==== 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 12-JUN-99 1QRB . COMPND 2 MOLECULE: PROTEIN (TAILSPIKE-PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE P22; . AUTHOR B.SCHULER,F.FURST,F.OSTERROTH,S.STEINBACHER,R.HUBER,R.SECKLE . 543 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 171 31.5 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 . 2 0.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 59 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.2 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 0 173 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -42.6 48.8 45.9 41.2 2 114 A S H > + 0 0 78 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.876 360.0 51.0 -49.7 -45.9 50.3 44.0 44.1 3 115 A I H > S+ 0 0 114 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.920 115.2 43.1 -57.6 -46.9 53.7 44.0 42.4 4 116 A E H >> S+ 0 0 100 2,-0.2 4,-1.5 1,-0.2 3,-0.8 0.934 114.1 49.4 -65.1 -49.5 53.4 47.8 41.9 5 117 A A H 3X S+ 0 0 14 -4,-3.5 4,-1.5 1,-0.3 3,-0.5 0.913 106.4 57.3 -58.1 -44.0 52.1 48.4 45.4 6 118 A D H 3< S+ 0 0 91 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.752 112.8 41.6 -59.1 -28.0 54.9 46.3 46.9 7 119 A K H << S+ 0 0 178 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.672 116.8 44.0 -95.2 -19.6 57.4 48.6 45.2 8 120 A K H < S+ 0 0 112 -4,-1.5 2,-0.3 -3,-0.5 -2,-0.2 0.539 96.6 78.1-106.8 -5.0 55.8 52.0 45.8 9 121 A F S < S- 0 0 112 -4,-1.5 2,-0.3 -5,-0.2 0, 0.0 -0.828 77.0-113.3-111.8 149.6 54.7 52.0 49.5 10 122 A K - 0 0 162 -2,-0.3 2,-0.4 1,-0.1 -2,-0.1 -0.552 35.7-124.8 -74.6 130.2 56.5 52.4 52.8 11 123 A Y + 0 0 102 -2,-0.3 20,-2.0 -5,-0.1 2,-0.3 -0.659 45.0 145.0 -84.0 131.3 56.5 49.2 54.9 12 124 A S E -a 31 0A 70 -2,-0.4 2,-0.3 18,-0.2 20,-0.2 -0.944 29.5-155.9-163.1 135.6 55.2 49.3 58.4 13 125 A V E -a 32 0A 23 18,-1.6 20,-3.0 -2,-0.3 2,-0.4 -0.822 16.5-143.9-110.4 155.8 53.3 46.9 60.6 14 126 A K E > -a 33 0A 86 -2,-0.3 3,-2.2 18,-0.2 20,-0.2 -0.979 16.7-128.5-127.0 138.3 51.1 48.1 63.5 15 127 A L G > S+ 0 0 0 18,-2.5 3,-2.3 -2,-0.4 19,-0.1 0.776 101.8 73.9 -51.8 -31.3 50.6 46.5 66.9 16 128 A S G 3 S+ 0 0 55 1,-0.3 -1,-0.3 17,-0.3 18,-0.1 0.688 92.7 56.3 -60.4 -17.3 46.8 46.7 66.6 17 129 A D G < S+ 0 0 92 -3,-2.2 -1,-0.3 2,-0.0 -2,-0.2 0.430 104.4 62.5 -92.5 -3.6 47.0 43.8 64.0 18 130 A Y < - 0 0 59 -3,-2.3 3,-0.1 -4,-0.2 4,-0.0 -0.882 67.7-142.3-127.6 154.7 48.8 41.4 66.4 19 131 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.837 89.3 27.8 -79.1 -36.2 48.1 39.7 69.7 20 132 A T S > S- 0 0 51 1,-0.1 4,-1.4 18,-0.0 5,-0.1 -0.862 75.2-122.0-126.7 161.9 51.6 40.1 71.0 21 133 A L H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.868 113.1 58.3 -67.1 -37.7 54.5 42.4 70.5 22 134 A Q H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 103.3 52.7 -60.7 -37.9 56.7 39.5 69.4 23 135 A D H > S+ 0 0 72 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.920 111.5 45.2 -64.3 -42.2 54.3 38.8 66.6 24 136 A A H X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.917 112.4 52.5 -65.7 -42.0 54.4 42.4 65.4 25 137 A A H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.872 108.4 50.8 -60.5 -41.4 58.2 42.3 65.8 26 138 A S H < S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.827 112.1 45.9 -67.6 -32.9 58.4 39.1 63.6 27 139 A A H < S+ 0 0 42 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.710 90.9 109.6 -82.5 -22.0 56.3 40.6 60.8 28 140 A A < + 0 0 2 -4,-1.5 4,-0.1 1,-0.1 -16,-0.0 -0.231 30.6 163.5 -61.5 144.8 58.2 44.0 60.8 29 141 A V S S- 0 0 95 2,-0.5 23,-0.2 22,-0.1 -1,-0.1 0.651 78.3 -15.9-126.2 -44.0 60.5 44.9 57.9 30 142 A D S S+ 0 0 45 1,-0.5 24,-2.3 24,-0.1 2,-0.2 0.495 124.4 29.4-131.7 -70.9 61.1 48.7 58.1 31 143 A G E -ab 12 54A 8 -20,-2.0 -18,-1.6 22,-0.2 -1,-0.5 -0.642 52.1-168.3-102.9 156.3 58.6 50.4 60.4 32 144 A L E -ab 13 55A 2 22,-2.1 24,-2.4 -2,-0.2 2,-0.5 -0.958 10.9-159.0-141.0 116.8 56.7 49.3 63.5 33 145 A L E -ab 14 56A 39 -20,-3.0 -18,-2.5 -2,-0.4 2,-1.1 -0.897 9.5-152.2-104.0 124.3 53.9 51.4 64.8 34 146 A I E + b 0 57A 1 22,-2.9 24,-2.9 -2,-0.5 25,-0.1 -0.835 33.7 156.4 -93.5 96.9 52.8 51.0 68.4 35 147 A D + 0 0 55 -2,-1.1 2,-0.3 22,-0.1 -1,-0.1 0.275 53.5 46.7-109.4 8.0 49.2 52.2 68.0 36 148 A R S S- 0 0 78 24,-0.1 23,-0.2 -3,-0.1 22,-0.1 -0.986 92.8 -94.7-147.2 145.1 47.4 50.5 70.9 37 149 A D - 0 0 81 -2,-0.3 2,-0.5 21,-0.1 24,-0.2 -0.348 40.5-154.6 -58.4 143.0 48.3 50.3 74.6 38 150 A Y E -c 61 0A 14 22,-2.8 24,-3.1 -4,-0.1 2,-0.6 -0.978 8.3-152.2-130.3 120.4 50.2 47.1 75.4 39 151 A N E -c 62 0A 111 -2,-0.5 2,-0.3 22,-0.2 24,-0.2 -0.806 22.1-171.6 -90.3 119.7 50.2 45.5 78.8 40 152 A F - 0 0 12 22,-2.1 2,-0.3 -2,-0.6 24,-0.3 -0.770 18.6-127.5-110.5 156.4 53.4 43.5 79.2 41 153 A Y > - 0 0 159 -2,-0.3 3,-2.4 22,-0.1 2,-0.1 -0.755 43.7 -85.3 -98.9 151.1 54.4 41.1 81.9 42 154 A G T 3 S+ 0 0 47 -2,-0.3 25,-0.2 1,-0.3 23,-0.1 -0.328 117.3 19.4 -56.5 125.6 57.7 41.6 83.8 43 155 A G T 3 S+ 0 0 35 23,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.441 80.8 157.6 93.7 -0.8 60.5 39.9 81.8 44 156 A E E < -d 67 0A 15 -3,-2.4 24,-3.1 22,-0.6 2,-0.4 -0.439 27.0-157.5 -60.8 123.5 58.6 39.8 78.5 45 157 A T E -d 68 0A 68 -2,-0.2 2,-0.5 22,-0.2 24,-0.2 -0.911 11.7-162.4-113.7 133.4 61.3 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 -0.945 6.7-153.7-116.6 130.9 61.1 40.6 72.2 47 159 A D E -d 70 0A 58 -2,-0.5 24,-0.2 22,-0.2 25,-0.1 -0.912 