==== 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 2PJ5 . 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) . 34458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 625 68.5 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 0 113 0, 0.0 2,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 163.9 6.8 8.9 57.5 2 7 A H - 0 0 51 10,-0.1 2,-0.4 6,-0.1 5,-0.1 -0.627 360.0-179.9 -87.3 140.7 10.0 9.3 55.3 3 8 A S > - 0 0 41 -2,-0.3 3,-1.0 3,-0.2 5,-0.0 -0.993 26.4-150.1-137.6 136.7 11.1 12.6 53.8 4 9 A Y T 3 S+ 0 0 42 -2,-0.4 72,-0.1 1,-0.2 -1,-0.1 0.655 101.5 51.1 -75.8 -15.8 14.2 13.2 51.6 5 10 A E T 3 S+ 0 0 94 277,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.103 107.0 61.2-108.6 22.2 14.5 16.7 53.0 6 11 A K S < S- 0 0 100 -3,-1.0 2,-0.4 276,-0.1 -3,-0.2 -0.958 91.0-103.6-133.9 158.8 14.4 15.7 56.7 7 12 A Y - 0 0 16 -2,-0.3 2,-0.4 -5,-0.1 62,-0.1 -0.714 41.5-152.1 -79.3 130.5 16.6 13.6 58.8 8 13 A N - 0 0 10 -2,-0.4 -6,-0.1 60,-0.2 63,-0.0 -0.831 9.8-121.7-108.5 142.5 14.8 10.2 59.3 9 14 A N > - 0 0 38 -2,-0.4 4,-2.6 1,-0.1 3,-0.3 -0.246 36.4 -99.1 -75.7 170.2 15.2 7.9 62.3 10 15 A W H > S+ 0 0 5 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.895 121.6 56.1 -61.1 -41.8 16.4 4.3 61.8 11 16 A E H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 112.8 44.1 -56.6 -40.7 12.9 2.7 61.9 12 17 A T H > S+ 0 0 30 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.903 113.1 49.2 -71.2 -43.0 11.9 5.1 59.1 13 18 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.927 111.8 50.6 -61.9 -43.3 15.1 4.5 57.0 14 19 A E H X S+ 0 0 59 -4,-3.5 4,-1.5 2,-0.2 -2,-0.2 0.935 110.8 47.2 -58.4 -48.3 14.6 0.8 57.4 15 20 A A H X S+ 0 0 58 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.866 110.7 55.0 -63.0 -34.5 11.0 1.0 56.2 16 21 A W H X S+ 0 0 7 -4,-2.2 4,-3.1 2,-0.2 5,-0.4 0.889 101.7 55.5 -64.7 -40.5 12.3 3.1 53.4 17 22 A T H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.876 112.6 44.0 -62.4 -34.6 14.8 0.5 52.2 18 23 A K H X S+ 0 0 113 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.923 116.8 45.5 -72.7 -44.8 12.0 -2.0 52.0 19 24 A Q H X S+ 0 0 109 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.920 112.1 48.0 -67.7 -45.6 9.6 0.5 50.2 20 25 A V H X S+ 0 0 4 -4,-3.1 4,-0.6 1,-0.2 -1,-0.2 0.852 115.2 47.5 -69.6 -31.1 12.0 1.9 47.7 21 26 A T H >< S+ 0 0 21 -4,-1.0 3,-0.8 -5,-0.4 7,-0.3 0.929 111.3 50.0 -70.2 -46.9 13.1 -1.6 46.7 22 27 A S H 3< S+ 0 0 74 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.853 113.6 46.8 -59.3 -35.6 9.5 -2.9 46.5 23 28 A E H 3< S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.598 122.3 34.2 -84.3 -13.2 8.6 0.1 44.3 24 29 A N XX + 0 0 32 -3,-0.8 4,-2.3 -4,-0.6 3,-2.2 -0.322 63.9 151.0-138.8 54.5 11.7 -0.2 42.0 25 30 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.683 74.9 59.3 -64.6 -17.4 12.5 -4.0 41.7 26 31 A D T 34 S+ 0 0 91 1,-0.1 3,-0.1 -3,-0.1 -5,-0.0 0.417 119.9 26.2 -90.8 2.4 13.9 -3.4 38.3 27 32 A L T <4 S+ 0 0 8 -3,-2.2 21,-2.8 1,-0.3 2,-0.4 0.484 120.5 47.8-134.5 -19.7 16.5 -1.0 39.6 28 33 A I E < -A 47 0A 3 -4,-2.3 2,-0.4 -7,-0.3 -1,-0.3 -0.993 47.7-179.0-135.2 133.5 17.0 -2.0 43.3 29 34 A S E -A 46 0A 65 17,-1.5 17,-3.0 -2,-0.4 2,-0.4 -0.985 19.1-147.5-121.5 143.8 17.6 -5.2 45.2 30 35 A R E +A 45 0A 71 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.919 21.7 165.6-113.3 132.5 18.0 -5.2 49.0 31 36 A T E -A 44 0A 72 13,-2.4 13,-2.9 -2,-0.4 2,-0.5 -0.921 31.8-127.4-132.7 163.1 20.1 -7.5 51.1 32 37 A A E -A 43 0A 59 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.959 14.4-170.2-108.7 132.0 21.4 -7.6 54.7 33 38 A I E - 0 0 32 9,-2.7 2,-0.3 -2,-0.5 10,-0.1 0.350 63.5 -45.4-103.5 6.2 25.1 -8.0 55.0 34 39 A G E - 0 0 28 8,-0.4 8,-2.7 5,-0.0 2,-0.3 -0.930 61.1 -83.7 157.0-178.6 25.1 -8.6 58.8 35 40 A T E -A 41 0A 54 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.886 35.5-122.0-117.0 152.0 23.7 -7.4 62.1 36 41 A T > - 0 0 1 4,-2.3 3,-1.8 -2,-0.3 71,-0.1 -0.274 40.7 -91.9 -79.6 175.0 25.0 -4.7 64.4 37 42 A F T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.881 130.4 45.6 -54.7 -38.5 26.0 -5.2 68.0 38 43 A L T 3 S- 0 0 102 88,-0.0 -1,-0.3 2,-0.0 88,-0.0 0.244 124.9-101.1 -96.3 12.2 22.5 -4.4 69.1 39 44 A G S < S+ 0 0 47 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.665 70.0 145.0 86.7 17.5 20.9 -6.6 66.4 40 45 A N - 0 0 39 1,-0.1 -4,-2.3 2,-0.0 2,-0.5 -0.574 54.4-104.9 -84.5 155.3 19.8 -4.1 63.8 41 46 A N E -A 35 0A 61 -6,-0.2 2,-1.2 -2,-0.2 -6,-0.2 -0.691 20.0-142.1 -89.7 125.6 20.0 -5.2 60.1 42 47 A I E - 0 0 0 -8,-2.7 -9,-2.7 -2,-0.5 -8,-0.4 -0.697 27.8-158.8 -87.2 95.5 22.8 -3.8 58.0 43 48 A Y E -A 32 0A 15 -2,-1.2 2,-0.4 -11,-0.2 62,-0.4 -0.433 13.0-167.4 -80.7 147.4 21.1 -3.2 54.7 44 49 A L E -A 31 0A 5 -13,-2.9 -13,-2.4 59,-0.2 2,-0.5 -0.998 7.9-153.9-131.4 128.4 22.8 -2.9 51.4 45 50 A L E -AB 30 102A 0 57,-3.2 57,-3.2 -2,-0.4 2,-0.8 -0.907 4.1-152.6-104.0 124.5 21.0 -1.7 48.3 46 51 A K E -AB 29 101A 99 -17,-3.0 -17,-1.5 -2,-0.5 2,-0.5 -0.866 19.1-168.1 -94.2 108.1 22.2 -2.8 44.9 47 52 A V E +AB 28 100A 0 53,-3.2 53,-3.1 -2,-0.8 2,-0.2 -0.869 37.3 76.9-105.1 122.0 21.2 -0.0 42.5 48 53 A G S S- 0 0 4 -21,-2.8 48,-0.2 -2,-0.5 51,-0.1 -0.851 85.8 -68.6 159.2 164.7 21.4 -0.6 38.8 49 54 A K - 0 0 55 46,-2.7 -22,-0.1 49,-0.4 -23,-0.1 -0.728 65.5-112.8 -80.8 115.6 19.8 -2.3 35.8 50 55 A P + 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 -0.117 56.2 133.6 -59.3 144.8 20.4 -6.0 36.5 51 56 A G > - 0 0 42 3,-0.0 3,-0.5 46,-0.0 2,-0.1 -0.954 55.0 -65.8-176.6 166.4 22.7 -8.0 34.3 52 57 A P T 3 S- 0 0 108 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.402 102.0 -13.1 -72.9 143.0 25.5 -10.6 34.4 53 58 