==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-APR-10 3MTG . COMPND 2 MOLECULE: PUTATIVE ADENOSYLHOMOCYSTEINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.WISNIEWSKA,M.I.SIPONEN,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA . 853 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 619 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 109 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 63 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.7 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 1 4 2 1 4 7 1 7 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 5 5 8 4 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 0 0 4 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 0 0 1 3 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 1 101 A G 0 0 136 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.6 46.1 8.9 6.2 2 102 A S - 0 0 83 1,-0.1 92,-0.0 90,-0.1 89,-0.0 -0.264 360.0-171.8 -62.7 146.8 47.3 12.1 4.4 3 103 A S + 0 0 106 3,-0.0 2,-2.0 93,-0.0 -1,-0.1 0.241 48.7 121.7-118.7 3.6 46.6 15.6 5.9 4 104 A N + 0 0 43 87,-0.1 2,-0.2 2,-0.0 93,-0.2 -0.479 61.9 61.0 -78.5 75.8 48.0 17.4 2.8 5 105 A F - 0 0 72 -2,-2.0 2,-0.4 91,-0.2 93,-0.2 -0.853 67.3-139.1 176.1 156.5 44.7 19.4 2.0 6 106 A C B +a 98 0A 40 91,-2.3 93,-0.8 -2,-0.2 2,-0.3 -0.856 40.3 141.8-138.7 100.6 42.4 21.9 3.6 7 107 A V - 0 0 30 -2,-0.4 93,-0.1 91,-0.2 -2,-0.0 -0.951 52.3-133.6-134.1 156.6 38.7 21.4 3.1 8 108 A K + 0 0 128 -2,-0.3 2,-1.1 91,-0.3 92,-0.1 0.466 68.1 125.5 -82.1 -4.4 35.6 21.8 5.2 9 109 A N - 0 0 16 75,-0.2 2,-1.9 1,-0.1 3,-0.4 -0.477 45.3-166.4 -83.7 98.4 34.5 18.4 4.1 10 110 A I S S- 0 0 152 -2,-1.1 -1,-0.1 1,-0.3 -2,-0.1 -0.476 83.5 -38.0 -83.7 74.3 33.7 16.0 6.9 11 111 A K S S+ 0 0 97 -2,-1.9 3,-0.3 74,-0.0 -1,-0.3 0.827 95.6 139.5 67.8 43.7 33.6 12.8 5.0 12 112 A Q > + 0 0 66 -3,-0.4 4,-2.2 1,-0.2 77,-0.3 0.396 42.2 97.5 -88.1 -0.7 31.8 14.5 2.0 13 113 A A H > S+ 0 0 19 75,-0.2 4,-2.9 -4,-0.2 5,-0.2 0.873 75.4 53.0 -57.5 -52.3 34.1 12.4 -0.5 14 114 A E H > S+ 0 0 150 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.910 116.1 40.9 -53.6 -47.9 31.6 9.5 -1.3 15 115 A F H > S+ 0 0 94 -4,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.871 115.9 50.2 -66.0 -45.2 28.9 12.1 -2.3 16 116 A G H >X S+ 0 0 0 -4,-2.2 4,-1.4 69,-0.4 3,-0.5 0.832 104.2 57.9 -63.7 -37.3 31.4 14.4 -4.1 17 117 A R H 3X S+ 0 0 64 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.847 100.7 57.7 -62.7 -36.7 32.9 11.4 -6.1 18 118 A R H 3X S+ 0 0 129 