5.5-169.9-104.6 115.6 63.5 39.3 69.6 48 160 A F > - 0 0 1 22,-2.4 3,-2.0 -2,-0.6 25,-0.2 0.301 35.1-126.4 -90.2 8.6 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 0.669 59.9 -66.4 57.4 25.9 65.8 39.4 64.5 50 162 A G T 3 S+ 0 0 47 21,-2.9 -1,-0.3 1,-0.2 22,-0.2 0.592 91.9 153.2 73.5 12.0 68.7 41.8 63.9 51 163 A K < - 0 0 57 -3,-2.0 22,-2.9 20,-0.5 2,-1.1 -0.471 49.8-128.5 -78.9 142.6 66.4 44.0 61.8 52 164 A V + 0 0 84 -23,-0.2 2,-0.3 20,-0.2 22,-0.1 -0.803 45.9 177.0 -89.0 97.8 67.1 47.7 61.5 53 165 A L - 0 0 0 -2,-1.1 24,-2.1 20,-0.2 2,-0.6 -0.766 36.6-144.4-111.0 155.6 63.7 49.1 62.5 54 166 A T E -be 31 77A 59 -24,-2.3 -22,-2.1 -2,-0.3 2,-0.7 -0.955 23.4-164.5-114.3 103.6 62.1 52.4 63.1 55 167 A I E -be 32 78A 1 22,-3.2 24,-2.8 -2,-0.6 2,-0.6 -0.871 3.1-168.4 -97.5 113.9 59.7 52.0 66.0 56 168 A E E -be 33 79A 99 -24,-2.4 -22,-2.9 -2,-0.7 2,-0.5 -0.915 8.3-154.1-103.5 119.1 57.2 54.8 66.2 57 169 A C E +b 34 0A 13 22,-2.9 -22,-0.1 -2,-0.6 -24,-0.1 -0.825 31.1 156.2-102.0 125.4 55.2 54.9 69.5 58 170 A K + 0 0 151 -24,-2.9 2,-0.3 -2,-0.5 -1,-0.1 0.040 69.4 40.8-128.9 23.1 51.8 56.4 69.7 59 171 A A S S- 0 0 18 -23,-0.2 23,-0.5 -25,-0.1 2,-0.2 -0.919 87.6 -85.5-155.8 177.1 50.5 54.5 72.7 60 172 A K - 0 0 69 -2,-0.3 -22,-2.8 21,-0.1 2,-0.6 -0.585 13.3-141.3 -99.0 156.9 51.7 53.2 76.0 61 173 A F E -cf 38 83A 1 21,-2.6 23,-1.8 -2,-0.2 2,-0.5 -0.973 32.6-162.9-109.1 115.0 53.6 50.1 77.2 62 174 A I E +cf 39 84A 27 -24,-3.1 -22,-2.1 -2,-0.6 2,-0.2 -0.923 32.2 92.3-111.9 124.3 51.9 49.3 80.6 63 175 A G - 0 0 2 21,-2.4 2,-0.4 -2,-0.5 -22,-0.1 -0.862 64.0-106.2 167.6 155.6 53.4 47.0 83.2 64 176 A D S S+ 0 0 45 -24,-0.3 84,-0.2 -2,-0.2 -22,-0.2 -0.835 88.8 23.3 -92.7 141.6 55.5 46.8 86.4 65 177 A G E S- g 0 148A 25 82,-2.9 84,-2.5 -2,-0.4 2,-0.4 -0.555 102.7 -29.9 102.6-168.3 58.9 45.3 85.6 66 178 A N E - g 0 149A 40 -2,-0.2 -23,-2.6 82,-0.2 -22,-0.6 -0.748 31.3-161.9-103.0 137.5 61.0 45.1 82.5 67 179 A L E -dg 44 150A 0 82,-2.6 84,-3.0 -2,-0.4 2,-0.6 -0.972 28.6-150.1-108.7 114.6 60.0 44.9 78.8 68 180 A I E -dg 45 151A 10 -24,-3.1 -22,-3.2 -2,-0.6 2,-0.5 -0.843 13.9-166.8-102.0 120.5 63.1 43.5 77.2 69 181 A F E +dg 46 152A 2 82,-3.1 84,-2.4 -2,-0.6 2,-0.3 -0.907 17.5 175.7-101.6 125.8 64.0 44.4 73.6 70 182 A T E +dg 47 153A 20 -24,-2.7 -22,-2.4 -2,-0.5 -20,-0.2 -0.905 49.5 21.5-129.9 161.6 66.8 42.3 72.1 71 183 A K + 0 0 121 82,-0.6 -21,-2.9 -2,-0.3 -20,-0.5 0.852 66.5 162.4 53.4 44.4 68.5 41.9 68.7 72 184 A L - 0 0 8 -22,-0.2 84,-0.5 -23,-0.2 -1,-0.2 -0.778 41.1-115.0 -88.0 136.0 67.7 45.3 67.3 73 185 A G > - 0 0 9 -22,-2.9 3,-1.9 -2,-0.4 -20,-0.2 -0.343 37.2 -84.6 -72.5 157.1 70.0 46.0 64.3 74 186 A K T 3 S+ 0 0 159 1,-0.3 83,-0.2 -24,-0.1 84,-0.2 -0.384 119.0 34.8 -60.8 127.5 72.5 48.8 64.4 75 187 A G T 3 S+ 0 0 51 82,-2.9 -1,-0.3 1,-0.3 83,-0.2 0.354 82.3 144.9 106.8 -5.3 70.7 52.0 63.3 76 188 A S < - 0 0 2 -3,-1.9 83,-2.1 81,-0.3 2,-0.4 -0.381 30.3-161.8 -67.2 146.1 67.3 51.1 64.9 77 189 A R E -eh 54 159A 83 -24,-2.1 -22,-3.2 81,-0.2 2,-0.5 -0.995 12.1-165.5-135.3 135.2 65.4 54.0 66.4 78 190 A I E -eh 55 160A 0 81,-2.6 83,-3.4 -2,-0.4 2,-0.4 -0.989 16.4-173.9-121.4 122.4 62.6 54.1 68.9 79 191 A A E +eh 56 161A 6 -24,-2.8 -22,-2.9 -2,-0.5 83,-0.2 -0.965 57.5 4.4-125.3 137.5 60.6 57.3 69.2 80 192 A G S S+ 0 0 29 81,-2.5 82,-0.1 -2,-0.4 83,-0.1 0.538 73.7 169.5 77.2 8.9 57.9 58.5 71.6 81 193 A V - 0 0 0 80,-0.4 83,-2.7 -26,-0.2 2,-0.4 -0.216 15.3-163.4 -55.3 139.7 57.9 55.4 73.8 82 194 A F E - i 0 164A 51 -23,-0.5 -21,-2.6 81,-0.2 2,-0.4 -0.961 1.9-164.4-133.1 112.6 55.8 55.9 77.0 83 195 A M E +fi 61 165A 0 81,-1.9 83,-2.4 -2,-0.4 2,-0.3 -0.789 11.8 173.6 -97.7 139.4 56.3 53.5 80.0 84 196 A E E -fi 62 166A 26 -23,-1.8 -21,-2.4 -2,-0.4 83,-0.2 -0.973 24.7-129.8-148.9 131.1 53.7 53.3 82.8 85 197 A S - 0 0 0 81,-1.2 -21,-0.2 -2,-0.3 63,-0.1 -0.225 9.1-139.4 -72.6 162.1 53.5 51.0 85.8 86 198 A T S S+ 0 0 81 -24,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.717 85.8 75.9 -91.3 -26.7 50.3 49.1 86.7 87 199 A T - 0 0 54 29,-0.0 -2,-0.2 60,-0.0 -24,-0.1 -0.631 68.4-152.3 -87.3 140.6 50.9 49.8 90.4 88 200 A T - 0 0 61 -2,-0.3 28,-0.1 26,-0.0 2,-0.0 -0.934 29.6-162.1-107.0 102.8 50.3 53.2 91.9 89 201 A P - 0 0 1 0, 0.0 26,-2.1 0, 0.0 2,-0.5 -0.238 24.8 -93.3 -85.2 175.1 52.7 53.3 94.8 90 202 A W E -G 114 0B 74 50,-0.3 2,-0.3 24,-0.2 24,-0.3 -0.769 48.6-173.3 -84.6 125.9 53.0 55.3 98.0 91 203 A V E -G 113 0B 0 22,-3.2 22,-1.5 -2,-0.5 2,-0.3 -0.905 17.3-141.7-124.0 151.7 55.3 58.3 97.4 92 204 A I B -H 120 0C 0 28,-2.6 28,-2.0 -2,-0.3 17,-0.1 -0.812 4.6-158.1-106.4 155.5 56.8 61.0 99.7 93 205 A K - 0 0 42 15,-0.4 2,-1.7 -2,-0.3 26,-0.1 -0.774 3.8-167.2-137.2 85.5 57.2 64.6 98.6 94 206 A P + 0 0 0 0, 0.0 8,-2.6 0, 0.0 2,-0.3 -0.101 60.4 76.0 -68.7 37.3 59.9 66.3 100.8 95 207 A W B S-I 101 0D 21 -2,-1.7 6,-0.2 6,-0.3 2,-0.1 -0.985 70.8-124.2-146.3 155.7 59.1 69.9 99.7 96 208 A T > - 0 0 34 4,-2.7 3,-2.2 -2,-0.3 6,-0.0 -0.353 35.7 -96.6 -93.1 178.0 56.5 72.5 100.5 97 209 A D T 3 S+ 0 0 162 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.601 128.5 53.1 -67.1 -14.7 54.0 74.6 98.4 98 210 A D T 3 S- 0 0 127 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.158 123.0-110.1-101.7 8.8 56.6 77.4 98.7 99 211 A N < + 0 0 64 -3,-2.2 2,-0.4 1,-0.2 -2,-0.1 0.850 68.7 147.9 64.6 34.3 59.2 75.0 97.4 100 212 A Q - 0 0 109 1,-0.0 -4,-2.7 0, 0.0 -1,-0.2 -0.846 51.5-114.4 -96.7 140.6 61.1 74.8 100.7 101 213 A W B -I 95 0D 32 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.3 -0.498 20.9-138.0 -72.9 143.5 62.7 71.4 101.4 102 214 A L + 0 0 37 -8,-2.6 -1,-0.0 -2,-0.2 3,-0.0 -0.902 26.4 171.7-100.5 128.9 61.3 69.5 104.4 103 215 A T + 0 0 64 -2,-0.5 2,-0.5 27,-0.0 -1,-0.1 0.557 47.8 98.2-112.0 -14.5 64.1 68.0 106.5 104 216 A D > - 0 0 94 1,-0.1 4,-2.2 26,-0.1 3,-0.4 -0.643 68.1-143.2 -79.7 121.7 62.1 66.7 109.4 105 217 A A H > S+ 0 0 8 -2,-0.5 4,-2.6 26,-0.4 5,-0.2 0.849 101.4 50.8 -51.4 -41.5 61.3 63.0 109.1 106 218 A A H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.887 109.7 49.6 -66.8 -38.4 57.8 63.5 110.6 107 219 A A H 4 S+ 0 0 30 -3,-0.4 4,-0.2 2,-0.2 -2,-0.2 0.883 113.4 47.7 -67.5 -36.2 57.0 66.3 108.2 108 220 A V H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 -15,-0.4 0.911 107.9 53.3 -71.5 -41.3 58.1 64.1 105.3 109 221 A V H >< S+ 0 0 28 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.901 101.3 62.8 -61.6 -34.8 56.1 61.1 106.5 110 222 A A T 3< S+ 0 0 85 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.609 92.2 65.2 -64.8 -13.8 53.1 63.3 106.5 111 223 A T T < S+ 0 0 34 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.543 72.5 134.7 -87.2 -6.0 53.4 63.9 102.8 112 224 A L < + 0 0 34 -3,-1.7 2,-0.3 -4,-0.3 -20,-0.2 -0.081 21.7 147.5 -47.6 132.9 52.6 60.3 101.9 113 225 A K E -G 91 0B 59 -22,-1.5 -22,-3.2 2,-0.1 2,-0.7 -0.961 50.6-104.7-160.0 161.2 50.1 59.7 99.1 114 226 A Q E +G 90 0B 116 -2,-0.3 2,-0.3 -24,-0.3 -24,-0.2 -0.893 62.1 131.0 -96.1 119.9 49.5 57.1 96.3 115 227 A S - 0 0 30 -26,-2.1 -2,-0.1 -2,-0.7 3,-0.0 -0.974 59.7-133.1-164.4 155.6 50.6 58.6 93.0 116 228 A K S S+ 0 0 37 -2,-0.3 51,-0.5 -28,-0.1 2,-0.3 0.330 92.1 10.0 -94.0 4.3 52.7 57.8 90.0 117 229 A T S S+ 0 0 44 49,-0.1 -26,-0.1 1,-0.1 3,-0.1 -0.898 90.4 69.7-161.6-173.1 54.4 61.2 90.1 118 230 A D S S+ 0 0 51 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.881 111.0 22.1 54.3 42.7 55.0 64.4 92.1 119 231 A G S S- 0 0 1 -3,-0.1 98,-0.5 125,-0.1 2,-0.3 -0.911 80.8-114.4 157.7-176.6 57.0 62.4 94.6 120 232 A Y B -H 92 0C 1 -28,-2.0 -28,-2.6 -2,-0.3 69,-0.1 -0.978 28.2 -94.4-149.3 158.7 59.0 59.2 94.9 121 233 A Q - 0 0 0 -2,-0.3 -30,-0.2 -30,-0.2 21,-0.1 -0.592 49.2-113.6 -73.9 128.0 59.1 55.8 96.6 122 234 A P - 0 0 1 0, 0.0 22,-0.4 0, 0.0 2,-0.3 -0.325 38.6-176.8 -62.0 145.6 61.3 56.0 99.8 123 235 A T >> - 0 0 16 95,-0.1 3,-1.5 123,-0.1 4,-0.6 -0.780 46.1 -85.3-132.1 177.3 64.4 53.8 99.6 124 236 A V H >> S+ 0 0 109 1,-0.3 3,-1.0 -2,-0.3 4,-0.7 0.791 123.1 65.9 -59.7 -27.7 67.2 53.1 102.2 125 237 A S H >> S+ 0 0 21 1,-0.3 4,-2.2 2,-0.2 3,-0.5 0.810 94.2 59.9 -66.4 -25.6 69.0 56.3 101.2 