==== 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 07-JAN-08 3BVU . 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) . 36091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 65.3 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 . 211 20.8 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 . 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 . 85 8.4 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 . 192 18.9 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 . 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 . 9 7 2 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 0 120 0, 0.0 2,-0.2 0, 0.0 1000,-0.0 0.000 360.0 360.0 360.0 137.8 43.4 37.3 -18.6 2 32 A Q - 0 0 57 1001,-0.1 2,-0.6 1,-0.1 220,-0.0 -0.516 360.0-115.4 -70.0 145.8 39.8 37.4 -17.6 3 33 A D - 0 0 59 -2,-0.2 4,-0.4 1,-0.1 220,-0.2 -0.741 27.4-171.6 -84.1 119.7 37.4 38.8 -20.2 4 34 A V S S+ 0 0 4 -2,-0.6 -1,-0.1 1,-0.1 877,-0.1 0.421 77.1 43.5 -96.0 2.8 36.0 42.1 -18.9 5 35 A V S S+ 0 0 13 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.783 109.0 41.2-109.8 -47.2 33.5 42.5 -21.7 6 36 A Q S S+ 0 0 123 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.518 97.6 68.4 -98.3 -11.9 31.6 39.3 -22.6 7 37 A D - 0 0 77 -4,-0.4 -1,-0.1 214,-0.2 216,-0.1 -0.948 68.6-146.5-112.9 116.9 30.8 37.5 -19.4 8 38 A V - 0 0 53 -2,-0.6 213,-0.1 871,-0.1 871,-0.1 -0.682 27.3-119.7 -81.1 121.1 28.2 39.1 -17.1 9 39 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.312 13.8-132.9 -61.6 145.3 29.2 38.4 -13.5 10 40 A N + 0 0 140 213,-0.3 2,-0.3 2,-0.0 3,-0.0 -0.876 40.5 161.7 -96.9 104.5 26.7 36.5 -11.3 11 41 A V - 0 0 19 -2,-0.8 3,-0.2 1,-0.1 359,-0.1 -0.909 46.3-128.8-121.9 155.7 26.5 38.4 -8.0 12 42 A D S S+ 0 0 102 -2,-0.3 2,-0.4 357,-0.3 358,-0.2 0.880 101.0 28.3 -68.1 -39.2 23.9 38.3 -5.3 13 43 A V E +a 370 0A 8 356,-1.9 358,-2.2 -3,-0.0 2,-0.5 -0.990 63.8 180.0-127.5 119.5 23.4 42.1 -5.3 14 44 A Q E > -a 371 0A 29 -2,-0.4 4,-2.5 356,-0.2 3,-0.4 -0.987 23.2-145.4-117.8 117.2 24.1 44.2 -8.4 15 45 A M H > S+ 0 0 6 356,-2.5 4,-2.5 -2,-0.5 357,-0.1 0.792 95.5 52.2 -64.7 -31.9 23.4 47.8 -7.5 16 46 A L H > S+ 0 0 31 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.905 113.3 46.3 -65.5 -42.0 22.0 48.9 -10.9 17 47 A E H > S+ 0 0 90 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.922 111.9 51.0 -63.7 -42.9 19.5 46.0 -10.7 18 48 A L H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 3,-0.4 0.936 108.4 52.2 -61.4 -42.8 18.7 46.8 -7.2 19 49 A Y H < S+ 0 0 20 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.884 107.0 52.4 -58.5 -39.7 18.0 50.4 -8.1 20 50 A D H < S+ 0 0 83 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.853 116.6 40.0 -66.7 -33.7 15.7 49.4 -10.9 21 51 A R H < S+ 0 0 135 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.774 94.9 95.0 -86.4 -32.9 13.6 47.2 -8.5 22 52 A M < - 0 0 9 -4,-2.6 181,-0.0 -5,-0.2 180,-0.0 -0.302 58.6-153.0 -67.6 146.6 