==== 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 06-SEP-97 1AUX . COMPND 2 MOLECULE: SYNAPSIN IA; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR L.ESSER,C.WANG,J.DEISENHOFER . 584 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 71.6 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 . 122 20.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 65 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 22.4 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 2 0 2 0 0 0 3 1 0 0 2 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 6 2 4 2 2 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 0 128 0, 0.0 28,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 151.2 -1.5 62.7 8.6 2 113 A A - 0 0 59 26,-0.2 2,-0.5 28,-0.0 28,-0.2 -0.463 360.0-128.8-104.2 173.2 0.1 59.7 10.3 3 114 A R E -a 30 0A 106 26,-3.0 28,-2.3 -2,-0.1 2,-0.4 -0.977 16.3-146.2-123.6 120.4 2.8 57.1 9.8 4 115 A V E -a 31 0A 32 -2,-0.5 66,-2.9 64,-0.4 67,-0.9 -0.745 12.2-168.3 -87.3 132.4 2.3 53.4 10.1 5 116 A L E -ab 32 71A 0 26,-2.6 28,-2.5 -2,-0.4 2,-0.5 -0.984 8.6-153.3-121.6 116.7 5.2 51.4 11.5 6 117 A L E -ab 33 72A 2 65,-2.7 67,-2.3 -2,-0.5 2,-0.6 -0.824 8.4-164.1 -91.9 126.5 4.9 47.6 11.1 7 118 A V E -ab 34 73A 0 26,-2.6 28,-2.0 -2,-0.5 2,-1.3 -0.960 7.8-153.7-111.8 116.6 6.9 45.8 13.8 8 119 A I E +ab 35 74A 2 65,-3.0 67,-1.9 -2,-0.6 68,-0.5 -0.750 47.8 121.9 -92.2 91.8 7.5 42.2 13.0 9 120 A D - 0 0 7 26,-1.4 67,-0.1 -2,-1.3 -2,-0.1 -0.974 70.0 -86.6-147.1 156.4 7.8 40.7 16.5 10 121 A E > - 0 0 98 -2,-0.3 3,-1.4 65,-0.2 25,-0.1 -0.411 51.8-104.7 -60.1 145.9 6.2 38.0 18.6 11 122 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.755 103.6 92.0 -43.0 -32.0 3.1 39.4 20.5 12 123 A H T 3 S+ 0 0 156 2,-0.1 2,-0.6 1,-0.1 -2,-0.0 0.569 74.9 59.7 -42.1 -32.7 5.2 39.4 23.7 13 124 A T S < S- 0 0 20 -3,-1.4 2,-2.1 4,-0.0 3,-0.2 -0.929 77.8-141.7-108.9 114.8 6.6 43.0 23.5 14 125 A D >> + 0 0 90 -2,-0.6 4,-1.0 1,-0.2 3,-1.0 -0.479 28.3 171.7 -73.6 82.3 3.9 45.7 23.4 15 126 A W H 3> S+ 0 0 0 -2,-2.1 4,-2.0 1,-0.2 3,-0.4 0.891 70.1 66.3 -62.6 -37.1 5.7 48.0 20.9 16 127 A A H 34 S+ 0 0 43 1,-0.3 -1,-0.2 2,-0.2 4,-0.2 0.844 99.4 55.8 -51.6 -35.1 2.6 50.4 20.6 17 128 A K H X4 S+ 0 0 98 -3,-1.0 3,-1.1 1,-0.2 -1,-0.3 0.937 107.7 45.7 -62.7 -50.8 3.3 51.3 24.3 18 129 A Y H 3< S+ 0 0 34 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.797 114.4 47.0 -67.3 -28.9 6.9 52.3 23.7 19 130 A F T >< S+ 0 0 4 -4,-2.0 3,-1.2 2,-0.1 -1,-0.3 0.402 84.4 129.9 -90.0 0.3 6.1 54.4 20.6 20 131 A K T < S+ 0 0 160 -3,-1.1 3,-0.1 -5,-0.3 -3,-0.1 -0.359 80.8 