==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JUL-11 3SZY . COMPND 2 MOLECULE: PHOSPHONOACETATE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR V.AGARWAL,S.K.NAIR . 413 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 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 . 26 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.2 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 2 0 2 1 5 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 1 3 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 PARALLEL BRIDGES PER LADDER . 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 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 4 A M 0 0 235 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.6 2.4 40.7 65.8 2 5 A S - 0 0 97 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.452 360.0-113.6 -71.8 145.4 0.8 41.8 62.5 3 6 A K - 0 0 199 -2,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.502 30.6-121.2 -72.7 148.9 1.1 39.5 59.4 4 7 A I + 0 0 110 -2,-0.2 11,-2.6 11,-0.1 2,-0.3 -0.800 42.1 158.3 -96.5 135.8 3.2 40.9 56.6 5 8 A S E -A 14 0A 39 -2,-0.4 2,-0.4 9,-0.3 7,-0.1 -0.948 35.3-136.0-148.1 166.9 1.6 41.3 53.2 6 9 A V E -A 13 0A 13 7,-2.2 7,-3.1 -2,-0.3 2,-0.5 -1.000 20.5-146.3-126.1 129.1 1.8 43.2 49.8 7 10 A T E +A 12 0A 85 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.879 22.9 172.1-102.9 125.3 -1.4 44.6 48.3 8 11 A V E > -A 11 0A 2 3,-2.5 3,-1.9 -2,-0.5 102,-0.1 -0.998 66.2 -13.9-135.8 123.9 -1.6 44.5 44.5 9 12 A N T 3 S- 0 0 50 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.887 129.5 -50.6 48.9 44.2 -4.7 45.4 42.4 10 13 A G T 3 S+ 0 0 77 1,-0.2 2,-0.4 66,-0.0 -1,-0.3 0.530 116.1 111.2 76.8 8.4 -7.0 45.2 45.4 11 14 A R E < -A 8 0A 55 -3,-1.9 -3,-2.5 2,-0.0 2,-0.7 -0.938 62.5-133.9-119.3 139.3 -5.7 41.8 46.6 12 15 A R E -A 7 0A 165 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.817 17.8-163.7 -97.4 115.5 -3.7 41.0 49.7 13 16 A Y E -A 6 0A 0 -7,-3.1 -7,-2.2 -2,-0.7 393,-0.1 -0.863 16.7-133.3-101.6 113.2 -0.7 38.7 49.2 14 17 A P E -A 5 0A 38 0, 0.0 -9,-0.3 0, 0.0 398,-0.1 -0.300 33.2-101.4 -57.5 145.3 0.8 37.2 52.4 15 18 A W - 0 0 72 -11,-2.6 2,-0.4 398,-0.1 -11,-0.1 -0.573 40.4-121.4 -69.1 127.9 4.6 37.4 52.5 16 19 A P - 0 0 2 0, 0.0 397,-0.3 0, 0.0 4,-0.1 -0.569 18.3-162.9 -78.2 128.6 6.0 34.0 51.5 17 20 A R S S+ 0 0 203 395,-1.7 396,-0.2 -2,-0.4 395,-0.1 0.824 85.0 27.0 -75.8 -33.8 8.2 32.3 54.2 18 21 A V S S- 0 0 31 394,-1.0 222,-0.1 391,-0.1 221,-0.1 -0.813 115.4 -67.8-117.9 163.7 9.6 30.0 51.5 19 22 A P - 0 0 32 0, 0.0 222,-2.8 