==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 27-MAR-07 2PAK . COMPND 2 MOLECULE: DTDP-6-DEOXY-3,4-KETO-HEXULOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANEURINIBACILLUS THERMOAEROPHILUS; . AUTHOR M.L.DAVIS,J.B.THODEN,H.M.HOLDEN . 269 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 40.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 . 31 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 6 2 4 6 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 . 1 0 1 1 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 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 2 A E 0 0 217 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.9 -6.4 31.9 23.6 2 3 A N + 0 0 110 85,-0.1 3,-0.0 3,-0.0 0, 0.0 0.409 360.0 47.4-120.5 -11.2 -7.9 28.9 25.4 3 4 A K S S+ 0 0 44 83,-0.1 84,-3.8 85,-0.0 2,-0.2 0.834 97.4 71.3 -95.8 -51.6 -4.6 27.9 26.9 4 5 A V E -A 86 0A 51 82,-0.2 2,-0.5 80,-0.0 82,-0.2 -0.521 68.9-153.0 -74.6 139.2 -3.2 31.2 28.3 5 6 A I E -A 85 0A 29 80,-3.2 80,-3.1 -2,-0.2 2,-0.7 -0.967 7.4-157.2-123.7 128.5 -4.9 32.7 31.3 6 7 A N E -A 84 0A 130 -2,-0.5 2,-0.4 78,-0.2 78,-0.2 -0.872 14.8-156.6-101.8 106.2 -5.1 36.3 32.2 7 8 A F - 0 0 11 76,-3.1 2,-0.3 -2,-0.7 13,-0.1 -0.680 25.1-110.3 -86.8 137.3 -5.7 36.8 35.9 8 9 A K - 0 0 165 -2,-0.4 11,-0.5 11,-0.2 2,-0.4 -0.488 39.9-154.9 -63.5 122.1 -7.2 40.0 37.2 9 10 A K E -G 18 0B 83 -2,-0.3 2,-0.5 9,-0.1 9,-0.2 -0.840 7.9-150.5-106.1 142.9 -4.4 41.7 39.0 10 11 A I E -G 17 0B 71 7,-2.8 7,-2.5 -2,-0.4 2,-0.4 -0.955 15.4-173.2-111.6 121.1 -4.9 44.2 41.9 11 12 A I E +G 16 0B 106 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.960 14.5 147.6-121.4 132.4 -2.2 46.9 42.3 12 13 A D - 0 0 53 3,-2.3 3,-0.1 -2,-0.4 -2,-0.0 -0.701 62.8 -71.2-140.7-167.6 -1.9 49.4 45.1 13 14 A S S S+ 0 0 88 1,-0.2 163,-0.1 -2,-0.2 3,-0.1 0.778 129.6 46.6 -60.0 -31.0 0.6 51.4 47.2 14 15 A R S S- 0 0 88 1,-0.1 162,-2.0 161,-0.1 2,-0.3 0.767 119.6 -89.2 -85.9 -34.1 1.5 48.2 49.0 15 16 A G - 0 0 2 160,-0.3 -3,-2.3 -3,-0.1 2,-0.3 -0.935 55.6 -39.8 162.7-137.1 2.0 45.8 46.1 16 17 A S E -GH 11 173B 5 157,-2.1 157,-1.8 -2,-0.3 2,-0.4 -0.985 