==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-04 1TQU . 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) . 35318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 665 65.6 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 . 210 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 86 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 . 6 7 3 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 0 124 0, 0.0 3,-0.0 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 130.2 43.1 37.1 -18.4 2 32 A Q - 0 0 60 1001,-0.1 2,-0.6 1,-0.1 220,-0.0 -0.254 360.0-117.7 -62.4 152.5 39.4 37.4 -17.5 3 33 A D - 0 0 53 1,-0.1 4,-0.4 2,-0.0 220,-0.2 -0.829 28.2-171.2 -93.7 125.1 37.2 38.7 -20.3 4 34 A V S S+ 0 0 3 -2,-0.6 -1,-0.1 2,-0.1 877,-0.1 0.376 76.7 46.8-102.3 6.3 35.7 41.9 -18.9 5 35 A V S S+ 0 0 14 869,-0.1 871,-0.5 870,-0.1 876,-0.1 0.811 110.3 38.3-108.2 -47.6 33.3 42.5 -21.7 6 36 A Q S S+ 0 0 126 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.453 97.3 68.7 -93.8 -8.1 31.4 39.3 -22.5 7 37 A D S S- 0 0 79 -4,-0.4 216,-0.1 214,-0.2 -1,-0.1 -0.967 70.1-144.5-116.3 117.7 30.6 37.4 -19.3 8 38 A V - 0 0 57 -2,-0.6 213,-0.1 871,-0.1 871,-0.1 -0.677 27.7-119.2 -78.0 122.4 28.1 39.0 -17.1 9 39 A P - 0 0 11 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.310 18.0-133.9 -60.9 145.3 29.2 38.3 -13.4 10 40 A N + 0 0 141 213,-0.4 2,-0.3 -3,-0.0 3,-0.1 -0.873 39.7 163.5 -99.4 111.7 26.6 36.4 -11.5 11 41 A V - 0 0 20 -2,-0.8 3,-0.1 1,-0.1 359,-0.1 -0.916 47.1-126.5-127.9 157.1 26.3 38.1 -8.1 12 42 A D S S+ 0 0 98 -2,-0.3 2,-0.4 1,-0.2 358,-0.2 0.861 102.3 26.4 -68.3 -36.9 23.7 38.0 -5.4 13 43 A V E -a 370 0A 4 356,-2.0 358,-1.9 -3,-0.1 2,-0.5 -0.992 63.9-178.9-128.9 122.6 23.3 41.8 -5.4 14 44 A Q E > -a 371 0A 29 -2,-0.4 4,-3.2 356,-0.2 3,-0.3 -0.991 22.6-145.5-119.2 116.8 23.9 43.9 -8.5 15 45 A M H > S+ 0 0 4 356,-2.3 4,-2.6 -2,-0.5 5,-0.2 0.815 95.3 50.8 -59.2 -35.8 23.3 47.5 -7.6 16 46 A L H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 115.0 45.9 -66.9 -37.5 21.8 48.7 -10.9 17 47 A E H > S+ 0 0 87 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.947 112.5 50.0 -68.7 -45.2 19.4 45.7 -10.8 18 48 A L H X S+ 0 0 5 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.921 110.4 50.2 -59.5 -41.9 18.6 46.4 -7.2 19 49 A Y H < S+ 0 0 20 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.888 106.2 55.5 -63.3 -38.4 17.9 50.1 -8.0 20 50 A D H < S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.894 116.9 37.6 -63.6 -35.5 15.6 49.1 -10.9 21 51 A R H < S+ 0 0 133 -4,-1.8 -2,-0.2 -3,-0.1 -1,-0.2 0.821 95.3 92.1 -86.3 -35.8 13.5 47.0 -8.5 22 52 A M < - 0 0 