==== 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/HYDROLASE INHIBITOR 19-JUL-11 3T01 . 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) . 16609.0 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 . 32 7.7 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 . 41 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 3 2 0 1 2 4 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 0 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 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 0.000 360.0 360.0 360.0 130.3 2.7 40.7 65.5 2 5 A S - 0 0 101 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.476 360.0-107.4 -72.3 148.2 0.7 41.7 62.3 3 6 A K - 0 0 202 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.464 31.2-120.3 -74.5 149.2 1.2 39.5 59.2 4 7 A I + 0 0 109 -2,-0.1 11,-2.6 11,-0.1 2,-0.3 -0.775 41.0 161.8 -95.0 135.1 3.2 41.0 56.3 5 8 A S E -A 14 0A 39 -2,-0.4 2,-0.4 9,-0.3 7,-0.1 -0.951 33.7-137.5-145.8 164.7 1.5 41.3 52.9 6 9 A V E -A 13 0A 13 7,-2.5 7,-2.9 -2,-0.3 2,-0.5 -0.999 21.0-146.0-124.9 125.2 1.8 43.1 49.6 7 10 A T E +A 12 0A 87 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.839 22.1 173.9 -99.4 126.5 -1.4 44.5 48.1 8 11 A V E > -A 11 0A 3 3,-2.5 3,-1.8 -2,-0.5 102,-0.1 -0.995 66.3 -16.3-135.7 121.9 -1.6 44.4 44.3 9 12 A N T 3 S- 0 0 51 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.886 129.3 -50.1 49.3 43.6 -4.7 45.3 42.1 10 13 A G T 3 S+ 0 0 77 1,-0.2 2,-0.4 66,-0.0 -1,-0.3 0.571 116.0 111.6 74.5 12.0 -6.9 45.1 45.2 11 14 A R E < -A 8 0A 55 -3,-1.8 -3,-2.5 2,-0.0 2,-0.7 -0.951 62.8-132.6-119.6 141.3 -5.7 41.7 46.3 12 15 A R E -A 7 0A 163 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.808 18.2-165.8 -97.6 114.0 -3.7 41.0 49.5 13 16 A Y E -A 6 0A 0 -7,-2.9 -7,-2.5 -2,-0.7 393,-0.1 -0.860 16.4-136.1-100.4 113.4 -0.7 38.7 49.0 14 17 A P E -A 5 0A 33 0, 0.0 -9,-0.3 0, 0.0 398,-0.1 -0.345 33.3 -99.4 -61.5 146.1 0.9 37.3 52.2 15 18 A W - 0 0 73 -11,-2.6 2,-0.4 398,-0.1 -11,-0.1 -0.534 40.8-121.0 -66.1 127.8 4.6 37.4 52.3 16 19 A P - 0 0 2 0, 0.0 397,-0.2 0, 0.0 4,-0.1 -0.575 17.6-162.2 -76.9 128.4 6.0 34.0 51.3 17 20 A R S S+ 0 0 208 395,-1.7 396,-0.2 -2,-0.4 395,-0.1 0.803 85.6 27.9 -76.5 -31.3 8.2 32.3 54.0 18 21 A V S S- 0 0 31 394,-0.9 222,-0.1 391,-0.1 221,-0.1 -0.823 115.7 -69.0-118.4 163.4 9.6 29.9 51.3 19 22 A P - 0 0 32 0, 0.0 222,-2.9 0, 0.0 2,-0.5 -0.251 45.6-147.0 -56.4 139.1 9.9 30.7 47.6 20 23 A A E -bc 201 241B 1 180,-2.6 182,-2.3 220,-0.2 2,-0.4 -0.948 20.1-177.6-112.0 