==== 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 18-MAR-03 1UAS . COMPND 2 MOLECULE: ALPHA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA; . AUTHOR Z.FUJIMOTO,S.KANEKO,M.MOMMA,H.KOBAYASHI,H.MIZUNO . 362 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 29 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 2 0 0 2 0 0 1 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 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 1 A F 0 0 19 0, 0.0 2,-1.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.4 13.1 -11.1 17.2 2 2 A E + 0 0 160 1,-0.2 208,-0.0 173,-0.1 176,-0.0 -0.542 360.0 114.4 -94.1 69.7 11.8 -13.1 14.2 3 3 A N S S- 0 0 38 -2,-1.2 -1,-0.2 2,-0.3 3,-0.1 0.207 88.1-109.2-118.8 12.0 8.8 -11.0 13.1 4 4 A G S S+ 0 0 55 1,-0.3 3,-0.3 -3,-0.3 2,-0.2 0.460 87.3 109.5 74.6 -0.3 10.1 -10.0 9.7 5 5 A L + 0 0 29 1,-0.2 -2,-0.3 -4,-0.2 -1,-0.3 -0.662 63.9 27.7-105.3 162.0 10.6 -6.5 11.0 6 6 A G + 0 0 12 -2,-0.2 204,-2.5 1,-0.1 -1,-0.2 0.844 60.7 152.8 59.8 36.1 13.8 -4.6 11.8 7 7 A R S S+ 0 0 114 -3,-0.3 204,-0.1 202,-0.2 -1,-0.1 0.786 81.7 21.3 -65.6 -24.1 15.9 -6.5 9.3 8 8 A T S S- 0 0 47 201,-0.1 263,-0.1 202,-0.1 3,-0.1 -0.886 118.0 -71.5-131.7 161.0 17.9 -3.3 9.3 9 9 A P - 0 0 1 0, 0.0 233,-0.1 0, 0.0 -2,-0.1 -0.220 59.7-100.1 -55.7 145.4 17.8 -0.6 12.0 10 10 A Q - 0 0 6 -4,-0.1 234,-3.0 35,-0.0 2,-0.4 -0.383 36.2-158.4 -67.8 143.9 14.6 1.4 12.2 11 11 A M E +a 244 0A 6 33,-0.3 36,-2.2 232,-0.2 35,-1.2 -0.984 40.3 81.4-125.2 135.6 14.6 4.8 10.6 12 12 A G E -ab 245 47A 0 232,-2.4 234,-3.0 -2,-0.4 2,-0.3 -0.886 67.1 -68.2 174.5-140.7 12.2 7.6 11.5 13 13 A W E -ab 246 48A 0 34,-3.0 36,-2.9 232,-0.3 2,-0.4 -0.981 26.3-159.3-149.0 150.4 11.5 10.3 14.0 14 14 A N E - b 0 49A 2 232,-2.5 4,-0.3 -2,-0.3 3,-0.3 -0.999 17.8-139.6-138.8 135.1 10.4 10.5 17.7 15 15 A S S >>S+ 0 0 0 34,-1.8 4,-1.8 -2,-0.4 5,-0.6 0.607 83.3 78.9 -66.8 -15.8 8.7 13.4 19.5 16 16 A W H >5S+ 0 0 56 3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 78.9 57.2 -65.1 -56.3 10.6 13.2 22.8 17 17 A N H 45S+ 0 0 7 -3,-0.3 -1,-0.2 1,-0.2 171,-0.1 0.765 126.4 18.1 -50.2 -31.6 14.1 14.8 22.3 18 18 A H H 45S+ 0 0 82 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.783 135.9 31.8-109.5 -40.3 12.6 18.1 21.3 19 19 A F H ><5S- 0 0 25 -4,-1.8 3,-2.2 1,-0.2 -3,-0.2 0.655 75.4-180.0 -95.5 -17.8 9.0 18.2 22.3 20 20 A Y T 3< - 0 0 51 -2,-0.3 4,-1.7 48,-0.0 3,-0.2 -0.952 47.3 -97.2-152.4 169.8 -0.2 17.0 19.9 25 25 A E H > S+ 0 0 15 46,-2.9 4,-2.5 -2,-0.3 5,-0.2 0.768 117.5 60.2 -64.7 -27.7 -1.7 15.7 16.7 26 26 A Q H > S+ 0 0 88 