==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-NOV-03 1V5D . COMPND 2 MOLECULE: CHITOSANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR W.ADACHI,S.SHIMIZU,T.SUNAMI,T.FUKAZAWA,M.SUZUKI,R.YATSUNAMI, . 772 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 44 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.6 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 2 0 0 0 2 1 5 2 2 4 0 0 1 3 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 12 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 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 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 49 A A 0 0 79 0, 0.0 86,-0.0 0, 0.0 93,-0.0 0.000 360.0 360.0 360.0 158.2 22.8 9.8 41.3 2 50 A K + 0 0 194 1,-0.2 2,-0.1 86,-0.1 0, 0.0 0.773 360.0 178.0 59.4 30.0 21.9 8.9 37.7 3 51 A E - 0 0 39 1,-0.2 -1,-0.2 2,-0.1 148,-0.2 -0.398 23.2-165.5 -63.5 136.3 19.8 12.1 37.3 4 52 A M S S+ 0 0 108 146,-2.2 -1,-0.2 1,-0.2 146,-0.1 0.571 92.5 35.2 -97.3 -13.2 18.3 12.4 33.8 5 53 A K S S- 0 0 55 145,-0.3 -1,-0.2 377,-0.0 4,-0.2 -0.423 87.5-177.9-134.2 55.7 17.5 16.1 34.5 6 54 A P - 0 0 49 0, 0.0 82,-0.3 0, 0.0 80,-0.1 -0.250 36.7 -70.3 -61.5 141.8 20.4 17.2 36.7 7 55 A F S S+ 0 0 12 80,-2.6 79,-0.1 1,-0.2 -4,-0.0 -0.518 114.3 44.9 -68.1 137.6 20.5 20.7 38.0 8 56 A P + 0 0 37 0, 0.0 -1,-0.2 0, 0.0 372,-0.1 0.430 55.1 155.5 -98.6 132.3 21.0 23.1 36.3 9 57 A Q - 0 0 60 371,-0.2 371,-0.2 -4,-0.2 -2,-0.1 0.735 25.4-172.5 -83.1 -22.3 18.7 22.4 33.3 10 58 A Q - 0 0 73 1,-0.1 370,-0.2 14,-0.1 369,-0.2 0.788 14.3-173.1 29.7 59.0 18.6 26.2 32.6 11 59 A V - 0 0 39 368,-2.9 2,-0.6 1,-0.1 -1,-0.1 -0.331 24.4-134.9 -78.3 158.2 16.0 25.9 29.9 12 60 A N - 0 0 134 -2,-0.1 2,-0.1 367,-0.0 3,-0.1 -0.877 20.8-155.1-115.6 96.7 14.8 28.7 27.6 13 61 A Y > - 0 0 32 -2,-0.6 3,-1.5 1,-0.1 272,-0.1 -0.448 30.8 -97.1 -71.8 143.1 11.0 28.6 27.4 14 62 A A T 3 S+ 0 0 85 270,-0.3 273,-0.1 1,-0.2 -1,-0.1 -0.341 104.2 10.6 -61.9 135.4 9.5 30.1 24.3 15 63 A G T 3 S+ 0 0 46 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.583 104.5 108.8 74.9 11.5 8.3 33.7 24.7 16 64 A V < - 0 0 31 -3,-1.5 2,-0.3 268,-0.1 326,-0.2 -0.930 52.8-147.4-124.9 148.1 9.9 34.3 28.1 17 65 A I - 0 0 27 324,-2.3 326,-0.1 -2,-0.4 -4,-0.0 -0.750 5.9-154.6-108.4 156.9 12.8 36.3 29.3 18 66 A K - 0 0 30 -2,-0.3 2,-0.1 360,-0.1 360,-0.1 -0.771 47.5 -73.5-119.9 165.6 15.2 35.7 32.2 19 67 A P - 0 0 5 0, 0.0 3,-0.2 0, 0.0 8,-0.1 -0.474 52.4-173.2 -60.1 130.6 17.2 38.3 34.1 20 68 A N + 0 0 101 327,-0.2 4,-0.1 1,-0.1 328,-0.1 0.239 62.3 82.1-116.5 15.2 19.8 39.3 31.5 21 69 