==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-04 1T1E . COMPND 2 MOLECULE: KUMAMOLISIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP. MN-32; . AUTHOR M.COMELLAS-BIGLER,K.MASKOS,R.HUBER,H.OYAMA,K.ODA,W.BODE . 534 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20987.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 30 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 2 0 0 1 3 0 0 2 1 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 3 1 1 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 . 4 5 3 1 2 1 1 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 . 5 2 2 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 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 12 A E 0 0 194 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.4 106.7 44.3 -7.9 2 13 A K - 0 0 173 136,-0.1 137,-3.0 1,-0.1 138,-0.3 -0.251 360.0-139.4 -59.9 145.5 103.5 45.3 -6.0 3 14 A R E -A 138 0A 96 135,-0.3 2,-0.4 136,-0.1 -1,-0.1 -0.758 11.2-156.5-107.8 155.6 102.6 43.3 -2.9 4 15 A E E -A 137 0A 98 133,-2.7 133,-2.2 -2,-0.3 2,-0.2 -0.997 19.6-119.3-137.0 134.4 99.2 42.2 -1.8 5 16 A V E -A 136 0A 61 -2,-0.4 2,-0.7 131,-0.2 131,-0.2 -0.468 23.7-136.9 -69.7 135.9 97.9 41.2 1.7 6 17 A L > - 0 0 10 129,-2.3 3,-0.9 -2,-0.2 129,-0.4 -0.886 30.7-116.2 -95.1 118.1 96.7 37.7 1.9 7 18 A A T 3 S+ 0 0 86 -2,-0.7 -1,-0.0 1,-0.2 127,-0.0 -0.132 90.8 29.0 -55.2 145.8 93.4 37.8 3.9 8 19 A G T 3 S+ 0 0 27 307,-0.1 308,-2.7 308,-0.1 309,-0.4 0.573 90.7 95.2 83.4 13.1 93.2 36.0 7.2 9 20 A H < + 0 0 0 -3,-0.9 2,-0.1 306,-0.2 -2,-0.1 0.372 45.0 128.7-114.3 3.1 96.8 36.3 8.3 10 21 A A + 0 0 66 124,-0.1 2,-0.4 -4,-0.1 124,-0.2 -0.399 33.2 179.1 -65.5 134.5 96.8 39.5 10.5 11 22 A R B -B 133 0B 42 122,-2.6 122,-2.6 -2,-0.1 2,-0.2 -0.999 19.2-164.1-139.5 132.6 98.3 39.0 13.9 12 23 A R - 0 0 184 -2,-0.4 119,-0.1 120,-0.2 2,-0.0 -0.651 54.4 -74.3-101.3 168.1 98.9 41.2 16.9 13 24 A Q - 0 0 94 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.385 60.4-108.1 -62.1 139.6 101.4 40.1 19.6 14 25 A A > - 0 0 26 1,-0.1 3,-2.1 2,-0.1 -1,-0.1 -0.396 37.4 -93.8 -71.3 147.2 99.7 37.3 21.7 15 26 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.410 112.5 10.7 -61.8 133.1 98.6 38.1 25.2 16 27 A Q T 3 S+ 0 0 122 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.365 96.3 130.6 78.9 -3.0 101.4 37.1 27.6 17 28 A A < - 0 0 10 -3,-2.1 2,-0.5 106,-0.1 -1,-0.3 -0.639 44.7-153.9 -82.8 140.1 103.9 36.6 24.8 18 29 A V E -C 122 0C 78 104,-2.6 104,-2.3 -2,-0.3 2,-0.2 -0.968 15.4-126.3-118.8 121.8 107.3 38.3 25.3 19 30 A D E -C 121 0C 53 -2,-0.5 