0, 0.0 2,-0.5 -0.258 46.0-147.8 -55.3 135.9 9.9 30.7 47.8 20 23 A A E -bc 201 241B 1 180,-2.5 182,-2.3 220,-0.2 2,-0.4 -0.948 19.6-176.3-109.4 121.3 6.5 30.9 46.0 21 24 A I E -bc 202 242B 0 220,-3.1 222,-2.6 -2,-0.5 2,-0.4 -0.948 15.7-167.2-122.1 135.5 6.5 29.7 42.4 22 25 A A E -bc 203 243B 0 180,-2.1 182,-2.2 -2,-0.4 2,-0.5 -0.992 10.2-160.4-116.0 133.3 3.8 29.6 39.7 23 26 A V E -bc 204 244B 0 220,-2.8 222,-2.8 -2,-0.4 2,-0.8 -0.959 4.1-155.5-112.0 122.8 4.4 27.6 36.5 24 27 A C E -bc 205 245B 0 180,-3.1 182,-1.3 -2,-0.5 2,-1.2 -0.891 2.8-162.4 -97.5 106.9 2.4 28.4 33.4 25 28 A L > - 0 0 0 220,-2.9 3,-2.0 -2,-0.8 223,-0.3 -0.780 27.5-131.2 -87.0 95.3 2.3 25.3 31.2 26 29 A D T 3 S- 0 0 4 -2,-1.2 185,-0.2 1,-0.3 181,-0.2 -0.217 80.6 -3.1 -55.5 127.8 1.2 27.0 28.0 27 30 A G T 3 S+ 0 0 0 221,-0.3 2,-2.1 1,-0.2 -1,-0.3 0.646 84.2 163.5 67.4 17.7 -1.7 25.3 26.3 28 31 A C < - 0 0 0 -3,-2.0 -1,-0.2 220,-0.2 221,-0.1 -0.457 21.6-164.0 -78.3 78.7 -1.8 22.5 28.9 29 32 A E >> - 0 0 22 -2,-2.1 3,-2.3 1,-0.1 4,-0.6 -0.385 32.5-116.3 -47.6 131.6 -5.3 21.0 28.4 30 33 A P H >> S+ 0 0 14 0, 0.0 4,-1.8 0, 0.0 3,-0.9 0.836 112.1 68.7 -49.4 -35.1 -5.8 18.9 31.6 31 34 A A H 3> S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.744 88.4 65.5 -56.7 -26.9 -5.9 15.7 29.5 32 35 A Y H <> S+ 0 0 0 -3,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.931 106.3 41.2 -60.6 -45.6 -2.1 16.2 28.7 33 36 A L H S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 6,-0.4 0.895 114.4 48.6 -69.9 -39.5 1.4 11.4 31.0 37 40 A I H ><5S+ 0 0 18 -4,-2.8 3,-1.9 4,-0.2 5,-0.3 0.937 110.5 51.3 -60.7 -47.7 0.7 10.5 34.6 38 41 A D H 3<5S+ 0 0 138 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.803 104.7 57.5 -60.8 -30.8 -1.2 7.3 33.5 39 42 A A T 3<5S- 0 0 55 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.419 118.6-112.6 -80.7 0.9 1.7 6.4 31.3 40 43 A G T < 5S+ 0 0 59 -3,-1.9 -3,-0.2 -4,-0.1 -2,-0.1 0.609 85.0 119.3 80.8 15.8 4.0 6.4 34.4 41 44 A L < + 0 0 40 -5,-2.3 -4,-0.2 1,-0.2 188,-0.2 0.500 64.5 51.5 -96.2 -6.8 5.9 9.4 33.1 42 45 A M > + 0 0 1 -6,-0.4 4,-2.7 -5,-0.3 -1,-0.2 -0.465 53.6 155.6-129.9 62.2 5.3 11.9 35.9 43 46 A P H > S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.832 77.7 52.0 -59.7 -31.2 6.0 10.3 39.3 44 47 A A H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.965 112.9 41.6 -70.4 -51.5 6.7 13.7 40.9 45 48 A L H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.883 111.6 57.6 -62.2 -38.1 3.4 15.3 39.8 46 49 A K H X S+ 0 0 108 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.938 113.1 