==== 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 TRANSFERASE 02-SEP-97 1AUV . COMPND 2 MOLECULE: SYNAPSIN IA; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR L.ESSER,C.WANG,J.DEISENHOFER . 585 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 423 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 72 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 2 0 0 2 2 0 2 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 2 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 PARALLEL BRIDGES PER LADDER . 2 2 5 2 5 3 1 0 2 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 2 4 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 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 1 112 A A 0 0 138 0, 0.0 2,-0.1 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 113.6 -1.3 62.4 9.4 2 113 A A - 0 0 56 26,-0.1 2,-0.4 1,-0.1 28,-0.2 -0.281 360.0-119.8 -76.4 156.3 0.4 59.7 11.5 3 114 A R E -a 30 0A 64 26,-2.6 28,-3.6 -2,-0.1 2,-0.6 -0.769 22.0-138.4 -96.3 138.4 3.3 57.5 10.7 4 115 A V E -a 31 0A 30 -2,-0.4 66,-2.9 64,-0.3 67,-1.4 -0.872 15.2-169.7-102.7 114.9 2.9 53.7 10.7 5 116 A L E -ab 32 71A 0 26,-2.5 28,-2.9 -2,-0.6 2,-0.5 -0.893 7.6-157.4-104.7 118.9 5.6 51.5 12.2 6 117 A L E -ab 33 72A 0 65,-3.0 67,-2.1 -2,-0.6 2,-0.6 -0.865 8.5-163.6 -94.0 128.5 5.2 47.8 11.7 7 118 A V E -ab 34 73A 0 26,-3.1 28,-2.0 -2,-0.5 2,-0.9 -0.963 7.4-154.6-115.7 118.5 7.2 45.8 14.3 8 119 A I E +ab 35 74A 1 65,-2.4 67,-2.2 -2,-0.6 68,-0.3 -0.807 47.0 114.7 -92.5 107.9 7.8 42.2 13.5 9 120 A D - 0 0 10 26,-2.1 67,-0.1 -2,-0.9 -2,-0.1 -0.978 69.1 -85.7-163.4 162.8 8.2 40.4 16.8 10 121 A E > - 0 0 109 -2,-0.3 3,-1.0 65,-0.2 25,-0.1 -0.389 50.5-104.9 -68.7 161.0 6.7 37.8 19.1 11 122 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 0.705 100.5 95.1 -62.9 -20.7 3.9 39.2 21.5 12 123 A H T 3 S+ 0 0 144 1,-0.1 2,-0.5 2,-0.1 -2,-0.0 0.759 80.9 56.9 -41.0 -37.7 6.2 39.1 24.5 13 124 A T S < S- 0 0 8 -3,-1.0 2,-1.4 3,-0.0 3,-0.2 -0.890 74.1-145.9-108.4 126.0 7.2 42.8 24.1 14 125 A D >> + 0 0 92 -2,-0.5 4,-0.8 1,-0.2 3,-0.7 -0.639 24.3 172.3 -88.0 91.2 4.6 45.6 24.0 15 126 A W H 3> S+ 0 0 0 -2,-1.4 4,-1.6 1,-0.2 3,-0.5 0.848 71.9 66.1 -70.4 -30.4 6.3 48.0 21.5 16 127 A A H 3> S+ 0 0 45 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.844 99.6 54.2 -57.4 -34.2 3.3 50.3 21.3 17 128 A K H <4 S+ 0 0 114 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.830 108.5 45.1 -70.6 -38.2 4.0 51.2 24.9 18 129 A Y H < S+ 0 0 25 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.691 117.2 46.9 -80.1 -17.7 7.6 52.2 24.5 19 130 A F H >< S+ 0 0 2 -4,-1.6 3,-2.0 2,-0.1 -2,-0.2 0.574 83.6 122.5 -95.6 -13.4 6.7 