==== 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 14-NOV-05 2F1B . 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) . 36676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 653 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 4.7 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 . 4 0.4 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 . 78 7.7 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 . 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 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 2 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 6 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 . 0 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 0 125 0, 0.0 2,-0.1 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 137.0 43.8 37.7 -18.8 2 32 A Q - 0 0 66 1001,-0.1 2,-0.7 1,-0.1 220,-0.0 -0.409 360.0-116.7 -67.0 147.5 40.1 37.9 -18.0 3 33 A D > - 0 0 55 1,-0.1 4,-0.6 -2,-0.1 220,-0.2 -0.770 27.7-170.7 -87.0 112.5 37.8 39.3 -20.7 4 34 A V T 4 S+ 0 0 4 -2,-0.7 -1,-0.1 1,-0.1 877,-0.1 0.440 77.2 44.9 -87.9 2.3 36.3 42.5 -19.2 5 35 A V T 4 S+ 0 0 16 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.814 110.0 39.7-108.5 -44.9 33.8 43.0 -22.0 6 36 A Q T 4 S+ 0 0 128 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.522 97.0 71.1 -94.1 -11.1 32.0 39.8 -23.0 7 37 A D < - 0 0 78 -4,-0.6 -1,-0.1 214,-0.2 216,-0.1 -0.911 68.0-148.3-112.7 107.0 31.2 38.0 -19.7 8 38 A V - 0 0 59 -2,-0.6 213,-0.1 1,-0.1 871,-0.1 -0.552 28.5-120.7 -71.3 119.8 28.6 39.6 -17.4 9 39 A P - 0 0 15 0, 0.0 2,-0.7 0, 0.0 214,-0.1 -0.282 14.3-132.3 -62.1 146.8 29.6 38.8 -13.8 10 40 A N + 0 0 143 213,-0.4 2,-0.3 2,-0.0 3,-0.0 -0.876 40.4 160.7-101.1 110.1 27.1 36.8 -11.7 11 41 A V - 0 0 21 -2,-0.7 3,-0.1 1,-0.1 359,-0.1 -0.932 47.4-126.9-126.3 158.1 26.7 38.6 -8.3 12 42 A D S S+ 0 0 107 -2,-0.3 2,-0.4 357,-0.3 358,-0.2 0.859 101.4 26.7 -71.3 -36.2 24.1 38.5 -5.6 13 43 A V E -a 370 0A 9 356,-1.7 358,-2.0 -3,-0.0 2,-0.5 -0.992 63.5-179.9-130.6 122.1 23.7 42.3 -5.5 14 44 A Q E > -a 371 0A 29 -2,-0.4 4,-2.6 356,-0.2 3,-0.4 -0.986 23.2-144.7-120.5 117.3 24.3 44.5 -8.6 15 45 A M H > S+ 0 0 7 356,-2.6 4,-2.5 -2,-0.5 357,-0.1 0.791 95.2 51.8 -60.6 -32.1 23.7 48.1 -7.7 16 46 A L H > S+ 0 0 36 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.914 114.3 45.9 -68.1 -39.7 22.2 49.3 -11.1 17 47 A E H > S+ 0 0 87 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.925 111.6 51.8 -68.9 -40.9 19.8 46.4 -11.0 18 48 A L H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 3,-0.3 0.936 108.3 51.5 -59.4 -47.0 18.9 47.1 -7.4 19 49 A Y H < S+ 0 0 23 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 105.7 55.1 -58.2 -37.1 18.2 50.7 -8.2 20 50 A D