A H S S+ 0 0 78 2,-0.1 2,-0.3 327,-0.0 -1,-0.1 0.404 97.7 42.9 -96.2 0.2 22.2 41.6 33.4 22 70 A V S S- 0 0 42 -3,-0.2 2,-0.0 1,-0.0 329,-0.0 -0.914 94.1 -95.1-137.9 163.0 24.1 38.6 34.9 23 71 A T > - 0 0 81 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.294 31.6-114.3 -76.0 164.3 25.3 35.2 33.4 24 72 A Q H > S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.847 120.3 59.4 -65.9 -32.4 23.3 32.0 33.6 25 73 A E H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 104.4 49.4 -62.2 -38.6 26.1 30.8 35.9 26 74 A S H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.910 110.6 49.9 -66.3 -42.0 25.3 33.6 38.2 27 75 A L H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.944 112.9 46.6 -61.0 -47.4 21.6 32.7 38.2 28 76 A N H X S+ 0 0 5 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.887 110.6 52.5 -62.1 -41.2 22.5 29.1 38.9 29 77 A A H X S+ 0 0 49 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.893 107.4 52.1 -63.0 -41.1 24.9 30.1 41.7 30 78 A S H X S+ 0 0 12 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.899 111.1 47.8 -62.4 -40.1 22.3 32.2 43.4 31 79 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.926 111.0 50.2 -67.3 -44.3 19.8 29.3 43.3 32 80 A R H X S+ 0 0 74 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.928 113.7 45.6 -58.6 -47.0 22.4 26.9 44.7 33 81 A S H X S+ 0 0 57 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.908 113.1 49.1 -63.3 -43.7 23.2 29.2 47.6 34 82 A Y H X S+ 0 0 7 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.907 110.8 51.4 -64.3 -40.8 19.6 30.0 48.3 35 83 A Y H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.925 107.1 52.4 -61.8 -46.6 18.8 26.2 48.4 36 84 A D H X S+ 0 0 63 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.901 113.2 44.5 -58.6 -40.4 21.6 25.4 50.8 37 85 A N H X S+ 0 0 44 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.911 113.3 50.7 -69.7 -41.8 20.4 28.1 53.2 38 86 A W H X>S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 5,-0.6 0.918 112.6 46.5 -61.1 -45.0 16.7 27.0 52.8 39 87 A K H X5S+ 0 0 57 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.917 110.1 53.4 -64.3 -43.9 17.6 23.4 53.5 40 88 A K H <5S+ 0 0 172 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.875 120.5 31.9 -60.1 -38.3 19.8 24.3 56.5 41 89 A K H <5S+ 0 0 105 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.827 133.2 21.6 -92.0 -32.7 16.9 26.2 58.1 42 90 A Y H <5S+ 0 0 8 -4,-3.0 15,-2.9 -5,-0.2 2,-0.6 0.696 91.3 93.6-113.3 -22.9 13.8 24.4 57.0 43 91 A L E << -A 56 0A 19 -4,-1.3 2,-0.3 -5,-0.6 13,-0.2 -0.650 56.2-177.9 -78.6 