==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 01-MAY-13 3WAB . COMPND 2 MOLECULE: CARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR N.YOSHIMOTO,T.ITOH,Y.INABA,K.YAMAMOTO . 304 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 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 . 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 . 23 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.9 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 0 1 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 2 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 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 98 0, 0.0 2,-0.2 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 122.3 28.0 -35.5 12.6 2 7 A H + 0 0 61 10,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.563 360.0 177.4 -81.2 141.6 26.8 -33.4 9.7 3 8 A S > - 0 0 36 -2,-0.2 3,-1.3 3,-0.2 5,-0.0 -0.979 31.7-148.4-147.2 131.9 25.2 -35.0 6.7 4 9 A Y T 3 S+ 0 0 47 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.672 101.8 57.1 -70.0 -17.6 23.6 -33.6 3.5 5 10 A E T 3 S+ 0 0 93 2,-0.1 2,-0.3 277,-0.1 277,-0.3 0.299 108.0 48.4 -96.9 7.0 21.2 -36.5 3.5 6 11 A K S < S- 0 0 63 -3,-1.3 2,-0.5 276,-0.1 -3,-0.2 -0.908 92.7 -94.4-138.8 166.8 19.8 -35.9 6.9 7 12 A Y - 0 0 14 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 -0.731 41.5-155.8 -84.6 127.1 18.4 -33.0 8.9 8 13 A N - 0 0 2 -2,-0.5 -6,-0.1 -4,-0.1 63,-0.0 -0.842 12.9-121.8-106.7 142.4 21.1 -31.4 11.1 9 14 A N >> - 0 0 50 -2,-0.4 4,-2.2 1,-0.1 3,-0.6 -0.246 36.1 -96.4 -74.3 170.5 20.5 -29.4 14.3 10 15 A W H 3> S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.847 122.0 58.5 -58.2 -39.2 21.6 -25.9 14.6 11 16 A E H 3> S+ 0 0 155 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.898 112.4 43.2 -57.6 -38.0 24.9 -26.7 16.5 12 17 A T H <> S+ 0 0 23 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.892 112.6 48.9 -75.2 -44.1 25.8 -28.9 13.5 13 18 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.920 111.2 51.8 -63.7 -41.8 24.8 -26.5 10.7 14 19 A E H X S+ 0 0 62 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.912 111.8 45.8 -59.5 -44.5 26.6 -23.6 12.4 15 20 A A H X S+ 0 0 58 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.864 110.1 56.7 -65.6 -36.1 29.8 -25.8 12.6 16 21 A W H X S+ 0 0 16 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.884 100.9 55.2 -63.7 -40.5 29.2 -26.8 9.0 17 22 A T