==== 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 03-SEP-03 1QWU . COMPND 2 MOLECULE: ALPHA-MANNOSIDASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR S.NUMAO,D.A.KUNTZ,S.G.WITHERS,D.R.ROSE . 1014 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35688.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 665 65.6 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 . 209 20.6 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 . 89 8.8 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 . 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 . 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 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 . 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 0 127 0, 0.0 1000,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 125.3 43.5 37.3 -18.5 2 32 A Q - 0 0 54 1001,-0.1 2,-0.6 1,-0.1 220,-0.0 -0.265 360.0-115.0 -64.7 154.6 39.8 37.5 -17.8 3 33 A D - 0 0 55 1,-0.1 4,-0.4 2,-0.0 220,-0.2 -0.811 27.6-171.3 -93.1 120.4 37.5 38.9 -20.4 4 34 A V S S+ 0 0 4 -2,-0.6 -1,-0.1 2,-0.1 877,-0.1 0.421 77.1 45.0 -97.1 4.6 36.1 42.2 -19.1 5 35 A V S S+ 0 0 17 869,-0.1 871,-0.5 870,-0.1 876,-0.1 0.832 110.4 38.3-108.8 -52.6 33.6 42.7 -21.9 6 36 A Q S S+ 0 0 125 869,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.565 97.3 72.0 -85.7 -15.4 31.7 39.5 -22.8 7 37 A D - 0 0 75 -4,-0.4 -1,-0.1 214,-0.2 216,-0.1 -0.908 69.0-147.2-108.0 109.7 31.0 37.7 -19.5 8 38 A V - 0 0 55 -2,-0.6 213,-0.1 1,-0.1 871,-0.1 -0.606 28.1-120.4 -73.7 114.7 28.3 39.3 -17.3 9 39 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 214,-0.1 -0.222 16.7-132.5 -56.7 145.0 29.4 38.6 -13.6 10 40 A N + 0 0 143 213,-0.3 2,-0.3 -3,-0.0 3,-0.0 -0.870 39.9 161.1 -99.7 109.9 26.9 36.6 -11.6 11 41 A V - 0 0 23 -2,-0.8 3,-0.1 1,-0.1 359,-0.1 -0.932 47.8-127.1-131.6 154.2 26.5 38.4 -8.2 12 42 A D S S+ 0 0 99 -2,-0.3 2,-0.4 1,-0.2 358,-0.2 0.859 102.4 27.1 -65.4 -36.9 23.9 38.3 -5.4 13 43 A V E -a 370 0A 5 356,-1.8 358,-1.8 -3,-0.0 2,-0.5 -0.989 63.1-180.0-129.3 122.3 23.5 42.1 -5.5 14 44 A Q E >> -a 371 0A 27 -2,-0.4 4,-2.7 356,-0.2 3,-0.6 -0.976 23.7-144.5-120.8 114.0 24.1 44.2 -8.6 15 45 A M H 3> S+ 0 0 4 356,-2.4 4,-2.4 -2,-0.5 357,-0.1 0.773 95.7 50.4 -53.9 -35.4 23.5 47.9 -7.7 16 46 A L H 3> S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.915 114.4 46.8 -67.6 -39.5 22.1 49.0 -11.0 17 47 A E H <> S+ 0 0 85 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.937 112.1 50.0 -66.4 -44.3 19.7 46.1 -10.9 18 48 A L H X S+ 0 0 5 -4,-2.7 4,-2.7 1,-0.2 3,-0.3 0.935 108.8 52.4 -59.9 -44.7 18.8 46.8 -7.3 19 49 A Y H < S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.869 105.3 55.7 -59.2 -38.0 18.1 50.4 -8.1 20 