==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-03 1RQC . COMPND 2 MOLECULE: FORMYLMETHIONINE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR M.A.ROBIEN,K.T.NGUYEN,A.KUMAR,I.HIRSH,S.TURLEY,D.PEI,W.G.HOL . 1730 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 91288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1199 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 343 19.8 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 . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 124 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 253 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 400 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.7 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 6 4 0 0 0 0 1 10 6 2 2 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 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 0 0 0 PARALLEL BRIDGES PER LADDER . 10 0 10 5 15 13 7 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 10 0 10 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 66 A K 0 0 188 0, 0.0 2,-0.2 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 110.9 49.2 35.8 53.1 2 67 A I - 0 0 22 46,-0.1 46,-0.3 1,-0.1 2,-0.1 -0.448 360.0-142.5 -62.9 125.5 45.4 36.4 52.9 3 68 A V - 0 0 12 44,-2.9 2,-0.3 -2,-0.2 -1,-0.1 -0.399 12.9-151.2 -91.2 172.8 43.8 35.4 56.2 4 69 A K > - 0 0 90 -2,-0.1 3,-2.8 90,-0.1 6,-0.2 -0.973 29.0 -52.8-141.9 153.5 40.4 33.7 56.8 5 70 A Y T 3 S+ 0 0 11 88,-2.1 161,-0.2 1,-0.3 0, 0.0 -0.434 114.2 23.3 -59.2 136.4 37.5 33.4 59.3 6 71 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 5,-0.1 -0.495 74.4 134.5-111.6 63.0 37.9 32.7 62.0 7 72 A D X - 0 0 44 -3,-2.8 3,-0.7 1,-0.2 4,-0.1 -0.416 58.8-131.6 -51.9 138.8 41.5 33.8 62.6 8 73 A P G > S+ 0 0 67 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.541 100.1 73.4 -81.5 -4.3 41.1 35.6 65.9 9 74 A I G > S+ 0 0 24 1,-0.2 3,-2.3 2,-0.2 38,-0.1 0.841 82.9 68.4 -71.2 -35.9 43.1 38.6 64.5 10 75 A L G < S+ 0 0 2 -3,-0.7 -1,-0.2 1,-0.3 4,-0.1 0.558 100.6 51.0 -59.1 -6.6 40.1 39.5 62.4 11 76 A R G < S+ 0 0 105 -3,-0.8 2,-0.3 2,-0.1 -1,-0.3 0.271 88.3 98.9-116.7 9.2 38.4 40.4 65.7 12 77 A R S < S- 0 0 139 -3,-2.3 2,-0.6 125,-0.1 128,-0.3 -0.753 82.6-105.3 -98.8 144.5 41.1 42.6 67.2 13 78 A R - 0 0 155 -2,-0.3 126,-0.2 126,-0.2 125,-0.1 -0.571 39.7-127.5 -73.0 113.9 41.0 46.5 67.0 14 79 A S - 0 0 1 124,-2.1 38,-0.3 -2,-0.6 2,-0.2 -0.200 23.3-122.2 -61.5 151.5 43.5 47.6 64.4 15 80 A E B -a 52 0A 125 36,-2.6 38,-2.7 1,-0.1 2,-0.2 -0.651 24.0 -98.9-103.0 152.9 46.0 50.3 65.4 16 81 A E - 0 0 101 -2,-0.2 -1,-0.1 36,-0.2 38,-0.1 -0.442 34.7-120.7 -69.4 137.8 46.7 53.7 63.9 17 82 A V + 0 0 15 36,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.388 34.1 170.9 -66.9 149.2 49.6 54.1 61.6 18 83 A T + 0 0 104 1,-0.2 2,-0.9 -2,-0.1 -1,-0.1 0.529 59.8 66.4-128.3 -38.0 52.2 56.6 62.7 19 84 A N - 0 0 105 1,-0.1 2,-1.2 2,-0.0 -1,-0.2 -0.770 57.6-171.5 -93.8 107.5 55.1 56.2 60.3 20 85 A F + 0 0 57 -2,-0.9 -1,-0.1 95,-0.2 2,-0.0 -0.472 42.4 126.9 -93.9 64.5 