H < S+ 0 0 81 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.873 115.8 38.4 -64.7 -36.9 15.8 49.7 -11.1 21 51 A R H < S+ 0 0 137 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.804 95.6 94.5 -83.4 -35.4 13.7 47.5 -8.7 22 52 A M < - 0 0 9 -4,-2.5 181,-0.0 -5,-0.2 180,-0.0 -0.164 58.8-151.7 -62.1 148.8 13.7 49.7 -5.5 23 53 A S - 0 0 82 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.637 16.2-149.3 -92.8 -20.7 10.9 52.1 -4.7 24 54 A F + 0 0 22 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.732 29.8 170.7 57.7 27.7 12.8 54.7 -2.6 25 55 A K - 0 0 156 1,-0.1 2,-1.1 177,-0.1 -1,-0.2 -0.487 29.9-142.0 -71.2 137.8 9.7 55.6 -0.4 26 56 A D + 0 0 84 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.647 35.8 164.7 -99.0 78.7 10.6 57.7 2.5 27 57 A I - 0 0 100 -2,-1.1 2,-0.7 7,-0.1 -2,-0.0 -0.704 45.9-104.8-101.1 153.3 8.3 56.4 5.3 28 58 A D - 0 0 115 -2,-0.3 6,-0.2 1,-0.1 5,-0.1 -0.594 32.9-173.7 -71.7 110.3 8.5 57.0 9.0 29 59 A G - 0 0 14 4,-2.8 3,-0.4 -2,-0.7 2,-0.3 0.365 41.1-109.5 -88.9 3.4 9.9 53.7 10.4 30 60 A G S S- 0 0 28 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.823 82.9 -10.0 105.2-148.1 9.5 54.6 14.1 31 61 A V S S+ 0 0 70 -2,-0.3 2,-1.4 1,-0.2 -1,-0.2 0.848 137.2 58.8 -59.1 -33.5 12.4 55.4 16.4 32 62 A W S > S- 0 0 16 -3,-0.4 3,-1.7 1,-0.2 -1,-0.2 -0.798 88.2-164.8 -90.2 94.7 14.7 54.1 13.5 33 63 A K T 3 S+ 0 0 127 -2,-1.4 -4,-2.8 1,-0.3 -3,-0.3 0.790 80.1 33.9 -54.9 -38.8 13.2 56.8 11.3 34 64 A Q T 3 S+ 0 0 27 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.1 0.223 123.6 42.2-105.2 17.4 14.4 55.3 8.0 35 65 A G S < S- 0 0 1 -3,-1.7 2,-0.3 212,-0.1 -8,-0.1 0.088 87.4 -96.7-125.1-127.7 14.1 51.6 9.0 36 66 A W - 0 0 72 -2,-0.1 2,-1.0 169,-0.0 -7,-0.1 -0.917 47.6 -71.6-155.4 172.5 11.5 49.6 10.9 37 67 A N - 0 0 115 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.651 55.5-139.7 -76.0 105.0 10.9 48.3 14.5 38 68 A I - 0 0 14 -2,-1.0 2,-0.3 1,-0.0 256,-0.1 -0.455 19.0-166.7 -72.6 134.0 13.5 45.5 14.8 39 69 A K - 0 0 178 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.875 6.2-178.0-116.0 151.8 12.4 42.3 16.6 40 70 A Y - 0 0 65 -2,-0.3 254,-0.1 256,-0.0 3,-0.1 -0.969 31.5-113.6-145.6 158.9 14.6 39.5 17.8 41 71 A D > - 0 0 94 -2,-0.3 3,-2.5 1,-0.1 4,-0.3 -0.857 19.5-149.8 -94.5 113.2 14.2 36.1 19.5 42 72 A P G > S+ 0 0 84 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.808 95.0 64.4 -54.2 -24.8 15.7 36.3 23.1 43 73 A L G 3 S+ 0 0 139 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.527 76.7 87.8 -78.6 -2.3 16.5 32.6 22.8 44 74 A K G < S+ 0 0 67 -3,-2.5 2,-0.4 2,-0.0 -1,-0.2 0.873 88.9 47.5 -62.3 -40.0 19.0 33.1 19.8 45 75 A Y S < S+ 0 0 9 -3,-0.7 2,-0.3 -4,-0.3 5,-0.2 -0.822 74.6 145.9-102.3 144.2 22.0 33.7 