==== 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 18-SEP-08 3EJQ . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.A.KUNTZ,D.R.ROSE . 1016 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36282.0 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 . 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 . 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 . 84 8.3 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 . 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 . 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 30 A Q 0 0 244 0, 0.0 2,-0.3 0, 0.0 1002,-0.1 0.000 360.0 360.0 360.0 -88.7 45.2 34.1 -19.0 2 31 A a - 0 0 59 1,-0.1 2,-0.1 1000,-0.1 1000,-0.0 -0.614 360.0-112.5 -81.1 136.7 43.4 37.5 -18.7 3 32 A Q - 0 0 54 -2,-0.3 2,-0.7 1001,-0.1 -1,-0.1 -0.408 30.5-115.4 -55.5 139.2 39.8 37.7 -17.7 4 33 A D > - 0 0 55 1,-0.1 4,-0.5 -2,-0.1 220,-0.2 -0.748 30.5-172.3 -78.2 113.1 37.5 38.9 -20.5 5 34 A V T 4 S+ 0 0 4 -2,-0.7 -1,-0.1 1,-0.1 877,-0.1 0.425 76.9 41.9 -90.6 3.3 36.1 42.2 -19.1 6 35 A V T 4 S+ 0 0 15 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.796 111.9 40.4-113.3 -44.3 33.6 42.8 -21.9 7 36 A Q T 4 S+ 0 0 125 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.527 98.5 69.6 -98.8 -9.6 31.8 39.6 -22.8 8 37 A D < - 0 0 69 -4,-0.5 -1,-0.1 214,-0.1 216,-0.1 -0.930 68.4-147.8-116.3 109.5 31.1 37.8 -19.6 9 38 A V - 0 0 58 -2,-0.6 213,-0.1 1,-0.1 871,-0.1 -0.606 27.1-120.5 -74.5 118.2 28.5 39.3 -17.2 10 39 A P - 0 0 13 0, 0.0 2,-0.7 0, 0.0 214,-0.1 -0.270 15.0-132.8 -58.0 143.7 29.5 38.5 -13.6 11 40 A N + 0 0 143 213,-0.4 2,-0.3 2,-0.0 3,-0.0 -0.891 39.9 162.3 -98.7 110.7 27.0 36.6 -11.5 12 41 A V - 0 0 20 -2,-0.7 3,-0.2 1,-0.1 359,-0.1 -0.923 46.7-127.7-129.3 154.2 26.6 38.3 -8.2 13 42 A D S S+ 0 0 102 -2,-0.3 2,-0.4 357,-0.3 358,-0.2 0.865 101.5 26.9 -67.6 -37.8 24.0 38.2 -5.4 14 43 A V E -a 371 0A 7 356,-1.8 358,-2.1 -3,-0.0 2,-0.5 -0.992 63.2-179.1-130.4 121.6 23.5 42.0 -5.4 15 44 A Q E > -a 372 0A 28 -2,-0.4 4,-2.8 356,-0.2 3,-0.3 -0.988 23.2-144.9-120.1 117.4 24.2 44.2 -8.5 16 45 A M H > S+ 0 0 7 356,-2.5 4,-2.4 -2,-0.5 357,-0.1 0.802 96.1 51.3 -64.4 -31.3 23.5 47.8 -7.5 17 46 A L H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.929 114.0 45.7 -64.6 -42.7 22.1 48.9 -10.9 18 47 A E H > S+ 0 0 87 -3,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.921 112.7 50.9 -66.6 -42.3 19.7 46.0 -10.9 19 48 A L H X S+ 0 0 5 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.921 108.2 52.1 -58.8 -46.7 18.8 46.7 -7.2 20 49 A Y H < S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.880 106.0 54.6 -56.8 -38.4 18.1 50.3 -8.1 21 50 A D H < S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.883 116.1 38.0 -65.9 -38.4 15.8 49.3 -10.9 22 51 A R H < S+ 0 0 132 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.782 95.1 93.7 -81.7 -35.9 13.7 47.1 -8.5 23 52 A M < - 0 0 7 -4,-2.5 181,-0.0 -5,-0.2 180,-0.0 -0.317 59.7-151.9 -65.4 148.9 13.7 49.2 -5.2 24 53 A S - 0 0 83 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.649 17.7-147.0 -93.3 -18.9 10.8 51.7 -4.6 25 54 A F + 0 0 22 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.737 30.2 172.4 58.9 26.8 12.7 54.2 -2.4 26 55 A K - 0 0 157 1,-0.1 2,-1.0 177,-0.1 -1,-0.2 -0.471 28.7-143.1 -68.5 138.0 9.7 55.0 -0.2 27 56 A D + 0 0 84 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.667 35.3 165.5-103.6 76.4 10.6 57.2 2.7 28 57 A I - 0 0 104 -2,-1.0 2,-0.7 7,-0.1 -2,-0.0 -0.666 46.0-106.1 -98.6 149.7 8.3 55.9 5.4 29 58 A D - 0 0 122 -2,-0.3 6,-0.2 1,-0.2 5,-0.1 -0.622 32.5-172.5 -72.1 111.8 8.5 56.5 9.1 30 59 A G - 0 0 13 4,-2.3 3,-0.4 -2,-0.7 2,-0.4 0.347 40.6-112.0 -89.2 5.7 9.9 53.2 10.5 31 60 A G S S- 0 0 26 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.811 82.8 -7.6 101.8-142.3 9.5 54.2 14.1 32 61 A V S S+ 0 0 62 -2,-0.4 2,-1.4 1,-0.2 -1,-0.2 0.879 136.6 58.2 -60.3 -40.2 12.4 54.8 16.5 33 62 A W S > S- 0 0 14 -3,-0.4 3,-1.9 1,-0.2 -1,-0.2 -0.782 88.2-164.8 -84.0 93.8 14.6 53.5 13.6 34 63 A K T 3 S+ 0 0 125 -2,-1.4 -4,-2.3 1,-0.3 -3,-0.3 0.778 80.1 35.2 -60.8 -30.1 13.2 56.3 11.4 35 64 A Q T 3 S+ 0 0 27 -6,-0.2 -1,-0.3 -5,-0.2 171,-0.1 0.250 123.7 36.3-110.1 14.6 14.4 54.8 8.2 36 65 A G S < S- 0 0 1 -3,-1.9 2,-0.3 212,-0.1 -8,-0.1 0.026 88.8 -89.6-126.4-126.1 14.0 51.1 9.0 37 66 A W - 0 0 71 -2,-0.1 2,-0.9 169,-0.0 -7,-0.1 -0.908 47.8 -73.0-148.2 175.9 11.5 49.1 11.0 38 67 A N - 0 0 104 -2,-0.3 2,-0.2 -6,-0.1 -7,-0.1 -0.666 56.1-138.7 -78.5 105.3 10.9 47.8 14.5 39 68 A I - 0 0 13 -2,-0.9 2,-0.3 1,-0.0 256,-0.1 -0.440 19.7-166.2 -72.2 134.8 13.5 45.1 14.8 40 69 A K - 0 0 178 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.915 5.6-175.8-117.0 147.6 12.4 41.9 16.5 41 70 A Y - 0 0 61 -2,-0.3 254,-0.1 256,-0.0 3,-0.0 -0.966 31.3-114.1-138.8 156.5 14.6 39.1 17.8 42 71 A D > - 0 0 97 -2,-0.3 3,-2.3 1,-0.1 4,-0.4 -0.824 21.6-150.2 -87.7 113.7 14.2 35.6 19.3 43 72 A P G > S+ 0 0 85 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.788 95.3 60.7 -54.9 -25.7 15.6 35.9 22.9 44 73 A L G 3 S+ 0 0 141 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.458 77.3 90.3 -83.8 0.8 16.5 32.2 22.6 45 74 A K G < S+ 0 0 66 -3,-2.3 2,-0.4 2,-0.0 -1,-0.2 0.892 87.2 51.7 -61.3 -40.4 18.9 32.7 19.7 46 75 A Y S < S+ 0 0 9 -3,-0.6 2,-0.2 -4,-0.4 5,-0.2 -0.840 72.3 150.3-102.0 136.4 21.8 33.3 22.0 47 76 A N B > -F 50 0B 67 3,-1.8 