A N T 3 S+ 0 0 159 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 0.819 79.6 174.2 27.0 68.9 29.0 -9.7 35.8 54 59 A K < - 0 0 22 -3,-0.5 44,-0.2 1,-0.1 -1,-0.1 -0.733 31.3-118.4 -90.3 145.6 28.6 -5.9 36.0 55 60 A P - 0 0 28 0, 0.0 44,-2.1 0, 0.0 2,-0.3 -0.313 36.7-151.6 -70.5 169.1 31.4 -3.8 37.6 56 61 A A E -cd 99 185A 1 128,-2.8 130,-3.2 42,-0.2 131,-0.7 -0.963 21.0-143.6-145.8 156.4 30.4 -1.8 40.7 57 62 A I E -cd 100 187A 0 42,-2.5 44,-2.9 -2,-0.3 2,-0.5 -0.994 23.8-146.1-118.0 131.9 31.0 1.2 42.8 58 63 A F E +cd 101 188A 0 129,-2.9 131,-3.0 -2,-0.4 2,-0.4 -0.859 20.6 175.1-101.2 128.6 30.6 0.9 46.6 59 64 A M E -cd 102 189A 2 42,-3.1 44,-2.8 -2,-0.5 2,-0.3 -0.993 4.6-175.1-132.9 128.8 29.3 3.8 48.6 60 65 A D E -cd 103 190A 0 129,-2.1 131,-2.7 -2,-0.4 2,-0.3 -0.899 3.1-171.1-119.3 154.1 28.5 3.9 52.3 61 66 A a E + d 0 191A 0 42,-2.3 45,-1.7 -2,-0.3 46,-0.2 -0.880 60.6 42.2-127.1 164.9 27.0 6.5 54.6 62 67 A G + 0 0 0 129,-0.5 45,-2.3 -2,-0.3 49,-0.2 0.772 53.5 141.4 73.3 27.6 26.6 6.7 58.4 63 68 A F S S+ 0 0 0 128,-0.6 2,-0.5 43,-0.2 47,-0.1 0.945 76.1 46.2 -56.2 -48.4 30.0 5.5 59.6 64 69 A H S > S- 0 0 5 1,-0.1 3,-1.5 3,-0.1 -1,-0.2 -0.878 83.5-141.3-108.7 129.0 29.7 8.2 62.3 65 70 A A T 3 S+ 0 0 0 57,-1.4 57,-0.2 -2,-0.5 -1,-0.1 0.806 95.3 48.0 -61.4 -40.3 26.5 8.5 64.1 66 71 A R T 3 S+ 0 0 35 55,-0.9 2,-1.9 1,-0.2 -1,-0.3 0.530 84.2 92.8 -82.0 -7.6 26.2 12.3 64.5 67 72 A E X> + 0 0 4 -3,-1.5 3,-1.8 1,-0.2 4,-0.8 -0.444 50.5 166.4 -87.8 66.9 27.0 13.0 60.8 68 73 A W H 3> + 0 0 27 -2,-1.9 4,-1.9 207,-0.5 -1,-0.2 0.725 65.0 63.9 -61.5 -28.2 23.3 13.1 59.8 69 74 A I H 3> S+ 0 0 1 206,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.788 97.2 60.9 -69.1 -23.9 23.8 14.7 56.4 70 75 A S H <> S+ 0 0 1 -3,-1.8 4,-1.6 2,-0.2 3,-0.3 0.971 105.4 44.8 -61.7 -54.3 25.8 11.6 55.4 71 76 A H H X S+ 0 0 0 -4,-0.8 4,-1.5 1,-0.2 -2,-0.2 0.905 111.9 54.6 -56.3 -41.8 22.8 9.3 56.0 72 77 A A H X S+ 0 0 7 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.863 103.7 55.9 -62.8 -35.9 20.6 11.8 54.2 73 78 A F H X S+ 0 0 0 -4,-1.8 4,-3.0 -3,-0.3 -1,-0.2 0.915 101.9 53.2 -67.2 -43.2 22.8 11.7 51.1 74 79 A a H X S+ 0 0 0 -4,-1.6 4,-1.8 30,-0.2 -1,-0.2 0.910 112.3 47.0 -58.9 -39.6 22.7 7.9 50.5 75 80 A Q H X S+ 0 0 3 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.937 112.2 49.7 -65.6 -45.3 18.9 8.2 50.6 76 81 A W H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.906 108.7 53.8 -57.7 -43.6 18.9 11.2 48.2 77 82 A F H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.908 106.1 51.7 -59.6 -44.6 21.2 9.3 45.9 78 83 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.914 110.0 48.5 -63.7 -42.2 18.9 6.3 45.6 79 84 A R H X S+ 0 0 64 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.933 110.2 51.7 -62.4 -43.7 15.9 8.5 44.7 80 85 A E H X S+ 0 0 42 