54.2 21.3 20 131 A K T 3< S+ 0 0 177 -4,-1.0 3,-0.1 1,-0.3 11,-0.1 -0.206 82.1 8.7 -54.3 130.7 3.7 55.9 22.9 21 132 A G T 3 S+ 0 0 67 1,-0.3 2,-0.3 9,-0.2 -1,-0.3 0.255 92.8 133.8 82.9 -15.8 3.9 59.7 22.8 22 133 A K < - 0 0 64 -3,-2.0 8,-0.5 8,-0.1 2,-0.4 -0.537 37.8-166.7 -70.1 128.5 7.0 59.6 20.5 23 134 A K > - 0 0 88 -2,-0.3 3,-0.8 6,-0.1 2,-0.5 -0.949 22.3-122.1-125.9 144.4 6.5 62.1 17.7 24 135 A I B >> S-D 28 0B 0 4,-3.2 4,-2.1 -2,-0.4 3,-1.8 -0.710 99.9 -6.8 -84.4 120.2 8.3 62.7 14.4 25 136 A H T 34 S- 0 0 130 -2,-0.5 -1,-0.3 1,-0.3 263,-0.0 0.680 122.1 -74.7 67.1 17.8 9.7 66.2 14.1 26 137 A G T <4 S+ 0 0 49 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.1 0.541 132.4 65.8 71.0 9.2 7.8 66.8 17.4 27 138 A E T <4 S+ 0 0 142 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.728 77.8 69.0-121.1 -60.0 4.6 66.9 15.3 28 139 A I B < -D 24 0B 45 -4,-2.1 -4,-3.2 1,-0.1 -2,-0.2 -0.521 69.2-139.0 -77.8 128.1 3.6 63.6 13.7 29 140 A D - 0 0 88 -2,-0.3 -26,-2.6 -6,-0.2 2,-0.4 -0.226 12.5-125.7 -78.8 173.9 2.5 60.7 15.8 30 141 A I E -a 3 0A 23 -8,-0.5 2,-0.6 -28,-0.2 -26,-0.2 -0.985 9.8-155.6-127.9 121.7 3.5 57.1 15.4 31 142 A K E -a 4 0A 102 -28,-3.6 -26,-2.5 -2,-0.4 2,-0.6 -0.883 17.6-149.0 -94.3 118.2 0.9 54.2 15.1 32 143 A V E -a 5 0A 17 -2,-0.6 2,-0.4 -28,-0.2 -26,-0.2 -0.814 14.4-174.5 -94.9 119.1 2.6 50.9 16.1 33 144 A E E -a 6 0A 16 -28,-2.9 -26,-3.1 -2,-0.6 2,-0.4 -0.924 9.3-169.3-108.2 131.1 1.4 47.7 14.4 34 145 A Q E +a 7 0A 51 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.984 18.3 139.0-131.9 129.7 2.9 44.5 15.8 35 146 A A E -a 8 0A 11 -28,-2.0 -26,-2.1 -2,-0.4 2,-0.3 -0.933 46.2-101.8-154.5 171.1 2.8 41.0 14.4 36 147 A E > - 0 0 56 -2,-0.3 3,-1.6 -28,-0.2 19,-0.2 -0.671 38.3-109.5 -97.1 157.2 4.9 37.9 13.9 37 148 A F G > S+ 0 0 1 1,-0.3 3,-1.9 -2,-0.3 -1,-0.1 0.909 118.1 59.5 -50.7 -45.7 6.3 37.0 10.5 38 149 A S G 3 S+ 0 0 56 1,-0.3 -1,-0.3 46,-0.1 46,-0.0 0.731 102.3 53.5 -59.8 -19.8 3.9 34.1 10.2 39 150 A D G < S+ 0 0 21 -3,-1.6 16,-3.7 17,-0.1 2,-0.3 0.241 98.8 79.6-101.6 15.6 0.9 36.5 10.5 40 151 A L E < +E 54 0C 17 -3,-1.9 2,-0.3 14,-0.2 14,-0.2 -0.843 44.4 161.4-125.9 153.2 1.8 38.8 7.7 41 152 A N E -E 53 0C 100 12,-2.0 12,-2.8 -2,-0.3 2,-0.3 -0.951 9.9-179.0-155.5 171.7 1.6 38.9 3.9 42 153 A L E -E 52 0C 26 -2,-0.3 2,-0.4 10,-0.3 10,-0.2 -0.991 24.4-137.9-166.1 173.9 1.8 41.4 1.2 43 154 A V E -E 51 0C 78 8,-1.4 8,-1.3 -2,-0.3 2,-0.4 -0.989 24.3-165.6-142.2 132.4 1.7 42.3 -2.5 44 155 A A E -E 50 0C 23 -2,-0.4 2,-0.4 6,-0.2 6,-0.2 -0.968 4.8-159.9-129.2 140.7 4.1 44.8 -3.9 45 156 A H > - 0 0 95 4,-2.6 3,-2.2 -2,-0.4 -2,-0.0 -0.940 26.3-127.3-117.9 144.5 4.1 46.6 -7.2 46 157 