==== 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 2PJ6 . COMPND 2 MOLECULE: CARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.ADLER,M.WHITLOW . 304 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.6 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 . 1 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 . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 1 0 2 0 0 1 0 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 1 1 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 2 0 0 0 1 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 1 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 0 109 0, 0.0 2,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 122.9 14.1 19.9 34.9 2 7 A H + 0 0 60 10,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.630 360.0 175.2 -93.6 138.9 15.7 17.8 32.2 3 8 A S > - 0 0 29 -2,-0.3 3,-0.8 3,-0.2 5,-0.1 -0.998 29.5-148.3-135.2 142.7 16.5 14.1 32.3 4 9 A Y T 3 S+ 0 0 46 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.598 103.6 52.7 -77.3 -10.8 17.9 11.8 29.5 5 10 A E T 3 S+ 0 0 88 277,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.147 106.3 56.5-113.2 17.4 15.9 9.0 31.1 6 11 A K S < S- 0 0 111 -3,-0.8 2,-0.5 276,-0.1 -3,-0.2 -0.918 92.1 -99.5-132.3 164.8 12.5 10.7 31.2 7 12 A Y - 0 0 20 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 -0.759 41.1-151.6 -84.5 129.7 10.4 12.3 28.5 8 13 A N - 0 0 10 -2,-0.5 -6,-0.1 60,-0.2 63,-0.0 -0.838 8.6-125.1-107.8 140.1 10.8 16.1 28.5 9 14 A N > - 0 0 52 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.144 36.2 -97.0 -74.2 174.8 8.2 18.6 27.5 10 15 A W H > S+ 0 0 12 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.916 122.0 56.2 -65.5 -43.8 9.0 21.3 24.9 11 16 A E H > S+ 0 0 149 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 113.4 43.4 -51.2 -43.0 9.8 24.0 27.3 12 17 A T H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.879 114.3 47.9 -72.9 -40.2 12.4 21.7 28.8 13 18 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.920 111.8 51.5 -66.2 -41.2 13.8 20.5 25.5 14 19 A E H X S+ 0 0 43 -4,-3.6 4,-1.3 1,-0.2 -2,-0.2 0.913 111.6 46.2 -59.9 -44.5 14.0 24.0 24.2 15 20 A A H X S+ 0 0 53 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.881 109.7 56.4 -66.3 -35.8 15.9 25.1 27.4 16 21 A W H X S+ 0 0 12 -4,-2.2 4,-3.3 1,-0.2 5,-0.3 0.902 101.4 55.3 -62.1 -40.9 18.1 22.0 26.9 17 22 A T H X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.885 113.5 41.8 -61.8 -37.4 19.1 23.0 23.4 18 23 A K H X S+ 0 0 84 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.892 115.7 50.7 -73.2 -40.8 20.3 26.4 24.7 19 24 A Q H X S+ 