==== 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 30-JAN-09 3G23 . COMPND 2 MOLECULE: LD-CARBOXYPEPTIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 540 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.5 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 . 0 0.0 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 . 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 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 1 0 2 1 2 0 1 5 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 4 4 2 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 . 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 2 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 93 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -18.9 18.9 3.3 -5.3 2 1 A X - 0 0 164 1,-0.1 2,-0.1 2,-0.0 31,-0.1 -0.556 360.0-143.1 -74.6 126.3 15.9 3.8 -3.0 3 2 A T - 0 0 99 -2,-0.4 2,-0.3 31,-0.0 31,-0.2 -0.377 16.0-165.6 -91.4 165.1 16.8 6.6 -0.6 4 3 A R E -a 34 0A 61 29,-1.9 31,-2.2 -2,-0.1 2,-0.5 -0.971 9.8-146.5-151.9 134.0 16.1 7.1 3.1 5 4 A R E -a 35 0A 113 -2,-0.3 65,-2.7 29,-0.2 66,-0.8 -0.912 12.7-165.9-109.6 129.8 16.3 10.1 5.3 6 5 A I E -ab 36 71A 0 29,-2.7 31,-2.8 -2,-0.5 2,-0.3 -0.959 7.9-150.1-117.9 125.4 17.2 9.8 9.0 7 6 A A E -ab 37 72A 2 64,-2.6 66,-3.0 -2,-0.4 2,-0.4 -0.717 11.5-159.1 -90.8 137.5 16.7 12.6 11.7 8 7 A I E +ab 38 73A 0 29,-2.5 31,-3.0 -2,-0.3 34,-0.3 -0.989 17.6 162.7-122.8 132.2 19.1 12.8 14.6 9 8 A C E - b 0 74A 0 64,-1.0 66,-2.9 -2,-0.4 67,-0.3 -0.837 38.1-118.9-142.5 170.0 18.4 14.5 18.0 10 9 A A + 0 0 0 -2,-0.2 40,-0.2 64,-0.2 50,-0.1 -0.799 24.9 176.5-119.2 85.4 19.7 14.6 21.6 11 10 A P S S- 0 0 0 0, 0.0 72,-0.2 0, 0.0 -1,-0.1 0.684 83.0 -4.0 -65.5 -16.6 17.0 13.5 24.0 12 11 A S S S+ 0 0 0 1,-0.4 38,-2.6 64,-0.3 67,-0.1 0.428 123.4 24.8-131.7 -80.4 19.5 13.7 26.9 13 12 A T S S- 0 0 8 36,-0.3 -1,-0.4 65,-0.2 36,-0.2 -0.650 76.8-100.6-106.1 155.5 23.2 14.6 26.5 14 13 A P - 0 0 18 0, 0.0 29,-0.2 0, 0.0 2,-0.2 -0.290 20.5-154.7 -86.3 156.4 25.0 16.5 23.8 15 14 A F - 0 0 5 27,-3.2 2,-0.3 29,-0.1 61,-0.1 -0.518 21.3-118.4-104.7-179.8 27.1 15.5 20.7 16 15 A T > - 0 0 64 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.914 14.4-124.8-124.5 152.5 29.8 17.5 18.9 17 16 A R H > S+ 0 0 130 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.887 107.0 54.5 -65.2 -42.0 30.0 18.8 15.3 18 17 A E H > S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.891 110.1 48.0 -62.2 -38.6 33.3 17.2 14.3 19 18 A D H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 109.5 52.0 -70.9 -36.7 32.0 13.8 15.4 20 19 A S H X S+ 0 0 9 