==== 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 3EDK . 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) . 42566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 797 66.8 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 . 96 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 174 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 19.3 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 3 1 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 96 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 159.7 84.9 50.4 10.2 2 4 A T - 0 0 118 25,-0.0 26,-0.1 2,-0.0 0, 0.0 -0.776 360.0 -59.5-112.2 140.9 84.9 47.2 8.0 3 5 A A S S- 0 0 49 -2,-0.3 2,-0.6 1,-0.1 25,-0.2 0.213 107.4 -17.0 41.7-136.7 83.0 43.9 7.8 4 6 A I + 0 0 36 79,-0.2 23,-0.3 1,-0.1 -1,-0.1 -0.944 64.5 178.8-101.9 114.5 83.3 41.8 10.9 5 7 A E + 0 0 101 21,-2.2 2,-0.4 -2,-0.6 22,-0.2 0.858 67.6 17.4 -86.7 -41.7 86.2 43.1 12.9 6 8 A H E -A 26 0A 33 20,-1.9 20,-2.8 2,-0.0 2,-0.4 -1.000 54.5-175.9-133.5 138.0 86.0 40.8 15.9 7 9 A M E -A 25 0A 12 -2,-0.4 18,-0.2 18,-0.2 16,-0.0 -0.970 29.2-137.7-128.1 115.7 84.2 37.4 16.4 8 10 A E E S+A 24 0A 8 16,-2.1 16,-3.1 -2,-0.4 285,-0.1 -0.984 87.9 19.5-136.6 124.1 84.5 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 0.633 86.1-153.1 -67.5 152.3 85.0 33.4 20.8 10 12 A P S S- 0 0 28 0, 0.0 77,-0.4 0, 0.0 2,-0.3 0.666 73.6 -6.6 -74.9 -18.9 86.4 32.8 17.2 11 13 A F - 0 0 41 75,-0.1 2,-0.2 78,-0.0 77,-0.2 -0.931 69.2-163.1-161.0 170.9 85.5 29.1 17.3 12 14 A W E -e 88 0B 4 75,-2.6 77,-3.2 -2,-0.3 2,-0.4 -0.660 19.6 -95.6-145.0-162.5 84.3 26.6 19.8 13 15 A W E > -e 89 0B 9 75,-0.3 3,-0.5 -2,-0.2 2,-0.3 -0.957 19.2-125.3-130.6 145.9 84.0 22.8 20.5 14 16 A A T 3 S+ 0 0 9 75,-2.5 77,-0.3 -2,-0.4 53,-0.1 -0.622 93.8 30.4 -72.7 145.7 81.4 20.1 20.2 15 17 A G T 3 S+ 0 0 48 48,-0.3 -1,-0.2 -2,-0.3 2,-0.1 0.753 75.5 155.0 77.7 27.0 80.7 18.3 23.4 16 18 A M < - 0 0 9 -3,-0.5 -1,-0.2 2,-0.2 313,-0.1 -0.386 51.6-118.7 -75.4 163.7 81.2 20.9 26.1 17 19 A Q S S+ 0 0 119 308,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.954 102.1 57.3 -69.3 -50.1 79.4 20.6 29.4 18 20 A H S S- 0 0 71 1,-0.1 -2,-0.2 307,-0.1 44,-0.1 -0.708 72.6-158.0 -85.9 127.9 77.5 23.9 29.1 19 21 A K + 0 0 65 -2,-0.4 43,-2.7 42,-0.1 -1,-0.1 0.853 62.6 90.8 -76.3 -34.9 75.4 23.9 25.9 20 22 A G E - B 0 61A 14 41,-0.2 2,-0.4 39,-0.0 41,-0.2 -0.287 49.3-177.0 -66.6 142.3 75.0 27.7 25.5 21 23 A L E - B 0 60A 3 39,-2.6 39,-3.4 2,-0.0 2,-0.6 -0.974 8.5-161.6-137.6 126.0 77.5 29.7 23.4 22 24 A Q E - B 0 59A 21 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.939 9.4-155.0-111.9 112.4 77.1 33.5 23.2 23 25 A L E - B 0 58A 0 35,-3.0 35,-2.5 -2,-0.6 2,-0.7 -0.702 3.3-153.1 -87.9 130.0 79.0 35.1 20.3 24 26 A M E -AB 8 57A 6 -16,-3.1 -16,-2.1 -2,-0.4 2,-0.4 -0.936 18.4-169.7-102.2 114.1 80.1 38.7 20.7 25 27 A V E -AB 7 56A 0 31,-3.1 31,-2.4 -2,-0.7 2,-0.4 -0.884 3.3-169.9-111.1 132.6 80.3 40.1 17.1 26 28 A H E +AB 6 55A 14 -20,-2.8 -21,-2.2 -2,-0.4 -20,-1.9 -0.989 27.9 109.5-128.7 133.6 81.8 43.5 16.4 27 29 A G S > S- 0 0 0 27,-2.1 3,-2.0 -2,-0.4 4,-0.4 -0.862 73.2 -57.0 174.1 160.1 81.8 45.5 13.1 28 30 A R T 3 S- 0 0 130 1,-0.3 26,-0.2 -2,-0.2 -2,-0.0 -0.329 119.7 -13.5 -56.6 120.8 80.2 48.6 11.7 29 31 A D T > S+ 0 0 47 -2,-0.1 3,-1.2 1,-0.1 -1,-0.3 0.622 88.5 137.3 59.9 22.3 76.4 48.4 11.9 30 32 A I G X + 0 0 0 -3,-2.0 3,-1.5 1,-0.3 24,-0.2 0.842 68.5 61.4 -65.0 -31.6 76.5 44.6 12.7 31 33 A G G 3 S+ 0 0 24 22,-2.2 -1,-0.3 -4,-0.4 23,-0.2 0.694 93.5 63.7 -64.0 -22.3 73.8 45.3 15.3 32 34 A R G < S+ 0 0 139 -3,-1.2 -1,-0.3 21,-0.7 2,-0.2 0.409 96.6 84.7 -79.9 2.5 71.5 46.5 12.5 33 35 A M S < S- 0 0 11 -3,-1.5 2,-0.4 20,-0.1 44,-0.2 -0.573 71.4-133.0-108.6 165.8 71.7 43.0 11.1 34 36 A E E -F 76 0B 131 42,-2.3 42,-2.7 -2,-0.2 2,-0.2 -0.980 23.0-139.9-117.8 128.0 69.9 39.6 11.6 35 37 A A E +F 75 0B 12 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.523 21.4 176.4 -87.1 156.4 71.9 36.4 12.0 36 38 A A E +F 74 0B 53 38,-1.0 38,-3.1 -2,-0.2 2,-0.3 -0.976 2.0 168.9-155.2 147.2 71.0 33.0 10.5 37 39 A L - 0 0 38 -2,-0.3 2,-0.3 36,-0.2 7,-0.2 -0.974 21.1-151.4-154.2 164.0 72.7 29.5 10.4 38 40 A D + 0 0 147 34,-0.5 34,-0.2 -2,-0.3 5,-0.1 -0.798 38.1 130.3-145.5 101.5 72.0 25.9 9.5 39 41 A Y B > -C 42 0A 38 3,-0.5 3,-2.0 -2,-0.3 32,-0.1 -0.950 59.2-105.6-152.4 126.9 73.9 23.1 11.3 40 42 A P T 3 S+ 0 0 102 0, 0.0 27,-0.5 0, 0.0 3,-0.1 -0.305 105.7 14.6 -57.8 129.8 72.4 20.0 12.9 41 43 A G T 3 S+ 0 0 17 1,-0.2 22,-3.4 25,-0.2 2,-0.6 0.184 102.8 103.2 94.3 -17.6 72.4 20.3 16.7 42 44 A V E < -CD 39 62A 14 -3,-2.0 -3,-0.5 