==== 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 03-SEP-08 3EDE . COMPND 2 MOLECULE: CYCLOMALTODEXTRINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FLAVOBACTERIUM SP. 92; . AUTHOR S.BUEDENBENDER,G.E.SCHULZ . 1194 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 790 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 151 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 93 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.2 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 6 4 4 0 2 2 0 0 2 4 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 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 0 0 PARALLEL BRIDGES PER LADDER . 10 3 8 4 0 0 6 0 2 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 . 5 0 4 2 3 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 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 3 A P 0 0 110 0, 0.0 27,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 158.5 85.6 50.0 9.8 2 4 A T - 0 0 92 25,-0.1 26,-0.9 2,-0.1 3,-0.4 0.088 360.0-107.5 -43.5 149.8 86.2 46.4 8.6 3 5 A A S S+ 0 0 50 1,-0.3 2,-0.6 24,-0.2 27,-0.1 0.936 106.8 0.2 -42.7 -88.6 83.4 44.0 7.7 4 6 A I S S+ 0 0 32 1,-0.1 -1,-0.3 23,-0.1 23,-0.2 -0.959 73.8 175.4-102.9 114.7 83.6 41.7 10.8 5 7 A E + 0 0 91 21,-2.3 2,-0.4 -2,-0.6 22,-0.2 0.834 67.1 16.5 -86.7 -39.3 86.5 43.1 12.8 6 8 A H E -A 26 0A 33 20,-2.0 20,-2.6 2,-0.0 2,-0.4 -0.998 53.3-176.2-137.1 136.5 86.2 40.7 15.8 7 9 A M E -A 25 0A 11 -2,-0.4 18,-0.2 18,-0.2 16,-0.0 -0.974 30.1-137.0-126.8 117.1 84.4 37.4 16.4 8 10 A E E S+A 24 0A 8 16,-2.0 16,-2.8 -2,-0.4 285,-0.1 -0.978 88.6 19.3-136.7 122.9 84.7 36.2 20.0 9 11 A P S S- 0 0 0 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.594 86.3-152.3 -68.0 153.3 85.3 33.4 20.8 10 12 A P S S- 0 0 29 0, 0.0 77,-0.4 0, 0.0 2,-0.3 0.668 74.3 -7.2 -74.4 -19.7 86.6 32.8 17.2 11 13 A F - 0 0 41 75,-0.1 2,-0.2 78,-0.0 77,-0.2 -0.925 69.0-163.4-159.9 170.7 85.8 29.1 17.2 12 14 A W E -e 88 0B 4 75,-2.6 77,-3.0 -2,-0.3 2,-0.3 -0.660 20.2 -96.5-144.4-161.1 84.5 26.6 19.9 13 15 A W E > -e 89 0B 9 75,-0.3 3,-0.5 -2,-0.2 2,-0.2 -0.958 19.6-122.8-132.1 148.4 84.2 22.9 20.5 14 16 A A T 3 S+ 0 0 9 75,-2.5 77,-0.3 -2,-0.3 53,-0.1 -0.616 93.9 29.3 -75.5 146.1 81.7 20.1 20.2 15 17 A G T 3 S+ 0 0 49 48,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.752 75.1 155.7 78.6 25.7 80.9 18.3 23.4 16 18 A M < - 0 0 8 -3,-0.5 -1,-0.2 2,-0.2 313,-0.1 -0.411 51.3-118.6 -74.1 163.6 81.4 21.0 26.1 17 19 A Q S S+ 0 0 119 308,-0.1 2,-0.5 -2,-0.1 -1,-0.1 0.933 102.3 57.1 -68.4 -48.1 79.6 20.6 29.4 18 20 A H S S- 0 0 70 1,-0.1 -2,-0.2 307,-0.1 -1,-0.1 -0.754 72.5-158.8 -89.8 127.3 77.7 23.9 29.1 19 21 A K + 0 0 65 -2,-0.5 43,-2.7 42,-0.1 -1,-0.1 0.828 61.4 91.8 -78.2 -32.6 75.6 23.9 25.9 20 22 A G E - B 0 61A 13 41,-0.2 2,-0.4 39,-0.0 41,-0.2 -0.282 49.0-177.1 -68.6 144.1 75.2 27.7 25.5 21 23 A L E - B 0 