==== 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 02-APR-09 3GXG . COMPND 2 MOLECULE: PUTATIVE PHOSPHATASE (DUF442); . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA PUTREFACIENS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 628 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.1 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 29 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 4 0 1 4 0 3 0 1 7 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 12 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 0 PARALLEL BRIDGES PER LADDER . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 A G 0 0 88 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 157.5 33.1 9.0 18.2 2 23 A N - 0 0 84 1,-0.2 177,-0.2 255,-0.1 255,-0.1 -0.475 360.0 -55.2 -79.4 179.6 29.5 8.4 17.2 3 24 A I - 0 0 21 175,-2.7 2,-0.4 -2,-0.2 195,-0.2 -0.409 65.3-150.3 -61.5 135.1 26.6 10.9 17.5 4 25 A E - 0 0 90 193,-2.7 4,-0.1 1,-0.2 195,-0.1 -0.928 55.9 -10.4-121.6 136.9 26.5 12.0 21.2 5 26 A S > - 0 0 60 -2,-0.4 3,-2.5 1,-0.1 4,-0.2 0.880 61.3-174.8 49.0 60.4 23.6 13.2 23.4 6 27 A I G > S+ 0 0 33 1,-0.3 3,-2.4 -3,-0.2 4,-0.2 0.723 73.3 78.9 -59.4 -23.7 21.1 13.6 20.6 7 28 A E G > S+ 0 0 110 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.814 80.9 67.5 -54.5 -28.2 18.6 15.0 23.1 8 29 A N G < S+ 0 0 74 -3,-2.5 3,-0.3 1,-0.3 -1,-0.3 0.663 99.8 51.0 -67.2 -13.8 20.6 18.3 22.7 9 30 A L G < S+ 0 0 1 -3,-2.4 161,-2.6 -4,-0.2 -1,-0.3 0.340 97.2 72.3 -97.6 2.5 19.2 18.4 19.2 10 31 A Q S < S- 0 0 102 -3,-1.9 159,-0.2 1,-0.3 -1,-0.2 0.182 96.2-121.8-115.2 19.3 15.6 17.9 20.4 11 32 A G S S+ 0 0 14 -3,-0.3 -1,-0.3 157,-0.1 157,-0.3 -0.392 70.1 15.3 85.0-154.2 14.7 21.2 21.9 12 33 A I S > S- 0 0 7 155,-2.4 3,-1.6 1,-0.1 15,-0.1 -0.342 87.5-103.5 -66.3 129.5 13.6 22.0 25.5 13 34 A R T 3 S- 0 0 125 14,-0.5 13,-3.0 1,-0.3 -1,-0.1 -0.223 95.0 -9.5 -54.7 127.2 14.3 19.2 27.9 14 35 A A T 3 S+ 0 0 44 11,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.743 86.7 178.7 55.9 31.3 11.1 17.2 28.8 15 36 A L < + 0 0 32 -3,-1.6 2,-0.3 10,-0.2 10,-0.3 -0.421 6.7 168.1 -67.5 132.3 8.8 19.7 27.1 16 37 A Q E -A 24 0A 44 8,-3.3 8,-1.9 -2,-0.2 2,-0.2 -0.890 29.4-137.0-148.2 117.2 5.1 18.8 27.2 17 38 A Q E +A 23 0A 75 -2,-0.3 6,-0.2 6,-0.2 84,-0.0 -0.507 20.4 180.0 -68.8 137.3 2.2 21.1 26.3 18 39 A Q E - 0 0 26 4,-2.9 5,-0.2 1,-0.4 -1,-0.1 0.628 63.8 -8.6-112.2 -21.5 -0.6 20.8 28.8 19 40 A A E > S-A 22 0A 25 3,-1.7 3,-1.6 1,-0.0 -1,-0.4 -0.948 83.1 -84.5-165.2 170.1 -3.2 23.3 27.5 20 41 A P T 3 S+ 0 0 78 0, 0.0 141,-2.4 0, 0.0 -1,-0.0 0.849 131.7 27.1 -57.5 -31.3 -3.4 25.9 24.8 21 42 A Q T 3 S+ 0 0 59 