20,-0.2 2,-0.5 -0.898 52.0-166.9-101.0 124.6 73.1 24.0 16.8 43 45 A R E - D 0 61A 141 18,-2.7 18,-2.3 -2,-0.6 2,-0.7 -0.952 15.7-142.1-112.2 127.5 70.1 26.2 17.6 44 46 A L E - D 0 60A 47 -2,-0.5 16,-0.2 16,-0.2 -7,-0.1 -0.775 12.5-158.6 -84.0 115.3 70.1 30.0 17.0 45 47 A V - 0 0 57 14,-3.2 -1,-0.1 -2,-0.7 15,-0.1 0.896 37.0-107.7 -67.6 -45.5 68.1 31.5 20.0 46 48 A S - 0 0 71 13,-0.4 -1,-0.1 2,-0.0 -12,-0.0 0.185 43.9 -61.1 114.2 131.3 67.1 34.9 18.5 47 49 A P - 0 0 76 0, 0.0 2,-0.5 0, 0.0 11,-0.1 0.210 24.7-171.9 -50.9 140.6 68.3 38.4 19.2 48 50 A T - 0 0 107 9,-0.4 9,-0.3 2,-0.0 -2,-0.0 -0.951 39.5-140.4-115.9 104.8 68.2 40.5 22.4 49 51 A R - 0 0 182 -2,-0.5 7,-0.1 7,-0.1 4,-0.1 -0.221 11.8-148.6 -69.3 153.3 69.5 43.7 20.8 50 52 A V - 0 0 22 5,-0.4 5,-0.2 2,-0.2 184,-0.1 -0.945 25.8-119.3-114.1 143.7 71.9 46.2 22.3 51 53 A P S S+ 0 0 90 0, 0.0 2,-0.6 0, 0.0 183,-0.1 0.775 91.5 91.8 -49.7 -33.3 71.6 50.0 21.6 52 54 A N > - 0 0 31 181,-0.4 3,-1.5 1,-0.2 -2,-0.2 -0.577 65.8-156.9 -72.1 114.9 75.1 50.1 20.0 53 55 A A T 3 S+ 0 0 32 -2,-0.6 -22,-2.2 1,-0.3 -21,-0.7 0.551 86.5 66.9 -67.8 -9.0 74.8 49.4 16.3 54 56 A N T 3 S+ 0 0 30 -25,-0.2 -27,-2.1 -24,-0.2 2,-0.4 0.418 96.3 57.6 -95.8 2.5 78.4 48.2 16.2 55 57 A Y E < -B 26 0A 1 -3,-1.5 2,-0.4 -29,-0.2 -5,-0.4 -0.988 55.2-175.2-133.1 144.4 77.9 45.0 18.3 56 58 A L E -B 25 0A 11 -31,-2.4 -31,-3.1 -2,-0.4 2,-0.6 -0.995 12.9-152.4-135.8 130.6 75.7 42.0 18.0 57 59 A F E -B 24 0A 10 -2,-0.4 2,-0.6 -9,-0.3 -9,-0.4 -0.913 12.1-161.3-101.7 122.9 75.4 39.2 20.5 58 60 A V E -B 23 0A 6 -35,-2.5 -35,-3.0 -2,-0.6 2,-0.7 -0.935 5.4-151.1-108.6 117.8 74.4 35.9 19.0 59 61 A D E +B 22 0A 38 -2,-0.6 -14,-3.2 -37,-0.2 -13,-0.4 -0.796 19.5 179.0 -93.9 113.4 72.9 33.3 21.4 60 62 A L E -BD 21 44A 4 -39,-3.4 -39,-2.6 -2,-0.7 2,-0.5 -0.819 20.8-154.9-108.3 147.2 73.6 29.6 20.3 61 63 A E E -BD 20 43A 80 -18,-2.3 -18,-2.7 -2,-0.3 2,-0.9 -0.987 11.7-159.3-119.7 116.3 72.6 26.4 22.0 62 64 A I E - D 0 42A 10 -43,-2.7 -20,-0.2 -2,-0.5 -46,-0.1 -0.860 15.5-148.0 -99.4 103.1 75.0 23.7 20.9 63 65 A G > - 0 0 9 -22,-3.4 3,-1.8 -2,-0.9 -48,-0.3 -0.223 25.9-109.4 -68.6 160.6 73.2 20.4 21.6 64 66 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.710 119.6 63.3 -64.0 -17.2 75.0 17.2 22.6 65 67 A E T 3 S+ 0 0 120 -24,-0.2 2,-0.1 2,-0.1 -23,-0.1 0.654 76.4 110.5 -81.2 -15.5 74.0 15.9 19.1 66 68 A A < - 0 0 4 -3,-1.8 -51,-0.2 -25,-0.4 -25,-0.2 -0.408 58.2-151.6 -63.0 129.5 76.1 18.6 17.4 67 69 A Q - 0 0 119 -27,-0.5 21,-0.1 -2,-0.1 -2,-0.1 -0.637 28.1 -83.5 -99.6 157.6 79.1 17.1 15.7 68 70 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 21,-0.2 -0.327 81.6 93.0 -55.3 143.2 82.6 18.7 15.0 69 71 A G E - G 0 88B 27 19,-2.3 19,-3.8 -3,-0.1 2,-0.3 -0.984 65.8 -88.1 164.5-161.2 82.5 20.7 11.8 70 72 A S E + G 0 87B 53 -2,-0.3 2,-0.3 17,-0.3 17,-0.2 -0.968 30.9 178.1-142.7 158.3 82.0 24.2 10.5 71 73 A F E - G 0 86B 5 15,-2.4 15,-3.4 -2,-0.3 2,-0.4 -0.988 30.0-102.9-159.2 150.9 79.0 26.3 9.4 72 74 A D E - G 0 85B 48 -2,-0.3 2,-0.6 13,-0.2 -34,-0.5 -0.637 17.6-157.5 -83.0 131.9 78.2 29.8 8.1 73 75 A I E - G 0 84B 0 11,-2.7 11,-1.9 -2,-0.4 2,-0.5 -0.956 19.3-159.9 -99.7 122.8 76.7 32.4 10.3 74 76 A V E -FG 36 83B 43 -38,-3.1 -38,-1.0 -2,-0.6 2,-0.5 -0.911 7.1-161.0-113.0 126.5 75.0 34.9 7.9 75 77 A F E -FG 35 82B 0 7,-3.4 7,-3.2 -2,-0.5 2,-0.4 -0.927 13.6-174.3-109.0 126.5 74.1 38.4 8.9 76 78 A K E +FG 34 81B 131 -42,-2.7 -42,-2.3 -2,-0.5 2,-0.2 -0.960 20.7 113.4-127.8 140.1 71.6 40.3 6.9 77 79 A G E > + G 0 80B 20 3,-2.4 3,-1.6 -2,-0.4 -44,-0.1 -0.804 61.5 27.1 167.7 149.6 70.2 43.9 6.9 78 80 A D T 3 S- 0 0 99 1,-0.3 3,-0.1 -2,-0.2 -45,-0.0 0.876 124.0 -61.3 52.2 45.7 70.1 47.1 5.0 79 81 A G T 3 S+ 0 0 96 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.293 121.3 94.1 68.7 -11.8 70.4 45.4 1.6 80 82 A R E < - G 0 77B 80 -3,-1.6 -3,-2.4 2,-0.0 2,-0.3 -0.647 56.4-160.3-104.6 167.1 73.8 44.1 2.6 81 83 A S E - G 0 76B 66 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.3 -0.984 0.3-160.5-149.2 136.4 74.8 40.7 4.1 82 84 A E E - G 0 75B 47 -7,-3.2 -7,-3.4 -2,-0.3 2,-0.3 -0.798 7.2-157.5-116.9 161.2 77.9 39.5 6.0 83 85 A R E - G 0 74B 132 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.984 10.7-173.9-140.4 145.1 79.3 36.0 6.7 84 86 A Y E - G 0 73B 60 -11,-1.9 -11,-2.7 -2,-0.3 2,-0.8 -0.982 24.8-133.8-139.6 129.2 81.5 34.2 9.2 85 87 A R E - G 0 72B 122 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.2 -0.742 27.3-158.6 -82.0 108.4 82.7 30.5 8.9 86 88 A Y E - G 0 71B 0 -15,-3.4 -15,-2.4 -2,-0.8 2,-0.5 -0.783 3.0-156.7 -96.4 128.1 82.1 29.1 12.4 87 89 A R E - G 0 70B 156 -2,-0.5 -75,-2.6 -77,-0.4 2,-0.6 -0.868 11.4-162.7-108.0 132.4 84.1 26.0 13.5 88 90 A L E -eG 12 69B 1 -19,-3.8 -19,-2.3 -2,-0.5 -75,-0.3 -0.962 25.1-151.4-105.8 110.4 83.1 23.5 16.2 89 91 A L E -e 13 0B 38 -77,-3.2 -75,-2.5 -2,-0.6 2,-0.3 -0.464 15.2-112.2 -79.6 157.0 86.3 21.6 16.9 90 92 A A - 0 0 62 -77,-0.2 2,-0.3 -2,-0.1 -75,-0.1 -0.695 38.1-117.5 -78.8 138.2 86.6 18.0 18.2 91 93 A R - 0 0 46 -2,-0.3 3,-0.1 -77,-0.3 -1,-0.0 -0.585 27.3-106.7 -78.7 140.1 87.9 17.8 21.7 92 94 A E > - 0 0 157 -2,-0.3 3,-1.8 207,-0.2 4,-0.3 -0.280 50.3 -86.5 -55.6 148.6 91.1 16.1 22.5 93 95 A Q T 3 S+ 0 0 193 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.427 114.9 12.0 -61.9 129.9 90.7 12.7 24.2 94 96 A G T 3 S+ 0 0 50 -2,-0.1 4,-0.3 -3,-0.1 -1,-0.3 0.511 86.3 135.7 81.0 7.6 90.5 13.1 28.0 95 97 A S S X S+ 0 0 9 -3,-1.8 3,-1.5 1,-0.2 -2,-0.1 0.915 71.1 43.8 -52.7 -56.6 90.0 16.9 27.7 96 98 A A T 3 S+ 0 0 32 -4,-0.3 236,-0.5 1,-0.3 -1,-0.2 0.853 115.6 50.8 -60.9 -33.1 87.2 17.3 30.3 97 99 A Q T 3 S+ 0 0 99 233,-0.1 -1,-0.3 234,-0.1 -2,-0.2 0.325 78.8 146.0 -86.3 5.0 89.0 14.9 32.7 98 100 A R < - 0 0 37 -3,-1.5 2,-0.6 -4,-0.3 234,-0.3 -0.108 52.2-119.7 -49.5 135.7 92.4 16.7 32.5 99 101 A Q - 0 0 131 232,-0.1 234,-0.2 234,-0.1 -1,-0.1 -0.690 26.4-145.7 -83.8 121.3 94.2 16.6 35.8 100 102 A G - 0 0 2 232,-2.5 205,-0.2 -2,-0.6 233,-0.1 -0.312 36.9 -75.0 -74.4 167.2 94.9 20.1 37.3 101 103 A F + 0 0 2 203,-1.0 -1,-0.2 233,-0.2 234,-0.1 -0.283 65.7 162.0 -60.5 146.1 98.0 20.9 39.2 102 104 A G > - 0 0 9 -3,-0.1 3,-2.3 232,-0.1 305,-0.1 -0.806 51.7 -52.7-148.9-166.9 98.0 19.5 42.8 103 105 A P T 3 S+ 0 0 35 0, 0.0 340,-0.2 0, 0.0 411,-0.1 0.779 125.8 56.1 -49.9 -31.2 100.0 18.5 45.9 104 106 A G T 3 S+ 0 0 28 409,-0.1 2,-0.1 340,-0.1 405,-0.1 0.570 98.3 83.2 -79.1 -9.9 102.5 16.4 43.9 105 107 A D < - 0 0 34 -3,-2.3 2,-0.4 408,-0.1 55,-0.1 -0.467 61.0-155.6 -90.7 161.0 103.4 19.3 41.6 106 108 A A - 0 0 3 -2,-0.1 55,-2.5 338,-0.1 56,-1.3 -0.985 18.1-142.3-135.5 132.0 105.8 22.2 42.0 107 109 A I E -hi 162 446C 4 338,-2.9 340,-3.1 -2,-0.4 2,-0.5 -0.788 6.1-157.0-102.5 130.8 105.1 25.4 40.1 108 110 A Y E -hi 163 447C 0 54,-2.7 56,-2.6 -2,-0.5 2,-0.4 -0.936 16.1-154.1-103.5 122.9 107.8 27.6 38.5 109 111 A Q E +hi 164 448C 0 338,-3.1 340,-2.9 -2,-0.5 2,-0.3 -0.827 17.4 