102,-0.2 102,-0.2 -6,-0.0 -0.469 25.1-178.5 -67.4 127.5 109.4 39.3 22.3 20 31 A K E - 0 0 120 100,-2.9 101,-0.2 1,-0.4 -1,-0.1 0.048 53.5 -76.4-116.3 22.7 112.9 37.9 22.7 21 32 A G E - 0 0 17 99,-0.4 99,-3.0 2,-0.0 -1,-0.4 -0.271 64.8 -47.2 107.5 166.4 114.4 39.3 19.5 22 33 A P E -C 119 0C 56 0, 0.0 2,-0.5 0, 0.0 97,-0.3 -0.367 57.7-107.9 -71.4 150.4 114.4 38.6 15.8 23 34 A V + 0 0 15 95,-2.5 2,-0.2 84,-0.1 95,-0.1 -0.701 62.4 147.2 -75.6 127.1 114.8 35.0 14.5 24 35 A T > + 0 0 90 -2,-0.5 3,-0.7 83,-0.1 83,-0.1 -0.593 32.2 80.1-140.3-156.2 118.4 35.1 13.0 25 36 A G T 3 S- 0 0 74 1,-0.2 -2,-0.1 -2,-0.2 -1,-0.0 0.149 95.7-117.3 69.8 -24.8 121.4 32.9 12.4 26 37 A D T 3 + 0 0 49 1,-0.1 -1,-0.2 80,-0.0 2,-0.1 0.973 45.6 179.2 55.8 66.7 119.2 31.8 9.6 27 38 A Q < - 0 0 158 -3,-0.7 80,-0.8 1,-0.1 2,-0.4 -0.392 43.7 -85.5 -80.9 171.0 118.6 28.1 10.3 28 39 A R E -E 106 0D 132 78,-0.2 2,-0.4 -2,-0.1 -1,-0.1 -0.652 50.5-174.4 -85.3 134.7 116.3 26.4 7.8 29 40 A I E -E 105 0D 10 76,-2.7 76,-1.7 -2,-0.4 2,-0.3 -0.965 10.9-145.0-130.3 149.2 112.6 26.7 8.4 30 41 A S E +E 104 0D 63 -2,-0.4 2,-0.3 74,-0.2 74,-0.2 -0.854 14.4 179.4-115.5 147.8 109.6 25.2 6.7 31 42 A V E -E 103 0D 2 72,-2.9 72,-2.7 -2,-0.3 2,-0.5 -0.919 23.9-126.3-137.2 161.9 106.1 26.5 6.0 32 43 A T E -EF 102 149D 4 117,-2.4 117,-3.2 -2,-0.3 2,-0.5 -0.953 18.1-159.6-113.4 126.0 103.0 25.1 4.3 33 44 A V E -EF 101 148D 0 68,-3.1 68,-2.2 -2,-0.5 2,-0.6 -0.895 8.2-147.4-105.4 136.6 101.3 27.0 1.5 34 45 A V E -EF 100 147D 2 113,-3.0 112,-3.2 -2,-0.5 113,-1.3 -0.924 19.5-154.4-104.3 119.0 97.7 26.2 0.6 35 46 A L E - F 0 145D 0 64,-2.7 110,-0.2 -2,-0.6 109,-0.1 -0.564 21.6-101.8 -93.9 156.9 97.0 26.7 -3.1 36 47 A R - 0 0 97 108,-2.1 2,-0.3 -2,-0.2 37,-0.3 -0.334 44.7-150.2 -65.6 159.5 93.8 27.5 -4.8 37 48 A R > - 0 0 28 35,-0.2 3,-0.7 39,-0.0 35,-0.2 -0.888 18.2 -88.6-134.3 164.0 92.2 24.4 -6.5 38 49 A Q T 3 S+ 0 0 74 33,-2.1 31,-0.0 -2,-0.3 34,-0.0 -0.485 102.5 1.4 -75.4 139.4 90.1 23.5 -9.5 39 50 A R T 3> S+ 0 0 150 -2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.845 73.4 157.5 55.0 44.8 86.3 23.5 -9.1 40 51 A G H <> S+ 0 0 35 -3,-0.7 4,-1.8 1,-0.2 5,-0.2 0.877 71.6 51.1 -65.4 -39.2 86.2 24.6 -5.4 41 52 A D H > S+ 0 0 144 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 108.5 51.7 -65.9 -40.8 82.7 26.0 -5.6 42 53 A E H > S+ 0 0 83 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.874 106.8 54.9 -62.5 -38.5 81.4 22.7 -7.2 43 54 A L H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.945 110.1 44.2 -59.7 -51.4 83.0 20.7 -4.4 44 55 A E H X S+ 0 0 106 