121.1 6.5 30.9 45.8 21 24 A I E -bc 202 242B 0 220,-3.0 222,-2.5 -2,-0.5 2,-0.4 -0.950 15.9-166.7-122.4 135.6 6.5 29.7 42.2 22 25 A A E -bc 203 243B 0 180,-2.1 182,-2.2 -2,-0.4 2,-0.5 -0.993 10.0-159.9-116.0 132.1 3.8 29.6 39.5 23 26 A V E -bc 204 244B 0 220,-2.9 222,-2.8 -2,-0.4 2,-0.8 -0.951 3.1-156.9-109.2 121.9 4.5 27.6 36.4 24 27 A C E -bc 205 245B 0 180,-3.2 182,-1.6 -2,-0.5 2,-1.2 -0.893 2.6-161.3 -98.9 105.3 2.4 28.4 33.3 25 28 A L > - 0 0 1 220,-2.9 3,-2.1 -2,-0.8 223,-0.3 -0.771 26.9-130.8 -83.5 95.0 2.3 25.3 31.1 26 29 A D T 3 S- 0 0 5 -2,-1.2 185,-0.2 1,-0.3 181,-0.1 -0.260 82.0 -2.5 -54.3 125.3 1.3 27.1 27.8 27 30 A G T 3 S+ 0 0 0 221,-0.3 2,-2.1 1,-0.2 -1,-0.3 0.657 83.2 163.7 68.4 19.1 -1.6 25.3 26.2 28 31 A C < - 0 0 0 -3,-2.1 -1,-0.2 220,-0.2 221,-0.1 -0.474 20.9-164.6 -78.0 78.9 -1.8 22.5 28.7 29 32 A E >> - 0 0 22 -2,-2.1 3,-2.1 1,-0.1 4,-0.6 -0.404 32.9-116.5 -47.0 132.4 -5.2 21.0 28.2 30 33 A P H >> S+ 0 0 13 0, 0.0 4,-1.9 0, 0.0 3,-0.9 0.842 111.8 69.7 -51.1 -36.2 -5.7 18.9 31.3 31 34 A A H 3> S+ 0 0 41 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.765 88.4 64.2 -52.1 -31.4 -5.8 15.7 29.2 32 35 A Y H <> S+ 0 0 0 -3,-2.1 4,-2.1 2,-0.2 -1,-0.3 0.930 106.9 41.4 -59.7 -46.8 -2.0 16.1 28.5 33 36 A L H S+ 0 0 0 -4,-2.1 5,-2.2 -5,-0.2 6,-0.4 0.888 114.2 48.6 -66.4 -40.1 1.4 11.4 30.8 37 40 A I H ><5S+ 0 0 16 -4,-2.8 3,-2.0 4,-0.2 5,-0.2 0.936 110.1 51.3 -62.2 -46.9 0.7 10.4 34.4 38 41 A D H 3<5S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.809 104.8 57.8 -60.9 -30.7 -1.2 7.3 33.2 39 42 A A T 3<5S- 0 0 54 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.417 118.4-113.6 -80.8 0.1 1.8 6.3 31.1 40 43 A G T < 5S+ 0 0 57 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.613 84.2 119.7 80.3 17.1 4.0 6.4 34.2 41 44 A L < + 0 0 39 -5,-2.2 -4,-0.2 1,-0.2 3,-0.1 0.526 64.4 52.0 -95.1 -9.4 6.0 9.4 33.0 42 45 A M > + 0 0 1 -6,-0.4 4,-2.7 -5,-0.2 -1,-0.2 -0.456 53.8 155.2-127.6 61.7 5.3 11.9 35.8 43 46 A P H > S+ 0 0 80 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.822 77.3 51.3 -60.9 -30.4 6.0 10.3 39.1 44 47 A A H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.965 112.8 42.7 -70.8 -52.1 6.7 13.6 40.8 45 48 A L H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.888 111.5 57.2 -60.1 -39.3 3.4 15.3 39.7 46 49 A K H X S+ 0 0 109 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.940 112.9 39.5 -55.9 -49.2 1.6 12.0 40.5 47 50 A R H X S+ 0 0 90 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.901 