171.8-102.4 131.9 106.7 31.1 37.9 110 112 A I E -h 165 0C 2 54,-2.0 56,-2.1 -2,-0.4 3,-0.1 -0.926 35.5-133.7-125.0 160.6 108.1 33.5 35.3 111 113 A M >> - 0 0 6 -2,-0.3 3,-2.0 54,-0.2 4,-0.7 -0.988 28.0-143.6-103.5 114.3 107.3 36.9 33.8 112 114 A P H >> S+ 0 0 2 0, 0.0 3,-0.6 0, 0.0 4,-0.6 0.831 97.1 53.1 -53.8 -36.1 107.6 36.1 30.1 113 115 A D H 34 S+ 0 0 0 65,-0.4 30,-2.2 1,-0.2 28,-0.2 0.736 115.6 40.7 -66.3 -22.7 109.1 39.5 29.2 114 116 A R H <4 S+ 0 0 9 -3,-2.0 357,-2.4 28,-0.1 -1,-0.2 0.373 105.5 64.1-110.8 2.7 111.9 39.0 31.9 115 117 A F H << S- 0 0 2 -4,-0.7 2,-0.4 -3,-0.6 356,-0.1 0.936 108.9 -13.0 -93.5 -68.7 112.8 35.4 31.5 116 118 A A < - 0 0 1 -4,-0.6 28,-2.6 28,-0.2 2,-1.1 -0.972 44.2-149.9-148.5 126.4 114.3 34.6 28.0 117 119 A N + 0 0 20 357,-3.0 359,-0.3 -2,-0.4 26,-0.2 -0.773 25.9 166.1 -94.8 90.5 114.5 36.6 24.8 118 120 A G S S+ 0 0 14 -2,-1.1 -1,-0.2 1,-0.3 25,-0.1 0.698 73.6 30.8 -79.8 -21.7 114.6 33.8 22.2 119 121 A D > - 0 0 39 23,-0.4 3,-1.5 -3,-0.1 -1,-0.3 -0.805 58.5-173.3-143.1 96.4 113.9 36.2 19.4 120 122 A P G > S+ 0 0 85 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.740 81.2 74.3 -58.9 -21.1 115.1 39.8 19.5 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S+ 0 0 30 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.907 112.5 50.7 -62.5 -40.6 100.2 29.4 64.9 395 397 A T H >< S+ 0 0 9 -4,-2.1 3,-1.5 -5,-0.3 -2,-0.2 0.949 111.0 48.9 -60.2 -48.2 99.3 30.4 61.4 396 398 A L H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.834 100.4 65.3 -59.4 -31.7 99.5 26.8 60.2 397 399 A S H >< S+ 0 0 1 -4,-1.8 3,-0.6 1,-0.3 -1,-0.3 0.705 91.5 66.1 -66.5 -16.7 97.3 25.7 63.2 398 400 A L G X< + 0 0 4 -3,-1.5 3,-2.4 -4,-0.6 -1,-0.3 0.331 66.4 109.0 -85.6 7.6 94.5 27.8 61.5 399 401 A D G X + 0 0 3 -3,-1.9 3,-1.7 1,-0.3 -1,-0.2 0.704 61.2 74.2 -57.1 -25.3 94.4 25.3 58.6 400 402 A Y G < S+ 0 0 49 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.661 82.9 70.0 -62.0 -18.2 91.1 24.0 59.8 401 403 A L G < S+ 0 0 11 -3,-2.4 -1,-0.3 -47,-0.0 -2,-0.2 0.763 90.9 72.2 -69.3 -22.6 89.6 27.3 58.5 402 404 A Y S < S- 0 0 6 -3,-1.7 4,-0.1 -4,-0.3 -53,-0.1 -0.760 75.1-146.0 -94.6 133.0 90.3 26.0 54.9 403 405 A P S S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.885 100.9 15.4 -57.5 -37.8 88.2 23.2 53.4 404 406 A E > + 0 0 