54.1 57.4 56.8 21 86 A D S > S- 0 0 56 -2,-1.2 4,-1.0 95,-0.0 95,-0.0 0.007 77.3 -82.0-104.0-157.7 57.3 56.1 55.1 22 87 A D H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.907 122.4 64.3 -78.7 -45.8 58.3 53.9 52.2 23 88 A N H >> S+ 0 0 71 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.931 103.1 52.0 -37.7 -53.2 58.0 50.8 54.2 24 89 A L H 3> S+ 0 0 6 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.891 103.2 55.4 -53.3 -45.8 54.3 51.8 54.3 25 90 A K H 3X S+ 0 0 111 -4,-1.0 4,-2.0 -3,-0.4 -1,-0.2 0.865 110.9 46.6 -59.2 -35.3 54.1 52.2 50.5 26 91 A R H <>S+ 0 0 0 -4,-1.9 5,-1.8 2,-0.2 3,-0.7 0.903 108.5 43.8 -49.6 -55.0 44.0 41.7 46.3 36 101 A Y H ><5S+ 0 0 22 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.953 115.8 49.9 -59.5 -47.8 44.4 41.7 42.5 37 102 A E H 3<5S+ 0 0 150 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.623 106.9 55.4 -66.3 -17.4 45.5 38.0 42.7 38 103 A S T <<5S- 0 0 31 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.055 108.8-117.3-107.5 28.1 42.5 37.0 44.9 39 104 A K T < 5 + 0 0 165 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.734 68.0 146.6 47.0 29.6 39.8 38.2 42.5 40 105 A G < - 0 0 4 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.779 48.7-152.5-106.3 142.0 38.8 40.7 45.3 41 106 A I S S+ 0 0 60 -2,-0.3 17,-1.8 -3,-0.1 2,-0.2 0.870 78.3 13.5 -77.6 -41.2 37.3 44.2 45.0 42 107 A G E -B 57 0B 5 15,-0.2 2,-0.3 -7,-0.1 15,-0.2 -0.764 62.6-169.9-126.3 175.0 38.5 45.7 48.4 43 108 A L E -B 56 0B 0 13,-2.1 13,-2.0 -2,-0.2 2,-0.3 -0.857 7.3-158.4-167.5 137.3 41.0 44.8 51.1 44 109 A S E > -B 55 0B 0 -2,-0.3 3,-0.7 11,-0.2 11,-0.2 -0.748 33.4-109.8-115.3 165.6 42.0 45.9 54.6 45 110 A A G > >S+ 0 0 0 9,-2.0 3,-1.7 7,-0.3 5,-1.5 0.838 114.0 55.1 -66.8 -40.6 45.3 45.3 56.4 46 111 A P G > 5S+ 0 0 2 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 0.788 96.2 71.9 -59.0 -24.2 44.1 42.8 59.1 47 112 A Q G < 5S+ 0 0 2 -3,-0.7 -44,-2.9 1,-0.3 -2,-0.2 0.636 104.5 37.8 -69.4 -10.6 42.9 40.8 56.1 48 113 A V G < 5S- 0 0 17 -3,-1.7 -1,-0.3 -46,-0.3 -46,-0.1 -0.183 133.4 -88.4-125.8 34.0 46.6 40.0 55.3 49 114 A N T < 5S+ 0 0 92 -3,-1.9 2,-0.4 1,-0.1 -2,-0.1 0.828 88.4 123.5 64.5 41.8 47.6 39.7 58.9 50 115 A I < - 0 0 56 -5,-1.5 2,-2.8 2,-0.1 4,-0.2 -0.917 50.7-151.8-132.3 105.5 48.5 43.3 59.9 51 116 A S + 0 0 37 -2,-0.4 -36,-2.6 -5,-0.1 2,-0.3 -0.229 60.3 115.5 -70.6 53.2 46.6 44.9 62.8 52 117 A K B S-a 15 0A 75 -2,-2.8 2,-2.0 -38,-0.3 -7,-0.3 -0.950 77.4-107.9-125.5 147.4 47.0 48.4 61.4 53 118 A R + 0 0 11 -38,-2.7 21,-2.2 -2,-0.3 2,-0.4 -0.460 66.0 134.4 -77.3 74.4 44.2 50.7 60.2 54 119 A I E - C 0 73B 5 -2,-2.0 -9,-2.0 -4,-0.2 2,-0.4 -0.965 27.5-179.0-124.7 141.7 44.8 50.6 56.4 55 120 A I E +BC 44 72B 0 17,-1.2 17,-2.4 -2,-0.4 2,-0.3 -0.995 4.7 172.2-137.7 139.8 42.1 50.2 53.7 56 121 A V E +BC 43 71B 0 -13,-2.0 -13,-2.1 -2,-0.4 2,-0.3 -0.978 4.1 160.7-143.2 157.4 42.5 50.0 49.9 57 122 A W E -BC 42 70B 1 13,-2.1 13,-2.4 -2,-0.3 2,-0.3 -0.992 26.6-145.8-163.0 177.0 40.3 49.2 46.9 58 123 A N E > - C 0 69B 0 -17,-1.8 