==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-FEB-99 2BVW . COMPND 2 MOLECULE: CELLOBIOHYDROLASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA INSOLENS; . AUTHOR A.VARROT,G.J.DAVIES,M.SCHULEIN . 721 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 0 0.0 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-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 . 44 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.4 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 0 0 2 0 3 3 0 0 1 3 0 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 6 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 90 A N 0 0 156 0, 0.0 2,-0.2 0, 0.0 209,-0.0 0.000 360.0 360.0 360.0-156.5 15.6 5.6 -14.8 2 91 A G - 0 0 52 1,-0.1 3,-0.0 2,-0.0 0, 0.0 -0.479 360.0-117.4 -87.5 150.7 16.0 7.4 -11.6 3 92 A N > - 0 0 24 -2,-0.2 3,-1.4 1,-0.1 -1,-0.1 -0.708 25.0-146.9 -75.7 121.2 15.5 6.4 -8.0 4 93 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.669 95.0 59.7 -68.3 -17.0 12.7 8.7 -6.9 5 94 A F T > S+ 0 0 10 299,-0.1 3,-0.6 2,-0.1 2,-0.3 0.546 87.5 92.9 -85.6 -10.2 14.1 8.9 -3.4 6 95 A E T < S+ 0 0 132 -3,-1.4 3,-0.1 1,-0.2 299,-0.0 -0.679 90.7 12.8 -87.3 136.0 17.4 10.3 -4.6 7 96 A G T 3 S+ 0 0 55 -2,-0.3 70,-0.5 1,-0.2 2,-0.3 0.566 110.7 85.9 83.8 9.5 17.8 14.1 -4.7 8 97 A V S < S- 0 0 18 -3,-0.6 2,-0.4 68,-0.2 -1,-0.2 -0.914 70.2-124.8-136.0 164.5 14.7 14.9 -2.6 9 98 A Q E -a 78 0A 63 68,-2.9 70,-2.5 -2,-0.3 2,-0.6 -0.847 33.2-120.9-103.1 143.6 13.6 15.3 1.0 10 99 A L E -a 79 0A 33 -2,-0.4 2,-0.3 68,-0.2 70,-0.2 -0.801 24.7-128.4 -91.4 122.0 10.6 13.2 2.1 11 100 A W - 0 0 47 68,-2.1 2,-0.7 -2,-0.6 70,-0.2 -0.535 11.4-141.2 -65.6 128.2 7.7 15.3 3.4 12 101 A A - 0 0 12 -2,-0.3 34,-0.1 32,-0.1 -1,-0.1 -0.809 29.8-127.7 -87.5 116.9 6.4 14.2 6.8 13 102 A N > - 0 0 10 -2,-0.7 4,-1.5 32,-0.5 32,-0.1 -0.212 1.3-131.2 -71.5 156.5 2.6 14.6 6.4 14 103 A N H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.626 98.3 69.1 -83.3 -13.4 0.5 16.6 8.9 15 104 A Y H > S+ 0 0 83 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.941 106.6 38.9 -67.3 -49.5 -2.2 13.9 9.3 16 105 A Y H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.913 115.7 52.4 -66.9 -40.5 0.2 11.6 11.2 17 106 A R H X S+ 0 0 56 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.912 108.8 52.1 -57.6 -45.2 1.8 14.6 13.0 18 107 A S H X S+ 0 0 47 -4,-2.1 4,-2.5 1,-0.2 5,-0.4 0.893 107.8 50.6 -61.3 -37.6 -1.8 15.6 14.1 19 108 A E H X>S+ 0 0 14 -4,-2.0 4,-2.2 2,-0.2 5,-1.5 0.922 113.6 45.8 -62.4 -49.7 -2.6 12.1 15.5 20 109 A V H X>S+ 0 0 0 -4,-2.3 5,-2.7 3,-0.2 