==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-NOV-12 4I5U . COMPND 2 MOLECULE: CHIMERIC CEL6A; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA INSOLENS, TRICHODERMA REESEI, . AUTHOR F.H.ARNOLD,I.WU . 358 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 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 . 24 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 1 0 1 0 0 2 1 0 0 0 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 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 PARALLEL BRIDGES PER LADDER . 3 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 . 1 0 0 0 0 0 1 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 G 0 0 104 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.6 -15.7 -14.0 -7.3 2 91 A N > - 0 0 28 1,-0.2 3,-1.9 2,-0.1 290,-0.0 -0.580 360.0-153.0 -76.8 117.1 -15.4 -13.5 -3.5 3 92 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.2 0, 0.0 168,-0.0 0.638 92.7 60.4 -67.1 -10.9 -19.1 -13.6 -2.3 4 93 A F T > S+ 0 0 8 288,-0.1 3,-0.7 296,-0.1 2,-0.3 0.485 86.0 91.8 -87.8 -11.9 -18.2 -11.5 0.7 5 94 A E T < S+ 0 0 109 -3,-1.9 3,-0.1 1,-0.2 296,-0.0 -0.673 88.8 20.3 -84.9 138.2 -16.9 -8.6 -1.5 6 95 A G T 3 S+ 0 0 64 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.611 111.0 82.0 90.8 1.8 -19.5 -5.8 -2.4 7 96 A V < - 0 0 30 -3,-0.7 2,-0.3 68,-0.0 -1,-0.2 -0.984 68.3-132.1-133.8 155.1 -21.9 -6.6 0.5 8 97 A Q E -a 74 0A 109 65,-2.4 67,-2.5 -2,-0.3 2,-0.5 -0.696 32.1-116.6 -90.1 167.7 -22.3 -5.9 4.1 9 98 A L E -a 75 0A 24 -2,-0.3 2,-0.3 65,-0.2 67,-0.2 -0.847 26.8-121.7-108.4 129.1 -23.1 -8.8 6.5 10 99 A W - 0 0 44 65,-2.5 2,-0.7 -2,-0.5 67,-0.2 -0.527 11.9-145.5 -72.5 131.5 -26.4 -8.7 8.3 11 100 A A - 0 0 33 -2,-0.3 34,-0.1 32,-0.2 -1,-0.1 -0.874 32.3-131.3 -91.0 115.0 -26.3 -8.7 12.1 12 101 A N > - 0 0 7 -2,-0.7 4,-1.8 32,-0.5 5,-0.1 -0.288 6.7-130.2 -82.9 151.7 -29.4 -10.7 13.0 13 102 A N H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.653 101.2 66.9 -68.6 -16.6 -32.1 -9.8 15.5 14 103 A Y H > S+ 0 0 79 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.967 108.4 37.6 -68.0 -52.3 -32.1 -13.2 17.2 15 104 A Y H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.928 115.7 54.5 -62.8 -43.3 -28.6 -12.6 18.6 16 105 A R H X S+ 0 0 115 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.911 107.8 49.9 -59.6 -40.1 -29.3 -9.0 19.2 17 106 A S H X>S+ 0 0 39 -4,-2.1 4,-2.9 2,-0.2 5,-0.6 0.864 108.2 52.9 -69.1 -35.4 -32.4 -9.9 21.2 18 107 A E H X>S+ 0 0 13 -4,-2.0 4,-1.9 2,-0.2 5,-1.6 0.953 113.8 43.5 -61.0 -43.4 -30.3 -12.4 23.3 19 108 A V H <>S+ 0 0 0 -4,-2.3 5,-3.0 3,-0.2 4,-0.2 0.943 121.0 39.2 -63.8 -53.1 -27.8 -9.7 24.1 20 109 A H H <5S+ 0 0 54 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.857 