0.9 -59.8 127.3 3.2 56.0 22.5 21 132 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 9,-0.1 -1,-0.3 0.156 91.7 134.0 82.0 -18.5 3.4 59.7 22.1 22 133 A K < - 0 0 95 -3,-1.2 8,-0.6 8,-0.1 2,-0.5 -0.487 37.9-164.2 -68.9 124.4 6.5 59.8 19.9 23 134 A K E > -D 29 0B 95 -2,-0.3 3,-1.9 6,-0.1 2,-0.3 -0.951 20.3-122.3-117.8 130.5 5.9 62.2 17.1 24 135 A I E >> S-D 28 0B 5 4,-2.2 4,-2.6 -2,-0.5 3,-1.9 -0.534 101.5 -0.4 -67.8 126.2 7.9 62.5 13.9 25 136 A H T 34 S- 0 0 120 -2,-0.3 -1,-0.3 1,-0.3 263,-0.0 0.760 127.0 -73.7 63.0 25.1 9.3 66.1 13.6 26 137 A G T <4 S+ 0 0 56 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.494 132.9 54.0 68.0 2.9 7.5 66.7 16.8 27 138 A E T <4 S+ 0 0 120 -3,-1.9 -2,-0.2 1,-0.1 2,-0.2 0.670 79.9 77.4-134.0 -41.0 4.1 66.7 15.0 28 139 A I E < S-D 24 0B 42 -4,-2.6 -4,-2.2 -5,-0.1 2,-0.2 -0.537 70.3-133.6 -75.9 147.4 3.3 63.6 12.8 29 140 A D E -D 23 0B 81 -28,-0.4 -26,-3.0 -6,-0.2 2,-0.6 -0.611 2.3-131.6-103.2 165.4 2.2 60.5 14.7 30 141 A I E -a 3 0A 20 -8,-0.6 2,-0.6 -11,-0.3 -26,-0.2 -0.932 7.9-158.3-119.0 109.0 3.1 56.9 14.4 31 142 A K E -a 4 0A 104 -28,-2.3 -26,-2.6 -2,-0.6 2,-0.8 -0.794 21.1-145.2 -80.3 120.9 0.4 54.2 14.3 32 143 A V E -a 5 0A 14 -2,-0.6 2,-0.4 -28,-0.2 -26,-0.2 -0.814 18.7-176.4 -96.7 110.1 2.1 51.0 15.5 33 144 A E E -a 6 0A 22 -28,-2.5 -26,-2.6 -2,-0.8 2,-0.4 -0.888 9.2-173.0-101.3 134.6 1.0 47.9 13.7 34 145 A Q E +a 7 0A 24 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.994 15.6 141.1-136.5 133.2 2.6 44.7 15.0 35 146 A A E -a 8 0A 1 -28,-2.0 -26,-1.4 -2,-0.4 2,-0.2 -0.947 44.9-102.3-156.9 169.4 2.4 41.0 13.9 36 147 A E > - 0 0 50 -2,-0.3 3,-0.9 -28,-0.2 19,-0.2 -0.636 40.1-106.8 -94.6 163.3 4.6 38.0 13.5 37 148 A F G > S+ 0 0 0 1,-0.2 3,-1.7 -2,-0.2 -1,-0.1 0.904 117.6 60.5 -53.8 -45.3 6.0 36.9 10.1 38 149 A S G 3 S+ 0 0 43 1,-0.3 -1,-0.2 17,-0.0 18,-0.1 0.761 100.7 53.4 -54.0 -33.2 3.5 34.0 10.0 39 150 A D G < S+ 0 0 16 -3,-0.9 16,-3.2 17,-0.1 2,-0.3 0.078 100.9 82.3 -92.4 23.7 0.5 36.3 10.1 40 151 A L E < +E 54 0C 11 -3,-1.7 2,-0.3 14,-0.2 14,-0.2 -0.927 40.8 156.5-134.1 151.8 1.6 38.4 7.2 41 152 A N E -E 53 0C 96 12,-1.6 12,-3.4 -2,-0.3 2,-0.3 -0.914 15.3-172.4-154.7 175.5 1.6 38.4 3.4 42 153 A L E -E 52 0C 30 -2,-0.3 2,-0.4 10,-0.3 10,-0.2 -0.995 23.8-140.0-170.2 163.6 1.8 41.1 0.7 43 154 A V E -E 51 0C 75 8,-2.2 8,-2.1 -2,-0.3 2,-0.4 -0.985 23.7-170.3-130.9 135.9 1.7 42.1 -3.0 44 155 A A E -E 50 0C 22 -2,-0.4 2,-0.4 6,-0.2 6,-0.2 -0.991 5.3-157.9-129.8 138.4 4.2 44.6 -4.3 45 156 A H > - 0 0 94 4,-2.5 3,-1.6 -2,-0.4 -2,-0.0 -0.923 21.8-132.7-116.9 146.2 4.1 46.3 -7.7 