39.0 -57.5 -48.4 1.5 12.1 40.6 47 50 A R H X S+ 0 0 88 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.899 113.8 54.7 -66.6 -43.6 2.8 12.2 44.2 48 51 A I H X S+ 0 0 12 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.913 109.5 48.2 -58.5 -43.9 2.4 16.0 44.4 49 52 A K H < S+ 0 0 52 -4,-3.0 -1,-0.2 1,-0.2 3,-0.2 0.923 111.1 50.4 -59.7 -46.9 -1.3 15.6 43.4 50 53 A E H < S+ 0 0 137 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.864 121.9 32.1 -59.9 -38.8 -1.9 12.9 46.0 51 54 A R H < S+ 0 0 184 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.534 122.6 41.6 -99.7 -9.7 -0.4 14.8 48.8 52 55 A G S < S- 0 0 21 -4,-1.5 2,-0.4 -5,-0.2 338,-0.2 0.247 99.9 -59.8-111.5-132.7 -1.3 18.4 47.8 53 56 A A E -D 386 0B 4 333,-2.4 333,-2.7 336,-0.1 2,-0.5 -0.992 40.7-165.4-130.9 124.2 -4.3 20.2 46.3 54 57 A V E +D 385 0B 64 -2,-0.4 2,-0.3 331,-0.2 331,-0.2 -0.942 22.7 146.3-115.3 123.8 -5.8 19.3 42.9 55 58 A R E -D 384 0B 54 329,-1.9 329,-1.9 -2,-0.5 2,-0.4 -0.911 42.2-124.5-141.8 168.8 -8.3 21.6 41.1 56 59 A L E -D 383 0B 56 -2,-0.3 340,-1.8 327,-0.2 2,-0.3 -0.937 31.9-165.6-110.0 144.8 -9.4 22.8 37.8 57 60 A A E -D 382 0B 0 325,-2.9 325,-2.6 -2,-0.4 2,-0.5 -0.832 17.7-117.4-123.8 165.0 -9.4 26.6 37.2 58 61 A H E -De 381 400B 44 341,-2.3 343,-1.5 -2,-0.3 344,-0.4 -0.922 22.7-148.1-107.1 128.5 -10.9 28.9 34.6 59 62 A S - 0 0 0 321,-2.6 2,-0.2 -2,-0.5 4,-0.1 -0.120 33.0 -87.0 -70.1 175.4 -8.8 31.1 32.4 60 63 A V - 0 0 0 187,-0.3 -1,-0.1 2,-0.2 8,-0.1 -0.595 53.2 -95.0 -75.5 148.6 -9.7 34.5 31.1 61 64 A I S S+ 0 0 2 274,-0.4 2,-0.1 -2,-0.2 315,-0.1 -0.972 114.7 55.2-102.6 126.1 -11.8 34.7 27.9 62 65 A P S S- 0 0 0 0, 0.0 2,-2.4 0, 0.0 314,-0.2 0.363 89.2-145.5 -70.6 141.3 -10.3 35.1 25.3 63 66 A S B +I 375 0C 0 312,-1.4 312,-0.6 -2,-0.1 2,-0.2 -0.432 51.7 138.8 -79.7 65.2 -8.3 32.0 26.2 64 67 A F > - 0 0 0 -2,-2.4 4,-1.4 311,-0.2 5,-0.2 -0.705 62.1-113.7-109.4 160.8 -5.2 33.5 24.6 65 68 A T H > S+ 0 0 29 219,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.946 106.4 40.4 -62.6 -58.6 -1.5 33.5 25.7 66 69 A N H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.923 113.8 50.2 -66.5 -46.0 -0.8 37.1 26.5 67 70 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.902 116.6 43.4 -58.9 -39.1 -4.1 38.1 28.2 68 71 A N H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.905 112.5 50.6 -74.5 -40.5 -3.8 35.1 30.5 69 72 A N H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.913 113.2 46.7 -60.0 -42.7 -0.1 35.5 31.2 70 73 A L H X S+ 0 0 1 -4,-2.7 4,-1.4 2,-0.2 6,-0.3 0.830 110.1 53.6 -72.6 -29.0 -0.7 