==== 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 23-JUL-08 3DX0 . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.A.KUNTZ,D.R.ROSE . 1015 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 657 64.7 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 . 208 20.5 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 . 85 8.4 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 . 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 0 1 1 1 1 1 1 1 1 0 1 0 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 8 3 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 . 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 0 125 0, 0.0 2,-0.1 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 134.2 43.4 37.5 -18.6 2 32 A Q - 0 0 63 1001,-0.1 2,-0.6 1,-0.1 220,-0.0 -0.413 360.0-114.2 -64.9 147.3 39.7 37.6 -17.7 3 33 A D - 0 0 56 1,-0.1 4,-0.5 -2,-0.1 220,-0.2 -0.766 28.3-170.5 -87.8 119.7 37.4 39.0 -20.4 4 34 A V S S+ 0 0 4 -2,-0.6 -1,-0.1 1,-0.1 877,-0.1 0.445 77.7 42.7 -94.5 1.8 36.0 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 0.795 111.0 40.2-109.9 -45.8 33.5 42.7 -21.9 6 36 A Q S S+ 0 0 128 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.538 97.5 70.6 -99.0 -9.3 31.7 39.5 -22.8 7 37 A D - 0 0 73 -4,-0.5 -1,-0.1 214,-0.2 216,-0.0 -0.890 68.2-148.5-115.3 104.5 31.0 37.7 -19.5 8 38 A V - 0 0 56 -2,-0.6 213,-0.1 1,-0.1 871,-0.1 -0.538 27.4-120.2 -68.4 117.8 28.3 39.3 -17.2 9 39 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.253 14.9-134.2 -58.6 139.8 29.2 38.6 -13.6 10 40 A N + 0 0 148 213,-0.4 2,-0.3 4,-0.0 3,-0.1 -0.886 40.1 162.4 -94.2 111.6 26.7 36.6 -11.6 11 41 A V - 0 0 20 -2,-0.8 3,-0.2 1,-0.1 359,-0.1 -0.911 47.1-126.8-128.0 158.9 26.4 38.4 -8.2 12 42 A D S S+ 0 0 103 -2,-0.3 2,-0.5 357,-0.3 358,-0.2 0.900 101.8 26.4 -69.8 -39.9 23.8 38.4 -5.4 13 43 A V E -a 370 0A 5 356,-2.0 358,-2.0 -3,-0.1 2,-0.5 -0.990 63.9-178.8-128.5 120.4 23.4 42.2 -5.4 14 44 A Q E > -a 371 0A 28 -2,-0.5 4,-2.9 356,-0.2 3,-0.3 -0.984 22.5-145.2-116.6 117.8 24.1 44.2 -8.5 15 45 A M H > S+ 0 0 5 356,-2.5 4,-2.6 -2,-0.5 5,-0.1 0.813 95.8 49.8 -64.3 -33.0 23.4 47.9 -7.7 16 46 A L H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.926 114.9 46.6 -64.7 -42.5 22.0 49.0 -11.0 17 47 A E H > S+ 0 0 85 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.932 112.7 49.2 -63.7 -44.7 19.6 46.1 -10.9 18 48 A L H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 3,-0.3 0.932 108.9 53.0 -61.2 -43.1 18.7 46.8 -7.3 19 49 A Y H < S+ 0 0 20 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.891 106.3 53.5 -58.0 -41.2 18.1 50.5 -8.2 20 50 A D H < S+ 0 0 84 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.886 116.1 39.0 -63.2 -36.4 15.7 49.4 -11.0 21 51 A R H < S+ 0 0 138 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.779 95.6 95.2 -84.9 -32.3 13.6 47.2 -8.6 22 52 A M < - 0 0 6 -4,-2.5 181,-0.0 -5,-0.2 180,-0.0 -0.315 58.9-152.4 -70.8 148.6 13.6 49.5 -5.5 23 53 A S - 0 0 82 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.692 16.4-148.8 -90.2 -23.5 10.8 51.9 -4.7 24 54 A F + 0 0 22 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.718 30.5 171.0 59.7 25.8 12.7 54.5 -2.6 25 55 A K - 0 0 152 1,-0.1 2,-1.0 177,-0.1 -1,-0.2 -0.486 29.0-144.7 -68.0 138.8 9.6 55.3 -0.5 26 56 A D + 0 0 83 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.675 35.2 163.5-104.5 75.9 10.5 57.5 2.4 27 57 A I - 0 0 96 -2,-1.0 2,-0.7 7,-0.1 -2,-0.0 -0.698 47.2-102.1-100.6 151.4 8.2 56.2 5.1 28 58 A D - 0 0 115 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.570 32.5-173.0 -67.3 108.0 8.4 56.8 8.8 29 59 A G - 0 0 11 4,-2.6 3,-0.4 -2,-0.7 2,-0.4 0.421 40.1-115.0 -84.0 3.4 9.8 53.6 10.2 30 60 A G S S- 0 0 25 3,-0.2 -1,-0.3 1,-0.2 5,-0.1 -0.819 82.5 -6.1 98.2-142.7 9.3 54.6 13.9 31 61 A V S S+ 0 0 65 -2,-0.4 2,-1.3 1,-0.2 -1,-0.2 0.896 137.0 57.5 -60.6 -37.7 12.3 55.2 16.2 32 62 A W S > S- 0 0 15 -3,-0.4 3,-2.0 1,-0.2 -1,-0.2 -0.768 87.3-166.1 -87.2 93.9 14.5 53.9 13.4 33 63 A K T 3 S+ 0 0 122 -2,-1.3 -4,-2.6 1,-0.3 -3,-0.2 0.822 80.5 34.6 -62.8 -31.3 13.1 56.6 11.1 34 64 A Q T 3 S+ 0 0 24 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.1 0.235 124.3 39.6-106.7 14.6 14.4 55.1 7.8 35 65 A G S < S- 0 0 1 -3,-2.0 2,-0.3 212,-0.1 -8,-0.1 0.075 87.7 -95.7-125.4-124.9 13.9 51.4 8.8 36 66 A W - 0 0 74 -2,-0.0 2,-0.9 169,-0.0 -7,-0.1 -0.922 49.2 -71.1-156.9 171.9 11.3 49.4 10.7 37 67 A N - 0 0 97 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.636 55.7-139.3 -76.0 104.9 10.8 48.2 14.3 38 68 A I - 0 0 11 -2,-0.9 2,-0.3 1,-0.0 257,-0.1 -0.477 18.8-165.1 -71.8 136.0 13.3 45.4 14.6 39 69 A K - 0 0 163 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.890 6.1-175.5-116.8 148.8 12.3 42.2 16.4 40 70 A Y - 0 0 65 -2,-0.3 254,-0.1 256,-0.0 3,-0.0 -0.946 30.1-115.7-137.6 159.7 14.5 39.5 17.7 41 71 A D > - 0 0 94 -2,-0.3 3,-2.3 1,-0.1 4,-0.3 -0.866 19.2-150.2 -91.4 114.4 14.1 36.1 19.3 42 72 A P G > S+ 0 0 87 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.797 95.3 62.8 -55.7 -26.7 15.6 36.3 22.9 43 73 A L G 3 S+ 0 0 140 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.481 77.1 87.7 -79.3 -1.5 16.4 32.5 22.5 44 74 A K G < S+ 0 0 64 -3,-2.3 2,-0.4 2,-0.0 -1,-0.2 0.882 89.1 50.3 -63.4 -38.0 18.8 33.1 19.6 45 75 A Y S < S+ 0 0 9 -3,-0.8 2,-0.3 -4,-0.3 5,-0.2 -0.827 72.5 149.0-104.9 138.1 21.7 33.7 22.0 46 76 A N B > -F 49 0B 68 3,-1.8 3,-1.6 -2,-0.4 293,-0.0 -0.886 63.2 -69.9-153.8-176.3 22.4 31.2 24.9 47 77 A A T 3 S+ 0 0 75 1,-0.3 3,-0.2 -2,-0.3 -2,-0.0 0.798 132.8 42.7 -58.6 -28.0 25.3 29.8 26.9 48 78 A H T 3 S+ 0 0 189 1,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.500 123.1 36.9 -95.2 -5.4 26.6 27.9 23.9 49 79 A H B < S+F 46 0B 57 -3,-1.6 -3,-1.8 2,-0.0 -1,-0.2 -0.694 77.3 177.3-149.2 83.9 26.1 30.8 21.4 50 80 A K - 0 0 67 -3,-0.2 2,-0.6 -5,-0.2 292,-0.2 -0.516 34.0-113.7 -88.9 160.1 26.8 34.2 22.9 51 81 A L E -g 342 0C 0 290,-2.5 292,-2.5 289,-0.2 2,-0.6 -0.860 28.5-150.7 -90.1 120.4 26.7 37.6 21.2 52 82 A K E -gh 343 303C 77 250,-3.1 252,-3.3 -2,-0.6 2,-0.5 -0.840 13.3-164.2 -95.4 119.9 30.2 39.0 21.1 53 83 A V E -gh 344 304C 0 290,-2.8 292,-2.1 -2,-0.6 2,-0.6 -0.924 8.0-165.2-114.1 124.4 30.1 42.8 21.2 54 84 A F E -gh 345 305C 22 250,-2.8 252,-2.9 -2,-0.5 2,-0.6 -0.930 4.9-160.5-109.1 114.8 33.1 45.0 20.3 55 85 A V E -gh 346 306C 0 290,-3.0 292,-2.4 -2,-0.6 40,-0.1 -0.833 12.1-162.4 -93.6 118.4 32.9 48.7 21.3 56 86 A V E - h 0 307C 0 250,-2.5 252,-2.6 -2,-0.6 292,-0.1 -0.870 6.5-147.1-114.7 99.2 35.4 50.5 19.2 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.9 0, 0.0 2,-0.3 -0.398 30.6 160.8 -65.2 138.0 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,-0.4 -0.971 31.2-150.3-153.4 165.5 37.2 56.5 17.6 59 89 A S E - h 0 310C 6 38,-0.5 2,-0.6 -2,-0.3 40,-0.3 -0.936 17.7-139.7-146.5 116.8 37.5 60.2 16.8 60 90 A H E - h 0 311C 2 250,-2.0 252,-2.9 -2,-0.4 2,-0.6 -0.685 23.4-174.4 -83.3 116.2 36.7 61.7 13.4 61 91 A N - 0 0 0 -2,-0.6 42,-0.1 250,-0.2 250,-0.0 -0.875 12.0-151.3-120.0 103.4 39.4 64.3 12.6 62 92 A D - 0 0 1 -2,-0.6 2,-2.5 1,-0.1 3,-0.1 -0.547 15.4-136.8 -73.5 122.7 39.0 66.4 9.4 63 93 A P S S- 0 0 0 0, 0.0 6,-0.4 0, 0.0 377,-0.1 -0.420 88.8 -19.6 -71.1 62.8 42.2 67.7 7.8 64 94 A G S S+ 0 0 0 -2,-2.5 4,-0.2 4,-0.4 378,-0.1 0.256 80.8 128.8 102.9 134.5 40.4 71.0 7.3 65 95 A W S S+ 0 0 37 2,-2.3 384,-2.8 -3,-0.1 387,-0.2 -0.263 91.3 2.9-166.1 -82.4 36.7 71.8 7.2 66 96 A I S S+ 0 0 44 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.762 142.0 29.3 -84.9 -32.1 35.5 74.7 9.4 67 97 A Q S S- 0 0 48 1,-0.1 -2,-2.3 384,-0.1 382,-0.1 -0.790 97.6 -99.4-117.2 161.5 39.1 75.3 10.5 68 98 A T > - 0 0 13 -2,-0.3 4,-2.9 -4,-0.2 -4,-0.4 -0.334 40.7 -98.3 -68.7 167.6 42.3 74.7 8.5 69 99 A F H > S+ 0 0 13 -6,-0.4 4,-2.3 1,-0.2 -5,-0.2 0.932 125.4 43.9 -47.5 -52.3 44.4 71.7 9.1 70 100 A E H > S+ 0 0 64 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.878 111.3 53.3 -70.3 -34.0 46.8 73.6 11.3 71 101 A E H > S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.946 112.9 43.7 -64.8 -48.2 44.1 75.3 13.3 72 102 A Y H X>S+ 0 0 11 -4,-2.9 4,-2.8 2,-0.2 5,-2.3 0.887 111.4 