==== 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-JAN-08 3BUQ . 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) . 36046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 656 64.6 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 . 207 20.4 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 . 87 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 7 7 3 5 3 4 3 3 2 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 0 242 0, 0.0 2,-0.1 0, 0.0 1002,-0.1 0.000 360.0 360.0 360.0 127.2 45.2 34.3 -19.0 2 31 A a - 0 0 56 1,-0.1 2,-0.2 1000,-0.0 1000,-0.0 -0.394 360.0-116.1 -71.3 138.7 43.3 37.5 -18.7 3 32 A Q - 0 0 62 1001,-0.1 2,-0.6 -2,-0.1 -1,-0.1 -0.493 32.5-114.0 -62.9 143.8 39.6 37.6 -17.7 4 33 A D > - 0 0 56 -2,-0.2 4,-0.5 1,-0.1 220,-0.2 -0.723 29.0-169.5 -84.4 120.5 37.4 38.9 -20.4 5 34 A V T 4 S+ 0 0 4 -2,-0.6 -1,-0.1 1,-0.1 877,-0.1 0.427 76.8 44.3 -95.9 2.0 35.9 42.2 -19.1 6 35 A V T 4 S+ 0 0 17 869,-0.1 871,-0.5 870,-0.1 -1,-0.1 0.832 109.3 40.8-108.2 -48.7 33.4 42.7 -21.9 7 36 A Q T 4 S+ 0 0 124 869,-0.2 2,-0.5 1,-0.1 -2,-0.1 0.566 97.2 67.8 -95.7 -15.9 31.5 39.5 -22.8 8 37 A D < - 0 0 77 -4,-0.5 216,-0.1 214,-0.1 -1,-0.1 -0.945 68.4-144.7-112.3 120.1 30.7 37.7 -19.5 9 38 A V - 0 0 56 -2,-0.5 213,-0.1 871,-0.1 871,-0.1 -0.739 26.6-120.1 -83.7 116.4 28.2 39.2 -17.1 10 39 A P - 0 0 13 0, 0.0 2,-0.9 0, 0.0 214,-0.1 -0.264 17.0-132.9 -53.9 136.3 29.2 38.5 -13.5 11 40 A N + 0 0 143 213,-0.3 2,-0.3 2,-0.0 3,-0.0 -0.860 40.5 165.2 -91.8 106.7 26.6 36.5 -11.5 12 41 A V - 0 0 20 -2,-0.9 3,-0.1 1,-0.1 359,-0.1 -0.881 45.5-128.4-121.7 157.1 26.3 38.4 -8.2 13 42 A D S S+ 0 0 102 -2,-0.3 2,-0.4 1,-0.2 358,-0.2 0.824 101.4 25.8 -69.7 -35.2 23.7 38.3 -5.4 14 43 A V E -a 371 0A 6 356,-1.4 358,-1.9 -3,-0.0 2,-0.5 -0.994 64.5-178.2-132.3 123.6 23.3 42.0 -5.4 15 44 A Q E > -a 372 0A 29 -2,-0.4 4,-3.0 356,-0.2 3,-0.4 -0.978 22.0-145.4-122.4 117.8 24.0 44.2 -8.4 16 45 A M H > S+ 0 0 5 356,-2.5 4,-2.6 -2,-0.5 5,-0.2 0.815 95.9 50.3 -62.1 -36.6 23.4 47.8 -7.6 17 46 A L H > S+ 0 0 34 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.933 115.0 45.2 -62.5 -44.6 22.0 48.9 -11.0 18 47 A E H > S+ 0 0 88 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.926 112.4 51.5 -64.0 -43.7 19.5 46.0 -10.9 19 48 A L H X S+ 0 0 5 -4,-3.0 4,-2.5 1,-0.2 3,-0.5 0.929 108.4 52.0 -58.9 -45.3 18.7 46.7 -7.3 20 49 A Y H < S+ 0 0 20 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 106.1 54.3 -58.1 -39.0 18.0 50.4 -8.1 21 50 A D H < S+ 0 0 83 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.834 116.9 36.6 -67.5 -35.8 15.6 49.4 -10.9 22 51 A R H < S+ 0 0 