50 A D H < S+ 0 0 82 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.891 115.9 36.4 -62.6 -41.3 15.8 49.4 -11.0 21 51 A R H < S+ 0 0 137 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.821 95.5 97.5 -84.2 -32.2 13.6 47.3 -8.6 22 52 A M < - 0 0 8 -4,-2.7 181,-0.0 -5,-0.2 180,-0.0 -0.249 58.1-153.9 -61.7 144.1 13.7 49.4 -5.4 23 53 A S - 0 0 77 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.708 16.1-149.2 -90.4 -24.7 10.8 51.8 -4.7 24 54 A F + 0 0 21 1,-0.2 2,-0.3 178,-0.1 178,-0.1 0.773 28.8 173.1 61.5 28.0 12.8 54.3 -2.6 25 55 A K - 0 0 151 1,-0.1 2,-1.2 177,-0.1 -1,-0.2 -0.535 27.5-144.5 -72.3 132.5 9.7 55.1 -0.5 26 56 A D + 0 0 82 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.589 36.2 162.0 -96.7 74.5 10.6 57.4 2.4 27 57 A I - 0 0 91 -2,-1.2 2,-0.6 7,-0.1 -2,-0.0 -0.651 47.8-103.4 -97.9 153.9 8.2 56.1 5.2 28 58 A D - 0 0 111 -2,-0.3 6,-0.2 1,-0.1 5,-0.1 -0.609 33.0-174.5 -71.5 111.9 8.5 56.7 8.9 29 59 A G - 0 0 10 4,-2.2 3,-0.5 -2,-0.6 2,-0.3 0.294 41.9-111.0 -94.5 12.1 9.8 53.4 10.3 30 60 A G S S- 0 0 25 3,-0.2 -1,-0.3 1,-0.2 5,-0.1 -0.762 82.5 -7.4 99.5-143.9 9.4 54.4 13.9 31 61 A V S S+ 0 0 56 -2,-0.3 2,-1.7 1,-0.3 -1,-0.2 0.904 136.6 58.5 -58.4 -37.7 12.4 55.0 16.3 32 62 A W S > S- 0 0 15 -3,-0.5 3,-1.9 1,-0.2 -1,-0.3 -0.728 87.2-166.8 -89.0 87.9 14.5 53.7 13.4 33 63 A K T 3 S+ 0 0 127 -2,-1.7 -4,-2.2 1,-0.3 -3,-0.2 0.788 79.6 34.2 -47.2 -37.6 13.1 56.5 11.2 34 64 A Q T 3 S+ 0 0 25 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.2 0.301 124.1 38.0-107.5 12.9 14.4 55.0 7.9 35 65 A G S < S- 0 0 1 -3,-1.9 2,-0.3 212,-0.1 -8,-0.1 0.144 88.9 -95.5-123.6-120.5 14.0 51.3 8.8 36 66 A W - 0 0 69 -2,-0.0 2,-0.9 169,-0.0 -7,-0.1 -0.915 49.2 -69.7-159.5 171.4 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 -0.643 54.2-140.0 -76.7 108.0 10.9 48.0 14.3 38 68 A I - 0 0 11 -2,-0.9 2,-0.3 1,-0.0 256,-0.1 -0.456 20.0-169.7 -72.1 135.5 13.5 45.3 14.6 39 69 A K - 0 0 181 -2,-0.2 2,-0.3 255,-0.1 -1,-0.0 -0.911 3.4-174.3-122.8 149.9 12.3 42.2 16.5 40 70 A Y - 0 0 60 -2,-0.3 254,-0.1 256,-0.0 3,-0.0 -0.965 30.8-113.0-140.4 159.9 14.5 39.3 17.6 41 71 A D > - 0 0 92 -2,-0.3 3,-2.8 1,-0.1 4,-0.3 -0.840 21.8-149.5 -93.6 112.0 14.0 35.9 19.2 42 72 A P G > S+ 0 0 84 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.781 94.9 63.0 -53.7 -24.2 15.5 36.1 22.7 43 73 A L G 3 S+ 0 0 135 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.492 75.6 91.7 -80.2 -1.2 16.4 32.4 22.5 44 74 A K G < S+ 0 0 66 -3,-2.8 2,-0.4 1,-0.0 -1,-0.2 0.898 87.2 49.0 -60.5 -38.1 18.7 33.0 19.6 45 75 A Y < + 0 0 7 -3,-0.8 2,-0.3 -4,-0.3 5,-0.2 -0.828 69.0 149.5-105.6 143.6 21.6 33.4 22.0 46 76 A N B > -F 49 0B 67 3,-1.9 3,-2.3 -2,-0.4 293,-0.0 -0.893 