==== 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-JUN-04 1TQW . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.A.KUNTZ,A.GHAVAMI,B.D.JOHNSTON,B.M.PINTO,D.R.ROSE . 1014 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 668 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 213 21.0 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 . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 89 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 1 0 0 3 0 1 1 1 1 1 1 1 1 0 0 1 1 0 1 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 1 3 3 2 1 0 0 0 1 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 . 8 8 2 6 3 4 3 4 1 0 1 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 1 3 2 1 0 0 0 0 1 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 31 A a 0 0 123 0, 0.0 2,-0.1 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 138.3 43.5 37.5 -18.8 2 32 A Q - 0 0 62 1001,-0.1 2,-0.7 1,-0.1 220,-0.0 -0.376 360.0-116.3 -67.3 147.6 39.8 37.7 -17.8 3 33 A D - 0 0 54 1,-0.1 4,-0.5 -2,-0.1 220,-0.2 -0.793 27.9-171.4 -87.0 117.5 37.5 39.1 -20.6 4 34 A V S S+ 0 0 4 -2,-0.7 -1,-0.1 1,-0.1 877,-0.1 0.412 77.3 44.6 -92.8 1.6 36.1 42.3 -19.1 5 35 A V S S+ 0 0 15 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.787 112.2 36.8-107.3 -45.0 33.6 42.8 -21.9 6 36 A Q S S+ 0 0 124 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.455 97.9 73.9 -99.8 -6.2 31.8 39.6 -22.8 7 37 A D - 0 0 73 -4,-0.5 -1,-0.1 214,-0.2 216,-0.1 -0.888 67.7-151.5-113.4 100.9 31.2 37.8 -19.5 8 38 A V - 0 0 59 -2,-0.6 213,-0.1 1,-0.1 871,-0.1 -0.542 27.3-120.8 -71.9 120.0 28.5 39.4 -17.3 9 39 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.272 12.6-133.0 -63.0 144.3 29.4 38.6 -13.7 10 40 A N + 0 0 145 213,-0.4 2,-0.3 2,-0.0 3,-0.0 -0.879 40.4 162.0 -97.3 107.6 26.9 36.6 -11.6 11 41 A V - 0 0 20 -2,-0.8 3,-0.2 1,-0.1 359,-0.1 -0.917 46.3-128.2-124.3 156.6 26.6 38.5 -8.3 12 42 A D S S+ 0 0 104 357,-0.3 2,-0.4 -2,-0.3 358,-0.2 0.857 101.3 27.5 -70.2 -36.4 24.0 38.4 -5.5 13 43 A V E -a 370 0A 6 356,-1.8 358,-2.2 -3,-0.0 2,-0.5 -0.988 63.8-179.4-130.3 119.3 23.5 42.2 -5.5 14 44 A Q E > -a 371 0A 27 -2,-0.4 4,-2.7 356,-0.2 3,-0.3 -0.989 23.1-145.2-118.1 116.7 24.2 44.3 -8.6 15 45 A M H > S+ 0 0 6 356,-2.5 4,-2.5 -2,-0.5 357,-0.1 0.788 95.5 51.5 -62.0 -33.1 23.5 47.9 -7.7 16 46 A L H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 114.1 46.3 -66.5 -38.9 22.1 49.1 -11.0 17 47 A E H > S+ 0 0 83 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.919 112.0 50.9 -67.8 -42.0 19.7 46.1 -11.0 18 48 A L H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 3,-0.2 0.941 108.6 51.3 -61.3 -45.7 18.8 46.8 -7.4 19 49 A Y H < S+ 0 0 21 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.880 