0 0 94 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.941 110.0 46.8 -62.9 -50.6 21.9 24.7 27.8 20 25 A V H X S+ 0 0 6 -4,-3.3 4,-1.0 1,-0.2 -1,-0.2 0.836 113.3 51.5 -65.6 -30.6 23.9 22.1 25.9 21 26 A T H < S+ 0 0 23 -4,-1.1 7,-0.3 -5,-0.3 3,-0.2 0.916 109.3 48.6 -70.1 -43.4 25.1 24.8 23.4 22 27 A S H < S+ 0 0 94 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.757 112.9 48.5 -69.6 -25.2 26.3 27.1 26.2 23 28 A E H < S+ 0 0 122 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.714 123.0 31.8 -85.5 -22.1 28.2 24.3 27.9 24 29 A N S >X S+ 0 0 43 -4,-1.0 3,-2.6 -3,-0.2 4,-2.6 -0.343 72.6 154.3-130.3 51.0 29.9 23.1 24.7 25 30 A P T 34 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.649 76.1 47.3 -63.0 -18.2 30.2 26.4 22.8 26 31 A D T 34 S+ 0 0 136 -3,-0.1 3,-0.1 1,-0.1 -4,-0.1 0.323 120.1 37.2-105.8 7.1 33.2 25.2 20.9 27 32 A L T <4 S+ 0 0 19 -3,-2.6 21,-2.3 1,-0.3 2,-0.4 0.542 118.4 43.3-122.2 -23.6 31.6 21.8 19.9 28 33 A I E < -A 47 0A 5 -4,-2.6 2,-0.3 -7,-0.3 -1,-0.3 -0.988 53.5-177.8-135.6 130.0 28.0 22.9 19.4 29 34 A S E -A 46 0A 55 17,-1.9 17,-3.0 -2,-0.4 2,-0.4 -0.941 16.4-145.6-121.0 153.2 26.1 25.7 17.7 30 35 A R E +A 45 0A 97 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.936 17.4 175.3-121.2 138.5 22.4 26.3 17.5 31 36 A T E -A 44 0A 82 13,-2.4 13,-3.1 -2,-0.4 2,-0.6 -0.965 28.7-132.1-135.6 152.6 20.2 27.8 14.8 32 37 A A E -A 43 0A 47 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.944 17.2-174.2-101.7 117.8 16.5 28.4 14.1 33 38 A I E - 0 0 32 9,-2.2 2,-0.3 -2,-0.6 10,-0.1 0.471 64.0 -46.6 -89.6 -2.8 15.7 27.2 10.6 34 39 A G E -A 42 0A 24 8,-0.5 8,-2.6 -3,-0.0 2,-0.3 -0.988 61.4 -84.5 166.8-167.3 12.2 28.5 10.9 35 40 A T E -A 41 0A 50 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.955 33.9-116.9-132.3 153.6 9.0 28.7 12.9 36 41 A T > - 0 0 0 4,-2.6 3,-1.7 -2,-0.3 71,-0.1 -0.216 41.5 -93.1 -78.0 174.9 6.0 26.4 13.4 37 42 A F T 3 S+ 0 0 81 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.867 130.9 48.3 -54.1 -38.4 2.5 27.3 12.5 38 43 A L T 3 S- 0 0 106 2,-0.0 -1,-0.3 88,-0.0 88,-0.0 0.393 125.9-102.2 -88.2 1.7 2.0 28.5 16.0 39 44 A G < + 0 0 45 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.517 69.9 146.3 96.2 5.7 5.2 30.5 15.9 40 45 A N - 0 0 44 1,-0.1 -4,-2.6 -5,-0.0 2,-0.3 -0.494 53.9-106.9 -75.5 145.8 7.6 28.3 17.9 41 46 A N E -A 35 0A 62 -6,-0.2 2,-1.0 -2,-0.2 -6,-0.2 -0.573 21.6-141.8 -74.9 128.4 11.3 28.3 16.9 42 47 A I E -A 34 0A 0 -8,-2.6 -9,-2.2 -2,-0.3 -8,-0.5 -0.790 26.4-155.5 -91.1 101.3 12.4 25.2 15.1 43 48 A Y E -A 32 0A 12 -2,-1.0 62,-0.4 -11,-0.2 2,-0.4 -0.492 13.8-169.3 -85.3 144.9 15.9 