==== 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 26-DEC-06 2E6B . COMPND 2 MOLECULE: 5'-NUCLEOTIDASE SURE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR W.IWASAKI,K.MIKI . 933 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 575 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 143 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 61 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 0 3 1 0 0 4 8 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 15 4 4 0 0 0 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 . 11 5 2 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 3 0 0 0 0 0 0 3 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 1 A M 0 0 74 0, 0.0 27,-1.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 133.5 65.0 -5.7 -4.8 2 2 A R E -a 28 0A 56 25,-0.2 83,-3.1 81,-0.1 84,-1.6 -0.881 360.0-162.5-104.2 127.4 64.7 -2.6 -2.7 3 3 A I E -ab 29 86A 2 25,-4.3 27,-2.7 -2,-0.5 2,-0.6 -0.931 9.9-154.4-117.8 131.2 61.3 -1.7 -1.2 4 4 A L E -ab 30 87A 0 82,-3.0 84,-3.2 -2,-0.4 2,-0.4 -0.887 14.5-164.2-101.7 122.8 60.1 1.6 0.2 5 5 A V E +ab 31 88A 0 25,-3.2 27,-2.0 -2,-0.6 2,-0.3 -0.920 20.7 148.6-111.5 134.1 57.3 1.2 2.7 6 6 A T E - b 0 89A 0 82,-2.5 84,-2.6 -2,-0.4 2,-0.3 -0.841 15.1-179.3-146.6 179.6 55.1 4.2 3.7 7 7 A N - 0 0 0 82,-0.3 66,-0.1 25,-0.3 4,-0.1 -0.869 34.6-116.2-164.2-168.1 51.5 4.8 4.9 8 8 A D S S+ 0 0 53 -2,-0.3 3,-0.1 2,-0.1 98,-0.1 0.348 97.6 74.8-129.3 6.7 49.3 7.6 5.9 9 9 A D S S- 0 0 54 1,-0.3 3,-0.2 4,-0.0 27,-0.1 0.485 103.0-111.0 -93.5 -6.2 48.6 6.8 9.5 10 10 A G > - 0 0 5 1,-0.2 3,-1.5 2,-0.1 -1,-0.3 -0.188 37.4 -57.4 101.2 167.9 52.1 7.8 10.6 11 11 A I T 3 S+ 0 0 2 23,-0.8 -1,-0.2 1,-0.3 24,-0.1 0.671 126.4 53.4 -61.0 -23.0 55.3 6.3 11.9 12 12 A Y T 3 S+ 0 0 65 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.405 77.2 120.4 -96.6 3.4 53.7 4.7 15.0 13 13 A S X> - 0 0 1 -3,-1.5 4,-1.3 1,-0.2 3,-0.7 -0.491 58.4-146.5 -71.3 129.9 50.9 2.8 13.2 14 14 A P H 3> S+ 0 0 49 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.795 99.5 64.1 -65.6 -24.8 51.1 -1.0 13.7 15 15 A G H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.863 99.4 53.9 -65.6 -33.3 49.8 -1.4 10.1 16 16 A L H <> S+ 0 0 0 -3,-0.7 4,-1.8 -6,-0.2 -1,-0.2 0.937 110.5 43.2 -66.1 -47.9 53.0 0.3 8.9 17 17 A W H X S+ 0 0 21 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.783 109.4 58.2 -72.2 -24.2 55.4 -2.1 10.6 18 18 A A H X S+ 0 0 18 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.905 109.0 45.4 -69.8 -39.9 53.3 -5.1 9.7 19 19 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.861 