13.6 49.4 -5.3 23 53 A S - 0 0 85 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.654 17.9-149.2 -90.2 -21.3 10.7 51.7 -4.5 24 54 A F + 0 0 22 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.796 28.9 172.9 57.2 32.6 12.7 54.3 -2.5 25 55 A K - 0 0 155 1,-0.1 2,-1.0 177,-0.1 -1,-0.2 -0.491 27.5-144.9 -76.3 141.7 9.7 55.2 -0.3 26 56 A D + 0 0 82 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.680 35.6 162.1-107.1 76.0 10.5 57.4 2.6 27 57 A I - 0 0 100 -2,-1.0 2,-0.7 7,-0.1 -2,-0.0 -0.669 48.0-101.1-102.0 154.1 8.2 56.2 5.3 28 58 A D - 0 0 118 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.653 33.3-172.3 -72.5 110.1 8.4 56.8 9.0 29 59 A G - 0 0 13 4,-2.6 3,-0.4 -2,-0.7 2,-0.4 0.405 39.2-113.2 -84.0 -3.6 9.9 53.6 10.5 30 60 A G S S- 0 0 24 3,-0.2 -1,-0.3 1,-0.2 5,-0.1 -0.826 83.4 -8.8 102.1-144.6 9.4 54.5 14.1 31 61 A V S S+ 0 0 62 -2,-0.4 2,-1.3 1,-0.2 -1,-0.2 0.883 137.5 58.3 -60.4 -35.9 12.4 55.1 16.4 32 62 A W S > S- 0 0 14 -3,-0.4 3,-1.9 1,-0.2 -1,-0.2 -0.791 86.9-166.2 -86.0 93.3 14.6 53.8 13.5 33 63 A K T 3 S+ 0 0 122 -2,-1.3 -4,-2.6 1,-0.3 -3,-0.2 0.806 80.6 34.5 -61.7 -32.4 13.1 56.6 11.3 34 64 A Q T 3 S+ 0 0 27 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.1 0.249 124.6 40.0-106.7 13.5 14.4 55.1 8.0 35 65 A G S < S- 0 0 2 -3,-1.9 2,-0.3 212,-0.1 -8,-0.1 0.068 88.0 -93.5-124.2-127.6 14.0 51.4 9.0 36 66 A W - 0 0 74 -2,-0.1 2,-1.0 169,-0.0 -7,-0.1 -0.926 47.8 -74.2-154.5 169.7 11.4 49.4 10.9 37 67 A N - 0 0 97 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.633 54.9-139.4 -76.6 104.6 10.9 48.2 14.5 38 68 A I - 0 0 11 -2,-1.0 2,-0.3 1,-0.0 256,-0.1 -0.456 18.7-166.1 -72.1 136.0 13.4 45.4 14.8 39 69 A K - 0 0 163 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.911 4.7-173.7-117.3 146.7 12.4 42.2 16.6 40 70 A Y - 0 0 61 -2,-0.3 254,-0.1 256,-0.0 3,-0.0 -0.969 29.4-118.5-137.6 153.1 14.7 39.4 17.9 41 71 A D > - 0 0 93 -2,-0.3 3,-2.3 1,-0.1 4,-0.3 -0.792 20.2-150.9 -87.8 115.5 14.1 36.1 19.5 42 72 A P G > S+ 0 0 81 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.837 93.9 64.8 -62.3 -23.7 15.7 36.2 22.9 43 73 A L G 3 S+ 0 0 138 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.507 75.9 90.0 -79.1 1.7 16.4 32.5 22.7 44 74 A K G < S+ 0 0 69 -3,-2.3 2,-0.4 2,-0.0 -1,-0.2 0.842 88.5 49.1 -60.5 -38.7 18.8 33.1 19.8 45 75 A Y < + 0 0 5 -3,-1.0 2,-0.3 -4,-0.3 5,-0.2 -0.862 68.2 147.2-105.4 147.7 21.6 33.5 22.3 46 76 A N B > -F 49 0B 72 3,-1.6 3,-1.7 -2,-0.4 293,-0.0 -0.866 65.2 -65.8-159.5-175.7 22.4 31.1 25.1 47 77 A A T 3 S+ 0 0 72 1,-0.3 3,-0.2 -2,-0.3 -2,-0.0 0.783 133.4 43.4 -58.9 -27.0 25.4 29.8 27.0 48 78 A H T 3 S+ 0 0 180 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.458 121.4 39.4 -97.2 -4.7 26.7 28.0 23.9 49 79 A H B < S+F 46 0B 64 -3,-1.7 -3,-1.6 2,-0.0 -1,-0.3 -0.674 76.8 172.9-147.9 84.7 26.0 30.9 21.5 50 80 A K - 0 0 81 -3,-0.2 2,-0.6 -2,-0.2 292,-0.2 -0.572 36.0-113.2 -96.6 158.8 26.8 34.2 23.0 51 