3,-1.3 -2,-0.4 293,-0.0 -0.828 62.3 -70.6-148.3-175.7 22.5 30.7 24.8 48 77 A A T 3 S+ 0 0 74 1,-0.3 3,-0.3 -2,-0.2 -2,-0.0 0.814 133.0 42.1 -56.7 -31.3 25.5 29.3 26.8 49 78 A H T 3 S+ 0 0 184 1,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.521 122.6 39.0 -94.1 -7.8 26.8 27.5 23.7 50 79 A H B < S+F 47 0B 58 -3,-1.3 -3,-1.8 2,-0.0 -1,-0.2 -0.715 77.1 176.8-146.3 86.0 26.2 30.4 21.3 51 80 A K - 0 0 79 -3,-0.3 2,-0.6 -2,-0.2 292,-0.2 -0.568 34.5-114.4 -91.1 154.5 27.0 33.8 22.8 52 81 A L E -g 343 0C 0 290,-2.6 292,-2.5 -2,-0.2 2,-0.6 -0.811 29.5-150.9 -84.5 118.9 26.8 37.2 21.2 53 82 A K E -gh 344 304C 95 250,-3.3 252,-3.2 -2,-0.6 2,-0.5 -0.847 13.4-163.8 -96.3 121.3 30.4 38.6 21.1 54 83 A V E -gh 345 305C 0 290,-2.8 292,-2.2 -2,-0.6 2,-0.6 -0.922 10.3-165.7-115.4 125.1 30.4 42.3 21.2 55 84 A F E -gh 346 306C 20 250,-2.9 252,-2.9 -2,-0.5 2,-0.6 -0.935 5.3-161.3-109.9 112.0 33.3 44.6 20.3 56 85 A V E -gh 347 307C 0 290,-2.9 292,-2.4 -2,-0.6 40,-0.1 -0.868 12.5-162.6 -92.4 117.8 33.0 48.2 21.4 57 86 A V E - h 0 308C 0 250,-2.2 252,-2.7 -2,-0.6 292,-0.1 -0.856 6.2-147.9-113.6 97.7 35.5 50.1 19.2 58 87 A P E + h 0 309C 0 0, 0.0 40,-2.0 0, 0.0 2,-0.3 -0.410 29.0 164.5 -66.1 138.8 36.5 53.6 20.5 59 88 A H E -ih 98 310C 2 250,-1.9 252,-0.6 38,-0.2 2,-0.4 -0.965 31.0-150.0-150.7 165.3 37.2 56.1 17.8 60 89 A S E - h 0 311C 7 38,-0.5 2,-0.7 -2,-0.3 40,-0.3 -0.940 17.5-141.8-145.3 112.4 37.7 59.8 17.1 61 90 A H E - h 0 312C 0 250,-2.0 252,-3.0 -2,-0.4 2,-0.6 -0.690 22.9-174.1 -81.9 113.2 36.8 61.3 13.7 62 91 A N - 0 0 0 -2,-0.7 42,-0.1 250,-0.2 250,-0.0 -0.912 11.5-152.5-114.9 108.7 39.5 64.0 12.9 63 92 A D - 0 0 0 -2,-0.6 2,-2.4 1,-0.1 3,-0.1 -0.673 14.4-138.2 -82.6 124.4 39.0 66.0 9.8 64 93 A P S S- 0 0 0 0, 0.0 6,-0.4 0, 0.0 377,-0.1 -0.407 87.3 -17.8 -74.0 63.2 42.3 67.4 8.2 65 94 A G S S+ 0 0 0 -2,-2.4 4,-0.2 4,-0.3 378,-0.2 0.167 82.2 124.5 105.3 132.8 40.5 70.7 7.6 66 95 A W S S+ 0 0 35 2,-2.5 384,-2.7 -3,-0.1 387,-0.2 -0.332 90.9 5.8-168.6 -86.9 36.8 71.6 7.6 67 96 A I S S+ 0 0 47 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.636 141.9 27.0 -80.4 -24.2 35.5 74.4 9.9 68 97 A Q S S- 0 0 47 384,-0.0 -2,-2.5 385,-0.0 382,-0.1 -0.873 97.5 -97.0-127.9 165.7 39.1 75.0 10.9 69 98 A T > - 0 0 13 -2,-0.3 4,-2.9 -4,-0.2 -4,-0.3 -0.346 40.8-101.1 -73.9 165.8 42.3 74.5 9.0 70 99 A F H > S+ 0 0 14 -6,-0.4 4,-2.1 1,-0.2 -5,-0.2 0.919 125.2 45.3 -47.6 -50.2 44.5 71.4 9.5 71 100 A E H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.883 111.1 52.4 -70.8 -37.1 46.9 73.4 11.8 72 101 A E H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.947 113.0 44.3 -61.8 -47.4 44.0 75.0 13.7 73 102 A Y H X>S+ 0 0 11 -4,-2.9 4,-2.7 