10 -4,-2.6 181,-0.0 -5,-0.2 180,-0.0 -0.297 59.5-151.5 -65.8 150.9 13.5 49.0 -5.3 23 53 A S - 0 0 80 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.658 16.8-148.2 -95.7 -23.1 10.7 51.5 -4.6 24 54 A F + 0 0 20 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.774 28.9 173.2 61.9 27.5 12.6 53.9 -2.4 25 55 A K - 0 0 138 1,-0.1 2,-1.1 177,-0.1 -1,-0.2 -0.501 29.7-140.8 -72.0 136.5 9.5 54.8 -0.4 26 56 A D + 0 0 80 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.686 36.5 167.9 -99.6 83.1 10.4 57.0 2.5 27 57 A I - 0 0 98 -2,-1.1 2,-0.7 7,-0.1 -3,-0.0 -0.701 45.0-107.7 -98.7 144.1 8.1 55.6 5.2 28 58 A D - 0 0 113 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.608 32.9-173.8 -68.6 108.0 8.3 56.3 8.9 29 59 A G - 0 0 12 4,-2.7 3,-0.4 -2,-0.7 2,-0.3 0.389 40.3-114.6 -88.8 5.5 9.7 53.1 10.2 30 60 A G S S- 0 0 24 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.766 81.5 -5.9 99.6-143.9 9.3 54.2 13.9 31 61 A V S S+ 0 0 58 -2,-0.3 2,-1.8 1,-0.3 -1,-0.2 0.913 136.8 57.7 -54.9 -38.8 12.2 54.7 16.3 32 62 A W S > S- 0 0 13 -3,-0.4 3,-2.0 1,-0.2 -1,-0.3 -0.711 88.8-165.6 -88.1 94.1 14.4 53.3 13.4 33 63 A K T 3 S+ 0 0 120 -2,-1.8 -4,-2.7 1,-0.3 -3,-0.3 0.810 79.3 33.0 -54.9 -34.8 13.0 56.1 11.2 34 64 A Q T 3 S+ 0 0 23 -6,-0.2 -1,-0.3 -3,-0.1 171,-0.1 0.246 124.2 40.2-108.8 15.7 14.2 54.7 7.9 35 65 A G S < S- 0 0 1 -3,-2.0 2,-0.3 212,-0.1 -8,-0.1 0.102 88.4 -97.3-125.1-121.7 13.8 51.0 8.8 36 66 A W - 0 0 68 -2,-0.1 2,-0.9 169,-0.0 -7,-0.1 -0.903 49.4 -69.6-159.2 172.1 11.2 49.0 10.7 37 67 A N - 0 0 96 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.668 54.4-141.1 -77.6 108.3 10.7 47.7 14.3 38 68 A I - 0 0 9 -2,-0.9 2,-0.3 1,-0.0 257,-0.1 -0.487 18.9-166.9 -72.2 137.4 13.3 44.9 14.5 39 69 A K - 0 0 164 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.909 4.8-173.3-122.0 150.5 12.1 41.9 16.4 40 70 A Y - 0 0 65 -2,-0.3 254,-0.1 256,-0.0 3,-0.1 -0.967 30.3-111.0-139.0 162.0 14.4 39.0 17.5 41 71 A D > - 0 0 90 -2,-0.3 3,-3.1 1,-0.2 4,-0.4 -0.810 21.0-149.8 -91.7 111.4 13.9 35.6 19.1 42 72 A P G > S+ 0 0 85 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.817 96.3 60.1 -51.6 -26.2 15.3 35.8 22.7 43 73 A L G 3 S+ 0 0 135 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.482 77.9 89.6 -81.1 -0.6 16.2 32.1 22.4 44 74 A K G < S+ 0 0 61 -3,-3.1 2,-0.4 2,-0.0 -1,-0.2 0.920 88.9 48.2 -60.1 -42.3 18.6 32.7 19.4 45 75 A Y S < S+ 0 0 8 -3,-0.6 2,-0.3 -4,-0.4 5,-0.2 -0.797 74.3 148.2-100.5 140.3 21.5 33.3 21.7 46 76 A N B > -F 49 0B 69 3,-2.2 3,-1.9 -2,-0.4 293,-0.0 -0.905 63.5 -66.0-155.3-178.0 22.2 30.8 24.6 47 77 A A T 3 S+ 0 0 75 1,-0.3 3,-0.3 -2,-0.3 -2,-0.0 0.796 