4,-0.6 0.973 119.8 38.1 -60.3 -50.9 0.6 12.1 17.5 21 110 A H H <5S+ 0 0 83 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.802 124.8 36.4 -72.4 -32.9 0.3 15.6 18.9 22 111 A T H <5S+ 0 0 95 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.753 133.6 18.8 -93.3 -25.8 -3.5 15.7 19.5 23 112 A L H <5S+ 0 0 75 -4,-2.2 4,-0.3 -5,-0.4 -3,-0.2 0.779 127.7 35.7-110.3 -47.3 -4.1 12.1 20.6 24 113 A A T >< - 0 0 82 1,-0.1 4,-2.4 2,-0.0 3,-0.4 -0.554 69.6-142.6 -74.5 131.9 6.6 10.5 31.0 31 120 A P H > S+ 0 0 86 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.798 99.1 50.4 -56.2 -41.7 8.6 13.5 29.7 32 121 A A H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.881 111.3 48.1 -68.7 -39.7 11.1 11.4 27.7 33 122 A L H > S+ 0 0 25 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.865 109.7 53.7 -68.9 -38.4 8.4 9.5 25.9 34 123 A R H X S+ 0 0 100 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.926 112.0 44.5 -59.3 -45.8 6.6 12.7 25.2 35 124 A A H X S+ 0 0 58 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.887 113.9 50.2 -64.9 -38.1 9.8 14.1 23.6 36 125 A A H X S+ 0 0 9 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.895 108.8 52.4 -63.5 -45.8 10.3 10.8 21.8 37 126 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.906 105.8 54.0 -59.3 -44.0 6.8 10.9 20.4 38 127 A S H < S+ 0 0 45 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.876 108.7 50.4 -59.6 -36.0 7.3 14.4 19.1 39 128 A A H >< S+ 0 0 42 -4,-1.4 3,-1.6 1,-0.2 4,-0.2 0.936 107.2 51.9 -70.9 -37.9 10.4 13.1 17.2 40 129 A V H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.853 97.7 67.7 -71.3 -22.8 8.5 10.2 15.6 41 130 A A T 3< S+ 0 0 1 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.714 98.7 53.2 -64.0 -21.7 5.8 12.6 14.4 42 131 A E T < S+ 0 0 94 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.435 79.4 108.9 -91.0 -3.9 8.5 14.0 12.1 43 132 A V S < S- 0 0 11 -3,-1.9 2,-1.2 -4,-0.2 -30,-0.1 -0.631 78.7-120.7 -75.4 126.7 9.5 10.7 10.5 44 133 A P + 0 0 24 0, 0.0 264,-0.5 0, 0.0 2,-0.2 -0.571 43.3 170.2 -78.3 93.9 8.1 10.8 6.9 45 134 A S - 0 0 3 -2,-1.2 -32,-0.5 1,-0.1 264,-0.2 -0.635 40.9 -85.0 -98.4 159.9 5.7 7.9 6.6 46 135 A F - 0 0 1 262,-2.4 2,-0.5 -2,-0.2 36,-0.2 -0.327 34.6-130.4 -64.3 147.4 3.3 7.3 3.6 47 136 A Q E -b 82 0B 8 34,-2.6 36,-2.7 263,-0.1 2,-0.5 -0.847 24.5-138.8 -98.7 123.8 -0.1 9.0 3.6 48 137 A W E -b 83 0B 41 -2,-0.5 2,-1.3 34,-0.2 3,-0.2 -0.767 14.0-157.1 -93.8 132.5 -2.9 6.6 2.8 49 138 A L E +b 84 0B 0 34,-2.7 36,-1.1 -2,-0.5 6,-0.1 -0.551 39.5 149.8 -96.6 65.8 -5.8 7.3 0.5 50 139 A D + 0 0 44 -2,-1.3 2,-0.3 