133 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.798 95.6 94.4 -87.0 -33.6 13.5 47.2 -8.6 23 52 A M < - 0 0 10 -4,-2.5 181,-0.0 -5,-0.2 180,-0.0 -0.274 61.3-148.1 -68.7 150.9 13.5 49.3 -5.3 24 53 A S - 0 0 82 179,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.765 13.3-150.9 -90.8 -29.7 10.7 51.7 -4.5 25 54 A F + 0 0 22 1,-0.2 2,-0.2 178,-0.1 178,-0.1 0.672 30.1 169.4 67.9 19.5 12.6 54.3 -2.5 26 55 A K - 0 0 149 1,-0.1 2,-1.3 177,-0.1 -1,-0.2 -0.460 32.5-140.8 -69.0 132.8 9.5 55.2 -0.4 27 56 A D + 0 0 82 -2,-0.2 2,-0.2 354,-0.0 -1,-0.1 -0.629 37.7 165.4 -95.5 77.2 10.4 57.5 2.5 28 57 A I - 0 0 98 -2,-1.3 2,-0.6 7,-0.1 -2,-0.0 -0.649 46.0-104.9 -95.9 150.8 8.1 56.0 5.2 29 58 A D - 0 0 118 -2,-0.2 6,-0.2 1,-0.1 5,-0.1 -0.650 33.1-173.4 -72.2 113.3 8.3 56.6 8.9 30 59 A G - 0 0 11 4,-2.3 3,-0.4 -2,-0.6 2,-0.3 0.430 40.5-112.0 -90.3 -0.6 9.7 53.4 10.3 31 60 A G S S- 0 0 24 3,-0.3 -1,-0.3 1,-0.2 5,-0.1 -0.854 81.9 -8.0 107.1-145.9 9.3 54.3 14.0 32 61 A V S S+ 0 0 59 -2,-0.3 2,-1.3 1,-0.2 -1,-0.2 0.896 136.9 59.4 -54.7 -38.7 12.2 55.0 16.4 33 62 A W S > S- 0 0 15 -3,-0.4 3,-1.8 1,-0.2 -1,-0.2 -0.772 87.6-164.9 -85.9 92.5 14.4 53.8 13.5 34 63 A K T 3 S+ 0 0 125 -2,-1.3 -4,-2.3 1,-0.3 -3,-0.3 0.795 81.1 33.2 -56.4 -34.8 13.0 56.6 11.3 35 64 A Q T 3 S+ 0 0 24 -6,-0.2 -1,-0.3 -5,-0.1 171,-0.1 0.238 124.2 41.4-109.9 13.0 14.2 55.1 8.0 36 65 A G S < S- 0 0 1 -3,-1.8 2,-0.3 212,-0.1 -8,-0.1 0.130 87.1 -97.4-120.4-124.9 13.8 51.4 8.9 37 66 A W - 0 0 70 -2,-0.0 2,-0.9 169,-0.0 -7,-0.1 -0.911 48.0 -71.6-157.2 170.1 11.2 49.3 10.8 38 67 A N - 0 0 111 -2,-0.3 2,-0.1 -6,-0.1 -7,-0.1 -0.665 55.1-140.8 -74.6 103.7 10.7 48.0 14.4 39 68 A I - 0 0 10 -2,-0.9 2,-0.3 1,-0.0 256,-0.1 -0.439 18.4-165.1 -71.6 137.6 13.3 45.2 14.6 40 69 A K - 0 0 182 -2,-0.1 2,-0.3 255,-0.1 -1,-0.0 -0.915 6.2-175.3-119.9 148.6 12.2 42.1 16.4 41 70 A Y - 0 0 65 -2,-0.3 254,-0.1 256,-0.0 253,-0.0 -0.972 30.3-113.8-138.8 159.4 14.4 39.3 17.6 42 71 A D > - 0 0 95 -2,-0.3 3,-2.4 1,-0.1 4,-0.4 -0.832 19.6-148.4 -91.9 116.5 14.0 35.9 19.3 43 72 A P T 3 S+ 0 0 86 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.741 96.0 61.2 -56.8 -20.4 15.4 36.0 22.8 44 73 A L T 3 S+ 0 0 139 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 0.432 76.2 89.2 -87.9 -1.5 16.3 32.3 22.4 45 74 A K S < S+ 0 0 62 -3,-2.4 2,-0.3 2,-0.0 -1,-0.2 0.923 88.3 50.5 -61.0 -44.2 18.7 32.8 19.5 46 75 A Y S S+ 0 0 8 -3,-0.4 2,-0.2 -4,-0.4 5,-0.2 -0.756 71.7 149.8 -98.1 141.5 21.7 33.4 21.8 47 76 A N B > -F 50 0B 66 3,-1.8 3,-1.5 -2,-0.3 293,-0.0 -0.850 61.1 -66.8-154.9-175.4 22.4 30.9 24.6 48 77 A A T 3 S+ 0 0 68 1,-0.3 