39.1 32.2 71 74 A S H X>S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.3 5,-1.0 0.933 110.8 46.2 -64.3 -47.3 -3.7 38.1 34.3 72 75 A I H <5S+ 0 0 1 -4,-2.6 333,-0.3 1,-0.2 -2,-0.2 0.913 112.8 51.5 -59.7 -42.1 -1.5 35.6 36.2 73 76 A A H <5S+ 0 0 0 -4,-2.4 37,-3.2 1,-0.2 38,-0.6 0.766 122.2 29.6 -66.3 -29.3 1.2 38.3 36.5 74 77 A T H <5S- 0 0 0 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.528 98.8-126.8-106.9 -12.4 -1.1 40.9 37.9 75 78 A G T <5S+ 0 0 3 -4,-2.0 -3,-0.2 1,-0.2 -4,-0.1 0.726 79.3 96.6 65.8 26.1 -3.7 38.7 39.7 76 79 A S S > - 0 0 17 0, 0.0 3,-2.1 0, 0.0 4,-1.5 -0.297 47.1 -93.7 -77.5 169.0 -8.5 40.2 34.5 78 81 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 259,-0.2 0.724 119.7 72.8 -58.6 -24.5 -7.8 42.3 31.4 79 82 A A H 34 S+ 0 0 50 257,-2.1 258,-0.2 1,-0.2 260,-0.1 0.814 109.8 34.6 -55.8 -29.5 -10.4 44.9 32.4 80 83 A V H <4 S+ 0 0 65 -3,-2.1 -1,-0.2 256,-0.3 257,-0.1 0.900 127.7 32.7 -89.5 -52.0 -7.8 45.9 35.0 81 84 A H H < S- 0 0 0 -4,-1.5 25,-3.0 2,-0.1 26,-0.4 0.705 94.2-133.5 -88.3 -20.3 -4.4 45.3 33.2 82 85 A G < + 0 0 0 -4,-2.5 2,-0.9 -5,-0.2 -3,-0.1 0.329 65.1 120.3 92.8 -6.0 -5.5 46.2 29.7 83 86 A I + 0 0 0 1,-0.2 -1,-0.2 -16,-0.1 -12,-0.1 -0.791 19.3 145.5 -98.2 99.7 -4.0 43.3 27.7 84 87 A C - 0 0 8 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.377 67.5 -8.4-117.0 1.6 -6.9 41.5 26.0 85 88 A G S S- 0 0 3 14,-0.1 -1,-0.2 1,-0.1 199,-0.1 -0.961 76.0 -89.2-175.9-178.7 -5.2 40.4 22.8 86 89 A N S S- 0 0 18 197,-1.9 13,-2.3 -2,-0.3 14,-0.4 0.736 105.1 -4.3 -80.3 -23.6 -2.1 40.7 20.6 87 90 A Y E -J 98 0D 18 11,-0.3 2,-0.3 12,-0.2 -1,-0.2 -0.981 59.5-151.9-159.6 160.8 -3.5 43.8 18.8 88 91 A L E -J 97 0D 18 9,-2.1 9,-1.5 -2,-0.3 2,-0.4 -0.794 21.3-118.8-125.7 175.4 -6.5 46.0 18.5 89 92 A Y E -J 96 0D 37 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.962 13.1-148.2-117.2 136.4 -8.0 48.2 15.7 90 93 A E E >> -J 95 0D 84 5,-2.3 4,-1.5 -2,-0.4 5,-0.6 -0.924 3.3-155.7-103.1 111.6 -8.4 52.0 15.9 91 94 A P T 45S+ 0 0 91 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.865 86.9 64.6 -51.9 -41.7 -11.5 53.1 13.8 92 95 A S T >45S+ 0 0 87 1,-0.2 3,-0.6 -3,-0.1 2,-0.2 -0.717 117.9 11.9 -79.8 137.4 -9.8 56.5 13.6 93 96 A T T 345S- 0 0 114 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 -0.166 100.5-120.6 84.2 -37.1 -6.5 56.2 11.6 94 97 A G T 3<5 + 0 0 26 -4,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.785 64.3 148.3 71.1 29.7 -7.5 52.7 10.5 95 98 A E E < < -J 90 0D 114 -5,-0.6 -5,-2.3 -3,-0.6 2,-0.7 -0.761 49.1-138.3-104.6 140.0 -4.4 51.4 12.1 