113.7 54.7 -66.1 -42.7 2.8 12.2 44.1 48 51 A I H X S+ 0 0 11 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.909 109.6 47.8 -59.4 -43.6 2.4 16.0 44.3 49 52 A K H < S+ 0 0 52 -4,-3.0 3,-0.2 1,-0.2 -1,-0.2 0.936 111.3 50.5 -60.6 -48.4 -1.3 15.6 43.2 50 53 A E H < S+ 0 0 136 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.869 122.0 32.0 -57.3 -39.5 -1.9 12.8 45.8 51 54 A R H < S+ 0 0 181 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.544 122.8 40.2 -99.8 -11.5 -0.4 14.8 48.7 52 55 A G S < S- 0 0 21 -4,-1.6 2,-0.4 -3,-0.2 338,-0.2 0.244 100.9 -56.9-111.0-132.9 -1.3 18.4 47.7 53 56 A A E -D 386 0B 3 333,-2.5 333,-2.7 336,-0.1 2,-0.5 -0.988 41.1-165.2-127.1 124.4 -4.3 20.2 46.1 54 57 A V E +D 385 0B 64 -2,-0.4 2,-0.3 331,-0.2 331,-0.2 -0.939 23.9 144.7-113.2 122.6 -5.8 19.2 42.8 55 58 A R E -D 384 0B 53 329,-1.9 329,-2.0 -2,-0.5 2,-0.4 -0.907 42.7-125.5-141.9 168.6 -8.2 21.5 40.9 56 59 A L E -D 383 0B 55 -2,-0.3 340,-2.0 327,-0.2 2,-0.3 -0.937 31.3-165.6-110.9 146.2 -9.3 22.8 37.6 57 60 A A E -D 382 0B 0 325,-2.9 325,-2.5 -2,-0.4 2,-0.5 -0.837 18.0-116.0-124.4 164.9 -9.3 26.5 37.0 58 61 A H E -De 381 400B 43 341,-2.4 343,-1.6 -2,-0.3 344,-0.4 -0.917 23.2-148.1-106.8 128.6 -10.8 28.9 34.4 59 62 A S - 0 0 0 321,-2.6 2,-0.3 -2,-0.5 4,-0.1 -0.115 32.3 -87.7 -70.0 176.1 -8.7 31.0 32.1 60 63 A V - 0 0 0 187,-0.4 -1,-0.1 2,-0.2 4,-0.1 -0.624 52.9 -95.6 -78.4 146.8 -9.6 34.4 30.8 61 64 A I S S+ 0 0 2 274,-0.4 2,-0.1 -2,-0.3 315,-0.1 -0.967 114.8 55.7-101.8 127.3 -11.7 34.6 27.6 62 65 A P S S- 0 0 0 0, 0.0 2,-2.3 0, 0.0 314,-0.2 0.345 89.6-146.6 -70.6 140.2 -10.2 35.0 25.0 63 66 A S B +I 375 0C 0 312,-1.5 312,-0.6 -2,-0.1 2,-0.2 -0.404 52.9 131.5 -79.9 63.3 -8.2 31.9 26.0 64 67 A F > - 0 0 1 -2,-2.3 4,-1.5 311,-0.2 5,-0.2 -0.712 66.5-109.3-114.4 165.9 -5.1 33.2 24.3 65 68 A T H > S+ 0 0 26 -2,-0.2 4,-2.8 219,-0.2 5,-0.2 0.917 106.8 44.9 -64.9 -53.3 -1.5 33.5 25.6 66 69 A N H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.947 113.9 46.2 -64.3 -50.5 -0.9 37.2 26.1 67 70 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.901 117.9 44.8 -60.6 -37.3 -4.1 38.1 27.9 68 71 A N H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.912 111.3 50.6 -75.3 -40.1 -3.8 35.0 30.2 69 72 A N H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.916 113.3 46.6 -60.1 -42.3 -0.1 35.4 31.0 70 73 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 6,-0.3 0.810 109.9 54.2 -73.5 -27.4 -0.6 39.1 31.9 71 74 A S H X>S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.3 