==== 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 06-APR-09 3GZA . COMPND 2 MOLECULE: PUTATIVE ALPHA-L-FUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 869 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 566 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 6 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 . 57 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.6 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 0 4 4 0 4 0 0 2 0 0 0 0 0 2 0 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 2 5 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 PARALLEL BRIDGES PER LADDER . 7 5 0 2 0 2 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 2 0 2 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 23 A E 0 0 127 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.3 33.9 86.6 35.2 2 24 A L - 0 0 52 1,-0.1 2,-0.1 372,-0.1 256,-0.1 -0.386 360.0-103.7 -68.4 145.3 36.6 84.4 33.6 3 25 A P + 0 0 22 0, 0.0 373,-0.4 0, 0.0 256,-0.1 -0.482 49.2 177.0 -64.8 142.4 39.8 83.7 35.5 4 26 A V - 0 0 68 371,-0.1 256,-0.2 -2,-0.1 369,-0.1 -0.938 34.0 -87.2-140.5 160.1 42.7 85.9 34.1 5 27 A P - 0 0 10 0, 0.0 256,-0.0 0, 0.0 5,-0.0 -0.371 42.8-113.6 -64.3 150.8 46.3 86.5 35.0 6 28 A K >> - 0 0 78 254,-0.2 3,-2.2 1,-0.1 4,-0.7 -0.499 39.5-100.5 -73.0 157.3 47.2 89.1 37.5 7 29 A P G >4 S+ 0 0 110 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.877 123.7 53.1 -49.5 -39.3 49.1 92.0 35.9 8 30 A H G 34 S+ 0 0 18 1,-0.3 4,-0.2 2,-0.2 3,-0.1 0.600 100.5 63.0 -77.3 -7.2 52.4 90.6 37.2 9 31 A Q G X> S+ 0 0 5 -3,-2.2 4,-1.4 1,-0.2 3,-1.1 0.622 81.0 80.7 -87.8 -12.4 51.8 87.2 35.7 10 32 A L H S+ 0 0 35 -4,-0.4 4,-1.2 1,-0.2 -1,-0.3 0.694 100.8 60.7 -67.8 -19.9 55.5 88.6 32.0 12 34 A W H <> S+ 0 0 1 -3,-1.1 4,-1.0 2,-0.2 -1,-0.2 0.956 111.4 36.7 -67.1 -56.0 55.5 84.9 32.9 13 35 A H H < S+ 0 0 4 -4,-1.4 3,-0.4 1,-0.2 -2,-0.2 0.912 117.4 52.2 -62.4 -46.4 53.5 83.9 29.8 14 36 A E H < S+ 0 0 111 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.776 100.2 61.2 -65.3 -30.5 55.3 86.5 27.5 15 37 A A H < S- 0 0 6 -4,-1.2 2,-2.0 -5,-0.2 -1,-0.2 0.893 72.4-178.7 -62.0 -42.5 58.8 85.4 28.4 16 38 A E < + 0 0 33 -4,-1.0 292,-2.6 -3,-0.4 2,-0.3 -0.119 62.4 38.4 69.1 -41.5 58.3 81.9 27.1 17 39 A X E +a 308 0A 6 -2,-2.0 52,-3.0 50,-0.3 53,-0.5 -0.998 61.7 159.0-141.9 146.3 61.8 80.8 28.0 18 40 A G E -ab 309 70A 0 290,-2.5 292,-2.6 -2,-0.3 2,-0.3 -0.908 26.3-124.3-150.0 176.9 64.2 81.4 30.9 19 41 A A E -ab 310 71A 0 51,-1.8 53,-2.5 -2,-0.3 2,-0.4 -0.965 6.1-156.9-130.4 146.8 67.2 79.9 32.5 20 42 A V E -ab 311 72A 0 290,-2.6 292,-3.0 -2,-0.3 2,-0.6 -0.981 12.1-154.9-119.1 133.1 68.1 78.7 36.1 21 43 A F E -ab 