37.2-166.5-135.1 145.3 0.1 43.4 43.9 17 18 A L E +GH 10 172B 56 -7,-2.5 -7,-2.8 -2,-0.3 2,-0.4 -0.994 6.0 179.1-134.4 136.4 -2.6 40.8 44.5 18 19 A V E -GH 9 171B 0 153,-1.8 153,-2.1 -2,-0.4 2,-0.5 -0.994 7.7-168.0-137.4 127.1 -3.9 38.0 42.4 19 20 A A E - H 0 170B 28 -11,-0.5 2,-0.4 -2,-0.4 151,-0.3 -0.966 4.2-164.3-121.2 126.3 -6.6 35.7 43.5 20 21 A I E - H 0 169B 0 149,-3.6 149,-2.7 -2,-0.5 2,-0.4 -0.866 8.1-163.6-104.1 142.2 -7.6 32.5 41.8 21 22 A E E >>> - H 0 168B 31 -2,-0.4 3,-3.5 147,-0.2 4,-1.0 -0.953 29.9-104.1-132.6 113.5 -10.9 30.9 42.7 22 23 A E B 345S-m 26 0C 22 145,-1.2 7,-0.2 -2,-0.4 226,-0.1 0.038 105.3 -0.3 -36.2 126.5 -11.7 27.3 41.8 23 24 A N T 345S+ 0 0 89 5,-1.4 -1,-0.3 3,-1.0 6,-0.1 0.518 123.9 81.7 68.4 2.9 -14.1 27.1 38.9 24 25 A K T <45S- 0 0 129 -3,-3.5 -2,-0.2 4,-0.2 -1,-0.1 0.791 115.0 -1.5-102.7 -74.1 -14.1 30.9 38.8 25 26 A N T <5S+ 0 0 55 -4,-1.0 -3,-0.1 1,-0.1 -5,-0.0 0.299 136.5 56.3-103.5 17.4 -11.1 32.0 37.0 26 27 A I B - 0 0 28 3,-0.2 3,-2.0 -20,-0.1 -22,-0.4 -0.984 65.3-144.4-139.0 127.1 4.2 37.1 35.3 82 83 A P T 3 S+ 0 0 17 0, 0.0 -22,-0.1 0, 0.0 -1,-0.1 0.727 102.1 62.3 -58.5 -20.4 2.4 36.0 38.4 83 84 A A T 3 S+ 0 0 12 -24,-0.1 -76,-3.1 -77,-0.1 2,-0.5 0.611 90.1 78.5 -83.5 -10.9 -0.8 37.3 36.6 84 85 A V E < -A 6 0A 32 -3,-2.0 -25,-0.5 -78,-0.2 2,-0.3 -0.855 58.7-175.4-102.5 134.8 -0.5 34.9 33.8 85 86 A G E -A 5 0A 0 -80,-3.1 -80,-3.2 -2,-0.5 2,-0.4 -0.765 14.3-142.4-119.1 165.0 -1.6 31.3 34.2 86 87 A L E -AD 4 57A 5 -29,-0.7 -29,-2.1 -2,-0.3 2,-0.5 -0.966 10.2-139.0-138.3 119.0 -1.3 28.5 31.7 87 88 A Y E - D 0 56A 30 -84,-3.8 2,-0.5 -2,-0.4 -31,-0.2 -0.662 18.3-176.9 -82.8 126.4 -3.9 25.9 31.2 88 89 A V E - D 0 55A 0 -33,-2.8 -33,-2.9 -2,-0.5 3,-0.1 -0.957 13.8-165.8-125.4 104.5 -2.6 22.5 30.6 89 90 A G > - 0 0 4 -2,-0.5 3,-0.9 -35,-0.2 -39,-0.4 -0.217 33.2 -67.2 -87.8 176.8 -5.3 19.9 30.0 90 91 A P T 3 S+ 0 0 56 0, 0.0 -39,-0.2 0, 0.0 -1,-0.2 -0.231 118.7 26.3 -58.9 150.6 -5.5 16.2 30.0 91 92 A A T 3 S+ 0 0 24 -41,-3.9 2,-0.6 1,-0.2 -40,-0.1 0.812 89.7 132.9 65.5 30.4 -3.6 14.6 27.2 92 93 A V < - 0 0 12 -3,-0.9 -42,-0.3 -42,-0.4 -22,-0.2 -0.931 48.9-143.1-122.3 118.8 -1.1 17.4 26.9 93 94 A W E - P 0 69D 13 -24,-2.8 -24,-1.6 -2,-0.6 2,-0.3 -0.408 30.2-178.1 -68.7 147.5 2.5 16.8 26.7 94 95 A H E -NP 48 68D 1 -46,-1.6 -47,-3.5 -26,-0.2 -46,-1.3 -0.998 20.7-172.0-156.3 153.0 4.5 19.4 28.5 95 96 A E E -NP 46 67D 27 -28,-1.7 -28,-3.1 -2,-0.3 2,-0.5 -0.995 13.3-146.6-144.3 144.5 8.0 20.5 29.3 96 97 A M E +NP 45 66D 5 -51,-3.6 -51,-2.4 -2,-0.3 2,-0.3 -0.942 27.2 171.1-114.9 123.4 9.5 23.2 31.6 97 98 A H E + P 0 65D 26 -32,-4.0 -32,-3.9 -2,-0.5 3,-0.2 -0.875 44.6 21.0-131.6 166.9 12.7 24.9 30.6 98 99 A D - 0 0 105 -2,-0.3 2,-0.4 -34,-0.2 -1,-0.2 0.826 62.4-166.2 53.0 46.7 14.9 27.7 31.5 99 100 A F - 0 0 38 -3,-0.2 -35,-0.2 -35,-0.1 -1,-0.2 -0.448 20.1-128.5 -64.2 120.4 14.0 28.2 35.1 100 101 A S > - 0 0 26 -37,-3.0 3,-1.1 -2,-0.4 -61,-0.1 -0.178 24.8-109.7 -59.0 164.6 15.5 31.4 36.1 101 102 A S T 3 S+ 0 0 103 1,-0.2 -63,-0.2 -63,-0.1 -1,-0.1 0.890 120.2 44.8 -62.9 -40.9 17.5 31.1 39.3 102 103 A D T 3 S+ 0 0 80 -64,-0.1 -1,-0.2 -65,-0.1 2,-0.1 0.193 88.7 139.1 -88.6 12.3 14.9 33.0 41.3 103 104 A C < - 0 0 1 -3,-1.1 -64,-0.5 -40,-0.2 2,-0.5 -0.316 31.8-174.9 -69.0 135.8 12.0 31.1 39.7 104 105 A V E - E 0 61A 2 -43,-2.0 -43,-1.2 -67,-0.1 -44,-1.1 -0.998 9.3-167.9-125.7 123.3 9.0 29.9 41.7 105 106 A M E -BE 36 59A 0 -69,-2.2 -69,-2.8 -2,-0.5 2,-0.3 -0.946 2.4-169.6-122.0 118.9 6.7 27.9 39.7 106 107 A M E -BE 35 58A 0 -48,-3.3 -48,-4.1 -2,-0.6 2,-0.4 -0.795 3.1-166.1-107.4 153.1 3.3 27.1 41.0 107 108 A V E -BE 34 57A 0 -73,-3.3 -73,-2.3 -2,-0.3 2,-0.5 -0.984 8.7-155.4-137.9 124.5 0.8 24.6 39.7 108 109 A L E -BE 33 56A 0 -52,-2.5 -52,-1.1 -2,-0.4 2,-0.4 -0.854 24.2-165.4-100.1 128.5 -2.9 24.2 40.6 109 110 A A E -BE 32 55A 0 -77,-2.6 -78,-2.9 -2,-0.5 -77,-1.4 -0.928 31.0-135.4-125.7 150.0 -4.2 20.8 40.0 110 111 A S S S+ 0 0 20 -56,-2.1 2,-0.3 -2,-0.4 -81,-0.1 0.699 87.1 7.9 -62.2 -31.2 -7.6 19.0 39.7 111 112 A D S S- 0 0 76 -57,-0.2 -80,-0.1 -79,-0.1 -79,-0.1 -0.947 87.5 -70.7-151.1 172.1 -6.5 16.1 41.8 112 113 A Y - 0 0 46 -2,-0.3 -80,-0.1 1,-0.2 -2,-0.1 -0.088 65.7 -75.4 -62.2 158.0 -4.0 14.6 44.1 113 114 A Y + 0 0 92 -4,-0.1 