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.919 109.6 51.2 -59.2 -42.8 17.9 10.4 42.1 81 86 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.953 115.2 39.5 -57.4 -53.5 19.0 7.1 40.5 82 87 A V H < S+ 0 0 20 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.843 117.3 48.9 -71.3 -33.2 15.5 5.6 40.3 83 88 A L H < S+ 0 0 105 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.865 118.2 36.7 -74.8 -36.2 13.7 8.8 39.2 84 89 A T H >X S+ 0 0 32 -4,-2.1 4,-2.5 -5,-0.3 3,-2.4 0.569 82.7 118.8 -98.6 -9.0 16.1 9.8 36.5 85 90 A Y T 3< S+ 0 0 52 -4,-1.4 4,-0.1 1,-0.3 7,-0.1 -0.370 86.1 15.9 -58.6 130.2 16.9 6.4 35.0 86 91 A G T 34 S+ 0 0 50 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.190 126.7 59.1 91.6 -16.6 15.8 6.4 31.4 87 92 A Y T <4 S+ 0 0 213 -3,-2.4 2,-0.5 1,-0.2 -2,-0.2 0.752 95.2 55.0-114.6 -39.3 15.5 10.2 31.3 88 93 A E S X S- 0 0 54 -4,-2.5 4,-2.2 1,-0.1 -2,-0.4 -0.895 76.5-142.9-101.2 125.1 18.9 11.6 32.1 89 94 A S H > S+ 0 0 84 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.847 93.3 48.8 -61.0 -40.6 21.6 10.1 29.8 90 95 A H H > S+ 0 0 82 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.961 113.5 43.7 -66.5 -52.1 24.4 9.8 32.3 91 96 A M H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.863 113.1 53.8 -62.8 -34.7 22.5 8.1 35.1 92 97 A T H X S+ 0 0 26 -4,-2.2 4,-1.7 -8,-0.2 -1,-0.2 0.946 111.9 44.3 -63.0 -47.4 20.9 5.8 32.5 93 98 A E H X S+ 0 0 64 -4,-2.3 4,-2.2 -5,-0.2 5,-0.3 0.912 112.8 53.5 -60.3 -44.4 24.3 4.9 31.2 94 99 A F H X S+ 0 0 2 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.943 112.1 42.0 -56.8 -52.2 25.7 4.5 34.7 95 100 A L H < S+ 0 0 0 -4,-2.7 -46,-2.7 1,-0.2 -1,-0.2 0.764 114.1 52.8 -72.8 -25.2 22.9 2.1 35.9 96 101 A N H < S+ 0 0 80 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.893 118.7 34.3 -71.0 -40.4 23.1 0.1 32.6 97 102 A K H < S+ 0 0 105 -4,-2.2 2,-0.3 -5,-0.2 -2,-0.2 0.790 125.2 13.2 -90.7 -31.7 26.8 -0.4 32.8 98 103 A L < - 0 0 3 -4,-2.7 2,-0.4 -5,-0.3 -49,-0.4 -0.868 64.8-119.4-139.5 170.8 27.5 -0.8 36.5 99 104 A D E - c 0 56A 11 -44,-2.1 -42,-2.5 -2,-0.3 2,-0.6 -0.897 15.5-143.2-108.1 144.8 25.9 -1.3 39.9 100 105 A F E -Bc 47 57A 3 -53,-3.1 -53,-3.2 -2,-0.4 2,-0.9 -0.953 9.6-153.2 -97.8 123.3 26.1 1.0 42.9 101 106 A Y E -Bc 46 58A 16 -44,-2.9 -42,-3.1 -2,-0.6 2,-0.6 -0.876 20.5-170.3 -90.9 106.0 26.3 -0.9 46.2 102 107 A V E -Bc 45 59A 1 -57,-3.2 -57,-3.2 -2,-0.9 -42,-0.2 -0.889 16.3-170.7-107.1 118.3 24.8 1.6 48.5 103 108 A L E - c 0 60A 0 -44,-2.8 -42,-2.3 -2,-0.6 3,-0.2 -0.878 8.2-167.3-106.1 99.4 25.0 1.0 52.3 104 109 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.819 71.3 10.7 -67.2 -35.5 22.7 3.7 53.7 105 110 A V + 0 0 1 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.896 55.8 172.7-144.3 115.2 23.7 3.4 57.3 106 111 A L S S+ 0 0 0 -45,-1.7 2,-1.6 -2,-0.3 3,-0.2 0.946 81.9 47.1 -80.9 -54.4 26.7 1.4 58.6 107 112 A N > + 0 0 0 -45,-2.3 4,-1.9 1,-0.2 -1,-0.2 -0.552 66.9 156.2 -92.5 72.8 26.7 2.5 62.3 108 113 A I H > + 0 0 0 -2,-1.6 4,-2.8 -3,-0.3 5,-0.2 0.882 68.4 55.8 -67.8 -39.7 23.0 2.0 63.0 109 114 A D H > S+ 0 0 3 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.916 110.9 44.3 -63.0 -44.1 23.3 1.5 66.7 110 115 A G H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.891 111.2 54.5 -65.4 -39.1 25.1 4.8 67.1 111 116 A Y H X S+ 0 0 1 -4,-1.9 4,-0.9 1,-0.2 3,-0.4 0.933 107.4 49.5 -62.9 -46.0 22.6 6.6 64.8 112 117 A I H >X S+ 0 0 41 -4,-2.8 4,-1.9 1,-0.2 3,-0.9 0.909 108.1 55.7 -56.8 -40.3 19.7 5.4 66.9 113 118 A Y H 3X>S+ 0 0 26 -4,-1.7 5,-2.5 1,-0.3 4,-2.5 0.832 101.5 56.1 -64.5 -31.2 21.6 6.7 70.0 114 119 A T H 3<5S+ 0 0 7 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.729 111.9 44.8 -73.2 -18.6 21.9 10.1 68.5 115 120 A W H <<5S+ 0 0 98 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.783 123.9 31.3 -88.4 -32.1 18.1 10.1 68.1 116 121 A T H <5S- 0 0 87 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.762 136.4 -4.3 -99.6 -29.9 17.3 8.8 71.6 117 122 A K T <5S+ 0 0 84 -4,-2.5 2,-0.4 -5,-0.2 -3,-0.2 0.684 121.4 23.2-136.2 -50.7 20.0 10.0 73.9 118 123 A N > < - 0 0 27 -5,-2.5 3,-1.8 1,-0.1 -1,-0.1 -0.879 45.6-164.4-143.9 106.3 23.0 11.9 72.6 119 124 A R T 3 S+ 0 0 55 -2,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.703 92.3 54.0 -61.4 -22.2 23.0 13.9 69.4 120 125 A M T 3 S+ 0 0 80 -53,-0.0 -1,-0.3 156,-0.0 -54,-0.2 0.264 74.3 132.8-102.1 11.6 26.8 14.1 69.4 121 126 A W < + 0 0 15 -3,-1.8 -55,-0.9 1,-0.1 -7,-0.1 -0.348 24.9 173.3 -62.7 144.8 27.6 10.4 69.7 122 127 A R + 0 0 17 -57,-0.2 -57,-1.4 2,-0.1 -1,-0.1 0.724 47.5 65.1-119.7 -45.5 30.2 9.2 67.2 123 128 A K S S- 0 0 2 1,-0.2 14,-0.2 -59,-0.2 -58,-0.2 0.059 85.6 -87.7 -82.4-177.8 31.2 5.6 67.9 124 129 A T - 0 0 0 12,-2.4 -1,-0.2 -14,-0.1 -2,-0.1 -0.074 37.5-119.8 -71.5-172.1 29.4 2.3 67.7 125 130 A R + 0 0 43 10,-0.1 2,-0.1 2,-0.0 -1,-0.1 0.043 61.5 133.4-124.5 27.2 27.5 1.1 70.8 126 131 A S - 0 0 4 10,-0.1 9,-3.0 1,-0.1 2,-0.1 -0.415 56.4-111.9 -77.6 152.9 29.3 -2.1 71.7 127 132 A T - 0 0 94 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.402 24.3-142.7 -79.6 161.3 30.4 -2.9 75.2 128 133 A N > - 0 0 24 3,-0.4 3,-1.4 5,-0.4 5,-0.1 -0.994 20.8-111.2-129.4 132.3 34.1 -3.1 76.3 129 134 A A T 3 S+ 0 0 107 -2,-0.4 3,-0.1 1,-0.2 4,-0.1 -0.305 97.6 14.1 -61.1 138.0 35.6 -5.5 78.7 130 135 A G T 3 S+ 0 0 94 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.503 117.9 64.8 82.7 4.3 36.7 -4.1 82.0 131 136 A T S < S- 0 0 38 -3,-1.4 -3,-0.4 2,-0.1 -1,-0.1 -0.980 71.9-131.5-152.7 161.1 35.0 -0.7 81.7 132 137 A T S S+ 0 0 55 205,-0.4 206,-0.1 -2,-0.3 2,-0.1 0.552 73.4 115.7 -86.6 -11.1 31.6 1.0 81.5 133 138 A b - 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