312 73A 0 51,-2.9 53,-2.0 -2,-0.4 2,-0.5 -0.960 5.7-158.7-110.8 112.9 71.8 78.6 37.0 22 44 A H + 0 0 8 290,-1.4 258,-0.4 -2,-0.6 2,-0.3 -0.844 22.4 159.2 -92.4 129.9 72.7 76.2 39.8 23 45 A Y + 0 0 2 -2,-0.5 2,-0.3 51,-0.2 60,-0.1 -0.957 3.9 142.0-153.6 128.1 76.0 76.9 41.7 24 46 A D > - 0 0 2 -2,-0.3 3,-1.8 53,-0.1 4,-0.3 -0.926 62.2 -79.0-157.2 177.4 77.1 75.8 45.1 25 47 A L G > S+ 0 0 0 1,-0.3 3,-1.7 -2,-0.3 4,-0.0 0.797 117.6 63.9 -59.0 -35.9 80.3 74.6 46.8 26 48 A H G > S+ 0 0 8 1,-0.3 3,-1.4 2,-0.2 5,-0.4 0.605 81.2 79.7 -69.7 -12.8 80.3 71.0 45.6 27 49 A V G < S+ 0 0 3 -3,-1.8 3,-0.4 1,-0.2 -1,-0.3 0.817 96.7 48.7 -58.3 -22.9 80.7 72.2 42.0 28 50 A F G < S+ 0 0 26 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.322 85.0 91.5-101.5 8.7 84.4 72.6 42.9 29 51 A D S < S- 0 0 64 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.1 0.395 90.0-123.6 -89.1 -0.2 84.9 69.2 44.6 30 52 A G S S+ 0 0 55 -3,-0.4 2,-0.3 1,-0.2 -3,-0.1 0.530 77.9 84.3 72.4 10.0 86.1 67.3 41.5 31 53 A I S S- 0 0 111 -5,-0.4 -2,-0.2 1,-0.1 -1,-0.2 -0.873 84.6 -77.1-136.8 169.2 83.4 64.6 41.7 32 54 A R - 0 0 141 -2,-0.3 2,-0.3 249,-0.1 -1,-0.1 -0.231 51.4-101.1 -65.6 156.5 79.9 63.9 40.6 33 55 A Y - 0 0 45 246,-0.1 2,-0.5 4,-0.0 -1,-0.1 -0.622 31.3-171.6 -78.4 129.7 76.9 65.4 42.5 34 56 A G > - 0 0 38 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.951 5.2-165.2-124.6 105.2 75.1 63.0 44.9 35 57 A Q H > S+ 0 0 83 -2,-0.5 4,-2.1 2,-0.2 5,-0.2 0.920 86.0 49.6 -61.2 -45.8 72.0 64.8 46.1 36 58 A G H > S+ 0 0 52 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.931 116.5 42.8 -58.7 -46.2 71.2 62.5 49.0 37 59 A N H >> S+ 0 0 104 1,-0.2 3,-0.9 2,-0.2 4,-0.9 0.916 111.5 54.0 -66.4 -47.1 74.8 62.8 50.3 38 60 A N H 3< S+ 0 0 9 -4,-3.0 3,-0.4 1,-0.2 -1,-0.2 0.841 103.3 56.4 -59.0 -38.5 75.1 66.5 49.7 39 61 A R H 3< S+ 0 0 47 -4,-2.1 -1,-0.2 1,-0.2 90,-0.2 0.781 119.4 30.5 -66.5 -23.8 72.0 67.3 51.8 40 62 A I H << S+ 0 0 33 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.297 106.0 71.8-124.5 12.8 73.3 65.5 54.9 41 63 A N S < S- 0 0 50 -4,-0.9 -1,-0.1 -3,-0.4 90,-0.1 -0.905 77.0-137.6-130.1 96.9 77.2 65.9 54.7 42 64 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 38,-0.1 -0.209 36.3 -88.9 -55.4 151.2 78.3 69.4 55.4 43 65 A I - 0 0 19 36,-0.2 3,-0.3 1,-0.1 -5,-0.0 -0.367 30.4-148.9 -65.3 130.2 81.1 70.7 53.1 44 66 A E S S+ 0 0 84 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.886 83.0 10.6 -68.0 -41.9 84.6 69.9 54.5 45 67 A D > - 0 0 74 1,-0.1 3,-1.2 -20,-0.0 -1,-0.3 -0.892 56.4-168.1-145.0 108.4 86.4 73.0 53.0 46 68 A Y G > S+ 0 0 8 -2,-0.4 3,-1.9 -3,-0.3 -1,-0.1 0.651 78.4 81.5 -72.7 -12.0 84.5 75.8 51.6 47 69 A N G 