2,-0.2 1,-0.0 -1,-0.2 -0.226 54.0 173.9 -54.4 142.0 -0.6 13.3 42.9 114 115 A D > - 0 0 74 -3,-0.1 3,-2.3 1,-0.1 4,-0.2 -0.718 26.4-156.9-161.1 99.7 -0.9 10.0 41.1 115 116 A E G > S+ 0 0 145 1,-0.3 3,-0.7 -2,-0.2 -1,-0.1 0.711 92.5 62.3 -47.4 -29.8 2.1 8.4 39.5 116 117 A T G 3 S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.376 84.9 71.9 -83.7 0.9 -0.3 6.4 37.2 117 118 A D G < S+ 0 0 16 -3,-2.3 -66,-2.7 -66,-0.1 -1,-0.2 0.459 85.0 99.6 -95.1 -0.8 -1.9 9.4 35.4 118 119 A Y E < -Q 50 0E 39 -3,-0.7 2,-0.5 -4,-0.2 -68,-0.2 -0.449 56.6-158.2 -90.7 157.3 1.2 10.0 33.5 119 120 A I E +Q 49 0E 19 -70,-2.2 -70,-1.6 -2,-0.2 -3,-0.0 -0.971 15.7 174.1-131.8 104.5 2.6 9.3 30.1 120 121 A R + 0 0 146 -2,-0.5 2,-0.5 -72,-0.2 -1,-0.1 0.405 58.2 73.5 -98.3 3.4 6.3 9.5 30.2 121 122 A Q > - 0 0 107 1,-0.1 4,-1.9 -72,-0.1 5,-0.1 -0.977 66.2-150.8-122.5 125.8 7.0 8.4 26.8 122 123 A Y H > S+ 0 0 84 -2,-0.5 4,-4.2 1,-0.2 5,-0.2 0.909 95.4 53.5 -58.8 -46.6 6.4 10.6 23.8 123 124 A D H > S+ 0 0 77 1,-0.2 4,-3.8 2,-0.2 -1,-0.2 0.902 110.7 46.4 -56.8 -43.7 5.7 7.8 21.3 124 125 A N H > S+ 0 0 64 2,-0.2 4,-6.2 3,-0.2 -1,-0.2 0.875 112.5 52.0 -64.5 -38.8 3.0 6.3 23.6 125 126 A F H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.3 5,-0.3 0.991 110.7 46.3 -59.8 -58.1 1.7 9.8 24.0 126 127 A K H X S+ 0 0 86 -4,-4.2 4,-2.3 1,-0.2 3,-0.3 0.951 118.0 43.7 -46.3 -55.0 1.6 10.1 20.3 127 128 A K H X S+ 0 0 131 -4,-3.8 4,-2.6 1,-0.2 5,-0.4 0.957 108.7 57.8 -50.6 -58.6 -0.0 6.7 20.2 128 129 A Y H X S+ 0 0 65 -4,-6.2 4,-1.2 1,-0.3 -1,-0.2 0.841 109.8 45.5 -38.1 -48.0 -2.3 7.6 23.1 129 130 A I H X S+ 0 0 21 -4,-2.9 4,-3.3 -3,-0.3 -1,-0.3 0.906 110.3 51.0 -66.3 -47.9 -3.6 10.4 21.0 130 131 A A H X S+ 0 0 55 -4,-2.3 4,-1.9 -5,-0.3 5,-0.3 0.983 108.1 53.1 -52.0 -61.6 -4.0 8.5 17.8 131 132 A K H X S+ 0 0 135 -4,-2.6 4,-0.9 1,-0.3 -1,-0.2 0.819 112.1 48.8 -41.0 -39.6 -6.0 5.8 19.6 132 133 A I H >< S+ 0 0 56 -4,-1.2 3,-1.0 -5,-0.4 -1,-0.3 0.951 101.9 59.2 -71.1 -51.5 -8.1 8.7 20.8 133 134 A N H 3< S+ 0 0 126 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.917 99.9 56.8 -43.9 -53.5 -8.6 10.3 17.5 134 135 A L H 3< 0 0 160 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.887 360.0 360.0 -44.7 -43.0 -10.2 7.2 16.1 135 136 A E << 0 0 169 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.421 360.0 360.0 -67.8 360.0 -12.7 7.6 19.1 136 !