECULE: TAILSPIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE P22; . AUTHOR U.BAXA,S.STEINBACHER,A.WEINTRAUB,R.HUBER,R.SECKLER . 542 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 170 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 61 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 1 0 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 14 4 2 5 2 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 3 0 0 0 3 2 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 . 2 0 1 1 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 1 113 A Y > 0 0 174 0, 0.0 4,-3.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -44.1 48.8 45.9 41.2 2 114 A S H > + 0 0 77 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.873 360.0 51.3 -48.4 -44.6 50.3 43.9 44.1 3 115 A I H > S+ 0 0 119 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.905 115.2 42.5 -58.8 -45.2 53.7 44.0 42.3 4 116 A E H >> S+ 0 0 100 -3,-0.3 4,-1.2 2,-0.2 3,-0.8 0.920 113.8 49.8 -68.2 -48.8 53.4 47.8 41.9 5 117 A A H >X S+ 0 0 14 -4,-3.4 4,-1.5 1,-0.2 3,-0.8 0.917 106.4 57.7 -57.6 -44.5 52.1 48.4 45.4 6 118 A D H 3< S+ 0 0 91 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.750 112.4 41.2 -58.2 -26.7 54.9 46.3 46.9 7 119 A K H << S+ 0 0 181 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.593 116.9 44.3 -99.4 -12.2 57.4 48.6 45.3 8 120 A K H << S+ 0 0 109 -4,-1.2 2,-0.3 -3,-0.8 -2,-0.2 0.531 96.2 77.5-112.8 -5.3 55.8 52.0 45.9 9 121 A F S < S- 0 0 111 -4,-1.5 2,-0.3 -5,-0.1 0, 0.0 -0.831 77.3-113.1-112.1 149.2 54.7 52.0 49.5 10 122 A K - 0 0 163 -2,-0.3 2,-0.4 1,-0.1 -2,-0.1 -0.560 35.3-124.9 -74.1 132.3 56.5 52.3 52.8 11 123 A Y + 0 0 103 -2,-0.3 20,-1.8 -5,-0.1 2,-0.3 -0.674 44.7 145.2 -86.0 131.9 56.5 49.2 54.9 12 124 A S E -a 31 0A 69 -2,-0.4 2,-0.3 18,-0.2 20,-0.2 -0.937 29.3-155.5-162.8 137.3 55.2 49.3 58.4 13 125 A V E -a 32 0A 22 18,-1.5 20,-2.9 -2,-0.3 2,-0.4 -0.835 16.3-143.6-112.3 155.2 53.2 46.9 60.7 14 126 A K E > -a 33 0A 85 -2,-0.3 3,-2.0 18,-0.2 20,-0.2 -0.968 16.3-129.0-126.3 140.9 51.1 48.1 63.6 15 127 A L G > S+ 0 0 0 18,-2.5 3,-2.3 -2,-0.4 19,-0.1 0.769 101.8 73.4 -55.1 -30.8 50.5 46.5 67.0 16 128 A S G 3 S+ 0 0 55 1,-0.3 -1,-0.3 17,-0.3 18,-0.1 0.733 93.4 57.2 -59.7 -19.7 46.8 46.7 66.6 17 129 