106.4 55.1 -58.1 -37.9 18.1 50.5 -8.2 20 50 A D H < S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.886 115.9 38.2 -65.1 -35.2 15.8 49.4 -11.0 21 51 A R H < S+ 0 0 143 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.794 96.0 93.3 -84.7 -34.4 13.7 47.3 -8.6 22 52 A M < - 0 0 7 -4,-2.6 181,-0.0 -5,-0.2 180,-0.0 -0.303 57.3-156.2 -63.5 146.2 13.7 49.5 -5.5 23 53 A S - 0 0 74 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.601 19.7-146.5 -98.1 -16.5 10.8 51.9 -4.8 24 54 A F + 0 0 20 1,-0.2 2,-0.3 178,-0.1 178,-0.1 0.787 28.1 176.2 59.3 32.5 12.8 54.3 -2.5 25 55 A K - 0 0 152 1,-0.1 2,-1.1 177,-0.1 -1,-0.2 -0.512 25.7-144.8 -72.8 135.2 9.7 55.2 -0.4 26 56 A D + 0 0 81 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.606 36.1 161.5 -99.2 73.9 10.6 57.4 2.5 27 57 A I - 0 0 99 -2,-1.1 2,-0.6 7,-0.1 -2,-0.0 -0.705 48.5-102.5-101.4 151.1 8.2 56.2 5.2 28 58 A D - 0 0 112 -2,-0.3 6,-0.2 1,-0.1 5,-0.1 -0.566 32.6-172.2 -69.7 110.2 8.5 56.7 8.9 29 59 A G - 0 0 12 4,-2.5 3,-0.4 -2,-0.6 2,-0.4 0.375 41.3-112.0 -86.3 3.8 9.9 53.5 10.3 30 60 A G S S- 0 0 25 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.815 82.7 -7.9 102.4-143.4 9.4 54.5 13.9 31 61 A V S S+ 0 0 69 -2,-0.4 2,-1.4 1,-0.2 -1,-0.2 0.885 136.8 57.8 -60.6 -37.8 12.4 55.1 16.2 32 62 A W S > S- 0 0 14 -3,-0.4 3,-1.8 1,-0.2 -1,-0.2 -0.790 88.7-164.7 -85.5 96.3 14.6 53.8 13.4 33 63 A K T 3 S+ 0 0 116 -2,-1.4 -4,-2.5 1,-0.3 -3,-0.3 0.794 79.8 34.5 -62.3 -30.4 13.2 56.5 11.2 34 64 A Q T 3 S+ 0 0 26 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.1 0.218 123.9 39.8-110.7 18.5 14.4 55.0 7.9 35 65 A G S < S- 0 0 2 -3,-1.8 2,-0.3 212,-0.1 -8,-0.1 0.078 88.4 -92.6-127.7-124.7 14.0 51.4 8.8 36 66 A W - 0 0 72 -2,-0.1 2,-1.0 169,-0.0 -7,-0.1 -0.899 47.6 -74.0-156.9 170.6 11.4 49.3 10.8 37 67 A N - 0 0 110 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.690 55.7-139.5 -77.7 104.1 10.9 48.1 14.4 38 68 A I - 0 0 13 -2,-1.0 2,-0.3 1,-0.0 256,-0.1 -0.466 19.0-166.2 -71.8 138.5 13.4 45.3 14.6 39 69 A K - 0 0 180 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.910 5.3-174.9-122.5 146.0 12.4 42.2 16.4 40 70 A Y - 0 0 67 -2,-0.3 254,-0.1 256,-0.0 3,-0.1 -0.979 30.5-114.0-139.6 157.1 14.6 39.4 17.7 41 71 A D > - 0 0 95 -2,-0.3 3,-2.5 1,-0.2 4,-0.3 -0.787 20.9-149.1 -86.9 113.9 14.1 36.0 19.3 42 72 A P G > S+ 0 0 87 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.837 95.5 62.4 -55.7 -25.8 15.5 36.2 22.8 43 73 A L G 3 S+ 0 0 136 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.516 76.4 90.7 -78.3 -0.6 16.4 32.5 22.6 44 74 A K G < S+ 0 0 66 -3,-2.5 2,-0.4 1,-0.0 -1,-0.2 0.871 88.1 46.0 -63.1 -39.6 18.8 33.1 19.7 45 75 A Y S < S+ 0 0 9 -3,-0.8 2,-0.2 -4,-0.3 5,-0.2 -0.902 72.0 150.8-106.0 139.3 21.8 33.6 22.0 46 76 A N B > -F 49 0B 69 3,-1.5 3,-2.0 -2,-0.4 293,-0.0 -0.825 63.9 -67.1-150.5-176.5 22.4 31.1 24.9 47 77 A A T 3 S+ 0 0 75 1,-0.3 3,-0.3 -2,-0.2 -2,-0.0 0.797 133.6 44.7 -57.4 -24.5 25.4 29.8 26.8 48 78 A H T 3 S+ 0 0 185 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.484 121.8 36.7 -97.8 -0.3 26.7 27.9 23.8 49 79 A H B < S+F 46 0B 58 -3,-2.0 -3,-1.5 2,-0.0 -1,-0.3 -0.681 77.4 176.7-151.3 86.3 26.2 30.7 21.4 50 80 A K - 0 0 80 -3,-0.3 2,-0.6 -5,-0.2 292,-0.2 -0.550 34.4-113.7 -94.0 157.8 26.9 34.1 22.8 51 81 A L E -g 342 0C 0 290,-2.6 292,-2.5 -2,-0.2 2,-0.6 -0.831 28.6-151.7 -87.4 121.5 26.8 37.6 21.1 52 82 A K E -gh 343 303C 68 250,-3.1 252,-3.2 -2,-0.6 2,-0.5 -0.876 13.5-163.8 -97.0 121.8 30.4 38.9 21.1 53 83 A V E -gh 344 304C 0 290,-2.5 292,-2.3 -2,-0.6 2,-0.6 -0.922 9.5-164.5-114.9 125.4 30.3 42.8 21.1 54 84 A F E -gh 345 305C 13 250,-3.0 252,-3.0 -2,-0.5 2,-0.7 -0.930 4.5-161.4-110.2 112.8 33.3 45.0 20.2 55 85 A V E -gh 346 306C 0 290,-2.9 292,-2.5 -2,-0.6 40,-0.1 -0.865 12.4-163.0 -92.6 118.7 33.0 48.6 21.2 56 86 A V E - h 0 307C 0 250,-2.4 252,-2.8 -2,-0.7 292,-0.1 -0.866 6.7-147.5-114.5 101.2 35.5 50.5 19.1 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.9 0, 0.0 2,-0.3 -0.444 29.8 162.7 -68.7 140.5 36.4 54.0 20.4 58 88 A H E -ih 97 309C 2 250,-2.0 252,-0.6 38,-0.2 2,-0.3 -0.955 31.4-149.0-154.0 165.9 37.2 56.5 17.6 59 89 A S E - h 0 310C 6 38,-0.5 2,-0.7 -2,-0.3 40,-0.3 -0.933 17.8-139.9-144.5 114.9 37.6 60.2 16.8 60 90 A H E - h 0 311C 1 250,-2.0 252,-2.7 -2,-0.3 2,-0.7 -0.676 23.2-174.1 -83.3 114.2 36.8 61.6 13.4 61 91 A N - 0 0 0 -2,-0.7 42,-0.2 250,-0.2 -1,-0.1 -0.830 11.1-153.8-115.9 93.8 39.5 64.2 12.7 62 92 A D - 0 0 1 -2,-0.7 2,-2.4 1,-0.1 3,-0.1 -0.520 15.7-135.4 -67.0 123.7 38.9 66.2 9.5 63 93 A P S S- 0 0 0 0, 0.0 6,-0.3 0, 0.0 377,-0.1 -0.419 86.8 -19.5 -78.9 68.9 42.2 67.5 8.0 64 94 A G S S+ 0 0 0 -2,-2.4 4,-0.2 4,-0.4 378,-0.1 0.192 82.6 128.5 98.8 134.2 40.5 70.9 7.4 65 95 A W S S+ 0 0 31 2,-2.3 384,-2.7 -3,-0.1 387,-0.2 -0.348 90.9 2.5-171.3 -84.2 36.8 71.6 7.2 66 96 A I S S+ 0 0 48 382,-0.2 2,-0.3 -4,-0.1 385,-0.1 0.577 141.8 30.3 -95.6 -10.2 35.5 74.5 9.4 67 97 A Q S S- 0 0 42 384,-0.0 -2,-2.3 382,-0.0 382,-0.1 -0.887 98.0 -99.0-130.7 163.1 39.1 75.2 10.6 68 98 A T > - 0 0 14 -2,-0.3 4,-2.9 -4,-0.2 -4,-0.4 -0.349 39.7-100.7 -74.5 167.4 42.3 74.7 8.7 69 99 A F H > S+ 0 0 12 -6,-0.3 4,-2.4 1,-0.2 -5,-0.2 0.927 124.9 45.6 -50.5 -50.9 44.5 71.6 9.2 70 100 A E H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 110.7 52.4 -69.4 -35.4 46.9 73.6 11.4 71 101 A E H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.940 112.8 44.7 -63.5 -47.5 44.1 75.3 13.4 72 102 A Y H X>S+ 