81 A L E -g 342 0C 0 290,-2.7 292,-2.5 -2,-0.2 2,-0.6 -0.821 28.1-152.2 -88.6 124.0 26.8 37.6 21.3 52 82 A K E -gh 343 303C 76 250,-3.1 252,-3.0 -2,-0.6 2,-0.5 -0.873 13.3-164.1-100.7 121.0 30.3 39.0 21.2 53 83 A V E -gh 344 304C 0 290,-2.5 292,-2.1 -2,-0.6 2,-0.6 -0.932 10.1-164.0-115.1 124.7 30.3 42.8 21.2 54 84 A F E -gh 345 305C 9 250,-2.9 252,-2.9 -2,-0.5 2,-0.6 -0.936 4.8-161.3-109.0 111.6 33.3 45.0 20.2 55 85 A V E -gh 346 306C 0 290,-2.8 292,-2.4 -2,-0.6 40,-0.1 -0.863 12.3-163.4 -91.3 118.1 33.0 48.6 21.3 56 86 A V E - h 0 307C 0 250,-2.4 252,-2.7 -2,-0.6 292,-0.1 -0.863 6.8-147.4-115.3 98.7 35.5 50.5 19.2 57 87 A P E + h 0 308C 0 0, 0.0 40,-2.0 0, 0.0 2,-0.3 -0.409 29.4 163.7 -67.5 139.7 36.4 54.0 20.4 58 88 A H E -ih 97 309C 2 250,-1.9 252,-0.6 38,-0.2 2,-0.3 -0.965 30.9-149.7-152.8 165.7 37.2 56.5 17.6 59 89 A S E - h 0 310C 6 38,-0.5 2,-0.7 -2,-0.3 40,-0.3 -0.940 17.4-140.5-145.2 114.7 37.6 60.2 16.8 60 90 A H E - h 0 311C 2 250,-2.0 252,-2.7 -2,-0.3 2,-0.6 -0.686 23.2-174.3 -82.8 116.9 36.8 61.7 13.4 61 91 A N - 0 0 0 -2,-0.7 42,-0.1 250,-0.2 250,-0.0 -0.907 12.5-151.3-118.4 104.8 39.4 64.3 12.6 62 92 A D - 0 0 2 -2,-0.6 2,-2.4 1,-0.1 5,-0.1 -0.661 13.4-138.8 -74.7 121.4 38.9 66.4 9.5 63 93 A P S S- 0 0 0 0, 0.0 6,-0.3 0, 0.0 377,-0.1 -0.423 86.7 -20.4 -77.1 66.5 42.2 67.6 7.9 64 94 A G S S+ 0 0 0 -2,-2.4 4,-0.2 4,-0.3 378,-0.2 0.168 84.1 125.1 96.8 136.6 40.6 70.9 7.2 65 95 A W S S+ 0 0 33 2,-2.1 384,-2.8 -3,-0.1 387,-0.2 -0.373 90.9 5.6-174.1 -84.4 36.8 71.7 7.0 66 96 A I S S+ 0 0 46 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.639 141.7 26.9 -90.3 -19.2 35.6 74.5 9.3 67 97 A Q S S- 0 0 48 -5,-0.1 -2,-2.1 384,-0.1 382,-0.1 -0.871 98.2 -96.5-129.4 164.6 39.1 75.3 10.4 68 98 A T > - 0 0 14 -2,-0.3 4,-2.8 -4,-0.2 -4,-0.3 -0.352 40.0-101.6 -72.0 165.4 42.4 74.7 8.6 69 99 A F H > S+ 0 0 15 -6,-0.3 4,-2.3 1,-0.2 -5,-0.2 0.925 124.5 44.8 -48.9 -52.8 44.5 71.6 9.2 70 100 A E H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 111.3 52.8 -69.2 -35.2 46.9 73.6 11.4 71 101 A E H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.943 112.6 44.1 -64.1 -47.3 44.1 75.3 13.3 72 102 A Y H X>S+ 0 0 13 -4,-2.8 4,-2.8 2,-0.2 5,-2.1 0.888 111.6 55.4 -62.9 -39.2 42.4 72.0 14.1 73 103 A Y H <>S+ 0 0 6 -4,-2.3 5,-2.5 -5,-0.3 6,-0.3 0.955 113.8 39.1 -57.7 -49.8 45.8 70.5 15.0 74 104 A Q H <5S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 124.6 38.0 -69.0 -38.4 46.5 73.2 17.5 75 105 A H H <5S- 0 0 102 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.799 137.2 -6.9 -85.5 -31.6 43.1 73.5 18.9 76 106 A D T >X5S+ 0 0 23 -4,-2.8 4,-2.1 -5,-0.2 3,-0.7 0.688 118.2 55.9-132.2 -62.0 41.9 69.9 19.0 77 107 A T H 3> S+ 0 0 75 -3,-0.7 4,-2.5 -6,-0.3 5,-0.2 0.879 109.9 52.8 -73.9 -39.1 45.2 67.2 22.5 80 110 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.946 114.9 42.1 -57.8 -48.9 43.2 64.2 21.4 81 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.912 