60A 4 39,-2.6 39,-3.4 2,-0.0 2,-0.6 -0.964 8.5-162.1-141.5 124.9 77.6 29.8 23.5 22 24 A Q E - B 0 59A 20 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.928 9.2-155.9-109.9 114.8 77.4 33.6 23.2 23 25 A L E - B 0 58A 0 35,-3.1 35,-2.5 -2,-0.6 2,-0.7 -0.717 3.9-153.1 -91.5 132.9 79.3 35.2 20.3 24 26 A M E -AB 8 57A 6 -16,-2.8 -16,-2.0 -2,-0.4 2,-0.4 -0.947 18.2-169.6-102.4 113.7 80.3 38.8 20.6 25 27 A V E -AB 7 56A 0 31,-3.1 31,-2.4 -2,-0.7 2,-0.4 -0.883 3.4-169.3-110.4 134.0 80.5 40.1 17.0 26 28 A H E +AB 6 55A 17 -20,-2.6 -21,-2.3 -2,-0.4 -20,-2.0 -0.992 28.0 113.0-130.2 129.7 82.0 43.5 16.3 27 29 A G S > S- 0 0 0 27,-2.1 3,-2.2 -2,-0.4 4,-0.4 -0.856 72.0 -60.8 177.8 155.8 82.0 45.5 13.0 28 30 A R T 3 S- 0 0 141 -26,-0.9 26,-0.1 1,-0.3 -2,-0.0 -0.295 119.3 -13.6 -53.4 122.3 80.5 48.6 11.5 29 31 A D T > S+ 0 0 35 1,-0.1 3,-2.2 2,-0.0 -1,-0.3 0.534 90.0 137.0 58.1 14.9 76.6 48.4 11.7 30 32 A I G X + 0 0 2 -3,-2.2 3,-1.6 1,-0.3 24,-0.2 0.827 67.1 62.9 -57.4 -31.0 76.8 44.7 12.5 31 33 A G G 3 S+ 0 0 18 22,-2.5 -1,-0.3 -4,-0.4 23,-0.2 0.657 94.0 62.6 -66.3 -18.0 74.1 45.3 15.2 32 34 A R G < S+ 0 0 148 -3,-2.2 -1,-0.3 21,-0.6 46,-0.2 0.395 95.4 83.0 -84.9 1.8 71.8 46.4 12.3 33 35 A M S < S- 0 0 12 -3,-1.6 2,-0.4 -4,-0.2 44,-0.2 -0.535 72.5-132.1-103.3 167.4 72.0 42.9 10.8 34 36 A E E -F 76 0B 128 42,-2.1 42,-2.4 -2,-0.2 2,-0.2 -0.991 22.9-134.2-119.8 131.5 70.2 39.6 11.5 35 37 A A E +F 75 0B 15 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.519 23.2 179.7 -85.8 151.8 72.2 36.3 11.9 36 38 A A E +F 74 0B 54 38,-1.4 38,-2.9 -2,-0.2 2,-0.3 -0.991 4.4 165.3-148.2 146.2 71.3 33.0 10.3 37 39 A L - 0 0 37 -2,-0.3 2,-0.3 36,-0.2 7,-0.2 -0.985 21.6-155.7-157.2 161.2 72.9 29.5 10.3 38 40 A D + 0 0 150 34,-0.5 34,-0.2 -2,-0.3 5,-0.1 -0.816 36.9 130.5-144.7 100.6 72.2 25.8 9.5 39 41 A Y B > -C 42 0A 36 3,-0.5 3,-2.0 -2,-0.3 32,-0.1 -0.952 59.0-105.2-152.3 130.2 74.1 23.1 11.3 40 42 A P T 3 S+ 0 0 103 0, 0.0 27,-0.5 0, 0.0 3,-0.1 -0.314 105.3 15.7 -62.9 132.6 72.7 19.9 12.9 41 43 A G T 3 S+ 0 0 16 1,-0.2 22,-3.2 25,-0.2 2,-0.5 0.173 102.9 102.4 95.3 -16.0 72.7 20.2 16.7 42 44 A V E < -CD 39 62A 14 -3,-2.0 -3,-0.5 20,-0.2 2,-0.5 -0.900 52.0-166.8-105.4 125.9 73.3 24.0 16.8 43 45 A R E - D 0 61A 145 18,-2.3 18,-2.2 -2,-0.5 2,-0.7 -0.963 16.0-141.0-113.0 125.7 70.3 26.2 17.5 44 46 A L E - D 0 60A 53 -2,-0.5 16,-0.2 16,-0.2 -7,-0.1 -0.751 13.0-158.2 -82.9 115.8 70.3 30.0 17.0 45 47 A V - 0 0 51 14,-2.9 -1,-0.1 -2,-0.7 15,-0.1 0.822 37.9-106.3 -72.1 -35.6 68.3 31.5 19.9 46 48 A S - 0 0 69 13,-0.4 -1,-0.1 2,-0.0 -12,-0.0 0.291 44.7 -57.4 110.4 132.5 67.3 34.9 18.4 47 49 A P - 0 0 65 0, 0.0 2,-0.5 0, 0.0 11,-0.1 0.194 28.5-172.3 -51.2 136.4 68.6 38.5 18.9 48 50 A T - 0 0 102 9,-0.5 9,-0.3 2,-0.0 -2,-0.0 -0.961 37.9-139.5-114.7 104.0 68.6 40.4 22.1 49 51 A R - 0 0 195 -2,-0.5 7,-0.1 7,-0.1 -18,-0.0 -0.237 15.2-153.5 -72.3 151.2 