A A T 3 S+ 0 0 94 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.636 107.1 67.5 -64.9 -14.9 7.1 48.2 -8.9 47 158 A N T 3 S- 0 0 142 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.454 124.4 -98.6 -84.2 0.1 5.1 51.5 -9.2 48 159 A G S < S+ 0 0 48 -3,-2.2 -2,-0.1 1,-0.4 2,-0.1 0.240 82.3 131.2 103.8 -15.8 5.2 51.8 -5.4 49 160 A G + 0 0 27 -5,-0.1 -4,-2.6 2,-0.0 -1,-0.4 -0.455 28.1 144.9 -69.8 147.0 1.8 50.5 -4.6 50 161 A F E -E 44 0C 37 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.972 31.5-156.0-166.8 175.2 1.7 47.8 -1.9 51 162 A S E -E 43 0C 23 -8,-1.3 -8,-1.4 -2,-0.3 2,-0.6 -0.869 9.3-150.6-165.4 129.0 -0.3 46.4 1.1 52 163 A V E -EF 42 67C 3 15,-2.7 15,-2.7 -2,-0.3 2,-0.4 -0.940 18.5-152.6-108.1 113.6 0.9 44.5 4.1 53 164 A D E -EF 41 66C 46 -12,-2.8 -12,-2.0 -2,-0.6 2,-0.4 -0.752 8.5-154.6 -92.3 133.4 -1.9 42.1 5.4 54 165 A X E -EF 40 65C 6 11,-3.0 11,-1.1 -2,-0.4 2,-0.9 -0.949 49.2 -23.8-118.4 126.1 -1.9 41.2 9.1 55 166 A E E + F 0 64C 41 -16,-3.7 2,-2.7 -2,-0.4 9,-0.2 -0.725 43.2 172.9 90.8 -88.4 -3.4 38.0 10.9 56 167 A V E S+ F 0 63C 72 7,-2.6 7,-1.4 -2,-0.9 2,-0.6 -0.506 85.8 36.1 74.5 -72.4 -6.2 36.1 9.1 57 168 A L S S+ 0 0 136 -2,-2.7 2,-0.3 5,-0.2 -2,-0.1 -0.904 98.6 78.4-115.1 105.6 -6.0 33.4 11.8 58 169 A R S >> S- 0 0 125 -2,-0.6 4,-1.4 1,-0.1 3,-0.6 -0.911 85.5 -21.1-176.2-167.2 -5.3 34.8 15.3 59 170 A N T 34 S+ 0 0 139 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 -0.134 111.0 56.6 -54.3 154.4 -7.1 36.5 18.1 60 171 A G T 34 S- 0 0 64 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.405 122.8 -85.6 98.4 0.7 -10.3 38.3 17.3 61 172 A V T <4 S- 0 0 138 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.958 93.8 -33.7 62.0 57.5 -11.8 35.1 15.8 62 173 A K S < S+ 0 0 115 -4,-1.4 2,-0.3 1,-0.1 -5,-0.2 0.755 75.7 168.2 68.7 122.7 -10.3 35.5 12.3 63 174 A V E -F 56 0C 56 -7,-1.4 -7,-2.6 -4,-0.1 2,-0.6 -0.926 27.9-141.3-165.3 135.3 -9.8 38.9 10.6 64 175 A V E -F 55 0C 95 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.1 -0.910 26.3-174.5-104.2 118.0 -8.0 40.2 7.6 65 176 A R E -F 54 0C 89 -11,-1.1 -11,-3.0 -2,-0.6 2,-0.5 -0.951 13.9-149.8-120.2 139.9 -6.3 43.6 8.1 66 177 A S E +F 53 0C 73 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.850 17.1 177.8-109.3 128.6 -4.4 45.9 5.7 67 178 A L E -F 52 0C 10 -15,-2.7 -15,-2.7 -2,-0.5 -61,-0.0 -0.908 26.1-153.7-125.4 156.2 -1.6 48.2 6.6 68 179 A K - 0 0 125 -2,-0.3 -64,-0.3 -17,-0.2 -2,-0.0 -0.625 27.5-157.7-126.3 69.9 0.6 50.5 4.7 69 180 A P - 0 0 3 0, 0.0 -64,-0.2 0, 0.0 3,-0.1 -0.211 14.8-165.6 -51.0 132.8 3.7 50.5 7.0 70 181 A D S S+ 0 0 71 -66,-2.9 2,-0.3 1,-0.3 -65,-0.2 0.585 78.5 8.6 -92.3 -18.3 5.9 