114.1 50.3 -71.3 -36.8 46.5 62.4 20.5 82 112 A S H X S+ 0 0 58 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.923 114.9 43.6 -65.0 -41.1 48.3 63.5 23.6 83 113 A N H X S+ 0 0 20 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.866 110.3 56.2 -75.7 -31.1 45.5 62.3 25.8 84 114 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.4 0.934 107.5 50.1 -61.3 -44.7 45.1 59.1 23.8 85 115 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.965 115.4 41.9 -59.5 -48.9 48.7 58.3 24.5 86 116 A R H X S+ 0 0 125 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.950 117.7 45.5 -65.0 -49.1 48.3 58.9 28.2 87 117 A H H X S+ 0 0 6 -4,-3.1 4,-1.1 2,-0.2 -2,-0.2 0.903 114.9 45.2 -65.9 -38.8 45.0 57.2 28.6 88 118 A L H < S+ 0 0 0 -4,-2.8 3,-0.5 -5,-0.3 6,-0.2 0.924 111.9 53.7 -69.0 -43.8 45.8 54.1 26.6 89 119 A H H < S+ 0 0 86 -4,-2.2 -2,-0.2 -5,-0.4 -1,-0.2 0.940 115.2 40.2 -50.4 -47.9 49.2 53.8 28.4 90 120 A D H < S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.608 117.2 48.5 -84.6 -11.0 47.5 53.9 31.8 91 121 A N >< - 0 0 32 -4,-1.1 3,-1.9 -3,-0.5 -1,-0.2 -0.809 67.0-170.0-131.7 86.4 44.5 51.7 31.0 92 122 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.652 83.1 51.6 -58.9 -23.0 45.6 48.5 29.2 93 123 A E T 3 S+ 0 0 151 2,-0.1 253,-0.2 254,-0.0 2,-0.2 0.548 87.5 102.1 -89.0 -10.5 42.2 47.3 28.2 94 124 A M < - 0 0 3 -3,-1.9 2,-0.3 -6,-0.2 -3,-0.1 -0.504 54.9-166.7 -72.6 146.3 41.2 50.6 26.6 95 125 A K - 0 0 34 -2,-0.2 2,-0.3 -40,-0.1 33,-0.2 -0.865 11.4-178.1-132.0 161.5 41.4 50.7 22.7 96 126 A F E - j 0 128C 0 31,-2.0 33,-2.4 -2,-0.3 2,-0.3 -0.951 14.4-145.1-161.7 138.7 41.3 53.5 20.1 97 127 A I E -ij 58 129C 3 -40,-2.0 -38,-0.5 -2,-0.3 2,-0.4 -0.879 11.4-162.9-110.3 149.7 41.4 53.5 16.3 98 128 A W E + j 0 130C 1 31,-2.1 33,-2.3 -2,-0.3 35,-0.2 -0.998 15.5 169.1-134.3 128.9 43.1 56.2 14.2 99 129 A A + 0 0 7 -2,-0.4 2,-1.0 -40,-0.3 34,-0.4 0.786 56.6 74.8-105.4 -41.8 42.5 56.9 10.4 100 130 A E >> - 0 0 3 1,-0.2 4,-1.5 33,-0.1 3,-0.5 -0.692 47.4-179.3 -93.9 100.4 44.1 60.3 9.3 101 131 A I H 3> S+ 0 0 0 33,-2.5 4,-3.1 -2,-1.0 5,-0.3 0.784 76.1 71.5 -73.5 -25.8 47.9 59.9 9.1 102 132 A S H 3> S+ 0 0 3 33,-2.2 4,-1.8 32,-0.3 -1,-0.2 0.951 107.1 38.5 -48.2 -48.5 48.5 63.5 8.1 103 133 A Y H <> S+ 0 0 0 -3,-0.5 4,-2.1 32,-0.4 -1,-0.2 0.883 114.5 53.2 -69.5 -43.5 47.6 64.5 11.7 104 134 A F H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.923 111.2 46.0 -63.1 -42.3 49.4 61.5 13.3 105 135 A A H X S+ 0 0 3 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.900 110.1 54.9 -63.5 -42.4 52.7 62.4 11.5 106 136 A R H < S+ 0 0 61 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.877 116.1 39.2 -57.3 -40.8 52.2 66.1 12.4 107 137 A F H >X S+ 0 0 10 -4,-2.1 3,-1.2 2,-0.2 4,-0.6 0.917 112.1 53.5 -72.4 -50.7 51.9 65.0 16.1 108 138 A Y H >< S+ 0 0 4 -4,-3.0 3,-1.4 1,-0.3 -2,-0.2 0.877 102.8 56.4 -63.1 -37.5 54.5 62.3 16.2 109 139 A H T 3< S+ 0 0 85 