==== 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 05-JUN-08 3DDF . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.A.KUNTZ,D.R.ROSE,D.HOFFMAN . 1015 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 659 64.9 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 . 209 20.6 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 . 83 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 8.8 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 . 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 4 5 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 0 126 0, 0.0 2,-0.1 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 135.6 43.5 37.5 -18.8 2 32 A Q - 0 0 52 1001,-0.1 2,-0.6 1,-0.1 220,-0.0 -0.429 360.0-115.4 -69.7 145.8 39.8 37.7 -17.9 3 33 A D - 0 0 56 1,-0.1 4,-0.4 -2,-0.1 220,-0.2 -0.763 27.6-171.2 -83.1 117.8 37.5 39.0 -20.5 4 34 A V S S+ 0 0 4 -2,-0.6 -1,-0.1 1,-0.1 877,-0.1 0.381 76.6 43.5 -94.6 1.3 36.0 42.3 -19.2 5 35 A V S S+ 0 0 17 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.789 110.4 39.5-109.3 -46.3 33.5 42.8 -21.9 6 36 A Q S S+ 0 0 127 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.434 97.6 70.4-102.6 -4.4 31.7 39.7 -22.9 7 37 A D - 0 0 72 -4,-0.4 -1,-0.1 214,-0.2 216,-0.1 -0.930 68.2-148.2-117.9 112.2 31.0 37.8 -19.6 8 38 A V - 0 0 58 -2,-0.6 213,-0.1 871,-0.1 871,-0.1 -0.638 26.7-120.1 -77.9 121.0 28.4 39.4 -17.3 9 39 A P - 0 0 14 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.298 13.6-132.3 -61.9 145.1 29.3 38.6 -13.7 10 40 A N + 0 0 146 213,-0.3 2,-0.3 2,-0.0 3,-0.0 -0.863 40.5 162.5 -97.6 105.2 26.8 36.6 -11.6 11 41 A V - 0 0 19 -2,-0.8 3,-0.2 1,-0.1 359,-0.1 -0.891 46.2-129.1-122.2 154.1 26.5 38.5 -8.3 12 42 A D S S+ 0 0 105 -2,-0.3 2,-0.4 357,-0.3 358,-0.2 0.877 101.3 27.3 -67.0 -39.5 23.9 38.4 -5.5 13 43 A V E -a 370 0A 9 356,-1.9 358,-2.1 -3,-0.0 2,-0.5 -0.991 63.8-179.5-129.0 120.4 23.5 42.2 -5.5 14 44 A Q E > -a 371 0A 28 -2,-0.4 4,-2.5 356,-0.2 3,-0.4 -0.985 23.1-145.3-117.6 116.6 24.1 44.3 -8.6 15 45 A M H > S+ 0 0 6 356,-2.6 4,-2.4 -2,-0.5 357,-0.1 0.786 95.2 51.7 -64.0 -31.5 23.5 47.9 -7.7 16 46 A L H > S+ 0 0 32 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.921 113.4 46.4 -66.1 -40.9 22.0 49.1 -11.0 17 47 A E H > S+ 0 0 84 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.901 111.7 52.2 -65.7 -42.4 19.6 46.1 -11.0 18 48 A L H X S+ 0 0 6 -4,-2.5 4,-2.4 1,-0.2 3,-0.2 0.934 108.5 50.0 -57.6 -46.1 18.7 46.9 -7.3 19 49 A Y H < S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.836 106.7 54.9 -59.1 -40.2 18.0 50.5 -8.2 20 50 A D H < S+ 0 0 82 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.887 116.9 37.4 -63.8 -34.5 