133.1 41.8 -48.3 -34.0 25.0 29.3 26.6 48 78 A H T 3 S+ 0 0 183 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.526 123.6 36.3 -95.3 -4.6 26.3 27.5 23.6 49 79 A H B < S+F 46 0B 58 -3,-1.9 -3,-2.2 2,-0.0 -1,-0.3 -0.723 76.0 177.2-149.4 88.1 25.9 30.4 21.2 50 80 A K - 0 0 78 -3,-0.3 2,-0.6 -2,-0.2 292,-0.2 -0.606 35.1-114.1 -92.4 160.3 26.5 33.8 22.6 51 81 A L E -g 342 0C 0 290,-2.2 292,-2.5 -2,-0.2 2,-0.7 -0.825 30.2-150.8 -89.6 115.5 26.4 37.2 20.9 52 82 A K E -gh 343 303C 65 250,-3.4 252,-3.4 -2,-0.6 2,-0.5 -0.846 14.1-162.0 -92.9 122.2 30.0 38.5 21.0 53 83 A V E -gh 344 304C 0 290,-2.8 292,-2.0 -2,-0.7 2,-0.6 -0.885 10.0-164.6-114.1 128.2 29.9 42.3 21.0 54 84 A F E -gh 345 305C 16 250,-3.0 252,-2.8 -2,-0.5 2,-0.7 -0.935 5.3-159.8-111.2 113.3 32.9 44.5 20.1 55 85 A V E -gh 346 306C 0 290,-2.9 292,-2.4 -2,-0.6 40,-0.1 -0.821 13.1-161.8 -91.4 117.5 32.6 48.1 21.2 56 86 A V E - h 0 307C 0 250,-2.2 252,-2.8 -2,-0.7 292,-0.1 -0.804 5.8-147.8-109.6 104.0 35.0 50.0 19.1 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.8 0, 0.0 2,-0.3 -0.418 29.6 159.6 -68.7 139.8 36.1 53.4 20.2 58 88 A H E -ih 97 309C 2 250,-1.9 252,-0.6 38,-0.2 2,-0.4 -0.951 31.0-149.5-154.1 166.4 36.8 55.9 17.5 59 89 A S E - h 0 310C 6 38,-0.5 2,-0.7 -2,-0.3 40,-0.3 -0.948 18.7-138.1-146.3 117.8 37.1 59.7 16.8 60 90 A H E - h 0 311C 1 250,-2.1 252,-3.0 -2,-0.4 2,-0.6 -0.700 24.2-175.8 -81.2 113.2 36.3 61.1 13.4 61 91 A N - 0 0 0 -2,-0.7 42,-0.2 250,-0.2 39,-0.1 -0.883 12.2-153.8-116.5 101.4 39.1 63.8 12.7 62 92 A D - 0 0 0 -2,-0.6 2,-2.9 1,-0.1 3,-0.1 -0.614 17.3-133.5 -75.9 123.2 38.5 65.7 9.5 63 93 A P S S- 0 0 0 0, 0.0 6,-0.3 0, 0.0 377,-0.1 -0.413 87.5 -21.5 -74.5 64.1 41.8 67.0 8.0 64 94 A G S S+ 0 0 0 -2,-2.9 4,-0.2 4,-0.4 378,-0.1 0.199 81.0 131.3 102.9 136.6 40.1 70.3 7.5 65 95 A W S S+ 0 0 28 2,-2.5 384,-3.0 -3,-0.1 387,-0.2 -0.317 90.7 1.4-172.2 -84.0 36.4 71.1 7.2 66 96 A I S S+ 0 0 59 382,-0.2 2,-0.3 -4,-0.1 385,-0.1 0.661 141.9 33.8 -96.9 -13.2 35.1 74.0 9.4 67 97 A Q S S- 0 0 45 384,-0.0 -2,-2.5 1,-0.0 382,-0.1 -0.855 99.4-102.0-122.2 164.7 38.7 74.6 10.7 68 98 A T > - 0 0 13 -2,-0.3 4,-2.9 -4,-0.2 -4,-0.4 -0.354 39.7 -98.3 -77.1 170.1 41.9 74.1 8.7 69 99 A F H > S+ 0 0 13 -6,-0.3 4,-2.5 1,-0.2 -5,-0.2 0.942 125.2 44.2 -51.6 -53.8 44.0 71.0 9.2 70 100 A E H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.866 111.3 52.5 -64.8 -39.1 46.4 72.9 11.5 71 101 A E H > S+ 0 0 64 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.936 113.1 44.4 -61.8 -48.5 43.7 74.7 13.5 72 102 A Y H X>S+ 0 0 7 -4,-2.9 4,-2.9 2,-0.2 5,-2.0 0.920 112.5 52.9 -60.4 -43.5 41.9 71.3 14.2 73 103 A Y H <>S+ 0 0 5 -4,-2.5 