46 157 A A T 3 S+ 0 0 92 -2,-0.4 -1,-0.1 1,-0.3 4,-0.0 0.690 105.3 65.9 -68.3 -21.3 7.1 47.9 -9.5 47 158 A N T 3 S- 0 0 141 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.482 125.6 -98.1 -78.2 -4.7 5.1 51.0 -10.2 48 159 A G S < S+ 0 0 45 -3,-1.6 -2,-0.1 1,-0.4 -3,-0.1 -0.146 83.4 122.2 118.7 -41.1 5.1 51.7 -6.5 49 160 A G + 0 0 27 -5,-0.1 -4,-2.5 1,-0.0 -1,-0.4 -0.137 31.7 155.4 -57.5 151.6 1.7 50.3 -5.2 50 161 A F E -E 44 0C 31 -6,-0.2 2,-0.3 -4,-0.0 -6,-0.2 -0.981 27.5-156.3-167.2 169.5 1.6 47.7 -2.5 51 162 A S E -E 43 0C 37 -8,-2.1 -8,-2.2 -2,-0.3 2,-0.4 -0.904 8.0-155.0-159.6 125.8 -0.5 46.1 0.2 52 163 A V E -EF 42 67C 3 15,-2.1 15,-1.8 -2,-0.3 2,-0.4 -0.823 17.0-144.4-100.6 146.9 0.6 44.1 3.2 53 164 A D E -EF 41 66C 42 -12,-3.4 -12,-1.6 -2,-0.4 2,-0.4 -0.973 9.5-153.8-122.2 129.5 -1.8 41.7 4.8 54 165 A M E +EF 40 65C 4 11,-3.4 11,-1.8 -2,-0.4 -14,-0.2 -0.845 60.5 24.1-109.5 138.1 -2.2 40.9 8.5 55 166 A E + 0 0 26 -16,-3.2 3,-0.4 -2,-0.4 -15,-0.2 0.885 41.2 172.5 83.9 54.4 -3.4 37.8 10.3 56 167 A V S S- 0 0 72 1,-0.3 2,-0.3 -3,-0.2 -17,-0.1 0.900 92.7 -2.1 -52.8 -33.5 -3.1 34.7 8.2 57 168 A L S S+ 0 0 107 5,-0.1 -1,-0.3 6,-0.0 2,-0.3 -0.840 100.1 104.2-160.9 111.2 -4.2 33.1 11.5 58 169 A R > - 0 0 90 -3,-0.4 4,-1.2 1,-0.4 6,-0.1 -0.956 69.4 -61.0-173.1 173.8 -4.8 35.0 14.8 59 170 A N T >4 S+ 0 0 142 -2,-0.3 3,-2.9 1,-0.2 -1,-0.4 0.831 97.3 77.0 -34.3-117.8 -7.5 36.3 17.1 60 171 A G T 34 S- 0 0 53 1,-0.3 -1,-0.2 3,-0.1 4,-0.1 0.472 127.7 -76.1 0.2 46.5 -10.0 38.9 15.7 61 172 A V T 34 - 0 0 130 -2,-0.1 2,-1.0 2,-0.1 -1,-0.3 0.845 69.2-100.8 43.8 41.7 -11.8 36.0 13.9 62 173 A K S << S+ 0 0 109 -3,-2.9 2,-3.2 -4,-1.2 3,-0.1 -0.342 70.4 152.0 53.1 -90.6 -8.8 36.1 11.5 63 174 A V - 0 0 121 -2,-1.0 -1,-0.2 1,-0.1 -2,-0.1 -0.237 54.4-122.1 65.6 -53.0 -10.5 38.0 8.6 64 175 A V - 0 0 65 -2,-3.2 2,-0.4 -4,-0.1 -9,-0.2 0.794 24.6-151.9 81.6 108.7 -7.1 39.5 7.5 65 176 A R E -F 54 0C 108 -11,-1.8 -11,-3.4 -3,-0.1 2,-0.3 -0.908 6.3-141.9-112.7 137.7 -6.6 43.2 7.3 66 177 A S E +F 53 0C 69 -2,-0.4 2,-0.3 -13,-0.3 -13,-0.2 -0.656 22.3 174.4 -95.6 151.3 -4.2 45.0 5.0 67 178 A L E -F 52 0C 19 -15,-1.8 -15,-2.1 -2,-0.3 -61,-0.0 -0.805 30.6-122.7-139.8 179.5 -2.2 48.0 5.9 68 179 A K - 0 0 113 -2,-0.3 -64,-0.4 -17,-0.2 -17,-0.0 -0.779 25.2-153.3-135.5 92.9 0.5 50.1 4.3 69 180 A P - 0 0 3 0, 0.0 -64,-0.2 0, 0.0 3,-0.1 -0.334 12.9-167.8 -64.1 145.0 3.7 50.3 6.4 70 181 A D S S+ 0 0 53 -66,-2.9 2,-0.3 1,-0.4 -65,-0.2 0.527 81.7 7.8-103.8 -17.0 5.8 53.4 5.9 71 182 A F E -b 5 0A 8 -67,-0.9 -65,-2.7 28,-0.2 -1,-0.4 -0.965 69.6-146.0-159.4 