126.1 33.3 -70.2 -37.7 -30.4 -7.0 24.8 21 110 A T H <5S+ 0 0 91 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.791 133.6 21.9 -89.3 -30.8 -33.0 -9.1 26.7 22 111 A L T < - 0 0 81 1,-0.2 4,-2.6 2,-0.1 5,-0.2 -0.374 67.9-146.2 -67.3 124.8 -20.9 -1.7 34.7 30 119 A P H > S+ 0 0 100 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.893 97.9 51.5 -62.1 -38.3 -21.7 1.0 32.1 31 120 A A H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.889 111.9 46.4 -65.5 -42.6 -18.6 0.4 30.0 32 121 A L H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.883 109.8 54.7 -68.1 -30.7 -19.4 -3.4 29.8 33 122 A R H X S+ 0 0 107 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.914 109.8 46.3 -65.9 -41.1 -23.0 -2.6 28.9 34 123 A A H X S+ 0 0 62 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.906 111.0 52.7 -66.8 -40.7 -21.9 -0.5 26.0 35 124 A A H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.903 108.9 50.8 -56.4 -42.2 -19.4 -3.1 25.0 36 125 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.914 108.3 51.0 -63.2 -40.9 -22.2 -5.7 25.0 37 126 A S H < S+ 0 0 31 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.902 110.7 49.3 -66.1 -35.5 -24.4 -3.5 22.8 38 127 A A H >< S+ 0 0 32 -4,-2.2 3,-1.5 1,-0.2 4,-0.4 0.893 106.9 54.9 -67.9 -44.8 -21.6 -3.1 20.4 39 128 A A H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.884 101.1 60.1 -54.3 -36.6 -21.0 -6.9 20.3 40 129 A A T 3< S+ 0 0 4 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.657 100.8 56.1 -67.5 -13.2 -24.7 -7.4 19.3 41 130 A E T < S+ 0 0 131 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.472 81.5 98.7 -94.4 -0.9 -24.0 -5.3 16.2 42 131 A V S < S- 0 0 13 -3,-1.5 2,-0.7 -4,-0.4 -32,-0.1 -0.752 84.1-117.9 -85.1 125.5 -21.2 -7.5 15.0 43 132 A P + 0 0 27 0, 0.0 261,-0.6 0, 0.0 2,-0.2 -0.523 41.6 171.5 -79.0 115.7 -22.8 -9.8 12.3 44 133 A S B -b 304 0B 3 -2,-0.7 -32,-0.5 -4,-0.1 261,-0.2 -0.686 37.8 -87.5-114.7 161.0 -22.6 -13.5 13.2 45 134 A F - 0 0 1 259,-2.5 2,-0.5 -2,-0.2 33,-0.2 -0.355 31.4-132.9 -70.8 147.6 -24.2 -16.5 11.5 46 135 A L E -c 78 0C 7 31,-2.5 33,-2.4 260,-0.1 2,-0.5 -0.874 24.6-134.3 -99.8 127.7 -27.8 -17.7 12.4 47 136 A W E -c 79 0C 38 -2,-0.5 2,-1.0 31,-0.2 3,-0.2 -0.724 13.2-161.4 -90.3 127.3 -27.9 -21.5 13.0 48 137 A L E +c 80 0C 0 31,-2.9 33,-1.2 -2,-0.5 -1,-0.1 -0.556 32.7 151.9 -99.9 69.0 -30.6 -23.6 11.5 49 138 A D + 0 0 46 -2,-1.0 47,-0.4 31,-0.1 2,-0.3 0.521 62.5 29.3 -90.4 0.6 -30.1 -26.5 13.8 50 139 A T S > S- 0 0 31 -3,-0.2 3,-1.8 45,-0.1 4,-0.4 -0.958 82.9-112.6-141.5 163.6 -33.8 -27.7 13.7 51 140 A L G > S+ 0 0 41 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.846 116.3 66.8 -60.9 -36.8 -36.5 -27.6 11.2 52 141 A D G 3 S+ 0 0 132 