3,-0.6 -2,-0.3 11,-0.1 -0.925 9.1-156.1-149.6 124.0 39.6 49.3 43.2 59 124 A A T 3 S+ 0 0 31 9,-0.6 2,-0.2 -2,-0.3 3,-0.1 0.806 98.6 32.5 -66.4 -29.7 36.1 49.7 41.6 60 125 A L T > + 0 0 77 8,-0.3 3,-0.9 1,-0.1 -1,-0.3 -0.627 61.3 147.3-133.7 71.2 37.4 48.1 38.4 61 126 A Y G X + 0 0 58 -3,-0.6 3,-1.3 1,-0.2 -1,-0.1 0.578 57.5 93.7 -79.7 -13.3 40.1 45.5 39.2 62 127 A E G 3 S+ 0 0 153 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.803 106.2 22.1 -37.2 -34.3 38.8 43.6 36.2 63 128 A K G < S- 0 0 114 -3,-0.9 -1,-0.3 2,-0.0 -2,-0.1 -0.570 98.7-137.8-142.7 70.1 41.6 45.6 34.7 64 129 A R < + 0 0 168 -3,-1.3 2,-0.3 -2,-0.1 -3,-0.1 0.109 34.4 172.6 -31.5 128.7 44.1 46.6 37.4 65 130 A K > - 0 0 129 -5,-0.0 3,-1.3 0, 0.0 4,-0.2 -0.998 35.0-100.6-154.8 145.0 45.3 50.2 37.0 66 131 A E T 3 S+ 0 0 132 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.255 105.3 4.2 -55.6 140.5 47.2 53.1 38.6 67 132 A E T 3 S+ 0 0 172 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.554 107.9 91.0 58.7 2.4 45.3 55.9 40.4 68 133 A N S < S+ 0 0 54 -3,-1.3 -9,-0.6 2,-0.0 2,-0.3 0.329 75.1 92.3 -91.5 -5.1 42.2 53.8 39.7 69 134 A E E -C 58 0B 28 -4,-0.2 2,-0.4 -11,-0.1 -11,-0.2 -0.683 69.6-154.5 -88.0 138.6 43.4 52.6 43.1 70 135 A R E -C 57 0B 62 -13,-2.4 -13,-2.1 -2,-0.3 2,-0.4 -0.972 9.8-169.6-118.0 133.6 42.0 54.3 46.2 71 136 A I E -C 56 0B 46 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.973 6.8-177.4-125.7 138.5 43.9 54.3 49.5 72 137 A F E -C 55 0B 0 -17,-2.4 -17,-1.2 -2,-0.4 2,-0.4 -0.888 4.3-169.0-139.6 107.5 42.8 55.4 53.0 73 138 A I E S-CD 54 112B 0 39,-2.3 39,-2.9 -2,-0.4 -19,-0.2 -0.773 73.4 -4.4 -97.8 142.8 45.0 55.4 56.1 74 139 A N E S- 0 0 18 -21,-2.2 -1,-0.2 -2,-0.4 -20,-0.1 0.897 87.1-168.2 41.8 61.2 43.5 55.9 59.6 75 140 A P E - 0 0 3 0, 0.0 2,-0.3 0, 0.0 36,-0.2 -0.215 14.8-171.9 -76.0 165.9 39.9 56.4 58.5 76 141 A S E - D 0 110B 55 34,-1.7 34,-2.1 -2,-0.0 2,-0.6 -0.972 22.1-133.0-154.6 137.8 37.0 57.7 60.5 77 142 A I E + D 0 109B 43 -2,-0.3 32,-0.2 32,-0.2 3,-0.1 -0.898 25.8 175.9 -98.7 121.3 33.3 57.8 59.6 78 143 A V E - 0 0 38 30,-3.0 2,-0.3 -2,-0.6 31,-0.2 0.695 64.0 -3.1-104.9 -18.0 32.1 61.2 60.6 79 144 A E E - D 0 108B 53 29,-1.3 29,-3.8 220,-0.0 -1,-0.4 -0.922 59.3-160.5-165.0 152.7 28.5 61.1 59.3 80 145 A Q E - D 0 107B 57 -2,-0.3 27,-0.2 27,-0.3 25,-0.0 -0.926 29.7-103.9-132.4 153.8 26.3 58.7 57.3 81 146 A S - 0 0 19 25,-2.7 217,-0.1 -2,-0.3 -1,-0.0 -0.316 19.6-134.6 -73.9 167.2 23.1 59.2 55.4 82 147 A L S S+ 0 0 71 215,-0.1 2,-0.2 22,-0.1 -1,-0.1 0.852 85.1 91.1 -88.4 -37.5 19.8 58.1 56.9 83 148 A V - 0 0 96 21,-0.1 22,-2.2 1,-0.0 23,-0.4 -0.378 65.7-170.6 -44.9 118.2 18.7 56.4 53.7 84 149 A K E -F 104 0C 64 20,-0.3 2,-0.3 -2,-0.2 -2,-0.1 -0.667 10.8-170.9-107.1 166.7 20.0 52.8 53.9 85 150 A L E -F 103 0C 72 18,-2.0 18,-2.0 -2,-0.2 2,-0.5 -0.945 18.8-131.9-152.1 154.7 20.1 49.9 51.4 86 151 A K E +F 102 0C 96 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.874 30.6 168.3 -98.2 126.7 20.9 46.2 51.3 87 152 A L E -F 101 0C 68 14,-1.4 14,-1.7 -2,-0.5 