* 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 0.0 137 2 B E 0 0 168 0, 0.0 2,-0.2 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 108.5 -0.5 25.8 70.3 138 3 B N - 0 0 121 1,-0.1 73,-0.0 2,-0.0 0, 0.0 -0.474 360.0-178.2 -72.1 138.2 1.8 25.6 67.3 139 4 B K + 0 0 15 -2,-0.2 84,-2.9 65,-0.0 2,-0.1 0.472 44.8 111.6-116.6 -10.3 0.3 26.6 63.9 140 5 B V E -I 222 0B 34 82,-0.2 2,-0.4 80,-0.0 82,-0.3 -0.432 48.5-159.8 -68.2 140.9 3.3 26.0 61.7 141 6 B I E -I 221 0B 36 80,-4.7 80,-3.6 -2,-0.1 2,-0.7 -0.968 4.8-154.1-128.1 116.6 3.2 23.2 59.2 142 7 B N E -I 220 0B 119 -2,-0.4 2,-0.2 78,-0.2 78,-0.2 -0.764 18.6-145.9 -91.2 120.4 6.4 21.8 57.7 143 8 B F - 0 0 13 76,-3.8 2,-0.2 -2,-0.7 13,-0.1 -0.617 22.9-103.1 -88.0 148.4 5.7 20.2 54.3 144 9 B K - 0 0 179 -2,-0.2 11,-0.6 11,-0.2 2,-0.6 -0.420 44.0-153.0 -61.5 128.9 7.5 17.2 52.9 145 10 B K E -F 154 0A 71 -2,-0.2 2,-0.3 9,-0.1 9,-0.2 -0.912 6.4-145.7-119.0 121.8 10.0 18.6 50.4 146 11 B I E -F 153 0A 88 7,-2.4 7,-1.6 -2,-0.6 2,-0.4 -0.559 21.9-170.3 -80.5 140.6 11.4 16.8 47.4 147 12 B I E +F 152 0A 114 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.963 17.0 129.6-135.1 151.6 14.9 17.5 46.4 148 13 B D E > -F 151 0A 61 3,-1.1 3,-0.8 -2,-0.4 -2,-0.0 -0.969 69.8 -62.0-174.5-178.0 17.2 16.8 43.5 149 14 B S T 3 S+ 0 0 84 -2,-0.3 -106,-0.1 1,-0.3 3,-0.1 0.636 128.0 55.4 -55.4 -17.5 19.7 18.0 41.0 150 15 B R T 3 S- 0 0 82 1,-0.3 -110,-1.6 -111,-0.1 2,-0.3 0.804 113.6-102.7 -88.0 -36.3 16.8 20.1 39.7 151 16 B G E < - F 0 148A 5 -3,-0.8 -3,-1.1 -112,-0.3 2,-0.3 -0.989 52.1 -37.4 145.7-151.0 15.7 22.0 42.7 152 17 B S E -CF 37 147A 7 -115,-4.2 -115,-2.5 -2,-0.3 2,-0.3 -0.812 38.2-173.1-117.5 157.5 12.9 21.7 45.2 153 18 B L E -CF 36 146A 40 -7,-1.6 -7,-2.4 -2,-0.3 2,-0.4 -0.992 2.7-172.6-145.0 144.6 9.2 20.8 45.2 154 19 B V E -CF 35 145A 0 -119,-1.6 -119,-1.8 -2,-0.3 2,-0.5 -0.992 11.0-155.0-141.4 125.3 6.5 20.9 