==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-FEB-03 1OCJ . COMPND 2 MOLECULE: CELLOBIOHYDROLASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA INSOLENS; . AUTHOR A.VARROT,T.P.FRANDSEN,I.VON OSSOWSKI,V.BOYER,H.DRIGUEZ, . 360 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 10.0 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 1 0 0 0 1 2 0 0 0 2 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 91 A G 0 0 105 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 33.3 9.0 21.2 9.0 2 92 A N > - 0 0 23 1,-0.2 3,-1.8 2,-0.1 293,-0.0 -0.531 360.0-148.5 -66.8 118.9 9.4 18.2 11.3 3 93 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.2 0, 0.0 171,-0.0 0.660 96.1 58.9 -67.3 -14.8 6.1 16.4 11.2 4 94 A F T > S+ 0 0 9 299,-0.1 3,-0.7 291,-0.1 2,-0.4 0.574 88.4 91.3 -84.2 -12.7 6.6 15.2 14.8 5 95 A E T < S+ 0 0 139 -3,-1.8 3,-0.1 1,-0.2 299,-0.0 -0.689 89.1 18.8 -84.8 136.3 6.8 18.8 16.1 6 96 A G T 3 S+ 0 0 57 -2,-0.4 70,-0.4 1,-0.3 2,-0.3 0.604 110.2 81.8 86.6 10.6 3.7 20.5 17.3 7 97 A V < - 0 0 22 -3,-0.7 2,-0.3 68,-0.1 -1,-0.3 -0.944 69.7-127.6-138.0 159.6 1.6 17.3 17.8 8 98 A Q E -a 77 0A 64 68,-2.6 70,-2.2 -2,-0.3 2,-0.5 -0.794 33.3-120.7 -95.4 150.8 1.1 14.6 20.3 9 99 A L E -a 78 0A 25 -2,-0.3 2,-0.3 68,-0.2 70,-0.2 -0.824 30.0-113.6 -94.5 131.9 1.4 11.1 19.0 10 100 A W - 0 0 38 68,-2.3 2,-0.7 -2,-0.5 70,-0.1 -0.447 18.2-150.6 -69.5 127.4 -1.7 9.0 19.4 11 101 A A - 0 0 9 -2,-0.3 34,-0.1 32,-0.2 -1,-0.1 -0.896 26.7-134.4 -95.6 114.2 -1.5 6.1 21.8 12 102 A N > - 0 0 7 -2,-0.7 4,-1.6 32,-0.3 5,-0.1 -0.266 5.2-129.7 -79.2 158.5 -3.9 3.6 20.4 13 103 A N H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.633 100.7 66.7 -83.4 -13.8 -6.4 1.7 22.5 14 104 A Y H > S+ 0 0 118 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.959 108.3 38.1 -67.8 -47.6 -5.5 -1.7 21.2 15 105 A Y H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.943 115.4 55.0 -66.2 -48.4 -2.1 -1.6 22.7 16 106 A R H X S+ 0 0 58 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.873 111.6 44.0 -49.7 -43.5 -3.4 0.1 25.9 17 107 A S H X>S+ 0 0 41 -4,-1.9 4,-2.2 2,-0.2 5,-0.5 0.790 108.2 56.6 -83.8 -23.2 -6.0 -2.7 26.4 18 108 A E H X>S+ 0 0 9 -4,-1.8 4,-1.8 3,-0.2 5,-1.0 0.950 113.1 43.4 -63.7 -44.2 -3.5 -5.5 25.7 19 109 A V H X>S+ 0 0 0 -4,-2.5 5,-2.4 3,-0.2 4,-0.5 0.896 119.5 41.5 -68.4 -41.2 -1.3 -4.0 28.5 20 110 A H H <5S+ 0 0 76 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.840 125.6 30.8 -80.6 -31.8 -4.3 -3.4 30.9 21 111 A T H <5S+ 0 0 91 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.815 132.1 25.8 -97.8 -32.7 -6.2 -6.6 30.3 22 112 A L H << - 0 0 75 1,-0.1 4,-2.0 2,-0.0 5,-0.2 -0.907 69.5-149.7 -99.2 119.8 5.8 -6.7 41.4 30 120 A P H > S+ 0 0 102 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.838 