69.6 43.7 20.7 50 52 A V - 0 0 23 5,-0.3 5,-0.2 2,-0.2 184,-0.1 -0.941 25.8-121.4-114.6 146.5 72.1 46.3 22.1 51 53 A P S S+ 0 0 115 0, 0.0 2,-0.7 0, 0.0 183,-0.1 0.763 90.5 91.1 -53.4 -31.8 71.8 50.1 21.4 52 54 A N > - 0 0 31 181,-0.5 3,-1.6 1,-0.2 -2,-0.2 -0.619 66.0-157.2 -74.7 112.5 75.4 50.1 19.9 53 55 A A T 3 S+ 0 0 20 -2,-0.7 -22,-2.5 1,-0.3 -21,-0.6 0.591 86.1 67.2 -62.2 -13.2 75.0 49.5 16.1 54 56 A N T 3 S+ 0 0 38 -25,-0.2 -27,-2.1 -24,-0.2 2,-0.4 0.413 96.5 58.5 -92.9 3.5 78.6 48.2 16.0 55 57 A Y E < -B 26 0A 1 -3,-1.6 2,-0.4 -29,-0.2 -5,-0.3 -0.990 54.7-174.1-133.9 145.3 78.1 45.1 18.1 56 58 A L E -B 25 0A 12 -31,-2.4 -31,-3.1 -2,-0.4 2,-0.5 -0.996 12.6-152.7-134.9 130.2 75.9 42.0 17.8 57 59 A F E -B 24 0A 9 -2,-0.4 2,-0.6 -9,-0.3 -9,-0.5 -0.915 12.8-162.2-101.6 122.9 75.6 39.3 20.5 58 60 A V E -B 23 0A 6 -35,-2.5 -35,-3.1 -2,-0.5 2,-0.6 -0.943 5.0-152.5-110.9 115.8 74.6 35.9 18.9 59 61 A D E -B 22 0A 35 -2,-0.6 -14,-2.9 -37,-0.2 -13,-0.4 -0.788 18.3-179.6 -93.5 116.4 73.2 33.3 21.3 60 62 A L E -BD 21 44A 4 -39,-3.4 -39,-2.6 -2,-0.6 2,-0.5 -0.859 21.1-153.7-113.5 148.0 73.8 29.7 20.3 61 63 A E E -BD 20 43A 82 -18,-2.2 -18,-2.3 -2,-0.3 2,-0.9 -0.974 12.5-160.3-118.7 114.1 72.7 26.4 22.0 62 64 A I E - D 0 42A 8 -43,-2.7 -20,-0.2 -2,-0.5 -46,-0.1 -0.839 15.5-149.1-100.0 101.6 75.1 23.7 21.0 63 65 A G > - 0 0 9 -22,-3.2 3,-2.0 -2,-0.9 -48,-0.3 -0.196 26.5-108.9 -67.3 159.7 73.4 20.4 21.7 64 66 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.752 119.6 63.2 -60.0 -19.6 75.1 17.2 22.6 65 67 A E T 3 S+ 0 0 124 -24,-0.2 2,-0.2 2,-0.1 -23,-0.1 0.632 77.0 110.5 -80.9 -11.2 74.2 16.0 19.1 66 68 A A < - 0 0 5 -3,-2.0 -51,-0.2 -25,-0.4 -25,-0.2 -0.460 57.6-150.9 -69.5 134.7 76.3 18.6 17.4 67 69 A Q - 0 0 127 -27,-0.5 21,-0.1 -2,-0.2 -2,-0.1 -0.665 26.7 -85.8-104.5 155.7 79.4 17.2 15.7 68 70 A P S S+ 0 0 57 0, 0.0 2,-0.3 0, 0.0 21,-0.2 -0.333 82.6 89.5 -55.8 141.3 82.8 18.6 15.0 69 71 A G E - G 0 88B 26 19,-2.2 19,-3.3 -3,-0.1 2,-0.3 -0.979 67.5 -87.9 165.1-155.4 82.8 20.6 11.8 70 72 A S E - G 0 87B 54 -2,-0.3 2,-0.3 17,-0.3 17,-0.2 -0.981 28.6-179.4-147.5 158.2 82.1 24.1 10.5 71 73 A F E - G 0 86B 10 15,-2.3 15,-3.4 -2,-0.3 2,-0.4 -0.988 29.7-105.5-155.7 151.6 79.2 26.2 9.3 72 74 A D E - G 0 85B 35 -2,-0.3 2,-0.5 13,-0.2 -34,-0.5 -0.632 18.0-156.0 -82.4 133.9 78.6 29.7 8.0 73 75 A I E - G 0 84B 0 11,-2.6 11,-1.5 -2,-0.4 2,-0.5 -0.965 19.5-159.9-101.2 128.5 76.9 32.3 10.2 74 76 A V E -FG 36 83B 31 -38,-2.9 -38,-1.4 -2,-0.5 2,-0.5 -0.939 8.8-160.0-118.4 128.7 75.3 34.8 7.8 75 77 A F E -FG 35 82B 0 7,-3.1 7,-2.3 -2,-0.5 2,-0.3 -0.945 15.8-174.9-113.0 124.0 74.4 38.4 8.8 76 78 A K E +FG 34 81B 138 -42,-2.4 -42,-2.1 -2,-0.5 2,-0.2 -0.911 24.4 89.6-125.9 144.7 71.8 40.1 6.6 77 79 A G E > + G 0 80B 17 3,-1.8 3,-1.9 -2,-0.3 -44,-0.1 -0.814 58.7 54.6 152.0 170.0 70.4 43.6 6.5 78 80 A D T 3 S- 0 0 97 1,-0.3 3,-0.1 -2,-0.2 -45,-0.1 0.774 126.9 -66.4 47.6 31.7 70.7 47.2 5.0 79 81 A G T 3 S+ 0 0 88 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.885 116.4 96.9 53.5 43.7 70.7 45.4 1.6 80 82 A R E < - G 0 77B 77 -3,-1.9 -3,-1.8 2,-0.0 2,-0.3 -0.943 58.0-142.1-149.3 172.5 74.1 43.6 2.4 81 83 A S E - G 0 76B 73 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.983 9.1-174.0-146.7 127.9 75.5 40.3 3.6 82 84 A E E - G 0 75B 40 -7,-2.3 -7,-3.1 -2,-0.3 2,-0.3 -0.912 11.1-163.0-117.6 146.5 78.5 39.3 5.8 83 85 A R E - G 0 74B 159 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.894 10.6-171.6-123.5 157.4 79.6 35.8 6.5 84 86 A Y E - G 0 73B 61 -11,-1.5 -11,-2.6 -2,-0.3 2,-0.9 -0.930 24.2-134.5-144.9 126.4 81.9 34.1 9.1 85 87 A R E - G 0 72B 155 -2,-0.3 2,-0.5 -13,-0.2 -13,-0.2 -0.740 27.4-156.5 -80.8 107.8 82.9 30.4 8.8 86 88 A Y E - G 0 71B 0 -15,-3.4 -15,-2.3 -2,-0.9 2,-0.4 -0.764 3.8-154.9 -91.9 127.1 82.4 29.1 12.4 87 89 A R E - G 0 70B 157 -2,-0.5 -75,-2.6 -77,-0.4 2,-0.6 -0.849 11.8-164.0-105.7 132.6 84.4 26.0 13.5 88 90 A L E -eG 12 69B 1 -19,-3.3 -19,-2.2 -2,-0.4 -75,-0.3 -0.970 25.6-150.9-107.1 109.8 83.4 23.5 16.2 89 91 A L E -e 13 0B 36 -77,-3.0 -75,-2.5 -2,-0.6 2,-0.4 -0.470 15.0-112.5 -80.7 153.8 86.6 21.6 17.0 90 92 A A - 0 0 64 -77,-0.2 2,-0.2 -2,-0.1 -75,-0.1 -0.718 38.8-117.8 -75.7 135.4 86.8 18.0 18.2 91 93 A R - 0 0 48 -2,-0.4 3,-0.1 -77,-0.3 -1,-0.0 -0.533 27.6-106.3 -74.0 138.1 88.1 17.9 21.8 92 94 A E > - 0 0 160 -2,-0.2 3,-1.8 207,-0.2 4,-0.2 -0.287 50.4 -86.5 -54.2 148.6 91.4 16.1 22.5 93 95 A Q T 3 S+ 0 0 194 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.385 115.2 13.3 -62.6 133.7 91.0 12.8 24.3 94 96 A G T 3 S+ 0 0 50 -3,-0.1 4,-0.3 -2,-0.1 -1,-0.3 0.559 85.8 136.5 78.1 9.6 90.8 13.2 28.1 95 97 A S S X S+ 0 0 9 -3,-1.8 3,-1.5 1,-0.2 -2,-0.1 0.932 70.5 43.1 -56.3 -53.1 90.3 17.0 27.8 96 98 A A T 3 S+ 0 0 25 1,-0.3 236,-0.5 -4,-0.2 -1,-0.2 0.843 115.6 50.9 -65.3 -31.2 87.5 17.4 30.3 97 99 A Q T 3 S+ 0 0 92 233,-0.1 -1,-0.3 234,-0.1 -2,-0.2 0.313 78.4 147.2 -89.5 7.9 89.2 15.0 32.8 98 100 A R < - 0 0 32 -3,-1.5 2,-0.6 -4,-0.3 234,-0.3 -0.102 51.9-118.4 -50.1 138.2 92.6 16.8 32.6 99 101 A Q - 0 0 136 234,-0.1 234,-0.2 232,-0.1 -1,-0.1 -0.681 27.0-145.5 -85.7 119.4 94.5 16.7 35.9 100 102 A G - 0 0 2 232,-2.5 205,-0.2 -2,-0.6 233,-0.1 -0.311 36.6 -76.4 -71.5 166.2 95.1 20.2 37.4 101 103 A F + 0 0 3 203,-1.0 -1,-0.2 233,-0.2 234,-0.1 -0.303 65.5 163.4 -61.0 144.8 98.3 21.0 39.3 102 104 A G > - 0 0 9 -3,-0.1 3,-2.5 232,-0.1 305,-0.1 -0.825 51.5 -55.1-149.4-169.2 98.3 19.6 42.8 103 105 A P T 3 S+ 0 0 34 0, 0.0 340,-0.2 0, 0.0 411,-0.1 0.758 125.3 57.0 -49.6 -31.2 100.3 18.7 46.0 104 106 A G T 3 S+ 0 0 30 409,-0.1 2,-0.1 340,-0.1 405,-0.1 0.599 98.2 80.3 -76.2 -13.1 102.7 16.4 43.9 105 107 A D < - 0 0 34 -3,-2.5 2,-0.4 408,-0.1 55,-0.1 -0.470 62.1-153.7 -91.4 163.8 103.7 19.3 41.7 106 108 A A - 0 0 4 -2,-0.1 55,-2.9 338,-0.1 56,-1.2 -0.989 18.1-142.9-137.0 131.8 106.1 22.2 42.1 107 109 A I E -hi 162 446C 3 338,-2.8 340,-2.8 -2,-0.4 2,-0.5 -0.812 5.7-156.7-102.0 131.8 105.5 25.4 40.1 108 110 A Y E -hi 163 447C 0 54,-2.8 56,-2.7 -2,-0.4 2,-0.4 -0.945 16.7-154.0-104.7 125.4 108.2 27.6 38.5 109 111 A Q E +hi 164 448C 0 338,-2.9 340,-3.0 -2,-0.5 2,-0.3 -0.832 17.4 171.9-103.7 134.1 107.0 31.2 38.0 110 112 A I E -h 165 0C 3 54,-2.2 56,-2.2 -2,-0.4 3,-0.1 -0.938 35.9-134.0-128.5 157.2 108.4 33.6 35.3 111 113 A M >> - 0 0 6 -2,-0.3 3,-1.9 54,-0.2 4,-0.6 -0.988 28.4-144.0-101.2 114.7 107.6 37.0 33.9 112 114 A P H >> S+ 0 0 1 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.856 96.8 54.4 -54.7 -37.9 107.9 36.1 30.1 113 115 A D H 34 S+ 0 0 0 65,-0.4 30,-2.3 1,-0.2 28,-0.2 0.752 115.2 39.7 -62.8 -23.6 109.4 39.6 29.3 114 116 A R H <4 S+ 0 0 10 -3,-1.9 357,-2.5 28,-0.1 -1,-0.2 0.366 105.7 65.2-111.0 3.1 112.2 39.1 32.0 115 117 A F H << S- 0 0 2 -3,-0.8 2,-0.3 -4,-0.6 356,-0.1 0.946 108.4 -14.3 -94.1 -68.8 113.1 35.4 31.5 116 118 A A < - 0 0 1 -4,-0.6 28,-2.8 28,-0.2 2,-1.1 -0.975 44.5-148.7-150.1 128.6 114.7 34.7 28.1 117 119 A N + 0 0 20 357,-3.1 359,-0.3 -2,-0.3 26,-0.2 -0.768 27.0 164.3 -97.0 88.5 114.9 36.6 24.9 118 120 A G S S+ 0 0 14 -2,-1.1 -1,-0.2 1,-0.3 25,-0.1 0.688 73.5 32.0 -81.2 -19.8 114.9 33.9 22.3 119 121 A D > - 0 0 41 23,-0.4 3,-1.4 -3,-0.1 -1,-0.3 -0.808 59.5-175.0-139.7 95.2 114.1 36.2 19.4 120 122 A P G > S+ 0 0 86 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.750 79.8 74.3 -60.7 -19.7 115.4 39.8 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63.3 -86.2 5.7 98.2 42.9 33.7 182 184 A A S S- 0 0 14 -5,-0.2 -1,-0.2 -13,-0.2 41,-0.2 -0.702 79.8-158.2-126.4 76.9 96.4 45.4 31.5 183 185 A A + 0 0 3 38,-0.3 40,-2.9 -2,-0.3 -12,-0.2 -0.276 22.8 178.3 -62.7 139.3 95.0 43.4 28.6 184 186 A T S S+ 0 0 2 -14,-2.8 43,-1.1 1,-0.3 2,-0.2 0.403 83.5 21.8-114.8 -5.1 94.1 45.2 25.3 185 187 A D E > -M 170 0D 18 -15,-0.9 3,-1.2 3,-0.2 -15,-0.7 -0.708 61.9-168.2-161.2 102.3 93.1 41.9 23.5 186 188 A H E 3 S+ 0 0 8 1,-0.2 -17,-0.1 -2,-0.2 -1,-0.0 0.623 88.6 53.7 -69.3 -14.9 92.0 38.9 25.5 187 189 A Y E 3 S+ 0 0 13 1,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.246 101.4 68.3-103.1 13.7 92.1 36.6 22.5 188 190 A R E < S- 0 0 101 -3,-1.2 -18,-2.8 -18,-0.1 -3,-0.2 -0.989 72.9-129.4-141.3 128.3 95.6 37.4 21.3 189 191 A I E -M 169 0D 5 -2,-0.4 -20,-0.3 -20,-0.3 7,-0.2 -0.502 49.4 -97.2 -60.4 134.6 99.2 36.8 22.6 190 192 A D >> - 0 0 0 -22,-3.3 3,-2.7 -2,-0.2 4,-1.2 -0.437 33.0-130.5 -52.0 123.5 101.1 40.1 22.6 191 193 A P T 34 S+ 0 0 27 0, 0.0 -1,-0.2 0, 0.0 -67,-0.1 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286 A P H 3> S+ 0 0 83 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.793 97.9 59.3 -57.1 -27.1 75.8 39.2 31.9 285 287 A L H 3> S+ 0 0 28 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.878 