A D G < S+ 0 0 92 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.456 103.8 62.1 -88.7 -4.3 47.0 43.9 64.1 18 130 A Y < - 0 0 60 -3,-2.3 3,-0.1 -4,-0.1 4,-0.0 -0.875 66.8-142.8-127.9 156.3 48.8 41.5 66.5 19 131 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.860 89.5 26.9 -79.8 -38.8 48.1 39.8 69.8 20 132 A T S > S- 0 0 51 1,-0.1 4,-1.5 18,-0.0 5,-0.1 -0.830 75.6-121.6-124.3 162.8 51.6 40.1 71.1 21 133 A L H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.839 113.0 58.1 -69.4 -35.3 54.5 42.4 70.6 22 134 A Q H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.902 103.3 53.1 -62.1 -40.7 56.8 39.5 69.4 23 135 A D H > S+ 0 0 72 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.941 111.4 45.0 -60.2 -45.6 54.3 38.8 66.7 24 136 A A H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.914 112.8 52.3 -61.7 -44.6 54.4 42.4 65.4 25 137 A A H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.881 107.7 51.4 -58.8 -42.7 58.2 42.3 65.8 26 138 A S H < S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.835 112.3 46.1 -65.3 -33.2 58.4 39.1 63.7 27 139 A A H < S+ 0 0 41 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.708 90.3 110.3 -81.3 -22.8 56.3 40.7 60.9 28 140 A A < + 0 0 2 -4,-1.5 4,-0.1 -5,-0.1 -16,-0.0 -0.217 30.5 164.2 -60.1 142.2 58.2 44.0 60.9 29 141 A V S S- 0 0 94 2,-0.5 23,-0.2 22,-0.1 -1,-0.1 0.653 78.1 -18.3-123.3 -44.9 60.4 44.9 57.9 30 142 A D S S+ 0 0 47 1,-0.5 24,-2.4 24,-0.1 2,-0.2 0.503 124.6 30.5-133.6 -68.6 61.1 48.6 58.2 31 143 A G E -ab 12 54A 8 -20,-1.8 -18,-1.5 22,-0.2 -2,-0.5 -0.655 52.2-168.9-103.1 159.7 58.6 50.4 60.4 32 144 A L E -ab 13 55A 2 22,-2.1 24,-2.5 -2,-0.2 2,-0.5 -0.948 10.2-159.6-144.7 118.0 56.7 49.3 63.5 33 145 A L E -ab 14 56A 38 -20,-2.9 -18,-2.5 -2,-0.4 2,-1.1 -0.905 9.9-151.8-105.4 124.9 53.9 51.5 64.9 34 146 A I E + b 0 57A 1 22,-2.9 24,-2.7 -2,-0.5 25,-0.2 -0.814 32.7 157.8 -94.3 96.8 52.8 51.1 68.5 35 147 A D + 0 0 55 -2,-1.1 2,-0.3 22,-0.1 -1,-0.2 0.292 53.7 46.9-107.6 8.9 49.2 52.2 68.0 36 148 A R S S- 0 0 79 -3,-0.1 23,-0.2 24,-0.1 22,-0.1 -0.992 92.3 -94.1-148.3 146.9 47.5 50.6 71.0 37 149 A D - 0 0 82 -2,-0.3 2,-0.5 21,-0.1 24,-0.2 -0.342 40.5-155.7 -59.2 140.5 48.3 50.4 74.6 38 150 A Y E -c 61 0A 14 22,-3.0 24,-2.9 -4,-0.1 2,-0.6 -0.975 7.8-152.2-128.7 119.8 50.2 47.2 75.4 39 151 A N E -c 62 0A 113 -2,-0.5 2,-0.3 22,-0.2 24,-0.2 -0.799 22.5-170.7 -88.9 121.0 50.2 45.5 78.8 40 152 A F - 0 0 13 22,-2.4 2,-0.3 -2,-0.6 24,-0.2 -0.768 18.7-126.7-112.0 157.4 53.4 43.6 79.3 41 153 A Y > - 0 0 160 -2,-0.3 3,-2.4 22,-0.1 2,-0.1 -0.754 43.2 -88.3 -98.4 150.2 54.5 41.2 82.0 42 154 A G T 3 S+ 0 0 48 -2,-0.3 25,-0.2 1,-0.3 23,-0.1 -0.358 116.8 21.3 -57.8 125.4 57.8 41.7 83.8 43 155 A G T 3 S+ 0 0 35 23,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.364 80.6 156.5 97.5 -5.5 60.5 39.9 81.9 44 156 A E E < -d 67 0A 15 -3,-2.4 24,-3.0 22,-0.5 2,-0.4 -0.392 27.7-157.6 -58.5 121.8 58.6 39.9 78.6 45 157 A T E -d 68 0A 67 22,-0.2 2,-0.5 -2,-0.2 24,-0.2 -0.904 11.2-162.0-113.1 131.5 61.4 39.6 75.9 46 158 A V E -d 69 0A 0 22,-3.2 24,-2.7 -2,-0.4 2,-0.6 -0.933 5.8-155.0-114.3 129.8 61.1 40.6 72.3 47 159 A D E -d 70 0A 56 -2,-0.5 24,-0.2 22,-0.2 25,-0.1 -0.913 5.0-169.9-105.0 114.8 63.6 39.4 69.7 48 160 A F > - 0 0 1 22,-2.3 3,-2.1 -2,-0.6 25,-0.2 0.273 35.5-125.5 -90.0 12.3 63.8 41.8 66.7 49 161 A G T 3 - 0 0 54 1,-0.3 23,-0.2 21,-0.1 22,-0.1 0.664 60.0 -67.6 55.2 24.2 65.8 39.4 64.5 50 162 A G T 3 S+ 0 0 46 21,-3.0 -1,-0.3 1,-0.2 22,-0.2 0.560 91.3 153.4 75.4 9.0 68.7 41.8 63.9 51 163 A K < - 0 0 57 -3,-2.1 22,-3.0 20,-0.5 2,-1.1 -0.436 50.2-127.9 -75.5 143.3 66.4 44.0 61.8 52 164 A V + 0 0 82 -23,-0.2 2,-0.3 20,-0.2 22,-0.1 -0.792 46.1 176.9 -90.5 97.7 67.1 47.7 61.5 53 165 A L - 0 0 0 -2,-1.1 24,-1.9 20,-0.2 2,-0.6 -0.744 35.5-143.3-110.7 153.4 63.7 49.0 62.5 54 166 A T E -be 31 77A 58 -24,-2.4 -22,-2.1 -2,-0.3 2,-0.7 -0.944 23.5-162.3-111.8 106.5 62.1 52.4 63.1 55 167 A I E -be 32 78A 2 22,-3.3 24,-3.0 -2,-0.6 2,-0.6 -0.832 4.6-168.6 -97.5 116.1 59.7 52.1 66.0 56 168 A E E -be 33 79A 100 -24,-2.5 -22,-2.9 -2,-0.7 2,-0.5 -0.903 8.0-155.0-105.6 118.6 57.1 54.8 66.3 57 169 A C E +b 34 0A 14 22,-2.9 -22,-0.1 -2,-0.6 -24,-0.1 -0.831 31.3 154.6-101.9 126.7 55.2 54.9 69.5 58 170 A K + 0 0 152 -24,-2.7 2,-0.3 -2,-0.5 -1,-0.1 0.070 69.8 40.4-129.8 18.9 51.7 56.5 69.7 59 171 A A S S- 0 0 17 -25,-0.2 23,-0.5 -23,-0.2 2,-0.2 -0.879 87.5 -85.8-152.5 179.8 50.5 54.5 72.7 60 172 A K - 0 0 68 -2,-0.3 -22,-3.0 21,-0.1 2,-0.6 -0.648 12.4-141.4-102.5 156.5 51.8 53.2 76.1 