63.5 -70.9-155.1-179.9 22.4 31.0 24.8 47 77 A A T 3 S+ 0 0 69 1,-0.3 3,-0.3 -2,-0.3 -2,-0.0 0.780 133.0 45.4 -53.2 -27.4 25.4 29.7 26.8 48 78 A H T 3 S+ 0 0 180 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.459 122.8 34.7 -97.4 0.2 26.5 27.8 23.7 49 79 A H B < S+F 46 0B 60 -3,-2.3 -3,-1.9 2,-0.0 -1,-0.3 -0.654 77.8 176.6-154.1 88.4 26.0 30.7 21.3 50 80 A K - 0 0 81 -3,-0.3 2,-0.7 -5,-0.2 292,-0.2 -0.591 35.0-113.3 -96.6 159.1 26.8 34.1 22.7 51 81 A L E -g 342 0C 0 290,-2.3 292,-2.7 -2,-0.2 2,-0.7 -0.806 29.0-151.7 -89.8 117.0 26.7 37.5 21.1 52 82 A K E -gh 343 303C 62 250,-3.2 252,-3.3 -2,-0.7 2,-0.5 -0.841 15.0-163.1 -92.2 118.7 30.3 38.8 21.0 53 83 A V E -gh 344 304C 0 290,-2.8 292,-1.9 -2,-0.7 2,-0.6 -0.902 11.1-166.3-113.2 127.3 30.2 42.6 21.1 54 84 A F E -gh 345 305C 12 250,-2.9 252,-2.9 -2,-0.5 2,-0.7 -0.938 5.1-161.3-111.8 114.6 33.2 44.8 20.2 55 85 A V E -gh 346 306C 0 290,-2.5 292,-2.2 -2,-0.6 40,-0.1 -0.857 12.9-161.2 -94.3 116.9 32.8 48.5 21.2 56 86 A V E - h 0 307C 0 250,-2.4 252,-2.7 -2,-0.7 292,-0.1 -0.833 5.6-147.5-109.8 101.8 35.3 50.4 19.1 57 87 A P E + h 0 308C 0 0, 0.0 40,-1.7 0, 0.0 2,-0.3 -0.373 30.4 159.4 -64.0 140.4 36.3 53.9 20.3 58 88 A H E -ih 97 309C 2 250,-1.8 252,-0.6 38,-0.2 2,-0.4 -0.972 32.1-148.6-157.9 164.3 37.1 56.4 17.6 59 89 A S E - h 0 310C 7 38,-0.5 2,-0.8 -2,-0.3 40,-0.3 -0.954 18.3-139.2-142.9 116.9 37.4 60.1 16.8 60 90 A H E - h 0 311C 2 250,-2.1 252,-2.9 -2,-0.4 2,-0.5 -0.704 25.8-173.7 -83.8 110.5 36.6 61.5 13.4 61 91 A N - 0 0 0 -2,-0.8 42,-0.1 250,-0.2 39,-0.1 -0.927 13.1-149.4-110.6 126.2 39.2 64.2 12.6 62 92 A D - 0 0 0 -2,-0.5 2,-3.1 74,-0.1 5,-0.1 -0.830 13.9-139.6 -96.9 120.2 39.0 66.4 9.5 63 93 A P S S- 0 0 0 0, 0.0 6,-0.4 0, 0.0 377,-0.1 -0.415 90.1 -23.5 -73.9 65.3 42.3 67.6 7.9 64 94 A G S S+ 0 0 0 -2,-3.1 4,-0.2 4,-0.4 378,-0.1 0.239 83.4 129.9 98.9 137.3 40.6 70.9 7.4 65 95 A W S S+ 0 0 33 2,-2.2 384,-3.0 -3,-0.1 387,-0.2 -0.344 91.3 5.2-170.6 -83.0 36.8 71.6 7.2 66 96 A I S S+ 0 0 50 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.714 142.5 27.5 -88.2 -27.7 35.5 74.4 9.5 67 97 A Q S S- 0 0 48 -5,-0.1 -2,-2.2 1,-0.1 382,-0.1 -0.815 99.3 -96.4-123.9 166.3 39.1 75.2 10.6 68 98 A T > - 0 0 13 -2,-0.3 4,-2.9 -4,-0.2 -4,-0.4 -0.354 41.6 -98.5 -77.6 166.9 42.3 74.7 8.6 69 99 A F H > S+ 0 0 15 -6,-0.4 4,-2.6 1,-0.2 -5,-0.2 0.945 125.8 44.1 -46.7 -54.3 44.5 71.6 9.1 70 100 A E H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.865 111.4 52.5 -65.3 -36.7 46.8 73.5 11.4 71 101 A E H > S+ 0 0 66 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.954 112.8 45.1 -64.0 -48.0 44.1 75.2 13.3 72 102 A Y H X>S+ 0 0 10 -4,-2.9 4,-3.0 1,-0.2 5,-1.8 0.919 111.6 53.4 -60.4 -43.1 42.4 71.9 