34,-0.1 -1,-0.2 0.556 60.5 37.2 -79.7 -12.6 -7.9 4.7 2.2 51 140 A R S > S- 0 0 88 -3,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.990 82.7-119.6-137.7 150.3 -11.3 6.3 1.6 52 141 A N T >> S+ 0 0 69 -2,-0.3 3,-1.9 1,-0.3 4,-0.5 0.859 108.6 66.7 -60.1 -33.3 -12.6 8.3 -1.4 53 142 A V H 3> S+ 0 0 86 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.762 89.7 66.8 -61.1 -23.1 -13.1 11.5 0.8 54 143 A T H <4>S+ 0 0 0 -3,-1.5 5,-2.6 1,-0.2 6,-0.3 0.737 86.3 71.3 -69.1 -23.2 -9.3 11.8 1.2 55 144 A V H <4>S+ 0 0 1 -3,-1.9 5,-0.7 -4,-0.3 -1,-0.2 0.946 107.2 29.9 -62.9 -51.4 -8.7 12.5 -2.5 56 145 A D H <5S+ 0 0 84 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.576 132.8 34.4 -88.6 -0.1 -10.2 16.0 -2.7 57 146 A T T X5S+ 0 0 67 -4,-0.7 4,-2.4 3,-0.1 -3,-0.2 0.734 125.2 20.5-110.3 -81.8 -9.3 16.8 0.9 58 147 A L H >5S+ 0 0 36 -5,-0.2 4,-2.5 1,-0.2 5,-0.2 0.827 123.9 51.2 -62.1 -41.3 -6.1 15.4 2.4 59 148 A L H >S+ 0 0 26 -4,-2.1 5,-1.9 2,-0.2 3,-0.3 0.911 115.6 43.7 -60.7 -44.5 7.6 24.7 0.6 70 159 A N H ><5S+ 0 0 33 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.890 109.1 56.8 -72.5 -36.5 9.4 24.0 -2.7 71 160 A Q H 3<5S+ 0 0 142 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.680 103.5 56.8 -67.9 -15.7 8.3 27.3 -4.2 72 161 A A T 3<5S- 0 0 90 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.508 130.0 -93.7 -90.4 -8.8 10.1 29.0 -1.2 73 162 A G T < 5 - 0 0 56 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.585 54.0-178.4 107.5 20.0 13.3 27.3 -2.1 74 163 A A < - 0 0 31 -5,-1.9 -1,-0.2 1,-0.1 -65,-0.0 -0.130 26.7-123.4 -49.2 144.0 13.4 24.1 0.0 75 164 A N S S+ 0 0 140 1,-0.2 2,-0.2 2,-0.1 -67,-0.1 -0.900 96.2 18.5-145.9 117.4 16.6 22.2 -0.6 76 165 A P S S- 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -68,-0.2 0.548 108.7-113.1 -71.2 169.0 16.5 19.5 -1.5 77 166 A Q - 0 0 71 -70,-0.5 -68,-2.9 -2,-0.2 2,-0.3 -0.321 32.5-109.9 -61.8 155.8 12.9 19.8 -2.7 78 167 A Y E -a 9 0A 60 -12,-0.3 51,-0.4 -70,-0.2 2,-0.3 -0.685 28.0-157.4 -88.2 153.7 10.2 17.8 -0.9 79 168 A A E -a 10 0A 0 -70,-2.5 -68,-2.1 -2,-0.3 2,-0.2 -0.893 14.8-123.6-123.3 148.7 8.5 14.7 -2.5 80 169 A A E - c 0 130B 1 49,-2.3 51,-2.7 -2,-0.3 2,-0.4 -0.563 12.6-157.3 -91.4 153.3 5.2 13.2 -1.5 81 170 A Q E + c 0 131B 7 -2,-0.2 -34,-2.6 -70,-0.2 2,-0.4 -0.974 22.9 170.4-132.0 111.4 4.6 9.5 -0.5 82 171 A I E -bc 47 132B 2 49,-2.9 51,-2.0 -2,-0.4 2,-0.5 -0.967 25.0-146.1-131.4 142.9 1.1 8.2 -1.0 83 172 A V E -bc 48 133B 0 -36,-2.7 -34,-2.7 -2,-0.4 2,-0.7 -0.928 9.9-147.3-109.1 133.6 -0.7 4.9 -0.9 84 173 A V E +bc 49 134B 0 49,-2.9 51,-2.4 -2,-0.5 