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.903 106.2 55.9 -61.1 -38.4 28.8 14.3 13.5 21 20 A A H X S+ 0 0 54 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.888 106.2 51.9 -59.5 -37.1 31.0 15.2 10.4 22 21 A R H X S+ 0 0 92 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.883 110.1 46.6 -64.8 -43.7 32.7 11.8 10.9 23 22 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.918 111.2 52.2 -65.0 -44.1 29.4 9.9 10.9 24 23 A I H X S+ 0 0 78 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.893 110.3 49.2 -58.1 -42.7 28.2 11.9 7.8 25 24 A A H X S+ 0 0 59 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.886 109.6 50.5 -66.1 -40.9 31.4 10.9 6.0 26 25 A L H X S+ 0 0 13 -4,-2.0 4,-2.4 2,-0.2 5,-0.4 0.932 113.5 45.1 -61.8 -50.3 31.1 7.2 6.8 27 26 A A H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 7,-0.3 0.906 110.0 55.1 -61.2 -42.6 27.5 7.1 5.6 28 27 A A H < S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.909 116.7 37.4 -56.5 -43.6 28.3 9.1 2.5 29 28 A A H < S+ 0 0 81 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.853 130.7 26.1 -75.7 -40.2 31.0 6.5 1.5 30 29 A E H < S+ 0 0 73 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.698 131.2 30.4-106.2 -25.9 29.4 3.3 2.6 31 30 A F >< + 0 0 38 -4,-2.6 3,-1.8 -5,-0.4 -1,-0.2 -0.593 65.0 169.8-134.3 69.6 25.6 3.9 2.5 32 31 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.650 73.9 57.9 -63.3 -19.1 25.2 6.4 -0.3 33 32 A D T 3 S+ 0 0 69 -31,-0.1 -29,-1.9 -6,-0.1 2,-0.2 0.568 90.8 87.2 -83.9 -12.7 21.4 6.2 -0.4 34 33 A L E < -a 4 0A 17 -3,-1.8 2,-0.4 -7,-0.3 -29,-0.2 -0.618 62.1-160.9 -82.6 149.0 21.0 7.2 3.2 35 34 A S E -a 5 0A 53 -31,-2.2 -29,-2.7 -2,-0.2 2,-0.4 -0.989 5.5-153.5-130.5 121.9 20.8 10.9 4.1 36 35 A L E -a 6 0A 28 -2,-0.4 2,-0.5 -31,-0.2 -29,-0.2 -0.840 9.2-172.5-101.6 130.8 21.6 12.0 7.7 37 36 A S E -a 7 0A 36 -31,-2.8 -29,-2.5 -2,-0.4 2,-0.7 -0.926 7.7-161.8-120.3 102.2 20.1 15.2 9.2 38 37 A F E -a 8 0A 27 -2,-0.5 -29,-0.2 -31,-0.2 -31,-0.1 -0.773 22.5-129.1 -79.4 115.2 21.5 16.1 12.7 39 38 A H > - 0 0 44 -31,-3.0 3,-2.0 -2,-0.7 4,-0.3 -0.368 18.7-119.2 -57.4 140.6 19.2 18.6 14.4 40 39 A E G > S+ 0 0 120 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.793 111.5 71.3 -51.6 -30.9 21.0 21.7 15.7 41 40 A Q G > S+ 0 0 6 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.657 78.9 76.0 -64.5 -21.2 19.9 20.7 19.2 42 41 A C G < S+ 0 0 0 -3,-2.0 -27,-3.2 -34,-0.3 -1,-0.3 0.792 101.1 42.8 -50.3 -32.2 22.4 17.7 19.0 43 42 A F G < S+ 0 0 34 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.413 87.5 111.0-106.1 -2.6 25.1 20.3 19.7 44 43 A A < - 0 0 27 -3,-0.7 2,-0.4 -4,-0.2 -29,-0.1 -0.428 46.8-169.9 -66.1 143.4 23.4 22.5 22.4 45 44 A S + 0 0 68 5,-0.2 5,-0.2 -2,-0.1 3,-0.1 -0.973 35.0 164.3-143.3 134.2 24.9 22.2 25.8 46 45 A E S S- 0 0 135 3,-2.8 2,-0.6 -2,-0.4 3,-0.2 -0.005 76.2 -87.6-119.1 24.5 23.9 23.4 29.3 47 46 A G S S+ 0 0 9 2,-0.3 459,-0.2 1,-0.2 457,-0.1 -0.927 114.8 17.4 108.0-105.9 26.4 21.1 30.9 48 47 A H S S+ 0 0 27 457,-2.7 2,-0.2 -2,-0.6 -1,-0.2 0.941 124.9 56.3 -62.4 -48.3 24.9 17.7 31.5 49 48 A F S S- 0 0 15 456,-0.3 -3,-2.8 457,-0.3 2,-1.9 -0.559 81.9-122.5 -97.5 153.2 22.0 18.2 29.1 50 49 A A S S- 0 0 0 -38,-2.6 -5,-0.2 -5,-0.2 -6,-0.2 -0.439 87.7 -45.9 -85.8 65.1 21.8 19.1 25.4 51 50 A G S S- 0 0 2 -2,-1.9 -5,-0.2 -8,-0.1 -1,-0.1 -0.242 93.5 -40.2 94.0 172.7 19.7 22.2 26.3 52 51 A S > - 0 0 66 1,-0.1 4,-2.6 -2,-0.1 3,-0.4 -0.198 61.2-102.3 -63.1 163.4 16.7 22.6 28.6 53 52 A D H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 124.8 54.3 -53.5 -41.9 13.9 20.0 28.9 54 53 A A H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 109.9 46.1 -59.7 -39.2 11.8 22.3 26.6 55 54 A L H > S+ 0 0 74 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.907 113.6 47.3 -71.7 -44.9 14.4 22.4 23.9 56 55 A R H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.924 114.8 47.2 -61.2 -45.3 15.1 18.6 24.0 57 56 A L H X S+ 0 0 22 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.917 112.5 50.4 -58.9 -49.8 11.4 17.9 23.9 58 57 A S H X S+ 0 0 50 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.921 110.8 47.1 -55.9 -48.4 10.9 20.4 21.0 59 58 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.903 111.9 51.4 -64.3 -40.0 13.7 19.0 18.9 60 59 A F H X S+ 0 0 1 -4,-2.0 4,-3.3 1,-0.2 5,-0.2 0.946 111.5 46.0 -63.7 -47.8 12.5 15.4 19.4 61 60 A L H X S+ 0 0 25 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.829 109.4 56.1 -63.9 -35.4 8.9 16.3 18.4 62 61 A E H < S+ 0 0 106 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.889 115.1 38.3 -60.0 -44.1 10.2 18.2 15.3 63 62 A C H >< S+ 0 0 7 -4,-2.1 3,-1.0 2,-0.1 6,-0.2 0.937 118.0 48.4 -67.1 -49.7 12.1 15.1 14.2 64 63 A A H 3< S+ 0 0 0 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.873 114.7 43.9 -65.4 -37.5 9.4 12.6 15.1 65 64 A N T 3< S+ 0 0 59 -4,-2.4 2,-0.7 -5,-0.2 -1,-0.2 0.399 89.8 96.7 -92.8 0.3 6.5 14.5 13.5 66 65 A D X - 0 0 68 -3,-1.0 3,-1.5 -4,-0.3 -4,-0.0 -0.823 59.1-159.1 -91.4 114.7 8.3 15.4 10.3 67 66 A D T 3 S+ 0 0 136 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.0 0.451 81.5 85.0 -80.0 2.4 7.3 12.9 7.6 68 67 A A T 3 S+ 0 0 33 -5,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.625 88.1 66.9 -63.3 -16.2 10.5 13.8 5.6 69 68 A F < - 0 