108.1 45.6 -66.4 -36.6 77.4 39.9 28.5 286 288 A V H <> S+ 0 0 1 -3,-1.2 4,-2.2 -6,-0.3 5,-0.2 0.912 113.1 50.3 -70.2 -42.9 80.7 40.8 30.4 287 289 A A H X S+ 0 0 2 -4,-2.1 4,-2.4 -7,-0.2 5,-0.2 0.957 112.9 45.4 -60.2 -50.1 80.3 37.7 32.6 288 290 A N H X S+ 0 0 34 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.879 110.1 56.5 -60.0 -37.5 79.8 35.4 29.6 289 291 A Y H X S+ 0 0 5 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.932 111.8 39.8 -62.4 -47.6 82.7 37.0 27.8 290 292 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.902 115.2 51.4 -71.5 -42.5 85.2 36.3 30.5 291 293 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.964 114.9 42.8 -60.5 -50.5 84.0 32.8 31.3 292 294 A Q H X S+ 0 0 7 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.886 111.6 54.7 -65.1 -39.0 84.1 31.8 27.7 293 295 A N H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.928 110.5 44.8 -61.2 -42.4 87.5 33.5 27.1 294 296 A N 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326 A R H X S+ 0 0 116 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.925 113.0 45.7 -63.6 -46.4 81.1 27.0 38.9 325 327 A R H X S+ 0 0 8 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.914 114.4 46.1 -63.7 -45.6 81.4 27.1 35.1 326 328 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.2 0.942 115.9 45.4 -64.0 -46.2 85.1 26.5 34.9 327 329 A M H < S+ 0 0 14 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.771 107.2 58.9 -73.7 -24.5 85.1 23.6 37.3 328 330 A A H < S+ 0 0 38 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.871 110.9 42.7 -66.7 -37.1 82.0 22.1 35.6 329 331 A E H < S+ 0 0 3 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.926 131.4 23.3 -69.0 -45.9 84.0 21.9 32.4 330 332 A Y >< + 0 0 0 -4,-2.3 3,-2.2 -5,-0.1 -1,-0.2 -0.725 67.2 177.8-128.3 77.6 87.2 20.6 34.1 331 333 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -234,-0.1 0.724 83.6 47.0 -59.3 -25.0 86.4 19.0 37.4 332 334 A R T 3 S+ 0 0 136 -236,-0.5 -232,-2.5 -234,-0.3 -235,-0.1 0.299 89.2 117.8 -96.6 6.4 90.0 18.0 38.2 333 335 A L < - 0 0 4 -3,-2.2 2,-0.4 -234,-0.2 -28,-0.2 -0.161 54.5-142.7 -69.2 161.7 91.4 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23.9 50.3 354 356 A K < - 0 0 51 -3,-1.7 2,-1.0 8,-0.2 -1,-0.3 -0.513 49.4-138.0 -70.2 132.3 83.9 26.8 52.9 355 357 A A - 0 0 98 -2,-0.2 2,-0.3 6,-0.1 6,-0.1 -0.805 29.5-162.0 -89.1 102.3 80.8 27.4 55.0 356 358 A N > - 0 0 22 -2,-1.0 3,-1.9 4,-0.5 -101,-0.0 -0.664 26.8-128.4 -94.2 144.6 80.6 31.2 55.0 357 359 A F T 3 S+ 0 0 89 -2,-0.3 -1,-0.1 1,-0.3 -102,-0.0 0.768 113.8 43.5 -55.2 -31.5 78.7 33.3 57.5 358 360 A D T 3 S- 0 0 72 2,-0.1 -1,-0.3 -103,-0.0 -102,-0.0 0.208 118.1-110.3 -98.8 8.8 76.9 35.1 54.6 359 361 A G < + 0 0 53 -3,-1.9 -2,-0.1 1,-0.2 2,-0.1 0.581 57.9 166.7 69.8 13.6 76.3 31.9 52.6 360 362 A Y - 0 0 23 1,-0.0 -4,-0.5 -5,-0.0 2,-0.4 -0.364 17.6-161.3 -62.9 129.0 