14.0 73 103 A Y H <>S+ 0 0 5 -4,-2.6 5,-2.4 -5,-0.3 6,-0.3 0.938 115.4 39.3 -59.3 -44.8 45.7 70.3 15.0 74 104 A Q H <5S+ 0 0 65 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.882 123.3 40.2 -72.1 -38.2 46.5 73.1 17.5 75 105 A H H <5S- 0 0 100 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.798 136.9 -11.9 -84.3 -29.0 42.9 73.4 18.8 76 106 A D T >X5S+ 0 0 25 -4,-3.0 4,-2.5 -5,-0.2 3,-0.5 0.607 117.9 60.0-134.6 -58.9 41.8 69.7 19.0 77 107 A T H 3> S+ 0 0 74 -3,-0.5 4,-2.6 -6,-0.3 5,-0.2 0.895 110.5 51.3 -74.3 -38.5 45.1 67.2 22.4 80 110 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.941 115.4 41.5 -61.5 -47.5 43.1 64.1 21.2 81 111 A L H X S+ 0 0 4 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.907 113.7 51.7 -69.9 -38.3 46.3 62.3 20.4 82 112 A S H X S+ 0 0 60 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.937 114.7 43.1 -63.0 -45.8 48.2 63.4 23.5 83 113 A N H X S+ 0 0 21 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.823 109.8 56.7 -70.3 -29.8 45.4 62.2 25.7 84 114 A A H X S+ 0 0 4 -4,-2.0 4,-2.6 -5,-0.2 5,-0.4 0.919 108.1 49.2 -64.8 -42.3 44.9 59.0 23.7 85 115 A L H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.965 115.4 42.9 -61.5 -48.7 48.6 58.2 24.4 86 116 A R H X S+ 0 0 130 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.966 117.3 45.4 -62.0 -54.1 48.2 58.9 28.1 87 117 A H H X S+ 0 0 7 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.866 115.3 44.1 -61.5 -40.0 44.9 57.1 28.5 88 118 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.864 111.9 54.7 -72.4 -36.8 45.8 54.0 26.6 89 119 A H H < S+ 0 0 86 -4,-2.1 -2,-0.2 -5,-0.4 -1,-0.2 0.950 115.4 39.4 -59.0 -45.0 49.1 53.8 28.3 90 120 A D H < S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.597 116.7 49.3 -81.3 -15.2 47.4 53.9 31.7 91 121 A N >< - 0 0 31 -4,-1.1 3,-2.0 -5,-0.2 -1,-0.2 -0.774 67.4-168.8-128.8 87.2 44.4 51.6 30.9 92 122 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.729 84.5 50.3 -45.9 -33.6 45.7 48.4 29.2 93 123 A E T 3 S+ 0 0 147 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.595 86.1 100.7 -86.7 -13.8 42.3 47.2 28.2 94 124 A M < - 0 0 2 -3,-2.0 2,-0.3 -7,-0.2 -3,-0.1 -0.455 55.6-165.0 -70.4 147.2 41.1 50.5 26.5 95 125 A K - 0 0 32 -40,-0.1 2,-0.3 252,-0.1 33,-0.2 -0.867 11.7-179.5-130.2 164.2 41.3 50.6 22.7 96 126 A F E - j 0 128C 0 31,-2.0 33,-2.5 -2,-0.3 2,-0.3 -0.952 14.8-145.5-164.3 141.3 41.2 53.3 20.0 97 127 A I E -ij 58 129C 3 -40,-1.7 -38,-0.5 -2,-0.3 2,-0.4 -0.894 11.6-162.4-114.6 148.9 41.4 53.4 16.2 98 128 A W E + j 0 130C 2 31,-2.4 33,-2.2 -2,-0.3 35,-0.2 -0.996 14.0 174.2-134.1 132.4 43.0 56.2 14.1 99 129 A A + 0 0 7 -2,-0.4 2,-1.0 -40,-0.3 35,-0.4 0.832 57.0 74.9-103.4 -41.3 42.5 