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.621 93.0 61.1 -65.7 -4.5 -38.3 -25.3 13.6 53 142 A K G X> S+ 0 0 44 -3,-1.8 4,-1.4 1,-0.2 3,-1.1 0.567 78.9 86.1 -91.1 -9.6 -35.6 -22.7 12.9 54 143 A T H <> S+ 0 0 10 -3,-1.8 4,-1.9 -4,-0.4 3,-0.3 0.889 82.4 57.7 -64.0 -31.7 -36.3 -22.5 9.3 55 144 A P H 3> S+ 0 0 74 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.819 102.4 57.5 -58.8 -34.7 -39.0 -19.8 9.9 56 145 A L H <> S+ 0 0 51 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.859 103.4 52.3 -62.7 -38.9 -36.2 -17.8 11.5 57 146 A M H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.3 5,-0.2 0.950 111.2 47.3 -62.7 -46.3 -34.3 -18.0 8.3 58 147 A E H X S+ 0 0 72 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.901 113.0 47.6 -63.5 -43.4 -37.3 -16.7 6.4 59 148 A Q H X S+ 0 0 111 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.858 111.3 51.5 -63.7 -38.3 -37.9 -13.9 8.9 60 149 A T H X S+ 0 0 9 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.932 110.4 47.2 -65.7 -43.9 -34.2 -12.9 8.8 61 150 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.883 109.4 55.1 -67.9 -34.5 -34.3 -12.7 5.0 62 151 A A H X S+ 0 0 23 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.915 108.4 48.8 -63.0 -40.2 -37.5 -10.7 5.1 63 152 A D H X S+ 0 0 48 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.914 111.9 49.1 -64.9 -37.0 -35.7 -8.2 7.4 64 153 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 10,-0.2 0.905 107.3 53.7 -66.8 -42.3 -32.8 -8.1 5.0 65 154 A R H X S+ 0 0 71 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.933 110.7 48.0 -57.7 -45.1 -35.1 -7.5 1.9 66 155 A T H X S+ 0 0 89 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.952 112.9 47.7 -62.3 -48.3 -36.6 -4.5 3.8 67 156 A A H <>S+ 0 0 22 -4,-2.4 5,-2.7 1,-0.2 3,-0.4 0.929 114.6 47.2 -59.0 -42.8 -33.1 -3.2 4.7 68 157 A N H ><5S+ 0 0 38 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.863 106.4 54.2 -75.3 -34.8 -31.9 -3.7 1.0 69 158 A K H 3<5S+ 0 0 157 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.781 108.5 54.7 -67.2 -20.1 -34.9 -2.0 -0.6 70 159 A N T 3<5S- 0 0 133 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.093 139.3 -78.9 -97.5 24.1 -34.0 0.9 1.7 71 160 A G T < 5S+ 0 0 69 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.347 87.5 135.1 104.6 -11.5 -30.4 1.1 0.4 72 161 A G < - 0 0 24 -5,-2.7 -1,-0.3 -6,-0.2 -8,-0.0 -0.258 41.3-160.5 -66.3 161.6 -28.8 -1.7 2.3 73 162 A N + 0 0 71 2,-0.1 -65,-2.4 51,-0.0 2,-0.2 -0.272 37.3 155.6-133.0 52.6 -26.5 -4.1 0.6 74 163 A Y E -a 8 0A 65 -10,-0.2 51,-0.4 -67,-0.2 2,-0.3 -0.516 30.2-156.0 -90.4 146.7 -26.7 -6.9 3.2 75 164 A A E -a 9 0A 0 -67,-2.5 -65,-2.5 -2,-0.2 51,-0.2 -0.886 20.9-123.6-108.1 147.7 -26.1 -10.6 2.7 76 165 A G E - d 0 