22.1 46 76 A N B > -F 49 0B 65 3,-1.9 3,-2.0 -2,-0.4 293,-0.0 -0.912 64.4 -60.2-160.5-175.5 22.5 31.3 25.1 47 77 A A T 3 S+ 0 0 74 1,-0.3 3,-0.2 -2,-0.3 -2,-0.0 0.840 133.8 40.3 -49.5 -35.0 25.3 29.6 27.1 48 78 A H T 3 S+ 0 0 182 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.448 122.6 38.2 -96.3 0.1 26.8 27.9 24.0 49 79 A H B < S+F 46 0B 62 -3,-2.0 -3,-1.9 2,-0.0 -1,-0.2 -0.709 75.6 177.8-151.1 88.8 26.3 30.8 21.5 50 80 A K - 0 0 85 -3,-0.2 2,-0.6 -2,-0.2 292,-0.2 -0.605 33.4-114.1 -96.0 158.7 27.0 34.2 23.0 51 81 A L E -g 342 0C 0 290,-2.4 292,-2.4 -2,-0.2 2,-0.6 -0.812 28.1-151.2 -88.3 120.1 27.0 37.6 21.3 52 82 A K E -gh 343 303C 67 250,-3.0 252,-3.2 -2,-0.6 2,-0.5 -0.869 13.1-163.8 -97.8 120.3 30.5 39.1 21.3 53 83 A V E -gh 344 304C 0 290,-2.4 292,-2.2 -2,-0.6 2,-0.6 -0.925 8.8-165.1-111.7 125.7 30.4 42.9 21.3 54 84 A F E -gh 345 305C 5 250,-2.9 252,-2.8 -2,-0.5 2,-0.6 -0.935 4.9-161.1-111.2 112.5 33.5 45.1 20.4 55 85 A V E -gh 346 306C 0 290,-2.6 292,-2.6 -2,-0.6 40,-0.1 -0.854 12.1-162.2 -92.6 120.8 33.1 48.8 21.4 56 86 A V E - h 0 307C 0 250,-2.2 252,-2.6 -2,-0.6 2,-0.1 -0.864 6.7-147.1-113.9 101.3 35.7 50.7 19.3 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.9 0, 0.0 2,-0.3 -0.451 30.1 162.9 -67.7 140.0 36.7 54.2 20.6 58 88 A H E -ih 97 309C 2 250,-1.9 252,-0.6 38,-0.2 2,-0.4 -0.955 31.0-148.7-154.0 164.1 37.5 56.7 17.7 59 89 A S E - h 0 310C 7 38,-0.5 2,-0.7 -2,-0.3 40,-0.3 -0.943 16.9-141.3-143.5 113.2 37.8 60.5 17.0 60 90 A H E - h 0 311C 2 250,-2.0 252,-2.8 -2,-0.4 2,-0.7 -0.687 22.7-173.6 -81.1 112.0 37.0 61.9 13.5 61 91 A N - 0 0 0 -2,-0.7 42,-0.1 250,-0.2 250,-0.0 -0.875 12.0-152.1-113.2 103.5 39.6 64.6 12.8 62 92 A D - 0 0 1 -2,-0.7 2,-2.4 1,-0.1 3,-0.1 -0.604 14.2-137.2 -74.6 125.1 39.0 66.7 9.7 63 93 A P S S- 0 0 0 0, 0.0 6,-0.3 0, 0.0 377,-0.1 -0.412 86.3 -18.9 -79.3 64.9 42.4 68.0 8.1 64 94 A G S S+ 0 0 0 -2,-2.4 4,-0.2 4,-0.3 378,-0.2 0.202 82.9 125.5 104.5 134.6 40.7 71.4 7.5 65 95 A W S S+ 0 0 33 2,-2.3 384,-2.6 -3,-0.1 387,-0.2 -0.304 90.5 6.3-171.7 -85.2 36.9 72.2 7.4 66 96 A I S S+ 0 0 48 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.665 141.9 26.9 -84.3 -27.0 35.7 75.1 9.7 67 97 A Q S S- 0 0 47 1,-0.0 -2,-2.3 384,-0.0 382,-0.1 -0.848 98.2 -96.9-126.7 163.4 39.3 75.8 10.7 68 98 A T > - 0 0 14 -2,-0.3 4,-2.7 -4,-0.2 -4,-0.3 -0.341 41.2-100.4 -74.5 167.3 42.6 75.2 8.8 69 99 A F H > S+ 0 0 15 -6,-0.3 4,-2.3 1,-0.2 -5,-0.2 0.935 124.9 45.0 -48.6 -53.4 44.7 72.0 9.3 70 100 A E H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 111.0 52.9 -66.8 -35.2 47.1 74.0 11.6 71 101 A E H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.941 112.3 44.7 -65.6 -46.9 44.4 75.7 13.6 72 102 A Y H X>S+ 0 0 11 -4,-2.7 4,-2.5 1,-0.2 