3 + 0 0 29 1,-0.3 -1,-0.2 479,-0.3 480,-0.0 0.453 66.8 84.4 -75.3 4.1 87.7 77.3 50.1 48 70 A I G < + 0 0 57 -3,-1.2 2,-1.1 1,-0.1 -1,-0.3 0.734 69.1 97.8 -67.1 -19.2 87.4 74.9 47.2 49 71 A F < + 0 0 1 -3,-1.9 49,-0.5 -4,-0.1 48,-0.1 -0.587 44.1 133.1 -72.7 104.6 85.1 77.7 46.0 50 72 A N + 0 0 84 -2,-1.1 2,-1.8 266,-0.2 -1,-0.1 -0.418 24.3 173.9-155.1 64.7 87.5 79.7 43.7 51 73 A P > + 0 0 1 0, 0.0 3,-1.8 0, 0.0 266,-0.2 -0.547 8.9 176.8 -78.4 84.4 86.0 80.6 40.2 52 74 A T T 3 S+ 0 0 106 -2,-1.8 266,-0.1 264,-0.3 265,-0.1 0.635 76.9 45.6 -69.9 -13.1 88.9 82.7 39.1 53 75 A E T 3 S+ 0 0 113 264,-2.2 -1,-0.3 263,-0.1 265,-0.2 0.107 80.3 157.8-112.1 20.7 87.4 83.4 35.6 54 76 A L < + 0 0 15 -3,-1.8 2,-0.2 262,-0.1 265,-0.2 -0.156 6.5 162.9 -51.1 130.6 83.9 84.2 36.9 55 77 A N >> - 0 0 70 263,-1.9 4,-1.2 1,-0.1 3,-1.0 -0.713 19.6-176.7-151.5 93.3 82.0 86.3 34.4 56 78 A T H 3> S+ 0 0 5 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.754 85.1 67.9 -66.6 -18.5 78.2 86.4 34.9 57 79 A D H 3> S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.891 100.4 50.3 -60.8 -42.8 77.9 88.5 31.7 58 80 A Q H <> S+ 0 0 45 -3,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.877 109.2 51.2 -62.6 -38.4 79.0 85.3 29.8 59 81 A W H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.943 112.5 45.0 -60.9 -49.5 76.4 83.3 31.6 60 82 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.903 112.6 50.2 -66.8 -41.7 73.6 85.8 30.7 61 83 A Q H X S+ 0 0 93 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.888 108.1 54.0 -64.9 -35.4 74.7 86.1 27.1 62 84 A A H < S+ 0 0 8 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.942 112.8 42.7 -63.7 -43.5 74.8 82.3 26.8 63 85 A A H >X>S+ 0 0 0 -4,-2.0 5,-1.8 1,-0.2 3,-1.4 0.887 110.2 56.9 -68.0 -42.1 71.2 82.0 28.0 64 86 A K H ><5S+ 0 0 105 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.890 97.1 63.1 -58.7 -36.6 70.0 84.9 25.9 65 87 A A T 3<5S+ 0 0 38 -4,-1.8 267,-0.3 1,-0.3 -1,-0.3 0.682 100.7 53.3 -63.9 -20.1 71.3 83.2 22.8 66 88 A A T <45S- 0 0 0 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.618 128.0 -95.1 -85.8 -13.0 68.8 80.4 23.3 67 89 A G T <<5 + 0 0 27 -3,-1.5 -50,-0.3 -4,-0.6 -3,-0.2 0.393 69.4 158.3 107.4 2.7 65.8 82.8 23.6 68 90 A C < - 0 0 1 -5,-1.8 -50,-0.3 1,-0.1 -1,-0.3 -0.358 20.7-177.5 -65.1 134.4 65.8 83.1 27.4 69 91 A K S S+ 0 0 108 -52,-3.0 50,-2.3 1,-0.2 2,-0.3 0.439 70.3 33.6-107.4 -15.4 64.1 86.3 28.6 70 92 A F E -bc 18 119A 0 -53,-0.5 -51,-1.8 48,-0.3 2,-0.3 -0.962 65.0-161.4-138.3 157.6 64.7 85.8 32.4 71 93 A A E -bc 19 120A 0 48,-2.2 50,-2.5 -2,-0.3 2,-0.4 -0.993 4.6-162.7-146.3 136.7 67.5 84.2 34.3 72 94 A V E -bc 20 121A 0 -53,-2.5 -51,-2.9 -2,-0.3 