2,-0.5 -0.915 43.3 -94.1-128.7 164.4 23.3 44.8 48.7 88 153 A I E -F 100 0C 103 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.653 48.2-173.8 -79.8 127.7 25.0 41.4 48.3 89 154 A E E -F 99 0C 16 10,-2.8 10,-1.7 -2,-0.5 2,-0.2 -0.864 9.3-175.3-123.9 150.8 28.5 41.6 49.9 90 155 A G E - 0 0 34 -2,-0.3 2,-0.3 8,-0.2 8,-0.1 -0.756 9.9-147.5-137.6-178.5 31.3 39.1 50.0 91 156 A C E > -F 94 0C 15 3,-0.7 3,-1.5 6,-0.4 6,-0.3 -0.973 22.6-132.9-161.0 135.8 34.7 39.0 51.7 92 157 A L T 3 S+ 0 0 43 -2,-0.3 -52,-0.0 1,-0.3 -1,-0.0 0.542 110.5 58.1 -71.8 -4.5 38.0 37.5 50.8 93 158 A S T 3 S+ 0 0 0 1,-0.3 -88,-2.1 -89,-0.1 -1,-0.3 0.476 106.1 50.0 -99.6 -11.1 38.1 36.0 54.3 94 159 A F E X S-F 91 0C 2 -3,-1.5 3,-1.2 -90,-0.2 -3,-0.7 -0.852 84.6-158.2-125.6 93.9 34.9 34.2 53.7 95 160 A P E 3 S+ 0 0 60 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.515 76.0 2.4 -74.4 140.9 35.4 32.3 50.4 96 161 A G E 3 S+ 0 0 64 1,-0.2 2,-0.5 -2,-0.2 -4,-0.1 0.643 101.7 122.0 57.1 18.2 32.2 31.4 48.7 97 162 A I E < + 0 0 3 -3,-1.2 -6,-0.4 -6,-0.3 2,-0.3 -0.965 34.2 165.8-113.1 124.1 30.1 33.0 51.4 98 163 A E E + 0 0 124 -2,-0.5 2,-0.3 -8,-0.1 -8,-0.2 -0.989 1.5 150.0-140.0 143.4 27.7 35.8 50.3 99 164 A G E -F 89 0C 2 -10,-1.7 -10,-2.8 -2,-0.3 2,-0.3 -0.991 43.8 -90.2-164.9 162.7 24.8 37.7 51.8 100 165 A K E -F 88 0C 82 -2,-0.3 48,-1.6 -12,-0.2 2,-0.3 -0.645 38.8-173.9 -80.5 138.3 22.8 40.9 51.9 101 166 A V E -FG 87 147C 0 -14,-1.7 -14,-1.4 -2,-0.3 2,-0.6 -0.977 21.5-128.3-132.3 139.8 23.8 43.5 54.5 102 167 A E E +F 86 0C 91 44,-0.8 -16,-0.2 -2,-0.3 -18,-0.0 -0.836 39.9 154.8 -93.5 122.2 22.1 46.8 55.4 103 168 A R E -F 85 0C 4 -18,-2.0 -18,-2.0 -2,-0.6 26,-0.1 -0.989 48.4 -90.3-141.4 150.1 24.3 49.9 55.3 104 169 A P E -F 84 0C 11 0, 0.0 -20,-0.3 0, 0.0 28,-0.1 -0.340 34.4-132.8 -52.9 141.6 23.8 53.7 54.8 105 170 A S S S+ 0 0 27 -22,-2.2 20,-0.7 19,-0.1 2,-0.3 0.895 84.7 32.4 -64.2 -50.3 24.0 54.8 51.2 106 171 A I E - E 0 124B 42 -23,-0.4 -25,-2.7 18,-0.2 2,-0.4 -0.837 68.2-164.9-112.4 148.3 26.4 57.8 51.6 107 172 A V E -DE 80 123B 0 16,-2.9 16,-2.7 -2,-0.3 2,-0.6 -0.993 16.3-145.7-138.6 137.0 29.2 58.4 54.1 108 173 A S E +DE 79 122B 0 -29,-3.8 -30,-3.0 -2,-0.4 -29,-1.3 -0.838 35.2 177.9 -92.1 121.3 31.2 61.4 55.3 109 174 A I E -DE 77 121B 0 12,-2.7 12,-1.8 -2,-0.6 2,-0.4 -0.864 26.4-157.6-126.6 158.9 34.7 60.3 56.0 110 175 A S E +DE 76 120B 8 -34,-2.1 -34,-1.7 -2,-0.3 2,-0.3 -0.962 28.8 150.6-123.6 148.7 38.1 61.7 57.2 111 176 A Y E - E 0 119B 8 8,-1.7 8,-1.6 -2,-0.4 2,-0.4 -0.939 38.5-111.9-160.3-178.4 41.3 59.9 56.5 112 177 A Y E -DE 73 118B 72 -39,-2.9 -39,-2.3 -2,-0.3 6,-0.2 -0.984 29.5-127.5-129.1 140.3 45.0 60.4 55.9 113 178 A D > - 0 0 37 4,-2.2 3,-1.7 -2,-0.4 -41,-0.1 -0.192 40.1 -84.7 -83.8 177.4 46.9 59.7 52.6 114 179 A I T 3 S+ 0 0 28 1,-0.3 -89,-0.1 2,-0.1 -1,-0.1 0.757 130.1 47.7 -51.0 -25.6 50.0 57.6 52.0 115 180 A N T 3 S- 0 0 90 2,-0.1 -1,-0.3 0, 0.0 -95,-0.2 0.605 122.5 -97.1 -94.8 -19.9 52.0 60.7 53.0 116 181 A G S < S+ 0 0 22 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.279 