3,-0.3 -2,-0.2 -2,-0.0 0.790 132.9 38.4 -58.1 -32.1 25.3 29.5 26.7 49 78 A H T 3 S+ 0 0 190 1,-0.2 -1,-0.3 293,-0.0 2,-0.1 0.373 124.0 41.7-100.8 3.0 26.9 27.7 23.7 50 79 A H B < S+F 47 0B 55 -3,-1.5 -3,-1.8 2,-0.0 -1,-0.2 -0.614 77.9 176.0-149.1 79.7 26.1 30.5 21.2 51 80 A K - 0 0 84 -3,-0.3 2,-0.7 -5,-0.2 292,-0.2 -0.549 35.6-115.1 -88.0 152.4 26.8 33.9 22.8 52 81 A L E -g 343 0C 0 290,-2.3 292,-2.4 289,-0.2 2,-0.6 -0.806 31.1-151.5 -79.1 112.8 26.5 37.4 21.1 53 82 A K E -gh 344 304C 73 250,-3.3 252,-3.0 -2,-0.7 2,-0.5 -0.812 12.1-161.0 -92.1 121.2 30.1 38.7 21.1 54 83 A V E -gh 345 305C 0 290,-2.8 292,-2.1 -2,-0.6 2,-0.6 -0.899 9.9-165.3-113.8 124.0 30.1 42.5 21.2 55 84 A F E -gh 346 306C 9 250,-2.9 252,-2.8 -2,-0.5 2,-0.7 -0.919 5.1-161.3-107.3 110.0 33.0 44.8 20.2 56 85 A V E -gh 347 307C 0 290,-2.9 292,-2.3 -2,-0.6 40,-0.1 -0.808 12.8-162.8 -88.9 117.2 32.7 48.4 21.4 57 86 A V E - h 0 308C 0 250,-2.5 252,-3.0 -2,-0.7 292,-0.1 -0.837 5.7-149.4-112.8 100.1 35.2 50.3 19.2 58 87 A P E + h 0 309C 0 0, 0.0 40,-1.8 0, 0.0 2,-0.3 -0.421 29.7 157.5 -67.9 140.6 36.2 53.8 20.4 59 88 A H E -ih 98 310C 2 250,-1.8 252,-0.6 38,-0.2 2,-0.3 -0.958 32.0-146.5-156.9 166.5 37.1 56.3 17.6 60 89 A S E - h 0 311C 7 38,-0.5 2,-0.8 -2,-0.3 40,-0.3 -0.957 18.2-136.8-146.6 119.3 37.3 60.0 16.9 61 90 A H E - h 0 312C 3 250,-2.3 252,-2.5 -2,-0.3 2,-0.6 -0.693 25.4-174.3 -86.6 110.5 36.5 61.5 13.5 62 91 A N - 0 0 0 -2,-0.8 42,-0.1 250,-0.2 39,-0.0 -0.907 11.2-153.3-111.4 110.4 39.2 64.1 12.7 63 92 A D - 0 0 3 -2,-0.6 2,-1.9 1,-0.1 3,-0.1 -0.685 15.1-139.1 -77.5 126.6 38.8 66.2 9.6 64 93 A P S S- 0 0 0 0, 0.0 6,-0.4 0, 0.0 377,-0.1 -0.482 87.7 -19.1 -76.4 63.9 42.1 67.5 8.0 65 94 A G S S+ 0 0 0 -2,-1.9 4,-0.2 4,-0.4 378,-0.1 0.222 81.9 125.9 103.1 132.3 40.3 70.8 7.5 66 95 A W S S+ 0 0 30 2,-2.5 384,-3.0 -3,-0.1 387,-0.2 -0.282 91.3 5.0-166.8 -80.4 36.6 71.6 7.3 67 96 A I S S+ 0 0 47 382,-0.2 2,-0.3 2,-0.1 385,-0.1 0.738 142.3 27.9 -85.3 -31.2 35.3 74.4 9.6 68 97 A Q S S- 0 0 48 -5,-0.1 -2,-2.5 1,-0.1 382,-0.1 -0.835 97.8 -97.3-120.9 163.7 38.9 75.1 10.7 69 98 A T > - 0 0 12 -2,-0.3 4,-2.7 -4,-0.2 -4,-0.4 -0.283 41.0 -99.7 -68.5 164.9 42.2 74.5 8.7 70 99 A F H > S+ 0 0 14 -6,-0.4 4,-2.3 1,-0.2 -5,-0.2 0.938 125.9 43.9 -46.1 -54.1 44.4 71.4 9.2 71 100 A E H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.862 111.0 53.0 -67.7 -36.5 46.7 73.4 11.5 72 101 A E H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.937 113.3 43.9 -63.5 -46.6 43.9 75.1 13.5 73 102 A Y H X>S+ 0 0 10 -4,-2.7 4,-2.9 2,-0.2 5,-1.9 0.903 111.4 54.3 -61.5 -43.4 42.2 71.7 14.2 74 103 A Y H <>S+ 0 0 7 -4,-2.3 