5,-1.0 0.934 110.7 45.8 -64.5 -48.1 -3.7 38.1 34.0 72 75 A I H <5S+ 0 0 1 -4,-2.6 333,-0.3 1,-0.2 -2,-0.2 0.919 112.9 51.5 -59.0 -42.5 -1.5 35.6 35.9 73 76 A A H <5S+ 0 0 0 -4,-2.4 37,-3.2 1,-0.2 38,-0.5 0.784 122.3 29.6 -65.2 -30.1 1.2 38.2 36.3 74 77 A T H <5S- 0 0 0 -4,-1.4 -1,-0.2 2,-0.3 -2,-0.2 0.527 98.3-127.7-106.9 -12.3 -1.2 40.9 37.7 75 78 A G T <5S+ 0 0 3 -4,-2.0 -3,-0.2 1,-0.2 -4,-0.1 0.724 79.2 95.4 65.2 25.7 -3.7 38.7 39.4 76 79 A S S > - 0 0 18 0, 0.0 3,-2.2 0, 0.0 4,-1.7 -0.327 45.8 -94.7 -80.8 169.2 -8.5 40.2 34.3 78 81 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 259,-0.2 0.740 119.7 71.9 -59.5 -23.4 -7.8 42.3 31.1 79 82 A A H 34 S+ 0 0 47 257,-2.2 258,-0.2 1,-0.2 260,-0.1 0.813 110.6 34.1 -57.8 -27.9 -10.4 44.8 32.1 80 83 A V H <4 S+ 0 0 67 -3,-2.2 -1,-0.2 256,-0.3 257,-0.1 0.899 128.1 32.6 -90.2 -52.7 -7.8 45.8 34.8 81 84 A H H < S- 0 0 0 -4,-1.7 25,-2.9 2,-0.1 26,-0.4 0.699 93.3-134.4 -88.1 -19.5 -4.5 45.3 33.1 82 85 A G < + 0 0 0 -4,-2.6 2,-1.2 -5,-0.2 3,-0.1 0.279 65.2 120.9 91.9 -10.6 -5.5 46.1 29.5 83 86 A I + 0 0 0 1,-0.2 -1,-0.2 -16,-0.1 -13,-0.1 -0.726 20.7 144.8 -91.5 94.0 -3.8 43.3 27.6 84 87 A C - 0 0 5 -2,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.376 67.6 -5.3-112.2 1.2 -6.8 41.6 25.9 85 88 A G S S- 0 0 3 -3,-0.1 -1,-0.2 14,-0.1 199,-0.1 -0.963 78.2 -88.4-174.2-178.8 -5.1 40.6 22.6 86 89 A N S S+ 0 0 9 197,-1.5 13,-2.8 -2,-0.3 2,-0.3 0.728 106.0 8.8 -80.1 -23.1 -1.9 40.7 20.6 87 90 A Y E -J 98 0D 19 11,-0.3 2,-0.3 198,-0.1 11,-0.2 -0.987 66.0-135.4-152.4 156.2 -2.9 44.0 18.9 88 91 A L E -J 97 0D 24 9,-2.3 9,-2.2 -2,-0.3 2,-0.4 -0.872 16.2-138.5-114.6 154.1 -5.5 46.7 19.0 89 92 A Y E -J 96 0D 31 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.916 3.3-152.8-113.4 133.9 -7.3 48.4 16.1 90 93 A E E >> -J 95 0D 92 5,-2.6 4,-1.5 -2,-0.4 5,-0.7 -0.932 5.6-155.1-106.5 111.2 -8.0 52.1 15.7 91 94 A P T 45S+ 0 0 87 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.858 85.0 67.7 -51.2 -43.5 -11.2 52.7 13.6 92 95 A S T >45S+ 0 0 87 1,-0.2 3,-0.6 -3,-0.1 -2,-0.0 -0.701 118.9 7.8 -77.5 131.6 -9.8 56.2 12.7 93 96 A T T 345S- 0 0 118 -2,-0.4 -1,-0.2 1,-0.2 0, 0.0 -0.124 102.0-116.3 84.8 -33.6 -6.7 55.8 10.5 94 97 A G T 3<5 + 0 0 24 -4,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.749 60.5 161.6 73.8 26.1 -7.4 52.0 10.3 95 98 A E E < < -J 90 0D 114 -5,-0.7 -5,-2.6 -3,-0.6 2,-0.6 -0.584 34.4-153.7 -86.7 137.5 -4.2 51.3 12.1 96 99 A E E -J 89 0D 49 