74.6 137.2 125.1 -8.2 50.3 61.7 56.2 117 182 A Y - 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0 0 38 -5,-2.9 2,-0.3 -8,-0.1 -1,-0.3 -0.934 38.3-154.8-110.4 133.5 28.8 85.3 65.7 321 207 B L > - 0 0 2 -2,-0.5 3,-1.9 -3,-0.1 4,-0.5 -0.769 25.7-117.2-110.2 149.4 29.9 88.2 63.5 322 208 B F G >> S+ 0 0 2 -2,-0.3 3,-1.0 1,-0.3 4,-0.5 0.756 111.1 67.6 -67.1 -14.8 33.0 88.4 61.3 323 209 B I G >4 S+ 0 0 5 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.854 90.1 64.7 -71.0 -26.8 34.4 91.1 63.4 324 210 B D G <4 S+ 0 0 75 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.736 112.4 32.8 -62.0 -22.3 34.8 88.7 66.3 325 211 B K G <4 S+ 0 0 93 -3,-1.0 -44,-0.7 -4,-0.5 -1,-0.2 0.298 91.9 118.5-120.9 2.5 37.3 86.6 64.3 326 212 B X B << S-N 280 0F 15 -3,-0.8 -46,-0.2 -4,-0.5 2,-0.2 -0.305 75.5 -93.2 -63.7 156.0 38.9 89.5 62.4 327 213 B T > - 0 0 30 -48,-1.3 4,-2.3 1,-0.1 5,-0.3 -0.482 28.9-116.3 -79.9 146.9 42.6 90.1 63.0 328 214 B Q H > S+ 0 0 121 1,-0.2 4,-0.9 2,-0.2 126,-0.1 0.751 116.1 53.3 -58.9 -22.6 43.7 92.5 65.7 329 215 B V H >> S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 3,-0.7 0.968 112.9 40.1 -69.1 -58.5 45.3 94.7 62.9 330 216 B D H 34 S+ 0 0 25 1,-0.2 -2,-0.2 2,-0.2 4,-0.2 0.759 110.9 60.8 -66.2 -21.4 42.2 94.9 60.7 331 217 B K H 3< S+ 0 0 38 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.799 109.2 40.4 -74.4 -33.4 39.9 95.3 63.8 332 218 B K H X< S+ 0 0 52 -4,-0.9 3,-0.7 -3,-0.7 -2,-0.2 0.808 108.0 62.8 -83.7 -32.1 41.6 98.5 64.9 333 219 B K T 3< S+ 0 0 92 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.585 110.6 41.3 -65.2 -7.8 41.8 99.7 61.3 334 220 B V T 3> S+ 0 0 4 -3,-0.2 4,-2.0 -4,-0.2 -1,-0.2 0.497 76.2 106.7-126.8 -3.5 38.1 99.6 61.3 335 221 B R H <> S+ 0 0 30 -3,-0.7 4,-2.9 -4,-0.4 5,-0.2 0.816 78.9 57.3 -42.8 -47.6 36.9 101.1 64.6 336 222 B P H >> S+ 0 0 42 0, 0.0 4,-2.6 0, 0.0 3,-0.5 0.977 109.1 43.7 -50.5 -65.7 35.8 104.4 63.1 337 223 B K H 3> S+ 0 0 108 1,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.817 113.5 53.4 -52.2 -39.5 33.4 102.7 60.6 338 224 B L H 3X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -1,-0.3 0.918 110.8 45.0 -61.1 -45.1 32.2 100.4 63.4 339 225 B N H X S+ 0 0 10 -4,-2.8 4,-1.0 1,-0.2 3,-0.7 0.970 111.4 47.5 -51.6 -61.0 26.1 106.0 66.0 344 230 B D H 3< S+ 0 0 77 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.760 111.2 53.7 -56.8 -29.1 23.7 105.6 63.0 345 231 B Y H >X S+ 0 0 60 -4,-1.4 3,-2.0 1,-0.2 4,-0.5 0.875 98.4 59.6 -75.8 -37.0 21.8 102.9 64.8 346 232 B K H << S+ 0 0 81 -4,-1.8 -1,-0.2 -3,-0.7 -2,-0.2 0.769 90.1 72.0 -68.4 -22.2 21.1 104.9 68.0 347 233 B A T 3< S+ 0 0 47 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.385 89.1 67.8 -67.5 2.6 19.3 107.4 65.7 348 234 B T T <4 S+ 0 0 89 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.916 108.2 29.9 -79.8 -60.8 16.7 104.6 65.6 349 235 B H S < S+ 0 0 169 -4,-0.5 2,-0.5 -3,-0.2 -2,-0.2 0.147 110.8 97.4 -87.2 20.6 15.6 104.7 69.2 350 236 B S + 0 0 32 1,-0.1 5,-0.0 -4,-0.1 -1,-0.0 -0.945 41.4 175.0-128.5 