0 23 -3,-1.5 -63,-0.2 -6,-0.2 3,-0.1 -0.923 57.6-169.6-117.2 138.6 12.2 11.3 7.9 70 69 A E S S+ 0 0 59 -65,-2.7 30,-1.7 -2,-0.4 2,-0.3 0.534 79.8 26.5 -93.7 -14.7 11.7 7.5 8.1 71 70 A A E -bc 6 100A 0 -66,-0.8 -64,-2.6 28,-0.2 2,-0.5 -0.990 57.5-148.9-145.5 151.9 13.7 7.2 11.3 72 71 A V E -bc 7 101A 0 28,-2.5 30,-2.4 -2,-0.3 2,-0.6 -0.998 21.1-164.9-115.9 120.3 14.8 9.2 14.5 73 72 A W E -bc 8 102A 0 -66,-3.0 -64,-1.0 -2,-0.5 2,-0.3 -0.943 18.8-131.6-110.3 115.7 18.2 8.0 15.6 74 73 A F E -b 9 0A 0 28,-2.6 -64,-0.2 -2,-0.6 30,-0.1 -0.512 13.3-149.2 -72.4 127.4 19.0 9.2 19.2 75 74 A V S S- 0 0 0 -66,-2.9 54,-1.7 -2,-0.3 2,-0.3 0.828 70.8 -1.2 -70.8 -32.5 22.5 10.7 19.1 76 75 A R - 0 0 75 -67,-0.3 -64,-0.3 52,-0.1 -1,-0.2 -0.965 56.7-145.0-159.1 151.4 23.7 9.8 22.7 77 76 A G + 0 0 8 -2,-0.3 29,-2.3 -65,-0.1 31,-0.1 -0.227 42.8 135.7-130.5 47.5 22.2 8.1 25.7 78 77 A G S S- 0 0 24 1,-0.2 3,-0.4 27,-0.1 -65,-0.2 -0.370 70.7 -59.1 -74.3 170.0 23.4 9.6 28.9 79 78 A Y S S+ 0 0 13 1,-0.2 -1,-0.2 -67,-0.1 392,-0.0 -0.177 103.6 66.1 -53.0 134.9 20.8 10.3 31.7 80 79 A G > + 0 0 0 -3,-0.1 3,-1.5 26,-0.1 -1,-0.2 0.365 48.2 108.3 144.8 -7.6 17.9 12.5 30.9 81 80 A A T >> S+ 0 0 0 -3,-0.4 3,-2.0 1,-0.3 4,-1.7 0.766 73.9 75.0 -67.2 -20.6 15.4 11.3 28.4 82 81 A N H 3> S+ 0 0 7 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.731 86.2 64.9 -60.2 -20.5 12.8 10.7 31.2 83 82 A R H <4 S+ 0 0 27 -3,-1.5 -1,-0.3 -72,-0.2 -2,-0.2 0.505 114.7 27.0 -82.5 -5.6 12.4 14.5 31.4 84 83 A I H <> S+ 0 0 0 -3,-2.0 4,-2.6 -4,-0.1 -2,-0.2 0.549 100.0 83.9-121.6 -17.2 10.9 14.6 27.9 85 84 A A H X S+ 0 0 1 -4,-1.7 4,-1.9 1,-0.2 -3,-0.1 0.914 92.4 43.3 -65.3 -49.4 9.2 11.1 27.3 86 85 A E H X S+ 0 0 67 -4,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.945 117.9 45.4 -61.8 -48.3 5.8 11.6 29.0 87 86 A D H 4 S+ 0 0 40 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.858 109.8 56.9 -63.5 -36.6 5.3 15.1 27.5 88 87 A A H >< S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.2 4,-0.3 0.906 99.9 57.9 -60.6 -41.7 6.4 13.8 24.1 89 88 A L H >< S+ 0 0 39 -4,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.834 102.7 54.3 -59.2 -36.5 3.8 11.0 24.0 90 89 A A T 3< S+ 0 0 83 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.608 113.6 42.0 -73.3 -12.5 1.0 13.6 24.4 91 90 A R T < S+ 0 0 131 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.2 0.199 80.2 120.3-123.9 13.4 2.2 15.5 21.3 92 91 A L < - 0 0 32 -3,-0.8 2,-0.1 -4,-0.3 -31,-0.0 -0.655 45.9-155.5 -82.7 135.9 3.1 12.9 18.7 93 92 A G >> - 0 0 38 -2,-0.3 3,-1.0 -32,-0.2 4,-0.6 -0.294 36.7 -81.6 -96.8-172.6 1.2 13.1 15.4 94 93 A R G >4 