126C 0 49,-2.5 51,-2.9 -2,-0.3 2,-0.4 -0.574 16.6-152.3 -89.6 154.3 -27.6 -13.2 5.1 77 166 A Q E + d 0 127C 7 -33,-0.2 -31,-2.5 -2,-0.2 2,-0.3 -0.979 22.8 165.5-130.5 117.2 -25.4 -15.7 7.0 78 167 A F E -cd 46 128C 0 49,-2.5 51,-2.2 -2,-0.4 2,-0.5 -0.978 29.5-140.0-135.4 151.4 -26.8 -19.1 7.9 79 168 A V E -cd 47 129C 0 -33,-2.4 -31,-2.9 -2,-0.3 2,-0.6 -0.935 11.3-150.0-108.6 125.4 -25.6 -22.5 9.2 80 169 A V E +cd 48 130C 0 49,-2.8 51,-2.8 -2,-0.5 -31,-0.1 -0.834 35.4 154.5 -91.3 113.5 -27.3 -25.7 7.7 81 170 A Y + 0 0 33 -33,-1.2 49,-0.1 -2,-0.6 -2,-0.0 -0.465 26.7 98.8-151.0 72.1 -26.9 -28.1 10.7 82 171 A D + 0 0 0 13,-0.1 28,-0.1 -32,-0.1 -1,-0.1 0.100 37.2 156.1-149.6 31.0 -29.5 -30.9 10.8 83 172 A L > - 0 0 0 1,-0.1 3,-0.9 -3,-0.1 14,-0.4 -0.236 51.7-103.1 -56.7 148.7 -28.0 -34.2 9.4 84 173 A P T 3 S+ 0 0 0 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.478 111.6 19.2 -69.7 148.5 -29.6 -37.4 10.6 85 174 A D T 3 S- 0 0 26 12,-2.4 3,-0.3 1,-0.1 13,-0.1 0.914 99.9-163.9 51.0 43.8 -27.4 -39.1 13.2 86 175 A R < + 0 0 11 -3,-0.9 9,-0.2 11,-0.6 -1,-0.1 -0.176 61.9 17.5 -55.5 146.7 -25.8 -35.7 13.6 87 176 A D S > S- 0 0 9 46,-0.5 3,-1.9 45,-0.2 -1,-0.2 0.945 76.5-174.0 61.6 50.6 -22.4 -35.5 15.3 88 177 A a T 3 S+ 0 0 3 -3,-0.3 59,-0.3 1,-0.3 58,-0.2 0.714 75.8 43.0 -61.5 -28.7 -21.7 -39.2 14.8 89 178 A A T 3 S+ 0 0 29 44,-0.2 -1,-0.3 57,-0.1 2,-0.1 0.512 92.3 104.9 -92.1 -6.1 -18.5 -39.4 16.9 90 179 A A S < S- 0 0 33 -3,-1.9 3,-0.1 1,-0.1 233,-0.0 -0.411 75.1-128.7 -77.8 154.0 -19.7 -37.2 19.8 91 180 A L S S+ 0 0 112 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.717 95.8 17.0 -71.3 -15.9 -20.7 -38.6 23.1 92 181 A A - 0 0 21 -5,-0.1 2,-0.4 229,-0.1 -1,-0.2 -0.989 69.1-168.5-152.0 144.0 -24.0 -36.7 23.0 93 182 A S - 0 0 28 -2,-0.3 228,-0.1 2,-0.1 -6,-0.1 -1.000 20.0-157.9-134.8 145.3 -25.9 -35.0 20.1 94 183 A N + 0 0 76 -2,-0.4 2,-0.1 227,-0.0 -7,-0.1 0.252 50.0 133.9 -92.5 6.1 -28.8 -32.7 20.0 95 184 A G - 0 0 23 -9,-0.2 -2,-0.1 1,-0.1 -45,-0.1 -0.378 48.9-149.2 -63.2 141.2 -29.7 -33.6 16.4 96 185 A E + 0 0 80 -47,-0.4 2,-0.4 -2,-0.1 -1,-0.1 0.640 69.9 71.3 -83.7 -16.9 -33.4 -34.2 16.1 97 186 A Y - 0 0 29 -14,-0.4 -12,-2.4 -15,-0.1 -11,-0.6 -0.826 58.8-159.3-115.3 145.2 -33.3 -36.8 13.2 98 187 A S > > - 0 0 48 3,-0.4 5,-1.8 -2,-0.4 3,-0.9 -0.962 19.2-138.8-117.3 134.3 -32.1 -40.4 13.2 99 188 A I G > 5S+ 0 0 41 -2,-0.4 3,-0.6 1,-0.3 5,-0.4 0.908 106.6 52.9 -56.9 -43.6 -31.1 -42.4 10.1 100 189 A A G 3 5S+ 0 0 101 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.741 109.0 52.6 -68.3 -21.1 -32.9 -45.5 11.3 101 190 A D G < 5S- 0 0 137 -3,-0.9 -3,-0.4 1,-0.0 -1,-0.2 -0.568 134.5 -69.3-114.9 59.0 -36.2 -43.5 11.8 102 191 A G T <>5S+ 0 0 43 -3,-0.6 4,-2.3 -2,-0.3 5,-0.2 0.665 86.6 143.0 74.1 17.0 -36.9 -41.7 8.5 103 192 A G H >< + 0 0 0 -5,-1.8 4,-2.5 -4,-0.4 -4,-0.2 0.812 67.3 50.2 -66.9 -38.9 -33.8 -39.3 9.0 104 193 A V H > S+ 0 0 53 -5,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.935 113.8 46.0 -66.2 -43.3 -32.7 -39.1 5.4 105 194 A A H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.867 112.0 51.3 -64.0 -39.4 -36.3 -38.3 4.3 106 195 A K H X S+ 0 0 108 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.926 109.4 50.7 -64.3 -39.0 -36.6 -35.7 7.1 107 196 A Y H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.912 106.7 55.4 -64.1 -40.3 -33.3 -34.2 5.9 108 197 A K H X S+ 0 0 109 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.933 109.1 45.8 -56.8 -47.9 -34.7 -34.0 2.4 109 198 A N H X S+ 0 0 72 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.886 111.0 53.7 -63.9 -38.1 -37.7 -32.1 3.6 110 199 A Y H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.944 113.3 42.3 -61.1 -49.6 -35.4 -29.8 5.7 111 200 A I H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.913 112.5 54.3 -64.1 -38.7 -33.3 -29.0 2.6 112 201 A D H X S+ 0 0 53 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.884 108.6 49.4 -61.0 -40.7 -36.4 -28.6 0.5 113 202 A T H X S+ 0 0 39 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.949 111.9 47.7 -63.8 -49.0 -37.7 -26.1 2.9 114 203 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.919 109.1 54.3 -60.4 -42.9 -34.5 -24.1 2.9 115 204 A R H X S+ 0 0 76 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.935 108.1 49.4 -58.7 -43.2 -34.3 -24.2 -0.9 116 205 A Q H X S+ 0 0 114 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.847 111.4 49.2 -67.9 -35.0 -37.8 -22.7 -1.1 117 206 A I H X S+ 0 0 10 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.905 112.1 47.3 -65.9 -42.2 -36.9 -19.9 1.3 118 207 A V H < S+ 0 0 0 -4,-2.7 6,-0.3 1,-0.2 -2,-0.2 0.895 114.4 47.4 -68.4 -39.6 -33.7 -19.1 -0.6 119 208 A V H >< S+ 0 0 58 -4,-2.8 3,-1.6 -5,-0.3 -1,-0.2 0.901 107.3 56.3 -63.0 -42.6 -35.7 -19.1 -3.9 120 209 A E H 3< S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.3 3,-0.2 0.869 116.6 38.1 -55.6 -34.6 -38.4 -16.9 -2.2 121 210 A Y T >< S+ 0 0 21 -4,-1.8 3,-2.4 1,-0.2 -1,-0.3 -0.283 71.6 142.4-110.0 47.5 -35.5 -14.5 -1.5 122 211 A S T < + 0 0 79 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.693 68.2 64.9 -68.5 -12.2 -33.6 -14.9 -4.7 123 212 A D T 3 S+ 0 0 76 -3,-0.2 2,-0.5 -4,-0.1 -1,-0.3 0.494 91.5 78.4 -77.5 -10.6 -32.8 -11.1 -4.5 124 213 A I S < S- 0 0 2 -3,-2.4 2,-0.3 -6,-0.3 -49,-0.1 -0.916 82.7-126.1-109.9 124.4 -30.7 -11.6 -1.4 125 214 A R - 0 0 97 -2,-0.5 -49,-2.5 -51,-0.4 2,-0.5 -0.511 30.2-160.2 -68.5 130.9 -27.2 -13.0 -1.4 126 215 A T E -de 76 170C 0 43,-2.9 