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.917 116.3 47.9 -60.0 -44.8 81.2 22.7 -1.6 45 56 A A H X S+ 0 0 52 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.870 106.7 56.9 -64.7 -40.0 77.9 22.6 -3.6 46 57 A H H X S+ 0 0 34 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.908 113.3 39.9 -58.3 -45.1 78.2 18.8 -4.2 47 58 A V H X S+ 0 0 4 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.945 115.8 49.4 -69.0 -50.0 78.5 18.2 -0.4 48 59 A E H < S+ 0 0 110 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.705 114.3 50.2 -60.9 -21.3 75.8 20.7 0.5 49 60 A R H >< S+ 0 0 197 -4,-1.6 3,-1.5 -5,-0.2 -1,-0.2 0.887 101.6 57.2 -84.0 -47.6 73.7 19.1 -2.2 50 61 A Q H >< S+ 0 0 19 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.583 85.5 85.8 -62.1 -11.1 74.1 15.5 -1.0 51 62 A A T 3< S+ 0 0 23 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.857 78.8 62.6 -59.7 -36.0 72.7 16.5 2.3 52 63 A A T < S+ 0 0 87 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.3 0.176 97.7 78.5 -76.3 19.6 69.2 16.0 1.0 53 64 A L S < S- 0 0 77 -3,-1.5 5,-0.1 2,-0.0 429,-0.1 -0.995 88.0-114.0-133.9 135.3 70.2 12.3 0.6 54 65 A A > - 0 0 46 -2,-0.4 3,-1.6 1,-0.2 4,-0.2 -0.470 34.2-119.3 -64.8 131.3 70.4 9.5 3.1 55 66 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.2 0, 0.0 477,-0.1 0.442 109.6 67.2 -53.3 -0.6 74.1 8.5 3.4 56 67 A H T 3 S+ 0 0 53 1,-0.1 -2,-0.1 477,-0.1 420,-0.1 0.096 111.2 30.3-108.4 20.8 73.1 5.0 2.2 57 68 A A S < S+ 0 0 67 -3,-1.6 -1,-0.1 -4,-0.1 2,-0.1 0.130 97.1 114.0-159.0 14.3 72.2 6.1 -1.3 58 69 A R - 0 0 33 -4,-0.2 2,-0.6 -5,-0.1 -7,-0.0 -0.419 62.6-123.4 -91.6 169.2 74.5 9.1 -1.7 59 70 A V - 0 0 92 -2,-0.1 2,-0.3 -3,-0.0 273,-0.1 -0.936 28.4-175.1-117.3 109.0 77.4 9.6 -4.1 60 71 A H - 0 0 60 -2,-0.6 271,-0.2 271,-0.1 270,-0.1 -0.725 27.4-107.4-103.0 155.2 80.8 10.4 -2.6 61 72 A L - 0 0 39 269,-2.9 2,-0.4 -2,-0.3 -1,-0.1 -0.296 30.1-122.6 -74.2 163.2 83.9 11.2 -4.5 62 73 A E >> - 0 0 102 1,-0.1 4,-1.8 -2,-0.0 3,-1.1 -0.880 9.7-130.4-112.1 142.5 86.9 8.8 -4.8 63 74 A R H 3> S+ 0 0 43 -2,-0.4 4,-0.9 1,-0.3 -1,-0.1 0.855 106.6 54.8 -55.1 -41.4 90.5 9.5 -3.8 64 75 A E H 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.694 115.8 37.3 -68.9 -22.3 91.9 8.4 -7.1 65 76 A A H <> S+ 0 0 56 -3,-1.1 4,-1.8 2,-0.1 5,-0.2 0.597 100.0 79.6-101.6 -18.6 89.8 10.8 -9.1 66 77 A F H X>S+ 0 0 1 -4,-1.8 4,-3.5 1,-0.2 5,-0.5 0.898 86.6 54.8 -58.5 -47.9 89.9 13.7 -6.7 67 78 A A H X5S+ 0 0 31 -4,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.920 111.5 44.1 -54.6 -47.3 93.3 15.0 -7.6 68 79 A A H 45S+ 0 0 81 