==== 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 2PJB . COMPND 2 MOLECULE: CARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.ADLER,M.WHITLOW . 913 3 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34570.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 629 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 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 . 56 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 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 4 2 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 . 2 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 0 113 0, 0.0 2,-0.2 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 158.1 6.7 8.8 57.3 2 7 A H - 0 0 54 10,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.547 360.0-179.0 -81.7 142.3 9.9 9.2 55.1 3 8 A S > - 0 0 39 3,-0.2 3,-1.0 -2,-0.2 5,-0.0 -0.989 26.3-150.2-139.5 135.1 11.0 12.5 53.6 4 9 A Y T 3 S+ 0 0 41 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.638 101.5 51.3 -74.6 -13.8 14.1 13.1 51.5 5 10 A E T 3 S+ 0 0 100 277,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.165 106.2 59.1-112.1 17.5 14.3 16.6 52.8 6 11 A K S < S- 0 0 101 -3,-1.0 2,-0.4 276,-0.1 -3,-0.2 -0.947 91.8-101.9-131.1 160.4 14.2 15.7 56.5 7 12 A Y - 0 0 17 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 -0.710 42.1-151.0 -79.4 131.4 16.4 13.6 58.7 8 13 A N - 0 0 11 -2,-0.4 -6,-0.1 -4,-0.1 63,-0.0 -0.827 9.4-122.3-109.1 141.2 14.7 10.2 59.2 9 14 A N > - 0 0 49 -2,-0.4 4,-2.5 1,-0.1 3,-0.3 -0.269 36.9 -99.9 -74.1 168.5 15.1 7.9 62.2 10 15 A W H > S+ 0 0 11 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.892 121.2 57.3 -61.1 -41.6 16.3 4.3 61.6 11 16 A E H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 112.7 43.0 -53.6 -42.7 12.8 2.8 61.8 12 17 A T H > S+ 0 0 27 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.897 113.4 49.9 -71.7 -43.4 11.8 5.1 59.0 13 18 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.923 111.6 50.3 -61.3 -43.1 15.0 4.6 56.9 14 19 A E H X S+ 0 0 59 -4,-3.5 4,-1.5 2,-0.2 -2,-0.2 0.944 110.5 48.0 -59.0 -48.3 14.6 0.8 57.3 15 20 A A H X S+ 0 0 59 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.888 110.5 54.7 -61.4 -37.3 10.9 1.0 56.1 16 21 A W H X S+ 0 0 11 -4,-2.4 4,-3.3 2,-0.2 5,-0.4 0.894 101.3 56.1 -60.9 -43.6 12.2 3.2 53.2 17 22 A T H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.877 112.6 43.5 -60.3 -35.6 14.7 0.6 52.1 18 23 A K H X S+ 0 0 113 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.923 117.4 44.8 -72.5 -45.5 11.9 -1.9 51.8 19 24 A Q H X S+ 0 0 103 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.936 112.3 48.7 -67.5 -47.7 9.5 0.5 50.1 20 25 A V H X S+ 0 0 4 -4,-3.3 4,-0.7 1,-0.2 -1,-0.2 0.869 114.3 48.2 -64.9 -34.1 11.9 2.0 47.6 21 26 A T H >< S+ 0 0 22 -4,-1.1 3,-0.7 -5,-0.4 7,-0.3 0.918 110.8 50.1 -68.6 -45.1 13.0 -1.5 46.6 22 27 A S H 3< S+ 0 0 72 