45,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.930 106.0 47.9 -65.2 -45.2 -1.1 18.9 14.7 27 27 A I H > S+ 0 0 19 -3,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.906 112.1 49.9 -61.6 -42.0 2.7 18.5 15.4 28 28 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.931 111.6 47.2 -64.1 -45.6 2.6 14.8 14.3 29 29 A R H X S+ 0 0 59 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.935 114.6 46.6 -61.4 -46.2 0.7 15.6 11.1 30 30 A E H X S+ 0 0 70 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.841 109.4 54.7 -64.6 -34.8 3.0 18.4 10.2 31 31 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.896 107.2 50.5 -66.0 -39.3 6.0 16.3 11.0 32 32 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.943 110.9 49.0 -62.6 -46.7 4.8 13.6 8.6 33 33 A D H X S+ 0 0 43 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.923 112.1 49.7 -57.2 -45.3 4.4 16.3 5.9 34 34 A A H X S+ 0 0 10 -4,-2.6 4,-2.7 1,-0.2 6,-0.4 0.888 103.6 57.0 -62.9 -43.0 7.9 17.6 6.6 35 35 A L H < S+ 0 0 0 -4,-2.6 6,-2.9 1,-0.2 5,-0.5 0.895 115.0 40.7 -57.4 -37.0 9.5 14.1 6.4 36 36 A V H >< S+ 0 0 59 -4,-1.6 3,-1.5 4,-0.2 6,-0.2 0.965 116.3 46.5 -74.4 -54.0 8.1 13.9 2.9 37 37 A N H 3< S+ 0 0 136 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.777 111.4 51.7 -61.1 -30.3 8.7 17.5 1.7 38 38 A T T 3< S- 0 0 30 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.523 112.3-117.8 -84.8 -6.2 12.3 17.5 3.0 39 39 A G S <> S+ 0 0 30 -3,-1.5 4,-1.0 -4,-0.2 -3,-0.2 0.397 83.2 118.9 85.4 -3.2 13.1 14.3 1.2 40 40 A L H >> + 0 0 0 -5,-0.5 5,-1.8 -6,-0.4 4,-0.5 0.881 69.5 57.2 -63.1 -38.8 13.9 12.5 4.4 41 41 A A H >45S+ 0 0 27 -6,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.924 103.7 52.9 -58.4 -44.7 11.1 9.9 3.8 42 42 A K H 345S+ 0 0 199 -7,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.795 104.1 57.6 -61.7 -28.3 12.6 8.9 0.5 43 43 A L H 3<5S- 0 0 55 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.576 132.0 -88.2 -79.1 -10.4 15.9 8.3 2.2 44 44 A G T <<5S+ 0 0 27 -3,-1.6 2,-1.6 -4,-0.5 -33,-0.3 0.274 83.4 133.6 125.2 -13.6 14.3 5.8 4.6 45 45 A Y < + 0 0 0 -5,-1.8 -33,-0.3 1,-0.2 -1,-0.2 -0.549 24.6 143.8 -73.6 90.9 13.0 7.8 7.6 46 46 A Q + 0 0 68 -2,-1.6 43,-3.0 -35,-1.2 2,-0.7 0.691 34.5 88.3-104.3 -27.3 9.5 6.1 7.7 47 47 A Y E -bc 12 89A 7 -36,-2.2 -34,-3.0 -3,-0.2 2,-1.0 -0.696 50.5-168.3 -84.6 115.4 8.5 5.8 11.3 48 48 A V E -bc 13 90A 0 41,-3.1 43,-2.8 -2,-0.7 2,-0.6 -0.851 22.8-165.6 -98.9 97.0 6.7 8.8 12.7 49 49 A N E -bc 14 91A 1 -36,-2.9 -34,-1.8 -2,-1.0 2,-0.4 -0.784 16.4-153.5 -99.9 123.2 6.8 7.8 16.4 50 50 A I - 0 0 1 41,-2.6 78,-0.2 -2,-0.6 3,-0.1 -0.704 18.9-167.5 -85.0 133.9 4.8 9.4 19.1 51 51 A D - 0 0 4 -2,-0.4 42,-0.4 1,-0.3 3,-0.3 0.101 42.6 -21.6 -99.3-143.6 6.5 9.2 22.5 52 52 A D S S+ 0 0 3 1,-0.2 -1,-0.3 40,-0.1 -29,-0.1 -0.119 111.6 40.0 -64.7 159.5 5.0 9.9 26.0 53 53 A a S S+ 0 0 9 -3,-0.1 -30,-0.3 -31,-0.1 -1,-0.2 0.743 70.1 116.9 76.3 31.8 1.9 12.0 26.8 54 54 A W + 0 0 0 -3,-0.3 14,-2.9 39,-0.2 2,-0.2 0.623 63.8 63.3-101.3 -15.5 -0.5 11.1 24.0 55 55 A A B S-H 67 0B 1 12,-0.3 2,-0.1 1,-0.1 4,-0.1 -0.564 87.1 -91.2-110.1 171.9 -3.3 9.5 26.0 56 56 A E - 0 0 52 10,-3.1 10,-0.2 -2,-0.2 -1,-0.1 -0.372 41.6-112.2 -71.3 157.4 -5.8 10.5 28.7 57 57 A Y S S+ 0 0 139 48,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.872 99.9 38.1 -59.7 -38.5 -4.8 10.0 32.3 58 58 A S S S- 0 0 74 47,-0.1 8,-0.2 48,-0.1 -2,-0.2 -0.810 83.7-115.9-117.6 156.7 -7.3 7.2 32.7 59 59 A R - 0 0 44 -2,-0.3 6,-0.2 1,-0.1 -1,-0.0 -0.361 41.2-103.5 -78.6 165.1 -8.6 4.3 30.5 60 60 A D > - 0 0 60 4,-2.2 3,-2.2 -2,-0.1 -1,-0.1 -0.184 43.5 -83.8 -82.1-177.7 -12.3 4.3 29.5 61 61 A S T 3 S+ 0 0 129 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.673 130.8 55.1 -61.1 -17.7 -15.0 2.2 31.0 62 62 A Q T 3 S- 0 0 141 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.428 119.5-109.5 -94.9 -0.4 -14.0 -0.7 28.7 63 63 A G S < S+ 0 0 18 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.643 73.7 136.0 82.7 16.2 -10.4 -0.5 29.9 64 64 A N - 0 0 28 1,-0.1 -4,-2.2 -6,-0.0 -1,-0.3 -0.639 61.8-101.0 -98.5 154.0 -9.0 0.9 26.7 65 65 A F - 0 0 5 -2,-0.2 -6,-0.1 -6,-0.2 -1,-0.1 -0.364 34.6-148.5 -63.8 150.5 -6.5 3.7 26.2 66 66 A V - 0 0 13 -10,-0.2 -10,-3.1 -8,-0.2 3,-0.1 -0.987 17.3-119.9-126.9 120.5 -8.1 7.0 25.2 67 67 A P B -H 55 0B 21 0, 0.0 -12,-0.3 0, 0.0 -13,-0.0 -0.357 51.7 -85.2 -56.7 137.8 -6.3 9.4 22.9 68 68 A N > - 0 0 33 -14,-2.9 4,-2.5 1,-0.2 7,-0.2 -0.223 36.0-146.6 -49.6 119.8 -5.8 12.6 24.8 69 69 A R T 4 S+ 0 0 158 1,-0.2 -1,-0.2 2,-0.2 -14,-0.0 0.669 95.2 43.2 -64.9 -17.1 -9.0 14.6 24.3 70 70 A Q T 4 S+ 0 0 157 2,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.884 128.1 21.8 -94.2 -48.9 -7.1 17.9 24.4 71 71 A T T 4 S+ 0 0 43 1,-0.2 -46,-2.9 -47,-0.1 -45,-0.3 0.678 135.7 31.3 -95.8 -21.1 -4.0 17.2 22.3 72 72 A F >< + 0 0 1 -4,-2.5 3,-1.7 -48,-0.2 -1,-0.2 -0.323 68.8 148.6-132.1 51.9 -5.1 14.2 20.2 73 73 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.749 70.2 58.6 -57.4 -28.4 -8.9 14.9 19.8 74 74 A S T 3 S- 0 0 70 1,-0.2 4,-0.5 -3,-0.1 -5,-0.1 0.596 109.9-123.2 -80.2 -11.1 -9.0 13.2 16.3 75 75 A G <> - 0 0 18 -3,-1.7 4,-1.2 -7,-0.2 -1,-0.2 0.052 17.5 -87.7 88.7 160.5 -7.8 9.9 17.7 76 76 A I