139,-0.2 79,-2.8 78,-0.1 2,-0.4 0.152 112.6 79.1-113.9 17.1 -1.8 28.5 27.2 22 43 A L E < +Ab 19 100A 6 -3,-1.6 -4,-2.9 77,-0.2 -3,-1.7 -0.960 48.2 178.3-136.1 118.4 0.2 26.1 29.4 23 44 A L E -Ab 17 101A 0 77,-3.0 79,-2.5 -2,-0.4 2,-0.3 -0.871 8.1-164.7-106.8 146.8 3.5 24.5 28.8 24 45 A S E +Ab 16 102A 0 -8,-1.9 -8,-3.3 -2,-0.4 2,-0.3 -0.970 24.8 143.6-122.5 147.6 5.4 22.2 31.3 25 46 A S E - b 0 103A 0 77,-1.6 79,-1.5 -2,-0.3 82,-0.5 -0.977 45.1 -98.9-162.5 170.9 9.1 21.3 30.9 26 47 A G S S- 0 0 0 -13,-3.0 80,-0.3 -2,-0.3 79,-0.3 -0.019 78.0 -36.8 -77.6-161.6 12.4 20.6 32.3 27 48 A L - 0 0 27 78,-2.0 -14,-0.5 76,-0.1 2,-0.2 -0.501 56.0-149.0 -75.8 112.2 15.1 23.2 32.4 28 49 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.534 15.2-134.8 -71.8 142.6 15.4 25.6 29.5 29 50 A N > - 0 0 73 -2,-0.2 4,-1.1 1,-0.0 3,-0.2 -0.392 36.1 -88.7 -82.0 176.5 18.9 26.8 28.6 30 51 A E H >> S+ 0 0 64 1,-0.2 4,-1.0 2,-0.2 3,-0.9 0.917 126.9 49.7 -56.0 -48.2 19.5 30.5 27.9 31 52 A Q H >> S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.903 105.7 59.0 -58.6 -37.4 18.8 30.3 24.2 32 53 A Q H 3> S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.757 93.8 63.6 -68.6 -22.9 15.6 28.5 24.8 33 54 A F H S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 4,-0.3 0.933 107.7 49.5 -59.2 -48.2 9.9 30.5 24.5 37 58 A K H ><5S+ 0 0 88 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.931 110.0 51.7 -55.0 -45.2 9.2 34.3 24.2 38 59 A Q H 3<5S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.792 104.4 57.0 -64.9 -26.7 9.0 33.8 20.4 39 60 A A T 3<5S- 0 0 3 -4,-1.7 123,-2.9 -3,-0.3 -1,-0.3 0.470 128.0 -97.7 -82.9 -2.1 6.4 31.0 20.9 40 61 A G T < 5 + 0 0 24 -3,-1.7 59,-0.4 -4,-0.3 -3,-0.2 0.447 67.8 156.0 104.2 3.7 4.2 33.4 22.9 41 62 A V < + 0 0 0 -5,-2.3 -1,-0.3 -6,-0.2 59,-0.2 -0.460 14.3 176.7 -68.3 129.5 5.2 32.5 26.5 42 63 A D + 0 0 52 57,-2.8 27,-2.7 1,-0.3 2,-0.4 0.703 62.9 33.5 -99.9 -31.4 4.4 35.5 28.8 43 64 A V E -cd 69 100A 0 56,-2.0 58,-2.4 25,-0.2 2,-0.5 -0.994 58.8-157.4-137.4 133.3 5.4 34.0 32.2 44 65 A V E -cd 70 101A 0 25,-3.1 27,-2.7 -2,-0.4 2,-0.6 -0.970 8.7-166.7-113.0 121.6 8.0 31.5 33.4 45 66 A I E -cd 71 102A 0 56,-3.3 58,-2.6 -2,-0.5 2,-0.6 -0.946 8.7-160.8-109.6 115.6 7.2 29.8 36.7 46 67 A N E +cd 72 103A 0 25,-2.8 27,-2.7 -2,-0.6 58,-0.2 -0.876 19.3 175.1-105.6 116.4 10.3 28.0 38.0 47 68 A L + 0 0 0 56,-2.9 28,-2.9 -2,-0.6 57,-0.2 0.406 52.8 100.1 -95.2 -2.3 9.9 25.2 40.7 48 69 A X S S- 0 0 2 55,-0.4 28,-0.1 26,-0.2 -2,-0.0 -0.779 78.8-117.3 -91.7 121.7 13.5 24.2 40.8 49 70 A P > - 0 0 19 0, 0.0 3,-2.1 0, 0.0 6,-0.2 -0.251 13.9-128.1 -60.9 140.4 15.4 25.6 43.8 50 71 A D T 