124.0 16.3 108.5 69.4 351 237 B E + 0 0 191 -2,-0.5 -1,-0.1 3,-0.0 -4,-0.1 0.647 60.8 114.5 -79.8 -21.9 14.2 111.7 69.0 352 238 B E - 0 0 94 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 -0.304 59.2-155.4 -58.5 124.1 17.5 113.5 70.0 353 239 B P S S+ 0 0 99 0, 0.0 2,-1.7 0, 0.0 -1,-0.2 0.529 74.0 103.1 -75.6 -5.9 18.9 115.7 67.2 354 240 B L + 0 0 46 1,-0.1 2,-0.3 110,-0.0 -2,-0.1 -0.030 62.1 91.3 -70.9 35.8 22.3 115.2 69.0 355 241 B E + 0 0 28 -2,-1.7 2,-0.5 -3,-0.1 -1,-0.1 -0.826 46.7 162.1-136.9 94.7 23.1 112.7 66.2 356 242 B H 0 0 102 -2,-0.3 -12,-0.0 1,-0.1 -13,-0.0 -0.965 360.0 360.0-113.9 127.4 24.9 114.0 63.0 357 243 B H 0 0 102 -2,-0.5 -1,-0.1 126,-0.1 -17,-0.0 0.193 360.0 360.0-169.5 360.0 26.6 111.5 60.6 358 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 359 66 C K 0 0 190 0, 0.0 2,-0.5 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 124.5 59.2 105.6 71.1 360 67 C I - 0 0 10 32,-0.1 46,-0.2 46,-0.1 2,-0.1 -0.705 360.0-128.4 -96.6 124.8 55.6 105.3 72.4 361 68 C V - 0 0 18 44,-2.1 2,-0.2 -2,-0.5 46,-0.1 -0.383 22.6-155.1 -79.0 146.8 55.0 104.4 76.0 362 69 C K > - 0 0 81 -2,-0.1 3,-2.4 1,-0.1 6,-0.2 -0.583 30.6 -46.2-112.8 172.5 52.7 101.5 77.1 363 70 C Y T 3 S+ 0 0 42 88,-2.0 161,-0.2 1,-0.3 -1,-0.1 -0.612 113.9 23.3 -77.6 143.4 50.6 100.5 80.1 364 71 C P T 3 S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 5,-0.1 -0.584 75.4 132.8-104.9 59.6 51.5 100.5 82.9 365 72 C D X - 0 0 45 -3,-2.4 3,-2.6 1,-0.2 4,-0.2 -0.484 59.2-132.3 -62.6 121.6 54.3 103.0 82.8 366 73 C P G > S+ 0 0 62 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.642 100.5 74.8 -56.7 -13.6 53.5 105.2 85.8 367 74 C I G > S+ 0 0 10 1,-0.3 3,-1.5 2,-0.2 -2,-0.1 0.804 83.5 66.9 -66.2 -26.1 54.0 108.3 83.6 368 75 C L G < S+ 0 0 2 -3,-2.6 -1,-0.3 1,-0.3 129,-0.1 0.474 100.0 53.3 -70.1 0.4 50.6 107.5 82.0 369 76 C R G < S+ 0 0 108 -3,-1.4 -1,-0.3 -4,-0.2 2,-0.2 0.401 87.2 97.7-118.9 -0.0 49.2 108.4 85.4 370 77 C R S < S- 0 0 134 -3,-1.5 2,-0.4 -4,-0.1 128,-0.2 -0.628 78.5-112.4 -90.5 146.3 50.8 111.8 85.9 371 78 C R - 0 0 152 -2,-0.2 126,-0.2 126,-0.2 125,-0.1 -0.658 35.7-130.5 -77.3 128.3 48.9 115.0 85.3 372 79 C S - 0 0 2 124,-2.4 2,-0.3 -2,-0.4 38,-0.2 -0.350 19.2-121.4 -76.3 163.3 50.6 116.9 82.3 373 80 C E B -o 410 0G 133 36,-1.9 38,-1.5 1,-0.1 59,-0.1 -0.830 27.1 -94.8-113.6 143.6 51.5 120.6 82.4 374 81 C E - 0 0 92 -2,-0.3 2,-0.2 36,-0.2 -1,-0.1 -0.172 37.0-118.7 -51.0 135.9 50.5 123.6 80.3 375 82 C V - 0 0 13 36,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.574 32.5-179.5 -65.5 140.1 52.7 124.4 77.4 376 83 C T + 0 0 100 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.610 61.4 61.7-112.4 -26.0 53.9 128.0 78.1 377 84 C N - 0 0 100 2,-0.0 2,-1.1 1,-0.0 -1,-0.2 -0.875 57.4-169.9-111.6 114.3 56.1 128.6 75.1 378 85 C F + 0 0 59 -2,-0.6 2,-0.1 95,-0.2 93,-0.0 -0.725 44.4 118.8-100.2 85.5 54.6 128.5 71.6 379 86 C D S > S- 0 0 68 -2,-1.1 4,-1.3 95,-0.0 3,-0.1 -0.364 79.9 -68.6-129.3-158.8 57.6 128.6 69.5 380 87 C D H > S+ 0 0 103 