24.6 16.4 44 49 A L E -A 31 0A 4 -13,-3.1 -13,-2.4 -2,-0.2 2,-0.4 -0.999 10.1-149.3-130.6 130.6 18.8 22.8 14.8 45 50 A L E -AB 30 102A 0 57,-3.3 57,-2.9 -2,-0.4 2,-0.6 -0.825 1.1-154.1 -99.5 137.6 22.0 21.8 16.5 46 51 A K E -AB 29 101A 58 -17,-3.0 -17,-1.9 -2,-0.4 2,-0.5 -0.958 17.6-171.1-109.2 119.3 25.3 21.6 14.6 47 52 A V E +AB 28 100A 0 53,-3.2 53,-2.7 -2,-0.6 2,-0.2 -0.945 32.3 73.5-120.7 122.2 27.7 19.2 16.4 48 53 A G S S- 0 0 6 -21,-2.3 48,-0.2 -2,-0.5 51,-0.1 -0.843 83.6 -55.4 159.0 164.7 31.4 18.6 15.5 49 54 A K - 0 0 82 46,-2.7 -22,-0.1 49,-0.4 -2,-0.1 -0.545 69.1-107.1 -65.7 121.1 34.9 20.0 15.6 50 55 A P + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 -0.251 61.7 137.9 -57.3 130.2 34.7 23.4 13.9 51 56 A G > - 0 0 36 -3,-0.0 3,-0.6 3,-0.0 2,-0.0 -0.947 53.2 -83.7-172.7 151.1 36.2 23.4 10.5 52 57 A P T 3 S- 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.304 97.3 -12.3 -67.0 139.5 35.7 24.7 6.9 53 58 A N T 3 S+ 0 0 150 1,-0.1 0, 0.0 -2,-0.0 0, 0.0 0.842 80.9 172.1 39.9 62.4 33.5 22.8 4.5 54 59 A K < - 0 0 21 -3,-0.6 44,-0.2 1,-0.1 -1,-0.1 -0.725 35.5-110.9 -92.0 148.5 33.1 19.6 6.3 55 60 A P - 0 0 32 0, 0.0 44,-2.4 0, 0.0 2,-0.3 -0.282 40.1-153.9 -64.2 166.5 30.7 16.9 5.2 56 61 A A E -cd 99 185A 1 128,-2.5 130,-3.1 42,-0.2 131,-0.9 -0.980 19.9-142.2-144.6 153.5 27.6 16.3 7.4 57 62 A I E -cd 100 187A 1 42,-2.2 44,-2.8 -2,-0.3 2,-0.5 -0.972 24.0-148.1-110.6 134.8 25.1 13.8 8.5 58 63 A F E +cd 101 188A 0 129,-2.6 131,-3.2 -2,-0.4 2,-0.4 -0.914 19.6 174.9-107.2 127.2 21.6 15.1 9.0 59 64 A M E -cd 102 189A 0 42,-3.0 44,-2.8 -2,-0.5 2,-0.3 -0.995 4.8-175.7-131.0 132.6 19.3 13.6 11.6 60 65 A D E -cd 103 190A 0 129,-2.1 131,-2.9 -2,-0.4 2,-0.3 -0.922 2.3-171.5-123.7 153.7 15.8 14.6 12.8 61 66 A a E + d 0 191A 0 42,-2.4 45,-1.6 -2,-0.3 46,-0.2 -0.874 59.2 42.7-128.0 166.5 13.5 13.4 15.4 62 67 A G + 0 0 0 129,-0.6 45,-1.9 -2,-0.3 49,-0.2 0.748 51.4 142.3 72.9 26.5 9.9 14.2 16.3 63 68 A F S S+ 0 0 0 128,-0.5 2,-0.5 43,-0.2 129,-0.1 0.933 76.2 48.1 -53.7 -45.1 8.2 14.3 12.9 64 69 A H S > S- 0 0 3 1,-0.1 3,-1.7 3,-0.1 59,-0.2 -0.884 83.2-142.1-111.5 126.0 5.2 12.7 14.7 65 70 A A T 3 S+ 0 0 0 57,-1.6 57,-0.2 -2,-0.5 -1,-0.1 0.805 95.2 48.4 -60.8 -38.5 4.0 14.2 17.9 66 71 A R T 3 S+ 0 0 37 55,-0.8 2,-1.8 1,-0.2 -1,-0.3 0.541 84.1 92.2 -82.4 -6.8 3.2 11.0 19.8 67 72 A E X> + 0 0 7 -3,-1.7 3,-2.1 1,-0.2 4,-0.8 -0.399 50.6 166.0 -88.4 64.4 6.4 9.1 19.0 68 73 A W H 3> + 0 0 23 -2,-1.8 4,-1.9 207,-0.4 -1,-0.2 0.698 64.5 64.6 -61.0 -25.8 8.1 10.4 22.2 69 74 A I H 3> S+ 0 0 2 206,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.793 97.0 60.6 -69.5 -23.3 