H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.849 112.5 44.0 -62.5 -32.5 29.2 -23.1 7.8 18 23 A K H X S+ 0 0 137 -4,-1.2 4,-1.7 -5,-0.2 -2,-0.2 0.865 116.5 45.2 -79.0 -37.7 32.6 -22.7 9.4 19 24 A Q H X S+ 0 0 93 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.905 112.6 48.9 -73.3 -43.3 34.0 -26.0 8.1 20 25 A V H X S+ 0 0 3 -4,-3.0 4,-0.8 1,-0.2 -1,-0.2 0.841 112.6 50.2 -66.7 -31.3 32.8 -25.7 4.6 21 26 A T H < S+ 0 0 25 -4,-0.9 3,-0.3 -5,-0.3 7,-0.3 0.891 111.9 47.2 -72.5 -38.0 34.2 -22.2 4.4 22 27 A S H < S+ 0 0 70 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.838 111.6 50.9 -71.8 -31.6 37.6 -23.4 5.7 23 28 A E H < S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.647 119.4 35.8 -79.6 -16.0 37.6 -26.3 3.2 24 29 A N >X + 0 0 38 -4,-0.8 4,-2.9 -3,-0.3 3,-1.9 -0.362 65.4 154.8-135.6 57.7 36.9 -24.0 0.2 25 30 A P T 34 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.757 74.8 54.9 -56.4 -30.0 38.6 -20.7 0.8 26 31 A D T 34 S+ 0 0 138 1,-0.1 3,-0.1 23,-0.1 -2,-0.0 0.547 122.8 27.8 -82.1 -5.4 38.9 -19.8 -2.9 27 32 A L T <4 S+ 0 0 14 -3,-1.9 21,-2.8 1,-0.2 2,-0.4 0.614 117.3 48.9-126.7 -24.3 35.1 -20.3 -3.3 28 33 A I E < +A 47 0A 5 -4,-2.9 2,-0.3 -7,-0.3 -1,-0.2 -0.974 46.8 175.1-132.0 138.3 33.5 -19.5 0.0 29 34 A S E -A 46 0A 56 17,-1.2 17,-2.6 -2,-0.4 2,-0.4 -0.966 18.8-145.9-132.7 148.2 33.6 -16.7 2.6 30 35 A R E +A 45 0A 74 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.915 20.8 162.3-121.9 144.9 31.4 -16.4 5.8 31 36 A T E -A 44 0A 80 13,-2.0 13,-2.8 -2,-0.4 2,-0.5 -0.969 34.4-120.5-150.4 163.3 30.0 -13.5 7.7 32 37 A A E -A 43 0A 51 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.942 14.3-167.9-108.9 126.3 27.3 -12.7 10.2 33 38 A I E - 0 0 31 9,-2.4 2,-0.3 -2,-0.5 10,-0.1 0.437 65.9 -53.7 -92.9 1.1 24.6 -10.2 9.1 34 39 A G E - 0 0 26 8,-0.4 8,-3.1 5,-0.0 2,-0.3 -0.962 62.4 -80.2 155.4-169.4 23.2 -9.8 12.6 35 40 A T E -A 41 0A 49 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.926 33.9-116.9-130.0 155.5 21.9 -11.8 15.6 36 41 A T > - 0 0 0 4,-2.1 3,-1.8 -2,-0.3 -1,-0.1 -0.103 43.1 -89.1 -78.2-179.9 18.5 -13.3 16.4 37 42 A F T 3 S+ 0 0 82 1,-0.3 -1,-0.1 2,-0.1 90,-0.0 0.897 133.4 46.7 -57.0 -42.2 16.2 -12.5 19.3 38 43 A L T 3 S- 0 0 107 2,-0.0 -1,-0.3 1,-0.0 -2,-0.0 0.328 126.3-104.1 -84.4 8.4 18.1 -15.0 21.4 39 44 A G < + 0 0 43 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.702 66.2 153.9 80.5 20.9 21.4 -13.5 20.2 40 45 A N - 0 0 43 1,-0.1 -4,-2.1 