111.5 52.7 -71.6 -34.4 53.7 -4.2 6.0 20 20 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.935 111.6 45.3 -65.0 -46.0 57.5 -3.6 6.5 21 21 A E H < S+ 0 0 38 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.887 115.9 46.0 -65.3 -40.8 58.0 -7.0 8.1 22 22 A A H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.914 113.5 49.6 -67.4 -43.0 55.9 -8.7 5.4 23 23 A A H >< S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.2 4,-0.4 0.830 98.7 67.9 -64.4 -33.5 57.7 -6.8 2.7 24 24 A S T 3< S+ 0 0 39 -4,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.674 84.1 71.5 -63.5 -17.4 61.1 -7.7 4.1 25 25 A Q T < S+ 0 0 101 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.537 107.0 38.8 -74.9 -2.8 60.5 -11.4 3.2 26 26 A F S < S- 0 0 56 -3,-2.2 2,-0.3 1,-0.4 -1,-0.2 0.415 125.9 -36.6-125.9 -1.0 61.0 -10.2 -0.4 27 27 A G S S- 0 0 23 -3,-0.4 -1,-0.4 -4,-0.4 2,-0.3 -0.941 84.3 -37.2 163.1 176.5 63.8 -7.6 -0.3 28 28 A E E -a 2 0A 111 -27,-1.6 -25,-4.3 -2,-0.3 2,-0.4 -0.485 58.6-154.7 -66.0 123.4 65.5 -4.8 1.5 29 29 A V E -a 3 0A 8 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.840 14.5-176.4-106.5 136.0 62.9 -2.6 3.1 30 30 A F E -a 4 0A 20 -27,-2.7 -25,-3.2 -2,-0.4 2,-0.4 -0.991 14.7-144.3-130.6 139.0 63.2 1.1 4.0 31 31 A V E +ac 5 63A 0 31,-2.8 33,-1.8 -2,-0.4 2,-0.3 -0.875 24.1 165.7-112.6 138.7 60.6 3.1 5.8 32 32 A A E + c 0 64A 0 -27,-2.0 -25,-0.3 -2,-0.4 33,-0.2 -0.881 17.8 178.3-146.6 105.0 59.5 6.7 5.4 33 33 A A E - c 0 65A 0 31,-2.4 33,-3.2 -2,-0.3 -22,-0.2 -0.886 31.1-107.5-116.1 146.8 56.3 7.6 7.1 34 34 A P E - c 0 66A 3 0, 0.0 -23,-0.8 0, 0.0 2,-0.6 -0.290 29.4-126.6 -66.6 153.9 54.4 10.9 7.3 35 35 A D 0 0 44 31,-2.4 -25,-0.1 33,-0.4 30,-0.0 -0.941 360.0 360.0-109.2 115.0 54.4 12.7 10.6 36 36 A T 0 0 129 -2,-0.6 30,-0.1 -27,-0.1 32,-0.1 -0.487 360.0 360.0 139.4 360.0 50.9 13.6 11.8 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 42 A G 0 0 100 0, 0.0 4,-0.1 0, 0.0 67,-0.0 0.000 360.0 360.0 360.0 169.8 47.0 17.3 1.0 39 43 A H + 0 0 43 301,-0.2 32,-0.3 30,-0.1 3,-0.1 0.515 360.0 93.4-124.9 -16.1 48.2 14.5 -1.2 40 44 A A S S- 0 0 53 300,-0.1 2,-0.4 1,-0.1 32,-0.3 -0.226 88.0 -87.5 -76.8 168.8 50.6 16.1 -3.7 41 45 A I - 0 0 20 30,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.665 45.5-117.7 -77.6 127.6 54.3 16.4 -3.3 42 46 A T + 0 0 32 -2,-0.4 391,-0.4 1,-0.2 5,-0.1 -0.550 50.5 153.4 -68.8 113.0 55.2 19.6 -1.4 43 47 A I + 0 0 98 -2,-0.6 -1,-0.2 389,-0.1 390,-0.1 0.635 54.9 77.5-113.1 -23.5 57.2 21.8 -3.7 44 48 A A S S+ 0 0 47 617,-0.1 619,-0.2 388,-0.1 -2,-0.1 0.907 