2,-0.1 -0.876 35.6 154.7 -95.6 116.2 -3.6 4.0 -3.2 85 174 A Y + 0 0 16 -36,-1.1 -2,-0.1 -2,-0.7 49,-0.0 -0.574 28.1 95.6-147.4 75.5 -5.8 1.7 -1.1 86 175 A D + 0 0 0 -2,-0.1 -1,-0.1 13,-0.1 28,-0.1 0.067 38.2 157.5-153.0 32.2 -9.5 1.6 -2.0 87 176 A L > - 0 0 1 -3,-0.1 3,-0.8 1,-0.1 14,-0.3 -0.308 51.9-103.9 -54.9 146.1 -10.1 -1.4 -4.3 88 177 A P T 3 S+ 0 0 0 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.455 111.5 21.9 -67.3 143.9 -13.7 -2.7 -4.2 89 178 A D T 3 S- 0 0 33 12,-2.3 3,-0.4 -2,-0.1 13,-0.1 0.917 98.2-172.4 56.9 45.0 -13.9 -5.9 -2.2 90 179 A R < + 0 0 13 -3,-0.8 9,-0.2 11,-0.5 4,-0.1 -0.158 57.0 22.9 -66.0 157.6 -10.7 -4.8 -0.5 91 180 A D S > S- 0 0 19 45,-0.2 3,-2.2 7,-0.1 -1,-0.2 0.884 75.6-177.5 50.0 53.1 -8.8 -7.0 1.9 92 181 A a T 3 S+ 0 0 4 -3,-0.4 59,-0.3 1,-0.3 58,-0.2 0.668 72.7 47.3 -58.6 -30.1 -10.3 -10.1 0.4 93 182 A A T 3 S+ 0 0 40 57,-0.1 -1,-0.3 58,-0.1 2,-0.2 0.437 116.3 39.8 -97.6 10.9 -8.7 -12.7 2.7 94 183 A A < - 0 0 20 -3,-2.2 232,-0.1 -4,-0.1 233,-0.1 -0.807 64.2-140.0-143.4 176.6 -9.5 -10.9 6.0 95 184 A A S > S+ 0 0 31 -2,-0.2 3,-1.5 230,-0.1 232,-0.1 0.697 82.0 80.1-112.0 -22.0 -12.3 -8.9 7.6 96 185 A A T 3 S+ 0 0 0 1,-0.3 246,-0.5 221,-0.0 222,-0.2 0.743 100.7 32.1 -61.9 -38.0 -10.4 -6.1 9.4 97 186 A S T 3 S+ 0 0 24 -6,-0.2 -1,-0.3 220,-0.1 -5,-0.1 -0.066 75.7 153.5-112.3 28.4 -9.7 -3.7 6.5 98 187 A N < - 0 0 57 -3,-1.5 -7,-0.1 -7,-0.1 2,-0.1 -0.360 38.9-132.0 -54.1 141.7 -12.8 -4.3 4.4 99 188 A G - 0 0 16 2,-0.3 -10,-0.1 -12,-0.2 -1,-0.1 -0.252 16.9 -99.0 -95.4-179.7 -13.4 -1.1 2.4 100 189 A E S S+ 0 0 97 -2,-0.1 2,-0.4 -12,-0.0 -49,-0.1 0.641 98.0 67.9 -74.2 -19.2 -16.3 1.2 1.6 101 190 A W - 0 0 36 -14,-0.3 -12,-2.3 -15,-0.1 -11,-0.5 -0.830 60.0-162.1-114.5 149.1 -16.9 -0.2 -1.9 102 191 A A > > - 0 0 38 -2,-0.4 3,-1.7 3,-0.3 5,-1.6 -0.963 24.7-134.1-124.7 141.7 -18.2 -3.6 -3.1 103 192 A I G > 5S+ 0 0 43 -2,-0.4 3,-0.6 1,-0.3 5,-0.4 0.898 109.3 57.0 -58.2 -38.0 -17.9 -5.2 -6.5 104 193 A A G 3 5S+ 0 0 103 1,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.609 106.3 52.4 -71.0 -10.3 -21.6 -6.1 -6.3 105 194 A N G < 5S- 0 0 127 -3,-1.7 -3,-0.3 0, 0.0 -1,-0.3 -0.483 132.6 -75.4-126.9 59.4 -22.5 -2.4 -5.8 106 195 A N T <>5S+ 0 0 84 -3,-0.6 4,-2.1 1,-0.1 -3,-0.2 0.704 82.0 146.1 59.8 29.7 -20.8 -0.6 -8.7 107 196 A G H >< + 0 0 0 -5,-1.6 4,-2.4 1,-0.2 -4,-0.2 0.850 65.8 56.2 -63.0 -39.9 -17.4 -0.8 -7.0 108 197 A V H > S+ 0 0 28 -5,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.935 111.2 42.9 -60.5 -45.2 -15.6 -1.1 -10.3 109 198 A N H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.878 