==== 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 01-DEC-05 2F7Q . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.A.KUNTZ,D.R.ROSE . 1014 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 666 65.7 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 . 86 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 8.9 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 . 9 0.9 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 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 0 126 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 133.2 43.4 37.3 -18.4 2 32 A Q - 0 0 52 1001,-0.1 2,-0.5 1,-0.1 220,-0.0 -0.357 360.0-116.3 -67.5 151.4 39.7 37.5 -17.6 3 33 A D - 0 0 57 1,-0.1 4,-0.3 -2,-0.1 220,-0.3 -0.768 27.5-169.3 -88.5 126.6 37.5 38.9 -20.4 4 34 A V S S+ 0 0 4 -2,-0.5 -1,-0.1 2,-0.1 877,-0.1 0.392 77.2 45.8-102.5 8.0 36.0 42.1 -18.9 5 35 A V S S+ 0 0 13 869,-0.1 871,-0.5 870,-0.1 876,-0.1 0.811 109.0 40.9-111.0 -44.7 33.5 42.7 -21.7 6 36 A Q S S+ 0 0 123 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.564 96.3 66.8 -92.6 -14.8 31.6 39.5 -22.6 7 37 A D S S- 0 0 78 -4,-0.3 -1,-0.1 214,-0.2 216,-0.1 -0.932 70.9-142.9-113.9 115.2 30.8 37.6 -19.4 8 38 A V - 0 0 55 -2,-0.6 213,-0.1 1,-0.1 871,-0.1 -0.572 29.0-118.1 -73.0 119.4 28.2 39.2 -17.2 9 39 A P - 0 0 11 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.262 17.7-132.8 -58.1 144.5 29.3 38.5 -13.6 10 40 A N + 0 0 141 213,-0.4 2,-0.3 -3,-0.0 3,-0.0 -0.847 40.9 162.5 -97.9 108.4 26.8 36.5 -11.6 11 41 A V - 0 0 20 -2,-0.8 3,-0.1 1,-0.1 359,-0.1 -0.889 47.3-127.5-125.8 158.5 26.5 38.3 -8.2 12 42 A D S S+ 0 0 103 -2,-0.3 2,-0.4 1,-0.2 358,-0.2 0.875 101.8 26.2 -70.0 -36.6 23.9 38.2 -5.5 13 43 A V E -a 370 0A 7 356,-2.0 358,-2.2 -3,-0.0 2,-0.5 -0.992 64.0-178.8-129.7 121.4 23.4 42.0 -5.4 14 44 A Q E > -a 371 0A 28 -2,-0.4 4,-2.9 356,-0.2 3,-0.4 -0.983 23.1-144.2-119.3 117.5 24.1 44.1 -8.5 15 45 A M H > S+ 0 0 4 356,-2.6 4,-2.4 -2,-0.5 357,-0.1 0.784 95.6 50.2 -59.4 -34.3 23.5 47.7 -7.6 16 46 A L H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.918 114.4 47.1 -67.8 -38.0 22.0 48.9 -10.9 17 47 A E H > S+ 0 0 85 -3,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.926 111.4 51.2 -69.9 -40.8 19.6 45.9 -10.9 18 48 A L H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 3,-0.4 0.946 109.0 51.2 -59.5 -43.1 18.8 46.7 -7.2 19 49 A Y H < S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.869 105.5 54.9 -62.9 -38.6 18.0 50.3 -8.1 20 50 A D H < S+ 0 0 81 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.873 116.4 38.5 -63.5 -35.6 15.7 49.3 -11.0 21 51 A R H < S+ 0 0 132 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.808 