61 173 A F E -cf 38 83A 1 21,-2.5 23,-1.9 -2,-0.2 2,-0.5 -0.974 33.4-164.0-109.4 113.2 53.7 50.1 77.3 62 174 A I E +cf 39 84A 26 -24,-2.9 -22,-2.4 -2,-0.6 2,-0.2 -0.905 31.7 91.4-110.7 127.4 52.0 49.4 80.6 63 175 A G - 0 0 2 21,-2.5 2,-0.4 -2,-0.5 -22,-0.1 -0.811 64.4-104.7 164.1 155.8 53.4 47.1 83.3 64 176 A D S S+ 0 0 45 -24,-0.2 84,-0.2 -2,-0.2 -22,-0.2 -0.799 88.9 23.0 -93.4 143.8 55.5 46.9 86.5 65 177 A G E S- g 0 148A 25 82,-2.8 84,-2.5 -2,-0.4 2,-0.4 -0.561 102.9 -29.3 100.4-167.5 58.9 45.4 85.7 66 178 A N E - g 0 149A 38 -2,-0.2 -23,-2.9 82,-0.2 2,-0.6 -0.769 31.0-162.6-105.4 137.1 61.0 45.1 82.6 67 179 A L E -dg 44 150A 0 82,-2.6 84,-2.8 -2,-0.4 2,-0.5 -0.972 28.7-150.1-108.0 115.1 60.0 44.9 78.9 68 180 A I E -dg 45 151A 10 -24,-3.0 -22,-3.2 -2,-0.6 2,-0.5 -0.830 14.0-166.9-102.6 122.3 63.2 43.6 77.2 69 181 A F E +dg 46 152A 2 82,-2.9 84,-2.5 -2,-0.5 2,-0.3 -0.910 18.4 174.4-103.4 124.6 64.1 44.5 73.6 70 182 A T E +dg 47 153A 20 -24,-2.7 -22,-2.3 -2,-0.5 -20,-0.2 -0.897 49.3 21.9-130.0 163.5 66.9 42.4 72.1 71 183 A K + 0 0 123 82,-0.6 -21,-3.0 -2,-0.3 -20,-0.5 0.857 67.0 162.3 50.1 47.4 68.6 41.9 68.8 72 184 A L - 0 0 9 -22,-0.2 84,-0.5 -3,-0.2 -20,-0.2 -0.785 41.8-112.1 -90.3 139.0 67.7 45.3 67.3 73 185 A G > - 0 0 8 -22,-3.0 3,-1.9 -2,-0.4 -20,-0.2 -0.349 37.9 -85.3 -73.5 155.2 69.9 46.0 64.3 74 186 A K T 3 S+ 0 0 159 1,-0.3 83,-0.2 -24,-0.2 84,-0.2 -0.370 118.6 33.7 -59.2 127.5 72.5 48.8 64.3 75 187 A G T 3 S+ 0 0 46 82,-2.6 -1,-0.3 1,-0.3 83,-0.2 0.400 82.4 144.9 105.1 -2.6 70.7 52.0 63.3 76 188 A S < - 0 0 2 -3,-1.9 83,-2.0 80,-0.3 2,-0.4 -0.399 30.6-160.1 -69.9 147.7 67.4 51.2 64.9 77 189 A R E -eh 54 159A 79 -24,-1.9 -22,-3.3 81,-0.2 2,-0.5 -0.995 11.6-164.5-132.9 138.5 65.4 54.1 66.4 78 190 A I E -eh 55 160A 0 81,-2.5 83,-3.3 -2,-0.4 2,-0.4 -0.990 17.7-171.4-121.9 120.2 62.6 54.1 69.0 79 191 A A E +eh 56 161A 10 -24,-3.0 -22,-2.9 -2,-0.5 83,-0.2 -0.957 57.0 1.4-122.9 136.5 60.6 57.3 69.2 80 192 A G S S+ 0 0 28 81,-2.6 82,-0.1 -2,-0.4 83,-0.1 0.583 73.6 172.0 75.4 13.8 58.0 58.5 71.6 81 193 A V - 0 0 0 80,-0.5 83,-3.0 -26,-0.1 2,-0.4 -0.237 14.6-162.1 -57.8 138.9 57.9 55.5 73.9 82 194 A F E - i 0 164A 55 -23,-0.5 -21,-2.5 81,-0.2 2,-0.4 -0.958 2.5-165.5-130.0 112.1 55.8 55.9 77.1 83 195 A M E +fi 61 165A 0 81,-2.0 83,-2.3 -2,-0.4 2,-0.3 -0.805 11.3 174.0 -98.4 136.1 56.4 53.6 80.0 84 196 A E E -fi 62 166A 26 -23,-1.9 -21,-2.5 -2,-0.4 83,-0.2 -0.986 25.6-128.4-145.3 132.3 53.8 53.4 82.8 85 197 A S - 0 0 0 81,-1.3 -21,-0.2 -2,-0.3 63,-0.1 -0.249 8.5-141.5 -70.7 160.0 53.5 51.1 85.9 86 198 A T S S+ 0 0 81 -24,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.731 85.4 74.8 -90.4 -28.9 50.3 49.3 86.7 87 199 A T - 0 0 55 29,-0.0 -2,-0.1 60,-0.0 -24,-0.1 -0.613 69.7-150.9 -85.2 141.0 50.9 49.9 90.4 88 200 A T - 0 0 61 -2,-0.3 28,-0.1 26,-0.0 2,-0.0 -0.934 29.7-161.8-106.8 104.5 50.3 53.3 92.0 89 201 A P - 0 0 2 0, 0.0 26,-2.2 0, 0.0 2,-0.5 -0.263 24.5 -92.7 -86.4 175.5 52.8 53.4 94.9 90 202 A W E -G 114 0B 72 50,-0.3 2,-0.3 24,-0.2 24,-0.3 -0.742 48.2-172.4 -84.0 126.2 53.1 55.4 98.1 91 203 A V E -G 113 0B 0 22,-3.4 22,-1.5 -2,-0.5 2,-0.3 -0.930 17.0-143.5-124.4 149.5 55.3 58.4 97.5 92 204 A I B -H 120 0C 0 28,-2.6 28,-1.9 -2,-0.3 20,-0.1 -0.778 5.0-157.8-104.6 154.6 56.9 61.1 99.8 93 205 A K - 0 0 46 15,-0.4 2,-1.8 -2,-0.3 26,-0.1 -0.774 4.1-167.3-136.2 85.4 57.3 64.7 98.7 94 206 A P + 0 0 0 0, 0.0 8,-2.4 0, 0.0 2,-0.3 -0.106 59.8 74.3 -69.4 39.9 60.0 66.4 100.9 95 207 A W B S-I 101 0D 21 -2,-1.8 6,-0.2 6,-0.3 2,-0.1 -0.987 71.1-121.3-149.6 157.6 59.3 70.0 99.9 96 208 A T > - 0 0 37 4,-2.6 3,-2.2 -2,-0.3 6,-0.0 -0.350 35.0 -97.6 -94.6 177.1 56.6 72.7 100.6 97 209 A D T 3 S+ 0 0 164 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.625 129.2 51.8 -66.2 -15.5 54.2 74.8 98.5 98 210 A D T 3 S- 0 0 128 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.192 123.3-110.6-102.1 8.7 56.8 77.5 98.7 99 211 A N < + 0 0 64 -3,-2.2 2,-0.4 1,-0.2 -2,-0.1 0.855 68.0 148.4 63.1 36.0 59.4 75.0 97.5 100 212 A Q - 0 0 119 1,-0.0 -4,-2.6 0, 0.0 -1,-0.2 -0.830 50.9-113.7 -96.6 141.5 61.2 74.9 100.8 101 213 A W B -I 95 0D 34 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.3 -0.510 20.6-138.2 -74.5 145.2 62.9 71.6 101.6 102 214 A L + 0 0 37 -8,-2.4 -1,-0.0 -2,-0.2 3,-0.0 -0.881 26.4 171.0-100.7 132.7 61.5 69.6 104.5 103 215 A T + 0 0 64 -2,-0.5 2,-0.5 27,-0.0 -1,-0.1 0.530 47.5 98.4-117.2 -14.1 64.3 68.0 106.6 104 216 A D > - 0 0 96 1,-0.1 4,-2.1 26,-0.1 3,-0.2 -0.657 68.1-142.4 -80.4 124.1 62.2 66.8 109.5 105 