5,-2.1 0.886 111.3 54.7 -63.7 -36.2 42.6 72.4 14.4 73 103 A Y H <>S+ 0 0 6 -4,-2.3 5,-2.3 -5,-0.3 6,-0.3 0.948 113.7 40.7 -61.9 -44.1 46.0 70.8 15.2 74 104 A Q H <5S+ 0 0 66 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.888 123.7 36.9 -71.9 -38.0 46.8 73.6 17.8 75 105 A H H <5S- 0 0 99 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.822 137.6 -5.8 -86.4 -32.7 43.3 73.9 19.3 76 106 A D T >X5S+ 0 0 25 -4,-2.5 4,-2.0 -5,-0.3 3,-0.6 0.721 117.0 56.3-127.4 -56.5 42.2 70.2 19.3 77 107 A T H 3> S+ 0 0 76 -3,-0.6 4,-2.5 -6,-0.3 5,-0.3 0.864 110.0 53.1 -77.4 -39.3 45.5 67.6 22.9 80 110 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.949 114.4 41.9 -59.0 -46.9 43.6 64.5 21.6 81 111 A L H X S+ 0 0 3 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.870 114.1 50.2 -69.8 -37.4 46.8 62.7 20.7 82 112 A S H X S+ 0 0 61 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.921 115.1 44.1 -67.5 -40.6 48.7 63.7 23.9 83 113 A N H X S+ 0 0 26 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.850 110.2 55.6 -76.5 -28.8 45.8 62.6 26.1 84 114 A A H X S+ 0 0 2 -4,-2.3 4,-2.7 -5,-0.3 5,-0.4 0.917 107.6 49.8 -64.6 -42.8 45.4 59.4 24.1 85 115 A L H X S+ 0 0 5 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.956 115.1 43.5 -61.1 -45.6 49.0 58.5 24.7 86 116 A R H X S+ 0 0 132 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.959 117.4 44.4 -64.4 -49.6 48.6 59.2 28.5 87 117 A H H X S+ 0 0 8 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.874 115.1 45.5 -67.3 -40.3 45.3 57.4 28.9 88 118 A L H < S+ 0 0 0 -4,-2.7 3,-0.4 -5,-0.2 -1,-0.2 0.916 111.7 53.4 -67.6 -40.2 46.2 54.3 26.9 89 119 A H H < S+ 0 0 89 -4,-2.0 -2,-0.2 -5,-0.4 -1,-0.2 0.944 115.5 40.3 -58.1 -43.4 49.5 54.0 28.6 90 120 A D H < S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.598 116.5 49.5 -82.4 -13.8 47.8 54.1 32.1 91 121 A N >< - 0 0 33 -4,-1.2 3,-2.2 -3,-0.4 -1,-0.2 -0.751 67.0-169.9-128.8 85.3 44.8 51.8 31.2 92 122 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.659 83.5 50.5 -50.6 -23.7 45.9 48.6 29.5 93 123 A E T 3 S+ 0 0 147 2,-0.1 253,-0.2 254,-0.0 2,-0.2 0.564 87.1 100.8 -93.9 -8.6 42.5 47.4 28.4 94 124 A M < - 0 0 3 -3,-2.2 2,-0.3 -6,-0.2 -3,-0.1 -0.496 55.2-165.9 -75.6 148.2 41.4 50.7 26.8 95 125 A K - 0 0 30 -2,-0.2 2,-0.3 -40,-0.1 33,-0.2 -0.875 11.1-177.8-132.4 163.2 41.7 50.8 22.9 96 126 A F E - j 0 128C 2 31,-2.1 33,-2.5 -2,-0.3 2,-0.3 -0.961 14.0-145.4-162.2 142.7 41.5 53.6 20.3 97 127 A I E -ij 58 129C 3 -40,-1.9 -38,-0.5 -2,-0.3 2,-0.4 -0.872 11.7-164.1-115.3 149.4 41.7 53.7 16.4 98 128 A W E + j 0 130C 2 31,-2.1 33,-2.3 -2,-0.3 35,-0.2 -0.997 14.5 170.6-134.9 133.3 43.3 56.5 14.3 99 129 A A + 0 0 8 -2,-0.4 2,-0.9 -40,-0.3 34,-0.4 0.799 55.9 75.2-109.2 -39.0 