1,-0.2 5,-2.1 0.873 111.5 54.5 -65.6 -36.1 42.4 71.7 14.5 74 103 A Y H <>S+ 0 0 6 -4,-2.1 5,-2.3 -5,-0.3 6,-0.3 0.941 114.1 40.3 -62.2 -45.1 45.8 70.2 15.4 75 104 A Q H <5S+ 0 0 65 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.879 124.6 36.5 -71.3 -40.4 46.6 72.9 17.9 76 105 A H H <5S- 0 0 97 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.812 137.5 -5.4 -84.9 -32.2 43.1 73.1 19.4 77 106 A D T >X5S+ 0 0 23 -4,-2.7 4,-2.1 -5,-0.3 3,-0.7 0.708 118.2 55.4-129.0 -62.0 41.9 69.4 19.3 78 107 A T H 3> S+ 0 0 76 -3,-0.7 4,-2.6 -6,-0.3 5,-0.2 0.881 110.6 52.3 -74.6 -39.4 45.3 66.8 22.9 81 110 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.950 114.4 42.2 -57.8 -50.9 43.3 63.8 21.6 82 111 A L H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.895 114.8 50.7 -69.5 -35.4 46.6 62.0 20.7 83 112 A S H X S+ 0 0 60 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.938 114.6 42.8 -65.7 -45.1 48.4 63.0 23.8 84 113 A N H X S+ 0 0 24 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.836 110.8 56.3 -73.3 -30.9 45.6 61.9 26.1 85 114 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.2 5,-0.4 0.940 107.6 49.4 -60.7 -47.2 45.1 58.7 24.0 86 115 A L H X S+ 0 0 6 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.937 115.3 43.2 -57.0 -47.0 48.8 57.8 24.7 87 116 A R H X S+ 0 0 129 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.954 117.9 43.0 -64.6 -51.9 48.4 58.5 28.4 88 117 A H H X S+ 0 0 5 -4,-2.8 4,-1.3 2,-0.2 7,-0.2 0.875 115.7 46.7 -68.8 -41.1 45.1 56.7 28.9 89 118 A L H < S+ 0 0 0 -4,-2.7 3,-0.4 -5,-0.3 -1,-0.2 0.932 112.2 51.8 -65.9 -44.0 45.9 53.6 26.8 90 119 A H H < S+ 0 0 84 -4,-1.9 -2,-0.2 -5,-0.4 -1,-0.2 0.949 116.4 40.7 -52.7 -46.8 49.3 53.3 28.5 91 120 A D H < S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.616 117.1 47.9 -79.7 -17.6 47.5 53.4 31.9 92 121 A N >< - 0 0 31 -4,-1.3 3,-2.1 -3,-0.4 -1,-0.2 -0.772 67.5-170.1-129.9 85.3 44.5 51.2 31.0 93 122 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.606 83.4 50.7 -59.4 -20.4 45.7 48.0 29.2 94 123 A E T 3 S+ 0 0 150 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.536 87.1 101.9 -93.1 -9.6 42.3 46.7 28.2 95 124 A M < - 0 0 2 -3,-2.1 2,-0.3 -6,-0.2 -3,-0.1 -0.492 56.2-164.5 -72.5 147.2 41.2 50.1 26.7 96 125 A K - 0 0 32 -2,-0.1 2,-0.3 -40,-0.1 33,-0.2 -0.859 12.1-179.2-130.8 162.1 41.4 50.2 22.8 97 126 A F E - j 0 129C 0 31,-2.0 33,-2.4 -2,-0.3 2,-0.3 -0.941 14.2-146.7-162.5 137.6 41.3 53.0 20.2 98 127 A I E -ij 59 130C 3 -40,-2.0 -38,-0.5 -2,-0.3 2,-0.4 -0.887 11.5-162.8-109.6 148.7 41.5 53.1 16.4 99 128 A W E + j 0 131C 1 31,-2.2 33,-2.5 -2,-0.3 35,-0.2 -0.997 14.9 170.5-134.0 132.7 43.1 55.9 14.3 100 129 A A + 0 0 6 -2,-0.4 