==== 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 19-SEP-98 1BVW . COMPND 2 MOLECULE: PROTEIN (CELLOBIOHYDROLASE II); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA INSOLENS; . AUTHOR A.VARROT,G.J.DAVIES,M.SCHULEIN . 360 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 64.4 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 . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 26.9 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 2 1 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 98 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 13.4 9.0 20.9 8.6 2 92 A N > - 0 0 24 1,-0.2 3,-2.0 2,-0.1 293,-0.0 -0.540 360.0-151.1 -67.6 117.1 9.4 18.0 11.0 3 93 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.2 0, 0.0 292,-0.0 0.676 93.8 58.1 -63.0 -19.6 6.1 16.1 11.0 4 94 A F T > S+ 0 0 7 291,-0.1 3,-0.8 299,-0.1 2,-0.3 0.580 88.1 95.5 -83.3 -13.8 6.6 15.0 14.6 5 95 A E T < S+ 0 0 132 -3,-2.0 3,-0.1 1,-0.2 299,-0.0 -0.658 87.6 15.2 -82.7 134.3 6.8 18.6 15.8 6 96 A G T 3 S+ 0 0 56 -2,-0.3 70,-0.4 1,-0.2 2,-0.3 0.608 110.6 84.5 86.4 10.1 3.7 20.3 17.1 7 97 A V S < S- 0 0 17 -3,-0.8 2,-0.3 68,-0.2 -1,-0.2 -0.973 71.1-125.8-139.3 158.2 1.6 17.1 17.6 8 98 A Q E -a 77 0A 68 68,-2.4 70,-2.3 -2,-0.3 2,-0.5 -0.740 32.7-119.3 -94.7 147.7 1.1 14.4 20.1 9 99 A L E -a 78 0A 27 -2,-0.3 2,-0.3 68,-0.2 70,-0.2 -0.848 29.6-116.8 -92.0 127.9 1.6 10.8 18.9 10 100 A W - 0 0 33 68,-2.3 2,-0.8 -2,-0.5 70,-0.2 -0.421 17.5-151.8 -66.2 123.7 -1.6 8.7 19.3 11 101 A A - 0 0 10 -2,-0.3 34,-0.1 32,-0.2 -1,-0.1 -0.880 29.9-132.0 -94.9 108.9 -1.2 5.7 21.6 12 102 A N > - 0 0 7 -2,-0.8 4,-2.0 32,-0.4 5,-0.1 -0.190 7.3-126.5 -71.9 159.2 -3.7 3.2 20.2 13 103 A N H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.728 103.0 62.3 -74.8 -22.9 -6.3 1.2 22.0 14 104 A Y H > S+ 0 0 128 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.973 110.3 38.6 -69.1 -51.2 -5.2 -2.2 20.6 15 105 A Y H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.937 115.3 54.8 -64.7 -42.5 -1.8 -2.0 22.3 16 106 A R H X S+ 0 0 53 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.938 110.0 46.7 -53.0 -50.7 -3.3 -0.4 25.4 17 107 A S H X>S+ 0 0 63 -4,-2.3 4,-3.1 2,-0.2 5,-0.6 0.870 107.2 56.6 -60.3 -40.1 -5.8 -3.4 25.7 18 108 A E H X>S+ 0 0 7 -4,-2.3 4,-2.1 3,-0.2 5,-1.5 0.952 112.5 42.2 -59.2 -47.4 -3.0 -6.0 25.2 19 109 A V H <>S+ 0 0 0 -4,-2.3 5,-2.8 3,-0.2 4,-0.3 0.964 119.9 41.9 -65.6 -51.5 -1.1 -4.5 28.2 20 110 A H H <5S+ 0 0 79 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.909 127.6 28.9 -63.0 -42.6 -4.2 -4.0 30.4 21 111 A T H <5S+ 0 0 92 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.810 132.4 27.8 -91.4 -34.1 -5.9 -7.3 29.6 22 112 A L T < - 0 0 76 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.368 67.0-150.2 -57.6 124.2 5.5 -7.1 41.2 30 120 A P H > S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.865 98.9 52.9 -60.6 -38.0 3.7 -3.8 42.1 31 121 A A H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.921 108.9 48.4 -65.6 -43.9 6.6 -1.9 40.5 32 122 A L H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.848 110.3 53.3 -64.1 -35.3 6.3 -3.9 37.3 33 123 A R H X S+ 0 0 103 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.928 108.6 47.2 -65.1 -47.7 2.6 -3.3 37.3 34 124 A A H X S+ 0 0 66 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.867 113.9 49.0 -60.3 -37.2 2.9 0.5 37.6 35 125 A A H X S+ 0 0 8 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.914 107.8 54.4 -71.6 -35.6 5.5 0.5 34.8 36 126 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.3 -2,-0.2 0.900 105.1 53.7 -64.0 -40.1 3.3 -1.7 32.6 37 127 A S H < S+ 0 0 49 -4,-2.2 4,-0.4 1,-0.2 -1,-0.3 0.871 110.3 47.8 -59.7 -40.5 0.5 0.9 33.0 38 128 A A H >< S+ 0 0 45 -4,-1.3 3,-1.4 -3,-0.2 -2,-0.2 0.907 108.3 52.6 -68.3 -42.3 2.9 3.6 31.8 39 129 A V H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.814 97.6 68.8 -61.3 -31.1 4.2 1.5 28.8 40 130 A A T 3< S+ 0 0 2 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.743 100.0 48.9 -59.8 -26.8 0.5 1.1 27.7 41 131 A E T < S+ 0 0 93 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.385 81.1 111.4 -94.5 -0.9 0.4 4.8 26.9 42 132 A V S < S- 0 0 13 -3,-1.7 2,-0.7 -4,-0.2 -30,-0.1 -0.667 73.5-123.2 -80.2 124.5 3.6 5.0 24.8 43 133 A P + 0 0 22 0, 0.0 264,-0.4 0, 0.0 2,-0.3 -0.645 38.2 174.3 -76.3 110.5 2.5 5.6 21.2 44 134 A S - 0 0 4 -2,-0.7 -32,-0.4 262,-0.1 36,-0.2 -0.738 35.2 -92.8-111.6 162.0 3.8 2.9 18.8 45 135 A F - 0 0 0 262,-2.5 2,-0.3 -2,-0.3 36,-0.2 -0.343 31.3-139.7 -66.6 158.4 3.2 2.4 15.1 46 136 A Q E -b 81 0B 20 34,-1.8 36,-2.2 263,-0.1 2,-0.5 -0.872 21.2-128.6-116.5 143.2 0.3 0.1 13.9 47 137 A W E -b 82 0B 37 -2,-0.3 2,-1.4 34,-0.2 3,-0.2 -0.886 18.0-160.1-106.7 133.5 0.9 -2.1 10.9 48 138 A L E +b 83 0B 0 34,-3.1 36,-1.6 -2,-0.5 6,-0.0 -0.548 44.5 143.1 -97.0 72.0 -1.0 -2.7 7.7 49 139 A D + 0 0 43 -2,-1.4 2,-0.3 34,-0.1 50,-0.2 0.457 62.9 40.7 -94.6 -0.1 0.7 -6.0 7.2 50 140 A R S > S- 0 0 112 -3,-0.2 3,-1.7 48,-0.1 4,-0.3 -0.983 85.2-120.1-143.6 145.0 -2.3 -7.7 5.8 51 141 A N G >> S+ 0 0 73 -2,-0.3 3,-1.6 1,-0.3 4,-0.5 0.828 108.7 67.0 -53.9 -36.4 -4.9 -6.4 3.3 52 142 A V G 34 S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.748 88.4 67.0 -62.1 -21.9 -7.7 -6.8 5.8 53 143 A T G <4>S+ 0 0 4 -3,-1.7 5,-2.6 1,-0.2 3,-0.5 0.714 85.6 72.3 -70.2 -21.9 -6.2 -4.1 8.1 54 144 A V T <4>S+ 0 0 2 -3,-1.6 5,-0.7 -4,-0.3 -1,-0.2 0.954 105.7 32.1 -63.4 -50.3 -7.0 -1.3 5.5 55 145 A D T <5S+ 0 0 98 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.1 0.359 133.6 33.1 -89.9 8.5 -10.8 -1.2 5.9 56 146 A T T >5S+ 0 0 73 -3,-0.5 4,-2.9 -4,-0.2 5,-0.2 0.471 124.4 22.7-121.2 -91.6 -10.5 -2.1 9.6 57 147 A L H >5S+ 0 0 38 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.859 123.9 51.3 -48.3 -49.7 -7.5 -1.0 11.7 58 148 A L H >S+ 0 0 23 -4,-2.2 5,-1.7 1,-0.2 -2,-0.2 0.937 114.9 46.5 -65.2 -42.1 -10.0 12.9 20.2 69 159 A N H ><5S+ 0 0 28 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.907 110.5 51.2 -66.3 -41.1 -8.9 15.9 18.2 70 160 A Q H 3<5S+ 0 0 146 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.809 104.8 59.4 -68.8 -24.8 -12.4 17.3 17.8 71 161 A A T 3<5S- 0 0 91 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.462 131.9 -88.1 -80.2 -2.5 -12.8 16.9 21.5 72 162 A G T < 5 + 0 0 52 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.2 0.612 57.4 175.1 110.6 13.6 -9.9 19.3 22.1 73 163 A A < - 0 0 28 -5,-1.7 -1,-0.2 1,-0.0 3,-0.1 -0.250 28.7-133.3 -50.1 139.5 -6.7 17.3 22.2 74 164 A N S S+ 0 0 144 1,-0.2 2,-0.2 2,-0.1 -67,-0.1 -0.879 92.6 22.9-149.2 116.3 -3.8 19.9 22.5 75 165 A P S S- 0 0 52 0, 0.0 -1,-0.2 0, 0.0 -68,-0.2 0.596 112.5-110.7 -67.2 168.4 -1.6 19.5 20.7 76 166 A Q - 0 0 73 -70,-0.4 -68,-2.4 -2,-0.2 2,-0.3 -0.284 32.9-109.2 -64.6 156.2 -3.6 17.5 18.2 77 167 A Y E -a 8 0A 59 -12,-0.2 51,-0.4 -70,-0.2 2,-0.3 -0.651 27.1-156.8 -88.5 148.4 -2.8 13.8 17.7 78 168 A A E -a 9 0A 0 -70,-2.3 -68,-2.3 -2,-0.3 2,-0.3 -0.839 15.6-121.4-123.3 152.0 -1.1 12.3 14.7 79 169 A A E - c 0 129B 1 49,-2.5 51,-3.1 -2,-0.3 2,-0.5 -0.683 12.7-156.4 -94.9 148.5 -1.2 8.7 13.4 80 170 A Q E + c 0 130B 7 -2,-0.3 -34,-1.8 -36,-0.2 2,-0.4 -0.992 24.0 169.5-126.7 114.2 1.8 6.4 12.9 81 171 A I E -bc 46 131B 0 49,-2.7 51,-2.2 -2,-0.5 2,-0.5 -0.983 26.0-145.0-133.2 142.6 1.2 3.6 10.4 82 172 A V E -bc 47 132B 0 -36,-2.2 -34,-3.1 -2,-0.4 2,-0.6 -0.918 9.1-149.5-107.4 128.6 3.4 1.0 8.6 83 173 A V E +bc 48 133B 0 49,-2.9 51,-2.8 -2,-0.5 -34,-0.1 -0.910 33.4 156.7 -93.0 113.3 2.7 0.0 5.0 84 174 A Y + 0 0 34 -36,-1.6 49,-0.1 -2,-0.6 -2,-0.0 -0.494 28.4 96.4-145.3 74.3 3.9 -3.6 4.7 85 175 A D + 0 0 0 -2,-0.1 -1,-0.1 13,-0.1 4,-0.1 0.112 36.2 