S+ 0 0 91 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.906 124.3 61.6 -59.9 -44.0 0.4 10.5 12.7 95 94 A A G >4 S+ 0 0 22 1,-0.2 3,-1.4 -30,-0.2 -1,-0.3 0.827 94.4 65.0 -50.8 -31.2 3.8 10.9 11.1 96 95 A A G X4 S+ 0 0 0 -3,-1.0 3,-0.9 1,-0.3 -1,-0.2 0.813 95.2 55.5 -72.4 -27.2 5.3 9.6 14.3 97 96 A S G << S+ 0 0 70 -3,-1.4 23,-0.4 -4,-0.6 -1,-0.3 0.571 100.0 62.0 -74.9 -12.4 3.7 6.1 13.9 98 97 A A G < S+ 0 0 76 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 0.121 97.4 78.1 -99.4 20.0 5.3 5.7 10.4 99 98 A K < - 0 0 6 -3,-0.9 22,-1.4 -35,-0.0 2,-0.3 -0.826 69.4-131.4-124.0 162.2 8.9 5.9 11.8 100 99 A Q E -cd 71 121A 2 -30,-1.7 -28,-2.5 -2,-0.3 2,-0.4 -0.864 16.7-150.3-110.4 152.4 11.4 3.8 13.6 101 100 A Y E -cd 72 122A 0 20,-2.7 22,-2.6 -2,-0.3 2,-0.4 -0.987 17.0-169.9-128.0 125.4 13.4 5.1 16.6 102 101 A L E +cd 73 123A 0 -30,-2.4 -28,-2.6 -2,-0.4 2,-0.3 -0.965 27.4 79.7-129.5 128.5 16.9 3.8 17.3 103 102 A G E - d 0 124A 0 20,-1.8 22,-1.4 -2,-0.4 2,-0.2 -0.966 45.4-125.4 175.8-161.7 19.5 3.9 20.1 104 103 A Y > + 0 0 4 -2,-0.3 3,-1.5 20,-0.2 5,-0.1 -0.844 63.8 37.5-147.5-173.9 20.5 2.4 23.5 105 104 A S G > S- 0 0 17 1,-0.3 3,-1.9 -2,-0.2 62,-0.4 -0.413 127.5 -3.6 64.6-137.5 21.3 3.3 27.2 106 105 A D G > S+ 0 0 7 -29,-2.3 3,-2.9 1,-0.3 4,-0.4 0.787 126.1 72.1 -57.3 -28.6 19.0 6.1 28.5 107 106 A A G X> S+ 0 0 0 -3,-1.5 4,-2.2 1,-0.3 3,-1.2 0.782 78.6 79.3 -58.4 -23.8 17.4 6.5 25.0 108 107 A G H <> S+ 0 0 2 -3,-1.9 4,-2.7 1,-0.3 -1,-0.3 0.733 78.9 69.5 -49.0 -29.1 15.8 3.1 26.0 109 108 A T H <> S+ 0 0 0 -3,-2.9 4,-2.0 2,-0.2 -1,-0.3 0.921 104.5 39.5 -56.6 -46.4 13.5 5.4 28.0 110 109 A L H <> S+ 0 0 3 -3,-1.2 4,-2.9 -4,-0.4 5,-0.4 0.915 113.2 54.7 -69.4 -42.8 12.0 6.6 24.7 111 110 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.915 112.1 46.0 -54.2 -44.7 12.2 3.1 23.1 112 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.920 112.4 48.0 -64.3 -50.7 10.1 1.9 26.0 113 112 A A H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.898 114.3 45.7 -63.5 -40.7 7.6 4.6 26.0 114 113 A L H ><>S+ 0 0 2 -4,-2.9 5,-2.8 1,-0.2 3,-0.7 0.917 113.9 49.0 -69.9 -38.4 7.0 4.4 22.2 115 114 A Y H ><5S+ 0 0 40 -4,-2.1 3,-0.9 -5,-0.4 -2,-0.2 0.864 102.5 62.3 -67.3 -34.9 6.7 0.6 22.3 116 115 A A H 3<5S+ 0 0 36 -4,-2.4 -1,-0.2 63,-0.3 -2,-0.2 0.714 115.7 33.4 -62.4 -23.5 4.3 0.8 25.3 117 116 A H T <<5S- 0 0 103 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.318 112.1-118.0-111.6 2.4 1.9 2.6 23.0 118 117 A R T < 5 + 0 0 110 -3,-0.9 2,-0.8 -4,-0.4 -3,-0.2 0.926 53.2 163.7 62.0 44.2 2.9 0.9 19.7 119 118 A I < - 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