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.875 124.3 34.5 -67.4 -36.5 92.5 15.4 -11.3 69 80 A S H <5S+ 0 0 40 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.784 138.1 10.8 -91.0 -28.5 89.1 16.9 -10.7 70 81 A H H <5S+ 0 0 8 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.290 98.6 102.6-136.2 9.6 89.6 19.0 -7.5 71 82 A G S < - 0 0 42 -37,-0.3 4,-2.1 -2,-0.2 5,-0.2 -0.396 10.4-127.7 -78.8 151.2 97.0 22.3 -10.9 74 85 A L H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.862 112.3 58.6 -63.9 -33.1 100.5 21.5 -12.0 75 86 A D H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.911 106.3 48.7 -61.7 -40.0 100.7 24.9 -13.7 76 87 A D H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 108.7 51.6 -68.1 -38.9 100.0 26.5 -10.3 77 88 A F H X S+ 0 0 15 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.902 107.8 54.8 -61.8 -37.3 102.6 24.4 -8.6 78 89 A A H X S+ 0 0 45 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.912 108.9 46.6 -61.7 -41.7 105.1 25.6 -11.3 79 90 A E H X S+ 0 0 89 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.888 111.0 51.8 -68.2 -37.7 104.3 29.2 -10.5 80 91 A I H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.916 109.5 50.7 -64.4 -39.2 104.6 28.5 -6.7 81 92 A R H X S+ 0 0 112 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.895 109.2 50.4 -64.4 -39.9 108.1 27.0 -7.4 82 93 A K H X S+ 0 0 129 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.925 111.6 48.4 -62.5 -44.3 109.1 30.1 -9.5 83 94 A F H X S+ 0 0 15 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.925 112.5 49.4 -61.3 -44.5 108.0 32.3 -6.5 84 95 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 3,-1.4 0.965 112.3 46.1 -60.4 -52.2 109.9 30.1 -4.2 85 96 A E H ><5S+ 0 0 139 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.889 107.4 58.4 -57.7 -41.4 113.1 30.2 -6.3 86 97 A A H 3<5S+ 0 0 79 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.640 113.9 38.7 -64.5 -16.1 112.8 33.9 -6.7 87 98 A H T <<5S- 0 0 46 -3,-1.4 -1,-0.3 -4,-0.7 26,-0.3 0.216 120.7 -98.8-119.9 13.9 112.9 34.4 -3.0 88 99 A G T < 5S+ 0 0 47 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.670 82.7 123.5 80.1 16.3 115.5 31.8 -2.0 89 100 A L < - 0 0 4 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.3 -0.697 51.8-137.7-104.9 161.1 113.0 29.1 -0.9 90 101 A T E -G 104 0D 58 14,-2.5 14,-1.8 -2,-0.2 2,-1.1 -0.913 13.5-131.6-116.9 143.9 112.7 25.5 -2.2 91 102 A L E +G 103 0D 11 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.855 33.2 177.8 -93.8 100.4 109.4 23.7 -3.0 92 103 A D E + 0 0 83 10,-2.1 2,-0.3 -2,-1.1 -1,-0.2 0.859 