155.3-147.2 29.1 2.3 -5.8 2.0 86 176 A L > - 0 0 1 -3,-0.1 3,-0.6 1,-0.1 14,-0.3 -0.312 51.3-105.1 -57.4 147.2 4.6 -6.0 -1.1 87 177 A P T 3 S+ 0 0 0 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.376 109.0 23.0 -69.3 147.1 4.1 -9.1 -3.2 88 178 A D T 3 S- 0 0 30 12,-2.5 3,-0.4 1,-0.1 13,-0.1 0.921 100.4-166.2 55.9 45.2 6.9 -11.7 -2.8 89 179 A R < + 0 0 12 -3,-0.6 9,-0.2 11,-0.6 -1,-0.1 -0.190 57.7 16.3 -66.0 154.6 7.5 -9.9 0.5 90 180 A D S > S- 0 0 10 46,-0.5 3,-2.0 45,-0.3 -1,-0.2 0.924 76.5-171.4 48.7 57.0 10.7 -10.4 2.5 91 181 A a T 3 S+ 0 0 5 -3,-0.4 59,-0.3 45,-0.3 58,-0.2 0.723 76.5 41.1 -53.4 -36.8 12.5 -11.9 -0.5 92 182 A A T 3 S+ 0 0 34 44,-0.2 -1,-0.3 57,-0.1 2,-0.1 0.410 90.8 110.8 -95.5 1.3 15.6 -13.1 1.4 93 183 A A S < S- 0 0 39 -3,-2.0 3,-0.1 1,-0.1 233,-0.0 -0.429 71.6-129.9 -75.9 157.0 13.9 -14.4 4.5 94 184 A A S S+ 0 0 65 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.856 97.1 12.0 -70.3 -34.1 13.7 -18.1 5.4 95 185 A A S S- 0 0 26 229,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.960 71.0-164.2-139.1 153.7 10.0 -17.6 6.0 96 186 A S - 0 0 45 -2,-0.3 -6,-0.0 2,-0.1 -8,-0.0 -0.994 20.0-158.0-141.5 142.1 7.5 -14.8 5.1 97 187 A N + 0 0 52 -2,-0.3 -7,-0.1 227,-0.0 2,-0.1 0.313 53.8 128.9 -97.6 10.5 4.0 -13.9 6.3 98 188 A G - 0 0 23 -9,-0.2 -2,-0.1 1,-0.1 -48,-0.1 -0.385 49.4-152.4 -62.1 145.4 3.3 -11.8 3.2 99 189 A E + 0 0 83 -50,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.554 65.6 67.5 -96.1 -15.5 0.0 -12.9 1.5 100 190 A W - 0 0 40 -14,-0.3 -12,-2.5 -15,-0.1 -11,-0.6 -0.854 57.8-158.6-114.0 152.9 0.7 -11.9 -2.1 101 191 A A > > - 0 0 37 3,-0.4 5,-1.9 -2,-0.3 3,-1.5 -0.973 23.9-132.6-127.3 141.7 3.0 -13.2 -4.8 102 192 A I G > 5S+ 0 0 45 -2,-0.4 3,-0.6 1,-0.3 5,-0.4 0.907 109.5 54.0 -56.2 -40.2 4.2 -11.5 -8.0 103 193 A A G 3 5S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.647 107.9 52.7 -75.5 -6.5 3.3 -14.7 -10.1 104 194 A N G < 5S- 0 0 125 -3,-1.5 -3,-0.4 0, 0.0 -1,-0.3 -0.460 134.0 -72.7-126.1 57.5 -0.3 -14.6 -8.7 105 195 A N T <>5S+ 0 0 88 -3,-0.6 4,-2.7 -2,-0.1 5,-0.2 0.640 82.4 146.1 65.9 24.2 -1.5 -11.1 -9.4 106 196 A G H >< + 0 0 0 -5,-1.9 4,-2.5 1,-0.2 -4,-0.2 0.830 66.9 52.2 -61.6 -37.0 0.6 -9.5 -6.7 107 197 A V H > S+ 0 0 31 -5,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.953 113.0 42.8 -66.2 -50.1 1.2 -6.2 -8.5 108 198 A N H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.911 114.7 52.4 -62.2 -39.2 -2.4 -5.6 -9.2 109 199 A N H X S+ 0 0 50 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.921 112.6 44.5 -61.1 -45.0 -3.3 -6.6 -5.7 110 200 A Y H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.895 110.4 53.6 -68.7 -41.0 -0.7 -4.2 -4.2 111 201 A K H X S+ 0 0 53 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.916 109.9 48.1 -59.7 -39.7 -1.7 -1.3 -6.4 112 202 A A H X S+ 0 0 58 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.872 110.4 52.1 -67.3 -38.0 -5.3 -1.7 -5.3 113 203 A Y H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.950 111.3 46.2 -61.1 -48.7 -4.3 -1.8 -1.7 114 204 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.930 112.3 52.7 -60.0 -42.1 -2.2 1.4 -2.1 115 205 A N H X S+ 0 0 54 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.893 110.0 46.4 -62.6 -41.6 -5.2 3.0 -3.9 116 206 A R H X S+ 0 0 90 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.920 111.9 51.3 -69.7 -42.6 -7.7 2.1 -1.1 117 207 A I H X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.943 109.3 51.6 -56.1 -44.9 -5.2 3.4 1.5 118 208 A R H X S+ 0 0 76 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.935 108.2 51.7 -57.7 -45.5 -5.0 6.6 -0.5 119 209 A E H X S+ 0 0 113 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.865 112.2 45.7 -58.2 -44.5 -8.8 6.9 -0.6 120 210 A I H X S+ 0 0 3 -4,-2.1 4,-1.0 2,-0.2 3,-0.3 0.941 111.9 50.8 -67.3 -43.8 -8.9 6.5 3.2 121 211 A L H >< S+ 0 0 0 -4,-3.2 3,-1.0 1,-0.2 6,-0.2 0.914 108.6 52.4 -61.0 -44.0 -6.1 9.0 3.9 122 212 A I H >< S+ 0 0 83 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.877 107.6 52.5 -55.7 -38.9 -7.8 11.6 1.6 123 213 A S H 3< S+ 0 0 65 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.684 113.0 45.1 -73.8 -15.5 -11.0 11.1 3.7 124 214 A F T X< + 0 0 13 -4,-1.0 3,-2.0 -3,-1.0 -1,-0.3 -0.297 67.9 138.7-119.1 44.0 -9.0 11.8 6.9 125 215 A S T < + 0 0 78 -3,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.596 67.0 66.8 -65.2 -8.8 -7.0 14.8 5.6 126 216 A D T 3 S+ 0 0 65 -3,-0.1 2,-0.5 1,-0.1 -1,-0.3 0.320 88.6 77.4 -89.7 3.2 -7.6 16.4 9.1 127 217 A V S < S- 0 0 0 -3,-2.0 -49,-0.1 -6,-0.2 -1,-0.1 -0.939 83.0-132.9-118.7 111.2 -5.4 13.7 10.7 128 218 A R - 0 0 71 -2,-0.5 -49,-2.5 -51,-0.4 2,-0.5 -0.425 30.4-161.5 -61.2 129.8 -1.6 14.2 10.3 129 219 A T E -cd 79 173B 0 43,-2.4 45,-2.0 -51,-0.2 2,-0.5 -0.968 13.7-163.9-126.6 121.1 -0.4 10.8 9.2 130 220 A I E -cd 80 174B 0 -51,-3.1 -49,-2.7 -2,-0.5 2,-0.4 -0.904 15.4-165.4-103.6 128.5 3.2 9.5 9.4 131 221 A L E -cd 81 175B 1 43,-2.9 45,-2.7 -2,-0.5 2,-0.6 -0.924 20.1-154.6-120.3 142.4 4.0 6.4 7.4 132 222 A V E -cd 82 176B 0 -51,-2.2 -49,-2.9 -2,-0.4 2,-0.7 -0.950 27.9-139.3-105.6 123.9 6.9 