99.5 50.3 -52.6 -40.0 4.1 -3.4 42.4 31 121 A A H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.891 109.0 50.0 -67.3 -44.0 6.9 -1.5 40.6 32 122 A L H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.835 109.9 52.9 -63.6 -33.4 6.5 -3.5 37.4 33 123 A R H X S+ 0 0 99 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.904 108.4 48.1 -69.5 -40.3 2.8 -2.9 37.4 34 124 A A H X S+ 0 0 64 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.904 111.2 50.8 -66.6 -42.0 3.1 0.8 37.7 35 125 A A H X S+ 0 0 12 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.890 106.9 55.3 -63.6 -39.9 5.7 0.8 34.9 36 126 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.906 103.7 53.8 -61.5 -41.0 3.3 -1.2 32.7 37 127 A S H < S+ 0 0 46 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.896 110.3 48.2 -60.5 -35.3 0.5 1.3 33.2 38 128 A A H >< S+ 0 0 39 -4,-1.5 3,-1.4 1,-0.2 -2,-0.2 0.906 108.4 53.1 -69.4 -41.0 3.0 4.0 31.9 39 129 A V H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.831 96.4 68.2 -65.9 -32.4 4.0 1.9 28.9 40 130 A A T 3< S+ 0 0 1 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.743 100.7 49.2 -57.3 -22.7 0.4 1.5 27.9 41 131 A E T < S+ 0 0 98 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.310 80.8 111.5 -98.4 -2.1 0.3 5.3 27.1 42 132 A V S < S- 0 0 11 -3,-1.9 2,-0.6 -4,-0.1 -30,-0.2 -0.702 73.3-123.4 -77.3 124.2 3.5 5.3 25.0 43 133 A P + 0 0 23 0, 0.0 264,-0.5 0, 0.0 2,-0.2 -0.616 37.9 174.6 -77.0 114.7 2.4 6.0 21.3 44 134 A S - 0 0 4 -2,-0.6 -32,-0.3 -34,-0.1 36,-0.2 -0.735 33.2 -90.4-113.8 166.6 3.5 3.3 18.9 45 135 A F - 0 0 1 262,-2.2 2,-0.4 -2,-0.2 36,-0.2 -0.356 30.1-136.5 -71.8 153.9 2.9 2.7 15.2 46 136 A Q E -b 81 0B 19 34,-2.5 36,-2.7 -2,-0.1 2,-0.5 -0.874 21.9-130.3-109.3 142.4 0.0 0.7 13.9 47 137 A W E -b 82 0B 41 -2,-0.4 2,-1.0 34,-0.2 3,-0.2 -0.835 19.2-167.6-108.3 126.0 0.7 -1.8 11.0 48 138 A L E +b 83 0B 1 34,-3.0 36,-1.5 -2,-0.5 6,-0.1 -0.532 42.1 139.1 -98.3 64.0 -1.1 -2.3 7.7 49 139 A D + 0 0 52 -2,-1.0 2,-0.3 34,-0.1 50,-0.2 0.409 63.0 44.8 -95.7 2.2 0.6 -5.5 7.1 50 140 A R S > S- 0 0 133 -3,-0.2 3,-1.8 48,-0.1 4,-0.3 -0.984 84.9-122.6-137.8 145.1 -2.5 -7.3 5.8 51 141 A N G > S+ 0 0 69 -2,-0.3 3,-1.7 1,-0.3 4,-0.5 0.830 107.1 66.9 -57.4 -33.7 -5.0 -5.9 3.3 52 142 A V G 3 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.709 88.9 68.2 -62.2 -22.9 -7.9 -6.4 5.7 53 143 A T G X >S+ 0 0 5 -3,-1.8 5,-2.4 1,-0.2 3,-0.8 0.720 84.6 71.6 -66.6 -23.6 -6.4 -3.7 8.0 54 144 A V T < >S+ 0 0 2 -3,-1.7 5,-0.7 -4,-0.3 -1,-0.2 0.944 105.2 33.9 -61.4 -51.3 -7.1 -0.9 5.5 55 145 A D T 3 5S+ 0 0 94 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.312 132.9 31.7 -88.6 10.4 -10.9 -0.8 5.9 56 146 A T T <>5S+ 0 0 72 -3,-0.8 4,-2.8 -4,-0.2 