0 0 6 -4,-2.9 4,-2.8 2,-0.2 5,-2.1 0.895 111.7 54.1 -62.0 -41.4 42.4 71.9 14.2 73 103 A Y H <>S+ 0 0 6 -4,-2.4 5,-2.4 -5,-0.3 6,-0.3 0.942 114.0 40.5 -58.4 -46.8 45.8 70.4 15.1 74 104 A Q H <5S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.880 124.6 35.8 -71.2 -38.3 46.6 73.1 17.6 75 105 A H H <5S- 0 0 98 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.787 137.4 -4.5 -86.9 -26.4 43.1 73.4 19.1 76 106 A D T >X5S+ 0 0 26 -4,-2.8 4,-2.3 -5,-0.3 3,-0.7 0.675 117.6 54.5-132.2 -61.6 42.0 69.8 19.1 77 107 A T H 3> S+ 0 0 75 -3,-0.7 4,-2.8 -6,-0.3 5,-0.3 0.887 110.4 52.9 -74.1 -41.5 45.3 67.2 22.6 80 110 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.939 114.4 41.9 -57.3 -49.4 43.3 64.2 21.4 81 111 A L H X S+ 0 0 3 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.886 114.5 49.5 -70.1 -40.4 46.5 62.3 20.5 82 112 A S H X S+ 0 0 58 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.921 115.4 44.2 -63.3 -43.0 48.5 63.3 23.6 83 113 A N H X S+ 0 0 26 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.874 110.7 54.9 -72.8 -30.0 45.6 62.3 25.9 84 114 A A H X S+ 0 0 3 -4,-2.4 4,-2.7 -5,-0.3 5,-0.4 0.930 107.3 51.4 -63.7 -41.8 45.1 59.1 23.9 85 115 A L H X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.958 114.9 42.1 -58.3 -47.7 48.7 58.2 24.5 86 116 A R H X S+ 0 0 125 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.947 117.0 45.5 -67.0 -47.9 48.4 58.8 28.2 87 117 A H H X S+ 0 0 6 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.886 115.7 45.2 -69.0 -36.5 45.0 57.1 28.7 88 118 A L H >< S+ 0 0 0 -4,-2.7 3,-0.5 -5,-0.3 -1,-0.2 0.916 111.8 53.5 -70.6 -43.1 45.9 54.0 26.7 89 119 A H H 3< S+ 0 0 91 -4,-2.3 -2,-0.2 -5,-0.4 -1,-0.2 0.943 115.9 39.9 -54.0 -44.8 49.2 53.8 28.4 90 120 A D H 3< S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.608 116.5 48.9 -81.8 -13.9 47.5 53.8 31.8 91 121 A N X< - 0 0 31 -4,-1.1 3,-2.0 -3,-0.5 -1,-0.2 -0.804 66.9-169.2-129.2 88.8 44.5 51.6 31.0 92 122 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.684 83.4 50.3 -54.8 -26.7 45.6 48.4 29.2 93 123 A E T 3 S+ 0 0 142 2,-0.1 253,-0.2 254,-0.0 2,-0.2 0.532 87.3 101.7 -89.9 -9.7 42.2 47.2 28.1 94 124 A M < - 0 0 2 -3,-2.0 2,-0.3 -6,-0.2 -3,-0.1 -0.523 55.4-166.4 -73.3 149.6 41.2 50.5 26.6 95 125 A K - 0 0 32 -2,-0.2 2,-0.3 -40,-0.1 33,-0.2 -0.860 11.9-178.3-133.4 163.6 41.4 50.6 22.7 96 126 A F E - j 0 128C 2 31,-2.1 33,-2.4 -2,-0.3 2,-0.3 -0.946 14.0-146.1-163.6 141.7 41.3 53.3 20.0 97 127 A I E -ij 58 129C 3 -40,-1.9 -38,-0.5 -2,-0.3 2,-0.4 -0.854 11.2-161.8-114.8 150.4 41.5 53.5 16.2 98 128 A W E + j 0 130C 2 31,-2.2 33,-2.5 -2,-0.3 35,-0.2 -0.995 15.0 171.1-135.8 132.6 43.1 56.2 14.1 99 129 A A + 0 0 7 -2,-0.4 2,-0.9 -40,-0.3 34,-0.4 0.812 