217 A A H > S+ 0 0 8 -2,-0.5 4,-2.4 26,-0.4 5,-0.2 0.867 101.1 50.4 -52.6 -44.8 61.4 63.1 109.3 106 218 A A H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.882 109.8 50.4 -63.5 -39.8 57.8 63.6 110.8 107 219 A A H 4 S+ 0 0 30 -3,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.894 112.0 47.8 -66.6 -38.2 57.1 66.4 108.3 108 220 A V H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -15,-0.4 0.898 108.5 53.2 -69.9 -40.5 58.2 64.2 105.4 109 221 A V H >< S+ 0 0 29 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.884 101.4 62.2 -62.1 -35.3 56.1 61.2 106.6 110 222 A A T 3< S+ 0 0 85 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.638 93.3 64.3 -65.4 -14.1 53.1 63.5 106.7 111 223 A T T < S+ 0 0 36 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.485 73.5 134.7 -87.6 -3.2 53.4 64.1 102.9 112 224 A L < + 0 0 36 -3,-1.6 2,-0.3 -4,-0.2 -20,-0.2 -0.163 22.1 147.8 -51.8 131.5 52.7 60.4 102.1 113 225 A K E -G 91 0B 59 -22,-1.5 -22,-3.4 2,-0.1 2,-0.7 -0.972 50.2-105.4-158.1 159.5 50.2 59.8 99.2 114 226 A Q E +G 90 0B 116 -2,-0.3 2,-0.3 -24,-0.3 -24,-0.2 -0.848 61.7 130.7 -93.7 120.4 49.6 57.2 96.5 115 227 A S - 0 0 28 -26,-2.2 -2,-0.1 -2,-0.7 3,-0.0 -0.980 60.2-132.3-164.2 157.1 50.6 58.7 93.2 116 228 A K S S+ 0 0 37 -2,-0.3 51,-0.5 -28,-0.1 2,-0.3 0.335 92.2 10.1 -94.1 3.6 52.7 57.9 90.1 117 229 A T S S+ 0 0 46 49,-0.1 -26,-0.1 1,-0.1 3,-0.1 -0.912 89.8 69.4-162.0-175.1 54.4 61.2 90.2 118 230 A D S S+ 0 0 49 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.894 110.9 21.5 56.2 45.4 55.0 64.5 92.2 119 231 A G S S- 0 0 1 -3,-0.1 98,-0.5 125,-0.1 2,-0.3 -0.908 81.4-113.6 155.3-176.6 57.1 62.5 94.7 120 232 A Y B -H 92 0C 1 -28,-1.9 -28,-2.6 -2,-0.3 69,-0.1 -0.980 28.1 -94.0-148.5 159.9 59.1 59.3 94.9 121 233 A Q - 0 0 0 -2,-0.3 -30,-0.2 -30,-0.2 21,-0.1 -0.606 49.7-113.1 -74.9 127.7 59.1 55.9 96.7 122 234 A P - 0 0 1 0, 0.0 22,-0.4 0, 0.0 2,-0.2 -0.283 38.2-176.2 -60.7 146.0 61.3 56.0 99.8 123 235 A T >> - 0 0 16 95,-0.1 3,-1.4 123,-0.1 4,-0.6 -0.780 45.3 -86.8-132.7 176.2 64.5 53.9 99.7 124 236 A V H >> S+ 0 0 107 1,-0.3 3,-1.2 -2,-0.2 4,-0.8 0.820 122.9 65.8 -59.1 -30.7 67.2 53.1 102.3 125 237 A S H >> S+ 0 0 19 1,-0.3 4,-2.2 2,-0.2 3,-0.6 0.822 94.8 60.0 -63.0 -26.8 69.1 56.3 101.3 126 238 A