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.792 104.6 52.4 -61.4 -34.1 29.4 10.8 -7.5 19 119 A E H < S+ 0 0 89 -4,-2.0 3,-0.9 2,-0.2 4,-0.3 0.912 115.4 47.6 -64.6 -46.6 28.2 12.5 -13.3 23 123 A A H >X S+ 0 0 2 -4,-2.3 3,-2.3 1,-0.2 4,-1.8 0.883 100.9 64.4 -61.6 -45.1 30.6 15.2 -14.8 24 124 A E H 3< S+ 0 0 41 -4,-3.3 7,-0.2 1,-0.3 -1,-0.2 0.679 96.8 58.6 -54.6 -23.0 33.0 12.6 -16.4 25 125 A Q T << S+ 0 0 135 -3,-0.9 -1,-0.3 -4,-0.5 3,-0.3 0.690 112.9 38.8 -78.3 -23.0 30.0 11.6 -18.7 26 126 A D T <4 S+ 0 0 88 -3,-2.3 3,-0.3 -4,-0.3 -2,-0.2 0.629 112.8 55.7 -99.8 -22.4 29.8 15.3 -19.9 27 127 A M >X + 0 0 0 -4,-1.8 3,-1.9 1,-0.2 4,-1.6 -0.125 67.5 137.7 -98.7 30.8 33.6 15.7 -20.0 28 128 A S H 3> + 0 0 59 1,-0.3 4,-1.5 -3,-0.3 -1,-0.2 0.714 66.7 59.9 -48.8 -28.7 33.9 12.6 -22.4 29 129 A A H 3> S+ 0 0 4 -3,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.796 106.4 45.9 -72.3 -31.7 36.5 14.5 -24.5 30 130 A L H <> S+ 0 0 0 -3,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.841 108.9 54.0 -78.7 -37.7 38.8 14.8 -21.4 31 131 A I H X S+ 0 0 59 -4,-1.6 4,-3.1 -7,-0.2 -2,-0.2 0.877 110.6 48.8 -62.2 -36.6 38.4 11.1 -20.5 32 132 A S H X S+ 0 0 29 -4,-1.5 4,-3.3 2,-0.2 5,-0.2 0.960 110.8 48.1 -66.6 -48.9 39.5 10.4 -24.1 33 133 A L H X S+ 0 0 1 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.831 115.2 48.2 -58.5 -33.9 42.5 12.8 -23.8 34 134 A R H >X S+ 0 0 37 -4,-2.3 4,-1.7 2,-0.2 3,-0.6 0.997 115.4 42.4 -65.1 -63.7 43.2 10.9 -20.4 35 135 A K H 3< S+ 0 0 135 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.770 115.0 50.3 -51.8 -43.1 42.8 7.4 -22.0 36 136 A R H 3< S+ 0 0 130 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.829 120.1 32.5 -73.6 -33.9 44.8 8.2 -25.2 37 137 A A H X< S+ 0 0 17 -4,-1.3 3,-1.0 -3,-0.6 -2,-0.2 0.526 92.4 112.0-103.6 -5.2 47.9 9.7 -23.5 38 138 A Q T 3< S+ 0 0 99 -4,-1.7 30,-0.1 1,-0.2 29,-0.0 -0.215 76.0 28.8 -66.3 154.1 47.9 7.6 -20.2 39 139 A G T 3 S+ 0 0 70 28,-0.4 -1,-0.2 1,-0.1 29,-0.1 0.075 113.5 68.2 81.3 -25.8 50.8 5.1 -19.7 40 140 A E S < S- 0 0 138 -3,-1.0 -2,-0.2 -4,-0.0 4,-0.1 0.426 89.3-159.6 -96.4 -5.6 52.9 7.5 -21.8 41 141 A K > - 0 0 128 26,-0.2 3,-1.6 -4,-0.1 -3,-0.1 0.755 14.5-177.1 22.9 74.1 52.6 9.9 -18.8 42 142 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.645 82.5 47.8 -70.6 -11.2 53.4 13.2 -20.7 43 143 A L T > S+ 0 0 0 25,-2.6 3,-2.5 22,-0.1 2,-0.4 0.150 75.9 139.1-111.6 16.5 53.2 15.2 -17.4 44 144 A A T < S+ 0 0 52 -3,-1.6 26,-0.2 24,-0.3 3,-0.1 -0.511 78.2 19.2 -67.0 114.0 55.4 12.7 -15.4 45 145 A G T 3 S+ 0 0 46 24,-0.7 