2,-0.0 -1,-0.2 -0.634 50.2-107.8 -84.7 141.2 22.4 -16.2 17.7 41 46 A N E -A 35 0A 64 -2,-0.3 2,-1.1 -6,-0.2 -6,-0.2 -0.480 23.7-140.5 -67.4 128.7 24.7 -15.2 14.9 42 47 A I E - 0 0 0 -8,-3.1 -9,-2.4 -2,-0.2 -8,-0.4 -0.789 25.8-152.8 -93.4 98.8 22.9 -15.2 11.5 43 48 A Y E -A 32 0A 25 -2,-1.1 62,-0.4 -11,-0.2 2,-0.4 -0.446 13.4-168.6 -78.6 145.1 25.5 -16.6 9.2 44 49 A L E -A 31 0A 1 -13,-2.8 -13,-2.0 -2,-0.2 2,-0.5 -0.998 8.6-151.3-132.8 132.8 25.7 -15.9 5.5 45 50 A L E -AB 30 102A 0 57,-2.8 57,-3.2 -2,-0.4 2,-0.8 -0.911 3.2-154.1-108.8 128.1 27.8 -17.7 2.9 46 51 A K E -AB 29 101A 72 -17,-2.6 -17,-1.2 -2,-0.5 2,-0.5 -0.885 17.8-165.3-101.0 106.1 29.1 -15.9 -0.2 47 52 A V E +AB 28 100A 0 53,-3.9 53,-3.1 -2,-0.8 -19,-0.2 -0.830 39.4 72.6 -99.1 125.3 29.6 -18.6 -2.8 48 53 A G S S- 0 0 7 -21,-2.8 48,-0.2 -2,-0.5 51,-0.1 -0.697 77.9 -81.8 150.2 157.1 31.6 -17.8 -5.9 49 54 A K - 0 0 103 46,-2.0 -22,-0.1 49,-0.3 -23,-0.1 -0.723 58.5 -96.9 -86.7 131.5 35.2 -17.2 -7.2 50 55 A P + 0 0 109 0, 0.0 -1,-0.1 0, 0.0 48,-0.0 -0.127 59.9 148.1 -48.5 135.6 36.5 -13.6 -6.7 51 56 A G > - 0 0 39 -3,-0.0 3,-0.6 46,-0.0 2,-0.3 -0.961 49.0 -77.0-160.6 168.3 36.0 -11.3 -9.7 52 57 A P T 3 S- 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.575 101.5 -16.0 -81.2 135.6 35.4 -7.6 -10.6 53 58 A N T 3 S- 0 0 163 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 0.846 83.3-172.6 41.4 51.2 31.9 -6.1 -10.2 54 59 A K < - 0 0 18 -3,-0.6 44,-0.2 44,-0.1 -1,-0.2 -0.508 19.5-130.1 -75.4 136.0 30.2 -9.5 -10.0 55 60 A P - 0 0 29 0, 0.0 44,-2.3 0, 0.0 2,-0.3 -0.397 31.5-146.5 -76.0 165.2 26.4 -9.6 -10.1 56 61 A A E -cd 99 185A 2 128,-2.7 130,-3.2 42,-0.2 131,-1.1 -0.961 18.2-148.0-141.6 158.5 24.8 -11.7 -7.4 57 62 A I E -cd 100 187A 1 42,-2.3 44,-2.5 -2,-0.3 2,-0.5 -0.969 17.8-148.5-120.2 134.8 21.8 -13.9 -6.4 58 63 A F E +cd 101 188A 0 129,-3.2 131,-4.1 -2,-0.4 2,-0.4 -0.920 19.6 173.2-110.4 125.4 20.4 -14.0 -2.9 59 64 A M E -cd 102 189A 4 42,-2.7 44,-2.9 -2,-0.5 2,-0.3 -0.996 3.9-178.8-132.6 131.1 18.9 -17.2 -1.6 60 65 A D E -cd 103 190A 0 129,-2.1 131,-3.2 -2,-0.4 2,-0.3 -0.941 3.4-171.7-129.1 153.9 17.7 -17.9 2.0 61 66 A a + 0 0 0 42,-2.3 45,-1.7 -2,-0.3 46,-0.2 -0.819 58.8 45.1-132.7 170.9 16.2 -20.9 3.7 62 67 A G + 0 0 0 129,-0.4 45,-1.7 5,-0.3 49,-0.2 0.766 52.8 143.1 66.0 28.9 14.7 -21.6 7.1 63 68 A F S S+ 0 0 0 128,-0.6 2,-0.5 43,-0.2 47,-0.1 0.915 75.4 47.0 -61.5 -41.4 12.4 -18.6 7.3 64 69 A H S > S- 0 0 