5,-0.2 0.503 124.0 25.1-126.1 -89.3 -10.7 -1.7 9.6 57 147 A L H >5S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.861 122.5 50.1 -53.7 -45.6 -7.7 -0.6 11.7 58 148 A L H >S+ 0 0 24 -4,-2.2 5,-1.7 1,-0.2 4,-0.2 0.917 113.8 47.7 -61.2 -41.5 -10.0 13.3 20.3 69 159 A N H ><5S+ 0 0 13 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.903 110.1 50.2 -68.2 -38.2 -8.9 16.3 18.3 70 160 A Q H 3<5S+ 0 0 138 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.773 103.6 61.3 -71.5 -25.4 -12.4 17.7 17.9 71 161 A A T 3<5S- 0 0 91 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.489 131.2 -90.2 -78.0 -7.1 -12.9 17.3 21.7 72 162 A G T < 5 + 0 0 54 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.602 56.1 179.1 114.2 15.7 -10.0 19.8 22.2 73 163 A A < - 0 0 20 -5,-1.7 -1,-0.2 1,-0.1 3,-0.1 -0.169 26.6-130.1 -49.7 135.2 -6.7 17.8 22.4 74 164 A N S S+ 0 0 149 1,-0.3 2,-0.1 2,-0.1 -67,-0.1 -0.943 93.8 20.4-141.4 112.1 -3.8 20.2 22.8 75 165 A P S S- 0 0 51 0, 0.0 -1,-0.3 0, 0.0 -68,-0.1 0.648 111.4-107.0 -72.8 171.4 -1.6 19.8 21.0 76 166 A Q - 0 0 88 -70,-0.4 -68,-2.6 -2,-0.1 2,-0.3 -0.199 33.7-112.3 -61.0 148.8 -3.5 17.8 18.3 77 167 A Y E -a 8 0A 58 -12,-0.2 51,-0.4 -70,-0.2 2,-0.3 -0.660 27.2-155.9 -81.6 144.2 -2.9 14.1 17.9 78 168 A A E -a 9 0A 0 -70,-2.2 -68,-2.3 -2,-0.3 2,-0.2 -0.885 14.1-122.9-115.1 151.4 -1.1 12.6 14.9 79 169 A A E - c 0 129B 1 49,-2.5 51,-2.9 -2,-0.3 2,-0.4 -0.652 12.9-156.1 -91.5 150.0 -1.4 9.1 13.5 80 170 A Q E + c 0 130B 6 -2,-0.2 -34,-2.5 -36,-0.2 2,-0.4 -0.979 22.2 171.8-130.2 113.7 1.6 6.7 13.0 81 171 A I E -bc 46 131B 1 49,-2.8 51,-2.2 -2,-0.4 2,-0.5 -0.968 25.4-146.5-131.4 139.3 1.1 3.9 10.4 82 172 A V E -bc 47 132B 0 -36,-2.7 -34,-3.0 -2,-0.4 2,-0.6 -0.911 9.5-153.5-103.0 128.4 3.2 1.3 8.7 83 173 A V E +bc 48 133B 0 49,-2.9 51,-2.8 -2,-0.5 -34,-0.1 -0.907 30.8 156.5 -99.0 117.6 2.4 0.4 5.1 84 174 A Y + 0 0 28 -36,-1.5 49,-0.1 -2,-0.6 -2,-0.0 -0.478 26.5 99.3-152.4 75.8 3.7 -3.2 4.6 85 175 A D + 0 0 0 13,-0.1 15,-0.1 -2,-0.1 -1,-0.1 0.129 34.9 156.1-152.8 34.0 2.2 -5.4 1.9 86 176 A L > - 0 0 0 -3,-0.1 3,-0.7 1,-0.1 14,-0.3 -0.277 50.7-105.0 -57.0 148.4 4.5 -5.5 -1.2 87 177 A P T 3 S+ 0 0 0 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.385 109.6 23.7 -72.8 152.9 4.0 -8.5 -3.4 88 178 A D T 3 S- 0 0 34 12,-2.2 3,-0.4 1,-0.1 13,-0.1 0.916 99.8-166.2 51.4 42.7 6.9 -11.1 -3.0 89 179 A R < + 0 0 12 -3,-0.7 9,-0.2 11,-0.6 -1,-0.1 -0.191 58.5 15.6 -59.5 148.4 7.4 -9.4 0.4 90 180 A D S > S- 0 0 8 46,-0.5 3,-2.1 45,-0.2 -1,-0.2 0.944 76.8-173.6 58.0 52.9 10.5 -10.0 2.4 91 181 A a T 3 S+ 0 0 2 -3,-0.4 59,-0.3 45,-0.3 58,-0.2 0.714 75.5 44.8 -60.8 -26.6 12.3 -11.5 -0.7 92 182 A A T 3 S+ 0 0 32 44,-0.2 -1,-0.3 57,-0.1 2,-0.2 0.473 90.7 102.5 -96.6 -3.1 15.5 -12.6 