107.7 3.7 -52.9 -51.1 56.4 25.3 -2.3 45 49 A H S S- 0 0 54 616,-0.1 388,-0.3 617,-0.1 2,-0.1 -0.831 88.8 -78.0-134.1 172.4 58.8 25.0 0.6 46 50 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 386,-0.2 -0.358 41.3-138.3 -71.8 151.6 61.4 22.7 2.2 47 51 A V B -J 431 0B 2 384,-2.5 384,-1.8 -5,-0.1 2,-0.3 -0.885 7.4-132.2-114.3 142.7 60.4 19.6 4.2 48 52 A R + 0 0 5 19,-0.5 19,-2.9 -2,-0.4 2,-0.3 -0.689 26.6 173.2 -91.4 145.2 61.8 18.3 7.4 49 53 A A E -D 66 0A 2 380,-0.4 17,-0.2 -2,-0.3 -2,-0.0 -0.942 8.6-167.3-153.1 128.4 62.7 14.6 7.8 50 54 A Y E -D 65 0A 60 15,-2.1 15,-2.4 -2,-0.3 553,-0.0 -0.932 31.7-103.3-122.8 143.4 64.5 12.9 10.7 51 55 A P E -D 64 0A 88 0, 0.0 13,-0.3 0, 0.0 -2,-0.0 -0.351 42.6-157.7 -59.1 141.6 66.0 9.5 11.1 52 56 A H - 0 0 14 11,-3.9 2,-0.5 552,-0.0 11,-0.5 -0.986 14.7-128.3-130.7 131.1 63.6 7.3 13.1 53 57 A P - 0 0 72 0, 0.0 3,-0.1 0, 0.0 11,-0.0 -0.636 33.3-119.4 -77.8 124.4 64.4 4.2 15.2 54 58 A S - 0 0 16 7,-0.5 4,-0.1 -2,-0.5 6,-0.1 -0.211 46.1 -77.0 -58.4 153.0 62.0 1.4 14.2 55 59 A P > - 0 0 48 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.076 35.5-118.4 -54.3 150.1 59.9 0.1 17.1 56 60 A L T 3 S+ 0 0 153 1,-0.3 2,-0.6 -3,-0.1 -2,-0.1 0.871 110.2 51.3 -57.7 -41.7 61.3 -2.3 19.7 57 61 A H T 3 S+ 0 0 130 2,-0.0 -1,-0.3 474,-0.0 474,-0.0 -0.303 102.1 68.2 -98.9 55.1 58.9 -5.1 18.9 58 62 A A S < S- 0 0 25 -3,-0.9 3,-0.1 -2,-0.6 -40,-0.1 -0.956 94.1 -88.9-159.5 150.8 59.5 -5.2 15.2 59 63 A P - 0 0 66 0, 0.0 2,-0.1 0, 0.0 -38,-0.0 -0.231 61.1 -86.4 -60.1 159.2 62.6 -6.2 13.1 60 64 A H + 0 0 140 -6,-0.1 -4,-0.0 -4,-0.0 -3,-0.0 -0.421 51.5 174.2 -71.4 146.4 65.0 -3.4 12.5 61 65 A F - 0 0 12 -2,-0.1 -7,-0.5 -3,-0.1 2,-0.2 -0.976 38.8-112.6-149.9 132.2 64.3 -1.1 9.5 62 66 A P - 0 0 54 0, 0.0 -31,-2.8 0, 0.0 2,-0.3 -0.512 54.1-177.9 -63.4 134.5 66.1 2.0 8.4 63 67 A A E -c 31 0A 7 -11,-0.5 -11,-3.9 -33,-0.2 2,-0.4 -0.989 28.0-162.1-145.2 151.7 63.4 4.6 8.9 64 68 A Y E -cD 32 51A 51 -33,-1.8 -31,-2.4 -2,-0.3 2,-0.6 -0.991 14.1-146.7-132.5 137.1 62.4 8.3 8.5 65 69 A R E -cD 33 50A 34 -15,-2.4 -15,-2.1 -2,-0.4 2,-0.5 -0.881 27.8-156.2 -95.9 124.3 59.7 10.3 10.1 66 70 A V E -cD 34 49A 0 -33,-3.2 -31,-2.4 -2,-0.6 2,-2.0 -0.918 20.2-145.1-114.4 130.6 58.7 12.9 7.4 67 71 A R S S+ 0 0 130 -19,-2.9 -19,-0.5 -2,-0.5 2,-0.2 -0.451 79.3 60.3 -84.5 64.0 57.0 16.3 8.1 68 72 A G S S- 0 0 19 -2,-2.0 -33,-0.4 -21,-0.1 -2,-0.1 -0.851 92.4 -51.8-161.7-162.8 55.1 16.0 4.9 69 73 A T > - 0 0 20 -2,-0.2 4,-1.9 -29,-0.2 5,-0.2 -0.350 51.6-105.0 -85.5 166.7 52.5 14.1 2.9 70 74 A P H > S+ 0 0 12 