94.9 94.1 -86.4 -34.1 13.6 47.2 -8.5 22 52 A M < - 0 0 8 -4,-2.5 181,-0.0 -5,-0.2 180,-0.0 -0.300 59.6-151.9 -65.0 146.7 13.6 49.3 -5.3 23 53 A S - 0 0 85 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.656 16.6-148.9 -92.7 -17.3 10.8 51.7 -4.6 24 54 A F + 0 0 21 1,-0.2 2,-0.3 178,-0.1 178,-0.1 0.744 29.6 171.2 55.7 29.3 12.7 54.2 -2.5 25 55 A K - 0 0 151 1,-0.1 2,-1.3 177,-0.1 -1,-0.2 -0.513 29.2-143.6 -72.7 135.8 9.6 55.1 -0.4 26 56 A D + 0 0 81 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.615 35.2 165.2 -96.4 82.5 10.6 57.3 2.5 27 57 A I - 0 0 92 -2,-1.3 2,-0.6 7,-0.1 -2,-0.0 -0.695 46.7-104.0-102.9 154.8 8.2 56.0 5.2 28 58 A D - 0 0 114 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.602 33.8-172.7 -70.2 111.3 8.5 56.6 8.8 29 59 A G - 0 0 11 4,-2.5 3,-0.5 -2,-0.6 2,-0.3 0.393 40.4-110.5 -90.8 7.3 9.8 53.4 10.2 30 60 A G S S- 0 0 25 3,-0.2 -1,-0.3 1,-0.2 5,-0.1 -0.816 83.1 -8.5 103.6-145.7 9.4 54.3 13.9 31 61 A V S S+ 0 0 60 -2,-0.3 2,-1.5 1,-0.3 -1,-0.2 0.906 137.3 58.1 -60.7 -34.0 12.4 54.9 16.2 32 62 A W S > S- 0 0 14 -3,-0.5 3,-1.8 1,-0.2 -1,-0.3 -0.752 87.2-165.4 -91.1 94.8 14.5 53.7 13.3 33 63 A K T 3 S+ 0 0 123 -2,-1.5 -4,-2.5 1,-0.3 -3,-0.2 0.800 80.7 34.5 -54.7 -34.0 13.1 56.4 11.1 34 64 A Q T 3 S+ 0 0 25 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.2 0.304 123.4 41.0-108.0 12.3 14.4 54.9 7.9 35 65 A G S < S- 0 0 1 -3,-1.8 2,-0.3 212,-0.1 -8,-0.1 0.126 88.0 -96.4-123.3-122.9 14.0 51.3 8.8 36 66 A W - 0 0 69 -2,-0.0 2,-0.9 169,-0.0 -7,-0.1 -0.916 49.4 -71.9-158.0 170.0 11.3 49.2 10.7 37 67 A N - 0 0 95 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.645 55.2-140.5 -73.5 107.1 10.8 48.0 14.3 38 68 A I - 0 0 9 -2,-0.9 2,-0.3 1,-0.0 256,-0.1 -0.502 19.6-168.8 -74.2 140.7 13.4 45.2 14.5 39 69 A K - 0 0 162 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.914 4.0-175.1-124.7 149.3 12.3 42.1 16.4 40 70 A Y - 0 0 63 -2,-0.3 254,-0.1 256,-0.0 3,-0.0 -0.939 30.7-112.1-141.0 161.4 14.5 39.2 17.6 41 71 A D > - 0 0 91 -2,-0.3 3,-2.5 1,-0.1 4,-0.3 -0.867 20.9-148.5 -92.7 113.4 14.0 35.9 19.2 42 72 A P G > S+ 0 0 86 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.802 95.1 63.6 -56.4 -18.7 15.5 36.0 22.7 43 73 A L G 3 S+ 0 0 135 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.532 76.1 89.0 -83.8 -1.5 16.4 32.4 22.4 44 74 A K G < S+ 0 0 64 -3,-2.5 2,-0.4 2,-0.0 -1,-0.2 0.874 88.3 48.9 -61.8 -37.1 18.8 32.9 19.5 45 75 A Y S < S+ 0 0 7 -3,-0.7 2,-0.3 -4,-0.3 5,-0.2 -0.830 72.1 147.1-104.3 142.3 21.7 33.4 21.8 46 76 A N B > -F 49 0B 68 3,-1.7 3,-1.9 -2,-0.4 293,-0.0 -0.904 64.1 -64.7-158.3-177.1 22.4 31.0 24.7 47 77 A A T 3 S+ 0 0 74 1,-0.3 3,-0.3 -2,-0.3 -2,-0.0 0.803 133.1 43.1 -52.6 -32.4 25.3 29.5 26.6 48 78 A H T 3 S+ 0 0 180 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.564 122.6 36.7 -93.4 -2.8 26.6 27.7 23.6 49 79 A H B < S+F 46 0B 61 -3,-1.9 -3,-1.7 2,-0.0 -1,-0.3 -0.717 75.7 176.7-149.5 84.8 26.1 30.6 21.2 50 80 A K - 0 0 70 -3,-0.3 2,-0.6 -2,-0.2 292,-0.2 -0.545 34.8-113.8 -91.0 162.7 26.8 34.0 22.6 51 81 A L E -g 342 0C 0 290,-2.3 292,-2.4 -2,-0.2 2,-0.6 -0.846 29.0-152.1 -92.1 115.6 26.7 37.4 20.9 52 82 A K E -gh 343 303C 74 250,-3.2 252,-3.2 -2,-0.6 2,-0.5 -0.842 13.5-163.3 -91.1 123.8 30.3 38.7 20.9 53 83 A V E -gh 344 304C 0 290,-2.7 292,-1.9 -2,-0.6 2,-0.6 -0.916 9.6-164.2-114.6 128.5 30.2 42.5 20.9 54 84 A F E -gh 345 305C 22 250,-3.3 252,-2.9 -2,-0.5 2,-0.7 -0.939 4.6-160.6-111.5 115.6 33.2 44.7 20.0 55 85 A V E -gh 346 306C 0 290,-3.0 292,-2.3 -2,-0.6 40,-0.2 -0.845 12.4-161.6 -93.8 119.2 32.9 48.4 21.1 56 86 A V E - h 0 307C 0 250,-2.6 252,-2.8 -2,-0.7 292,-0.1 -0.830 5.4-147.9-113.6 103.1 35.4 50.3 18.9 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.9 0, 0.0 2,-0.3 -0.419 30.1 160.3 -67.7 141.4 36.4 53.8 20.2 58 88 A H E -ih 97 309C 1 250,-2.0 252,-0.6 38,-0.2 2,-0.4 -0.961 32.3-147.1-156.8 166.2 37.2 56.3 17.4 59 89 A S E - h 0 310C 6 38,-0.5 2,-0.7 -2,-0.3 40,-0.3 -0.933 17.4-140.2-146.0 114.7 37.5 60.0 16.7 60 90 A H E - h 0 311C 1 250,-2.0 252,-2.7 -2,-0.4 2,-0.6 -0.678 24.3-175.5 -80.2 110.4 36.7 61.4 13.3 61 91 A N - 0 0 0 -2,-0.7 42,-0.1 250,-0.2 39,-0.1 -0.899 13.3-151.4-113.8 106.5 39.3 64.1 12.6 62 92 A D - 0 0 1 -2,-0.6 2,-3.1 1,-0.1 3,-0.1 -0.602 15.6-136.3 -77.6 125.0 38.9 66.1 9.4 63 93 A P S S- 0 0 0 0, 0.0 6,-0.4 0, 0.0 377,-0.1 -0.391 88.9 -20.3 -75.2 62.3 42.2 67.3 7.9 64 94 A G S S+ 0 0 0 -2,-3.1 4,-0.2 4,-0.4 378,-0.1 0.185 82.5 126.9 106.2 134.3 40.4 70.7 7.3 65 95 A W S S+ 0 0 33 2,-2.5 384,-2.9 -3,-0.1 387,-0.2 -0.284 90.6 6.5-171.5 -85.6 36.7 71.5 7.2 66 96 A I S S+ 0 0 43 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.659 142.0 27.9 -86.2 -22.8 35.4 74.3 9.5 67 97 A Q S S- 0 0 46 1,-0.1 -2,-2.5 384,-0.0 382,-0.1 -0.857 98.5 -97.3-127.3 164.1 39.0 75.0 10.5 68 98 A T > - 0 0 14 -2,-0.3 4,-2.9 -4,-0.2 -4,-0.4 -0.303 40.7-100.9 -76.4 165.9 42.2 74.5 8.6 69 99 A F H > S+ 0 0 13 -6,-0.4 4,-2.4 1,-0.2 -5,-0.2 0.945 125.0 45.0 -47.5 -53.1 44.4 71.4 9.1 70 100 A E H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.889 111.2 51.9 -66.5 -36.3 46.7 73.4 11.3 71 101 A E H > S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.935 113.4 44.9 -65.3 -45.6 44.0 75.1 13.3 72 102 A Y H X>S+ 0 0 11 -4,-2.9 4,-2.8 2,-0.2 5,-2.2 0.897 112.0 53.1 -60.9 -42.7 42.3 71.7 14.1 73 103 A Y H <>S+ 0 0 