54.9 -60.9 -40.6 42.4 72.0 14.1 73 103 A Y H <>S+ 0 0 6 -4,-2.3 5,-2.4 -5,-0.3 6,-0.3 0.963 114.9 39.5 -58.4 -47.7 45.7 70.5 14.9 74 104 A Q H <5S+ 0 0 65 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.877 124.5 37.4 -68.4 -38.3 46.5 73.3 17.5 75 105 A H H <5S- 0 0 102 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.800 137.5 -7.7 -87.8 -30.2 43.0 73.5 18.9 76 106 A D T >X5S+ 0 0 24 -4,-2.8 4,-2.3 -5,-0.3 3,-0.5 0.666 117.7 57.4-131.3 -61.4 41.8 69.9 18.9 77 107 A T H 3> S+ 0 0 74 -3,-0.5 4,-2.8 -6,-0.3 5,-0.2 0.887 110.8 52.2 -75.8 -42.2 45.2 67.3 22.5 80 110 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.944 115.1 41.9 -55.4 -50.6 43.1 64.3 21.3 81 111 A L H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.895 114.5 50.7 -66.5 -39.5 46.3 62.4 20.4 82 112 A S H X S+ 0 0 59 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.932 115.0 43.4 -63.8 -43.5 48.2 63.5 23.6 83 113 A N H X S+ 0 0 23 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.843 110.6 55.2 -74.2 -29.5 45.3 62.4 25.7 84 114 A A H X S+ 0 0 1 -4,-2.5 4,-2.9 -5,-0.2 5,-0.4 0.931 109.2 48.9 -62.6 -47.5 44.9 59.1 23.8 85 115 A L H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.961 115.3 43.0 -56.0 -49.5 48.5 58.4 24.4 86 116 A R H X S+ 0 0 126 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.950 117.8 44.7 -64.7 -48.6 48.2 59.1 28.2 87 117 A H H X S+ 0 0 7 -4,-3.1 4,-1.3 2,-0.2 7,-0.2 0.913 115.3 44.9 -68.6 -41.3 44.9 57.3 28.6 88 118 A L H < S+ 0 0 0 -4,-2.9 3,-0.3 -5,-0.3 -1,-0.2 0.915 112.8 53.2 -69.4 -37.6 45.8 54.2 26.6 89 119 A H H < S+ 0 0 83 -4,-2.3 -2,-0.2 -5,-0.4 -1,-0.2 0.944 116.2 39.4 -57.0 -44.5 49.2 54.0 28.4 90 120 A D H < S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.604 118.0 47.9 -84.2 -13.9 47.5 54.2 31.8 91 121 A N >< - 0 0 28 -4,-1.3 3,-1.8 -3,-0.3 -1,-0.2 -0.827 65.4-171.5-130.5 87.4 44.5 51.9 31.0 92 122 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.687 83.4 55.5 -57.3 -22.1 45.8 48.7 29.3 93 123 A E T 3 S+ 0 0 76 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.579 86.2 98.2 -84.0 -20.1 42.2 47.5 28.5 94 124 A M < - 0 0 1 -3,-1.8 2,-0.3 -7,-0.2 -3,-0.1 -0.485 55.8-165.5 -75.4 147.3 41.2 50.7 26.6 95 125 A K - 0 0 34 -2,-0.1 2,-0.3 -40,-0.1 33,-0.2 -0.859 9.9-178.7-130.3 163.0 41.3 50.7 22.8 96 126 A F E - j 0 128C 1 31,-2.2 33,-2.6 -2,-0.3 2,-0.4 -0.960 15.2-144.6-163.0 141.1 41.2 53.4 20.0 97 127 A I E -ij 58 129C 3 -40,-1.9 -38,-0.5 -2,-0.3 2,-0.4 -0.877 12.5-163.2-111.6 144.3 41.3 53.5 16.2 98 128 A W E + j 0 130C 1 31,-2.3 33,-2.5 -2,-0.4 35,-0.2 -0.995 14.7 170.2-130.5 133.1 43.0 56.3 14.2 99 129 A A + 0 0 6 -2,-0.4 2,-0.9 -40,-0.3 34,-0.4 0.831 55.5 75.0-106.1 -43.2 42.5 57.0 10.5 100 