1.1 93 183 A A S < S- 0 0 45 -3,-2.1 3,-0.1 1,-0.1 233,-0.0 -0.565 72.1-135.8 -82.8 142.9 13.7 -14.2 4.1 94 184 A A S S+ 0 0 88 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.826 95.2 23.7 -62.9 -30.2 13.4 -18.0 4.2 95 185 A A S S- 0 0 41 229,-0.0 2,-0.3 -5,-0.0 -1,-0.1 -0.976 71.6-175.5-134.8 145.3 9.8 -17.5 5.3 96 186 A S - 0 0 46 -2,-0.3 -6,-0.1 2,-0.1 -8,-0.0 -0.997 26.5-152.4-141.7 145.6 7.3 -14.5 4.8 97 187 A N + 0 0 66 -2,-0.3 -7,-0.1 227,-0.0 -1,-0.0 0.265 55.4 131.1 -93.5 7.9 3.8 -13.7 6.0 98 188 A G - 0 0 24 -9,-0.2 -2,-0.1 1,-0.1 -13,-0.1 -0.334 48.9-151.6 -60.6 144.3 3.2 -11.5 2.9 99 189 A E + 0 0 88 -50,-0.2 2,-0.3 -13,-0.1 -1,-0.1 0.658 65.5 66.3 -96.5 -12.9 -0.1 -12.3 1.2 100 190 A W - 0 0 39 -14,-0.3 -12,-2.2 -15,-0.1 -11,-0.6 -0.800 56.7-158.8-118.6 155.8 0.6 -11.4 -2.4 101 191 A A > > - 0 0 34 3,-0.3 5,-1.9 -2,-0.3 3,-1.7 -0.982 24.1-135.1-132.6 137.4 2.9 -12.6 -5.2 102 192 A I G > 5S+ 0 0 46 -2,-0.4 3,-0.6 1,-0.3 5,-0.4 0.889 110.2 54.5 -55.2 -42.4 4.1 -10.9 -8.3 103 193 A A G 3 5S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.579 108.5 51.6 -69.9 -10.4 3.2 -14.1 -10.3 104 194 A N G < 5S- 0 0 125 -3,-1.7 -3,-0.3 0, 0.0 -1,-0.2 -0.448 132.2 -74.3-128.4 58.6 -0.4 -14.0 -9.0 105 195 A N T <>5S+ 0 0 91 -3,-0.6 4,-2.5 -5,-0.1 -3,-0.2 0.654 83.6 143.2 64.6 23.5 -1.7 -10.4 -9.7 106 196 A G H >< + 0 0 0 -5,-1.9 4,-2.5 1,-0.2 -4,-0.2 0.828 64.4 55.6 -65.3 -36.4 0.4 -8.9 -6.9 107 197 A V H > S+ 0 0 33 -5,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.952 112.7 42.4 -58.3 -51.3 1.2 -5.7 -8.7 108 198 A N H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.895 113.5 52.6 -62.4 -39.0 -2.5 -5.0 -9.3 109 199 A N H X S+ 0 0 49 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.917 111.5 46.3 -61.3 -44.0 -3.4 -6.0 -5.8 110 200 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.890 110.3 52.1 -67.9 -44.1 -0.8 -3.7 -4.3 111 201 A K H X S+ 0 0 59 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.917 110.1 49.5 -60.4 -41.1 -1.8 -0.7 -6.4 112 202 A A H X S+ 0 0 56 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.864 109.6 52.3 -62.4 -41.0 -5.4 -1.2 -5.4 113 203 A Y H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.934 111.5 45.5 -57.5 -51.2 -4.3 -1.3 -1.7 114 204 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.915 111.7 53.2 -60.8 -41.4 -2.3 1.9 -2.1 115 205 A N H X S+ 0 0 57 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.885 110.3 46.8 -63.9 -38.3 -5.3 3.5 -3.9 116 206 A R H X S+ 0 0 92 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.917 110.4 51.5 -70.8 -42.7 -7.7 2.5 -1.1 117 207 A I H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.930 109.4 52.8 -55.0 -44.0 -5.3 3.8 1.6 118 208 A R H X S+ 0 0 86 