96 99 A E E -J 89 0D 57 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.874 27.1-162.8 -93.2 116.8 -3.8 48.0 13.8 97 100 A V E -J 88 0D 39 -9,-1.5 -9,-2.1 -2,-0.7 2,-0.1 -0.885 15.9-121.9-110.3 130.9 -1.8 48.7 17.0 98 101 A M E -J 87 0D 58 -2,-0.5 -11,-0.3 -11,-0.2 3,-0.1 -0.350 14.1-165.3 -66.8 146.5 0.2 46.0 18.9 99 102 A M + 0 0 3 -13,-2.3 -12,-0.2 1,-0.1 -14,-0.1 0.013 69.2 90.9-119.4 18.7 -0.7 45.4 22.6 100 103 A N + 0 0 11 -14,-0.4 33,-0.2 -17,-0.0 -1,-0.1 -0.094 62.5 98.1-108.6 31.6 2.5 43.4 23.4 101 104 A D S > S- 0 0 55 -3,-0.1 3,-2.3 31,-0.1 4,-0.3 -0.960 80.0-124.9-115.5 136.8 4.5 46.4 24.5 102 105 A P G > S+ 0 0 32 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.716 104.9 73.4 -57.2 -23.3 4.8 47.2 28.3 103 106 A K G 3 S+ 0 0 152 1,-0.3 -4,-0.0 3,-0.0 -3,-0.0 0.749 93.5 56.6 -60.8 -21.7 3.6 50.8 27.7 104 107 A F G < S+ 0 0 36 -3,-2.3 2,-0.4 2,-0.0 -1,-0.3 0.584 80.2 104.2 -85.9 -13.4 0.1 49.2 27.2 105 108 A L < - 0 0 9 -3,-1.4 -23,-0.2 -4,-0.3 -24,-0.1 -0.610 49.5-173.9 -72.7 125.7 0.1 47.5 30.6 106 109 A R + 0 0 114 -25,-3.0 -24,-0.2 -2,-0.4 -1,-0.1 0.341 59.2 50.3-108.5 0.5 -2.3 49.5 32.8 107 110 A A S S- 0 0 10 -26,-0.4 -31,-0.0 -31,-0.0 -26,-0.0 -0.987 86.2-101.6-139.6 149.0 -1.8 47.8 36.2 108 111 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 29,-0.1 -0.352 36.8-121.0 -67.3 148.8 1.2 46.8 38.3 109 112 A T > - 0 0 2 27,-0.4 4,-2.1 1,-0.1 -35,-0.3 -0.513 18.3-118.4 -80.4 157.5 2.4 43.2 38.3 110 113 A I H > S+ 0 0 1 -37,-3.2 4,-2.6 2,-0.2 5,-0.2 0.846 117.2 60.6 -55.8 -35.6 2.7 41.1 41.5 111 114 A F H > S+ 0 0 0 -38,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.931 106.1 42.7 -61.8 -49.0 6.4 41.0 40.6 112 115 A Q H > S+ 0 0 52 24,-0.2 4,-3.1 2,-0.2 5,-0.2 0.905 112.5 53.9 -64.0 -42.0 6.8 44.8 40.8 113 116 A A H X S+ 0 0 19 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.933 113.6 41.3 -61.8 -46.0 4.8 45.1 44.0 114 117 A F H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 3,-0.4 0.908 114.2 53.1 -67.2 -40.2 6.9 42.5 45.8 115 118 A Y H ><5S+ 0 0 7 -4,-2.5 3,-1.8 -5,-0.2 -2,-0.2 0.932 107.9 50.3 -57.6 -47.0 10.1 43.9 44.3 116 119 A D H 3<5S+ 0 0 92 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.752 107.0 56.2 -65.0 -23.6 9.2 47.4 45.6 117 120 A A T 3<5S- 0 0 55 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.353 130.3 -92.7 -89.9 2.6 8.5 45.9 49.0 118 121 A G T < 5S+ 0 0 42 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.489 77.7 141.9 104.1 6.3 12.0 44.5 49.2 119 122 A A < - 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