==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-07 2PJ3 . COMPND 2 MOLECULE: CARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.ADLER,M.WHITLOW . 914 3 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 625 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 5.3 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 55 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.0 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 0 0 3 0 6 0 0 3 0 3 0 0 3 0 3 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 3 3 3 3 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 . 0 0 6 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 3 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 6 A G 0 0 112 0, 0.0 2,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 161.3 6.8 8.8 57.3 2 7 A H - 0 0 46 10,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.604 360.0-179.8 -82.9 142.6 9.9 9.1 55.2 3 8 A S > - 0 0 41 -2,-0.3 3,-1.0 3,-0.2 5,-0.0 -0.985 26.5-150.2-141.0 137.0 11.1 12.4 53.7 4 9 A Y T 3 S+ 0 0 38 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.643 100.9 51.4 -78.0 -14.3 14.2 13.0 51.6 5 10 A E T 3 S+ 0 0 94 277,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.108 107.2 60.8-109.7 20.8 14.4 16.6 52.9 6 11 A K S < S- 0 0 102 -3,-1.0 2,-0.4 276,-0.1 -3,-0.2 -0.958 91.3-103.1-134.4 159.0 14.3 15.6 56.5 7 12 A Y - 0 0 16 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 -0.709 40.9-152.1 -81.0 130.9 16.5 13.4 58.7 8 13 A N - 0 0 11 -2,-0.4 -6,-0.1 1,-0.1 63,-0.0 -0.837 10.5-121.4-109.1 140.5 14.8 10.1 59.2 9 14 A N > - 0 0 47 -2,-0.4 4,-2.5 1,-0.1 3,-0.3 -0.213 36.6-100.3 -72.1 169.6 15.2 7.8 62.2 10 15 A W H > S+ 0 0 5 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.906 121.4 57.3 -62.3 -41.3 16.5 4.2 61.6 11 16 A E H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 112.4 43.3 -54.3 -42.2 13.0 2.6 61.8 12 17 A T H > S+ 0 0 31 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.887 112.9 50.3 -72.6 -40.9 12.0 4.9 59.0 13 18 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.924 111.0 50.6 -62.9 -42.4 15.1 4.4 57.0 14 19 A E H X S+ 0 0 59 -4,-3.5 4,-1.5 1,-0.2 -2,-0.2 0.934 110.3 48.2 -59.9 -46.9 14.7 0.7 57.3 15 20 A A H X S+ 0 0 61 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.867 110.6 54.5 -62.1 -34.7 11.1 0.8 56.1 16 21 A W H X S+ 0 0 1 -4,-2.0 4,-3.2 2,-0.2 5,-0.4 0.893 101.2 56.1 -66.5 -41.0 12.3 3.0 53.3 17 22 A T H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.882 112.8 43.8 -59.9 -35.7 14.9 0.4 52.1 18 23 A K H X S+ 0 0 112 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.917 116.9 45.1 -72.4 -45.0 12.1 -2.1 51.8 19 24 A Q H X S+ 0 0 71 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.922 112.3 48.2 -69.4 -44.8 9.7 0.3 50.1 20 25 A V H X S+ 0 0 2 -4,-3.2 4,-0.7 1,-0.2 -1,-0.2 0.872 114.9 48.1 -67.3 -33.3 12.0 1.8 47.6 21 26 A T H >< S+ 0 0 20 -4,-1.1 3,-0.8 -5,-0.4 7,-0.3 0.931 