11.0 7.9 22.1 70 75 A S H <> S+ 0 0 0 -3,-2.1 4,-1.7 2,-0.2 3,-0.2 0.967 105.5 44.7 -62.3 -54.3 12.1 9.6 18.9 71 76 A H H X S+ 0 0 0 -4,-0.8 4,-1.4 1,-0.2 -2,-0.2 0.905 112.0 54.4 -57.0 -42.4 12.5 13.0 20.6 72 77 A A H X S+ 0 0 8 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.861 104.6 55.3 -61.9 -36.9 14.3 11.3 23.5 73 78 A F H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.909 101.5 53.8 -65.8 -43.4 16.8 9.7 21.1 74 79 A a H X S+ 0 0 0 -4,-1.7 4,-2.0 30,-0.2 -1,-0.2 0.898 112.4 47.1 -59.2 -36.6 18.0 12.9 19.5 75 80 A Q H X S+ 0 0 4 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.934 112.0 49.2 -67.3 -44.7 18.8 14.2 23.0 76 81 A W H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.916 109.7 52.9 -58.2 -45.3 20.5 11.0 24.0 77 82 A F H X S+ 0 0 2 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.932 107.5 49.9 -59.4 -47.9 22.6 11.1 20.8 78 83 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.909 110.5 49.9 -60.3 -41.7 23.8 14.7 21.4 79 84 A R H X S+ 0 0 61 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.916 110.5 50.3 -64.0 -40.1 24.9 13.8 25.0 80 85 A E H X S+ 0 0 49 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.933 108.8 52.3 -63.2 -45.1 26.8 10.8 23.8 81 86 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.943 114.7 41.9 -53.1 -49.9 28.5 12.8 21.1 82 87 A V H < S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.879 114.2 50.2 -69.6 -38.6 29.6 15.4 23.7 83 88 A L H < S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.839 120.2 34.4 -70.4 -33.5 30.6 12.9 26.4 84 89 A T H >X S+ 0 0 36 -4,-2.2 3,-1.7 -5,-0.2 4,-1.2 0.597 89.4 106.3-101.4 -13.7 32.8 10.8 24.2 85 90 A Y T 3< S+ 0 0 56 -4,-1.7 4,-0.1 -5,-0.3 7,-0.1 -0.525 82.4 29.5 -69.4 127.6 34.2 13.4 21.9 86 91 A G T 34 S+ 0 0 49 -2,-0.3 -1,-0.2 2,-0.3 3,-0.1 0.259 129.5 34.9 108.0 -11.3 37.9 14.0 22.8 87 92 A Y T <4 S+ 0 0 182 -3,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.311 92.5 80.7-162.4 17.1 38.6 10.5 24.1 88 93 A E X - 0 0 61 -4,-1.2 4,-3.3 1,-0.1 5,-0.3 -0.984 68.8-144.2-120.1 121.3 36.7 7.8 22.1 89 94 A S H > S+ 0 0 87 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.876 93.5 43.9 -53.4 -49.0 38.5 7.1 18.9 90 95 A H H > S+ 0 0 89 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.971 119.6 38.5 -63.6 -56.6 35.5 6.5 16.7 91 96 A M H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.864 116.3 54.0 -64.6 -34.6 33.3 9.4 17.9 92 97 A T H X S+ 0 0 27 -4,-3.3 4,-0.9 -8,-0.2 -1,-0.2 0.922 112.7 42.9 -64.2 -43.3 36.4 11.6 18.1 93 98 A E H X S+ 0 0 66 -4,-2.7 4,-2.5 -5,-0.3 5,-0.3 0.917 112.1 56.3 -65.1 -43.3 37.2 10.7 14.5 94 99 