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.847 112.8 48.2 -60.4 -34.4 9.4 -2.7 46.3 23 28 A E H 3< S+ 0 0 117 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.630 123.0 31.7 -82.8 -14.9 8.7 0.3 44.1 24 29 A N XX + 0 0 32 -4,-0.7 3,-2.1 -3,-0.7 4,-2.1 -0.325 64.7 149.6-139.8 54.4 11.7 -0.1 41.9 25 30 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.677 75.0 59.8 -66.4 -16.6 12.4 -3.9 41.6 26 31 A D T 34 S+ 0 0 91 1,-0.1 3,-0.1 -3,-0.1 -5,-0.0 0.363 119.9 26.2 -90.8 5.2 13.9 -3.4 38.1 27 32 A L T <4 S+ 0 0 7 -3,-2.1 21,-3.0 1,-0.3 2,-0.4 0.456 121.0 45.8-137.3 -15.3 16.5 -1.0 39.5 28 33 A I E < -A 47 0A 5 -4,-2.1 2,-0.4 -7,-0.3 -1,-0.3 -0.998 47.5-178.4-138.8 135.4 17.1 -2.0 43.1 29 34 A S E -A 46 0A 55 17,-1.3 17,-3.0 -2,-0.4 2,-0.5 -0.997 19.1-146.2-126.2 141.3 17.6 -5.1 45.2 30 35 A R E +A 45 0A 70 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.888 22.4 166.0-107.9 130.8 17.9 -5.1 48.9 31 36 A T E -A 44 0A 71 13,-2.4 13,-2.9 -2,-0.5 2,-0.5 -0.896 32.0-126.4-128.9 165.7 20.1 -7.5 50.9 32 37 A A E -A 43 0A 60 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.965 14.4-169.7-109.9 131.1 21.4 -7.5 54.5 33 38 A I E - 0 0 32 9,-2.6 2,-0.3 -2,-0.5 10,-0.1 0.343 64.0 -44.8-101.9 6.8 25.2 -7.9 54.9 34 39 A G E - 0 0 27 8,-0.4 8,-2.7 5,-0.0 2,-0.3 -0.921 61.3 -82.2 157.2 179.9 25.1 -8.5 58.6 35 40 A T E -A 41 0A 57 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.887 35.9-124.0-114.0 149.7 23.7 -7.4 62.0 36 41 A T > - 0 0 0 4,-2.4 3,-1.9 -2,-0.3 71,-0.1 -0.242 41.3 -90.7 -78.0 175.9 24.9 -4.6 64.2 37 42 A F T 3 S+ 0 0 86 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.874 130.8 45.3 -56.5 -38.1 26.0 -5.1 67.8 38 43 A L T 3 S- 0 0 102 88,-0.0 -1,-0.3 2,-0.0 88,-0.0 0.197 125.3-100.3 -95.5 15.0 22.4 -4.4 68.9 39 44 A G S < S+ 0 0 47 -3,-1.9 2,-0.2 1,-0.2 -2,-0.1 0.678 70.2 146.8 83.2 18.1 20.9 -6.6 66.2 40 45 A N - 0 0 38 1,-0.1 -4,-2.4 2,-0.0 2,-0.5 -0.571 53.5-105.7 -83.0 154.8 19.8 -4.1 63.6 41 46 A N E -A 35 0A 61 -6,-0.2 2,-1.3 -2,-0.2 -6,-0.2 -0.706 19.7-142.4 -89.8 123.8 20.0 -5.1 60.0 42 47 A I E - 0 0 0 -8,-2.7 -9,-2.6 -2,-0.5 -8,-0.4 -0.678 27.6-158.3 -86.1 93.4 22.8 -3.7 57.9 43 48 A Y E -A 32 0A 15 -2,-1.3 2,-0.4 -11,-0.2 62,-0.4 -0.429 12.4-166.9 -77.3 145.1 21.0 -3.1 54.6 44 49 A L E -A 31 0A 1 -13,-2.9 -13,-2.4 59,-0.2 2,-0.6 -0.999 8.0-152.8-129.7 128.2 22.7 -2.8 51.3 45 50 A L E -AB 30 102A 0 57,-3.0 57,-3.1 -2,-0.4 2,-0.9 -0.895 3.6-152.9-103.8 123.5 20.9 -1.6 48.2 46 51 A K E -AB 29 101A 74 -17,-3.0 -17,-1.3 -2,-0.6 2,-0.6 -0.842 19.4-167.7 -93.9 105.6 22.2 -2.7 44.8 47 52 A V E +AB 28 100A 0 53,-3.2 53,-2.9 -2,-0.9 2,-0.2 -0.850 37.5 75.2-104.3 120.0 21.2 0.1 42.5 48 53 A G S S- 0 0 3 -21,-3.0 48,-0.2 -2,-0.6 51,-0.1 -0.855 86.0 -67.3 159.0 163.5 21.4 -0.5 38.7 49 54 A K - 0 0 54 46,-2.4 -22,-0.1 49,-0.4 -23,-0.1 -0.705 66.2-111.5 -79.1 116.1 19.8 -2.2 35.7 50 55 A P + 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 -0.094 57.5 132.9 -57.0 143.5 20.3 -5.9 36.4 51 56 A G - 0 0 38 3,-0.0 3,-0.5 -3,-0.0 2,-0.2 -0.945 52.1 -84.3-177.0 163.2 22.7 -7.9 34.3 52 57 A P S S+ 0 0 110 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.497 99.3 10.7 -80.5 150.0 25.6 -10.4 34.4 53 58 A N S S+ 0 0 165 1,-0.2 0, 0.0 -2,-0.2 0, 0.0 0.852 82.0 166.6 59.4 41.2 29.3 -9.5 34.9 54 59 A K - 0 0 27 -3,-0.5 -1,-0.2 1,-0.0 44,-0.2 -0.724 33.3-130.7 -90.9 136.5 28.7 -5.9 35.9 55 60 A P - 0 0 27 0, 0.0 44,-1.9 0, 0.0 2,-0.3 -0.269 32.5-154.9 -68.1 171.2 31.4 -3.7 37.4 56 61 A A E -cd 99 185A 1 128,-2.6 130,-3.0 42,-0.2 131,-0.7 -0.973 21.2-142.4-151.1 158.1 30.4 -1.7 40.5 57 62 A I E -cd 100 187A 1 42,-2.7 44,-3.0 -2,-0.3 2,-0.5 -0.995 21.2-147.1-123.0 135.0 30.9 1.3 42.7 58 63 A F E +cd 101 188A 0 129,-2.8 131,-3.0 -2,-0.4 2,-0.4 -0.889 20.0 173.5-106.4 127.8 30.6 1.0 46.5 59 64 A M E -cd 102 189A 2 42,-3.1 44,-2.9 -2,-0.5 2,-0.3 -0.997 5.2-175.0-132.9 130.8 29.3 3.9 48.6 60 65 A D E -cd 103 190A 0 129,-2.1 131,-2.7 -2,-0.4 2,-0.3 -0.903 2.5-171.1-120.8 154.1 28.5 4.0 52.3 61 66 A a E + d 0 191A 0 42,-2.4 45,-1.7 -2,-0.3 46,-0.2 -0.861 60.0 43.9-127.5 166.0 27.0 6.6 54.5 62 67 A G + 0 0 0 129,-0.5 45,-2.0 -2,-0.3 49,-0.2 0.751 53.6 140.7 75.0 26.1 26.5 6.9 58.3 63 68 A F S S+ 0 0 0 128,-0.6 2,-0.5 43,-0.2 47,-0.1 0.955 75.9 46.0 -57.3 -49.9 29.9 5.7 59.5 64 69 A H S > S- 0 0 4 1,-0.1 3,-1.7 3,-0.1 -1,-0.2 -0.870 84.4-141.8-105.5 125.6 29.7 8.4 62.2 65 70 A A T 3 S+ 0 0 0 57,-1.6 57,-0.2 -2,-0.5 -1,-0.1 0.775 94.7 49.5 -59.7 -37.6 26.4 8.6 64.0 66 71 A R T 3 S+ 0 0 35 55,-0.8 2,-1.9 1,-0.2 -1,-0.3 0.540 83.8 92.4 -83.8 -6.8 26.1 12.4 64.4 67 72 A E X> + 0 0 5 -3,-1.7 3,-2.0 1,-0.2 4,-0.8 -0.432 51.0 166.4 -87.2 67.0 26.9 13.2 60.7 68 73 A W H 3> + 0 0 26 -2,-1.9 4,-2.1 207,-0.4 -1,-0.2 0.733 65.0 64.0 -61.2 -29.5 23.2 13.2 59.7 69 74 A I H 3> S+ 0 0 1 206,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.779 97.0 61.2 -67.9 -22.7 23.7 14.8 56.3 70 75 A S H <> S+ 0 0 0 -3,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.963 105.6 43.9 -63.0 -53.5 25.7 11.7 55.3 71 76 A H H X S+ 0 0 0 -4,-0.8 4,-1.4 1,-0.2 -2,-0.2 0.909 112.3 55.2 -57.8 -42.5 22.7 9.3 55.9 72 77 A A H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.870 103.5 55.3 -60.5 -38.0 20.5 11.8 54.1 73 78 A F H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.921 101.9 54.0 -65.9 -44.1 22.7 11.8 51.0 74 79 A a H X S+ 0 0 0 -4,-1.6 4,-1.7 30,-0.2 -1,-0.2 0.904 111.5 47.0 -57.7 -40.2 22.6 8.1 50.4 75 80 A Q H X S+ 0 0 4 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.933 111.8 50.1 -65.8 -44.4 18.8 8.2 50.4 76 81 A W H X S+ 0 0 10 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.884 108.3 54.0 -59.4 -40.9 18.8 11.2 48.1 77 82 A F H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.902 105.7 52.2 -61.6 -44.0 21.2 9.4 45.7 78 83 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.931 109.9 48.3 -62.4 -46.0 18.9 6.4 45.4 79 84 A R H X S+ 0 0 65 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.927 110.4 50.9 -59.5 -46.0 15.9 8.5 44.5 80 85 A E H X S+ 0 0 40 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.916 110.3 51.4 -58.2 -42.7 17.8 10.5 41.9 81 86 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.950 115.3 39.3 -58.2 -52.9 19.0 7.2 40.4 82 87 A V H < S+ 0 0 17 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.869 117.4 48.2 -71.3 -36.7 15.5 5.6 40.1 83 88 A L H < S+ 0 0 110 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.860 118.1 38.8 -72.6 -34.7 13.7 8.8 39.1 84 89 A T H >X S+ 0 0 34 -4,-2.1 4,-2.5 -5,-0.3 3,-2.3 0.578 82.5 118.7 -95.7 -10.9 16.1 9.8 36.3 85 90 A Y T 3< S+ 0 0 50 -4,-1.2 4,-0.1 1,-0.3 7,-0.1 -0.356 84.7 16.5 -58.4 129.2 16.9 6.4 34.9 86 91 A G T 34 S+ 0 0 50 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.191 127.2 56.8 93.8 -16.8 15.8 6.3 31.2 87 92 A Y T <4 S+ 0 0 212 -3,-2.3 2,-0.6 1,-0.3 -2,-0.2 0.772 95.1 56.8-113.3 -48.1 15.5 10.1 31.0 88 93 A E S X S- 0 0 53 -4,-2.5 4,-2.2 1,-0.1 -2,-0.4 -0.810 77.0-144.8 -90.9 121.1 18.9 11.6 32.0 89 94 A S H > S+ 0 0 84 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.833 91.9 50.2 -59.8 -39.4 21.5 10.1 29.6 90 95 A H H > S+ 0 0 87 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.955 113.3 42.6 -66.1 -50.9 24.4 9.9 32.1 91 96 A M H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 112.7 55.6 -66.4 -32.4 22.5 8.1 34.9 92 97 A T H X S+ 0 0 26 -4,-2.2 4,-1.6 -8,-0.2 -1,-0.2 0.941 111.5 43.2 -63.5 -45.2 20.9 5.8 32.4 93 98 A E H X S+ 0 0 94 -4,-2.2 4,-2.2 -5,-0.2 5,-0.3 0.890 112.0 54.9 -66.8 -39.7 24.3 4.8 31.1 94 99 A F H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.948 112.6 40.7 -57.7 -51.2 25.7 4.5 34.7 95 100 A L H < S+ 0 0 0 -4,-2.5 -46,-2.4 1,-0.2 -1,-0.2 0.749 114.3 53.4 -75.6 -24.2 23.0 2.1 35.8 96 101 A N H < S+ 0 0 79 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.895 118.9 33.9 -70.2 -40.0 23.1 0.2 32.5 97 102 A K H < S+ 0 0 95 -4,-2.2 2,-0.3 -5,-0.1 -2,-0.2 0.770 125.7 13.5 -93.1 -28.6 26.8 -0.4 32.7 98 103 A L < - 0 0 4 -4,-2.6 2,-0.4 -5,-0.3 -49,-0.4 -0.886 65.1-117.6-141.3 171.8 27.5 -0.8 36.4 99 104 A D E - c 0 56A 6 -44,-1.9 -42,-2.7 -2,-0.3 2,-0.7 -0.925 15.7-146.1-110.1 138.7 25.9 -1.3 39.9 100 105 A F E -Bc 47 57A 3 -53,-2.9 -53,-3.2 -2,-0.4 2,-0.8 -0.936 10.0-153.8 -95.5 117.1 26.1 1.2 42.8 101 106 A Y E -Bc 46 58A 22 -44,-3.0 -42,-3.1 -2,-0.7 2,-0.6 -0.846 18.0-169.0 -84.4 111.2 26.2 -0.7 46.0 102 107 A V E -Bc 45 59A 0 -57,-3.1 -57,-3.0 -2,-0.8 -42,-0.2 -0.916 15.5-170.7-109.2 117.8 24.7 1.8 48.4 103 108 A L E - c 0 60A 0 -44,-2.9 -42,-2.4 -2,-0.6 3,-0.2 -0.872 8.1-169.1-106.2 97.9 25.0 1.2 52.1 104 109 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.809 71.2 12.3 -67.0 -35.6 22.7 3.9 53.6 105 110 A V + 0 0 1 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.893 56.5 171.2-143.6 115.1 23.6 3.5 