56.5 73.4-107.0 -41.7 42.5 57.0 10.4 100 130 A E > - 0 0 2 1,-0.2 4,-1.6 33,-0.1 3,-0.5 -0.676 47.8-177.8 -94.8 102.8 44.2 60.3 9.3 101 131 A I H > S+ 0 0 0 33,-2.6 4,-3.2 -2,-0.9 5,-0.3 0.799 76.0 72.1 -73.1 -23.6 48.0 59.9 9.1 102 132 A S H > S+ 0 0 3 33,-2.3 4,-1.7 32,-0.3 -1,-0.2 0.936 106.8 38.6 -52.9 -46.5 48.5 63.5 8.1 103 133 A Y H > S+ 0 0 0 -3,-0.5 4,-2.2 32,-0.3 -1,-0.2 0.880 114.7 52.7 -69.3 -42.3 47.6 64.5 11.7 104 134 A F H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 5,-0.2 0.906 110.7 46.5 -63.4 -42.7 49.4 61.5 13.3 105 135 A A H X S+ 0 0 4 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.907 110.8 53.6 -64.1 -41.0 52.7 62.3 11.5 106 136 A R H X S+ 0 0 63 -4,-1.7 4,-0.6 -5,-0.3 -2,-0.2 0.893 116.5 40.0 -59.2 -40.6 52.3 66.1 12.4 107 137 A F H >X S+ 0 0 12 -4,-2.2 3,-0.8 2,-0.2 4,-0.7 0.944 113.2 51.9 -74.1 -51.6 51.9 64.9 16.1 108 138 A Y H >< S+ 0 0 4 -4,-3.2 3,-1.1 1,-0.3 -2,-0.2 0.876 105.1 54.5 -60.0 -41.4 54.5 62.2 16.2 109 139 A H H 3< S+ 0 0 82 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.806 107.2 52.3 -67.7 -24.3 57.3 64.3 14.8 110 140 A D H << S+ 0 0 106 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.569 90.4 103.0 -85.6 -7.7 56.8 66.9 17.6 111 141 A L S << S- 0 0 27 -3,-1.1 2,-0.0 -4,-0.7 -3,-0.0 -0.467 75.7-116.3 -75.3 144.6 57.0 64.3 20.4 112 142 A G > - 0 0 50 -2,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.319 36.3-102.7 -69.5 161.5 60.0 63.8 22.6 113 143 A E H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.853 118.9 56.9 -58.4 -39.3 61.8 60.5 22.3 114 144 A N H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 112.0 43.1 -60.4 -45.7 60.4 59.0 25.5 115 145 A K H > S+ 0 0 91 2,-0.2 4,-2.8 -3,-0.2 -2,-0.2 0.846 108.6 57.7 -69.2 -35.3 56.8 59.6 24.3 116 146 A K H X S+ 0 0 40 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.938 109.2 47.2 -57.7 -44.5 57.6 58.3 20.8 117 147 A L H X S+ 0 0 96 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.908 110.7 50.1 -64.3 -43.5 58.7 55.1 22.4 118 148 A Q H X S+ 0 0 44 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.909 111.8 49.7 -59.6 -42.1 55.5 55.0 24.6 119 149 A M H X S+ 0 0 2 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.925 108.5 51.1 -63.1 -45.8 53.5 55.5 21.4 120 150 A K H X S+ 0 0 78 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.879 109.0 53.8 -60.3 -35.0 55.2 52.8 19.5 121 151 A S H X S+ 0 0 71 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.904 106.5 48.5 -68.8 -43.0 54.5 50.4 22.4 122 152 A I H <>S+ 0 0 5 -4,-1.9 6,-2.1 2,-0.2 5,-1.5 0.756 115.5 46.9 -70.8 -20.6 50.8 51.0 22.5 123 153 A V H ><5S+ 0 0 12 -4,-1.5 3,-1.7 4,-0.2 -2,-0.2 0.912 112.8 47.7 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