3 S+ 0 0 75 1,-0.3 5,-0.1 5,-0.1 -2,-0.0 0.751 107.3 66.1 -57.9 -22.9 18.3 27.9 42.9 51 72 A S T 3 S+ 0 0 112 3,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.604 75.9 111.9 -74.4 -13.7 20.5 25.7 45.2 52 73 A S S X S- 0 0 36 -3,-2.1 3,-1.3 1,-0.1 -4,-0.0 -0.333 78.2-124.4 -62.0 144.9 20.2 22.7 42.9 53 74 A K T 3 S+ 0 0 199 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.795 111.0 50.5 -62.7 -26.8 23.4 21.8 41.1 54 75 A D T 3 S+ 0 0 74 2,-0.0 -1,-0.3 0, 0.0 -4,-0.1 0.567 86.4 117.2 -85.7 -10.6 21.6 22.2 37.7 55 76 A A < - 0 0 19 -3,-1.3 -5,-0.1 -6,-0.2 50,-0.0 -0.185 69.6-114.5 -63.3 146.2 20.2 25.6 38.4 56 77 A H > - 0 0 35 1,-0.1 3,-0.5 -27,-0.0 -1,-0.1 -0.509 26.6-121.0 -65.8 147.4 21.1 28.7 36.4 57 78 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.851 103.4 6.4 -60.6 -34.1 22.9 31.3 38.5 58 79 A D T 3> + 0 0 84 1,-0.1 4,-1.6 2,-0.0 3,-0.4 -0.514 67.2 165.6-152.2 76.8 20.2 33.9 37.8 59 80 A E H <> S+ 0 0 2 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.867 77.3 62.8 -62.4 -35.5 17.3 32.5 35.9 60 81 A G H > S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.895 103.5 48.9 -57.6 -41.5 15.1 35.5 36.7 61 82 A K H > S+ 0 0 72 -3,-0.4 4,-3.0 2,-0.2 5,-0.2 0.931 111.0 50.1 -62.5 -44.6 17.5 37.7 34.8 62 83 A L H X S+ 0 0 25 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.929 115.3 43.9 -59.6 -44.3 17.5 35.3 31.8 63 84 A V H <>S+ 0 0 0 -4,-2.8 5,-2.2 2,-0.2 -2,-0.2 0.916 116.3 44.0 -67.7 -47.7 13.7 35.3 31.8 64 85 A T H ><5S+ 0 0 79 -4,-2.9 3,-1.8 -5,-0.2 -2,-0.2 0.928 111.9 53.8 -69.3 -38.9 13.2 39.0 32.2 65 86 A Q H 3<5S+ 0 0 124 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.800 104.8 56.5 -60.5 -29.2 15.9 39.8 29.6 66 87 A A T 3<5S- 0 0 19 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.417 127.1-101.7 -83.0 -0.7 14.0 37.6 27.2 67 88 A G T < 5S+ 0 0 42 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.693 82.5 114.1 91.9 21.6 10.9 39.7 27.7 68 89 A X < - 0 0 5 -5,-2.2 -1,-0.3 -25,-0.0 2,-0.3 -0.821 66.3-106.9-123.3 161.4 8.9 37.6 30.1 69 90 A D E -c 43 0A 95 -27,-2.7 -25,-3.1 -2,-0.3 2,-0.4 -0.634 33.0-145.7 -83.4 144.8 7.7 37.7 33.7 70 91 A Y E -c 44 0A 58 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.939 16.5-177.8-118.4 132.2 9.4 35.4 36.2 71 92 A V E -c 45 0A 28 -27,-2.7 -25,-2.8 -2,-0.4 2,-0.5 -0.998 10.7-159.8-128.3 127.2 7.9 33.6 39.2 72 93 A Y E +c 46 0A 86 -2,-0.4 -25,-0.2 -27,-0.2 -27,-0.1 -0.947 19.8 163.4-114.4 115.8 10.1 31.5 41.5 73 94 A I - 0 0 15 -27,-2.7 2,-0.5 -2,-0.5 15,-0.0 -0.831 26.4-152.7-128.5 85.1 8.5 28.8 43.7 74 95 A P - 0 0 56 0, 0.0 2,-0.6 0, 0.0 -26,-0.2 -0.510 10.2-165.2 -73.9 120.9 11.2 26.6 