78.9 32.9 50.0 361 363 A T + 0 0 87 -6,-0.1 2,-0.3 -2,-0.1 -9,-0.1 -0.925 12.9 174.7-116.7 148.2 79.7 29.9 47.8 362 364 A S - 0 0 12 -2,-0.4 -9,-0.7 -11,-0.2 -8,-0.2 -0.981 31.3-157.0-147.0 150.3 82.7 29.4 45.6 363 365 A H + 0 0 83 -2,-0.3 -12,-0.1 -44,-0.3 -11,-0.1 0.243 52.4 133.2-109.1 10.3 84.2 26.6 43.4 364 366 A L - 0 0 0 -14,-0.4 -12,-3.0 1,-0.1 -28,-0.1 -0.401 41.6-161.6 -64.2 116.2 87.8 28.1 43.6 365 367 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -29,-0.2 0.823 61.5 16.2 -71.3 -27.0 90.2 25.2 44.4 366 368 A S E -p 336 0E 0 -31,-2.0 -29,-2.6 -16,-0.1 2,-0.3 -0.946 52.1-164.1-147.3 157.3 93.2 27.1 45.7 367 369 A L E -p 337 0E 0 -2,-0.3 42,-2.3 -31,-0.3 2,-0.4 -0.937 38.2 -96.5-136.4 160.1 94.6 30.5 47.0 368 370 A M B -k 409 0C 2 -31,-2.1 2,-1.9 -2,-0.3 -29,-0.2 -0.638 36.0-129.8 -74.1 130.6 98.1 31.9 47.4 369 371 A D > + 0 0 1 40,-3.3 4,-2.1 -2,-0.4 42,-0.2 -0.381 46.3 154.4 -86.5 65.3 99.2 31.4 51.0 370 372 A F H > + 0 0 3 -2,-1.9 4,-2.7 -31,-0.3 5,-0.3 0.882 68.1 59.7 -57.3 -39.9 100.3 34.9 51.8 371 373 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.928 109.9 40.7 -56.9 -44.1 99.7 34.5 55.6 372 374 A L H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.896 115.1 50.9 -76.3 -35.2 102.2 31.6 55.9 373 375 A V H X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.944 111.9 48.0 -62.0 -46.7 104.8 33.2 53.5 374 376 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23.3 53.5 404 406 A E > + 0 0 49 1,-0.1 3,-1.8 -52,-0.1 4,-0.3 -0.595 67.2 164.7-140.6 72.1 91.6 22.1 51.6 405 407 A P G > S+ 0 0 13 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.835 77.2 66.0 -60.7 -32.8 94.8 23.6 53.1 406 408 A Q G 3 S+ 0 0 86 1,-0.3 -2,-0.0 37,-0.1 -7,-0.0 0.677 97.6 55.5 -60.5 -17.6 96.8 21.0 51.2 407 409 A N G < S+ 0 0 15 -3,-1.8 -1,-0.3 36,-0.1 2,-0.1 0.433 84.3 107.8 -97.6 -2.4 95.7 22.5 47.9 408 410 A L S < S- 0 0 0 -3,-1.7 36,-2.9 34,-0.3 2,-0.6 -0.431 73.4-118.1 -73.8 152.1 96.9 26.1 48.7 409 411 A V E -kl 368 444C 0 -42,-2.3 -40,-3.3 34,-0.2 2,-0.4 -0.826 26.9-169.0 -96.6 120.4 100.0 27.4 46.9 410 412 A L E - l 0 445C 2 34,-2.2 36,-2.1 -2,-0.6 2,-0.3 -0.870 14.4-169.0-104.8 142.4 102.9 28.2 49.2 411 413 A F E - l 0 446C 2 -2,-0.4 36,-0.2 -42,-0.2 3,-0.1 -0.941 37.3-138.2-138.6 153.0 105.7 30.2 47.6 412 414 A G S S- 0 0 1 34,-1.9 2,-0.3 -2,-0.3 35,-0.1 0.811 84.5 -56.3 -73.2 -32.0 109.3 31.3 48.1 413 415 A G - 0 0 0 33,-0.3 -1,-0.3 6,-0.1 2,-0.3 -0.959 54.3-144.2 178.0-172.6 108.4 34.7 46.7 414 416 A N > - 0 0 1 -2,-0.3 3,-1.3 4,-0.3 34,-0.1 -0.919 42.4 -76.7-160.7-172.7 106.9 36.3 43.6 415 417 A H T 3 S+ 0 0 0 -2,-0.3 52,-0.2 1,-0.2 4,-0.1 0.453 120.7 57.8 -75.6 -2.8 107.1 39.3 41.3 416 418 A D T 3 S+ 0 0 17 2,-0.1 2,-0.3 51,-0.1 -1,-0.2 0.331 104.2 47.4-107.6 2.0 105.1 41.5 43.8 417 419 A M S < S- 0 0 17 -3,-1.3 -3,-0.2 50,-0.1 3,-0.1 -0.905 96.2 -65.0-144.2 169.5 107.4 41.2 46.9 418 420 