42.8 57.3 10.6 100 130 A E > - 0 0 3 1,-0.2 4,-1.4 33,-0.1 3,-0.4 -0.690 47.1-178.6 -91.1 103.8 44.4 60.6 9.5 101 131 A I H > S+ 0 0 0 33,-2.4 4,-3.1 -2,-0.9 5,-0.3 0.774 76.2 70.8 -75.5 -23.8 48.2 60.2 9.2 102 132 A S H > S+ 0 0 4 33,-2.1 4,-1.8 32,-0.3 -1,-0.2 0.949 107.0 39.4 -54.2 -48.6 48.8 63.9 8.2 103 133 A Y H > S+ 0 0 0 -3,-0.4 4,-1.8 32,-0.3 -1,-0.2 0.864 115.1 52.5 -66.7 -41.0 47.8 64.9 11.8 104 134 A F H X S+ 0 0 0 -4,-1.4 4,-3.2 1,-0.2 -2,-0.2 0.915 110.9 45.5 -65.6 -41.1 49.7 61.9 13.4 105 135 A A H X S+ 0 0 4 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.899 110.3 55.0 -67.3 -40.3 52.9 62.7 11.6 106 136 A R H < S+ 0 0 64 -4,-1.8 4,-0.4 -5,-0.3 -1,-0.2 0.876 116.0 40.1 -58.8 -37.6 52.5 66.5 12.6 107 137 A F H >X S+ 0 0 11 -4,-1.8 3,-1.4 2,-0.2 4,-0.5 0.943 112.2 53.0 -75.7 -51.8 52.2 65.4 16.3 108 138 A Y H >< S+ 0 0 4 -4,-3.2 3,-1.5 1,-0.3 -2,-0.2 0.871 103.2 56.3 -56.2 -42.3 54.9 62.6 16.4 109 139 A H T 3< S+ 0 0 86 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.720 106.1 52.5 -69.1 -16.7 57.7 64.8 15.0 110 140 A D T <4 S+ 0 0 105 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.486 91.1 102.0 -92.5 -4.5 57.1 67.3 17.8 111 141 A L S << S- 0 0 29 -3,-1.5 2,-0.1 -4,-0.5 -3,-0.0 -0.500 74.5-116.0 -82.2 147.8 57.4 64.6 20.6 112 142 A G > - 0 0 48 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.379 34.6-103.1 -74.2 162.1 60.4 64.1 22.8 113 143 A E H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.856 119.0 56.1 -56.8 -38.8 62.2 60.7 22.5 114 144 A N H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.941 112.2 42.2 -60.8 -44.8 60.7 59.3 25.7 115 145 A K H > S+ 0 0 97 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.836 109.1 58.3 -72.3 -33.8 57.1 59.9 24.5 116 146 A K H X S+ 0 0 42 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.923 109.1 46.8 -59.4 -44.1 58.0 58.6 21.0 117 147 A L H X S+ 0 0 98 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.898 110.9 50.4 -64.3 -41.9 59.0 55.3 22.7 118 148 A Q H X S+ 0 0 44 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.915 111.9 49.6 -61.5 -40.8 55.8 55.2 24.8 119 149 A M H X S+ 0 0 2 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.923 108.6 51.0 -65.4 -45.1 53.8 55.8 21.6 120 150 A K H X S+ 0 0 81 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.881 108.6 54.6 -60.7 -34.2 55.6 53.0 19.7 121 151 A S H X S+ 0 0 57 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.890 105.8 48.6 -68.7 -40.1 54.8 50.7 22.6 122 152 A I H <>S+ 0 0 2 -4,-1.7 6,-2.0 2,-0.2 5,-1.2 0.736 114.6 47.7 -75.5 -14.6 51.1 51.2 22.7 123 153 A V H ><5S+ 0 0 13 -4,-1.4 3,-1.4 4,-0.2 -2,-0.2 0.901 111.8 48.7 -82.9 -45.8 51.0 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