H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.848 120.4 60.0 -75.6 -35.7 -4.8 7.7 16.9 77 77 A K H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.939 107.4 46.4 -57.5 -47.5 -6.6 5.7 14.1 78 78 A A H > S+ 0 0 47 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.883 112.9 50.1 -62.4 -38.9 -7.2 8.9 12.1 79 79 A L H X S+ 0 0 5 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.885 109.6 50.6 -67.7 -38.7 -3.6 10.0 12.7 80 80 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 42,-0.2 -2,-0.2 0.900 109.5 51.1 -65.6 -40.3 -2.3 6.6 11.5 81 81 A D H X S+ 0 0 72 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.910 109.5 51.3 -62.4 -41.7 -4.5 6.9 8.4 82 82 A Y H X S+ 0 0 70 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.948 113.8 42.7 -59.4 -51.6 -3.0 10.3 7.7 83 83 A V H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.8 0.883 112.0 54.1 -63.8 -40.7 0.6 9.1 8.0 84 84 A H H ><5S+ 0 0 67 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.857 102.4 58.1 -62.4 -35.9 -0.1 5.9 6.0 85 85 A A H 3<5S+ 0 0 87 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.745 102.8 54.5 -65.9 -23.1 -1.5 8.1 3.2 86 86 A K T <<5S- 0 0 90 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.396 124.7-105.7 -89.2 1.1 1.9 9.8 3.1 87 87 A G T < 5S+ 0 0 61 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.671 84.7 116.8 82.2 19.0 3.6 6.4 2.7 88 88 A L < - 0 0 6 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.3 -0.521 59.6-122.3-111.8 178.6 4.8 6.5 6.3 89 89 A K E -c 47 0A 65 -43,-3.0 -41,-3.1 -2,-0.2 2,-0.5 -0.878 18.7-131.0-121.6 154.1 4.3 4.4 9.4 90 90 A L E -c 48 0A 0 33,-0.4 35,-3.1 -2,-0.3 36,-1.0 -0.910 17.0-163.6-112.3 133.2 3.0 5.5 12.9 91 91 A G E -cd 49 126A 0 -43,-2.8 -41,-2.6 -2,-0.5 2,-0.3 -0.822 5.2-169.2-112.1 151.9 4.7 4.6 16.2 92 92 A I E - d 0 127A 1 34,-2.8 36,-2.1 -2,-0.3 2,-0.4 -0.807 11.9-130.8-132.1 174.3 3.2 4.8 19.7 93 93 A Y E + d 0 128A 2 -42,-0.4 2,-0.2 -2,-0.3 36,-0.2 -0.981 27.3 152.8-135.7 139.3 4.5 4.6 23.2 94 94 A S E - d 0 129A 0 34,-2.4 36,-2.7 -2,-0.4 2,-0.3 -0.806 30.5-117.4-144.7-169.8 3.5 2.7 26.4 95 95 A D E - d 0 130A 0 34,-0.3 13,-2.7 -2,-0.2 2,-2.4 -0.997 17.5-125.5-144.4 141.0 5.1 1.4 29.5 96 96 A A S S+ 0 0 0 34,-3.5 2,-0.3 -2,-0.3 46,-0.1 -0.438 93.5 49.0 -79.7 63.7 5.7 -2.0 31.2 97 97 A G S S- 0 0 0 -2,-2.4 12,-1.8 45,-0.1 -2,-0.2 -0.948 107.0 -69.6-174.6-169.0 4.0 -0.7 34.3 98 98 A S S S+ 0 0 70 35,-1.9 9,-1.5 -2,-0.3 2,-0.3 0.757 111.6 11.1 -76.8 -26.4 0.9 1.1 35.7 99 99 A Q B S-I 106 0C 44 7,-0.4 -1,-0.1 33,-0.3 8,-0.1 -0.971 82.8-100.6-147.6 159.3 1.8 4.5 34.2 100 100 A T > - 0 0 0 5,-2.3 3,-1.5 -2,-0.3 5,-0.1 -0.217 49.9 -93.6 -72.9 172.3 4.3 5.9 31.7 101 101 A b T 3 S+ 0 0 46 1,-0.3 -1,-0.1 2,-0.1 32,-0.1 0.738 126.7 55.4 -62.2 -22.9 7.4 7.7 32.9 102 102 A S T 3 S- 0 0 32 3,-0.1 -1,-0.3 30,-0.1 -81,-0.0 0.633 101.5-134.7 -82.8 -14.5 5.7 11.1 32.8 103 103 A N S < S+ 0 0 75 -3,-1.5 -2,-0.1 2,-0.2 -1,-0.0 0.738 77.9 111.1 65.3 23.7 2.9 9.8 35.1 104 104 A K S S+ 0 0 118 1,-0.1 -1,-0.1 2,-0.1 -3,-0.1 0.468 78.1 18.6-104.9 -6.2 0.5 11.5 32.7 105 105 A M S S- 0 0 0 -5,-0.1 -5,-2.3 -51,-0.0 -2,-0.2 -0.976 88.9 -81.2-156.7 164.3 -1.0 8.4 31.2 106 106 A P B -I 99 0C 12 0, 0.0 -7,-0.4 0, 0.0 2,-0.2 -0.206 31.6-138.5 -70.1 161.7 -1.5 4.6 31.9 107 107 A G - 0 0 2 -9,-1.5 -11,-0.2 -10,-0.2 -7,-0.1 -0.542 23.9-115.0-105.6 177.4 1.1 1.9 31.2 108 108 A S > + 0 0 0 -13,-2.7 3,-2.8 -2,-0.2 4,-0.4 0.318 60.7 138.5-101.6 8.3 0.1 -1.5 29.7 109 109 A L T 3 S+ 0 0 12 -12,-1.8 -2,-0.1 -14,-0.5 -13,-0.0 -0.359 85.7 3.1 -59.0 125.5 0.9 -3.8 32.6 110 110 A D T 3 S+ 0 0 88 32,-0.1 -1,-0.3 -2,-0.1 4,-0.1 0.542 127.4 71.0 72.8 11.4 -1.9 -6.4 32.9 111 111 A H <> + 0 0 62 -3,-2.8 4,-2.9 2,-0.1 5,-0.2 0.101 59.3 119.6-136.7 15.7 -3.5 -4.8 29.8 112 112 A E H > S+ 0 0 4 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.898 75.7 43.4 -53.5 -53.0 -1.0 -6.1 27.2 113 113 A E H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.943 117.1 46.9 -60.9 -48.4 -3.3 -8.1 25.0 114 114 A Q H > S+ 0 0 62 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.901 114.1 47.8 -60.8 -42.5 -6.1 -5.5 25.0 115 115 A D H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.898 111.3 49.0 -68.8 -40.0 -3.6 -2.7 24.3 116 116 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.913 111.7 49.9 -66.1 -39.8 -1.9 -4.5 21.4 117 117 A K H X S+ 0 0 100 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.912 112.3 48.6 -62.4 -41.2 -5.3 -5.3 19.9 118 118 A T H X S+ 0 0 14 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.953 111.9 47.9 -62.6 -50.6 -6.2 -1.6 20.3 119 119 A F H X>S+ 0 0 0 -4,-3.1 5,-2.6 1,-0.2 4,-0.8 0.912 112.2 49.6 -57.3 -44.6 -3.0 -0.5 18.7 120 120 A A H ><5S+ 0 0 46 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.904 108.6 52.5 -62.0 -41.2 -3.4 -2.9 15.8 121 121 A S H 3<5S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.789 108.8 51.8 -65.7 -26.2 -7.0 -1.8 15.2 122 122 A W H 3<5S- 0 0 37 -4,-1.5 -1,-0.3 -3,-0.3 -42,-0.2 0.615 119.1-111.7 -84.0 -14.0 -5.7 1.8 15.1 123 123 A G T <<5 + 0 0 17 -3,-0.9 -33,-0.4 -4,-0.8 -3,-0.2 0.694 54.1 170.1 90.4 20.3 -3.1 0.9 12.5 124 124 A V < - 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