2,-1.0 -40,-0.3 34,-0.4 0.796 55.7 75.3-106.7 -41.8 42.6 56.7 10.6 101 130 A E > - 0 0 3 1,-0.2 4,-1.6 33,-0.1 3,-0.4 -0.686 47.2-178.4 -94.1 102.4 44.2 60.0 9.6 102 131 A I H > S+ 0 0 0 33,-2.6 4,-3.1 -2,-1.0 5,-0.3 0.792 76.5 70.5 -74.2 -24.3 48.0 59.6 9.3 103 132 A S H > S+ 0 0 3 33,-2.0 4,-1.6 32,-0.3 -1,-0.2 0.952 107.3 38.8 -52.5 -48.4 48.5 63.3 8.4 104 133 A Y H > S+ 0 0 0 -3,-0.4 4,-2.2 32,-0.4 -1,-0.2 0.897 114.8 53.1 -66.5 -43.6 47.6 64.2 11.9 105 134 A F H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 5,-0.2 0.922 110.3 46.5 -64.6 -42.4 49.4 61.2 13.5 106 135 A A H X S+ 0 0 3 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.902 110.3 54.2 -61.9 -41.5 52.7 62.0 11.7 107 136 A R H < S+ 0 0 63 -4,-1.6 4,-0.4 -5,-0.3 -2,-0.2 0.895 115.8 40.6 -59.2 -40.9 52.4 65.7 12.7 108 137 A F H >< S+ 0 0 12 -4,-2.2 3,-1.3 2,-0.2 4,-0.5 0.947 112.1 52.1 -72.2 -52.8 52.0 64.6 16.4 109 138 A Y H >< S+ 0 0 7 -4,-3.1 3,-1.3 1,-0.3 -2,-0.2 0.851 104.7 55.9 -60.2 -38.9 54.6 61.8 16.5 110 139 A H T 3< S+ 0 0 84 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.733 105.7 53.2 -68.9 -19.0 57.4 64.0 15.1 111 140 A D T < S+ 0 0 102 -3,-1.3 -1,-0.3 -4,-0.4 2,-0.2 0.511 91.6 101.7 -88.9 -6.3 56.8 66.5 17.9 112 141 A L S < S- 0 0 24 -3,-1.3 2,-0.1 -4,-0.5 -3,-0.0 -0.548 74.8-119.2 -78.8 142.4 57.1 63.8 20.6 113 142 A G > - 0 0 51 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.355 35.4-102.2 -68.8 160.8 60.1 63.3 22.7 114 143 A E H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.831 119.7 57.1 -59.6 -37.2 61.9 59.9 22.4 115 144 A N H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 111.8 42.0 -57.4 -50.0 60.4 58.6 25.7 116 145 A K H > S+ 0 0 99 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.857 109.7 58.1 -68.4 -36.1 56.9 59.2 24.5 117 146 A K H X S+ 0 0 43 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.931 108.4 47.1 -55.4 -46.3 57.7 57.8 21.0 118 147 A L H X S+ 0 0 95 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.906 111.0 50.6 -64.0 -42.8 58.7 54.6 22.6 119 148 A Q H X S+ 0 0 46 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.921 111.8 49.1 -56.4 -45.5 55.5 54.5 24.7 120 149 A M H X S+ 0 0 2 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.908 109.0 51.3 -61.3 -46.4 53.5 55.1 21.5 121 150 A K H X S+ 0 0 80 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.885 108.9 53.4 -59.5 -37.1 55.3 52.3 19.7 122 151 A S H X S+ 0 0 52 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.876 106.5 48.6 -69.1 -40.1 54.5 50.0 22.6 123 152 A I H <>S+ 0 0 2 -4,-1.8 6,-2.2 2,-0.2 5,-1.2 0.723 115.6 46.3 -75.0 -19.1 50.8 50.6 22.6 124 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