6 -4,-2.4 5,-2.5 -5,-0.3 6,-0.3 0.959 115.0 40.0 -58.0 -46.9 45.7 70.2 14.9 74 104 A Q H <5S+ 0 0 66 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.894 124.3 37.1 -69.5 -41.0 46.5 73.0 17.4 75 105 A H H <5S- 0 0 97 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.788 137.7 -7.2 -85.0 -29.5 43.0 73.2 18.9 76 106 A D T >X5S+ 0 0 23 -4,-2.8 4,-2.4 -5,-0.3 3,-0.6 0.655 117.3 56.8-131.1 -57.4 41.9 69.6 18.9 77 107 A T H 3> S+ 0 0 75 -3,-0.6 4,-2.8 -6,-0.3 5,-0.3 0.873 110.4 52.3 -75.8 -38.9 45.2 67.0 22.4 80 110 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.941 115.3 41.1 -60.4 -46.0 43.2 64.0 21.2 81 111 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.907 113.8 51.5 -71.1 -38.2 46.4 62.1 20.3 82 112 A S H X S+ 0 0 57 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.927 114.9 43.1 -62.5 -43.7 48.3 63.2 23.4 83 113 A N H X S+ 0 0 26 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.865 110.7 55.5 -73.1 -32.3 45.4 62.1 25.6 84 114 A A H X S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.3 5,-0.5 0.916 107.4 50.8 -60.7 -43.8 45.0 58.9 23.6 85 115 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.980 115.8 41.0 -57.6 -50.0 48.7 58.1 24.2 86 116 A R H X S+ 0 0 126 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.946 117.6 46.0 -63.9 -49.6 48.3 58.7 28.0 87 117 A H H X S+ 0 0 6 -4,-3.2 4,-0.9 1,-0.2 -1,-0.2 0.869 115.3 44.4 -66.8 -38.3 45.0 56.9 28.4 88 118 A L H >< S+ 0 0 0 -4,-2.7 3,-0.6 -5,-0.3 -1,-0.2 0.905 111.9 54.0 -70.1 -42.4 45.8 53.8 26.4 89 119 A H H 3< S+ 0 0 90 -4,-2.5 -2,-0.2 -5,-0.5 -1,-0.2 0.968 115.2 40.9 -54.7 -46.8 49.2 53.6 28.1 90 120 A D H 3< S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.592 115.8 49.0 -77.5 -13.0 47.5 53.6 31.5 91 121 A N X< - 0 0 32 -4,-0.9 3,-2.4 -3,-0.6 -1,-0.2 -0.759 67.5-167.3-133.9 86.1 44.4 51.4 30.7 92 122 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.660 84.7 48.9 -47.3 -30.9 45.6 48.2 29.0 93 123 A E T 3 S+ 0 0 145 2,-0.1 253,-0.2 254,-0.0 2,-0.2 0.540 86.6 100.5 -91.7 -8.6 42.2 47.0 27.9 94 124 A M < - 0 0 2 -3,-2.4 2,-0.3 -6,-0.2 -3,-0.1 -0.555 55.7-166.1 -75.6 146.9 41.1 50.3 26.3 95 125 A K - 0 0 36 -2,-0.2 2,-0.3 -40,-0.2 33,-0.2 -0.842 12.0-177.0-129.4 165.1 41.4 50.5 22.5 96 126 A F E - j 0 128C 1 31,-2.2 33,-2.7 -2,-0.3 2,-0.4 -0.959 14.6-144.5-163.0 142.5 41.2 53.1 19.9 97 127 A I E -ij 58 129C 2 -40,-1.9 -38,-0.5 -2,-0.3 2,-0.4 -0.883 12.3-162.6-112.4 146.4 41.4 53.2 16.1 98 128 A W E + j 0 130C 1 31,-2.3 33,-2.5 -2,-0.4 35,-0.2 -0.995 14.8 170.8-130.1 130.7 43.0 56.0 14.1 99 129 A A + 0 0 6 -2,-0.4 2,-1.0 -40,-0.3 34,-0.4 0.841 56.0 75.3-104.6 -39.5 42.5 56.7 10.4 100 130 A E >> + 0 0 3 