57.7 3.3 -74.8 -41.1 110.2 20.5 -1.0 93 104 A R E -G 102 0D 147 9,-1.1 9,-2.6 2,-0.0 2,-0.4 -0.981 58.9-152.0-153.5 139.2 107.0 18.6 -1.5 94 105 A A E -G 101 0D 38 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.866 0.7-162.8-110.6 143.5 103.7 19.0 -3.4 95 106 A H E >> -G 100 0D 43 5,-2.9 5,-1.8 -2,-0.4 4,-1.6 -0.882 11.0-174.1-125.9 94.1 100.4 17.5 -2.3 96 107 A V T 45S+ 0 0 51 -2,-0.5 -24,-2.4 2,-0.2 -1,-0.2 0.930 77.7 42.3 -59.5 -54.0 98.2 17.7 -5.4 97 108 A A T 45S+ 0 0 19 -26,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.932 119.3 44.0 -61.2 -48.0 94.9 16.5 -4.2 98 109 A A T 45S- 0 0 7 2,-0.1 -1,-0.2 -27,-0.1 -2,-0.2 0.731 106.8-131.4 -68.4 -21.9 95.0 18.4 -0.9 99 110 A G T <5 + 0 0 0 -4,-1.6 -64,-2.7 1,-0.3 2,-0.3 0.927 61.7 120.1 71.1 46.6 96.3 21.5 -2.8 100 111 A T E < -EG 34 95D 1 -5,-1.8 -5,-2.9 -66,-0.2 2,-0.3 -0.914 41.2-164.0-137.8 164.3 99.3 22.3 -0.6 101 112 A A E -EG 33 94D 0 -68,-2.2 -68,-3.1 -2,-0.3 2,-0.5 -0.994 17.7-132.8-147.6 146.0 103.0 22.5 -0.8 102 113 A V E -EG 32 93D 19 -9,-2.6 -10,-2.1 -2,-0.3 -9,-1.1 -0.894 25.7-174.2-101.5 127.3 105.9 22.6 1.7 103 114 A L E -EG 31 91D 0 -72,-2.7 -72,-2.9 -2,-0.5 2,-0.3 -0.931 2.6-176.8-119.6 145.4 108.5 25.4 1.2 104 115 A S E +EG 30 90D 1 -14,-1.8 -14,-2.5 -2,-0.4 -74,-0.2 -0.955 16.3 125.4-139.3 159.1 111.7 25.8 3.2 105 116 A G E -E 29 0D 0 -76,-1.7 -76,-2.7 -2,-0.3 -16,-0.1 -0.949 59.9 -52.5 170.9 176.9 114.6 28.2 3.4 106 117 A P E >> -E 28 0D 43 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.323 59.3-104.8 -67.6 157.9 116.6 30.4 5.7 107 118 A V H 3> S+ 0 0 0 -80,-0.8 4,-3.3 1,-0.3 5,-0.3 0.876 119.7 58.3 -52.5 -43.0 114.6 32.9 7.8 108 119 A D H 3> S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.885 108.5 47.3 -56.3 -37.4 115.6 35.9 5.7 109 120 A A H <> S+ 0 0 10 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.893 112.5 47.1 -70.8 -42.3 114.1 34.2 2.7 110 121 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 6,-0.3 0.937 112.7 51.3 -64.4 -44.6 110.8 33.3 4.5 111 122 A N H X>S+ 0 0 21 -4,-3.3 5,-1.6 1,-0.2 4,-0.9 0.935 114.5 42.8 -55.9 -49.5 110.6 36.9 5.8 112 123 A Q H <5S+ 0 0 130 -4,-2.2 3,-0.4 -5,-0.3 -1,-0.2 0.910 112.5 51.9 -66.0 -43.2 111.1 38.3 2.3 113 124 A A H <5S+ 0 0 0 -4,-2.7 -1,-0.2 -26,-0.3 -2,-0.2 0.886 121.8 30.0 -62.4 -39.9 108.8 35.9 0.5 114 125 A F H <5S- 0 0 0 -4,-2.2 22,-1.9 -5,-0.2 -1,-0.2 0.338 104.6-116.8-107.2 7.3 105.9 36.5 2.9 115 126 A G T <5S+ 0 0 34 -4,-0.9 19,-0.3 -3,-0.4 2,-0.3 0.852 74.0 116.9 61.8 37.7 106.4 40.1 4.0 116 127 A V < - 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