130 A E >> - 0 0 3 1,-0.2 4,-1.5 33,-0.1 3,-0.5 -0.676 46.7-179.3 -94.3 100.0 44.1 60.3 9.4 101 131 A I H 3> S+ 0 0 0 33,-2.5 4,-3.4 -2,-0.9 5,-0.3 0.813 76.1 71.1 -71.7 -26.3 47.9 59.9 9.1 102 132 A S H 3> S+ 0 0 3 33,-2.3 4,-1.5 32,-0.3 -1,-0.2 0.928 108.2 38.3 -50.7 -46.8 48.4 63.6 8.0 103 133 A Y H <> S+ 0 0 0 -3,-0.5 4,-2.5 32,-0.3 -1,-0.2 0.881 115.1 52.9 -69.6 -43.4 47.5 64.5 11.7 104 134 A F H X S+ 0 0 0 -4,-1.5 4,-3.1 1,-0.2 5,-0.2 0.917 109.8 47.3 -64.9 -44.4 49.3 61.6 13.2 105 135 A A H X S+ 0 0 3 -4,-3.4 4,-2.3 2,-0.2 -1,-0.2 0.887 111.2 52.0 -60.4 -43.6 52.6 62.3 11.5 106 136 A R H X S+ 0 0 64 -4,-1.5 4,-1.0 -5,-0.3 -2,-0.2 0.931 115.8 42.4 -58.2 -44.6 52.4 66.0 12.4 107 137 A F H >X S+ 0 0 9 -4,-2.5 4,-0.7 2,-0.2 3,-0.6 0.952 113.3 49.6 -67.3 -50.2 51.8 64.9 16.1 108 138 A Y H >< S+ 0 0 6 -4,-3.1 3,-1.1 1,-0.3 -1,-0.2 0.881 106.3 55.2 -63.1 -42.3 54.4 62.1 16.3 109 139 A H H 3< S+ 0 0 84 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.849 107.6 51.6 -62.8 -29.4 57.2 64.2 14.8 110 140 A D H << S+ 0 0 105 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.576 90.4 103.0 -82.2 -11.1 56.6 66.8 17.6 111 141 A L S << S- 0 0 27 -3,-1.1 2,-0.1 -4,-0.7 -3,-0.0 -0.436 76.2-115.2 -71.3 141.6 56.8 64.2 20.4 112 142 A G > - 0 0 49 -2,-0.1 4,-2.7 1,-0.1 3,-0.3 -0.352 35.9-103.0 -64.1 159.7 59.8 63.9 22.6 113 143 A E H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.872 120.1 56.5 -56.1 -39.9 61.7 60.6 22.3 114 144 A N H > S+ 0 0 106 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.934 112.4 42.5 -61.9 -40.8 60.3 59.2 25.6 115 145 A K H > S+ 0 0 97 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.854 108.4 58.3 -75.5 -36.2 56.7 59.7 24.3 116 146 A K H X S+ 0 0 42 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.922 108.8 47.6 -52.5 -47.4 57.5 58.4 20.8 117 147 A L H X S+ 0 0 97 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.884 110.3 50.5 -62.4 -40.6 58.6 55.2 22.5 118 148 A Q H X S+ 0 0 42 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.916 111.6 49.9 -62.9 -40.6 55.4 55.1 24.6 119 149 A M H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 5,-0.2 0.927 108.5 50.9 -64.9 -47.3 53.3 55.6 21.4 120 150 A K H X S+ 0 0 78 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.870 109.2 53.5 -57.2 -34.1 55.1 52.8 19.5 121 151 A S H X S+ 0 0 57 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.891 106.5 48.8 -71.5 -40.0 54.4 50.5 22.5 122 152 A I H <>S+ 0 0 3 -4,-1.9 6,-2.1 2,-0.2 5,-1.6 0.742 115.8 45.5 -74.5 -21.7 50.6 51.1 22.6 123 153 A V H ><5S+ 0 0 12 -4,-1.5 3,-1.6 4,-0.2 -2,-0.2 0.897 113.0 49.2 -77.8 -48.3 50.5 50.5 18.8 124 154 A K H 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