==== 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 24-MAY-13 3WC7 . 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) . 11982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 69.7 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 . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.5 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 2 0 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,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 115.0 28.3 -35.4 12.7 2 7 A H + 0 0 60 10,-0.1 2,-0.4 6,-0.1 5,-0.1 -0.606 360.0 179.1 -84.9 142.8 26.9 -33.4 9.7 3 8 A S > - 0 0 37 -2,-0.3 3,-1.3 3,-0.2 5,-0.0 -0.993 29.7-146.8-139.8 137.0 25.3 -35.2 6.7 4 9 A Y T 3 S+ 0 0 47 -2,-0.4 72,-0.1 1,-0.2 -1,-0.1 0.706 102.1 57.3 -72.3 -16.1 23.8 -33.6 3.6 5 10 A E T 3 S+ 0 0 93 277,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.162 106.1 52.2 -98.3 17.7 21.3 -36.6 3.5 6 11 A K S < S- 0 0 60 -3,-1.3 2,-0.4 276,-0.1 -3,-0.2 -0.921 93.5 -93.8-138.1 167.0 19.9 -36.0 7.0 7 12 A Y - 0 0 12 -2,-0.3 2,-0.4 -5,-0.1 62,-0.1 -0.736 42.7-151.1 -82.3 132.0 18.4 -33.1 8.9 8 13 A N - 0 0 3 -2,-0.4 -6,-0.1 60,-0.2 63,-0.0 -0.853 10.0-124.5-110.2 138.1 21.1 -31.4 10.9 9 14 A N > - 0 0 50 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.193 36.2 -98.5 -72.3 171.4 20.5 -29.5 14.2 10 15 A W H > S+ 0 0 14 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.907 123.2 55.8 -62.5 -40.3 21.6 -25.9 14.5 11 16 A E H > S+ 0 0 150 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 112.1 45.0 -54.9 -42.6 24.8 -26.7 16.3 12 17 A T H > S+ 0 0 22 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.887 114.0 46.9 -66.7 -44.0 25.7 -29.0 13.4 13 18 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.897 111.9 51.7 -69.7 -39.6 24.8 -26.5 10.7 14 19 A E H X S+ 0 0 61 -4,-3.2 4,-1.5 -5,-0.2 -2,-0.2 0.951 112.3 44.7 -61.4 -47.7 26.6 -23.7 12.5 15 20 A A H X S+ 0 0 59 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.863 111.4 56.7 -61.4 -36.8 29.8 -25.9 12.7 16 21 A W H X S+ 0 0 15 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.924 101.5 54.9 -62.8 -45.4 29.2 -26.9 9.0 17 22 A T H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.895 113.5 42.3 -52.2 -39.6 29.2 -23.2 7.9 18 23 A K H X S+ 0 0 129 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.927 117.1 45.7 -74.5 -46.2 32.6 -22.7 9.4 19 24 A Q H X S+ 0 0 96 