15.7 49.5 -11.1 21 51 A R H < S+ 0 0 134 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.797 96.3 94.8 -89.1 -34.9 13.6 47.3 -8.7 22 52 A M < - 0 0 9 -4,-2.4 181,-0.0 -5,-0.2 180,-0.0 -0.317 58.2-154.2 -63.2 144.1 13.6 49.5 -5.5 23 53 A S - 0 0 81 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.660 17.7-148.2 -91.9 -22.4 10.8 51.9 -4.8 24 54 A F + 0 0 22 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.783 28.4 174.6 61.9 31.2 12.7 54.3 -2.6 25 55 A K - 0 0 154 1,-0.1 2,-1.2 177,-0.1 -1,-0.2 -0.496 27.4-143.8 -74.5 137.6 9.7 55.2 -0.5 26 56 A D + 0 0 84 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.599 36.6 163.3-101.6 74.3 10.5 57.5 2.5 27 57 A I - 0 0 96 -2,-1.2 2,-0.7 7,-0.1 -2,-0.0 -0.650 47.6-103.0 -98.8 151.8 8.2 56.1 5.1 28 58 A D - 0 0 117 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.638 33.1-173.0 -72.3 108.9 8.4 56.7 8.8 29 59 A G - 0 0 12 4,-2.5 3,-0.4 -2,-0.7 2,-0.4 0.417 40.2-113.3 -85.4 -0.7 9.9 53.5 10.2 30 60 A G S S- 0 0 25 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.822 82.6 -8.3 103.3-145.8 9.4 54.5 13.9 31 61 A V S S+ 0 0 70 -2,-0.4 2,-1.3 1,-0.2 -1,-0.2 0.900 137.2 58.5 -60.5 -36.5 12.3 55.1 16.2 32 62 A W S > S- 0 0 14 -3,-0.4 3,-1.9 1,-0.2 -1,-0.2 -0.802 87.3-165.7 -84.1 94.1 14.5 53.8 13.3 33 63 A K T 3 S+ 0 0 111 -2,-1.3 -4,-2.5 1,-0.3 -3,-0.3 0.751 80.7 34.3 -62.9 -30.6 13.1 56.5 11.1 34 64 A Q T 3 S+ 0 0 26 -6,-0.2 -1,-0.3 -5,-0.2 171,-0.1 0.189 124.2 40.2-109.6 16.0 14.3 55.0 7.9 35 65 A G S < S- 0 0 2 -3,-1.9 2,-0.3 212,-0.1 -8,-0.1 0.080 87.5 -93.6-124.8-126.9 13.9 51.4 8.9 36 66 A W - 0 0 72 -2,-0.1 2,-1.0 169,-0.0 -7,-0.1 -0.915 47.7 -73.8-155.6 169.1 11.4 49.3 10.7 37 67 A N - 0 0 111 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.667 55.4-139.3 -75.7 102.9 10.8 48.1 14.3 38 68 A I - 0 0 11 -2,-1.0 2,-0.4 1,-0.0 256,-0.1 -0.448 18.3-165.2 -72.2 134.5 13.4 45.3 14.6 39 69 A K - 0 0 177 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.908 6.1-175.3-115.8 147.4 12.3 42.2 16.4 40 70 A Y - 0 0 65 -2,-0.4 254,-0.1 256,-0.0 3,-0.0 -0.962 29.5-116.9-138.3 157.6 14.6 39.4 17.7 41 71 A D > - 0 0 91 -2,-0.3 3,-2.3 1,-0.1 4,-0.3 -0.840 19.5-148.7 -92.2 118.4 14.1 36.1 19.4 42 72 A P G > S+ 0 0 87 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.811 95.3 62.6 -58.0 -26.3 15.5 36.2 22.8 43 73 A L G 3 S+ 0 0 141 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.446 76.9 89.9 -82.3 2.4 16.4 32.5 22.6 44 74 A K G < S+ 0 0 65 -3,-2.3 2,-0.4 2,-0.0 -1,-0.2 0.868 88.1 48.4 -65.1 -38.0 18.8 33.1 19.6 45 75 A Y S < S+ 0 0 8 -3,-0.7 2,-0.2 -4,-0.3 5,-0.2 -0.862 74.0 150.4-104.0 140.5 21.7 33.6 21.9 46 76 A N B > -F 49 0B 68 3,-1.8 3,-1.9 -2,-0.4 -3,-0.0 -0.848 63.0 -68.4-153.6-174.6 22.3 31.1 24.8 47 77 A A T 3 S+ 0 0 75 1,-0.3 3,-0.2 -2,-0.2 -2,-0.0 0.809 133.6 43.2 -57.7 -27.4 25.2 29.6 26.8 48 78 A H T 3 S+ 0 0 178 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.431 122.3 37.6 -98.7 0.9 26.5 27.8 23.8 49 79 A H B < S+F 46 0B 59 -3,-1.9 -3,-1.8 2,-0.0 -1,-0.3 -0.666 76.3 178.6-157.5 85.6 26.0 30.7 21.4 50 80 A K - 0 0 77 -3,-0.2 2,-0.6 -5,-0.2 292,-0.2 -0.515 32.8-114.6 -93.9 156.2 26.8 34.1 22.8 51 81 A L E -g 342 0C 0 290,-2.7 292,-2.5 289,-0.2 2,-0.6 -0.862 27.7-151.5 -88.8 120.9 26.7 37.5 21.1 52 82 A K E -gh 343 303C 95 250,-3.1 252,-3.1 -2,-0.6 2,-0.5 -0.876 13.4-164.3 -95.4 119.0 30.3 38.9 21.0 53 83 A V E -gh 344 304C 0 290,-2.5 292,-2.2 -2,-0.6 2,-0.6 -0.916 9.1-165.0-114.7 123.4 30.2 42.7 21.1 54 84 A F E -gh 345 305C 22 250,-2.9 252,-3.0 -2,-0.5 2,-0.6 -0.931 4.6-161.5-108.0 112.4 33.2 44.9 20.1 55 85 A V E -gh 346 306C 0 290,-2.7 292,-2.4 -2,-0.6 40,-0.1 -0.861 12.4-162.7 -92.7 116.1 32.9 48.5 21.2 56 86 A V E - h 0 307C 0 250,-2.3 252,-2.7 -2,-0.6 292,-0.1 -0.872 6.3-147.7-111.4 99.4 35.4 50.4 19.1 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.8 0, 0.0 2,-0.3 -0.439 29.3 163.7 -67.3 138.6 36.4 53.9 20.3 58 88 A H E -ih 97 309C 2 250,-1.9 252,-0.6 38,-0.2 2,-0.4 -0.965 31.4-149.5-152.3 164.9 37.2 56.4 17.6 59 89 A S E - h 0 310C 6 38,-0.5 2,-0.7 -2,-0.3 40,-0.3 -0.939 17.3-141.8-143.4 114.2 37.7 60.1 16.8 60 90 A H E - h 0 311C 1 250,-2.2 252,-2.6 -2,-0.4 2,-0.7 -0.697 21.5-172.8 -85.0 114.6 36.9 61.5 13.4 61 91 A N - 0 0 0 -2,-0.7 42,-0.2 250,-0.2 250,-0.1 -0.840 10.6-152.8-115.3 98.2 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 -0.529 14.8-136.5 -69.8 121.1 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 -0.374 86.0 -19.1 -75.3 65.3 42.1 67.5 7.9 64 94 A G S S+ 0 0 0 -2,-2.4 4,-0.2 4,-0.3 378,-0.1 0.188 81.6 126.6 102.8 136.6 40.4 70.9 7.4 65 95 A W S S+ 0 0 33 2,-2.4 384,-2.7 -3,-0.1 387,-0.2 -0.275 90.5 5.7-171.6 -84.4 36.7 71.8 7.3 66 96 A I S S+ 0 0 47 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.675 141.8 25.9 -85.7 -25.3 35.4 74.6 9.6 67 97 A Q S S- 0 0 47 384,-0.1 -2,-2.4 1,-0.0 382,-0.1 -0.850 97.8 -95.8-127.0 164.7 39.1 75.3 10.6 68 98 A T > - 0 0 14 -2,-0.3 4,-2.8 -4,-0.2 -4,-0.3 -0.322 40.2-100.0 -73.4 165.8 42.3 74.7 8.7 69 99 A F H > S+ 0 0 15 -6,-0.3 4,-2.3 1,-0.2 -5,-0.2 0.929 125.2 44.7 -46.3 -53.1 44.4 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 0.899 111.2 53.2 -70.9 -35.9 46.8 73.5 11.4 71 101 A E H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.947 112.5 43.7 -61.8 -48.0 44.0 75.2 13.4 72 102 A Y H X>S+ 0 0 11 -4,-2.8 4,-2.6 1,-0.2 5,-2.1 0.880 111.5 