45,-2.3 -2,-0.3 2,-0.5 -0.968 7.6-162.9-125.8 115.0 -27.2 -16.0 1.1 127 216 A L E -de 77 171C 0 -51,-2.9 -49,-2.5 -2,-0.5 2,-0.4 -0.891 16.5-171.1-105.6 121.2 -23.9 -17.2 2.6 128 217 A L E -de 78 172C 0 43,-2.8 45,-2.6 -2,-0.5 2,-0.5 -0.942 24.5-154.6-122.5 136.9 -24.2 -20.7 4.1 129 218 A V E -de 79 173C 0 -51,-2.2 -49,-2.8 -2,-0.4 2,-0.8 -0.937 28.7-141.4 -98.4 130.5 -22.0 -23.0 6.1 130 219 A I E -de 80 174C 1 43,-2.6 45,-2.7 -2,-0.5 82,-0.1 -0.826 55.6 -32.7-106.8 111.6 -22.9 -26.5 5.4 131 220 A E > - 0 0 0 -51,-2.8 3,-0.6 -2,-0.8 4,-0.4 0.912 60.2-147.1 59.8 70.4 -23.0 -29.1 8.2 132 221 A P T 3 S+ 0 0 10 0, 0.0 -45,-0.2 0, 0.0 -1,-0.1 -0.244 82.5 20.9 -49.4 149.5 -20.4 -28.5 10.9 133 222 A D T 3 S+ 0 0 43 1,-0.1 -46,-0.5 82,-0.1 -45,-0.3 0.855 104.3 94.1 56.7 46.6 -19.1 -31.7 12.6 134 223 A S S X> S+ 0 0 2 -3,-0.6 3,-1.6 -47,-0.1 4,-0.6 0.519 80.9 26.1-128.9 -86.7 -20.1 -34.0 9.7 135 224 A L H >> S+ 0 0 1 -4,-0.4 3,-1.4 1,-0.3 4,-0.6 0.796 111.0 67.9 -59.5 -31.8 -17.6 -34.9 6.8 136 225 A A H >> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 3,-1.1 0.849 94.5 59.1 -57.2 -32.5 -14.6 -34.4 9.0 137 226 A N H <> S+ 0 0 1 -3,-1.6 4,-2.6 1,-0.3 -1,-0.3 0.788 96.5 61.0 -62.7 -28.6 -15.7 -37.4 11.0 138 227 A L H << S+ 0 0 15 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.664 104.1 51.1 -78.2 -10.1 -15.5 -39.6 7.8 139 228 A V H << S+ 0 0 29 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.920 131.7 6.9 -87.8 -47.3 -11.8 -38.8 7.5 140 229 A T H < S+ 0 0 47 -4,-1.4 3,-0.3 1,-0.1 -2,-0.2 0.590 122.6 57.1-112.9 -17.5 -10.7 -39.7 11.1 141 230 A N >< + 0 0 41 -4,-2.6 3,-2.1 -5,-0.2 7,-0.3 0.050 57.9 115.2-114.6 23.5 -13.6 -41.3 13.0 142 231 A L T 3 S+ 0 0 69 1,-0.3 -1,-0.2 5,-0.2 6,-0.2 0.643 71.9 69.5 -65.7 -13.0 -14.7 -44.3 10.9 143 232 A G T 3 S+ 0 0 80 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.493 80.7 87.7 -79.5 -6.1 -13.5 -46.5 13.8 144 233 A T S X> S- 0 0 49 -3,-2.1 4,-2.6 1,-0.1 3,-0.7 -0.840 81.4-139.2 -90.8 124.3 -16.5 -45.1 15.7 145 234 A P H 3> S+ 0 0 107 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.858 99.3 53.6 -57.1 -38.4 -19.5 -47.4 14.9 146 235 A K H 3> S+ 0 0 83 -58,-0.2 4,-1.4 1,-0.2 -57,-0.1 0.871 112.9 44.6 -64.0 -36.0 -22.1 -44.6 14.6 147 236 A a H <> S+ 0 0 0 -3,-0.7 4,-0.8 -6,-0.3 -1,-0.2 0.914 109.9 53.7 -74.3 -40.7 -19.9 -42.8 12.1 148 237 A A H >< S+ 0 0 37 -4,-2.6 3,-0.7 -7,-0.3 4,-0.3 0.936 114.6 43.6 -56.4 -40.5 -19.1 -46.0 10.1 149 238 A N H 3< S+ 0 0 115 -4,-2.4 3,-0.4 -5,-0.2 4,-0.4 0.826 109.3 56.0 -74.8 -31.5 -22.8 -46.6 9.8 150 239 A A H 3X S+ 0 0 0 -4,-1.4 4,-3.0 1,-0.2 5,-0.3 0.527 79.3 98.4 -80.1 -4.1 -23.6 -42.9 8.9 151 240 A Q H S+ 0 0 79 -3,-0.4 4,-2.6 -4,-0.3 5,-0.2 0.922 116.7 46.3 -65.9 -44.1 -23.8 -43.3 3.2 153 242 A A H > S+ 0 0 7 -4,-0.4 4,-2.9 1,-0.2 5,-0.3 0.909 111.9 50.1 -63.4 -45.1 -26.3 -41.0 4.7 154 243 A Y H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.932 113.3 46.7 -61.4 -46.9 -23.9 -38.2 5.3 155 244 A L H X S+ 0 0 68 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.923 116.1 43.7 -64.9 -41.0 -22.6 -38.4 1.8 156 245 A E H X S+ 0 0 115 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.915 115.2 48.9 -69.0 -39.6 -26.0 -38.5 0.2 157 246 A C H X S+ 0 0 3 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.905 111.6 47.8 -68.5 -41.7 -27.4 -35.8 2.4 158 247 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 5,-0.3 0.910 110.9 52.5 -64.5 -41.1 -24.5 -33.5 1.8 159 248 A N H X S+ 0 0 55 -4,-2.1 4,-1.9 -5,-0.3 5,-0.3 0.929 110.6 48.6 -60.1 -40.7 -24.9 -34.1 -2.0 160 249 A Y H X S+ 0 0 49 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.939 111.8 49.1 -65.6 -42.6 -28.6 -33.2 -1.7 161 250 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.927 113.9 43.7 -59.1 -51.5 -27.8 -30.0 0.2 162 251 A V H < S+ 0 0 0 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.779 119.1 43.6 -75.2 -23.7 -25.1 -28.8 -2.2 163 252 A T H >< S+ 0 0 45 -4,-1.9 3,-1.1 -5,-0.3 -2,-0.2 0.899 116.3 44.1 -83.8 -42.0 -27.1 -29.6 -5.3 164 253 A Q H 3< S+ 0 0 55 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.747 116.7 46.8 -75.6 -23.1 -30.5 -28.3 -4.1 165 254 A L T 3< S+ 0 0 0 -4,-1.8 2,-2.0 -5,-0.3 -1,-0.3 0.278 77.3 117.0-100.3 12.4 -28.9 -25.1 -2.7 166 255 A N < + 0 0 60 -3,-1.1 40,-0.1 -5,-0.1 -1,-0.1 -0.554 45.5 144.3 -79.0 80.5 -26.9 -24.5 -5.9 167 256 A L > - 0 0 17 -2,-2.0 3,-2.0 40,-0.1 -2,-0.0 -0.847 64.1-110.1-124.8 159.2 -28.7 -21.2 -6.7 168 257 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.795 117.0 47.4 -66.8 -20.6 -27.4 -18.0 -8.2 169 258 A N T 3 S+ 0 0 18 -44,-0.1 -43,-2.9 -51,-0.1 2,-0.3 0.410 99.3 89.7 -97.1 6.7 -27.8 -16.0 -4.9 170 259 A V E < -e 126 0C 4 -3,-2.0 2,-0.4 -45,-0.2 -43,-0.2 -0.773 46.1-176.1-109.1 142.7 -26.0 -18.6 -2.7 171 260 A A E -e 127 0C 7 -45,-2.3 -43,-2.8 -2,-0.3 2,-0.4 -0.988 18.1-163.7-125.0 128.1 -22.4 -19.2 -1.8 172 261 A M E -ef 128 208C 0 35,-3.0 38,-1.6 -2,-0.4 37,-1.4 -0.897 13.2-167.1-110.2 143.3 -21.8 -22.4 0.3 173 262 A Y E -ef 129 210C 0 -45,-2.6 -43,-2.6 -2,-0.4 38,-0.3 -0.988 20.4-139.4-125.4 111.9 -18.8 -23.3 2.4 174 263 A L E -ef 130 211C 1 36,-2.5 38,-2.3 -2,-0.5 -43,-0.2 -0.575 30.2-106.9 -64.4 132.9 -18.7 -27.0 3.5 175 264 A D E + f 0 212C 6 -45,-2.7 38,-0.2 -2,-0.3 -40,-0.2 -0.386 39.2 178.3 -60.8 137.3 -17.5 -27.4 7.0 176 265 A A - 0 0 0 36,-2.8 6,-0.3 1,-0.4 -1,-0.1 -0.138 35.1-122.1-134.2 44.6 -13.9 -28.8 7.1 177 266 A G - 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