56.9 10.4 100 130 A E >> - 0 0 4 1,-0.2 4,-1.9 33,-0.1 3,-0.6 -0.654 44.8-179.7 -89.7 100.2 44.3 60.1 9.3 101 131 A I H 3> S+ 0 0 0 33,-2.3 4,-3.3 -2,-1.0 5,-0.4 0.781 77.6 70.8 -67.4 -24.1 48.0 59.8 9.1 102 132 A S H 3> S+ 0 0 4 33,-2.1 4,-1.4 32,-0.4 -1,-0.2 0.939 108.3 37.0 -56.5 -44.4 48.5 63.4 8.1 103 133 A Y H <> S+ 0 0 0 -3,-0.6 4,-2.4 32,-0.3 -1,-0.2 0.894 116.9 51.7 -73.0 -42.6 47.6 64.4 11.6 104 134 A F H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-0.2 0.916 109.6 48.6 -63.4 -42.8 49.3 61.4 13.3 105 135 A A H X S+ 0 0 4 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.897 111.1 51.3 -62.2 -41.4 52.6 62.1 11.5 106 136 A R H X S+ 0 0 66 -4,-1.4 4,-0.7 -5,-0.4 -2,-0.2 0.925 115.3 43.0 -60.5 -45.5 52.4 65.8 12.5 107 137 A F H >X S+ 0 0 11 -4,-2.4 3,-1.1 1,-0.2 4,-0.7 0.958 112.0 51.5 -65.1 -55.2 51.8 64.8 16.1 108 138 A Y H >< S+ 0 0 5 -4,-3.2 3,-1.1 1,-0.3 -2,-0.2 0.868 105.6 54.4 -53.9 -44.3 54.5 62.0 16.3 109 139 A H H 3< S+ 0 0 84 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.768 107.2 52.5 -66.4 -21.8 57.3 64.1 15.0 110 140 A D H << S+ 0 0 99 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.580 90.6 102.6 -85.4 -11.5 56.6 66.7 17.7 111 141 A L S << S- 0 0 26 -3,-1.1 2,-0.1 -4,-0.7 -3,-0.0 -0.415 76.6-115.2 -74.2 146.4 56.8 64.1 20.5 112 142 A G > - 0 0 49 -2,-0.1 4,-2.2 1,-0.1 3,-0.4 -0.385 35.3-103.4 -73.0 160.9 59.8 63.7 22.7 113 143 A E H > S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.851 120.5 57.5 -55.7 -36.2 61.7 60.4 22.4 114 144 A N H > S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.946 111.0 41.6 -63.2 -43.8 60.2 59.1 25.6 115 145 A K H > S+ 0 0 95 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.816 108.1 60.6 -72.3 -32.1 56.6 59.5 24.3 116 146 A K H X S+ 0 0 36 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.897 107.3 47.2 -60.5 -38.1 57.5 58.2 20.8 117 147 A L H X S+ 0 0 98 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.892 110.8 50.1 -71.9 -39.4 58.5 55.0 22.5 118 148 A Q H X S+ 0 0 42 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.920 112.5 48.8 -63.2 -40.6 55.3 54.9 24.6 119 149 A M H X S+ 0 0 2 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.930 108.6 51.8 -64.6 -47.2 53.3 55.4 21.4 120 150 A K H X S+ 0 0 89 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.880 109.7 51.9 -58.6 -35.7 55.1 52.7 19.5 121 151 A S H X S+ 0 0 56 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.882 106.7 49.3 -74.0 -34.3 54.4 50.3 22.3 122 152 A I H <>S+ 0 0 4 -4,-1.8 6,-2.3 2,-0.2 5,-1.0 0.708 115.5 46.9 -75.8 -14.3 50.6 50.9 22.5 123 153 A V H ><5S+ 0 0 13 -4,-1.3 3,-1.8 4,-0.2 -2,-0.2 0.908 112.5 48.5 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