47.7 155 20 B A E -C 34 0A 30 -11,-0.6 2,-0.5 -2,-0.4 -121,-0.2 -0.922 4.6-166.3-112.9 133.3 3.1 19.5 47.2 156 21 B I E -C 33 0A 0 -123,-1.7 -123,-3.5 -2,-0.5 2,-0.5 -0.925 5.1-172.2-123.3 106.6 -0.0 20.6 49.1 157 22 B E E >>> -C 32 0A 28 -2,-0.5 3,-2.3 -125,-0.3 4,-1.5 -0.850 27.3-115.2-105.2 125.6 -3.2 18.6 49.0 158 23 B E T 345S+ 0 0 21 -127,-1.6 7,-0.2 -2,-0.5 3,-0.1 -0.064 99.6 3.7 -48.8 152.3 -6.5 19.8 50.4 159 24 B N T 345S+ 0 0 83 5,-3.1 -1,-0.3 3,-0.3 6,-0.1 0.601 125.6 74.4 41.1 18.9 -7.8 17.8 53.3 160 25 B K T <45S+ 0 0 129 -3,-2.3 -1,-0.2 4,-0.3 -2,-0.2 0.634 116.8 2.0-118.0 -73.2 -4.5 15.8 53.2 161 26 B N T <5S+ 0 0 59 -4,-1.5 -3,-0.1 1,-0.1 -2,-0.1 0.243 134.5 60.5 -99.8 14.6 -1.6 17.8 54.5 162 27 B I S - 0 0 30 3,-0.2 3,-1.7 -22,-0.1 -22,-0.4 -0.956 64.2-145.7-149.3 125.6 11.0 28.9 53.5 218 83 B P T 3 S+ 0 0 13 0, 0.0 -22,-0.1 0, 0.0 -183,-0.1 0.521 99.0 67.4 -68.8 -5.3 8.4 27.7 51.0 219 84 B A T 3 S+ 0 0 11 -24,-0.1 -76,-3.8 -77,-0.1 2,-0.5 0.469 86.5 78.8 -93.9 -4.7 8.4 24.5 52.9 220 85 B V E < -I 142 0B 29 -3,-1.7 -25,-0.5 -78,-0.2 2,-0.3 -0.948 62.0-168.5-111.2 125.3 6.8 26.0 56.0 221 86 B G E -I 141 0B 0 -80,-3.6 -80,-4.7 -2,-0.5 2,-0.5 -0.861 11.2-146.5-113.4 145.7 3.1 26.6 56.1 222 87 B L E -IK 140 193B 0 -29,-1.7 -29,-2.4 -2,-0.3 2,-0.6 -0.970 13.4-141.8-116.5 116.7 1.3 28.6 58.7 223 88 B Y E - K 0 192B 52 -84,-2.9 2,-0.7 -2,-0.5 -31,-0.3 -0.701 12.7-167.9 -84.1 120.9 -2.2 27.6 59.6 224 89 B V E - K 0 191B 0 -33,-3.7 -33,-3.4 -2,-0.6 4,-0.1 -0.883 13.8-163.6-113.0 96.5 -4.6 30.4 60.2 225 90 B G - 0 0 8 -2,-0.7 3,-0.5 -35,-0.2 -39,-0.3 -0.145 33.2 -78.2 -72.4 166.9 -7.7 29.0 61.7 226 91 B P S S+ 0 0 51 0, 0.0 -39,-0.2 0, 0.0 -1,-0.2 -0.374 117.4 27.5 -65.3 146.0 -11.1 30.7 62.0 227 92 B A S S+ 0 0 12 -41,-5.1 2,-0.4 1,-0.2 -40,-0.1 0.930 94.4 124.3 64.8 44.9 -11.3 33.3 64.7 228 93 B V - 0 0 12 -3,-0.5 -42,-0.5 -42,-0.4 2,-0.3 -0.994 55.4-135.7-140.7 129.4 -7.6 34.0 64.6 229 94 B W E -RU 185 205F 8 -24,-3.8 -24,-2.4 -2,-0.4 2,-0.3 -0.624 26.3-174.0 -86.6 140.1 -6.0 37.4 64.0 230 95 B H E -RU 184 204F 0 -46,-1.8 -47,-3.0 -2,-0.3 -46,-0.9 -0.984 13.6-177.3-141.5 