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.890 125.5 52.9 -57.8 -37.6 52.6 10.3 2.0 71 75 A A H > S+ 0 0 0 -32,-0.3 4,-2.5 1,-0.2 3,-0.5 0.885 104.3 55.1 -64.2 -40.0 53.7 11.4 -1.5 72 76 A D H > S+ 0 0 0 -32,-0.3 4,-3.6 1,-0.2 5,-0.3 0.885 102.2 57.9 -59.1 -40.0 56.5 13.4 0.0 73 77 A C H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.820 107.4 47.5 -60.7 -32.1 57.6 10.3 1.8 74 78 A V H X S+ 0 0 0 -4,-1.1 4,-2.7 -3,-0.5 5,-0.2 0.951 113.1 46.9 -73.5 -50.0 57.9 8.6 -1.6 75 79 A A H X S+ 0 0 5 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.928 118.7 41.5 -56.8 -46.0 59.8 11.5 -3.1 76 80 A L H >X S+ 0 0 0 -4,-3.6 4,-2.3 1,-0.2 3,-1.0 0.930 112.9 55.7 -67.6 -44.1 62.1 11.7 -0.0 77 81 A G H 3X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.868 101.5 54.4 -56.5 -43.8 62.4 7.9 0.1 78 82 A L H 3< S+ 0 0 40 -4,-2.7 -1,-0.3 1,-0.2 4,-0.2 0.746 113.9 45.6 -64.4 -20.7 63.6 7.5 -3.5 79 83 A H H << S+ 0 0 81 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.854 117.2 38.5 -89.5 -40.5 66.4 10.0 -2.6 80 84 A L H < S+ 0 0 48 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.847 133.7 24.8 -79.7 -34.0 67.5 8.7 0.8 81 85 A F S < S- 0 0 17 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.296 98.5-173.6-113.0 7.9 67.2 5.0 -0.1 82 86 A G + 0 0 37 -5,-0.2 -3,-0.1 -4,-0.2 -4,-0.1 -0.105 55.1 51.4 -49.9 145.1 67.6 5.1 -3.9 83 87 A P S S+ 0 0 94 0, 0.0 2,-0.3 0, 0.0 -81,-0.1 0.491 71.6 177.4 -88.5 143.8 67.3 3.1 -6.0 84 88 A V - 0 0 11 1,-0.1 -81,-0.2 -6,-0.1 3,-0.1 -0.833 18.3-173.3-108.3 146.3 63.9 1.7 -5.1 85 89 A D S S+ 0 0 76 -83,-3.1 34,-1.3 -2,-0.3 2,-0.4 0.690 71.8 26.8-107.1 -29.3 62.1 -1.0 -7.1 86 90 A L E -be 3 119A 6 -84,-1.6 -82,-3.0 32,-0.2 2,-0.5 -0.996 58.0-155.0-140.5 142.6 58.8 -1.1 -5.3 87 91 A V E -be 4 120A 0 32,-2.1 34,-1.7 -2,-0.4 2,-0.4 -0.976 16.1-173.3-118.5 119.1 56.7 1.4 -3.2 88 92 A L E -be 5 121A 1 -84,-3.2 -82,-2.5 -2,-0.5 2,-0.5 -0.947 3.1-165.2-114.6 132.9 54.3 -0.2 -0.7 89 93 A S E -be 6 122A 0 32,-2.6 34,-3.5 -2,-0.4 2,-0.3 -0.968 36.4 -25.4-124.1 127.9 51.8 1.9 1.2 90 94 A G E - 0 0 0 -84,-2.6 34,-0.1 -2,-0.5 -71,-0.1 -0.922 17.7-145.5 133.6-160.3 49.8 0.8 4.2 91 95 A V E - 0 0 1 32,-0.4 33,-0.3 -2,-0.3 -1,-0.3 0.217 55.7-161.5 -82.3 112.7 48.6 -1.2 5.9 92 96 A N E - e 0 124A 13 31,-3.3 33,-1.7 -3,-0.3 2,-1.4 -0.246 20.5-128.1 -61.2 143.4 46.1 1.6 6.4 93 97 A L E S+ e 0 125A 31 31,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.724 87.1 35.2 -92.0 87.0 43.7 1.4 9.4 94 98 A G B S-F 125 0A 16 -2,-1.4 31,-0.8 31,-1.4 -3,-0.1 -0.565 95.6 -76.9 142.6 153.9 40.5 1.8 7.5 95 99 A