126 238 A D H <> S+ 0 0 0 -3,-1.5 4,-2.8 1,-0.2 -1,-0.3 0.774 93.4 64.7 -70.4 -25.2 66.1 58.2 102.6 127 239 A Y H << S+ 0 0 44 -3,-1.0 5,-0.5 -4,-0.6 6,-0.2 0.829 110.3 38.6 -65.0 -30.0 66.8 56.6 106.0 128 240 A V H << S+ 0 0 103 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.865 116.3 50.5 -84.8 -43.2 70.1 58.5 105.9 129 241 A K H < S+ 0 0 38 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.875 121.8 30.4 -64.9 -42.6 68.7 61.7 104.4 130 242 A F S >< S- 0 0 1 -4,-2.8 3,-2.3 -5,-0.1 -1,-0.3 -0.743 93.5-139.9-121.0 81.7 65.8 62.1 106.8 131 243 A P T 3 S+ 0 0 101 0, 0.0 -26,-0.4 0, 0.0 -3,-0.1 -0.091 83.1 17.1 -46.9 124.8 67.1 60.6 110.1 132 244 A G T >> S+ 0 0 41 -5,-0.5 4,-0.9 -27,-0.1 3,-0.7 0.285 88.2 112.4 95.4 -7.1 64.4 58.6 111.9 133 245 A I H X> + 0 0 0 -3,-2.3 4,-2.5 -7,-0.3 3,-0.5 0.847 65.8 70.5 -66.8 -28.6 62.1 58.2 108.9 134 246 A E H 34 S+ 0 0 98 -4,-0.3 -1,-0.2 1,-0.3 -7,-0.1 0.876 104.4 38.8 -56.0 -40.1 62.8 54.5 108.8 135 247 A T H <4 S+ 0 0 119 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.667 116.3 52.0 -86.9 -14.6 60.9 53.9 112.0 136 248 A L H << S+ 0 0 86 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.748 84.7 97.0 -91.3 -27.3 58.1 56.4 111.2 137 249 A L S < S- 0 0 6 -4,-2.5 5,-0.1 1,-0.1 -31,-0.0 -0.416 80.4-118.2 -65.7 134.3 57.2 55.1 107.7 138 250 A P > - 0 0 46 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.428 28.4-111.5 -68.6 149.4 54.2 52.8 107.7 139 251 A P G > S+ 0 0 118 0, 0.0 3,-1.2 0, 0.0 -2,-0.1 0.812 115.1 61.2 -54.8 -31.5 55.1 49.3 106.4 140 252 A N G 3 S+ 0 0 99 1,-0.2 -50,-0.3 3,-0.0 -3,-0.0 0.642 103.8 51.6 -73.3 -7.3 53.2 49.6 103.2 141 253 A A G < S+ 0 0 0 -3,-2.1 3,-0.4 -52,-0.1 2,-0.3 0.449 96.7 86.5-103.8 -2.7 55.4 52.6 102.2 142 254 A K S < S+ 0 0 76 -3,-1.2 -19,-0.1 -4,-0.4 -52,-0.0 -0.732 90.5 9.0-103.8 147.4 58.7 50.7 102.8 143 255 A G S S+ 0 0 71 -2,-0.3 -1,-0.2 -21,-0.2 2,-0.1 0.695 78.1 161.8 64.1 23.3 60.6 48.5 100.4 144 256 A Q - 0 0 28 -22,-0.4 -1,-0.2 -3,-0.4 -3,-0.0 -0.433 20.3-172.4 -72.7 153.7 58.5 49.3 97.3 145 257 A N + 0 0 97 -2,-0.1 2,-0.5 -22,-0.0 -1,-0.1 -0.261 20.5 154.5-144.3 52.3 60.1 48.5 94.0 146 258 A I + 0 0 25 -82,-0.1 44,-2.3 2,-0.0 2,-0.3 -0.713 8.3 139.1 -92.5 120.0 57.8 49.9 91.2 147 259 A T - 0 0 5 -2,-0.5 -82,-2.9 42,-0.2 2,-0.8 -0.936 41.1-147.3-155.6 133.2 59.4 50.8 87.9 148 260 A S E -gj 65 168A 0 19,-2.7 21,-2.1 -2,-0.3 2,-0.5 -0.927 37.3-169.5-101.0 102.5 58.0 50.2 84.3 149 261 A T E -gj 66 169A 6 -84,-2.5 -82,-2.6 -2,-0.8 2,-0.7 -0.844 28.3-153.9-109.8 131.8 61.3 49.7 82.6 150 262 A L E -gj 67 170A 2 19,-2.5 21,-2.8 -2,-0.5 2,-0.5 -0.871 22.9-165.0 -94.1 114.1 62.2 49.4 78.9 151 263 A E E -gj 68 171A 2 -84,-3.0 -82,-3.1 -2,-0.7 2,-0.6 -0.926 10.7-166.3-106.4 121.7 65.4 47.3 78.8 152 264 A I E -gj 69 172A 2 19,-2.9 21,-2.7 -2,-0.5 2,-0.5 -0.959 20.9-158.0-102.0 120.7 67.5 47.4 75.6 153 265 A R E -gj 70 173A 75 -84,-2.4 -82,-0.6 -2,-0.6 21,-0.2 -0.910 53.1 -23.5-117.2 126.6 69.8 44.4 76.0 154 266 A E S S+ 0 0 143 19,-3.4 2,-0.3 -2,-0.5 -83,-0.2 0.884 90.4 141.1 48.8 50.9 73.2 43.8 74.2 155 267 A C - 0 0 4 18,-0.2 21,-1.6 -3,-0.2 2,-0.4 -0.793 39.8-147.3-116.6 160.1 72.4 46.0 71.2 156 268 A I B S+j 176 0E 83 -84,-0.5 -81,-0.2 -2,-0.3 21,-0.2 -0.986 74.8 9.1-129.2 136.4 74.7 48.4 69.3 157 269 A G S S+ 0 0 12 19,-1.8 -82,-2.9 -2,-0.4 2,-0.4 0.857 82.0 144.4 66.3 39.9 73.7 51.6 67.7 158 270 A V - 0 0 0 18,-0.3 21,-1.5 -84,-0.2 2,-0.4 -0.928 29.7-162.4-110.8 132.5 70.1 51.9 69.0 159 271 A E E -hk 77 179A 53 -83,-2.1 -81,-2.6 -2,-0.4 2,-0.5 -0.935 9.5-157.7-119.2 140.7 68.7 55.3 69.8 160 272 A V E -hk 78 180A 1 19,-2.6 21,-3.2 -2,-0.4 2,-0.4 -0.982 19.4-168.4-114.2 120.3 65.7 56.1 72.0 161 273 A H E -hk 79 181A 23 -83,-3.4 -81,-2.5 -2,-0.5 -80,-0.4 -0.911 58.1 -5.6-117.0 140.7 64.1 59.5 71.2 162 274 A R S S+ 0 0 117 19,-2.2 21,-0.2 -2,-0.4 -1,-0.2 0.813 80.1 176.4 50.8 42.6 61.5 61.6 73.0 163 275 A A + 0 0 0 18,-0.4 21,-2.1 -3,-0.2 2,-0.2 -0.398 3.0 164.8 -74.5 152.6 60.8 58.9 75.6 164 276 A S E +i 82 0A 21 -83,-2.7 -81,-1.9 19,-0.2 2,-0.3 -0.818 2.7 135.7-151.9-174.7 58.4 59.6 78.4 165 277 A G E -i 83 0A 3 19,-0.3 22,-2.6 -83,-0.3 2,-0.4 -0.871 46.5 -90.5 152.6 178.2 56.4 57.8 81.1 166 278 A L E S-il 84 187A 47 -83,-2.4 -81,-1.2 -2,-0.3 22,-0.2 -0.999 109.6 -2.4-129.2 123.6 55.1 57.5 84.7 167 279 A M E S+ 0 0 1 20,-0.8 -19,-2.7 -51,-0.5 22,-0.3 0.840 105.9 165.1 59.9 36.0 57.2 55.5 87.2 168 280 A A E -jl 148 188A 0 19,-2.5 21,-0.9 -21,-0.2 2,-0.3 -0.529 25.5-177.6 -91.0 151.0 59.3 54.9 84.1 169 281 A G E -j 149 0A 0 -21,-2.1 -19,-2.5 -2,-0.2 2,-0.4 -0.987 12.4-156.6-145.7 148.7 62.8 53.6 83.6 170 282 A F E -jm 150 194A 3 23,-1.8 25,-2.3 22,-0.5 2,-0.5 -0.992 14.6-175.1-131.6 120.2 65.2 53.1 80.7 171 283 A L E -jm 151 195A 18 -21,-2.8 -19,-2.9 -2,-0.4 2,-0.7 -0.967 15.4-168.4-125.0 119.6 68.0 50.6 80.9 172 284 A F E -jm 152 196A 2 23,-3.0 25,-2.8 -2,-0.5 2,-0.5 -0.931 18.6-170.3-101.2 113.4 70.7 49.9 78.3 173 285 A R E -jm 153 197A 72 -21,-2.7 -19,-3.4 -2,-0.7 -18,-0.2 -0.943 68.0 -11.9-111.8 118.7 72.4 46.7 79.5 174 286 A G S S+ 0 0 17 23,-3.0 2,-0.2 -2,-0.5 -1,-0.2 0.771 100.9 143.8 67.2 26.5 75.6 45.5 77.8 175 287 A C - 0 0 0 22,-0.4 30,-0.3 -21,-0.2 2,-0.3 -0.565 33.4-163.8 -98.9 163.5 75.0 48.1 75.0 176 288 A H B +j 156 0E 28 -21,-1.6 -19,-1.8 -2,-0.2 -18,-0.3 -0.992 68.5 12.9-145.0 145.8 77.4 50.3 73.0 177 289 A F S S+ 0 0 86 28,-2.8 