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.803 123.6 61.6 -71.5 -32.8 59.5 126.6 66.8 381 88 C N H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.842 102.8 53.4 -67.5 -29.1 60.5 123.9 69.2 382 89 C L H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.967 101.0 56.9 -64.8 -54.2 56.8 123.2 69.7 383 90 C K H X S+ 0 0 100 -4,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.832 110.4 48.9 -42.5 -35.7 56.2 122.9 66.0 384 91 C R H X S+ 0 0 169 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.929 108.3 49.6 -75.2 -50.8 58.8 120.2 66.2 385 92 C V H X S+ 0 0 33 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.912 111.6 50.5 -52.1 -47.6 57.4 118.3 69.2 386 93 C V H X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.878 110.0 51.8 -62.7 -35.2 54.0 118.2 67.5 387 94 C R H X S+ 0 0 80 -4,-1.2 4,-2.7 -5,-0.4 -2,-0.2 0.936 106.2 50.4 -67.2 -51.1 55.6 116.8 64.4 388 95 C K H X S+ 0 0 140 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.941 109.0 55.5 -49.7 -50.2 57.5 114.0 66.1 389 96 C X H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.921 108.6 45.4 -47.8 -55.9 54.1 113.1 67.7 390 97 C F H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.934 111.8 53.9 -52.0 -49.6 52.4 112.9 64.3 391 98 C D H X S+ 0 0 71 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.937 112.8 41.9 -49.7 -57.1 55.4 110.8 62.9 392 99 C I H X S+ 0 0 23 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.908 114.9 51.4 -59.7 -44.6 55.1 108.3 65.7 393 100 C X H ><>S+ 0 0 0 -4,-2.8 5,-2.6 -5,-0.3 3,-0.6 0.883 110.4 48.8 -61.6 -38.4 51.4 108.2 65.5 394 101 C Y H ><5S+ 0 0 11 -4,-3.1 3,-1.9 1,-0.2 -2,-0.2 0.952 109.9 51.1 -66.5 -45.3 51.5 107.6 61.8 395 102 C E H 3<5S+ 0 0 154 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.492 109.5 49.8 -74.7 -4.4 54.0 104.8 62.1 396 103 C S T <<5S- 0 0 37 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.198 112.1-120.2-113.2 14.6 51.9 103.0 64.7 397 104 C K T < 5 + 0 0 132 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.846 60.7 154.4 50.0 42.2 48.8 103.3 62.5 398 105 C G < - 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0 0 39 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.865 35.5-162.6 -97.7 131.6 89.8 74.8 59.9 1364 207 H L >> - 0 0 1 -2,-0.5 3,-2.0 -3,-0.1 4,-0.5 -0.805 29.5-114.3-115.6 152.9 90.0 77.5 57.3 1365 208 H F H >> S+ 0 0 2 -2,-0.3 4,-0.7 1,-0.3 3,-0.6 0.696 111.5 66.8 -66.3 -16.4 92.3 77.5 54.4 1366 209 H I H 34 S+ 0 0 3 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.764 92.8 63.3 -70.4 -24.5 94.3 80.5 55.6 1367 210 H D H <4 S+ 0 0 64 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.849 111.3 35.5 -64.4 -31.8 95.4 78.3 58.5 1368 211 H K H << S+ 0 0 91 -3,-0.6 -44,-0.7 -4,-0.5 -1,-0.2 0.465 93.7 116.4-105.3 -6.4 97.2 76.0 56.0 1369 212 H X B < S-D 1323 0X 12 -4,-0.7 -46,-0.2 -46,-0.2 2,-0.1 -0.193 75.4 -92.6 -63.5 158.6 98.3 78.8 53.7 1370 213 H T > - 0 0 37 -48,-1.1 4,-2.8 1,-0.1 5,-0.2 -0.389 33.6-109.7 -78.8 151.1 102.0 79.4 53.2 1371 214 H Q H > S+ 0 0 122 