113.1 52.8 -70.2 -32.4 -17.0 2.2 -11.6 110 199 A N H X S+ 0 0 50 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.902 111.0 47.7 -67.4 -40.0 -16.5 3.9 -8.3 111 200 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.921 108.7 52.2 -69.3 -46.2 -12.8 2.8 -8.3 112 201 A K H X S+ 0 0 46 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.893 111.3 48.4 -57.5 -39.7 -12.2 3.9 -11.9 113 202 A A H X S+ 0 0 55 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.913 110.1 51.8 -67.5 -38.0 -13.6 7.4 -11.0 114 203 A Y H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.957 112.4 45.7 -60.4 -47.4 -11.4 7.5 -7.9 115 204 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.910 111.6 52.5 -62.6 -42.5 -8.3 6.7 -10.0 116 205 A N H X S+ 0 0 59 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.901 110.5 47.1 -63.0 -39.2 -9.4 9.3 -12.6 117 206 A R H X S+ 0 0 90 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.912 110.5 52.1 -69.8 -39.8 -9.7 12.0 -9.9 118 207 A I H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.945 109.8 50.6 -57.9 -46.4 -6.4 11.1 -8.4 119 208 A R H X S+ 0 0 82 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.924 109.1 50.2 -56.7 -48.9 -4.8 11.4 -11.9 120 209 A E H X S+ 0 0 119 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.922 113.3 46.8 -57.0 -44.4 -6.4 14.8 -12.5 121 210 A I H X S+ 0 0 4 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.942 111.5 49.5 -63.8 -46.9 -5.0 16.0 -9.1 122 211 A L H < S+ 0 0 1 -4,-3.1 6,-0.2 1,-0.2 -1,-0.2 0.864 109.5 53.3 -64.3 -31.5 -1.5 14.6 -9.8 123 212 A I H >< S+ 0 0 76 -4,-2.3 3,-1.4 -5,-0.2 -1,-0.2 0.932 107.3 50.5 -67.9 -40.8 -1.5 16.3 -13.2 124 213 A S H 3< S+ 0 0 65 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.873 115.4 44.9 -63.8 -34.3 -2.4 19.6 -11.5 125 214 A F T >< S+ 0 0 13 -4,-2.0 3,-2.2 1,-0.2 -1,-0.3 -0.121 70.0 134.4-102.5 42.9 0.5 19.0 -9.1 126 215 A S T < + 0 0 55 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.672 65.5 67.0 -63.1 -17.5 3.1 17.8 -11.7 127 216 A D T 3 S+ 0 0 77 -3,-0.3 2,-0.6 -4,-0.1 -1,-0.3 0.529 88.7 77.6 -80.7 -6.8 5.7 20.1 -10.1 128 217 A V S < S- 0 0 0 -3,-2.2 2,-0.2 -6,-0.2 -49,-0.1 -0.929 85.1-130.5-106.4 112.2 5.6 17.8 -7.0 129 218 A R - 0 0 69 -2,-0.6 -49,-2.3 -51,-0.4 2,-0.5 -0.524 31.0-161.7 -61.8 126.1 7.5 14.5 -7.3 130 219 A T E -cd 80 174B 0 43,-2.2 45,-2.0 -2,-0.2 2,-0.5 -0.968 13.3-161.9-122.9 123.1 5.0 11.9 -6.1 131 220 A I E -cd 81 175B 0 -51,-2.7 -49,-2.9 -2,-0.5 2,-0.4 -0.917 16.6-166.1-102.3 124.2 5.9 8.3 -5.0 132 221 A L E -cd 82 176B 2 43,-3.1 45,-2.3 -2,-0.5 2,-0.5 -0.888 