2,-0.3 -2,-0.3 30,-0.2 0.847 88.5 141.8 56.8 38.9 77.0 53.3 70.8 178 290 A C - 0 0 0 27,-0.2 30,-2.1 -21,-0.2 2,-0.4 -0.800 33.3-158.7-109.5 151.3 73.4 53.8 72.1 179 291 A K E -kn 159 208A 61 -21,-1.5 -19,-2.6 -2,-0.3 2,-0.7 -0.987 20.6-152.1-136.2 145.9 71.8 57.1 72.9 180 292 A M E -kn 160 209A 1 28,-2.6 30,-2.6 -2,-0.4 2,-0.4 -0.952 36.6-169.8-110.6 104.6 68.9 58.5 75.0 181 293 A V E -kn 161 210A 14 -21,-3.2 -19,-2.2 -2,-0.7 -18,-0.4 -0.870 50.2 -17.4-111.8 133.8 67.9 61.5 73.0 182 294 A D S S- 0 0 79 28,-2.7 30,-0.2 -2,-0.4 -1,-0.2 0.847 73.2-155.5 48.8 45.9 65.5 64.4 73.8 183 295 A A - 0 0 4 28,-0.4 30,-2.0 27,-0.2 2,-1.5 -0.256 12.4-133.8 -52.1 127.6 63.7 62.6 76.6 184 296 A N E - o 0 213A 105 -21,-2.1 -19,-0.3 28,-0.2 -1,-0.1 -0.472 56.6 -76.0 -86.6 61.3 60.3 64.1 76.9 185 297 A N E - 0 0 58 -2,-1.5 -20,-0.3 28,-0.9 29,-0.2 0.879 58.8-165.8 53.0 53.7 60.3 64.5 80.7 186 298 A P E - 0 0 0 0, 0.0 29,-2.3 0, 0.0 2,-0.6 -0.431 18.8-129.9 -68.0 147.9 59.7 60.9 81.9 187 299 A S E -lo 166 215A 8 -22,-2.6 -19,-2.5 27,-0.2 -20,-0.8 -0.902 34.3-125.2 -98.7 120.3 58.7 60.8 85.6 188 300 A G E -lo 168 216A 1 27,-2.6 29,-0.7 -2,-0.6 -21,-0.4 -0.117 19.8-156.4 -71.9 162.7 60.9 58.2 87.3 189 301 A G - 0 0 0 -21,-0.9 29,-2.9 2,-0.4 30,-0.4 -0.050 55.1 -53.8-108.6-144.7 60.2 55.1 89.3 190 302 A K S S+ 0 0 47 -44,-2.3 -43,-0.1 -23,-0.2 3,-0.1 0.879 117.2 54.4 -68.8 -39.8 62.3 53.1 91.8 191 303 A D S S- 0 0 73 1,-0.2 -2,-0.4 -24,-0.1 28,-0.4 -0.269 106.5 -65.7 -89.9 177.2 65.3 52.7 89.5 192 304 A G - 0 0 3 1,-0.1 -22,-0.5 26,-0.1 3,-0.2 -0.268 40.8-132.7 -59.0 148.6 67.5 55.2 87.6 193 305 A I S S+ 0 0 2 27,-1.0 -23,-1.8 28,-0.4 2,-0.4 0.914 95.3 15.6 -73.3 -42.9 65.6 56.9 84.8 194 306 A I E S+mp 170 222A 1 27,-2.5 29,-2.2 26,-0.3 2,-0.4 -0.971 79.0 176.1-132.8 117.0 68.3 56.4 82.3 195 307 A T E -mp 171 223A 10 -25,-2.3 -23,-3.0 -2,-0.4 2,-0.7 -0.982 21.0-164.7-125.2 132.2 71.0 53.8 83.0 196 308 A F E -mp 172 224A 0 27,-2.5 29,-2.5 -2,-0.4 2,-0.5 -0.958 21.5-178.9-113.1 102.7 73.9 52.5 80.9 197 309 A E E +mp 173 225A 41 -25,-2.8 -23,-3.0 -2,-0.7 -22,-0.4 -0.945 17.0 163.9-109.7 120.6 75.1 49.3 82.7 198 310 A N + 0 0 1 27,-1.7 6,-0.2 -2,-0.5 -25,-0.1 -0.281 24.1 135.1-130.2 50.7 78.0 47.4 81.2 199 311 A L + 0 0 34 4,-0.1 2,-0.4 61,-0.1 -1,-0.1 0.746 69.5 52.2 -70.4 -24.2 79.1 45.1 84.1 200 312 A S S S+ 0 0 98 -3,-0.1 2,-0.2 2,-0.1 -26,-0.0 -0.896 108.5 0.7-115.4 145.9 79.4 42.2 81.6 201 313 A G S S- 0 0 59 -2,-0.4 3,-0.1 3,-0.0 -3,-0.0 -0.514 113.2 -4.6 81.8-153.3 81.4 42.1 78.4 202 314 A D S S- 0 0 127 -2,-0.2 -2,-0.1 1,-0.1 3,-0.1 -0.308 86.5 -88.1 -72.5 160.5 83.4 45.0 77.2 203 315 A W - 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