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.902 112.3 49.5 -66.3 -40.8 34.1 -26.0 8.2 20 25 A V H X S+ 0 0 3 -4,-3.2 4,-0.8 2,-0.2 -1,-0.2 0.854 112.1 50.0 -68.9 -34.9 32.8 -25.7 4.6 21 26 A T H >< S+ 0 0 23 -4,-1.3 3,-1.0 -5,-0.4 7,-0.3 0.965 112.7 46.6 -64.7 -51.3 34.2 -22.2 4.5 22 27 A S H 3< S+ 0 0 77 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.812 112.5 49.3 -57.9 -38.4 37.6 -23.5 5.8 23 28 A E H 3< S+ 0 0 122 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.624 120.4 35.9 -78.1 -17.0 37.7 -26.4 3.4 24 29 A N XX + 0 0 38 -3,-1.0 4,-2.2 -4,-0.8 3,-2.0 -0.371 64.8 154.2-133.4 56.7 36.9 -24.2 0.4 25 30 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.762 72.9 57.8 -68.4 -20.7 38.6 -20.8 0.9 26 31 A D T 34 S+ 0 0 136 1,-0.2 3,-0.1 -3,-0.1 -5,-0.0 0.638 121.0 26.3 -77.1 -10.0 38.8 -20.0 -2.8 27 32 A L T <4 S+ 0 0 18 -3,-2.0 21,-2.9 1,-0.2 2,-0.4 0.555 117.9 50.3-124.9 -23.1 35.0 -20.4 -3.3 28 33 A I E < +A 47 0A 5 -4,-2.2 2,-0.3 -7,-0.3 -1,-0.2 -0.990 45.5 174.0-130.9 135.6 33.4 -19.6 0.1 29 34 A S E -A 46 0A 60 17,-1.5 17,-2.9 -2,-0.4 2,-0.4 -0.956 20.0-145.8-128.2 156.2 33.6 -16.8 2.7 30 35 A R E +A 45 0A 66 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.945 20.9 164.8-122.1 135.7 31.4 -16.5 5.8 31 36 A T E -A 44 0A 78 13,-2.5 13,-2.6 -2,-0.4 2,-0.4 -0.890 33.0-124.3-134.2 173.4 30.0 -13.5 7.7 32 37 A A E -A 43 0A 49 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.977 15.9-167.0-114.5 131.9 27.3 -12.9 10.3 33 38 A I E - 0 0 36 9,-2.7 2,-0.3 -2,-0.4 10,-0.1 0.502 64.1 -40.0 -98.8 -2.6 24.7 -10.3 9.2 34 39 A G E - 0 0 23 8,-0.4 8,-2.9 5,-0.0 2,-0.3 -0.958 64.0 -92.6 167.3-177.2 23.1 -9.9 12.6 35 40 A T E -A 41 0A 50 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.913 35.4-115.5-125.1 159.7 22.0 -11.8 15.6 36 41 A T > - 0 0 0 4,-2.2 3,-1.6 -2,-0.3 71,-0.1 -0.225 41.0 -88.6 -82.6 175.7 18.6 -13.3 16.4 37 42 A F T 3 S+ 0 0 85 1,-0.3 -1,-0.1 2,-0.1 90,-0.0 0.894 133.4 45.2 -43.5 -48.7 16.2 -12.5 19.2 38 43 A L T 3 S- 0 0 111 2,-0.0 -1,-0.3 1,-0.0 88,-0.0 0.465 124.9-104.1 -82.8 -2.9 18.1 -15.0 21.3 39 44 A G < + 0 0 41 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.625 68.0 147.9 95.8 11.8 21.5 -13.7 20.2 40 45 A N - 0 0 47 1,-0.1 -4,-2.2 2,-0.0 -1,-0.3 -0.616 54.0-105.1 -78.8 144.3 22.6 -16.4 17.8 41 46 A N E -A 35 0A 62 -2,-0.3 2,-1.1 -6,-0.2 -6,-0.2 -0.515 22.4-140.1 -67.1 126.2 24.7 -15.4 14.8 42 47 A I E - 0 0 0 -8,-2.9 -9,-2.7 -2,-0.3 -8,-0.4 -0.754 27.4-154.0 -86.2 98.0 22.9 -15.2 11.5 43 48 A Y E -A 32 0A 26 -2,-1.1 62,-0.4 -11,-0.2 2,-0.4 -0.470 13.1-168.0 -79.4 147.3 25.5 -16.7 9.2 44 49 A L E -A 31 0A 2 -13,-2.6 -13,-2.5 59,-0.2 2,-0.5 -0.999 8.8-150.3-133.4 131.4 25.7 -15.9 5.5 45 50 A L E -AB 30 102A 0 57,-3.1 57,-3.0 -2,-0.4 2,-0.7 -0.854 2.8-153.9-103.8 130.2 27.9 -17.8 3.0 46 51 A K E -AB 29 101A 76 -17,-2.9 -17,-1.5 -2,-0.5 2,-0.6 -0.920 17.3-168.2-101.3 110.2 29.2 -16.0 -0.1 47 52 A V E +AB 28 100A 0 53,-4.0 53,-3.2 -2,-0.7 -19,-0.2 -0.890 38.1 80.9-106.9 121.6 29.8 -18.7 -2.7 48 53 A G S S- 0 0 6 -21,-2.9 48,-0.2 -2,-0.6 51,-0.1 -0.715 78.3 -87.8 159.4 152.8 31.7 -17.7 -5.9 49 54 A K - 0 0 105 46,-2.0 -22,-0.1 49,-0.3 -23,-0.1 -0.713 58.7-102.2 -76.7 128.7 35.3 -17.3 -7.2 50 55 A P + 0 0 105 0, 0.0 -1,-0.1 0, 0.0 48,-0.0 -0.204 59.8 140.7 -45.4 142.5 36.5 -13.6 -6.5 51 56 A G > - 0 0 42 3,-0.0 3,-0.6 -3,-0.0 2,-0.2 -0.945 51.0 -66.3-173.4 176.7 36.4 -11.2 -9.5 52 57 A P T 3 S- 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.481 101.4 -15.3 -82.5 136.8 35.5 -7.6 -10.4 53 58 A N T 3 S- 0 0 164 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 0.834 82.0-176.9 51.5 49.3 32.1 -6.1 -10.2 54 59 A K < - 0 0 18 -3,-0.6 -1,-0.2 1,-0.0 44,-0.2 -0.649 21.6-130.3 -85.0 134.1 30.3 -9.5 -10.0 55 60 A P - 0 0 24 0, 0.0 44,-2.1 0, 0.0 2,-0.3 -0.283 29.3-145.4 -69.3 167.2 26.5 -9.6 -9.9 56 61 A A E -cd 99 185A 2 128,-2.8 130,-3.7 42,-0.2 131,-1.0 -0.964 17.6-149.4-139.7 155.5 24.9 -11.7 -7.2 57 62 A I E -cd 100 187A 2 42,-2.2 44,-2.7 -2,-0.3 2,-0.5 -0.978 19.3-149.9-116.9 135.3 22.0 -13.9 -6.5 58 63 A F E +cd 101 188A 0 129,-2.8 131,-3.5 -2,-0.4 2,-0.4 -0.912 17.6 176.5-109.1 130.7 20.7 -14.0 -2.9 59 64 A M E -cd 102 189A 2 42,-3.3 44,-2.8 -2,-0.5 2,-0.3 -0.994 3.8-175.9-133.5 130.0 19.1 -17.2 -1.5 60 65 A D E -cd 103 190A 0 129,-2.0 131,-3.0 -2,-0.4 2,-0.3 -0.900 1.8-173.4-122.0 153.4 17.8 -17.9 2.0 61 66 A a E + d 0 191A 0 42,-2.3 45,-1.7 -2,-0.3 46,-0.2 -0.858 59.3 45.7-127.4 167.7 16.3 -20.9 3.6 62 67 A G + 0 0 1 129,-0.5 45,-2.2 -2,-0.3 49,-0.2 0.740 52.4 141.2 70.2 26.4 14.8 -21.6 7.0 63 68 A F S S+ 0 0 0 128,-0.5 2,-0.5 43,-0.2 47,-0.1 0.901 76.0 46.7 -52.4 -43.1 12.4 -18.6 7.3 64 69 A H S > S- 0 0 3 1,-0.1 3,-1.6 3,-0.1 59,-0.2 -0.919 83.0-142.1-116.8 127.9 9.9 -21.0 8.9 65 70 A A T 3 S+ 0 0 0 57,-1.4 57,-0.2 -2,-0.5 -1,-0.1 0.817 95.0 49.8 -65.1 -40.4 11.2 -23.3 11.6 66 71 A R T 3 S+ 0 0 41 55,-1.0 2,-1.9 1,-0.2 -1,-0.3 0.579 84.2 92.6 -77.9 -8.5 9.3 -26.5 10.8 67 72 A E X> + 0 0 7 -3,-1.6 3,-2.1 1,-0.2 4,-0.7 -0.393 49.3 164.3 -85.4 63.2 10.2 -26.5 7.1 68 73 A W H 3> + 0 0 28 -2,-1.9 4,-2.1 207,-0.4 -1,-0.2 0.702 67.0 63.1 -62.5 -26.1 13.3 -28.7 7.5 69 74 A I H 3> S+ 0 0 1 206,-0.3 4,-2.0 -3,-0.2 -1,-0.3 0.850 97.9 60.3 -69.0 -27.7 13.7 -29.6 3.9 70 75 A S H <> S+ 0 0 0 -3,-2.1 4,-1.7 2,-0.2 3,-0.3 0.971 106.8 43.8 -59.7 -55.7 14.3 -25.8 3.2 71 76 A H H X S+ 0 0 0 -4,-0.7 4,-1.8 1,-0.3 -1,-0.2 0.904 113.0 53.2 -56.2 -44.8 17.4 -25.7 5.5 72 77 A A H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.875 104.8 56.1 -60.5 -35.8 18.6 -29.0 4.0 73 78 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 -3,-0.3 -1,-0.2 0.897 103.2 51.4 -66.7 -40.9 18.3 -27.5 0.5 74 79 A a H X S+ 0 0 0 -4,-1.7 4,-1.7 30,-0.2 -1,-0.2 0.920 111.7 49.2 -65.8 -37.4 20.6 -24.5 1.2 75 80 A Q H X S+ 0 0 3 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.928 109.9 51.4 -62.2 -43.7 23.2 -26.9 2.5 76 81 A W H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.871 104.9 56.3 -58.7 -41.3 22.7 -29.1 -0.7 77 82 A F H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.949 109.9 44.9 -58.0 -43.8 23.2 -26.1 -2.9 78 83 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.925 110.1 55.6 -65.7 -43.5 26.6 -25.4 -1.3 79 84 A R H X S+ 0 0 56 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.923 110.7 45.4 -47.5 -51.2 27.4 -29.2 -1.5 80 85 A E H X S+ 0 0 16 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.913 109.9 53.8 -64.1 -48.5 26.8 -29.0 -5.2 81 86 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.949 116.1 38.3 -54.4 -49.1 28.8 -25.8 -5.8 82 87 A V H < S+ 0 0 34 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.912 118.7 47.4 -74.2 -36.7 31.9 -27.2 -4.1 83 88 A L H < S+ 0 0 91 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.889 121.6 32.8 -66.9 -41.7 31.6 -30.7 -5.4 84 89 A T H >X S+ 0 0 27 -4,-2.5 4,-2.0 -5,-0.2 3,-1.5 0.535 82.1 120.9-102.6 -11.2 31.0 -29.9 -9.1 85 90 A Y T 3< S+ 0 0 56 -4,-1.5 4,-0.1 -5,-0.3 -4,-0.0 -0.368 86.4 15.5 -51.2 122.5 33.0 -26.6 -9.5 86 91 A G T 34 S+ 0 0 57 2,-0.4 -1,-0.2 -2,-0.1 3,-0.1 -0.063 124.3 61.4 102.7 -32.9 35.6 -27.3 -12.2 87 92 A Y T <4 S+ 0 0 200 -3,-1.5 2,-0.6 1,-0.2 -2,-0.2 0.704 95.8 54.4 -98.4 -25.8 33.8 -30.4 -13.6 88 93 A E S X S- 0 0 51 -4,-2.0 