55.7 -63.0 -39.0 42.4 71.9 14.2 73 103 A Y H <>S+ 0 0 6 -4,-2.3 5,-2.5 -5,-0.3 6,-0.3 0.945 114.0 39.1 -56.7 -49.6 45.8 70.4 15.0 74 104 A Q H <5S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.885 124.8 36.8 -69.9 -38.2 46.5 73.1 17.6 75 105 A H H <5S- 0 0 99 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.798 137.4 -4.8 -87.3 -28.2 43.0 73.4 19.1 76 106 A D T >X5S+ 0 0 25 -4,-2.6 4,-2.1 -5,-0.3 3,-0.7 0.688 118.7 54.7-131.7 -63.5 41.9 69.7 19.0 77 107 A T H 3> S+ 0 0 76 -3,-0.7 4,-2.6 -6,-0.3 5,-0.3 0.889 110.0 53.1 -74.4 -39.9 45.3 67.2 22.6 80 110 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.939 114.3 41.9 -57.8 -48.3 43.3 64.1 21.4 81 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.896 114.0 50.6 -72.3 -36.9 46.5 62.3 20.5 82 112 A S H X S+ 0 0 55 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.936 115.5 43.0 -63.7 -42.3 48.4 63.4 23.6 83 113 A N H X S+ 0 0 26 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.857 110.4 56.0 -76.5 -30.4 45.6 62.2 25.9 84 114 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.4 0.936 107.6 50.3 -62.0 -43.7 45.1 59.0 23.9 85 115 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.961 114.9 42.8 -59.2 -47.2 48.7 58.2 24.5 86 116 A R H X S+ 0 0 124 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.946 117.3 43.8 -64.4 -48.6 48.3 58.8 28.2 87 117 A H H X S+ 0 0 5 -4,-2.9 4,-1.3 2,-0.2 7,-0.2 0.911 115.7 47.0 -72.3 -37.1 45.0 57.1 28.7 88 118 A L H >< S+ 0 0 0 -4,-2.7 3,-0.6 -5,-0.3 6,-0.2 0.939 111.8 52.2 -67.3 -43.5 45.8 54.0 26.6 89 119 A H H 3< S+ 0 0 89 -4,-2.2 -2,-0.2 -5,-0.4 -1,-0.2 0.942 116.2 39.6 -53.1 -46.3 49.2 53.7 28.4 90 120 A D H 3< S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.613 116.7 49.8 -83.8 -12.5 47.5 53.8 31.8 91 121 A N X< - 0 0 31 -4,-1.3 3,-2.0 -3,-0.6 -1,-0.2 -0.832 66.6-170.5-130.1 85.9 44.5 51.6 30.9 92 122 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.666 82.8 51.4 -59.4 -23.0 45.7 48.4 29.2 93 123 A E T 3 S+ 0 0 152 2,-0.1 253,-0.2 254,-0.0 2,-0.2 0.519 87.1 101.6 -90.4 -8.5 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 -0.526 55.1-166.1 -73.0 149.0 41.2 50.5 26.5 95 125 A K - 0 0 37 -2,-0.2 2,-0.3 -40,-0.1 33,-0.2 -0.861 11.0-178.5-132.6 160.6 41.4 50.6 22.7 96 126 A F E - j 0 128C 0 31,-2.0 33,-2.3 -2,-0.3 2,-0.3 -0.949 14.4-145.7-161.2 140.4 41.3 53.3 20.0 97 127 A I E -ij 58 129C 3 -40,-1.8 -38,-0.5 -2,-0.3 2,-0.4 -0.874 11.3-161.9-110.7 150.8 41.5 53.4 16.2 98 128 A W E + j 0 130C 1 31,-2.2 33,-2.5 -2,-0.3 35,-0.2 -0.998 15.3 169.9-135.9 131.2 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 0.791 56.2 73.7-107.0 -41.8 42.5 56.9 10.4 100 130 A E > - 0 0 2 1,-0.2 4,-1.5 