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.673 117.5 44.2 -55.4 -18.1 103.8 82.0 55.3 1372 215 H V H > S+ 0 0 108 2,-0.2 4,-2.7 3,-0.1 -1,-0.2 0.889 113.2 45.1 -95.6 -52.8 104.1 84.3 52.3 1373 216 H D H > S+ 0 0 32 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.825 113.3 56.8 -57.5 -28.9 100.7 84.0 50.8 1374 217 H K H < S+ 0 0 24 -4,-2.8 3,-0.5 2,-0.2 4,-0.3 0.956 110.7 41.3 -65.9 -54.5 99.5 84.5 54.4 1375 218 H K H >< S+ 0 0 48 -4,-1.1 3,-1.2 -5,-0.2 -2,-0.2 0.865 111.1 56.3 -58.1 -43.8 101.3 87.7 54.8 1376 219 H K H 3< S+ 0 0 99 -4,-2.7 -1,-0.2 1,-0.3 4,-0.2 0.759 110.1 46.6 -66.0 -22.8 100.4 89.0 51.3 1377 220 H V T 3X S+ 0 0 1 -4,-0.9 4,-1.9 -3,-0.5 -1,-0.3 0.431 78.9 101.2-105.3 4.4 96.8 88.5 52.1 1378 221 H R H <> S+ 0 0 29 -3,-1.2 4,-3.1 -4,-0.3 5,-0.2 0.900 79.3 55.9 -54.5 -51.7 96.6 90.2 55.6 1379 222 H P H > S+ 0 0 70 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.912 110.5 41.7 -45.1 -56.1 95.1 93.5 54.3 1380 223 H K H > S+ 0 0 106 -4,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.868 114.8 52.9 -68.5 -34.2 92.1 92.0 52.5 1381 224 H L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 3,-0.2 0.942 110.2 46.5 -63.5 -50.3 91.6 89.6 55.5 1382 225 H N H X S+ 0 0 17 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.901 107.4 59.6 -57.2 -43.5 91.6 92.6 57.9 1383 226 H E H X S+ 0 0 90 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.893 104.9 48.9 -47.1 -45.7 89.2 94.3 55.5 1384 227 H L H X S+ 0 0 22 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.863 108.3 52.9 -69.1 -34.6 86.8 91.4 55.9 1385 228 H I H X S+ 0 0 5 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.956 110.6 49.6 -61.4 -46.0 87.1 91.7 59.7 1386 229 H R H X S+ 0 0 51 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.917 111.1 46.8 -58.3 -49.5 86.3 95.4 59.2 1387 230 H D H < S+ 0 0 98 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.912 111.4 52.2 -60.1 -45.7 83.2 94.8 57.1 1388 231 H Y H < S+ 0 0 75 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.925 102.3 58.5 -55.9 -46.3 81.9 92.1 59.4 1389 232 H K H >X S+ 0 0 77 -4,-2.3 3,-1.8 1,-0.3 2,-1.3 0.807 89.0 74.1 -58.2 -32.2 82.3 94.5 62.4 1390 233 H A T 3< S+ 0 0 65 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.1 -0.158 74.0 86.9 -69.2 37.5 79.9 96.8 60.6 1391 234 H T T 34 S+ 0 0 83 -2,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.646 110.9 13.4-100.0 -38.0 77.3 94.2 61.6 1392 235 H H T <4 S+ 0 0 146 -3,-1.8 2,-0.5 -4,-0.2 -2,-0.2 0.294 109.1 117.9-111.4 3.1 76.9 96.1 64.9 1393 236 H S < + 0 0 42 -4,-0.7 -3,-0.0 -5,-0.2 0, 0.0 -0.638 23.7 159.0 -89.2 123.8 78.7 99.2 63.7 1394 237 H E 0 0 158 -2,-0.5 -1,-0.1 1,-0.0 -4,-0.0 -0.427 360.0 360.0-124.7 52.8 77.1 102.7 63.5 1395 238 H E 0 0 167 0, 0.0 -2,-0.1 0, 0.0 -5,-0.0 0.274 360.0 360.0-161.8 360.0 80.4 104.6 63.6 1396 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1397 66 I K 0 0 189 0, 0.0 2,-0.5 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 138.5 120.8 94.0 62.5 1398 67 I I - 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