53.6 6.5 71 182 A F E -b 5 0A 7 -67,-1.4 -65,-3.0 28,-0.1 2,-0.3 -0.972 67.9-145.8-158.6 156.6 8.7 51.8 8.4 72 183 A V E -bc 6 101A 0 28,-1.7 30,-1.2 -2,-0.3 2,-0.5 -0.963 2.2-160.6-131.8 144.2 9.5 48.3 9.8 73 184 A L E -bc 7 102A 0 -67,-2.1 -65,-2.4 -2,-0.3 2,-0.9 -0.983 15.9-155.4-122.6 112.3 11.5 47.2 12.9 74 185 A I E +b 8 0A 1 28,-2.4 -65,-0.1 -2,-0.5 4,-0.1 -0.799 31.0 153.7 -99.6 105.8 12.6 43.5 12.5 75 186 A R + 0 0 19 -67,-2.2 2,-0.3 -2,-0.9 -65,-0.2 0.191 54.5 77.5-111.1 11.5 13.1 41.9 15.9 76 187 A Q S S- 0 0 25 -68,-0.3 2,-0.3 -67,-0.1 192,-0.1 -0.903 88.5 -98.4-125.7 151.6 12.4 38.3 14.8 77 188 A H - 0 0 49 -2,-0.3 -40,-0.1 190,-0.2 -2,-0.1 -0.542 27.4-152.6 -69.6 127.9 14.5 35.7 12.8 78 189 A A S S+ 0 0 10 -2,-0.3 9,-2.3 30,-0.2 2,-0.3 0.655 70.3 27.4 -76.5 -18.8 13.5 35.7 9.2 79 190 A F E +G 86 0D 31 7,-0.2 2,-0.2 8,-0.2 7,-0.2 -0.995 53.1 161.9-151.4 139.6 14.5 32.0 8.3 80 191 A S E > -G 85 0D 6 5,-1.4 5,-1.1 -2,-0.3 4,-0.2 -0.823 33.0-146.3-160.1 121.4 14.8 28.6 10.0 81 192 A X T 5S+ 0 0 92 80,-1.3 2,-0.3 -2,-0.2 81,-0.1 0.299 94.9 35.5 -67.0 12.3 14.9 25.1 8.6 82 193 A A T 5S- 0 0 55 79,-0.2 3,-0.1 3,-0.1 -1,-0.1 -0.897 121.9 -8.0-168.4 135.8 13.0 24.1 11.8 83 194 A R T 5S+ 0 0 244 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 0.862 121.7 49.6 39.1 70.2 10.4 25.6 14.1 84 195 A N T 5S- 0 0 53 -4,-0.2 -1,-0.2 -6,-0.0 2,-0.2 -0.221 91.6-134.2 175.2 -64.8 10.1 29.1 12.6 85 196 A G E < -G 80 0D 26 -5,-1.1 -5,-1.4 -3,-0.1 2,-0.7 -0.498 27.2 -62.4 115.0 172.9 9.6 29.0 8.9 86 197 A D E +G 79 0D 98 -7,-0.2 3,-0.2 -2,-0.2 -7,-0.2 -0.867 50.4 156.2-103.6 101.4 10.9 30.6 5.6 87 198 A Y >> + 0 0 39 -9,-2.3 4,-2.1 -2,-0.7 3,-0.5 0.173 41.2 110.1-107.9 12.0 10.1 34.3 5.6 88 199 A R H 3> S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 76.4 55.8 -56.4 -36.3 12.8 35.2 3.1 89 200 A S H 3> S+ 0 0 79 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 105.3 51.7 -66.9 -33.8 10.1 35.9 0.5 90 201 A L H <> S+ 0 0 16 -3,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.920 108.5 50.4 -67.5 -43.5 8.4 38.4 2.9 91 202 A V H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.956 112.0 48.4 -57.6 -46.0 11.8 40.2 3.4 92 203 A I H X S+ 0 0 78 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.905 111.3 51.1 -60.2 -40.6 12.1 40.2 -0.4 93 204 A G H X S+ 0 0 11 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.912 108.7 49.9 -65.5 -41.8 8.5 41.6 -0.6 94 205 A L H <>S+ 0 0 6 -4,-3.0 5,-1.8 2,-0.2 4,-0.3 0.919 113.1 46.4 -64.4 -40.7 9.2 44.3 1.9 95 206 A Q H ><5S+ 0 0 97 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.926 109.4 54.4 -65.4 -43.0 12.3 45.4 -0.1 96 207 A Y H 3<5S+ 0 0 