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><5S- 0 0 4 -4,-1.1 3,-1.3 -5,-0.3 -1,-0.3 0.159 123.1-109.1 -91.4 12.7 115.7 36.4 54.4 425 427 A G T < 5 - 0 0 59 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.754 61.0 -71.4 69.5 27.3 118.3 39.2 54.9 426 428 A E T 3 - 0 0 30 -3,-1.3 4,-2.7 -6,-0.4 -1,-0.2 -0.861 35.5-165.0-100.0 105.3 121.3 35.0 55.1 428 430 A F H > S+ 0 0 37 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.880 86.7 51.9 -62.1 -40.6 121.9 31.8 53.1 429 431 A D H > S+ 0 0 57 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.924 113.1 44.0 -65.5 -43.8 121.4 29.5 56.1 430 432 A R H > S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.898 109.6 57.1 -67.0 -35.1 118.0 31.1 56.9 431 433 A W H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.882 101.9 57.1 -58.0 -40.4 117.1 31.0 53.2 432 434 A R H X S+ 0 0 54 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.893 103.1 53.6 -57.6 -40.7 117.7 27.2 53.3 433 435 A M H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.905 108.3 49.3 -62.5 -42.2 115.1 27.0 56.1 434 436 A N H X S+ 0 0 10 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.922 112.5 48.1 -61.1 -43.5 112.6 28.8 53.8 435 437 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.922 111.8 48.1 -64.6 -46.9 113.3 26.5 51.0 436 438 A V H X S+ 0 0 0 -4,-2.9 4,-0.8 2,-0.2 -1,-0.2 0.932 113.0 50.0 -56.2 -48.4 113.0 23.3 53.1 437 439 A F H >X S+ 0 0 2 -4,-2.4 4,-1.9 -5,-0.2 3,-1.0 0.926 109.2 50.8 -54.1 -50.3 109.7 24.7 54.5 438 440 A L H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.907 113.5 45.0 -58.2 -42.5 108.4 25.4 51.0 439 441 A M H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.500 119.6 39.3 -83.0 -5.4 109.2 21.9 49.8 440 442 A T H << S+ 0 0 0 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.530 85.8 105.1-125.1 -13.2 107.8 20.0 52.8 441 443 A M S < S- 0 0 0 -4,-1.9 2,-2.2 -5,-0.2 -31,-0.1 -0.322 85.6-102.8 -64.9 155.1 104.6 21.7 53.9 442 444 A P S S+ 0 0 10 0, 0.0 2,-0.3 0, 0.0 -34,-0.3 -0.512 92.7 92.2 -77.7 75.1 101.2 20.2 53.1 443 445 A R S S- 0 0 4 -2,-2.2 -34,-0.2 69,-0.2 -37,-0.1 -0.915 88.7 -93.9-153.3 168.6 100.8 22.6 50.2 444 446 A I E - l 0 409C 0 -36,-3.0 -34,-2.2 -2,-0.3 2,-0.2 -0.907 49.4-137.1 -91.4 112.1 101.4 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