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.918 106.5 51.6 -58.9 -47.0 -5.1 7.1 -0.4 119 209 A E H X S+ 0 0 110 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.918 112.7 45.7 -56.0 -43.8 -8.9 7.4 -0.4 120 210 A I H X S+ 0 0 5 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.938 111.7 50.5 -68.4 -44.9 -9.1 6.9 3.3 121 211 A L H >< S+ 0 0 1 -4,-2.9 3,-0.9 1,-0.2 6,-0.2 0.902 108.5 53.5 -61.6 -39.1 -6.2 9.4 4.0 122 212 A I H >< S+ 0 0 77 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.879 106.7 52.2 -62.0 -36.2 -7.9 12.0 1.8 123 213 A S H 3< S+ 0 0 67 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.669 113.0 45.6 -73.6 -14.9 -11.1 11.6 3.9 124 214 A F T X< + 0 0 16 -3,-0.9 3,-2.1 -4,-0.8 -1,-0.3 -0.285 66.7 137.8-120.1 45.3 -9.0 12.2 7.0 125 215 A S T < + 0 0 78 -3,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.617 66.3 68.0 -70.3 -9.0 -7.0 15.2 5.9 126 216 A D T 3 S+ 0 0 71 -3,-0.1 2,-0.6 1,-0.1 -1,-0.3 0.398 88.2 76.0 -84.1 -0.5 -7.6 16.7 9.3 127 217 A V S < S- 0 0 0 -3,-2.1 2,-0.2 -6,-0.2 -49,-0.1 -0.955 83.3-133.2-114.9 108.1 -5.4 14.0 10.9 128 218 A R - 0 0 92 -2,-0.6 -49,-2.5 -51,-0.4 2,-0.5 -0.482 30.8-160.3 -57.6 133.0 -1.6 14.5 10.4 129 219 A T E -cd 79 173B 0 43,-2.3 45,-2.1 -51,-0.2 2,-0.5 -0.969 15.2-162.1-131.6 122.3 -0.4 11.1 9.4 130 220 A I E -cd 80 174B 0 -51,-2.9 -49,-2.8 -2,-0.5 2,-0.4 -0.905 15.6-164.9-105.9 124.7 3.1 9.8 9.5 131 221 A L E -cd 81 175B 1 43,-3.1 45,-2.4 -2,-0.5 2,-0.5 -0.923 18.8-156.4-114.5 135.8 3.8 6.7 7.4 132 222 A V E -cd 82 176B 0 -51,-2.2 -49,-2.9 -2,-0.4 2,-0.7 -0.953 27.6-141.4 -99.7 123.7 6.7 4.2 7.3 133 223 A I E -cd 83 177B 2 43,-2.4 45,-2.4 -2,-0.5 4,-0.1 -0.853 55.5 -33.9 -99.0 112.8 6.8 2.7 3.9 134 224 A E > - 0 0 1 -51,-2.8 3,-0.6 -2,-0.7 4,-0.3 0.886 60.3-143.8 54.2 77.7 7.6 -1.0 3.5 135 225 A P T 3 S+ 0 0 9 0, 0.0 -45,-0.2 0, 0.0 -1,-0.1 -0.200 84.3 20.7 -50.0 147.7 10.0 -2.4 6.0 136 226 A D T 3 S+ 0 0 40 1,-0.1 -46,-0.5 82,-0.1 -45,-0.3 0.876 102.8 99.2 59.3 40.8 12.3 -5.0 4.7 137 227 A S S X S+ 0 0 6 -3,-0.6 3,-1.7 -4,-0.1 4,-0.4 0.528 81.0 19.8-118.3 -90.4 11.9 -4.0 1.0 138 228 A L T >> S+ 0 0 3 -4,-0.3 3,-1.4 1,-0.3 4,-0.7 0.722 110.8 71.9 -64.8 -23.1 14.5 -1.8 -0.8 139 229 A A H >> S+ 0 0 0 1,-0.3 4,-1.3 2,-0.2 3,-1.0 0.858 91.3 62.1 -59.9 -27.3 17.3 -2.5 1.7 140 230 A N H <> S+ 0 0 2 -3,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.784 92.8 63.3 -66.5 -26.9 17.3 -6.0 0.0 141 231 A M H <4 S+ 0 0 25 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.757 102.6 51.1 -69.0 -24.1 18.3 -4.4 -3.3 142 232 A V H << S+ 0 0 28 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.914 132.4 2.8 -78.4 -43.2 21.5 -3.2 -1.7 143 233 A T H < S+ 0 0 41 -4,-1.3 3,-0.3 1,-0.1 -2,-0.2 0.619 123.5 55.9-121.7 -18.8 22.8 -6.5 -0.2 144 