5,-2.7 -5,-0.3 6,-0.3 0.946 115.4 39.4 -57.5 -47.8 45.6 70.2 15.1 75 104 A Q H <5S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.880 124.3 37.9 -66.7 -41.5 46.3 72.9 17.7 76 105 A H H <5S- 0 0 98 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.769 137.6 -7.9 -85.0 -28.0 42.8 73.2 19.1 77 106 A D T X5S+ 0 0 21 -4,-2.9 4,-2.3 -5,-0.2 3,-0.4 0.646 118.8 56.6-135.6 -63.9 41.7 69.6 19.1 78 107 A T H > S+ 0 0 75 -3,-0.4 4,-2.7 -6,-0.3 -2,-0.2 0.892 110.0 52.8 -72.9 -42.1 44.9 67.0 22.6 81 110 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.962 115.1 41.5 -52.4 -51.9 43.0 63.9 21.4 82 111 A L H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.858 114.3 50.7 -69.9 -34.6 46.2 62.1 20.5 83 112 A S H X S+ 0 0 66 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.927 114.5 44.7 -67.6 -44.1 48.1 63.2 23.7 84 113 A N H X S+ 0 0 16 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.846 110.5 54.4 -67.5 -33.9 45.1 62.0 25.8 85 114 A A H X S+ 0 0 4 -4,-2.5 4,-2.8 -5,-0.2 5,-0.4 0.938 109.7 48.5 -63.5 -46.1 44.9 58.8 23.8 86 115 A L H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.966 115.5 42.6 -55.5 -55.4 48.6 58.1 24.5 87 116 A R H X S+ 0 0 130 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.949 118.3 45.0 -56.0 -52.6 48.2 58.8 28.2 88 117 A H H X S+ 0 0 6 -4,-2.8 4,-1.6 2,-0.2 7,-0.2 0.885 115.1 44.4 -66.9 -42.6 44.9 56.9 28.6 89 118 A L H < S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.904 112.4 54.6 -68.1 -40.5 45.8 53.8 26.6 90 119 A H H < S+ 0 0 84 -4,-2.3 -2,-0.2 -5,-0.4 -1,-0.2 0.960 116.1 37.4 -51.9 -49.6 49.1 53.7 28.4 91 120 A D H < S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.643 118.5 48.6 -79.6 -21.7 47.4 53.8 31.9 92 121 A N >< - 0 0 27 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.2 -0.853 64.8-172.7-127.7 88.7 44.4 51.5 31.0 93 122 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.659 83.7 55.9 -62.4 -23.1 45.7 48.4 29.2 94 123 A E T 3 S+ 0 0 79 2,-0.1 253,-0.2 254,-0.0 2,-0.1 0.603 86.5 101.1 -79.8 -18.2 42.2 47.1 28.4 95 124 A M < - 0 0 1 -3,-1.8 2,-0.3 -7,-0.2 -3,-0.0 -0.434 54.7-165.1 -74.9 146.0 41.2 50.4 26.6 96 125 A K + 0 0 35 -40,-0.1 2,-0.3 -2,-0.1 33,-0.2 -0.886 10.2 179.2-129.0 157.8 41.2 50.4 22.8 97 126 A F E - j 0 129C 1 31,-2.3 33,-2.7 -2,-0.3 2,-0.4 -0.971 15.5-145.7-159.5 141.3 41.2 53.2 20.1 98 127 A I E -ij 59 130C 3 -40,-1.8 -38,-0.5 -2,-0.3 2,-0.4 -0.923 11.4-161.8-113.8 145.0 41.2 53.3 16.3 99 128 A W E + j 0 131C 1 31,-2.4 33,-2.4 -2,-0.4 35,-0.2 -0.986 15.1 170.7-130.1 127.5 42.9 56.0 14.2 100 129 A A + 0 0 7 -2,-0.4 2,-0.9 -40,-0.3 34,-0.4 0.844 57.6 72.1 -99.9 -42.6 42.3 56.8 10.5 101 130 A E > - 0 0 4 1,-0.2 4,-1.7 33,-0.1 3,-0.4 -0.666 47.5-179.3 -95.7 101.9 44.0 60.0 9.5 102 131 A I H > S+ 0 0 0 33,-2.5 4,-3.5 -2,-0.9 5,-0.3 0.778 76.3 71.4 -72.8 -22.7 47.8 59.6 9.2 103 132 A S H > S+ 0 0 3 33,-2.2 4,-1.6 32,-0.3 -1,-0.2 0.934 107.7 37.9 -55.4 -47.3 48.3 63.3 8.2 104 133 A Y H > S+ 0 0 0 -3,-0.4 4,-2.3 32,-0.3 -1,-0.2 0.876 115.8 52.5 -68.5 -42.6 47.4 64.3 11.8 105 134 A F H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.946 110.2 47.2 -63.1 -45.3 49.2 61.3 13.3 106 135 A A H X S+ 0 0 4 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.911 111.5 52.3 -58.2 -44.5 52.5 62.0 11.5 107 136 A R H X S+ 0 0 61 -4,-1.6 4,-0.9 -5,-0.3 -1,-0.2 0.888 114.8 42.4 -58.8 -42.3 52.2 65.7 12.6 108 137 A F H >X S+ 0 0 12 -4,-2.3 4,-0.7 2,-0.2 3,-0.6 0.949 113.9 49.1 -68.8 -53.2 51.7 64.7 16.2 109 138 A Y H >< S+ 0 0 10 -4,-3.0 3,-0.7 1,-0.3 -2,-0.2 0.833 104.7 59.0 -58.7 -40.1 54.4 61.9 16.4 110 139 A H H 3< S+ 0 0 144 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.875 107.4 47.6 -57.2 -40.6 57.0 64.2 14.8 111 140 A D H << S+ 0 0 90 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.600 90.6 107.9 -76.0 -13.9 56.6 66.6 17.7 112 141 A L S << S- 0 0 25 -3,-0.7 2,-0.0 -4,-0.7 -3,-0.0 -0.395 71.8-121.6 -67.2 136.3 56.8 63.8 20.4 113 142 A G > - 0 0 48 -2,-0.1 4,-2.2 1,-0.1 3,-0.2 -0.344 36.2-100.5 -65.4 162.8 59.9 63.5 22.6 114 143 A E H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.849 120.8 55.5 -59.7 -37.7 61.6 60.2 22.4 115 144 A N H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.940 111.3 43.7 -60.4 -47.9 60.2 58.8 25.6 116 145 A K H > S+ 0 0 104 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.847 109.2 58.5 -65.8 -38.0 56.6 59.4 24.4 117 146 A K H X S+ 0 0 44 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.905 107.4 47.6 -55.2 -44.8 57.5 58.0 20.9 118 147 A L H X S+ 0 0 99 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.869 110.5 50.6 -67.4 -40.9 58.4 54.7 22.6 119 148 A Q H X S+ 0 0 45 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.880 111.4 50.0 -60.7 -40.3 55.2 54.7 24.7 120 149 A M H X S+ 0 0 2 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.933 109.1 50.0 -62.9 -47.9 53.3 55.3 21.4 121 150 A K H X S+ 0 0 88 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.872 110.2 53.3 -58.0 -37.8 55.0 52.4 19.6 122 151 A S H X S+ 0 0 55 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.877 107.0 47.3 -70.5 -41.5 54.3 50.2 22.5 123 152 A I H <>S+ 0 0 4 -4,-1.8 6,-2.3 2,-0.2 5,-1.0 0.727 116.6 47.4 -72.1 -19.4 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