3 3,-0.1 3,-1.3 1,-0.1 -1,-0.2 -0.904 83.9-140.7-108.8 125.9 9.9 -21.0 9.0 65 70 A A T 3 S+ 0 0 0 57,-1.5 57,-0.2 -2,-0.5 -1,-0.1 0.827 96.4 49.2 -49.8 -47.5 11.2 -23.3 11.7 66 71 A R T 3 S+ 0 0 40 55,-1.2 2,-1.7 1,-0.2 -1,-0.2 0.591 84.9 90.7 -75.4 -11.4 9.3 -26.5 10.8 67 72 A E X> + 0 0 4 -3,-1.3 3,-2.1 1,-0.2 4,-0.8 -0.351 50.1 162.9 -85.8 60.5 10.2 -26.4 7.1 68 73 A W H 3> + 0 0 26 -2,-1.7 4,-2.0 207,-0.4 -1,-0.2 0.689 65.3 63.2 -49.8 -33.5 13.3 -28.6 7.6 69 74 A I H 3> S+ 0 0 3 206,-0.3 4,-1.5 -3,-0.2 -1,-0.3 0.789 98.4 60.4 -66.9 -24.8 13.7 -29.6 4.0 70 75 A S H <> S+ 0 0 0 -3,-2.1 4,-1.5 2,-0.2 3,-0.4 0.962 105.2 44.8 -64.2 -52.6 14.2 -25.9 3.3 71 76 A H H X S+ 0 0 0 -4,-0.8 4,-1.5 1,-0.2 3,-0.2 0.908 111.9 54.7 -56.4 -45.3 17.3 -25.7 5.6 72 77 A A H X S+ 0 0 6 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.810 103.5 56.6 -60.3 -32.8 18.6 -28.9 4.0 73 78 A F H X S+ 0 0 0 -4,-1.5 4,-2.7 -3,-0.4 -1,-0.2 0.896 102.0 52.6 -69.4 -41.4 18.3 -27.4 0.5 74 79 A a H X S+ 0 0 0 -4,-1.5 4,-1.9 30,-0.2 -1,-0.2 0.914 112.0 47.2 -60.4 -41.4 20.6 -24.4 1.2 75 80 A Q H X S+ 0 0 4 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.944 110.5 52.9 -64.1 -44.3 23.2 -26.8 2.5 76 81 A W H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.889 105.3 54.4 -57.4 -42.7 22.7 -29.0 -0.6 77 82 A F H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.949 109.7 46.3 -57.4 -48.8 23.2 -26.1 -2.9 78 83 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.915 110.3 55.5 -59.2 -41.7 26.6 -25.3 -1.3 79 84 A R H X S+ 0 0 59 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.928 109.7 45.7 -54.5 -49.4 27.3 -29.0 -1.5 80 85 A E H X S+ 0 0 17 -4,-2.8 4,-3.1 2,-0.2 5,-0.4 0.946 110.3 54.0 -59.5 -52.5 26.7 -29.0 -5.3 81 86 A A H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.930 115.1 37.3 -50.2 -56.3 28.7 -25.8 -5.9 82 87 A V H < S+ 0 0 36 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.823 119.3 49.7 -70.0 -31.4 31.9 -27.1 -4.2 83 88 A L H < S+ 0 0 95 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.931 121.1 30.2 -73.1 -46.8 31.5 -30.6 -5.5 84 89 A T H >X S+ 0 0 26 -4,-3.1 4,-2.3 -5,-0.2 3,-2.1 0.494 82.7 124.8 -94.4 -4.4 30.9 -29.9 -9.2 85 90 A Y T 3< S+ 0 0 61 -4,-1.3 4,-0.1 -5,-0.4 -4,-0.0 -0.381 85.4 14.3 -57.0 125.1 32.9 -26.6 -9.6 86 91 A G T 34 S+ 0 0 55 2,-0.5 -1,-0.3 -2,-0.1 3,-0.1 0.105 124.2 61.2 96.9 -23.2 35.3 -27.3 -12.4 87 92 A Y T <4 S+ 0 0 203 -3,-2.1 2,-0.6 