5,-2.5 -5,-0.3 6,-0.4 0.961 115.3 40.0 -57.8 -44.8 45.3 69.8 15.0 74 104 A Q H <5S+ 0 0 65 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.915 124.1 37.6 -70.3 -41.1 46.1 72.6 17.5 75 105 A H H <5S- 0 0 96 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.774 137.9 -7.7 -82.8 -29.2 42.6 72.8 19.0 76 106 A D T >X5S+ 0 0 23 -4,-2.9 4,-2.4 -5,-0.3 3,-0.6 0.672 117.0 58.0-130.6 -61.0 41.5 69.2 19.0 77 107 A T H 3> S+ 0 0 74 -3,-0.6 4,-3.0 -6,-0.4 5,-0.3 0.919 110.4 50.7 -73.7 -41.2 44.8 66.7 22.5 80 110 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.933 115.8 41.7 -60.8 -45.4 42.8 63.7 21.3 81 111 A L H X S+ 0 0 3 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.909 114.0 50.9 -72.1 -38.2 46.0 61.8 20.4 82 112 A S H X S+ 0 0 59 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.938 115.5 43.4 -62.2 -44.9 47.9 63.0 23.5 83 113 A N H X S+ 0 0 22 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.833 110.9 54.0 -70.1 -32.8 45.0 61.8 25.7 84 114 A A H X S+ 0 0 4 -4,-2.3 4,-2.7 -5,-0.3 5,-0.5 0.927 108.6 51.4 -64.7 -42.0 44.6 58.5 23.7 85 115 A L H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.978 115.8 40.4 -58.5 -49.8 48.3 57.8 24.3 86 116 A R H X S+ 0 0 126 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.942 117.3 46.0 -65.4 -49.1 47.9 58.4 28.0 87 117 A H H X S+ 0 0 6 -4,-3.0 4,-1.1 1,-0.2 7,-0.2 0.884 116.6 44.0 -65.5 -37.7 44.6 56.6 28.6 88 118 A L H < S+ 0 0 0 -4,-2.7 3,-0.3 -5,-0.3 -1,-0.2 0.893 112.1 53.1 -72.6 -41.8 45.5 53.6 26.5 89 119 A H H < S+ 0 0 91 -4,-2.4 -2,-0.2 -5,-0.5 -1,-0.2 0.975 116.7 40.1 -55.5 -46.2 48.9 53.4 28.1 90 120 A D H < S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.579 117.0 47.0 -79.2 -13.9 47.2 53.5 31.6 91 121 A N >< - 0 0 26 -4,-1.1 3,-2.1 -3,-0.3 -1,-0.2 -0.770 67.3-169.0-132.5 87.4 44.2 51.2 30.9 92 122 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.695 84.6 54.1 -51.3 -25.8 45.5 48.0 29.1 93 123 A E T 3 S+ 0 0 77 2,-0.0 253,-0.2 254,-0.0 2,-0.1 0.647 85.3 98.8 -86.5 -16.9 42.0 46.9 28.2 94 124 A M < - 0 0 1 -3,-2.1 2,-0.3 -7,-0.2 -3,-0.1 -0.454 56.0-164.8 -70.3 146.2 40.9 50.1 26.5 95 125 A K - 0 0 34 -40,-0.1 2,-0.3 252,-0.1 33,-0.2 -0.869 11.1-179.6-129.7 162.3 41.0 50.1 22.6 96 126 A F E - j 0 128C 0 31,-2.3 33,-2.8 -2,-0.3 2,-0.3 -0.961 15.1-145.9-162.8 142.1 40.9 52.9 20.0 97 127 A I E -ij 58 129C 3 -40,-1.8 -38,-0.5 -2,-0.3 2,-0.4 -0.893 11.6-161.5-114.6 147.6 41.1 53.0 16.1 98 128 A W E + j 0 130C 0 31,-2.3 33,-2.5 -2,-0.3 35,-0.2 -0.997 14.0 172.9-131.4 132.0 42.7 55.7 14.1 99 129 A A + 0 0 6 -2,-0.4 2,-1.0 -40,-0.3 34,-0.4 0.847 57.5 71.6-103.3 -46.6 42.0 56.5 10.4 100 130 A E >> - 