234 A N >< + 0 0 42 -4,-2.1 3,-2.0 -5,-0.3 6,-0.3 0.181 61.7 111.5-114.4 17.0 20.5 -9.4 -1.0 145 235 A M T 3 + 0 0 73 1,-0.3 6,-0.3 -5,-0.2 -1,-0.2 0.660 67.8 73.2 -68.2 -15.4 20.3 -9.4 -4.8 146 236 A N T 3 S+ 0 0 125 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.714 78.5 88.6 -64.4 -23.6 22.2 -12.7 -4.9 147 237 A V S X> S- 0 0 42 -3,-2.0 4,-2.1 1,-0.2 3,-0.8 -0.690 83.1-138.5 -76.7 119.5 19.0 -14.3 -3.5 148 238 A P H 3> S+ 0 0 108 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.866 100.5 54.4 -52.2 -40.1 17.0 -15.2 -6.7 149 239 A K H 3> S+ 0 0 98 -58,-0.2 4,-1.4 1,-0.2 -57,-0.1 0.866 109.8 49.0 -63.9 -35.8 13.7 -14.1 -5.3 150 240 A a H <> S+ 0 0 0 -3,-0.8 4,-1.8 -6,-0.3 -1,-0.2 0.916 109.7 49.7 -69.4 -43.3 15.2 -10.6 -4.6 151 241 A S H < S+ 0 0 73 -4,-2.1 4,-0.4 -6,-0.3 -2,-0.2 0.906 114.0 48.2 -59.0 -38.3 16.7 -10.3 -8.0 152 242 A G H < S+ 0 0 57 -4,-2.3 4,-0.2 -5,-0.3 -1,-0.2 0.774 116.5 41.6 -71.0 -29.0 13.3 -11.2 -9.4 153 243 A A H X S+ 0 0 0 -4,-1.4 4,-3.0 -3,-0.2 3,-0.4 0.620 89.3 91.1 -92.8 -15.9 11.4 -8.7 -7.1 154 244 A A H X S+ 0 0 11 -4,-1.8 4,-2.3 1,-0.3 5,-0.2 0.849 86.0 46.2 -56.5 -48.4 13.7 -5.7 -7.4 155 245 A S H > S+ 0 0 96 -4,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.907 115.9 48.2 -64.7 -35.6 12.2 -3.9 -10.4 156 246 A T H > S+ 0 0 21 -3,-0.4 4,-2.8 -4,-0.2 5,-0.3 0.910 108.8 52.7 -69.4 -43.5 8.7 -4.4 -8.9 157 247 A Y H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.930 112.6 46.2 -56.7 -43.5 9.8 -3.2 -5.5 158 248 A R H X S+ 0 0 107 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.956 114.9 45.1 -65.0 -49.3 11.2 -0.1 -7.1 159 249 A E H X S+ 0 0 94 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.901 115.5 46.1 -63.4 -42.0 8.2 0.6 -9.3 160 250 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.802 110.5 54.0 -74.8 -29.9 5.6 0.0 -6.5 161 251 A T H X S+ 0 0 1 -4,-1.9 4,-2.7 -5,-0.3 5,-0.2 0.954 109.4 47.9 -64.8 -48.1 7.6 2.1 -4.1 162 252 A I H X S+ 0 0 19 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.918 111.0 52.8 -56.2 -44.4 7.5 5.0 -6.6 163 253 A Y H X S+ 0 0 49 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.926 110.6 46.1 -55.0 -50.9 3.8 4.4 -7.0 164 254 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.877 110.1 53.3 -60.2 -44.8 3.2 4.6 -3.3 165 255 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.872 114.9 40.9 -61.3 -38.6 5.3 7.7 -2.9 166 256 A K H >< S+ 0 0 113 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.868 118.0 45.9 -76.3 -41.1 3.4 9.5 -5.6 167 257 A Q H 3< S+ 0 0 61 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.852 115.6 44.5 -71.4 -35.4 -0.0 8.3 -4.5 168 258 A L T 3< S+ 0 0 0 -4,-2.5 2,-1.7 -5,-0.2 -1,-0.2 0.357 78.8 117.4 -95.6 10.8 0.4 8.9 -0.8 169 259 A D < + 0 0 54 -3,-0.6 