2,-0.4 -0.949 2.7-157.0-124.4 139.8 67.6 82.9 37.9 73 95 A L E -bc 21 122A 1 48,-1.4 50,-2.8 -2,-0.4 2,-1.1 -0.944 24.4-119.8-119.8 136.8 70.5 82.1 40.2 74 96 A T E - c 0 123A 0 -53,-2.0 -51,-0.2 -2,-0.4 50,-0.2 -0.651 27.2-178.9 -70.6 99.6 70.6 79.8 43.2 75 97 A A S S- 0 0 0 48,-2.8 8,-2.5 -2,-1.1 2,-0.3 0.860 79.3 -0.1 -65.5 -40.4 71.5 82.2 46.0 76 98 A T + 0 0 5 47,-0.9 -1,-0.2 6,-0.2 49,-0.2 -0.928 68.3 165.5-137.5 164.6 71.4 79.1 48.3 77 99 A H - 0 0 7 4,-0.3 51,-0.5 -2,-0.3 50,-0.2 0.142 65.9 -38.8-140.6 -98.8 70.7 75.5 47.5 78 100 A E S S+ 0 0 0 49,-0.1 52,-2.1 51,-0.1 53,-0.2 0.638 120.9 63.1-117.6 -21.6 71.5 72.6 49.9 79 101 A T S S- 0 0 0 50,-0.2 52,-1.3 2,-0.2 -36,-0.2 0.722 100.3-120.3 -78.1 -20.3 74.8 73.2 51.6 80 102 A G + 0 0 4 1,-0.3 2,-0.2 48,-0.3 11,-0.2 0.217 68.3 136.4 95.6 -10.1 73.6 76.4 53.3 81 103 A F - 0 0 1 11,-0.1 2,-0.4 9,-0.1 -1,-0.3 -0.513 43.9-145.4 -75.1 139.3 76.2 78.5 51.6 82 104 A G B -i 92 0B 0 9,-2.3 11,-1.0 -2,-0.2 2,-0.5 -0.878 11.0-146.3-112.8 133.7 75.1 81.8 50.2 83 105 A L S S+ 0 0 1 -8,-2.5 23,-2.0 -2,-0.4 22,-0.8 -0.068 76.2 62.6 -86.7 37.8 76.3 83.5 47.0 84 106 A W S S- 0 0 0 -2,-0.5 2,-1.4 20,-0.2 9,-1.1 -0.906 96.8 -85.6-147.8 174.9 75.9 87.0 48.3 85 107 A Q - 0 0 30 -2,-0.3 2,-0.3 8,-0.2 -2,-0.1 -0.684 58.1-178.9 -85.5 88.5 77.2 89.5 51.0 86 108 A S - 0 0 0 -2,-1.4 8,-0.1 3,-0.3 6,-0.1 -0.646 31.2-164.2 -97.1 146.3 74.8 88.5 53.8 87 109 A D S S+ 0 0 29 -2,-0.3 399,-0.2 72,-0.1 398,-0.2 0.211 93.8 38.7-102.8 7.4 74.6 90.0 57.2 88 110 A V S S+ 0 0 26 1,-0.3 397,-0.1 396,-0.1 72,-0.1 0.621 108.5 55.7-127.9 -34.1 72.5 87.1 58.6 89 111 A N - 0 0 5 1,-0.1 -3,-0.3 70,-0.1 -1,-0.3 -0.929 62.3-172.0-102.0 104.1 73.9 84.0 57.0 90 112 A P S S+ 0 0 8 0, 0.0 2,-1.9 0, 0.0 5,-0.2 0.688 72.1 83.2 -71.1 -16.8 77.6 84.0 57.9 91 113 A Y S S+ 0 0 2 -11,-0.2 -9,-2.3 3,-0.1 2,-0.2 -0.610 78.8 92.8 -86.7 72.4 78.1 81.0 55.6 92 114 A C B > S-i 82 0B 0 -2,-1.9 3,-2.5 -11,-0.3 4,-0.4 -0.795 98.6 -57.7-146.7-169.4 78.4 83.1 52.5 93 115 A L G > S+ 0 0 0 -9,-1.1 3,-0.7 -11,-1.0 10,-0.4 0.682 120.6 71.9 -60.7 -17.9 80.9 84.9 50.3 94 116 A K G 3 S+ 0 0 21 -10,-0.4 -1,-0.3 1,-0.2 -3,-0.1 0.760 95.0 56.4 -62.7 -25.0 82.2 86.9 53.3 95 117 A A G < S+ 0 0 0 -3,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.655 92.9 82.3 -82.7 -19.2 83.8 83.7 54.6 96 118 A V S < S- 0 0 0 -3,-0.7 5,-0.5 -4,-0.4 7,-0.1 -0.488 72.3-132.7 -99.9 157.4 85.9 82.7 51.6 97 119 A K S > S+ 0 0 133 3,-0.2 3,-2.5 -2,-0.2 5,-0.1 0.825 78.9 102.7 -70.7 -32.0 89.4 83.8 50.3 98 120 A W G > >S+ 0 0 16 -49,-0.5 3,-1.5 1,-0.3 5,-0.5 -0.262 99.6 1.9 -54.1 131.3 88.0 84.2 46.8 99 121 A R G > 5S- 0 0 107 