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.740 105.4 54.1 -72.1 -15.2 57.3 64.4 14.8 110 140 A D T <4 S+ 0 0 105 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.558 90.3 100.3 -90.8 -2.4 56.7 66.9 17.6 111 141 A L S << S- 0 0 24 -3,-1.4 2,-0.1 -4,-0.6 -3,-0.0 -0.513 74.9-119.2 -79.3 146.1 57.1 64.3 20.4 112 142 A G > - 0 0 49 -2,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.342 37.2 -99.6 -71.2 164.9 60.2 63.7 22.4 113 143 A E H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.862 120.6 57.5 -60.2 -39.0 61.8 60.3 22.2 114 144 A N H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 111.3 42.0 -61.2 -44.9 60.3 59.1 25.4 115 145 A K H > S+ 0 0 94 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.832 110.1 57.4 -72.3 -30.6 56.8 59.7 24.2 116 146 A K H X S+ 0 0 37 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.931 109.4 46.9 -60.7 -43.0 57.6 58.3 20.7 117 147 A L H X S+ 0 0 94 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.914 111.0 50.4 -65.1 -40.6 58.7 55.1 22.4 118 148 A Q H X S+ 0 0 44 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.902 111.8 49.1 -62.7 -37.8 55.5 55.0 24.5 119 149 A M H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 5,-0.2 0.933 108.6 51.7 -66.8 -45.4 53.4 55.6 21.4 120 150 A K H X S+ 0 0 84 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.896 108.5 54.1 -58.0 -36.5 55.2 52.8 19.5 121 151 A S H X S+ 0 0 45 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.885 106.4 48.5 -67.3 -42.0 54.5 50.5 22.5 122 152 A I H <>S+ 0 0 2 -4,-1.9 6,-2.2 2,-0.2 5,-1.3 0.756 115.1 47.4 -74.3 -18.0 50.7 51.1 22.5 123 153 A V H ><5S+ 0 0 12 -4,-1.6 3,-1.4 4,-0.2 -2,-0.2 0.892 112.0 48.4 -79.8 -45.9 50.6 50.4 18.7 124 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321 351 A D H X S+ 0 0 63 -4,-2.2 4,-3.0 1,-0.2 5,-0.4 0.924 109.8 51.6 -66.2 -44.3 37.4 58.9 31.9 322 352 A V H X S+ 0 0 27 -4,-2.2 4,-1.1 1,-0.2 5,-0.2 0.901 116.7 39.9 -68.6 -36.2 33.7 59.5 31.6 323 353 A Q H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.1 5,-0.2 0.959 119.5 45.1 -72.5 -47.6 33.4 57.2 28.6 324 354 A R H X S+ 0 0 33 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.936 113.9 45.6 -64.8 -48.5 35.8 54.5 29.8 325 355 A V H X S+ 0 0 38 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.904 114.6 47.9 -67.8 -37.8 34.6 54.2 33.5 326 356 A N H X S+ 0 0 5 -4,-1.1 4,-2.0 -5,-0.4 -1,-0.2 0.918 114.4 45.7 -67.0 -47.7 30.9 54.1 32.5 327 357 A Y H X S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.877 109.1 56.0 -61.3 -40.4 31.5 51.5 29.8 328 358 A E H X S+ 0 0 79 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.918 107.4 49.6 -58.4 -39.2 33.7 49.4 32.1 329 359 A R H X S+ 0 0 96 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.926 111.8 48.7 -66.6 -40.7 30.8 49.3 34.7 330 360 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.939 111.2 49.0 -62.1 -46.5 28.4 48.2 32.0 331 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