4,-2.1 1,-0.1 -2,-0.4 -0.960 74.2-145.3-117.3 117.4 30.5 -29.2 -14.7 89 94 A S H > S+ 0 0 80 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.790 93.0 49.0 -45.6 -42.5 30.6 -26.3 -17.1 90 95 A H H > S+ 0 0 90 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.953 112.6 43.8 -71.8 -50.0 27.4 -24.5 -15.9 91 96 A M H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.895 114.5 52.9 -63.8 -37.8 28.1 -24.5 -12.2 92 97 A T H X S+ 0 0 23 -4,-2.1 4,-2.3 -8,-0.2 -1,-0.2 0.951 111.0 44.8 -63.3 -52.6 31.7 -23.5 -13.0 93 98 A E H X S+ 0 0 69 -4,-2.3 4,-2.0 2,-0.2 5,-0.3 0.908 112.5 53.5 -52.5 -50.2 30.6 -20.5 -15.2 94 99 A F H X S+ 0 0 4 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.945 112.7 42.4 -50.1 -51.1 28.0 -19.5 -12.5 95 100 A L H < S+ 0 0 0 -4,-2.6 -46,-2.0 1,-0.2 -1,-0.2 0.829 114.6 51.0 -72.0 -31.2 30.6 -19.4 -9.7 96 101 A N H < S+ 0 0 65 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.799 122.3 30.1 -68.6 -35.8 33.2 -17.6 -11.9 97 102 A K H < S+ 0 0 104 -4,-2.0 2,-0.3 -3,-0.2 -2,-0.2 0.677 122.2 34.7-103.9 -24.8 30.8 -14.9 -13.0 98 103 A L < - 0 0 1 -4,-2.6 2,-0.4 -5,-0.3 -49,-0.3 -0.912 66.4-131.8-129.2 159.0 28.3 -14.4 -10.1 99 104 A D E - c 0 56A 15 -44,-2.1 -42,-2.2 -2,-0.3 2,-0.5 -0.897 16.5-150.8-105.6 142.7 28.4 -14.6 -6.4 100 105 A F E -Bc 47 57A 4 -53,-3.2 -53,-4.0 -2,-0.4 2,-0.7 -0.979 1.2-156.8-110.1 118.8 25.7 -16.5 -4.5 101 106 A Y E -Bc 46 58A 23 -44,-2.7 -42,-3.3 -2,-0.5 2,-0.6 -0.918 16.2-170.8 -91.1 117.2 24.8 -15.3 -1.0 102 107 A V E -Bc 45 59A 0 -57,-3.0 -57,-3.1 -2,-0.7 -42,-0.2 -0.955 12.9-169.0-114.7 117.6 23.4 -18.3 0.7 103 108 A L E - c 0 60A 0 -44,-2.8 -42,-2.3 -2,-0.6 3,-0.2 -0.869 6.9-166.7-105.9 100.2 21.8 -17.8 4.1 104 109 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.800 71.8 10.6 -67.2 -31.8 21.3 -21.3 5.4 105 110 A V + 0 0 0 -62,-0.4 3,-0.3 1,-0.1 -43,-0.2 -0.909 54.0 174.6-150.5 113.9 19.0 -20.6 8.2 106 111 A L S S+ 0 0 0 -45,-1.7 2,-1.6 -2,-0.3 3,-0.2 0.941 83.1 47.7 -79.1 -50.6 17.2 -17.2 8.9 107 112 A N > + 0 0 0 -45,-2.2 4,-2.1 1,-0.2 -1,-0.2 -0.589 66.1 158.5 -97.8 70.8 15.0 -18.2 11.8 108 113 A I H > S+ 0 0 0 -2,-1.6 4,-2.6 -3,-0.3 -1,-0.2 0.870 70.3 54.6 -62.6 -35.7 17.6 -20.0 13.9 109 114 A D H > S+ 0 0 3 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.917 110.3 45.2 -70.9 -41.6 15.7 -19.5 17.1 110 115 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 111.4 54.7 -63.2 -40.5 12.6 -21.2 15.7 111 116 A Y H X S+ 0 0 1 -4,-2.1 4,-1.4 1,-0.2 3,-0.3 0.955 107.2 48.5 -61.9 -48.9 14.7 -23.9 14.2 112 117 A I H >X S+ 0 0 55 -4,-2.6 4,-2.0 1,-0.2 3,-0.6 0.929 110.1 53.9 -53.3 -46.2 16.4 -24.8 17.6 113 118 A Y H 3X>S+ 0 0 57 -4,-2.0 4,-2.9 1,-0.2 5,-2.6 0.869 102.8 55.4 -60.7 -35.0 12.9 -24.8 19.1 114 119 A T H 3<5S+ 0 0 6 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.814 112.6 45.2 -68.0 -26.2 11.6 -27.4 16.5 115 120 A W H <<5S+ 0 0 98 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.822 124.1 30.2 -81.7 -31.3 14.5 -29.6 17.6 116 121 A T H <5S- 0 0 88 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.802 136.4 -2.4-101.0 -31.1 14.1 -29.2 21.4 117 122 A K T <5S+ 0 0 168 -4,-2.9 2,-0.3 -5,-0.2 -3,-0.2 0.669 122.5 22.9-135.8 -38.3 10.4 -28.6 22.1 118 123 A N > < - 0 0 60 -5,-2.6 3,-1.8 1,-0.1 -2,-0.1 -0.769 45.8-165.8-153.2 101.1 7.9 -28.4 19.2 119 124 A R T 3 S+ 0 0 53 -2,-0.3 -5,-0.1 1,-0.3 -1,-0.1 0.723 91.2 54.4 -58.7 -24.5 8.5 -29.9 15.8 120 125 A M T 3 S+ 0 0 77 -53,-0.0 -1,-0.3 -6,-0.0 -54,-0.1 0.201 74.0 130.3-102.6 16.0 5.7 -27.9 14.2 121 126 A W < + 0 0 29 -3,-1.8 -55,-1.0 -11,-0.1 -7,-0.1 -0.467 24.7 171.4 -67.3 144.1 6.8 -24.4 15.3 122 127 A R + 0 0 14 -57,-0.2 -57,-1.4 2,-0.1 -1,-0.1 0.719 47.8 68.7-121.0 -45.3 6.8 -21.8 12.4 123 128 A K S S- 0 0 3 -59,-0.2 -58,-0.2 1,-0.2 14,-0.2 0.052 87.7 -86.4 -76.3-179.2 7.3 -18.3 13.8 124 129 A T - 0 0 0 12,-2.4 -1,-0.2 -14,-0.1 -2,-0.1 -0.122 38.9-117.9 -68.8-176.8 10.4 -16.6 15.4 125 130 A R + 0 0 53 10,-0.1 2,-0.1 9,-0.0 -1,-0.1 0.043 68.1 125.7-114.7 25.0 10.8 -17.0 19.2 126 131 A S - 0 0 5 10,-0.1 9,-3.2 1,-0.1 2,-0.1 -0.380 59.1-111.2 -79.1 163.2 10.5 -13.3 20.2 127 132 A T - 0 0 92 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.429 23.0-140.9 -92.3 164.4 8.0 -12.0 22.8 128 133 A N > - 0 0 19 3,-0.4 3,-1.1 5,-0.4 5,-0.0 -0.983 22.2-105.3-129.4 141.4 5.0 -9.9 22.3 129 134 A A T 3 S+ 0 0 104 -2,-0.4 3,-0.1 1,-0.2 0, 0.0 -0.369 99.7 11.8 -58.2 137.5 3.5 -7.0 24.4 130 135 A G T 3 S+ 0 0 93 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.516 119.0 57.2 83.5 5.7 0.4 -7.8 26.3 131 136 A T S < S- 0 0 48 -3,-1.1 -3,-0.4 2,-0.1 -1,-0.1 -0.966 72.9-127.3-156.5 164.8 0.3 -11.6 26.0 132 137 A T S S+ 0 0 133 -2,-0.3 2,-0.1 -5,-0.1 -3,-0.0 0.487 71.5 119.6 -94.8 -6.0 2.5 -14.7 26.7 133 138 A b - 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