0 0 3 1,-0.2 4,-1.6 33,-0.1 3,-0.5 -0.636 47.8-179.2 -88.1 101.9 43.7 59.7 9.3 101 131 A I H 3> S+ 0 0 0 33,-2.6 4,-3.4 -2,-1.0 5,-0.4 0.788 75.4 71.8 -71.9 -24.8 47.4 59.4 9.2 102 132 A S H 3> S+ 0 0 3 33,-2.4 4,-1.7 32,-0.4 -1,-0.2 0.945 107.4 39.1 -52.9 -48.1 48.0 63.0 8.1 103 133 A Y H <> S+ 0 0 0 -3,-0.5 4,-2.3 32,-0.4 -1,-0.2 0.899 115.7 52.1 -67.4 -41.1 47.1 64.0 11.7 104 134 A F H X S+ 0 0 0 -4,-1.6 4,-3.3 1,-0.2 5,-0.2 0.923 109.8 47.1 -64.8 -41.8 48.9 61.0 13.2 105 135 A A H X S+ 0 0 6 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.894 110.9 53.5 -63.6 -41.6 52.2 61.7 11.4 106 136 A R H X S+ 0 0 65 -4,-1.7 4,-0.8 -5,-0.4 -2,-0.2 0.910 115.7 40.9 -58.2 -44.2 51.9 65.4 12.4 107 137 A F H >X S+ 0 0 10 -4,-2.3 3,-0.7 2,-0.2 4,-0.7 0.953 114.0 49.9 -69.7 -53.6 51.4 64.4 16.1 108 138 A Y H >< S+ 0 0 6 -4,-3.3 3,-1.4 1,-0.3 -2,-0.2 0.894 105.8 56.2 -56.9 -42.4 54.0 61.6 16.2 109 139 A H H 3< S+ 0 0 141 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.844 107.9 49.4 -62.2 -32.0 56.7 63.7 14.7 110 140 A D H << S+ 0 0 93 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.517 91.2 104.1 -81.3 -8.6 56.2 66.2 17.5 111 141 A L S << S- 0 0 25 -3,-1.4 2,-0.1 -4,-0.7 -3,-0.0 -0.469 74.9-116.8 -75.5 143.8 56.4 63.6 20.3 112 142 A G > - 0 0 48 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.372 35.0-102.2 -72.8 163.7 59.4 63.2 22.4 113 143 A E H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.866 120.4 56.4 -57.0 -38.3 61.2 59.9 22.2 114 144 A N H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.963 111.9 43.0 -60.7 -46.8 59.9 58.5 25.4 115 145 A K H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.829 109.2 57.3 -67.2 -35.2 56.3 59.1 24.2 116 146 A K H X S+ 0 0 41 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.926 108.3 48.2 -62.1 -42.3 57.1 57.7 20.7 117 147 A L H X S+ 0 0 96 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.892 111.4 49.5 -63.5 -41.9 58.2 54.5 22.4 118 148 A Q H X S+ 0 0 40 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.902 111.7 49.0 -63.6 -40.2 55.0 54.4 24.4 119 149 A M H X S+ 0 0 2 -4,-2.6 4,-1.5 2,-0.2 5,-0.2 0.916 108.9 51.6 -64.4 -45.0 52.9 55.0 21.3 120 150 A K H X S+ 0 0 76 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.896 109.4 54.2 -60.8 -34.7 54.7 52.2 19.4 121 151 A S H X S+ 0 0 66 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.904 106.3 46.4 -67.9 -43.6 54.0 50.0 22.3 122 152 A I H <>S+ 0 0 4 -4,-1.9 6,-2.3 2,-0.2 5,-0.9 0.716 117.3 46.8 -75.4 -16.3 50.2 50.5 22.5 123 153 A V H ><5S+ 0 0 11 -4,-1.5 3,-1.9 4,-0.2 -2,-0.2 0.901 112.5 48.3 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