120.3 14.5 20.8 55.9 44 92 A K E +A 55 0A 57 11,-2.8 11,-2.0 -2,-0.6 3,-0.0 -0.849 31.0 169.3-120.8 155.2 13.9 18.6 58.9 45 93 A N + 0 0 87 -2,-0.3 7,-0.4 9,-0.2 8,-0.1 -0.065 47.8 111.9-152.4 37.9 14.2 14.8 59.6 46 94 A D + 0 0 95 5,-0.1 2,-0.8 6,-0.1 3,-0.1 -0.134 31.1 138.7-108.8 35.4 13.8 14.7 63.4 47 95 A L > - 0 0 5 6,-0.5 3,-1.4 3,-0.4 6,-0.3 -0.725 34.6-166.6 -84.9 111.9 10.5 12.9 63.8 48 96 A S T 3 S+ 0 0 107 -2,-0.8 -1,-0.2 1,-0.3 74,-0.0 0.828 91.9 55.3 -64.3 -29.3 10.8 10.4 66.6 49 97 A S T 3 S+ 0 0 11 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.501 120.1 29.1 -81.4 -5.1 7.5 8.9 65.4 50 98 A L S X S- 0 0 14 -3,-1.4 3,-2.2 3,-0.1 -3,-0.4 -0.431 76.6-159.7-155.8 73.7 9.0 8.4 61.9 51 99 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -5,-0.1 -0.285 83.2 21.4 -56.1 134.9 12.7 7.8 61.6 52 100 A G T 3 S+ 0 0 48 -7,-0.4 2,-0.2 1,-0.3 50,-0.2 0.280 96.3 123.8 89.7 -12.4 14.0 8.6 58.1 53 101 A G < - 0 0 0 -3,-2.2 -6,-0.5 -6,-0.3 -1,-0.3 -0.557 45.7-155.1 -83.4 148.6 11.0 10.8 57.3 54 102 A Y + 0 0 37 45,-1.7 2,-0.3 -2,-0.2 -9,-0.2 -0.855 17.0 165.2-121.2 157.6 11.5 14.4 56.2 55 103 A Y E -A 44 0A 5 -11,-2.0 -11,-2.8 -2,-0.3 2,-0.5 -0.929 36.4-103.5-157.0 174.4 9.3 17.4 56.4 56 104 A V E -A 43 0A 1 -2,-0.3 2,-0.5 16,-0.3 16,-0.4 -0.950 34.2-121.0-114.0 125.5 9.5 21.2 56.1 57 105 A K - 0 0 54 -15,-2.9 14,-0.2 -2,-0.5 3,-0.1 -0.498 34.3-168.1 -69.6 114.5 9.5 23.4 59.2 58 106 A G - 0 0 17 12,-2.2 3,-0.1 -2,-0.5 -1,-0.1 -0.178 33.0 -63.6 -91.0-173.8 6.7 25.9 59.1 59 107 A E - 0 0 102 1,-0.1 -1,-0.2 -2,-0.1 2,-0.2 -0.283 61.9 -89.5 -69.2 156.1 5.9 28.9 61.2 60 108 A I + 0 0 157 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.483 63.2 166.1 -65.4 131.2 5.2 28.6 64.9 61 109 A T - 0 0 93 8,-0.3 3,-0.1 -2,-0.2 2,-0.0 -0.894 36.4 -80.3-143.3 173.0 1.4 28.0 65.3 62 110 A G - 0 0 47 -2,-0.3 5,-0.1 1,-0.1 -1,-0.0 -0.288 59.1 -81.9 -73.8 161.5 -1.2 27.0 67.7 63 111 A D - 0 0 111 5,-0.1 2,-0.4 3,-0.1 5,-0.2 -0.159 35.6-147.9 -60.1 155.7 -2.0 23.4 68.6 64 112 A A B > S-B 67 0B 17 3,-2.7 3,-1.8 -3,-0.1 -1,-0.1 -0.942 76.5 -24.8-131.6 108.0 -4.3 21.3 66.2 65 113 A D T 3 S- 0 0 121 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.863 127.7 -49.8 57.0 37.8 -6.4 18.7 67.9 66 114 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.393 118.0 113.5 84.4 -4.3 -3.9 18.5 70.8 67 115 A F B < -B 64 0B 31 -3,-1.8 -3,-2.7 -5,-0.1 -1,-0.3 -0.691 67.8-126.1-101.3 154.7 -0.9 18.1 68.4 68 116 A K - 0 0 156 -2,-0.3 54,-0.5 -5,-0.2 2,-0.2 -0.873 28.3-134.1-100.3 107.3 1.9 20.6 67.9 69 117 A P + 0 0 19 0, 0.0 -8,-0.3 0, 0.0 