33,-0.1 3,-0.4 -0.691 47.8-178.1 -98.2 102.7 44.2 60.2 9.3 101 131 A I H > S+ 0 0 0 33,-2.5 4,-3.2 -2,-0.9 5,-0.3 0.783 76.3 71.6 -73.5 -23.9 48.0 59.9 9.1 102 132 A S H > S+ 0 0 4 33,-2.3 4,-1.7 32,-0.3 -1,-0.2 0.945 107.0 38.6 -51.5 -47.5 48.5 63.5 8.1 103 133 A Y H > S+ 0 0 0 -3,-0.4 4,-2.3 32,-0.4 -1,-0.2 0.893 114.9 52.6 -69.2 -44.1 47.6 64.4 11.7 104 134 A F H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 5,-0.2 0.911 110.3 47.2 -62.2 -42.6 49.4 61.5 13.2 105 135 A A H X S+ 0 0 4 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.905 110.1 54.1 -62.9 -41.2 52.7 62.3 11.4 106 136 A R H X S+ 0 0 65 -4,-1.7 4,-0.7 -5,-0.3 -2,-0.2 0.940 115.9 40.3 -56.9 -44.8 52.3 66.0 12.5 107 137 A F H >X S+ 0 0 11 -4,-2.3 3,-1.0 2,-0.2 4,-0.6 0.953 112.7 51.6 -68.8 -51.3 52.0 64.9 16.1 108 138 A Y H >< S+ 0 0 6 -4,-3.1 3,-1.2 1,-0.3 -2,-0.2 0.873 104.3 56.3 -63.0 -38.8 54.5 62.2 16.2 109 139 A H H 3< S+ 0 0 87 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.786 107.3 51.0 -67.5 -22.8 57.3 64.2 14.8 110 140 A D H << S+ 0 0 105 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.541 90.4 103.3 -89.3 -6.0 56.8 66.8 17.6 111 141 A L S << S- 0 0 24 -3,-1.2 2,-0.0 -4,-0.6 -3,-0.0 -0.516 75.6-115.2 -74.3 141.2 57.0 64.2 20.3 112 142 A G > - 0 0 49 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.281 35.5-103.1 -63.8 160.2 60.0 63.7 22.5 113 143 A E H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.871 119.2 56.8 -60.2 -37.5 61.8 60.4 22.2 114 144 A N H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.951 112.0 42.6 -60.5 -45.2 60.4 59.0 25.5 115 145 A K H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.837 109.0 57.7 -69.5 -35.7 56.8 59.6 24.3 116 146 A K H X S+ 0 0 33 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.919 108.8 47.5 -58.3 -43.6 57.6 58.3 20.8 117 147 A L H X S+ 0 0 92 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.913 111.0 50.2 -64.0 -40.9 58.7 55.0 22.4 118 148 A Q H X S+ 0 0 49 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.916 111.7 49.4 -63.7 -39.6 55.5 54.9 24.5 119 149 A M H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 5,-0.2 0.939 108.6 51.5 -64.9 -46.0 53.4 55.5 21.3 120 150 A K H X S+ 0 0 85 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.892 108.8 53.9 -57.8 -36.7 55.3 52.7 19.5 121 151 A S H X S+ 0 0 56 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.897 106.3 48.5 -68.1 -41.7 54.5 50.4 22.4 122 152 A I H <>S+ 0 0 2 -4,-1.8 6,-2.1 2,-0.2 5,-1.4 0.761 115.3 47.2 -73.7 -21.2 50.7 51.0 22.5 123 153 A V H ><5S+ 0 0 13 -4,-1.6 3,-1.6 4,-0.2 -2,-0.2 0.907 112.2 48.5 -76.6 -47.3 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