19.9-158.3-117.9 144.6 3.0 5.9 -5.0 133 222 A V E -cd 83 177B 0 -51,-2.0 -49,-2.9 -2,-0.4 2,-0.7 -0.977 26.5-139.7-112.2 120.5 2.4 2.4 -3.5 134 223 A I E -cd 84 178B 3 43,-2.4 45,-1.8 -2,-0.5 -49,-0.1 -0.802 56.9 -39.4 -94.5 117.7 -0.4 0.7 -5.3 135 224 A E > - 0 0 1 -51,-2.4 3,-1.6 -2,-0.7 4,-0.5 0.836 65.6-131.3 35.6 79.3 -2.9 -1.3 -3.3 136 225 A P T 3 S+ 0 0 6 0, 0.0 -45,-0.2 0, 0.0 -1,-0.1 -0.145 84.3 7.2 -49.2 138.0 -1.2 -3.3 -0.5 137 226 A D T 3> S+ 0 0 37 1,-0.1 4,-2.0 -47,-0.1 5,-0.2 0.006 97.2 106.9 76.5 -20.3 -2.1 -6.9 -0.3 138 227 A S H <> S+ 0 0 8 -3,-1.6 4,-1.2 1,-0.2 3,-0.3 0.956 85.2 31.5 -57.7 -63.3 -4.2 -7.1 -3.5 139 228 A L H > S+ 0 0 4 -4,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.844 114.3 60.8 -68.7 -30.3 -2.0 -9.1 -5.8 140 229 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.887 103.5 52.2 -64.2 -35.7 -0.4 -11.1 -3.1 141 230 A N H X S+ 0 0 6 -4,-2.0 4,-2.6 -3,-0.3 -1,-0.2 0.852 102.7 59.7 -67.0 -32.6 -3.8 -12.5 -2.3 142 231 A M H < S+ 0 0 21 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.861 107.2 47.3 -62.5 -33.1 -4.2 -13.4 -5.9 143 232 A V H < S+ 0 0 35 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.942 129.3 16.0 -72.6 -49.9 -1.2 -15.7 -5.6 144 233 A T H < S+ 0 0 38 -4,-1.8 3,-0.2 1,-0.1 -2,-0.2 0.558 119.9 55.7-108.9 -9.6 -2.0 -17.5 -2.4 145 234 A N >< + 0 0 35 -4,-2.6 3,-1.7 -5,-0.2 7,-0.4 -0.022 55.4 120.0-120.2 40.7 -5.7 -17.1 -1.7 146 235 A M T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -3,-0.2 6,-0.1 0.745 75.4 64.4 -74.5 -13.4 -7.6 -18.2 -4.8 147 236 A N T 3 S+ 0 0 126 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.551 83.5 91.6 -80.5 -9.9 -9.3 -20.8 -2.5 148 237 A V S <> S- 0 0 33 -3,-1.7 4,-3.0 1,-0.1 3,-0.5 -0.804 76.8-139.6 -91.8 121.1 -10.9 -17.9 -0.6 149 238 A P H > S+ 0 0 105 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.876 100.1 48.3 -47.8 -51.0 -14.3 -17.1 -2.0 150 239 A K H > S+ 0 0 65 -58,-0.2 4,-1.4 1,-0.2 -57,-0.1 0.881 115.6 46.5 -58.4 -41.4 -14.0 -13.3 -1.7 151 240 A a H > S+ 0 0 0 -3,-0.5 4,-1.3 -59,-0.3 3,-0.4 0.959 113.0 45.6 -71.7 -42.2 -10.6 -13.4 -3.4 152 241 A S H >< S+ 0 0 56 -4,-3.0 3,-0.6 -7,-0.4 4,-0.4 0.942 113.0 53.5 -67.4 -33.8 -11.5 -15.7 -6.3 153 242 A G H 3< S+ 0 0 53 -4,-2.7 -1,-0.2 -5,-0.3 4,-0.2 0.832 115.3 39.6 -65.1 -31.1 -14.6 -13.6 -6.8 154 243 A A H 3X S+ 0 0 0 -4,-1.4 4,-3.4 -3,-0.4 3,-0.2 0.518 87.2 99.2 -98.2 -6.5 -12.5 -10.5 -7.0 155 244 A A H S+ 0 0 92 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.866 116.2 50.1 -65.5 -32.6 -10.6 -10.6 -12.5 157 246 A T H > S+ 0 0 15 -3,-0.2 4,-2.9 -4,-0.2 