2,-0.3 -2,-0.4 -1,-0.3 0.319 91.6 134.0 105.0 -4.5 57.6 15.1 -13.3 46 146 A A < - 0 0 1 -3,-2.5 25,-2.2 78,-0.1 2,-0.6 -0.646 40.2-161.5 -78.3 131.8 55.3 18.1 -13.7 47 147 A K E -b 71 0B 59 -2,-0.3 77,-3.3 23,-0.2 78,-1.6 -0.914 17.2-166.3-115.8 94.2 54.7 19.9 -10.4 48 148 A I E -bc 72 125B 2 23,-2.3 25,-1.6 -2,-0.6 2,-0.5 -0.777 16.7-165.2 -97.3 129.0 51.5 22.0 -11.0 49 149 A V E -bc 73 126B 0 76,-2.3 78,-1.9 -2,-0.5 2,-0.3 -0.952 23.9-166.2-106.7 113.7 50.3 24.9 -8.8 50 150 A G E -bc 74 127B 0 23,-2.2 25,-1.5 -2,-0.5 2,-0.3 -0.899 25.7-178.2-116.5 148.6 46.7 25.7 -9.8 51 151 A C E +bc 75 128B 0 76,-2.2 78,-1.0 -2,-0.3 2,-0.2 -0.815 39.5 113.7-146.7 93.9 44.1 28.5 -9.1 52 152 A T S S- 0 0 5 23,-1.8 26,-0.2 -2,-0.3 25,-0.2 -0.875 72.5 -64.8-147.8 171.9 40.6 28.0 -10.8 53 153 A H - 0 0 65 -2,-0.2 2,-1.0 23,-0.2 29,-0.1 -0.420 47.1-130.1 -62.5 139.0 37.0 27.4 -9.6 54 154 A I + 0 0 0 4,-0.1 29,-3.2 -2,-0.1 2,-0.3 -0.810 52.1 139.7 -98.6 97.0 36.6 24.0 -7.8 55 155 A T > - 0 0 21 -2,-1.0 4,-2.7 27,-0.2 5,-0.2 -0.818 69.8 -99.4-126.0 168.5 33.6 22.4 -9.6 56 156 A A H > S+ 0 0 14 -2,-0.3 4,-0.7 2,-0.2 -32,-0.1 0.760 125.7 51.2 -62.0 -23.3 32.8 18.8 -10.7 57 157 A Q H >> S+ 0 0 47 2,-0.2 3,-1.2 1,-0.1 4,-1.0 0.970 110.4 45.3 -76.5 -54.9 33.9 19.9 -14.2 58 158 A T H >> S+ 0 0 11 1,-0.3 4,-2.1 2,-0.2 3,-1.1 0.903 106.2 62.6 -53.1 -45.9 37.3 21.4 -13.1 59 159 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.3 -1,-0.3 0.805 98.2 56.0 -48.9 -36.6 37.9 18.3 -10.9 60 160 A V H <>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 3,-0.7 0.933 112.9 46.6 -61.0 -48.2 46.6 16.0 -15.1 66 166 A C H ><5S+ 0 0 45 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.835 112.4 52.1 -62.9 -33.3 47.1 13.6 -12.1 67 167 A A H 3<5S+ 0 0 40 -4,-2.3 -28,-0.4 1,-0.2 -1,-0.2 0.663 103.3 57.7 -75.4 -21.9 46.4 10.7 -14.5 68 168 A L T <<5S- 0 0 0 -4,-1.1 -25,-2.6 -3,-0.7 -24,-0.3 0.257 131.6 -92.8 -94.1 13.1 49.0 12.0 -17.0 69 169 A G T < 5S+ 0 0 25 -3,-0.9 -24,-0.7 1,-0.3 -3,-0.2 0.154 82.1 137.0 100.5 -15.0 51.6 11.7 -14.3 70 170 A A < - 0 0 6 -5,-2.0 2,-0.5 -26,-0.2 -1,-0.3 -0.156 48.5-137.8 -63.7 155.3 51.4 15.3 -12.9 71 171 A Q E -b 47 0B 115 -25,-2.2 -23,-2.3 -28,-0.2 2,-0.3 -0.989 27.8-157.3-117.0 118.3 51.5 16.2 -9.1 72 172 A C E -b 48 0B 12 -2,-0.5 24,-1.1 -25,-0.2 2,-0.3 -0.733 24.6-176.0-106.1 151.7 48.9 18.9 -8.4 73 173 A R E -bd 49 96B 4 -25,-1.6 -23,-2.2 -2,-0.3 2,-0.2 -0.876 29.3-159.8-144.1 99.9 48.4 21.6 -5.5 74 174 A W E +bd 50 97B 1 22,-1.8 24,-1.7 -2,-0.3 2,-0.3 -0.627 19.8 176.6-102.6 152.4 