A F H X S+ 0 0 5 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.946 113.0 37.9 -51.3 -55.7 33.5 11.1 13.5 95 100 A L H < S+ 0 0 0 -4,-2.6 -46,-2.7 1,-0.2 -1,-0.2 0.604 114.3 57.7 -80.1 -11.5 33.3 14.7 14.8 96 101 A N H < S+ 0 0 49 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.871 116.1 32.9 -76.9 -41.5 36.8 15.5 13.6 97 102 A K H < S+ 0 0 102 -4,-2.5 2,-0.3 -3,-0.1 -2,-0.2 0.695 127.6 15.0 -93.3 -22.0 36.0 14.5 10.0 98 103 A L < - 0 0 3 -4,-2.0 -49,-0.4 -5,-0.3 2,-0.3 -0.925 65.4-120.4-147.0 170.1 32.3 15.6 9.8 99 104 A D E - c 0 56A 4 -44,-2.4 -42,-2.2 -2,-0.3 2,-0.5 -0.817 17.5-140.4-109.0 153.9 29.5 17.5 11.4 100 105 A F E -Bc 47 57A 2 -53,-2.7 -53,-3.2 -2,-0.3 2,-0.8 -0.976 5.4-156.0-111.1 127.7 26.1 16.3 12.6 101 106 A Y E -Bc 46 58A 24 -44,-2.8 -42,-3.0 -2,-0.5 2,-0.6 -0.910 17.9-170.8 -97.1 108.7 23.0 18.4 12.1 102 107 A V E -Bc 45 59A 0 -57,-2.9 -57,-3.3 -2,-0.8 -42,-0.2 -0.902 14.6-171.7-106.4 119.2 20.6 17.3 14.8 103 108 A L E - c 0 60A 0 -44,-2.8 -42,-2.4 -2,-0.6 3,-0.2 -0.861 8.1-169.4-106.9 96.6 17.0 18.6 14.6 104 109 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.838 70.9 9.8 -64.8 -38.0 15.6 17.4 18.0 105 110 A V + 0 0 1 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.912 56.0 173.3-143.0 115.4 11.9 18.1 17.4 106 111 A L S S+ 0 0 0 -45,-1.6 2,-1.8 -2,-0.3 3,-0.2 0.951 80.3 50.7 -79.2 -54.2 10.5 19.1 14.0 107 112 A N > + 0 0 0 -45,-1.9 4,-2.0 1,-0.2 -1,-0.2 -0.522 65.5 157.7 -91.3 73.9 6.8 19.0 14.9 108 113 A I H > + 0 0 0 -2,-1.8 4,-2.4 -3,-0.3 5,-0.2 0.874 68.2 55.1 -68.4 -40.4 6.8 21.2 17.9 109 114 A D H > S+ 0 0 2 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 111.4 45.0 -60.7 -45.0 3.2 22.3 17.9 110 115 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 109.6 55.6 -66.0 -40.1 2.0 18.7 17.8 111 116 A Y H X S+ 0 0 2 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.933 108.5 47.6 -59.8 -44.1 4.5 17.7 20.6 112 117 A I H >X S+ 0 0 53 -4,-2.4 4,-1.3 1,-0.2 3,-0.7 0.915 109.3 55.2 -61.3 -39.4 3.1 20.4 22.8 113 118 A Y H 3X>S+ 0 0 44 -4,-1.9 4,-2.8 1,-0.2 5,-2.1 0.861 104.3 53.0 -62.4 -36.2 -0.4 19.2 22.0 114 119 A T H 3<5S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.735 111.5 47.2 -73.6 -19.9 0.4 15.6 23.1 115 120 A W H <<5S+ 0 0 95 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.681 124.3 29.9 -87.4 -21.6 1.6 17.0 26.4 116 121 A T H <5S- 0 0 84 -4,-1.3 -2,-0.2 -3,-0.2 -3,-0.2 0.778 134.7 -0.2-111.8 -34.1 -1.4 19.2 27.0 117 122 A K T <5S+ 0 0 152 -4,-2.8 2,-0.3 -5,-0.2 -3,-0.2 0.714 123.5 18.4-128.3 -42.8 -4.5 17.7 25.4 118 123 A N > < - 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