111.7 48.8 -67.6 -46.6 13.2 -1.7 46.7 22 27 A S H 3< S+ 0 0 72 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.848 113.2 48.4 -62.0 -33.7 9.6 -2.9 46.4 23 28 A E H 3< S+ 0 0 123 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.617 123.1 31.8 -83.6 -13.3 8.7 0.1 44.2 24 29 A N XX + 0 0 32 -3,-0.8 3,-2.2 -4,-0.7 4,-2.1 -0.300 63.5 150.0-140.7 54.1 11.7 -0.4 41.9 25 30 A P T 34 S+ 0 0 92 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.665 75.4 61.1 -64.5 -15.8 12.6 -4.1 41.7 26 31 A D T 34 S+ 0 0 90 1,-0.1 3,-0.1 -3,-0.1 -5,-0.0 0.375 119.6 25.2 -90.8 4.7 14.0 -3.5 38.2 27 32 A L T <4 S+ 0 0 9 -3,-2.2 21,-2.7 1,-0.3 2,-0.4 0.452 120.5 49.9-137.9 -15.4 16.6 -1.1 39.5 28 33 A I E < -A 47 0A 3 -4,-2.1 2,-0.4 -7,-0.3 -1,-0.3 -0.993 47.0-177.6-136.7 132.9 17.1 -2.1 43.2 29 34 A S E -A 46 0A 64 17,-1.5 17,-3.0 -2,-0.4 2,-0.5 -0.989 18.6-148.9-119.2 139.6 17.8 -5.3 45.1 30 35 A R E +A 45 0A 74 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.916 22.1 165.0-109.2 129.3 18.1 -5.3 48.9 31 36 A T E -A 44 0A 74 13,-2.4 13,-2.7 -2,-0.5 2,-0.4 -0.867 32.0-128.1-127.4 167.3 20.3 -7.6 50.9 32 37 A A E -A 43 0A 61 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.977 14.4-170.8-113.0 133.8 21.6 -7.7 54.4 33 38 A I E - 0 0 33 9,-2.6 2,-0.3 -2,-0.4 144,-0.1 0.283 63.5 -43.6-108.2 10.2 25.3 -8.1 54.8 34 39 A G E - 0 0 27 8,-0.3 8,-2.6 5,-0.0 -1,-0.3 -0.886 61.3 -84.6 154.4 177.6 25.3 -8.6 58.6 35 40 A T E -A 41 0A 54 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.834 35.1-121.8-112.6 156.4 23.9 -7.5 61.9 36 41 A T > - 0 0 0 4,-2.1 3,-1.8 -2,-0.3 71,-0.1 -0.306 40.4 -92.5 -83.3 175.2 25.1 -4.7 64.2 37 42 A F T 3 S+ 0 0 88 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.883 130.4 45.3 -56.0 -38.2 26.2 -5.2 67.8 38 43 A L T 3 S- 0 0 102 88,-0.0 -1,-0.3 2,-0.0 88,-0.0 0.250 125.2-101.0 -94.8 11.8 22.6 -4.5 68.9 39 44 A G < + 0 0 47 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.672 70.0 145.9 86.0 17.9 21.1 -6.7 66.2 40 45 A N - 0 0 39 1,-0.1 -4,-2.1 2,-0.0 2,-0.5 -0.548 53.8-104.6 -84.1 156.9 20.0 -4.2 63.6 41 46 A N E -A 35 0A 62 -6,-0.2 2,-1.3 -2,-0.2 -6,-0.2 -0.715 19.8-143.9 -92.0 124.0 20.1 -5.2 59.9 42 47 A I E - 0 0 0 -8,-2.6 -9,-2.6 -2,-0.5 -8,-0.3 -0.689 27.2-159.6 -86.7 94.0 22.9 -3.8 57.8 43 48 A Y E -A 32 0A 16 -2,-1.3 2,-0.4 -11,-0.2 62,-0.4 -0.437 12.3-165.9 -79.9 147.7 21.2 -3.3 54.5 44 49 A L E -A 31 0A 2 -13,-2.7 -13,-2.4 59,-0.2 2,-0.5 -0.999 7.7-153.1-130.5 128.4 22.9 -3.0 51.2 45 50 A L E -AB 30 102A 0 57,-3.2 57,-3.1 -2,-0.4 2,-0.8 -0.897 3.3-153.5-103.1 126.1 21.1 -1.7 48.1 46 51 A K E -AB 29 101A 83 -17,-3.0 -17,-1.5 -2,-0.5 2,-0.5 -0.876 19.3-168.0 -97.8 105.5 22.3 -2.9 44.7 47 52 A V E +AB 28 100A 0 53,-3.1 53,-3.0 -2,-0.8 2,-0.2 -0.844 37.4 75.4-102.3 123.6 21.3 -0.0 42.4 48 53 A G S S- 0 0 4 -21,-2.7 48,-0.2 -2,-0.5 51,-0.1 -0.833 86.6 -66.6 156.2 164.4 21.5 -0.6 38.7 49 54 A K - 0 0 56 46,-2.5 -22,-0.1 49,-0.4 -23,-0.1 -0.714 66.3-112.9 -80.2 116.3 19.9 -2.4 35.7 50 55 A P + 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 -0.130 56.6 131.4 -60.7 142.9 20.4 -6.1 36.4 51 56 A G - 0 0 41 3,-0.0 3,-0.5 46,-0.0 2,-0.1 -0.952 54.3 -68.8-176.5 166.6 22.7 -8.1 34.2 52 57 A P S S- 0 0 105 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.384 100.9 -5.9 -73.8 145.1 25.7 -10.6 34.3 53 58 A N S S+ 0 0 161 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 0.853 80.1 172.6 38.1 60.9 29.2 -9.7 35.4 54 59 A K - 0 0 24 -3,-0.5 44,-0.2 1,-0.1 -1,-0.2 -0.758 31.4-123.0 -92.0 141.6 28.8 -5.9 35.9 55 60 A P - 0 0 31 0, 0.0 44,-2.0 0, 0.0 2,-0.3 -0.289 35.6-151.0 -67.6 168.9 31.5 -3.8 37.4 56 61 A A E -cd 99 185A 1 128,-2.8 130,-3.1 42,-0.2 131,-0.7 -0.966 21.5-144.7-145.2 156.7 30.5 -1.8 40.5 57 62 A I E -cd 100 187A 1 42,-2.6 44,-3.2 -2,-0.3 2,-0.5 -0.986 23.4-147.2-117.3 137.6 31.0 1.3 42.6 58 63 A F E +cd 101 188A 0 129,-2.7 131,-3.1 -2,-0.4 2,-0.4 -0.912 19.9 173.9-108.9 128.2 30.7 1.0 46.3 59 64 A M E -cd 102 189A 1 42,-3.3 44,-2.6 -2,-0.5 2,-0.3 -0.994 5.0-175.2-133.9 128.8 29.4 3.8 48.4 60 65 A D E -cd 103 190A 0 129,-2.0 131,-2.6 -2,-0.4 2,-0.3 -0.882 2.3-170.5-118.2 155.8 28.6 3.9 52.1 61 66 A a E + d 0 191A 0 42,-2.4 45,-1.6 -2,-0.3 46,-0.2 -0.896 60.1 42.4-129.4 164.4 27.0 6.5 54.5 62 67 A G + 0 0 0 129,-0.6 45,-2.1 -2,-0.3 49,-0.2 0.768 53.1 142.5 75.3 27.0 26.6 6.7 58.2 63 68 A F S S+ 0 0 0 128,-0.6 2,-0.5 43,-0.2 47,-0.1 0.931 75.5 46.5 -56.5 -45.7 30.0 5.5 59.4 64 69 A H S > S- 0 0 4 3,-0.1 3,-1.6 1,-0.1 -1,-0.2 -0.891 82.9-140.9-111.6 127.1 29.7 8.1 62.1 65 70 A A T 3 S+ 0 0 0 57,-1.4 57,-0.2 -2,-0.5 -1,-0.1 0.799 96.0 47.6 -58.7 -40.2 26.5 8.5 64.0 66 71 A R T 3 S+ 0 0 36 55,-0.9 2,-1.9 1,-0.2 -1,-0.3 0.558 84.9 92.2 -81.5 -8.9 26.2 12.3 64.3 67 72 A E X> + 0 0 5 -3,-1.6 3,-1.7 1,-0.2 4,-0.8 -0.450 50.6 165.4 -86.8 68.5 27.0 13.0 60.7 68 73 A W H 3> + 0 0 27 -2,-1.9 4,-1.9 207,-0.5 -1,-0.2 0.733 64.5 64.8 -64.2 -28.8 23.3 13.0 59.7 69 74 A I H 3> S+ 0 0 1 206,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.776 96.9 61.0 -66.5 -24.3 23.7 14.6 56.3 70 75 A S H <> S+ 0 0 1 -3,-1.7 4,-1.7 2,-0.2 3,-0.4 0.971 105.2 44.1 -61.9 -56.0 25.7 11.5 55.3 71 76 A H H X S+ 0 0 0 -4,-0.8 4,-1.5 1,-0.2 -2,-0.2 0.904 112.4 55.4 -55.0 -41.5 22.8 9.2 55.9 72 77 A A H X S+ 0 0 6 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.868 103.6 54.8 -62.4 -36.9 20.6 11.7 54.1 73 78 A F H X S+ 0 0 0 -4,-1.7 4,-3.0 -3,-0.4 -1,-0.2 0.917 102.3 53.7 -67.8 -43.5 22.8 11.7 51.0 74 79 A a H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.904 111.8 46.8 -58.2 -40.2 22.7 7.9 50.4 75 80 A Q H X S+ 0 0 4 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.913 112.3 50.2 -65.6 -41.5 18.9 8.1 50.4 76 81 A W H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.908 108.3 53.3 -63.4 -42.3 18.9 11.1 48.1 77 82 A F H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.896 106.2 52.6 -59.2 -43.3 