155.5 8.6 51.7 7.9 72 183 A V E -bc 6 101A 0 28,-2.0 30,-1.6 -2,-0.3 2,-0.5 -0.970 3.2-161.7-132.7 143.0 9.3 48.2 9.3 73 184 A L E -bc 7 102A 0 -67,-2.3 -65,-3.0 -2,-0.4 2,-0.9 -0.985 14.6-157.9-124.6 110.2 11.1 47.1 12.4 74 185 A I E +b 8 0A 0 28,-2.3 -65,-0.1 -2,-0.5 -67,-0.1 -0.838 26.9 159.4 -97.0 104.9 12.1 43.4 12.1 75 186 A R + 0 0 21 -67,-1.9 2,-0.3 -2,-0.9 -65,-0.2 0.262 57.2 76.5-104.8 11.4 12.6 41.9 15.5 76 187 A Q S S- 0 0 33 -68,-0.5 2,-0.1 -67,-0.1 192,-0.1 -0.879 86.0-104.0-125.0 148.1 12.1 38.3 14.3 77 188 A H - 0 0 76 -2,-0.3 -40,-0.1 190,-0.2 10,-0.1 -0.433 21.5-151.1 -68.2 150.6 14.4 35.9 12.3 78 189 A A S S+ 0 0 7 30,-0.2 9,-2.0 1,-0.1 10,-0.5 0.650 73.8 42.5 -98.4 -16.8 13.4 35.4 8.6 79 190 A F B +G 86 0D 36 7,-0.2 2,-0.3 8,-0.2 7,-0.2 -0.982 50.3 157.4-135.8 145.7 14.7 31.9 8.1 80 191 A S - 0 0 33 5,-1.8 5,-0.3 -2,-0.4 82,-0.2 -0.843 37.4-137.9-162.9 121.6 14.6 28.7 10.1 81 192 A M S S+ 0 0 90 80,-1.2 3,-0.1 -2,-0.3 81,-0.1 0.604 77.3 104.0 -61.8 -11.2 14.9 25.2 8.5 82 193 A A S > S- 0 0 66 79,-0.2 3,-2.0 1,-0.2 -2,-0.2 -0.388 93.6 -71.4 -68.9 151.9 12.1 24.1 10.8 83 194 A R T 3 S+ 0 0 240 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 -0.101 117.4 5.8 -48.5 135.5 8.7 23.7 9.1 84 195 A N T 3 S+ 0 0 142 1,-0.1 2,-1.5 -3,-0.1 -1,-0.3 0.246 92.8 120.3 73.3 -8.7 6.9 26.9 8.1 85 196 A G < + 0 0 12 -3,-2.0 -5,-1.8 -5,-0.3 2,-0.4 -0.181 38.8 108.7 -82.5 49.0 9.9 29.0 9.1 86 197 A D B +G 79 0D 92 -2,-1.5 3,-0.3 -7,-0.2 -7,-0.2 -0.685 19.4 142.6-130.1 87.7 10.5 30.5 5.7 87 198 A Y >> + 0 0 48 -9,-2.0 3,-1.9 -2,-0.4 4,-1.7 0.273 36.7 113.1-107.1 13.5 9.7 34.2 5.4 88 199 A R H 3> S+ 0 0 59 -10,-0.5 4,-2.5 1,-0.3 -1,-0.2 0.861 75.2 57.1 -53.2 -38.1 12.5 35.1 3.1 89 200 A S H 3> S+ 0 0 79 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.712 103.1 55.2 -67.3 -23.9 9.9 35.8 0.3 90 201 A L H <> S+ 0 0 14 -3,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.892 107.0 48.7 -75.0 -40.8 8.3 38.3 2.7 91 202 A V H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.968 112.0 48.7 -61.2 -50.3 11.6 40.1 3.1 92 203 A I H X S+ 0 0 78 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.914 110.9 53.1 -53.8 -42.8 12.1 40.2 -0.7 93 204 A G H X S+ 0 0 10 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.903 108.3 47.7 -61.7 -43.3 8.5 41.4 -0.9 94 205 A L H X>S+ 0 0 5 -4,-2.6 5,-1.9 2,-0.2 4,-0.7 0.888 113.6 47.6 -66.3 -38.0 9.1 44.3 1.5 95 206 A Q H ><5S+ 0 0 97 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.894 110.5 52.4 -67.8 -39.4 12.3 45.2 -0.4 96 207 A Y H 3<5S+ 0 0 146 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.860 