52,-0.2 -0.438 30.8 170.8 -64.8 125.4 2.1 21.3 64.1 70 118 A L - 0 0 42 50,-3.2 -12,-2.2 1,-0.4 2,-0.3 0.698 68.4 -12.8-103.4 -29.4 5.7 21.2 62.9 71 119 A G E -C 120 0C 2 49,-1.4 49,-2.9 -14,-0.2 -1,-0.4 -0.938 63.6-131.1-159.6 175.2 5.0 21.4 59.2 72 120 A T E > -C 119 0C 31 -16,-0.4 4,-2.2 -2,-0.3 -16,-0.3 -0.853 31.9-106.8-133.2 169.2 2.1 21.1 56.7 73 121 A S H > S+ 0 0 2 45,-1.4 4,-2.4 -2,-0.3 5,-0.2 0.811 119.2 62.3 -66.0 -27.5 1.3 19.3 53.4 74 122 A E H > S+ 0 0 35 44,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.959 108.9 39.7 -59.4 -51.4 1.7 22.7 51.8 75 123 A G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.854 111.0 58.6 -66.7 -35.7 5.3 22.9 52.9 76 124 A Q H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.914 107.2 48.5 -59.6 -42.8 5.8 19.2 52.1 77 125 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.912 111.2 48.1 -64.9 -44.1 4.8 19.9 48.5 78 126 A Y H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.944 113.1 49.2 -61.3 -47.3 7.2 22.8 48.2 79 127 A G H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.864 109.1 51.8 -61.1 -38.1 10.0 20.8 49.7 80 128 A M H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.889 112.0 44.9 -69.1 -38.0 9.4 17.8 47.4 81 129 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.953 114.5 49.3 -68.7 -48.3 9.4 19.9 44.2 82 130 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.916 110.0 52.4 -54.9 -46.7 12.5 21.8 45.3 83 131 A T H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.906 109.4 46.3 -60.7 -45.3 14.3 18.6 46.2 84 132 A V H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.916 112.5 51.4 -65.4 -40.2 13.8 16.9 42.8 85 133 A L H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.807 108.1 51.8 -66.7 -29.3 14.9 20.0 41.0 86 134 A M T >X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 3,-2.1 0.455 80.8 119.0 -87.1 0.0 18.1 20.3 43.0 87 135 A A B <4 +d 90 0D 0 -3,-1.2 -80,-2.6 -4,-0.4 4,-0.1 -0.418 67.9 43.2 -63.4 140.9 19.0 16.7 42.2 88 136 A G T 34 S+ 0 0 40 2,-0.6 -1,-0.3 -82,-0.3 3,-0.1 -0.032 119.9 47.2 107.7 -29.3 22.3 16.7 40.4 89 137 A Y T <4 S+ 0 0 84 -3,-2.1 2,-0.8 1,-0.3 -2,-0.2 0.767 108.0 53.0-104.7 -53.1 23.6 19.4 42.8 90 138 A D B >< S-d 87 0D 13 -4,-2.4 3,-1.9 -7,-0.2 -2,-0.6 -0.784 72.4-158.4 -87.9 110.0 22.6 17.9 46.1 91 139 A S T 3 S+ 0 0 101 -2,-0.8 3,-0.2 1,-0.3 4,-0.2 0.677 91.6 52.3 -63.3 -17.0 24.0 14.3 46.1 92 140 A N T 3> S+ 0 0 82 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.260 75.0 114.4-102.6 12.8 21.5 13.3 48.7 93 141 A A H <> S+ 0 0 0 -3,-1.9 4,-3.1 1,-0.2 5,-0.2 0.871 75.7 46.3 -49.7 -50.5 18.4 14.5 46.8 94 142 A Q H > S+ 0 0 60 -3,-0.2 4,-2.8 -4,-0.2 -1,-0.2 0.881 112.4 50.4 -65.9 -37.0 16.8 11.2 46.1 95 143 A K H > S+ 0 0 145 2,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.942 114.1 45.2 -64.4 -45.8 17.3 10.0 49.7 96 144 A I H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.937 113.3 50.9 -61.8 -46.4 15.7 13.3 51.0 97 145 A Y H X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.928 109.7 48.2 -58.9 -47.6 12.9 13.0 48.4 98 146 A D H X S+ 0 0 38 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.840 111.4 52.7 -63.0 -30.5 12.0 9.4 49.3 99 147 A G H X S+ 0 0 5 -4,-1.8 4,-1.8 2,-0.2 -45,-1.7 0.856 108.4 49.1 -71.7 -35.7 12.1 10.5 53.0 100 148 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -47,-0.2 -2,-0.2 0.882 111.8 49.7 -69.4 -37.8 9.7 13.4 52.2 101 149 A F H X S+ 0 0 17 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.888 105.7 57.0 -67.0 -39.1 7.4 10.9 50.3 102 150 A K H X S+ 0 0 94 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.931 109.9 44.9 -57.1 -46.2 7.6 8.5 53.3 103 151 A T H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.930 109.9 55.5 -64.0 -44.4 6.2 11.3 55.5 104 152 A A H < S+ 0 0 1 -4,-2.3 13,-0.3 1,-0.2 -2,-0.2 0.872 115.6 36.9 -56.9 -40.9 3.6 12.2 53.0 105 153 A R H >< S+ 0 0 66 -4,-2.3 3,-0.8 1,-0.1 -1,-0.2 0.786 115.5 52.5 -84.5 -29.2 2.2 8.7 52.8 106 154 A T H 3< S+ 0 0 42 -4,-2.3 2,-0.8 1,-0.3 -2,-0.2 0.907 110.2 49.4 -71.4 -41.9 2.6 7.9 56.5 107 155 A F T 3< S+ 0 0 2 -4,-2.8 10,-3.1 -5,-0.2 -1,-0.3 -0.302 89.8 165.5 -90.1 49.0 0.7 11.0 57.5 108 156 A K B < -E 116 0E 97 -2,-0.8 20,-0.3 -3,-0.8 8,-0.3 -0.192 44.0 -85.8 -64.5 159.1 -2.0 10.1 55.0 109 157 A S - 0 0 4 6,-2.6 22,-0.3 3,-0.6 -1,-0.1 -0.372 21.6-138.1 -69.0 144.8 -5.4 11.8 55.1 110 158 A S S S+ 0 0 67 20,-2.0 21,-0.2 -3,-0.1 -1,-0.1 0.616 103.7 40.8 -74.9 -14.3 -8.1 10.6 57.5 111 159 A Q S S+ 0 0 117 19,-0.3 20,-0.1 1,-0.3 76,-0.0 0.841 127.7 17.6 -95.5 -82.2 -10.6 11.1 54.7 112 160 A N > - 0 0 16 1,-0.1 3,-2.2 4,-0.1 -3,-0.6 -0.846 69.4-156.5 -96.1 108.3 -9.1 10.0 51.4 113 161 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 57,-0.1 0.596 88.4 69.1 -59.8 -11.9 -6.1 7.8 52.2 114 162 A N T 3 S+ 0 0 47 55,-0.2 2,-0.2 -6,-0.1 56,-0.2 0.521 98.5 61.5 -84.4 -5.7 -4.5 8.5 48.8 115 163 A L S < S- 0 0 0 -3,-2.2 -6,-2.6 55,-0.1 2,-0.4 -0.608 89.7-102.6-113.2 174.4 -3.9 12.1 50.0 116 164 A M B -E 108 0E 2 -8,-0.3 17,-0.5 -2,-0.2 -8,-0.3 -0.815 28.5-118.3-103.6 138.9 -1.8 13.6 52.8 117 165 A G - 0 0 2 -10,-3.1 15,-0.3 -2,-0.4 14,-0.2 -0.498 30.4-122.6 -67.3 143.9 -3.2 14.9 56.0 118 