150 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.857 107.5 52.1 -57.9 -33.5 10.3 45.2 -3.4 97 208 A A T 3<5S- 0 0 14 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.504 111.4-125.8 -82.5 -5.2 7.9 47.6 -1.7 98 209 A G T < 5 + 0 0 55 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.693 48.8 164.5 69.1 23.1 10.7 50.0 -0.8 99 210 A I < - 0 0 6 -5,-1.8 -1,-0.2 1,-0.1 6,-0.2 -0.596 37.4-124.1 -79.9 121.0 9.8 50.0 2.9 100 211 A P - 0 0 52 0, 0.0 -28,-1.7 0, 0.0 2,-0.3 -0.284 38.7-174.6 -59.6 147.0 12.7 51.5 5.1 101 212 A S E -c 72 0A 17 -30,-0.2 2,-0.4 -28,-0.0 -28,-0.2 -0.937 26.7-112.0-146.7 163.5 13.8 49.1 7.9 102 213 A I E S+c 73 0A 0 -30,-1.2 -28,-2.4 -2,-0.3 2,-0.1 -0.963 112.3 24.5-139.2 113.0 16.0 48.5 11.0 103 214 A N S S- 0 0 1 -2,-0.4 -1,-0.2 -30,-0.2 -29,-0.2 0.705 120.3 -97.8 -74.0 173.8 18.0 46.6 10.5 104 215 A S > - 0 0 38 138,-0.5 4,-2.4 1,-0.2 5,-0.2 -0.198 23.7-124.3 -56.8 147.4 18.2 47.2 6.7 105 216 A L H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.831 113.1 60.9 -61.2 -32.0 16.2 44.7 4.7 106 217 A H H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 108.2 41.4 -59.9 -47.1 19.4 44.0 2.8 107 218 A S H > S+ 0 0 1 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.906 113.1 54.0 -69.2 -39.3 21.2 42.9 6.1 108 219 A V H >< S+ 0 0 14 -4,-2.4 3,-0.6 1,-0.2 4,-0.3 0.930 111.1 45.6 -59.5 -46.3 18.1 40.9 7.2 109 220 A Y H >< S+ 0 0 93 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.928 114.1 48.3 -62.3 -48.0 18.0 39.0 3.9 110 221 A N H >< S+ 0 0 21 -4,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.597 101.7 65.2 -69.0 -13.9 21.8 38.4 4.0 111 222 A F T << S+ 0 0 36 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.498 75.4 93.4 -85.9 -3.2 21.5 37.2 7.6 112 223 A C T < S+ 0 0 2 -3,-1.5 2,-0.6 -4,-0.3 -1,-0.2 0.687 82.1 52.5 -65.7 -18.1 19.4 34.2 6.4 113 224 A D S X> S- 0 0 41 -3,-0.6 4,-1.9 1,-0.2 3,-1.4 -0.910 72.5-157.7-120.4 107.9 22.5 31.9 6.2 114 225 A K H 3> S+ 0 0 60 -2,-0.6 4,-2.5 1,-0.3 -1,-0.2 0.862 94.0 49.6 -49.0 -48.2 24.6 31.9 9.3 115 226 A P H 3> S+ 0 0 18 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.730 106.3 57.4 -66.1 -23.9 27.8 30.7 7.5 116 227 A W H <> S+ 0 0 130 -3,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.897 110.2 44.3 -69.7 -41.1 27.3 33.5 4.9 117 228 A V H >X S+ 0 0 6 -4,-1.9 4,-1.0 1,-0.2 3,-0.6 0.908 113.3 51.4 -66.3 -39.4 27.3 35.9 7.9 118 229 A F H 3X S+ 0 0 18 -4,-2.5 4,-1.8 1,-0.2 3,-0.5 0.879 98.9 64.5 -66.3 -35.7 30.3 34.1 9.3 119 230 A A H 3X S+ 0 0 42 -4,-2.2 4,-1.6 1,-0.3 -1,-0.2 0.883 98.6 55.4 -56.4 -32.4 32.1 34.3 6.0 120 231 A Q H X - 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