1,-0.2 -2,-0.2 0.718 96.8 57.2-105.1 -30.8 33.6 -30.5 -13.7 88 93 A E S X S- 0 0 46 -4,-2.3 4,-2.2 1,-0.1 -2,-0.5 -0.922 72.9-150.7-106.8 116.3 30.2 -29.1 -14.6 89 94 A S H > S+ 0 0 82 -2,-0.6 4,-2.0 1,-0.2 5,-0.1 0.837 91.8 49.0 -54.4 -41.3 30.4 -26.2 -17.2 90 95 A H H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.959 113.0 43.3 -67.3 -52.9 27.3 -24.4 -16.0 91 96 A M H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.877 114.0 53.3 -61.8 -36.8 28.0 -24.3 -12.2 92 97 A T H X S+ 0 0 25 -4,-2.2 4,-2.0 -8,-0.2 -1,-0.2 0.924 111.4 44.9 -64.2 -44.0 31.6 -23.4 -13.0 93 98 A E H X S+ 0 0 72 -4,-2.0 4,-2.1 -5,-0.2 5,-0.2 0.837 112.3 53.4 -68.1 -33.6 30.4 -20.4 -15.1 94 99 A F H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.964 113.8 40.2 -64.4 -53.2 27.8 -19.4 -12.5 95 100 A L H < S+ 0 0 0 -4,-2.6 -46,-2.0 1,-0.2 -2,-0.2 0.828 116.0 52.9 -66.1 -32.9 30.4 -19.3 -9.7 96 101 A N H < S+ 0 0 59 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.879 119.4 31.1 -70.7 -38.7 33.0 -17.7 -11.9 97 102 A K H < S+ 0 0 109 -4,-2.1 2,-0.3 -5,-0.1 -2,-0.2 0.705 123.5 24.8 -97.1 -21.9 30.7 -14.8 -13.1 98 103 A L S < S- 0 0 3 -4,-2.4 2,-0.3 -5,-0.2 -49,-0.3 -0.910 70.8-117.9-139.1 166.8 28.4 -14.1 -10.2 99 104 A D E - c 0 56A 13 -44,-2.3 -42,-2.3 -2,-0.3 2,-0.6 -0.831 15.7-147.8-107.1 147.5 28.2 -14.5 -6.4 100 105 A F E -Bc 47 57A 4 -53,-3.1 -53,-3.9 -2,-0.3 2,-1.0 -0.951 3.5-160.2-116.5 111.9 25.7 -16.5 -4.5 101 106 A Y E -Bc 46 58A 24 -44,-2.5 -42,-2.7 -2,-0.6 2,-0.6 -0.808 15.7-171.8 -92.1 102.4 24.7 -15.3 -1.1 102 107 A V E -Bc 45 59A 1 -57,-3.2 -57,-2.8 -2,-1.0 -42,-0.2 -0.873 12.3-165.8-101.0 116.2 23.3 -18.3 0.7 103 108 A L E - c 0 60A 0 -44,-2.9 -42,-2.3 -2,-0.6 3,-0.2 -0.831 6.7-165.0-102.8 94.7 21.6 -17.7 4.0 104 109 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.825 71.7 2.2 -44.5 -50.7 21.4 -21.3 5.5 105 110 A V + 0 0 1 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.910 53.8 177.5-149.8 117.3 18.9 -20.5 8.2 106 111 A L S S+ 0 0 0 -45,-1.7 2,-1.4 -2,-0.3 3,-0.2 0.930 83.5 50.3 -83.2 -49.3 17.2 -17.1 9.0 107 112 A N > + 0 0 1 -45,-1.7 4,-2.1 -46,-0.2 -1,-0.2 -0.574 65.6 156.2 -91.7 71.2 15.0 -18.2 11.9 108 113 A I H > + 0 0 0 -2,-1.4 4,-2.8 -3,-0.3 5,-0.2 0.890 69.6 54.3 -64.4 -43.8 17.6 -19.9 14.0 109 114 A D H > S+ 0 0 2 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 111.4 45.7 -58.6 -45.9 15.8 -19.5 17.3 110 115 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 