166 A W S S+ 0 0 106 13,-3.1 -45,-1.4 -2,-0.1 2,-0.5 0.654 86.6 67.7 -68.5 -15.8 -2.4 18.7 56.2 119 167 A V E -C 72 0C 1 -47,-0.2 2,-0.6 12,-0.2 -47,-0.2 -0.902 59.1-160.3-114.3 131.4 -0.5 18.6 59.5 120 168 A V E +C 71 0C 0 -49,-2.9 -50,-3.2 -2,-0.5 -49,-1.4 -0.930 26.1 162.5-104.1 118.7 2.8 17.0 60.3 121 169 A A - 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0 0 16 -3,-1.0 3,-2.2 1,-0.1 -1,-0.1 -0.976 68.4-150.9-126.5 120.1 38.1 96.8 32.8 731 392 B S G > S+ 0 0 95 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.744 94.1 70.5 -58.5 -25.3 41.7 98.1 32.1 732 393 B N G 3 S+ 0 0 130 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.535 87.9 66.3 -71.3 -4.1 40.8 101.4 33.8 733 394 B N G <> + 0 0 8 -3,-2.2 4,-2.8 -6,-0.2 -1,-0.3 0.262 66.4 113.2 -98.1 11.9 40.7 99.5 37.1 734 395 B Q H <> S+ 0 0 38 -3,-1.5 4,-2.5 1,-0.2 -327,-0.2 0.880 75.1 47.8 -50.6 -49.5 44.5 98.8 37.0 735 396 B K H > S+ 0 0 159 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.915 113.9 47.6 -60.7 -43.9 45.4 101.0 40.0 736 397 B W H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.906 111.6 50.4 -63.7 -42.9 42.6 99.5 42.1 737 398 B V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.907 111.1 49.4 -62.7 -41.1 43.6 95.9 41.1 738 399 B N H X S+ 0 0 22 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.916 112.5 46.4 -64.5 -43.2 47.2 96.7 42.0 739 400 B S H X S+ 0 0 34 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.890 111.8 52.5 -66.0 -39.4 46.2 98.1 45.4 740 401 B G H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.898 107.6 51.7 -62.8 -40.7 44.0 95.1 46.0 741 402 B W H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.929 107.7 51.3 -61.7 -46.3 46.8 92.8 45.2 742 403 B D H < S+ 0 0 84 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.878 111.8 48.9 -59.3 -36.5 49.1 94.5 47.7 743 404 B W H < S+ 0 0 48 -4,-1.8 3,-0.2 1,-0.1 -2,-0.2 0.904 120.6 32.9 -70.4 -41.9 46.4 94.2 50.3 744 405 B M H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.785 92.5 86.3 -88.0 -30.2 45.6 90.5 49.8 745 406 B K T 3< S+ 0 0 38 -4,-2.8 -1,-0.2 1,-0.3 -3,-0.1 0.740 110.6 16.7 -45.3 -36.9 49.0 88.9 48.8 746 407 B N T 3 S+ 0 0 90 -4,-0.4 2,-0.7 -3,-0.2 -1,-0.3 0.136 90.3 133.9-124.0 19.0 50.2 88.3 52.4 747 408 B K < + 0 0 71 -3,-1.8 2,-0.4 6,-0.1 10,-0.1 -0.614 27.1 174.0 -79.2 111.5 46.9 88.6 54.3 748 409 B R + 0 0 112 -2,-0.7 3,-0.1 1,-0.1 -2,-0.0 -0.957 20.6 128.4-119.6 134.7 46.4 85.8 56.8 749 410 B E - 0 0 63 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.432 64.7 -33.0-145.8 -60.1 43.6 85.6 59.3 750 411 B R > - 0 