40,-0.1 -4,-0.2 -1,-0.1 -0.580 42.3 151.8 -76.4 83.7 1.9 12.4 -1.4 170 260 A L > - 0 0 7 -2,-1.7 3,-1.9 1,-0.0 -2,-0.0 -0.865 57.1-113.5-120.2 149.2 -0.9 14.2 0.4 171 261 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.757 114.8 46.1 -57.0 -29.7 -0.6 17.6 2.2 172 262 A H T 3 S+ 0 0 28 -45,-0.1 -43,-2.3 -51,-0.1 2,-0.3 0.323 100.9 88.8 -97.0 7.9 -1.2 16.1 5.7 173 263 A V E < -d 129 0B 4 -3,-1.9 2,-0.4 -45,-0.2 -43,-0.2 -0.776 50.6-167.8-110.3 147.1 1.1 13.2 5.3 174 264 A A E -d 130 0B 8 -45,-2.1 -43,-3.1 -2,-0.3 2,-0.4 -0.998 14.7-161.2-125.9 132.1 4.8 12.6 6.0 175 265 A M E -de 131 211B 0 35,-3.1 37,-2.4 -2,-0.4 38,-1.4 -0.923 11.3-172.4-116.4 139.5 6.5 9.5 4.6 176 266 A Y E -de 132 213B 0 -45,-2.4 -43,-2.4 -2,-0.4 38,-0.3 -0.993 20.5-140.1-123.4 118.5 9.7 7.8 5.6 177 267 A M E -de 133 214B 4 36,-2.3 38,-2.5 -2,-0.4 -43,-0.2 -0.607 30.2-103.7 -75.2 138.5 11.0 4.9 3.5 178 268 A D E + e 0 215B 7 -45,-2.4 38,-0.2 -2,-0.3 -40,-0.1 -0.363 37.9 179.7 -58.3 138.4 12.4 2.0 5.4 179 269 A A - 0 0 0 36,-2.8 6,-0.3 1,-0.4 5,-0.1 -0.189 34.8-121.7-136.9 46.4 16.2 2.0 5.2 180 270 A G - 0 0 3 36,-0.1 37,-2.3 4,-0.1 38,-0.5 -0.268 40.2 -81.2 59.0-140.3 17.3 -1.1 7.2 181 271 A H >>> - 0 0 13 35,-0.2 3,-2.2 36,-0.2 4,-1.8 -0.922 44.0 -80.0-158.1 172.6 19.6 -0.6 10.1 182 272 A A T 345S+ 0 0 0 1,-0.3 4,-0.3 -2,-0.3 5,-0.2 0.826 126.3 52.5 -55.3 -32.4 23.3 -0.1 10.9 183 273 A G T 345S+ 0 0 15 3,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.423 118.8 36.0 -85.9 1.4 24.0 -3.8 10.7 184 274 A W T <45S+ 0 0 44 -3,-2.2 3,-0.2 -5,-0.1 -2,-0.2 0.712 137.9 7.1-110.5 -70.4 22.4 -4.0 7.2 185 275 A L T <5S+ 0 0 0 -4,-1.8 -3,-0.2 -6,-0.3 9,-0.2 0.540 114.4 77.5 -95.5 -8.2 23.1 -0.8 5.3 186 276 A G < + 0 0 0 -5,-1.1 -3,-0.2 -4,-0.3 -1,-0.2 0.653 60.4 110.1 -81.3 -16.0 25.5 0.8 7.7 187 277 A W S >> S- 0 0 79 -3,-0.2 3,-2.3 -5,-0.2 4,-1.0 -0.371 83.3-117.6 -53.1 133.0 28.5 -1.3 6.8 188 278 A P H >> S+ 0 0 73 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.834 112.7 56.4 -46.7 -40.3 30.9 1.1 5.1 189 279 A A H 34 S+ 0 0 83 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.721 109.4 46.9 -65.1 -23.2 30.7 -0.9 1.8 190 280 A N H <> S+ 0 0 38 -3,-2.3 4,-2.2 1,-0.1 -1,-0.2 0.630 91.2 79.5 -94.9 -13.2 26.9 -0.6 1.7 191 281 A I H S+ 0 0 48 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.905 113.5 50.7 -60.6 -34.7 25.1 1.9 -2.9 194 284 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.924 110.4 48.6 -65.7 -43.1 22.3 2.5 -0.5 195 285 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.922 111.2 49.9 -62.6 -42.2 22.6 6.3 -1.0 196 286 A E H X S+ 0 0 89 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.941 113.4 47.2 -61.4 -45.7 22.5 5.9 -4.8 197 287 A L H X S+ 0 0 42 