110.9 53.4 -63.9 -41.5 12.7 -21.1 15.8 111 116 A Y H X S+ 0 0 1 -4,-2.1 4,-1.1 2,-0.2 3,-0.3 0.939 108.2 49.0 -59.2 -48.4 14.7 -23.9 14.3 112 117 A I H >X S+ 0 0 53 -4,-2.8 4,-1.8 1,-0.2 3,-1.1 0.936 108.9 54.3 -56.1 -46.9 16.4 -24.8 17.6 113 118 A Y H 3X>S+ 0 0 59 -4,-2.1 4,-2.8 1,-0.3 5,-2.4 0.837 103.3 55.7 -56.4 -37.4 12.9 -24.8 19.2 114 119 A T H 3<5S+ 0 0 6 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.775 110.6 46.2 -68.4 -24.9 11.7 -27.3 16.7 115 120 A W H <<5S+ 0 0 96 -4,-1.1 -2,-0.2 -3,-1.1 -1,-0.2 0.774 125.0 28.4 -86.4 -28.3 14.6 -29.6 17.7 116 121 A T H <5S- 0 0 90 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.805 136.0 -0.1-103.7 -35.5 14.1 -29.3 21.4 117 122 A K T <5S+ 0 0 167 -4,-2.8 2,-0.4 -5,-0.2 -3,-0.2 0.723 122.9 23.0-126.2 -41.6 10.4 -28.6 22.2 118 123 A N > < - 0 0 63 -5,-2.4 3,-1.6 1,-0.1 -1,-0.2 -0.865 46.3-167.6-142.0 105.4 8.0 -28.3 19.3 119 124 A R T 3 S+ 0 0 58 -2,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.781 91.3 53.6 -59.5 -29.1 8.6 -29.9 15.9 120 125 A M T 3 S+ 0 0 70 -53,-0.0 -1,-0.3 156,-0.0 -54,-0.1 0.179 74.6 132.1 -95.6 17.8 5.7 -27.9 14.4 121 126 A W < + 0 0 32 -3,-1.6 -55,-1.2 -11,-0.1 -7,-0.1 -0.461 24.6 172.3 -69.8 142.6 6.8 -24.4 15.4 122 127 A R + 0 0 17 -57,-0.2 -57,-1.5 -2,-0.1 -1,-0.1 0.754 48.8 62.2-117.2 -47.9 6.7 -21.9 12.5 123 128 A K S S- 0 0 4 -59,-0.2 -58,-0.3 1,-0.2 14,-0.2 0.097 88.0 -85.7 -75.5-174.4 7.3 -18.4 13.8 124 129 A T - 0 0 1 12,-1.7 -1,-0.2 -14,-0.1 -2,-0.1 -0.071 37.1-118.2 -78.1-169.8 10.3 -16.8 15.5 125 130 A R + 0 0 48 10,-0.1 2,-0.1 9,-0.1 -1,-0.1 0.069 66.3 124.7-123.8 26.0 10.7 -17.0 19.2 126 131 A S - 0 0 7 10,-0.1 9,-3.4 1,-0.1 2,-0.1 -0.409 60.7-108.3 -80.7 163.5 10.6 -13.3 20.3 127 132 A T - 0 0 92 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.377 23.4-139.1 -88.0 167.7 8.1 -12.1 22.8 128 133 A N > - 0 0 18 3,-0.4 3,-1.3 5,-0.4 2,-0.0 -0.994 21.1-109.2-133.7 138.1 5.0 -10.0 22.3 129 134 A A T 3 S+ 0 0 104 -2,-0.4 3,-0.1 1,-0.2 4,-0.1 -0.323 98.2 13.5 -63.8 139.5 3.5 -7.1 24.4 130 135 A G T 3 S+ 0 0 93 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.544 120.4 59.6 74.1 9.2 0.4 -7.8 26.4 131 136 A T S < S- 0 0 48 -3,-1.3 -3,-0.4 2,-0.1 -1,-0.1 -0.976 72.1-131.8-158.3 164.3 0.4 -11.6 26.0 132 137 A T S S+ 0 0 131 -2,-0.3 -1,-0.1 -5,-0.1 -3,-0.1 0.558 70.8 118.6 -96.5 -10.7 2.5 -14.6 26.7 133 138 A b - 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