153.6 -3.2 37.8 61.6 231 96 B E E -RU 182 203F 30 -28,-1.6 -28,-2.2 -2,-0.3 2,-0.4 -0.991 12.7-151.1-149.0 140.4 -0.7 40.3 60.4 232 97 B M E +RU 181 202F 6 -51,-2.8 -51,-2.4 -2,-0.3 2,-0.3 -0.891 27.9 153.5-110.7 138.8 2.1 40.5 57.8 233 98 B H E + U 0 201F 27 -32,-1.7 -32,-3.0 -2,-0.4 3,-0.2 -0.953 47.8 43.1-152.4 168.1 5.1 42.7 58.2 234 99 B D - 0 0 108 -2,-0.3 2,-0.8 1,-0.2 -1,-0.1 0.906 66.5-174.5 56.0 44.2 8.6 42.9 57.1 235 100 B F - 0 0 37 -35,-0.2 -1,-0.2 -3,-0.1 -35,-0.2 -0.622 21.2-131.7 -74.2 113.8 7.8 41.9 53.6 236 101 B S > - 0 0 28 -37,-2.6 3,-1.1 -2,-0.8 -61,-0.2 -0.172 20.4-112.3 -59.7 160.5 11.1 41.5 51.9 237 102 B S T 3 S+ 0 0 102 1,-0.3 -62,-0.3 -63,-0.1 -63,-0.1 0.878 119.5 42.1 -62.6 -41.5 11.4 43.2 48.5 238 103 B D T 3 S+ 0 0 80 -64,-0.1 -1,-0.3 -65,-0.1 2,-0.1 0.297 91.6 135.4 -88.8 8.6 11.6 39.9 46.6 239 104 B C < - 0 0 2 -3,-1.1 -64,-0.5 -40,-0.2 2,-0.4 -0.335 34.2-173.8 -63.6 137.0 8.9 38.5 48.8 240 105 B V E - L 0 197B 1 -43,-1.6 -44,-1.5 -67,-0.1 -43,-1.0 -0.999 8.7-163.4-124.5 124.5 6.1 36.5 47.3 241 106 B M E -JL 172 195B 0 -69,-3.0 -69,-2.4 -2,-0.4 2,-0.4 -0.939 3.2-164.8-117.1 132.3 3.4 35.5 49.7 242 107 B M E -JL 171 194B 0 -48,-4.2 -48,-3.3 -2,-0.5 2,-0.4 -0.889 2.6-165.3-117.7 145.1 0.8 32.8 49.0 243 108 B V E -JL 170 193B 0 -73,-3.8 -73,-3.4 -2,-0.4 2,-0.6 -0.986 8.6-161.3-132.9 134.2 -2.4 32.0 50.6 244 109 B L E -JL 169 192B 0 -52,-2.7 -52,-2.0 -2,-0.4 2,-0.3 -0.941 19.1-174.8-108.5 117.8 -4.5 29.0 50.4 245 110 B A E -JL 168 191B 0 -77,-2.8 -78,-1.9 -2,-0.6 -77,-1.8 -0.883 29.3-140.5-117.7 150.8 -8.0 29.6 51.5 246 111 B S S S+ 0 0 16 -56,-1.4 2,-0.3 -2,-0.3 -81,-0.1 0.299 83.9 35.8 -88.0 5.7 -10.9 27.1 52.0 247 112 B D S S- 0 0 52 -57,-0.2 3,-0.2 -79,-0.1 -1,-0.1 -0.982 88.7 -84.7-163.4 151.2 -13.3 29.6 50.6 248 113 B Y - 0 0 55 -2,-0.3 2,-0.1 1,-0.2 -80,-0.1 -0.073 65.4 -77.9 -50.7 148.9 -14.1 32.3 48.2 249 114 B Y + 0 0 108 1,-0.1 2,-0.4 -4,-0.1 -1,-0.2 -0.283 55.1 178.0 -50.5 115.7 -13.3 35.9 49.0 250 115 B D > - 0 0 58 -3,-0.2 3,-3.0 1,-0.1 4,-0.4 -0.803 19.8-169.6-132.9 93.1 -16.0 37.2 51.5 251 116 B E G > S+ 0 0 118 -2,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.756 87.2 63.9 -48.3 -29.1 -15.5 40.7 52.8 252 117 B T G 3 S+ 0 0 112 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.474 92.4 61.8 -77.1 -5.5 -18.3 40.0 55.3 253 118 B D G < S+ 0 0 7 -3,-3.0 -66,-1.4 -67,-0.1 2,-0.5 0.517 85.1 103.4 -97.8 -3.9 -16.3 37.3 57.0 254 119 B Y E < -S 186 0F 34 -3,-1.0 2,-0.6 -4,-0.4 -68,-0.2 -0.687 56.0-157.9 -88.2 117.7 -13.7 39.8 58.0 255 120 B I E +S 185 0F 16 -70,-3.3 -70,-1.1 -2,-0.5 -2,-0.0 -0.803 12.7 179.3 -90.8 121.1 -13.3 41.3 61.5 256 121 B R + 0 0 110 -2,-0.6 2,-0.6 -72,-0.2 -1,-0.1 0.410 56.2 77.3-109.6 8.9 -11.3 44.5 61.2 257 122 B Q >> - 0 0 97 1,-0.2 4,-2.6 -72,-0.1 3,-0.5 -0.962 63.8-153.6-118.7 112.4 -11.2 45.7 64.8 258 123 B Y H 3> S+ 0 0 77 -2,-0.6 4,-2.6 1,-0.3 -1,-0.2 0.922 100.9 52.5 -47.4 -44.4 -8.7 44.0 66.9 259 124 B D H 3> S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.815 107.4 48.8 -59.9 -39.9 -10.9 44.9 69.8 260 125 B N H <> S+ 0 0 71 -3,-0.5 4,-3.4 2,-0.2 -1,-0.2 0.814 110.4 53.7 -72.9 -29.6 -14.0 43.4 68.2 261 126 B F H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.946 105.6 51.9 -65.8 -48.3 -11.9 40.3 67.5 262 127 B K H X S+ 0 0 79 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.882 114.2 44.2 -55.1 -41.1 -11.0 40.1 71.1 263 128 B K H X S+ 0 0 137 -4,-1.7 4,-1.6 2,-0.2 3,-0.4 0.963 106.0 57.5 -70.4 -53.2 -14.7 40.3 71.9 264 129 B Y H X S+ 0 0 43 -4,-3.4 4,-2.0 1,-0.3 -1,-0.2 0.847 107.0 53.8 -45.1 -36.0 -15.9 37.9 69.3 265 130 B I H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 -1,-0.3 0.928 103.7 53.6 -65.4 -48.5 -13.6 35.4 71.0 266 131 B A H >< S+ 0 0 48 -4,-1.4 3,-2.0 -3,-0.4 4,-0.2 0.982 109.7 46.1 -49.9 -69.8 -15.0 35.9 74.4 267 132 B K H >< S+ 0 0 132 -4,-1.6 3,-3.1 1,-0.3 -1,-0.2 0.894 110.1 55.1 -38.4 -51.3 -18.5 35.2 73.4 268 133 B I H 3< S+ 0 0 76 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.878 98.3 65.0 -50.3 -38.3 -17.1 32.2 71.5 269 134 B N T << 0 0 115 -4,-2.4 -1,-0.3 -3,-2.0 -2,-0.2 0.354 360.0 360.0 -68.1 6.1 -15.6 31.3 74.9 270 135 B L < 0 0 185 -3,-3.1 -3,-0.1 -4,-0.2 -2,-0.1 -0.244 360.0 360.0-161.5 360.0 -19.2 30.8 76.2