109.0 50.6 -64.5 -34.3 10.3 45.0 -3.6 97 208 A A H 3<5S- 0 0 17 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.614 111.1-126.0 -79.6 -14.3 7.8 47.3 -2.1 98 209 A G T <<5 + 0 0 53 -3,-0.7 -3,-0.2 -4,-0.7 -2,-0.1 0.691 48.3 163.1 77.8 22.9 10.5 49.8 -1.1 99 210 A I < - 0 0 7 -5,-1.9 -1,-0.2 1,-0.1 6,-0.2 -0.564 39.8-121.0 -80.2 124.9 9.6 50.0 2.6 100 211 A P - 0 0 51 0, 0.0 -28,-2.0 0, 0.0 2,-0.3 -0.346 40.4-170.5 -60.8 147.9 12.4 51.4 4.8 101 212 A S E -c 72 0A 16 -30,-0.2 2,-0.4 -28,-0.1 -28,-0.2 -0.951 24.4-114.7-146.9 160.6 13.5 49.0 7.5 102 213 A I E S+c 73 0A 1 -30,-1.6 -28,-2.3 -2,-0.3 2,-0.2 -0.973 111.8 23.8-136.7 113.2 15.6 48.4 10.7 103 214 A N S S- 0 0 1 -2,-0.4 -1,-0.2 -30,-0.2 -29,-0.2 0.749 120.2 -98.1 -75.1 175.3 17.6 46.6 10.2 104 215 A S > - 0 0 36 138,-0.4 4,-2.4 -2,-0.2 5,-0.2 -0.218 25.7-123.5 -53.2 147.2 17.9 47.2 6.5 105 216 A L H > S+ 0 0 6 1,-0.2 4,-2.6 -6,-0.2 5,-0.2 0.844 112.1 61.5 -64.3 -30.7 16.0 44.6 4.5 106 217 A H H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.956 107.6 41.3 -60.5 -49.1 19.3 43.9 2.7 107 218 A S H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.936 112.6 54.6 -65.1 -44.3 21.0 42.8 6.0 108 219 A V H < S+ 0 0 15 -4,-2.4 3,-0.2 1,-0.2 -30,-0.2 0.897 111.0 46.7 -57.2 -39.7 17.9 40.9 7.1 109 220 A Y H >< S+ 0 0 94 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.923 112.2 48.2 -70.2 -42.2 18.0 39.0 3.8 110 221 A N H >< S+ 0 0 21 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.667 101.3 66.5 -74.6 -9.7 21.7 38.3 4.0 111 222 A F T 3< S+ 0 0 35 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.489 74.5 93.1 -86.5 -0.5 21.3 37.1 7.6 112 223 A C T < S+ 0 0 2 -3,-1.5 2,-0.4 1,-0.2 -1,-0.2 0.582 83.5 51.1 -70.6 -9.8 19.2 34.1 6.4 113 224 A D S X> S- 0 0 42 -3,-0.7 4,-1.7 1,-0.1 3,-1.3 -0.930 72.1-157.6-130.6 107.3 22.3 31.9 6.2 114 225 A K H 3> S+ 0 0 57 -2,-0.4 4,-2.9 1,-0.3 5,-0.2 0.867 94.2 49.7 -51.2 -47.1 24.4 31.8 9.4 115 226 A P H 3> S+ 0 0 21 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.701 106.9 57.8 -67.1 -20.5 27.6 30.7 7.7 116 227 A W H <> S+ 0 0 125 -3,-1.3 4,-0.7 2,-0.2 -2,-0.2 0.873 110.3 43.0 -73.2 -38.0 27.1 33.4 5.2 117 228 A V H >X S+ 0 0 6 -4,-1.7 4,-1.1 1,-0.2 3,-1.1 0.929 113.6 51.1 -70.3 -43.5 27.1 35.9 8.1 118 229 A F H 3X S+ 0 0 17 -4,-2.9 4,-1.9 1,-0.3 -2,-0.2 0.857 99.0 65.9 -62.5 -34.3 30.1 34.1 9.7 119 230 A A H 3X S+ 0 0 44 -4,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.834 98.6 53.8 -57.9 -31.1 31.9 34.4 6.3 120 231 A Q H X - 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