D H <> S+ 0 0 0 -3,-1.4 4,-2.7 1,-0.2 -1,-0.3 0.777 93.3 64.4 -69.4 -25.8 66.2 58.2 102.7 127 239 A Y H << S+ 0 0 43 -3,-1.2 5,-0.5 -4,-0.6 6,-0.3 0.831 110.0 39.3 -65.1 -30.2 66.8 56.6 106.1 128 240 A V H << S+ 0 0 102 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.870 116.0 49.9 -83.7 -44.8 70.2 58.5 106.0 129 241 A K H < S+ 0 0 41 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.879 121.4 31.6 -63.0 -43.3 68.8 61.7 104.5 130 242 A F S >< S- 0 0 1 -4,-2.7 3,-2.2 -5,-0.1 -1,-0.3 -0.753 92.9-140.9-119.6 81.9 65.9 62.2 106.9 131 243 A P T 3 S+ 0 0 100 0, 0.0 -26,-0.4 0, 0.0 -3,-0.1 -0.145 82.5 18.7 -49.5 123.1 67.1 60.6 110.2 132 244 A G T 3> S+ 0 0 38 -5,-0.5 4,-0.9 -27,-0.1 3,-0.5 0.284 88.1 111.8 99.7 -6.6 64.4 58.7 112.0 133 245 A I H <> + 0 0 0 -3,-2.2 4,-2.5 -6,-0.3 3,-0.4 0.835 65.9 68.9 -68.8 -27.6 62.2 58.3 109.0 134 246 A E H 4 S+ 0 0 99 -4,-0.3 -1,-0.2 1,-0.3 -7,-0.1 0.896 105.7 38.8 -56.8 -41.6 62.9 54.5 109.0 135 247 A T H 4 S+ 0 0 118 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.673 116.8 51.6 -85.0 -15.5 60.9 54.0 112.2 136 248 A L H < S+ 0 0 83 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.744 84.9 96.8 -91.2 -28.1 58.2 56.5 111.3 137 249 A L S < S- 0 0 7 -4,-2.5 5,-0.1 -5,-0.1 -31,-0.0 -0.414 80.3-117.3 -64.9 134.8 57.3 55.2 107.8 138 250 A P > - 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0 0 4 18,-0.2 21,-1.6 -3,-0.2 2,-0.4 -0.753 39.4-145.7-113.4 163.3 72.4 46.1 71.3 156 268 A I B S+j 176 0E 83 -84,-0.5 -80,-0.3 -2,-0.3 -81,-0.3 -0.996 74.0 7.6-132.4 135.3 74.7 48.4 69.3 157 269 A G S S+ 0 0 13 19,-1.9 -82,-2.6 -2,-0.4 2,-0.4 0.873 81.8 145.3 65.6 40.8 73.7 51.7 67.7 158 270 A V - 0 0 0 18,-0.3 21,-1.6 -83,-0.2 2,-0.4 -0.924 29.7-161.8-110.1 133.3 70.2 52.0 69.0 159 271 A E E -hk 77 179A 51 -83,-2.0 -81,-2.5 -2,-0.4 2,-0.6 -0.953 8.6-157.0-119.2 138.8 68.7 55.4 69.8 160 272 A V E -hk 78 180A 0 19,-3.0 21,-3.1 -2,-0.4 2,-0.4 -0.962 19.4-168.4-113.6 117.5 65.7 56.2 72.0 161 273 A H E -hk 79 181A 21 -83,-3.3 -81,-2.6 -2,-0.6 -80,-0.5 -0.898 57.9 -6.8-114.3 140.3 64.1 59.5 71.2 162 274 A R S S+ 0 0 122 19,-2.1 21,-0.2 -2,-0.4 -1,-0.2 0.805 80.0 175.7 51.1 41.1 61.5 61.6 73.0 163 275 A A + 0 0 0 18,-0.4 21,-2.0 -3,-0.2 2,-0.2 -0.432 2.7 164.0 -74.6 147.4 60.8 