44.9 75 96 A V - 0 0 0 -28,-2.9 2,-0.6 -2,-0.5 34,-0.1 -0.905 16.6-135.2-105.4 122.2 9.9 23.1 45.6 76 97 A D > - 0 0 78 -2,-0.6 3,-1.8 3,-0.5 -28,-0.1 -0.653 8.2-151.5 -76.1 119.5 12.0 20.7 47.6 77 98 A W T 3 S+ 0 0 61 -2,-0.6 -1,-0.2 1,-0.3 66,-0.1 0.848 98.4 47.9 -59.4 -32.9 11.8 17.4 45.8 78 99 A Q T 3 S+ 0 0 136 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.350 124.8 28.8 -91.3 3.3 12.4 15.6 49.1 79 100 A N S < S- 0 0 81 -3,-1.8 -3,-0.5 2,-0.0 -1,-0.2 -0.277 72.2-179.8-159.9 66.7 9.8 17.7 50.9 80 101 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.482 15.2-156.4 -67.2 147.6 6.9 18.9 48.8 81 102 A K >> - 0 0 86 -2,-0.1 4,-1.3 1,-0.1 3,-1.0 -0.923 28.3-127.7-128.1 144.5 4.4 21.0 50.6 82 103 A V H 3> S+ 0 0 37 -2,-0.3 4,-2.6 1,-0.2 3,-0.2 0.881 112.6 62.3 -51.9 -38.1 0.7 21.8 50.1 83 104 A E H 3> S+ 0 0 127 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.790 98.0 56.0 -62.8 -26.1 1.7 25.4 50.5 84 105 A D H <> S+ 0 0 17 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.902 108.4 46.6 -67.1 -44.7 3.9 25.1 47.4 85 106 A V H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.2 -2,-0.2 0.924 111.9 51.3 -65.3 -41.8 1.0 23.9 45.4 86 107 A E H X S+ 0 0 72 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.884 108.3 52.0 -62.6 -38.3 -1.1 26.8 46.8 87 108 A A H X S+ 0 0 43 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.902 110.6 48.9 -63.7 -41.4 1.6 29.3 45.8 88 109 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.937 110.2 49.5 -61.1 -47.2 1.6 27.9 42.3 89 110 A F H X S+ 0 0 5 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.916 111.6 50.5 -60.5 -41.8 -2.2 28.2 42.1 90 111 A A H X S+ 0 0 49 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.900 109.1 50.2 -60.7 -43.4 -1.9 31.8 43.3 91 112 A A H < S+ 0 0 4 -4,-2.3 4,-0.5 2,-0.2 3,-0.3 0.913 109.8 51.6 -62.4 -41.5 0.7 32.6 40.7 92 113 A X H >< S+ 0 0 13 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.945 107.7 51.9 -60.2 -45.9 -1.6 31.1 38.0 93 114 A D H >< S+ 0 0 67 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.768 104.7 56.9 -63.1 -25.7 -4.4 33.3 39.2 94 115 A Q T 3< S+ 0 0 152 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.566 111.7 43.7 -80.8 -6.8 -2.2 36.4 39.0 95 116 A H T X S+ 0 0 33 -3,-1.8 3,-1.9 -4,-0.5 -1,-0.2 -0.168 77.7 164.5-129.7 37.2 -1.6 35.6 35.2 96 117 A K T < S+ 0 0 159 -3,-0.7 3,-0.1 1,-0.3 -3,-0.1 -0.303 70.6 15.1 -61.1 141.4 -5.0 34.6 33.9 97 118 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.451 103.4 115.6 71.3 4.0 -5.3 34.6 30.2 98 119 A K S < S- 0 0 110 -3,-1.9 2,-0.5 -6,-0.2 -1,-0.2 -0.681 73.8-107.7-100.5 155.8 -1.5 34.7 29.8 99 120 A D - 0 0 5 -59,-0.4 -57,-2.8 -2,-0.2 -56,-2.0 -0.756 44.1-167.1 -83.2 124.7 0.7 31.9 28.2 100 121 A V E -bd 22 43A 3 -79,-2.8 -77,-3.0 -2,-0.5 2,-0.5 -0.915 22.3-162.0-123.3 136.2 2.7 30.2 31.0 101 122 A L E -bd 23 44A 0 -58,-2.4 -56,-3.3 -2,-0.4 2,-0.5 -0.993 9.5-169.5-107.6 127.3 5.6 27.8 31.2 102 123 A V E +bd 24 45A 0 -79,-2.5 -77,-1.6 -2,-0.5 2,-0.3 -0.958 23.6 165.0-110.0 128.1 5.9 25.9 34.5 103 124 A H E +bd 25 46A 0 -58,-2.6 -56,-2.9 -2,-0.5 -55,-0.4 -0.952 26.1 165.8-142.9 165.8 9.3 24.1 34.7 104 125 A C - 0 0 1 -79,-1.5 -56,-0.1 -2,-0.3 -59,-0.0 -0.381 63.1 -65.2-146.9-137.5 11.8 22.3 36.8 105 126 A L S S+ 0 0 36 -79,-0.3 -78,-2.0 -2,-0.2 -79,-0.2 0.894 123.2 1.5 -90.0 -45.8 14.7 20.1 35.7 106 127 A A S S- 0 0 23 -80,-0.3 -80,-0.3 -81,-0.2 -92,-0.1 0.099 103.4 -99.9-135.4 16.7 13.1 17.1 34.1 107 128 A N S > S+ 0 0 0 -82,-0.5 4,-0.8 -94,-0.1 27,-0.1 0.674 88.5 116.6 66.3 27.9 9.3 17.9 34.3 108 129 A Y H > S+ 0 0 55 2,-0.1 4,-2.1 3,-0.1 5,-0.2 0.956 84.7 32.6 -77.1 -63.5 8.5 15.8 37.4 109 130 A R H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 122.1 50.3 -54.3 -46.6 7.5 18.6 39.7 110 131 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.919 110.4 47.3 -67.5 -44.0 6.1 20.8 36.9 111 132 A S H X S+ 0 0 0 -4,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.893 113.7 49.1 -62.7 -40.0 3.9 18.1 35.3 112 133 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.905 113.6 45.7 -62.9 -46.0 2.5 17.2 38.8 113 134 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.919 112.2 51.5 -63.8 -42.4 1.8 20.8 39.6 114 135 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.930 109.4 51.9 -59.9 -44.2 0.2 21.4 36.2 115 136 A Y H X S+ 0 0 15 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.931 110.1 46.8 -54.8 -53.3 -2.0 18.3 36.8 116 137 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.889 111.8 51.7 -64.8 -36.7 -3.2 19.5 40.2 117 138 A Y H X S+ 0 0 30 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.946 110.7 46.5 -61.7 -48.8 -3.9 23.0 38.8 118 139 A Q H <>S+ 0 0 10 -4,-2.6 5,-2.5 2,-0.2 6,-0.5 0.879 112.5 52.4 -64.4 -34.5 -6.0 21.6 35.9 119 140 A L H ><5S+ 0 0 5 -4,-2.4 3,-1.7 -5,-0.2 5,-0.3 0.973 110.8 46.0 -60.2 -52.3 -7.8 19.4 38.4 120 141 A K H 3<5S+ 0 0 49 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.861 109.3 56.5 -59.0 -38.0 -8.7 22.3 40.6 121 142 A Q T 3<5S- 0 0 82 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.525 115.9-114.0 -76.9 -3.7 -9.8 24.3 37.6 122 143 A G T < 5S+ 0 0 45 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.679 78.3 129.1 78.9 21.9 -12.3 21.7 36.6 123 144 A Q < - 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