45.1 23.4 -6.0 75 175 A S E -b 51 0B 0 -25,-1.5 -23,-1.8 -2,-0.2 2,-0.4 -0.897 32.3-108.5-138.4 160.3 43.5 26.7 -5.0 76 176 A A - 0 0 0 22,-0.5 -23,-0.2 -2,-0.3 36,-0.1 -0.789 10.5-153.4 -96.5 136.8 40.1 28.6 -5.8 77 177 A C S S+ 0 0 22 -2,-0.4 2,-0.3 -25,-0.2 -24,-0.1 0.593 84.3 46.1 -84.1 -9.2 40.2 31.7 -8.0 78 178 A N S S- 0 0 63 -26,-0.2 4,-0.3 1,-0.0 -26,-0.1 -0.951 73.4-137.7-132.7 149.9 36.9 32.9 -6.2 79 179 A I S S+ 0 0 34 -2,-0.3 24,-2.0 1,-0.1 23,-1.3 0.413 106.2 31.4 -84.7 -0.8 35.9 33.1 -2.5 80 180 A Y S S+ 0 0 165 21,-0.2 -1,-0.1 22,-0.2 21,-0.1 0.579 98.0 79.2-125.3 -27.0 32.3 31.7 -3.3 81 181 A S + 0 0 21 19,-0.1 2,-0.3 20,-0.1 20,-0.1 0.537 62.4 117.2 -68.8 -15.2 32.6 29.4 -6.4 82 182 A T - 0 0 4 -4,-0.3 2,-1.0 18,-0.2 19,-0.2 -0.428 53.4-152.8 -69.7 122.7 33.9 26.2 -4.5 83 183 A Q > - 0 0 90 -29,-3.2 4,-1.5 -2,-0.3 3,-0.5 -0.852 13.6-161.1 -89.9 99.5 31.7 23.1 -4.6 84 184 A N H > S+ 0 0 17 -2,-1.0 4,-1.6 1,-0.2 -75,-0.2 0.856 80.9 64.2 -51.4 -44.5 33.0 21.6 -1.3 85 185 A E H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -69,-0.4 0.865 106.2 42.8 -51.3 -46.7 31.8 18.0 -2.0 86 186 A V H > S+ 0 0 3 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.903 107.2 61.5 -71.6 -38.4 34.2 17.6 -5.0 87 187 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.829 107.2 47.3 -55.3 -32.5 37.0 19.3 -3.0 88 188 A A H X S+ 0 0 6 -4,-1.6 4,-2.8 -3,-0.2 5,-0.3 0.960 109.1 50.1 -72.2 -54.1 36.6 16.3 -0.6 89 189 A A H X S+ 0 0 1 -4,-1.8 4,-1.3 -77,-0.3 -2,-0.2 0.833 113.7 48.4 -53.0 -37.2 36.6 13.6 -3.2 90 190 A L H X>S+ 0 0 0 -4,-2.5 5,-2.0 2,-0.2 4,-0.8 0.864 110.9 48.4 -69.7 -45.2 39.8 15.2 -4.7 91 191 A A H ><5S+ 0 0 9 -4,-1.6 3,-0.8 -5,-0.2 -2,-0.2 0.928 114.9 46.2 -61.9 -43.8 41.5 15.4 -1.2 92 192 A E H 3<5S+ 0 0 151 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.788 108.0 57.7 -66.0 -32.8 40.5 11.7 -0.6 93 193 A A H 3<5S- 0 0 58 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.667 126.5-102.3 -72.6 -17.7 41.8 10.9 -4.2 94 194 A G T <<5S+ 0 0 63 -3,-0.8 -3,-0.2 -4,-0.8 -2,-0.1 0.217 77.2 136.6 114.0 -12.4 45.2 12.3 -3.2 95 195 A V < - 0 0 12 -5,-2.0 2,-1.6 -6,-0.1 -1,-0.4 -0.433 59.9-124.7 -65.4 136.9 45.1 15.8 -4.9 96 196 A A E +d 73 0B 4 -24,-1.1 -22,-1.8 -2,-0.1 2,-0.4 -0.617 43.4 174.0 -85.2 77.3 46.4 18.6 -2.5 97 197 A V E -d 74 0B 0 -2,-1.6 -91,-2.3 -93,-0.2 2,-0.2 -0.728 17.9-175.3 -91.7 136.5 43.3 20.8 -2.7 98 198 A F B +a 6 0A 0 -24,-1.7 -22,-0.5 -2,-0.4 2,-0.3 -0.650 43.4 97.3-130.8 73.3 43.1 23.9 -0.4 99 199 A A + 0 0 0 -93,-0.8 -91,-0.3 -2,-0.2 