A A - 0 0 12 -2,-0.3 -4,-0.3 41,-0.2 41,-0.1 -0.127 67.3 -89.3 -53.3 144.9 111.0 41.4 48.0 419 421 A R > - 0 0 5 39,-0.4 4,-3.0 1,-0.1 3,-0.3 -0.321 36.0-117.6 -57.6 138.9 113.3 38.8 46.6 420 422 A M H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 6,-0.1 0.825 113.7 47.7 -47.1 -47.6 113.4 35.6 48.7 421 423 A F H 4>S+ 0 0 9 34,-0.6 5,-2.6 2,-0.2 6,-0.4 0.904 113.9 47.7 -66.6 -40.7 117.2 35.9 49.5 422 424 A S H >45S+ 0 0 12 33,-0.5 3,-1.9 -3,-0.3 -2,-0.2 0.896 107.9 54.5 -65.6 -41.2 116.8 39.6 50.5 423 425 A A H 3<5S+ 0 0 14 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.759 105.8 54.4 -61.5 -25.4 113.8 38.9 52.7 424 426 A A T ><5S- 0 0 4 -4,-1.0 3,-1.2 -3,-0.3 -1,-0.3 0.146 122.9-109.6 -91.0 13.3 116.0 36.4 54.5 425 427 A G T < 5 - 0 0 56 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.757 60.8 -71.4 63.0 30.3 118.6 39.2 55.1 426 428 A E T 3 - 0 0 36 -3,-1.2 4,-2.6 -6,-0.4 -1,-0.2 -0.882 36.0-165.2-102.3 104.9 121.6 35.0 55.2 428 430 A F H > S+ 0 0 38 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.868 86.5 52.8 -63.2 -39.2 122.3 31.7 53.3 429 431 A D H > S+ 0 0 60 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.923 113.2 43.5 -65.2 -40.4 121.7 29.5 56.3 430 432 A R H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.878 109.7 57.4 -71.8 -33.7 118.4 31.1 57.0 431 433 A W H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.899 101.5 56.7 -59.9 -40.8 117.5 31.0 53.3 432 434 A R H X S+ 0 0 57 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.891 103.4 53.9 -56.8 -41.1 118.1 27.2 53.4 433 435 A M H X S+ 0 0 0 -4,-1.2 4,-2.7 1,-0.2 -2,-0.2 0.937 108.3 49.3 -60.7 -46.9 115.4 27.0 56.2 434 436 A N H X S+ 0 0 9 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.921 112.2 48.3 -56.1 -42.6 112.9 28.8 54.0 435 437 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.936 111.7 48.0 -68.3 -45.1 113.7 26.5 51.1 436 438 A V H X S+ 0 0 0 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.938 112.8 50.7 -55.7 -45.5 113.3 23.3 53.2 437 439 A F H >X S+ 0 0 3 -4,-2.7 4,-1.8 1,-0.2 3,-1.0 0.921 109.0 50.2 -59.4 -49.2 110.1 24.7 54.6 438 440 A L H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.896 113.7 45.5 -56.8 -41.9 108.7 25.4 51.2 439 441 A M H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.491 119.1 39.6 -85.8 -4.0 109.5 21.9 49.9 440 442 A T H << S+ 0 0 0 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.518 86.0 104.1-122.4 -13.7 108.1 20.0 53.0 441 443 A M S < S- 0 0 0 -4,-1.8 2,-2.1 -5,-0.2 -31,-0.1 -0.315 85.7-102.9 -68.0 157.2 104.9 21.8 54.0 442 444 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -34,-0.3 -0.531 92.4 92.5 -79.1 74.8 101.5 20.2 53.2 443 445 A R S S- 0 0 4 -2,-2.1 -34,-0.2 69,-0.2 -36,-0.1 -0.899 88.5 -94.1-151.2 171.7 101.1 22.7 50.3 444 446 A I E - l 0 409C 0 -36,-2.9 -34,-2.2 -2,-0.3 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