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.952 17.3-166.7-107.5 112.4 -3.3 48.0 13.8 97 100 A V E -J 88 0D 51 -9,-2.2 -9,-2.3 -2,-0.6 -2,-0.0 -0.867 21.4-116.8-106.0 131.9 -0.8 48.6 16.6 98 101 A M E -J 87 0D 43 -2,-0.4 3,-0.3 -11,-0.2 -11,-0.3 -0.308 12.5-147.8 -64.2 145.1 1.1 45.8 18.3 99 102 A M + 0 0 2 -13,-2.8 -12,-0.1 1,-0.2 -1,-0.1 -0.337 69.5 100.7-110.4 47.6 0.5 45.3 22.0 100 103 A N + 0 0 55 32,-0.0 33,-0.2 33,-0.0 -1,-0.2 0.641 53.4 95.1-104.4 -18.9 4.0 44.0 23.0 101 104 A D S > S- 0 0 73 -3,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.544 78.8-129.4 -71.5 135.8 5.4 47.2 24.5 102 105 A P G > S+ 0 0 31 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.665 100.6 81.1 -59.6 -15.4 5.0 47.3 28.3 103 106 A K G 3 S+ 0 0 148 1,-0.3 -4,-0.0 3,-0.0 -2,-0.0 0.754 84.6 61.3 -61.9 -22.5 3.5 50.8 27.9 104 107 A F G < S+ 0 0 28 -3,-1.9 2,-0.4 2,-0.0 -1,-0.3 0.631 81.0 97.5 -78.4 -16.2 0.2 49.0 27.0 105 108 A L < - 0 0 5 -3,-1.5 -23,-0.2 -4,-0.2 -24,-0.1 -0.654 52.3-174.7 -76.6 127.0 0.0 47.4 30.5 106 109 A R + 0 0 108 -25,-2.9 -24,-0.2 -2,-0.4 -1,-0.1 0.263 61.3 51.8-111.3 5.3 -2.3 49.5 32.7 107 110 A A S S- 0 0 10 -26,-0.4 2,-0.1 -31,-0.0 -31,-0.0 -0.983 86.9-103.4-139.2 150.4 -1.9 47.7 36.0 108 111 A P - 0 0 59 0, 0.0 2,-0.2 0, 0.0 29,-0.1 -0.384 35.4-119.1 -70.9 151.0 1.2 46.7 38.1 109 112 A T > - 0 0 1 27,-0.4 4,-2.1 1,-0.1 -35,-0.3 -0.519 18.4-118.9 -81.2 157.5 2.4 43.2 38.1 110 113 A I H > S+ 0 0 1 -37,-3.2 4,-2.6 1,-0.2 5,-0.2 0.851 117.0 60.6 -56.5 -35.2 2.6 41.1 41.3 111 114 A F H > S+ 0 0 0 -38,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.929 105.6 43.2 -62.7 -48.5 6.4 41.0 40.4 112 115 A Q H > S+ 0 0 52 24,-0.3 4,-3.1 2,-0.2 5,-0.2 0.906 112.4 54.5 -62.7 -42.2 6.8 44.7 40.6 113 116 A A H X S+ 0 0 19 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.932 113.1 41.0 -60.3 -46.6 4.7 45.0 43.8 114 117 A F H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 3,-0.3 0.901 114.3 53.6 -67.5 -39.7 6.9 42.4 45.6 115 118 A Y H ><5S+ 0 0 4 -4,-2.5 3,-1.9 -5,-0.2 -2,-0.2 0.935 107.7 49.6 -58.5 -48.3 10.1 43.9 44.2 116 119 A D H 3<5S+ 0 0 93 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.755 107.2 56.9 -63.5 -24.2 9.1 47.4 45.4 117 120 A A T 3<5S- 0 0 55 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.363 129.9 -94.7 -87.8 2.4 8.5 45.8 48.9 118 121 A G T < 5S+ 0 0 39 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.493 76.9 141.9 100.7 8.3 12.0 44.4 49.0 119 122 A A < - 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