21.2 9.3 45.7 78 83 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.904 109.1 48.5 -65.5 -41.1 18.9 6.3 45.4 79 84 A R H X S+ 0 0 65 -4,-1.8 4,-2.6 1,-0.2 5,-0.3 0.939 110.0 51.6 -62.6 -46.2 15.9 8.4 44.6 80 85 A E H X S+ 0 0 38 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.904 109.9 52.1 -56.7 -40.2 17.8 10.3 41.9 81 86 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.956 114.5 38.5 -60.8 -53.1 18.9 7.0 40.4 82 87 A V H < S+ 0 0 18 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.786 118.5 48.1 -75.4 -26.4 15.5 5.5 40.1 83 88 A L H < S+ 0 0 109 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.854 118.2 37.8 -80.7 -34.7 13.7 8.6 39.1 84 89 A T H >X S+ 0 0 33 -4,-2.1 4,-2.6 -5,-0.3 3,-2.1 0.566 83.6 117.3 -97.9 -8.8 16.1 9.7 36.4 85 90 A Y T 3< S+ 0 0 51 -4,-1.3 4,-0.1 1,-0.3 7,-0.0 -0.396 85.4 16.7 -59.5 130.2 17.0 6.3 34.9 86 91 A G T 34 S+ 0 0 49 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.197 127.2 56.9 93.0 -16.4 15.9 6.2 31.3 87 92 A Y T <4 S+ 0 0 211 -3,-2.1 2,-0.6 1,-0.3 -2,-0.2 0.770 95.8 56.2-112.8 -48.6 15.5 10.0 31.1 88 93 A E S X S- 0 0 54 -4,-2.6 4,-2.3 1,-0.1 -2,-0.4 -0.807 77.1-145.0 -91.0 121.4 18.9 11.4 32.0 89 94 A S H > S+ 0 0 83 -2,-0.6 4,-2.0 1,-0.2 5,-0.2 0.802 91.9 50.3 -62.3 -34.5 21.5 9.9 29.7 90 95 A H H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.963 113.2 43.0 -70.5 -51.1 24.4 9.7 32.1 91 96 A M H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.877 112.9 55.4 -61.8 -36.7 22.5 8.0 34.9 92 97 A T H X S+ 0 0 25 -4,-2.3 4,-1.6 -8,-0.2 -1,-0.2 0.942 111.7 42.3 -60.8 -46.9 20.9 5.7 32.4 93 98 A E H X S+ 0 0 85 -4,-2.0 4,-2.2 -5,-0.2 5,-0.3 0.886 112.2 56.2 -67.0 -38.4 24.4 4.6 31.1 94 99 A F H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.951 112.1 40.2 -56.2 -52.4 25.7 4.4 34.6 95 100 A L H < S+ 0 0 0 -4,-2.6 -46,-2.5 1,-0.2 -1,-0.2 0.744 114.4 53.4 -75.9 -23.3 23.1 1.9 35.8 96 101 A N H < S+ 0 0 76 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.882 119.3 33.9 -72.1 -38.5 23.1 -0.0 32.5 97 102 A K H < S+ 0 0 96 -4,-2.2 2,-0.3 -5,-0.1 -2,-0.2 0.777 125.7 14.8 -92.4 -31.1 26.9 -0.5 32.7 98 103 A L < - 0 0 4 -4,-2.7 2,-0.4 -5,-0.3 -49,-0.4 -0.866 65.1-119.9-138.0 170.8 27.6 -0.8 36.4 99 104 A D E - c 0 56A 10 -44,-2.0 -42,-2.6 -2,-0.3 2,-0.6 -0.920 16.5-144.8-108.3 141.8 26.0 -1.4 39.8 100 105 A F E -Bc 47 57A 2 -53,-3.0 -53,-3.1 -2,-0.4 2,-0.8 -0.948 10.1-152.8 -95.9 121.2 26.2 1.1 42.7 101 106 A Y E -Bc 46 58A 23 -44,-3.2 -42,-3.3 -2,-0.6 2,-0.6 -0.878 18.6-170.7 -88.9 110.7 26.4 -0.8 46.0 102 107 A V E -Bc 45 59A 0 -57,-3.1 -57,-3.2 -2,-0.8 -42,-0.2 -0.921 15.2-170.6-109.1 119.7 24.8 1.7 48.4 103 108 A L E - c 0 60A 0 -44,-2.6 -42,-2.4 -2,-0.6 3,-0.2 -0.880 8.4-167.0-107.9 97.8 25.1 1.0 52.1 104 109 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.834 71.1 10.6 -63.6 -39.0 22.7 3.6 53.5 105 110 A V + 0 0 1 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.920 55.7 