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.684 121.5 -81.2 54.0 27.0 87.6 88.0 46.1 100 122 A D G < 5S- 0 0 115 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.804 82.9 -62.1 55.0 34.3 89.0 88.7 49.6 101 123 A G G < 5S+ 0 0 7 -3,-1.5 -1,-0.3 -5,-0.5 -2,-0.2 0.584 123.8 99.3 68.6 15.3 85.6 88.0 51.1 102 124 A K T < 5 + 0 0 81 -3,-2.0 -2,-0.1 -4,-0.2 -3,-0.1 0.311 48.7 121.9-114.3 6.4 84.0 90.8 49.2 103 125 A G < - 0 0 3 -5,-0.5 2,-0.3 -10,-0.4 -10,-0.1 -0.317 34.9-176.7 -69.2 151.4 82.4 88.9 46.4 104 126 A D > + 0 0 15 -20,-0.1 4,-2.2 1,-0.1 -20,-0.2 -0.781 6.4 177.7-149.6 96.1 78.7 89.0 45.6 105 127 A I H > S+ 0 0 0 -22,-0.8 4,-2.7 -2,-0.3 -21,-0.2 0.826 82.7 59.6 -74.2 -29.5 77.7 86.7 42.8 106 128 A V H > S+ 0 0 2 -23,-2.0 4,-2.8 2,-0.2 5,-0.3 0.927 109.3 45.8 -60.7 -42.2 74.0 87.6 43.2 107 129 A R H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.944 112.0 48.7 -65.0 -49.2 74.9 91.2 42.5 108 130 A D H X S+ 0 0 44 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.950 114.8 49.4 -52.4 -47.0 77.2 90.4 39.6 109 131 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.923 109.9 45.4 -64.0 -47.7 74.3 88.3 38.2 110 132 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.908 113.7 52.1 -68.2 -34.0 71.4 90.7 38.5 111 133 A N H X S+ 0 0 86 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.922 110.2 48.4 -62.5 -44.9 73.7 93.4 37.0 112 134 A S H X S+ 0 0 4 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.904 109.2 53.6 -62.3 -44.7 74.5 91.1 34.1 113 135 A C H >X>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-0.6 0.970 112.0 43.6 -53.1 -53.9 70.8 90.2 33.5 114 136 A R H ><5S+ 0 0 100 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.858 107.5 60.1 -64.9 -34.7 69.9 93.9 33.3 115 137 A K H 3<5S+ 0 0 132 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.870 115.0 34.7 -57.7 -39.0 72.8 94.7 31.1 116 138 A Y H <<5S- 0 0 45 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.290 119.4-104.0-102.4 5.3 71.6 92.3 28.4 117 139 A G T <<5S+ 0 0 60 -3,-0.7 2,-0.4 -4,-0.6 -3,-0.2 0.790 74.8 133.3 81.6 23.1 67.9 92.8 28.9 118 140 A L < - 0 0 5 -5,-2.8 -1,-0.3 -6,-0.2 -48,-0.3 -0.846 58.1-120.1-103.0 144.0 67.0 89.6 30.8 119 141 A Q E -c 70 0A 79 -50,-2.3 -48,-2.2 -2,-0.4 2,-0.3 -0.767 31.0-132.9 -83.9 125.6 64.8 89.9 33.9 120 142 A P E +c 71 0A 6 0, 0.0 52,-2.8 0, 0.0 2,-0.3 -0.616 25.9 178.3 -85.5 137.3 66.7 88.6 37.0 121 143 A G E -c 72 0A 0 -50,-2.5 -48,-1.4 -2,-0.3 2,-0.4 -0.860 18.3-134.8-124.8 168.8 65.2 86.2 39.5 122 144 A I E -cd 73 174A 1 51,-2.3 53,-2.1 -2,-0.3 2,-0.4 -0.979 5.8-154.7-130.4 132.1 66.6 84.5 42.6 123 145 A Y E -cd 74 175A 8 -50,-2.8 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