2,-0.3 -0.995 32.0 166.4-162.2 155.7 39.6 25.4 -0.9 100 200 A W - 0 0 31 -2,-0.3 -18,-0.2 -93,-0.1 3,-0.2 -0.956 43.6 -88.0-162.0 160.9 36.0 25.8 0.4 101 201 A K S S+ 0 0 126 -2,-0.3 -21,-0.2 -19,-0.2 -22,-0.1 -0.548 103.1 38.4 -77.0 142.2 32.9 28.0 -0.1 102 202 A G S S+ 0 0 46 -23,-1.3 2,-0.2 -2,-0.2 -1,-0.2 0.919 74.4 168.2 83.6 50.8 32.8 31.2 2.1 103 203 A E - 0 0 10 -24,-2.0 -1,-0.2 -3,-0.2 2,-0.2 -0.591 27.7-134.7 -89.9 152.8 36.4 32.4 2.2 104 204 A S > - 0 0 55 -2,-0.2 4,-2.0 1,-0.1 -1,-0.0 -0.493 33.3-101.9 -94.4 171.7 37.5 35.8 3.5 105 205 A E H > S+ 0 0 150 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.859 125.9 49.2 -65.3 -31.9 40.0 38.0 1.6 106 206 A D H > S+ 0 0 136 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.846 109.8 50.2 -74.6 -35.5 42.7 36.8 4.1 107 207 A D H > S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.867 104.7 60.5 -66.8 -38.3 41.8 33.1 3.7 108 208 A F H X S+ 0 0 19 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.810 108.0 41.8 -56.8 -40.4 42.0 33.5 -0.1 109 209 A W H X S+ 0 0 86 -4,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.642 108.7 60.9 -86.6 -15.0 45.7 34.5 -0.0 110 210 A W H X S+ 0 0 112 -4,-0.8 4,-1.6 -3,-0.4 -2,-0.2 0.884 108.2 42.9 -72.8 -45.3 46.5 31.8 2.6 111 211 A C H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.859 112.1 53.1 -67.3 -46.1 45.4 28.9 0.2 112 212 A I H >X S+ 0 0 0 -4,-1.2 4,-1.3 1,-0.2 3,-0.6 0.961 113.4 44.4 -56.2 -50.0 47.2 30.5 -2.8 113 213 A D H 3X S+ 0 0 37 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.805 105.8 60.8 -64.3 -35.5 50.4 30.7 -0.7 114 214 A R H 3< S+ 0 0 72 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 105.2 50.4 -59.9 -35.7 49.8 27.1 0.6 115 215 A C H << S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.893 112.3 47.0 -64.3 -47.0 50.1 25.9 -3.1 116 216 A V H < S+ 0 0 6 -4,-1.3 2,-0.4 -5,-0.1 7,-0.3 0.933 112.2 43.2 -67.0 -56.7 53.3 27.8 -3.7 117 217 A N < + 0 0 75 -4,-2.3 2,-0.3 5,-0.1 5,-0.1 -0.833 62.8 132.6-106.8 140.0 55.5 26.9 -0.6 118 218 A M B > -H 121 0C 80 3,-0.5 3,-1.6 -2,-0.4 2,-0.3 -0.908 63.4 -77.3-168.2 155.1 55.9 23.4 1.0 119 219 A D T 3 S- 0 0 164 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.517 117.8 -3.1 -66.3 118.8 58.8 21.2 2.2 120 220 A G T 3 S+ 0 0 51 -2,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.593 105.4 123.5 71.8 15.3 60.5 19.7 -0.9 121 221 A W B < +H 118 0C 23 -3,-1.6 -3,-0.5 2,-0.0 2,-0.4 -0.954 28.8 168.1-115.3 126.9 57.9 21.2 -3.3 122 222 A Q - 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