171.7-142.7 115.9 23.7 3.4 57.2 106 111 A L S S+ 0 0 0 -45,-1.6 2,-1.6 -2,-0.3 3,-0.3 0.941 81.6 47.6 -81.8 -56.0 26.7 1.4 58.5 107 112 A N > + 0 0 0 -45,-2.1 4,-1.9 1,-0.2 -1,-0.2 -0.560 67.4 156.0 -90.1 73.8 26.8 2.4 62.1 108 113 A I H > + 0 0 0 -2,-1.6 4,-2.8 -3,-0.3 5,-0.2 0.893 67.8 55.4 -68.6 -41.9 23.1 1.9 62.8 109 114 A D H > S+ 0 0 3 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.902 111.1 44.5 -61.0 -44.0 23.4 1.4 66.6 110 115 A G H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.891 111.2 54.2 -66.8 -39.7 25.2 4.7 67.0 111 116 A Y H X S+ 0 0 1 -4,-1.9 4,-0.9 1,-0.2 3,-0.4 0.925 106.9 50.5 -61.4 -44.6 22.7 6.5 64.7 112 117 A I H >X S+ 0 0 34 -4,-2.8 4,-2.0 1,-0.2 3,-1.0 0.912 107.4 56.0 -58.5 -39.7 19.8 5.3 66.8 113 118 A Y H 3X>S+ 0 0 26 -4,-1.7 4,-2.7 1,-0.3 5,-2.3 0.827 100.4 57.0 -64.4 -31.0 21.6 6.6 69.8 114 119 A T H 3<5S+ 0 0 7 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.722 112.2 43.7 -72.9 -18.1 21.9 10.1 68.3 115 120 A W H <<5S+ 0 0 99 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.794 123.9 32.7 -89.1 -34.2 18.1 10.0 68.0 116 121 A T H <5S- 0 0 88 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.778 136.3 -5.2 -96.5 -30.7 17.3 8.6 71.5 117 122 A K T <5S+ 0 0 85 -4,-2.7 2,-0.4 -5,-0.2 -3,-0.2 0.692 121.0 21.3-134.4 -53.6 20.0 9.9 73.8 118 123 A N > < - 0 0 26 -5,-2.3 3,-1.7 1,-0.1 -1,-0.1 -0.905 45.8-162.4-142.4 110.3 23.0 11.9 72.5 119 124 A R T 3 S+ 0 0 55 -2,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.723 92.1 54.8 -62.5 -24.5 23.0 13.8 69.2 120 125 A M T 3 S+ 0 0 82 -53,-0.0 -1,-0.3 156,-0.0 -54,-0.2 0.232 73.7 132.1-100.7 13.3 26.8 14.1 69.2 121 126 A W < + 0 0 15 -3,-1.7 -55,-0.9 1,-0.1 -7,-0.1 -0.388 25.2 173.2 -63.9 145.2 27.6 10.4 69.5 122 127 A R + 0 0 16 -57,-0.2 -57,-1.4 2,-0.1 -1,-0.1 0.708 47.8 65.5-120.8 -43.8 30.2 9.2 67.0 123 128 A K S S- 0 0 2 1,-0.2 14,-0.2 -59,-0.2 -58,-0.2 0.039 85.8 -87.5 -82.4-177.8 31.2 5.7 67.7 124 129 A T - 0 0 0 12,-2.3 -1,-0.2 -14,-0.1 -2,-0.1 -0.098 37.0-119.8 -70.8-174.9 29.5 2.3 67.6 125 130 A R + 0 0 44 10,-0.1 2,-0.1 9,-0.0 -1,-0.1 0.020 61.6 134.8-120.9 28.1 27.6 1.1 70.7 126 131 A S - 0 0 4 10,-0.1 9,-3.0 1,-0.1 2,-0.1 -0.413 55.9-112.7 -76.4 152.6 29.5 -2.1 71.5 127 132 A T - 0 0 93 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.445 24.8-142.3 -80.2 159.7 30.5 -2.9 75.0 128 133 A N > - 0 0 24 5,-0.5 3,-1.4 3,-0.5 5,-0.1 -0.985 21.3-108.4-127.7 135.1 34.2 -3.0 76.1 129 134 A A T 3 S+ 0 0 105 -2,-0.4 3,-0.1 1,-0.2 4,-0.1 -0.318 98.1 10.3 -61.9 136.1 35.8 -5.4 78.5 130 135 A G T 3 S+ 0 0 93 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.556 117.8 68.7 79.0 8.7 36.8 -4.1 81.9 131 136 A T S < S- 0 0 38 -3,-1.4 -3,-0.5 2,-0.1 -1,-0.1 -0.990 71.6-132.8-153.9 157.7 35.1 -0.7 81.5 132 137 A T S S+ 0 0 56 206,-0.5 207,-0.1 -2,-0.3 2,-0.1 0.555 73.3 115.7 -84.6 -10.0 31.7 1.0 81.3 133 138 A b - 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