5,-0.3 0.944 109.0 51.1 -71.2 -45.2 -11.6 -7.2 -11.0 158 247 A Y H X S+ 0 0 2 -4,-3.4 4,-1.9 1,-0.2 5,-0.2 0.887 112.1 47.5 -58.2 -42.1 -8.3 -6.9 -9.2 159 248 A R H X S+ 0 0 111 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.970 114.8 45.2 -65.6 -48.2 -6.4 -7.6 -12.4 160 249 A E H X S+ 0 0 82 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.904 116.2 44.9 -59.2 -46.7 -8.5 -5.1 -14.5 161 250 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.807 110.3 54.2 -72.5 -30.1 -8.3 -2.3 -11.9 162 251 A T H X S+ 0 0 3 -4,-1.9 4,-2.7 -5,-0.3 5,-0.2 0.950 111.1 45.7 -66.4 -47.6 -4.6 -2.7 -11.3 163 252 A I H X S+ 0 0 20 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.899 111.9 53.1 -58.7 -40.0 -3.9 -2.4 -15.0 164 253 A Y H X S+ 0 0 54 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.931 111.2 45.9 -60.2 -47.5 -6.2 0.6 -15.1 165 254 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.903 109.6 53.3 -64.8 -41.8 -4.4 2.3 -12.2 166 255 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.897 116.0 40.5 -62.2 -39.0 -0.9 1.6 -13.6 167 256 A K H >< S+ 0 0 116 -4,-2.0 3,-0.9 -5,-0.2 -2,-0.2 0.905 115.9 47.8 -74.2 -45.9 -1.9 3.2 -17.0 168 257 A Q H 3< S+ 0 0 53 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.801 116.3 44.0 -67.6 -29.1 -3.9 6.1 -15.6 169 258 A L T 3< S+ 0 0 0 -4,-2.4 2,-1.7 -5,-0.2 -1,-0.2 0.322 77.6 117.5-100.0 12.0 -1.2 7.1 -13.1 170 259 A D < + 0 0 34 -3,-0.9 40,-0.1 -5,-0.1 5,-0.1 -0.586 45.8 150.9 -78.5 82.5 1.7 6.7 -15.5 171 260 A L > - 0 0 9 -2,-1.7 3,-1.8 3,-0.0 -2,-0.1 -0.866 58.4-107.5-119.2 157.6 2.7 10.4 -15.3 172 261 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.768 115.8 37.5 -56.6 -31.7 6.1 12.2 -15.7 173 262 A H T 3 S+ 0 0 23 -51,-0.1 -43,-2.2 -45,-0.1 2,-0.3 0.282 100.4 96.2-108.4 15.4 6.6 13.1 -12.1 174 263 A V E < -d 130 0B 10 -3,-1.8 2,-0.4 -45,-0.2 -43,-0.2 -0.803 49.6-166.9-111.9 140.1 5.2 9.9 -10.6 175 264 A A E -d 131 0B 11 -45,-2.0 -43,-3.1 -2,-0.3 2,-0.4 -1.000 15.3-159.8-122.0 125.7 7.0 6.7 -9.5 176 265 A M E -de 132 212B 0 35,-2.5 37,-2.3 -2,-0.4 38,-1.5 -0.890 11.7-173.0-112.3 140.4 4.8 3.6 -8.8 177 266 A Y E -de 133 214B 0 -45,-2.3 -43,-2.4 -2,-0.4 38,-0.3 -0.990 19.1-140.5-127.4 120.8 5.6 0.6 -6.7 178 267 A M E -de 134 215B 2 36,-2.6 38,-2.6 -2,-0.5 2,-0.1 -0.595 29.4-107.8 -79.8 140.6 3.2 -2.4 -6.8 179 268 A D E - e 0 216B 2 -45,-1.8 -40,-0.2 -2,-0.3 38,-0.2 -0.465 35.5-178.1 -65.9 142.0 2.7 -4.1 -3.4 180 269 A A - 0 0 0 36,-2.7 6,-0.2 1,-0.4 5,-0.1 -0.166 32.2-124.4-137.8 44.3 4.3 -7.5 -3.4 181 270 A G - 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