57.2 106 111 A L S S+ 0 0 0 -45,-1.7 2,-1.6 -2,-0.3 3,-0.2 0.946 81.6 46.7 -82.5 -55.3 26.6 1.5 58.5 107 112 A N > + 0 0 0 -45,-2.0 4,-1.9 1,-0.2 -1,-0.2 -0.569 68.0 156.9 -90.2 74.6 26.7 2.5 62.1 108 113 A I H > + 0 0 0 -2,-1.6 4,-2.7 -3,-0.3 5,-0.2 0.877 68.3 55.1 -70.3 -38.9 22.9 2.1 62.8 109 114 A D H > S+ 0 0 3 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.913 111.1 45.5 -63.1 -43.1 23.2 1.6 66.6 110 115 A G H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.912 110.9 53.8 -64.5 -41.6 25.1 4.9 66.9 111 116 A Y H X S+ 0 0 1 -4,-1.9 4,-0.9 1,-0.2 3,-0.3 0.925 107.4 50.1 -60.6 -45.9 22.6 6.6 64.7 112 117 A I H >X S+ 0 0 50 -4,-2.7 4,-2.0 1,-0.2 3,-0.9 0.904 107.4 55.7 -58.7 -39.6 19.7 5.4 66.8 113 118 A Y H 3X>S+ 0 0 27 -4,-1.7 4,-2.5 1,-0.3 5,-2.5 0.838 100.9 57.2 -65.0 -32.0 21.5 6.7 69.9 114 119 A T H 3<5S+ 0 0 7 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.737 112.2 43.5 -70.6 -19.8 21.8 10.2 68.3 115 120 A W H <<5S+ 0 0 99 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.2 0.800 123.5 33.2 -88.0 -33.7 18.0 10.2 68.0 116 121 A T H <5S- 0 0 90 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.739 136.6 -7.0 -97.7 -26.4 17.1 8.7 71.5 117 122 A K T <5S+ 0 0 69 -4,-2.5 2,-0.4 -5,-0.2 -3,-0.2 0.647 121.3 25.2-139.7 -52.2 19.8 10.1 73.8 118 123 A N > < - 0 0 26 -5,-2.5 3,-1.9 1,-0.1 -2,-0.1 -0.883 45.5-165.1-141.7 105.0 22.8 12.0 72.5 119 124 A R T 3 S+ 0 0 54 -2,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.698 92.4 53.9 -61.9 -21.5 22.8 14.0 69.2 120 125 A M T 3 S+ 0 0 82 -53,-0.0 -1,-0.3 156,-0.0 -54,-0.2 0.247 75.1 131.2-101.7 11.4 26.6 14.2 69.3 121 126 A W < + 0 0 14 -3,-1.9 -55,-0.8 1,-0.1 -7,-0.1 -0.339 25.5 172.2 -62.5 149.1 27.4 10.5 69.6 122 127 A R + 0 0 26 -57,-0.2 -57,-1.6 2,-0.1 -1,-0.1 0.681 46.7 65.3-125.3 -45.8 30.0 9.3 67.1 123 128 A K S S- 0 0 1 1,-0.2 14,-0.2 -59,-0.2 -58,-0.2 0.048 86.2 -86.9 -80.8-177.1 31.0 5.7 67.8 124 129 A T - 0 0 0 12,-2.2 -1,-0.2 -14,-0.1 -2,-0.1 -0.054 36.9-119.3 -71.2-171.3 29.3 2.4 67.6 125 130 A R + 0 0 41 10,-0.1 2,-0.1 2,-0.0 -1,-0.0 -0.007 62.0 134.4-124.8 28.0 27.4 1.2 70.7 126 131 A S - 0 0 5 10,-0.1 9,-3.0 1,-0.1 2,-0.1 -0.480 55.6-115.5 -78.2 149.6 29.3 -2.0 71.5 127 132 A T B -H 134 0B 92 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.417 22.9-142.9 -79.5 161.0 30.3 -2.8 75.1 128 133 A N > - 0 0 21 5,-0.5 3,-1.4 3,-0.5 5,-0.1 -0.991 21.2-110.2-129.7 133.4 34.0 -3.0 76.1 129 134 A A T 3 S+ 0 0 106 -2,-0.4 3,-0.1 1,-0.2 4,-0.1 -0.286 98.4 15.6 -62.6 141.8 35.4 -5.5 78.6 130 135 A G T 3 S+ 0 0 93 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.509 117.8 67.3 79.4 3.9 36.6 -4.0 81.9 131 136 A T S < S- 0 0 39 -3,-1.4 -3,-0.5 2,-0.1 -1,-0.1 -0.987 70.4-135.3-151.4 159.6 34.9 -0.7 81.5 132 137 A T S S+ 0 0 56 206,-0.4 207,-0.1 -2,-0.3 -1,-0.1 0.540 73.4 114.8 -86.7 -10.2 31.5 1.0 81.4 133 138 A b - 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