S - 0 0 31 -2,-0.2 30,-0.1 29,-0.2 65,-0.1 -0.216 20.9-165.0 -76.0 166.8 39.2 0.8 4.1 96 100 A N + 0 0 13 28,-0.1 2,-0.3 -4,-0.1 28,-0.1 -0.555 39.2 146.2-150.0 69.3 39.9 2.3 0.7 97 101 A L > - 0 0 4 76,-0.1 3,-2.2 112,-0.0 4,-0.1 -0.821 55.0 -29.2-113.9 151.0 37.1 0.9 -1.4 98 102 A G G > S+ 0 0 0 -2,-0.3 3,-1.3 1,-0.3 4,-0.3 -0.174 132.2 5.8 50.1-124.6 35.1 2.2 -4.3 99 103 A H G > S+ 0 0 60 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.728 120.4 75.2 -61.7 -24.3 34.8 6.0 -4.4 100 104 A E G X S+ 0 0 49 -3,-2.2 3,-1.1 1,-0.2 4,-0.5 0.826 77.8 74.4 -58.9 -33.1 37.1 6.2 -1.4 101 105 A I G X S+ 0 0 0 -3,-1.3 3,-1.0 1,-0.2 -1,-0.2 0.827 86.7 64.3 -50.4 -36.0 40.1 5.5 -3.6 102 106 A W G < S+ 0 0 13 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.865 110.6 32.7 -57.0 -43.0 39.9 9.0 -5.0 103 107 A H G < S+ 0 0 38 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 0.229 88.6 129.2-102.5 14.4 40.7 10.8 -1.7 104 108 A S <> - 0 0 7 -3,-1.0 4,-1.5 -4,-0.5 -8,-0.1 -0.544 40.4-168.3 -79.2 130.0 43.1 8.2 -0.2 105 109 A G H > S+ 0 0 2 -2,-0.3 4,-1.8 2,-0.2 5,-0.2 0.843 94.1 56.4 -77.6 -35.4 46.4 9.3 1.1 106 110 A T H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.921 112.0 42.0 -60.4 -44.6 47.5 5.6 1.3 107 111 A V H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.842 107.8 62.0 -71.9 -33.8 46.7 5.2 -2.4 108 112 A A H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.873 101.3 51.1 -61.4 -39.0 48.3 8.6 -3.2 109 113 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.929 112.3 47.2 -65.0 -42.9 51.7 7.4 -2.0 110 114 A A H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.946 112.2 49.3 -61.1 -49.4 51.4 4.3 -4.1 111 115 A K H X S+ 0 0 6 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.890 107.3 56.5 -57.4 -39.9 50.3 6.4 -7.1 112 116 A Q H X S+ 0 0 20 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.914 105.4 50.5 -59.5 -42.2 53.3 8.7 -6.5 113 117 A G H ><>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.2 3,-0.6 0.922 110.8 49.2 -61.1 -42.1 55.6 5.7 -6.8 114 118 A Y H ><5S+ 0 0 62 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.879 104.8 58.0 -65.1 -37.5 53.9 4.7 -10.1 115 119 A L H 3<5S+ 0 0 15 -4,-2.7 300,-3.1 1,-0.3 -1,-0.2 0.770 104.2 53.8 -63.5 -24.3 54.3 8.3 -11.4 116 120 A F T <<5S- 0 0 23 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.382 127.5 -99.1 -89.7 2.1 58.0 7.9 -10.8 117 121 A G T < 5S+ 0 0 51 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.552 84.5 120.0 94.5 8.3 58.2 4.7 -12.9 118 122 A L < - 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