58.9 75.6 164 276 A S E +i 82 0A 19 -83,-3.0 -81,-2.0 19,-0.2 2,-0.3 -0.785 2.4 137.4-147.1-171.2 58.4 59.6 78.5 165 277 A G E -i 83 0A 3 -83,-0.3 22,-2.4 19,-0.3 2,-0.4 -0.886 46.2 -91.0 152.4 179.6 56.4 57.9 81.2 166 278 A L E S-il 84 187A 47 -83,-2.3 -81,-1.3 -2,-0.3 22,-0.2 -0.999 110.0 -2.0-131.1 122.8 55.2 57.6 84.8 167 279 A M E S+ 0 0 1 20,-0.9 -19,-2.9 -51,-0.5 22,-0.3 0.857 106.1 165.0 60.2 35.7 57.3 55.6 87.3 168 280 A A E -jl 148 188A 0 19,-2.4 21,-0.9 -21,-0.2 2,-0.3 -0.558 25.4-177.1 -92.1 149.9 59.4 55.0 84.1 169 281 A G E -j 149 0A 0 -21,-2.1 -19,-2.5 -2,-0.2 2,-0.4 -0.985 12.6-156.2-143.1 150.1 62.9 53.7 83.7 170 282 A F E -jm 150 194A 3 23,-2.3 25,-2.5 22,-0.4 2,-0.5 -0.978 14.3-174.4-131.1 117.6 65.2 53.2 80.7 171 283 A L E -jm 151 195A 18 -21,-2.6 -19,-3.1 -2,-0.4 2,-0.7 -0.948 14.8-167.8-121.6 121.1 68.0 50.6 81.0 172 284 A F E -jm 152 196A 1 23,-3.1 25,-2.6 -2,-0.5 2,-0.6 -0.919 18.1-170.2-102.6 108.9 70.7 50.0 78.4 173 285 A R E -jm 153 197A 73 -21,-2.8 -19,-3.5 -2,-0.7 -18,-0.2 -0.906 68.6 -13.6-107.1 115.3 72.4 46.7 79.5 174 286 A G S S+ 0 0 16 23,-3.1 2,-0.2 -2,-0.6 -1,-0.2 0.801 100.0 147.8 68.2 28.8 75.6 45.7 77.8 175 287 A C - 0 0 0 22,-0.4 30,-0.3 -3,-0.2 2,-0.3 -0.575 31.6-164.8 -98.3 160.0 75.0 48.2 75.0 176 288 A H B +j 156 0E 28 -21,-1.6 -19,-1.9 -2,-0.2 -18,-0.3 -0.993 69.3 11.2-142.9 143.5 77.4 50.3 73.0 177 289 A F S S+ 0 0 84 28,-2.7 2,-0.3 -2,-0.3 30,-0.2 0.839 88.9 142.6 58.0 37.3 76.9 53.4 70.8 178 290 A C - 0 0 0 27,-0.2 30,-2.2 -21,-0.2 2,-0.4 -0.783 32.9-158.5-107.0 151.7 73.4 53.9 72.1 179 291 A K E -kn 159 208A 62 -21,-1.6 -19,-3.0 -2,-0.3 2,-0.7 -0.991 20.9-153.2-137.1 143.0 71.8 57.2 72.9 180 292 A M E -kn 160 209A 1 28,-2.8 30,-2.6 -2,-0.4 2,-0.5 -0.950 35.3-170.1-107.1 105.2 69.0 58.5 75.0 181 293 A V E -kn 161 210A 15 -21,-3.1 -19,-2.1 -2,-0.7 -18,-0.4 -0.888 52.7 -16.2-111.2 131.7 68.0 61.6 73.0 182 294 A D S S- 0 0 78 28,-2.8 30,-0.3 -2,-0.5 -1,-0.2 0.871 73.1-153.5 49.7 48.2 65.6 64.5 74.0 183 295 A A - 0 0 4 28,-0.5 30,-2.3 -3,-0.2 2,-1.6 -0.298 12.1-134.1 -51.6 125.3 64.0 62.6 76.8 184 296 A N E - o 0 213A 106 -21,-2.0 -19,-0.3 28,-0.2 -1,-0.1 -0.418 54.0 -77.7 -86.7 60.2 60.5 64.2 77.1 185 297 A N E - 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