3.9 7.3 133 223 A I E -cd 83 177B 2 43,-2.7 45,-2.2 -2,-0.6 4,-0.2 -0.811 55.8 -38.7 -95.3 117.6 7.0 2.4 3.8 134 224 A E > - 0 0 1 -51,-2.8 3,-0.7 -2,-0.7 4,-0.3 0.879 60.1-142.4 40.8 79.6 7.7 -1.3 3.6 135 225 A P T 3 S+ 0 0 10 0, 0.0 -45,-0.3 0, 0.0 -1,-0.1 -0.147 84.2 21.2 -55.6 149.8 10.3 -2.7 6.1 136 226 A D T 3 S+ 0 0 42 1,-0.1 -46,-0.5 -47,-0.1 -45,-0.3 0.882 102.7 98.8 55.5 45.6 12.6 -5.4 4.7 137 227 A S S X S+ 0 0 7 -3,-0.7 3,-1.8 -4,-0.2 4,-0.4 0.547 83.3 19.3-121.9 -90.0 12.1 -4.4 1.1 138 228 A L T >> S+ 0 0 2 -4,-0.3 3,-1.3 1,-0.3 4,-0.6 0.745 112.2 71.2 -62.5 -21.1 14.6 -2.2 -0.8 139 229 A A H >> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 3,-0.8 0.820 92.4 61.4 -60.4 -31.4 17.4 -2.9 1.8 140 230 A N H <> S+ 0 0 1 -3,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.793 94.5 61.2 -62.2 -31.5 17.4 -6.4 0.2 141 231 A M H <4 S+ 0 0 27 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.709 102.3 52.5 -68.3 -25.2 18.3 -4.8 -3.2 142 232 A V H << S+ 0 0 29 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.938 133.0 1.7 -74.7 -49.8 21.6 -3.5 -1.7 143 233 A T H < S+ 0 0 39 -4,-1.4 3,-0.3 1,-0.1 -2,-0.2 0.640 122.6 58.3-116.8 -17.0 22.9 -6.8 -0.2 144 234 A N >< + 0 0 40 -4,-2.6 3,-1.7 -5,-0.3 6,-0.3 0.133 60.6 112.0-110.0 24.5 20.6 -9.7 -1.0 145 235 A M T 3 + 0 0 78 1,-0.3 6,-0.3 5,-0.2 -1,-0.2 0.695 68.0 73.0 -69.3 -12.1 20.4 -9.8 -4.8 146 236 A N T 3 S+ 0 0 129 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.710 79.7 87.0 -68.8 -20.9 22.4 -13.1 -4.8 147 237 A V S X> S- 0 0 44 -3,-1.7 4,-2.1 1,-0.2 3,-0.8 -0.746 82.7-139.0 -82.1 120.7 19.2 -14.7 -3.4 148 238 A P H 3> S+ 0 0 102 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.832 99.7 53.5 -53.8 -40.0 17.1 -15.6 -6.5 149 239 A K H 3> S+ 0 0 103 -58,-0.2 4,-1.4 1,-0.2 -57,-0.1 0.904 110.6 49.6 -63.9 -33.2 13.7 -14.5 -5.1 150 240 A a H <> S+ 0 0 0 -3,-0.8 4,-1.8 -6,-0.3 3,-0.2 0.927 110.7 46.7 -71.7 -42.7 15.3 -11.1 -4.4 151 241 A S H < S+ 0 0 63 -4,-2.1 4,-0.4 -6,-0.3 -1,-0.2 0.889 114.6 49.8 -68.0 -31.2 16.8 -10.6 -7.8 152 242 A G H < S+ 0 0 53 -4,-2.4 4,-0.3 -5,-0.3 -1,-0.2 0.755 115.8 42.4 -73.3 -26.2 13.4 -11.7 -9.3 153 243 A A H X S+ 0 0 0 -4,-1.4 4,-3.0 -3,-0.2 3,-0.3 0.664 88.8 92.4 -93.8 -17.7 11.5 -9.3 -7.1 154 244 A A H X S+ 0 0 14 -4,-1.8 4,-2.3 1,-0.2 5,-0.1 0.825 86.1 44.8 -47.4 -55.6 13.8 -6.2 -7.4 155 245 A S H > S+ 0 0 89 -4,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.900 115.7 49.3 -61.9 -38.0 12.2 -4.5 -10.4 156 246 A T H > S+ 0 0 14 -3,-0.3 4,-2.9 -4,-0.3 5,-0.3 0.933 110.1 49.9 -66.1 -43.8 8.7 -5.0 -8.8 157 247 A Y H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.901 113.7 47.3 -58.9 -42.4 9.8 -3.7 -5.4 158 248 A R H X S+ 0 0 108 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.956 115.3 43.9 -63.1 -53.0 11.3 -0.6 -7.2 159 249 A E H X S+ 0 0 76 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.870 116.5 45.8 -59.7 -43.7 8.2 0.0 -9.3 160 250 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.859 110.1 53.6 -73.3 -31.0 5.7 -0.6 -6.5 161 251 A T H X S+ 0 0 1 -4,-2.1 4,-3.2 -5,-0.3 5,-0.2 0.956 110.9 47.3 -66.2 -46.1 7.7 1.6 -4.0 162 252 A I H X S+ 0 0 21 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.956 111.3 51.7 -58.8 -46.5 7.6 4.4 -6.6 163 253 A Y H X S+ 0 0 57 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.935 112.4 45.5 -53.1 -49.8 3.8 3.8 -7.1 164 254 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.918 109.7 54.2 -63.7 -44.4 3.3 4.0 -3.3 165 255 A L H < S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.868 115.8 39.1 -59.7 -41.3 5.4 7.2 -2.9 166 256 A K H >< S+ 0 0 112 -4,-2.3 3,-1.0 -5,-0.2 -2,-0.2 0.895 116.6 48.5 -76.0 -40.6 3.4 9.0 -5.5 167 257 A Q H 3< S+ 0 0 52 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.811 115.9 44.0 -70.1 -26.4 -0.1 7.7 -4.6 168 258 A L T 3< S+ 0 0 0 -4,-2.3 2,-1.8 -5,-0.2 -1,-0.2 0.301 79.3 116.6-101.9 14.7 0.5 8.5 -0.9 169 259 A D < + 0 0 55 -3,-1.0 40,-0.1 -5,-0.1 -1,-0.1 -0.578 43.2 150.7 -81.9 82.2 2.0 11.9 -1.6 170 260 A L > - 0 0 9 -2,-1.8 3,-2.2 38,-0.1 -2,-0.0 -0.900 58.2-112.5-119.4 148.6 -0.8 13.8 0.2 171 261 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.741 115.3 44.6 -52.0 -33.1 -0.5 17.2 2.0 172 262 A H T 3 S+ 0 0 27 -45,-0.1 -43,-2.4 -44,-0.1 2,-0.3 0.297 100.6 89.1 -96.7 10.1 -1.2 15.8 5.5 173 263 A V E < -d 129 0B 4 -3,-2.2 2,-0.4 -45,-0.2 -43,-0.2 -0.808 51.1-167.5-110.1 150.4 1.2 12.8 5.1 174 264 A A E -d 130 0B 7 -45,-2.0 -43,-2.9 -2,-0.3 2,-0.4 -0.999 15.2-159.2-129.4 130.0 4.9 12.3 5.8 175 265 A M E -de 131 211B 0 35,-3.4 37,-2.3 -2,-0.4 38,-1.5 -0.926 11.8-171.2-116.4 140.9 6.6 9.2 4.5 176 266 A Y E -de 132 213B 0 -45,-2.7 -43,-2.7 -2,-0.4 38,-0.3 -0.994 19.8-140.8-123.2 118.3 9.8 7.5 5.6 177 267 A M E -de 133 214B 3 36,-2.5 38,-2.3 -2,-0.4 -43,-0.1 -0.622 30.6-104.9 -76.3 139.4 11.2 4.6 3.4 178 268 A D E - e 0 215B 8 -45,-2.2 38,-0.2 -2,-0.3 -40,-0.1 -0.415 36.5-178.2 -62.4 141.8 12.6 1.7 5.4 179 269 A A - 0 0 0 36,-2.8 6,-0.2 1,-0.4 5,-0.1 -0.216 33.7-122.9-135.0 45.6 16.4 1.7 5.3 180 270 A G - 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