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.963 116.7 39.6 -61.7 -55.6 19.5 3.6 -4.6 198 288 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.890 115.4 51.0 -68.7 -36.4 17.3 5.8 -2.3 199 289 A A H X S+ 0 0 4 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.890 110.7 50.4 -69.3 -34.1 18.3 9.1 -3.8 200 290 A K H X S+ 0 0 117 -4,-2.0 4,-3.0 -5,-0.3 -2,-0.2 0.901 109.0 50.2 -72.8 -36.5 17.5 7.8 -7.2 201 291 A I H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 6,-0.2 0.925 110.2 51.2 -62.2 -44.0 14.1 6.6 -6.1 202 292 A Y H <>S+ 0 0 32 -4,-2.2 5,-2.6 2,-0.2 -2,-0.2 0.952 113.8 44.5 -57.2 -47.6 13.4 10.0 -4.6 203 293 A E H ><5S+ 0 0 94 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.927 112.2 50.6 -62.3 -45.4 14.3 11.7 -7.8 204 294 A D H 3<5S+ 0 0 61 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.787 105.8 57.0 -71.3 -22.5 12.4 9.3 -10.0 205 295 A A T 3<5S- 0 0 2 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.439 122.5-107.5 -80.4 -1.6 9.3 9.8 -7.8 206 296 A G T < 5 - 0 0 52 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.690 54.2 -80.9 82.4 19.6 9.6 13.6 -8.6 207 297 A K < - 0 0 93 -5,-2.6 -1,-0.2 -6,-0.2 -4,-0.1 0.956 61.7-145.9 50.5 63.1 10.8 14.5 -5.1 208 298 A P > - 0 0 6 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.251 11.3-126.5 -65.0 140.1 7.3 14.4 -3.6 209 299 A R T 3 S+ 0 0 150 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.870 106.5 57.3 -49.7 -42.8 6.7 17.0 -0.9 210 300 A A T 3 S+ 0 0 1 -45,-0.2 -35,-3.1 -36,-0.1 2,-1.0 0.634 79.9 98.0 -70.0 -16.4 5.5 14.3 1.6 211 301 A V E < +e 175 0B 7 -3,-1.7 -35,-0.2 -37,-0.2 3,-0.1 -0.660 45.0 168.0 -78.4 103.0 8.6 12.3 1.4 212 302 A R E - 0 0 69 -37,-2.4 48,-2.3 -2,-1.0 2,-0.3 0.765 49.2 -83.9 -87.4 -30.9 10.5 13.4 4.5 213 303 A G E -ef 176 260B 0 -38,-1.4 -36,-2.3 46,-0.3 2,-0.3 -0.912 58.8 -35.6 164.5-136.6 13.2 10.8 4.6 214 304 A L E -ef 177 261B 0 46,-2.0 48,-1.8 -38,-0.3 2,-0.4 -0.906 33.1-139.5-134.4 151.9 14.0 7.4 5.9 215 305 A A E -ef 178 262B 1 -38,-2.5 -36,-2.8 -2,-0.3 2,-0.3 -0.937 23.9-168.2-114.9 133.0 13.2 5.1 8.8 216 306 A T E + f 0 263B 0 46,-2.5 48,-2.5 -2,-0.4 -35,-0.2 -0.864 58.7 20.2-125.1 157.7 15.8 2.9 10.4 217 307 A N S > S+ 0 0 0 -37,-2.3 3,-2.5 -2,-0.3 -36,-0.2 0.643 72.7 178.8 67.0 20.4 15.9 0.1 12.9 218 308 A V T 3 S- 0 0 10 -38,-0.5 -1,-0.2 1,-0.3 3,-0.1 -0.325 72.8 -10.0 -60.5 120.9 12.3 -0.8 12.3 219 309 A A T 3 S+ 0 0 22 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.685 118.1 107.9 62.1 22.0 11.4 -3.8 14.4 220 310 A N S < S- 0 0 25 -3,-2.5 47,-0.4 -40,-0.1 -1,-0.2 -0.503 70.4-126.4-119.9-172.2 15.0 -4.3 15.2 221 311 A Y + 0 0 0 -2,-0.2 67,-0.1 -3,-0.1 -3,-0.1 0.259 49.9 139.1-126.5 9.6 17.0 -3.7 18.4 222 312 A N - 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