1,-0.2 4,-1.7 33,-0.1 3,-0.5 -0.644 46.2 179.2 -90.2 99.5 44.1 60.0 9.3 101 131 A I H 3> S+ 0 0 0 33,-2.5 4,-3.6 -2,-1.0 5,-0.4 0.801 75.7 70.5 -70.9 -26.2 47.9 59.7 9.0 102 132 A S H 3> S+ 0 0 3 33,-2.4 4,-1.6 32,-0.3 -1,-0.2 0.939 108.3 38.4 -52.2 -47.5 48.4 63.3 7.9 103 133 A Y H <> S+ 0 0 0 -3,-0.5 4,-2.2 32,-0.4 -1,-0.2 0.901 115.2 53.3 -70.2 -41.7 47.5 64.3 11.5 104 134 A F H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.915 109.8 46.6 -63.5 -41.2 49.3 61.3 13.1 105 135 A A H X S+ 0 0 4 -4,-3.6 4,-2.3 1,-0.2 -1,-0.2 0.898 110.3 53.8 -67.3 -40.4 52.6 62.1 11.4 106 136 A R H X S+ 0 0 61 -4,-1.6 4,-0.7 -5,-0.4 -1,-0.2 0.900 115.7 41.3 -56.0 -43.9 52.3 65.8 12.3 107 137 A F H >X S+ 0 0 10 -4,-2.2 3,-1.1 1,-0.2 4,-0.7 0.960 112.6 52.0 -69.0 -55.4 51.8 64.8 16.0 108 138 A Y H >< S+ 0 0 5 -4,-2.9 3,-0.9 1,-0.3 -2,-0.2 0.842 104.9 54.5 -55.5 -40.3 54.4 62.0 16.1 109 139 A H H 3< S+ 0 0 83 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.790 107.1 52.5 -71.5 -19.0 57.2 64.1 14.7 110 140 A D H << S+ 0 0 104 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.565 90.8 101.1 -86.1 -10.0 56.6 66.7 17.5 111 141 A L S << S- 0 0 24 -3,-0.9 2,-0.1 -4,-0.7 -3,-0.0 -0.431 76.2-117.9 -73.7 146.1 56.8 64.0 20.3 112 142 A G > - 0 0 48 -2,-0.1 4,-2.4 1,-0.1 3,-0.3 -0.392 35.4 -99.6 -77.9 166.7 59.9 63.6 22.3 113 143 A E H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.844 120.6 55.7 -56.3 -35.8 61.7 60.3 22.1 114 144 A N H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.940 112.1 42.8 -66.6 -41.4 60.3 58.9 25.3 115 145 A K H > S+ 0 0 90 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.852 108.9 58.3 -72.0 -35.2 56.7 59.4 24.1 116 146 A K H X S+ 0 0 33 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.908 108.7 47.9 -61.6 -38.5 57.5 58.1 20.5 117 147 A L H X S+ 0 0 95 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.893 110.2 49.4 -69.5 -41.8 58.6 54.9 22.3 118 148 A Q H X S+ 0 0 36 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.889 112.2 49.9 -62.8 -34.8 55.4 54.7 24.4 119 149 A M H X S+ 0 0 1 -4,-2.5 4,-1.3 1,-0.2 5,-0.2 0.921 109.0 50.9 -70.0 -41.8 53.3 55.3 21.2 120 150 A K H X S+ 0 0 80 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.863 109.0 53.4 -64.1 -32.9 55.1 52.6 19.3 121 151 A S H X S+ 0 0 55 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.886 107.2 48.1 -70.5 -37.9 54.4 50.2 22.2 122 152 A I H <>S+ 0 0 2 -4,-1.7 6,-2.1 2,-0.2 5,-1.2 0.717 115.4 46.3 -76.3 -18.2 50.7 50.8 22.3 123 153 A V H ><5S+ 0 0 12 -4,-1.3 3,-1.6 4,-0.2 -2,-0.2 0.891 112.0 51.0 -81.7 -43.9 50.5 50.2 18.6 124 154 A K H 3<5S+ 0 0 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