0 42 1,-0.1 4,-2.6 -304,-0.0 5,-0.4 -0.950 67.3 -73.0-161.8 179.6 41.6 82.3 59.4 751 412 B Y H > S+ 0 0 14 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.899 119.7 44.9 -48.9 -56.4 40.2 79.3 57.4 752 413 B F H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.952 120.7 35.4 -61.2 -55.2 37.4 81.1 55.5 753 414 B S H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 118.8 50.9 -68.5 -40.0 39.2 84.2 54.4 754 415 B D H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.920 112.0 47.1 -63.4 -44.9 42.5 82.5 53.8 755 416 B S H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.4 -1,-0.2 0.937 116.7 41.4 -64.3 -47.4 41.1 79.7 51.7 756 417 B Y H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.836 112.3 57.2 -71.2 -28.8 38.9 81.9 49.5 757 418 B N H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.933 106.6 48.6 -65.2 -44.3 41.8 84.4 49.3 758 419 B L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.916 111.2 50.0 -62.3 -42.9 44.1 81.7 47.9 759 420 B L H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.920 113.5 46.5 -60.5 -42.6 41.5 80.7 45.3 760 421 B T H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.914 112.0 49.9 -66.4 -42.6 41.1 84.3 44.3 761 422 B M H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 6,-0.3 0.892 108.4 53.6 -62.9 -40.6 44.9 84.9 44.1 762 423 B L H <>S+ 0 0 0 -4,-2.7 5,-1.9 -5,-0.2 6,-0.7 0.918 113.7 43.4 -61.0 -41.6 45.2 81.8 42.0 763 424 B F H ><5S+ 0 0 4 -4,-1.9 3,-1.6 4,-0.2 5,-0.3 0.946 112.0 48.6 -72.9 -46.4 42.6 83.1 39.6 764 425 B I H 3<5S+ 0 0 3 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.625 109.6 53.9 -71.5 -10.1 43.7 86.8 39.3 765 426 B T T 3<5S- 0 0 0 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.369 118.1-111.7 -99.3 2.0 47.4 85.7 38.7 766 427 B G T < 5S+ 0 0 3 -3,-1.6 -368,-3.3 -369,-0.2 -3,-0.2 0.596 86.2 119.2 79.8 13.1 46.2 83.5 35.8 767 428 B N < + 0 0 1 -5,-1.9 2,-0.8 -6,-0.3 -4,-0.2 0.393 50.9 81.6 -93.8 5.2 47.1 80.3 37.6 768 429 B W S S- 0 0 0 -6,-0.7 -1,-0.1 -5,-0.3 -2,-0.1 -0.894 73.8-166.3-107.9 96.1 43.6 78.9 37.7 769 430 B W - 0 0 4 -2,-0.8 -2,-0.1 -377,-0.1 -97,-0.1 -0.305 21.9-100.7 -81.7 168.1 43.5 77.4 34.2 770 431 B K - 0 0 65 -2,-0.1 2,-0.4 -98,-0.1 -1,-0.1 -0.787 25.9-139.7 -96.4 121.0 40.4 76.2 32.2 771 432 B P - 0 0 0 0, 0.0 -238,-0.1 0, 0.0 -239,-0.0 -0.663 27.6-179.6 -79.7 127.7 39.7 72.4 32.0 772 433 B V 0 0 56 -2,-0.4 -178,-0.0 1,-0.1 -174,-0.0 -0.977 360.0 360.0-131.0 144.3 38.5 71.4 28.5 773 434 B P 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -175,-0.0 0.881 360.0 360.0 -51.8 360.0 37.5 68.1 27.1