==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUN-09 3I1U . COMPND 2 MOLECULE: CARBOXYPEPTIDASE A1 (PANCREATIC); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.FERNANDEZ . 303 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 31.7 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 0 1 1 0 0 1 0 2 0 0 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 . 1 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 3 A S >> 0 0 57 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 175.2 -9.0 28.7 21.4 2 4 A T T 34 + 0 0 0 1,-0.2 21,-0.0 2,-0.2 17,-0.0 0.587 360.0 59.9 -72.0 -8.2 -6.9 25.6 22.0 3 5 A N T 34 S+ 0 0 115 1,-0.1 -1,-0.2 3,-0.0 0, 0.0 0.571 109.2 39.4 -94.9 -11.9 -9.0 25.0 25.1 4 6 A T T <4 S+ 0 0 115 -3,-1.0 -2,-0.2 2,-0.0 -1,-0.1 0.423 92.2 116.3-107.4 -6.0 -12.2 24.8 23.0 5 7 A F < - 0 0 31 -4,-0.8 2,-0.9 1,-0.1 -3,-0.0 -0.380 69.3-124.6 -66.2 138.5 -10.6 22.8 20.2 6 8 A N > + 0 0 88 1,-0.2 3,-0.8 -2,-0.1 -1,-0.1 -0.755 29.1 177.1 -90.1 101.7 -11.8 19.2 19.6 7 9 A Y T 3 S+ 0 0 40 -2,-0.9 -1,-0.2 1,-0.2 72,-0.1 0.587 73.7 67.7 -77.8 -10.8 -8.8 16.9 19.9 8 10 A A T 3 S+ 0 0 43 276,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.057 94.5 62.6-101.0 22.6 -11.0 13.8 19.4 9 11 A T S < S- 0 0 54 -3,-0.8 2,-0.3 66,-0.1 0, 0.0 -0.966 86.4-101.8-141.0 159.3 -12.0 14.5 15.8 10 12 A Y - 0 0 42 -2,-0.3 2,-0.2 1,-0.0 -2,-0.1 -0.616 40.8-154.6 -82.4 141.7 -10.2 14.8 12.4 11 13 A H - 0 0 29 -2,-0.3 2,-0.1 60,-0.2 64,-0.1 -0.715 12.1-115.0-118.6 163.4 -9.6 18.3 11.1 12 14 A T > - 0 0 50 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.378 39.4-101.4 -83.5 168.4 -9.1 20.2 7.8 13 15 A L H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.934 123.0 50.0 -55.2 -49.4 -5.9 22.0 6.8 14 16 A D H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.880 108.5 52.4 -60.7 -39.4 -7.3 25.4 7.7 15 17 A E H > S+ 0 0 83 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 111.6 46.6 -64.9 -36.2 -8.5 24.2 11.2 16 18 A I H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.917 112.7 48.4 -72.6 -42.5 -5.0 22.8 11.9 17 19 A Y H X S+ 0 0 19 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.914 111.5 50.9 -62.8 -41.3 -3.2 26.0 10.7 18 20 A D H X S+ 0 0 93 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.901 105.9 56.3 -59.1 -43.0 -5.7 28.0 12.8 19 21 A F H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.901 104.0 53.5 -56.1 -44.0 -4.9 25.8 15.8 20 22 A M H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.929 109.3 48.0 -57.7 -45.6 -1.2 26.8 15.4 21 23 A D H X S+ 0 0 72 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.898 111.2 50.6 -63.1 -40.6 -2.0 30.5 15.5 22 24 A L H X S+ 0 0 66 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.912 110.6 48.8 -63.3 -42.8 -4.2 30.0 18.6 23 25 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.893 111.8 48.6 -65.2 -42.1 -1.4 28.1 20.4 24 26 A V H < S+ 0 0 37 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.889 111.3 50.5 -64.2 -41.0 1.2 30.7 19.6 25 27 A A H < S+ 0 0 79 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.885 115.2 43.5 -63.2 -37.9 -1.2 33.5 20.8 26 28 A E H < S+ 0 0 61 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.812 125.4 31.0 -76.2 -33.3 -1.8 31.7 24.1 27 29 A H >X + 0 0 59 -4,-2.1 4,-2.5 -5,-0.2 3,-1.9 -0.432 64.6 154.9-128.1 58.2 1.8 30.7 24.7 28 30 A P T 34 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.735 74.2 57.0 -62.7 -23.7 4.1 33.4 23.3 29 31 A Q T 34 S+ 0 0 173 -3,-0.1 3,-0.1 1,-0.1 -5,-0.1 0.529 121.0 26.2 -82.6 -5.5 7.0 32.6 25.7 30 32 A L T <4 S+ 0 0 20 -3,-1.9 21,-2.3 1,-0.3 2,-0.4 0.671 115.6 49.0-124.4 -34.3 7.1 29.0 24.6 31 33 A V E < +A 50 0A 4 -4,-2.5 2,-0.3 19,-0.2 -1,-0.3 -0.943 50.0 173.4-125.2 132.4 5.8 28.5 21.0 32 34 A S E -A 49 0A 47 17,-2.0 17,-2.7 -2,-0.4 2,-0.6 -0.953 27.2-127.5-130.4 159.0 6.5 30.3 17.7 33 35 A K E -A 48 0A 59 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.919 24.6-169.0-109.8 118.8 5.4 29.5 14.2 34 36 A L E -A 47 0A 51 13,-3.1 13,-2.6 -2,-0.6 2,-0.6 -0.848 15.9-145.7-107.1 140.7 8.1 29.3 11.5 35 37 A Q E +A 46 0A 99 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.931 19.1 176.1-103.0 115.5 7.5 29.2 7.7 36 38 A I E - 0 0 27 9,-2.2 2,-0.3 -2,-0.6 10,-0.1 0.465 59.6 -44.4-100.7 -2.4 10.2 26.9 6.2 37 39 A G E -A 45 0A 18 8,-0.7 8,-2.4 140,-0.0 2,-0.4 -0.976 60.3 -84.2 166.5-172.4 9.0 27.0 2.6 38 40 A R E -A 44 0A 109 -2,-0.3 138,-0.1 6,-0.2 -3,-0.0 -0.955 38.2-118.1-121.8 145.2 6.0 26.8 0.3 39 41 A S > - 0 0 5 4,-3.0 3,-1.7 -2,-0.4 6,-0.1 -0.218 40.5 -93.6 -68.5 170.8 4.4 23.6 -1.0 40 42 A Y T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.913 130.0 45.8 -51.1 -45.1 4.3 22.8 -4.8 41 43 A E T 3 S- 0 0 95 1,-0.0 -1,-0.3 88,-0.0 -2,-0.0 0.408 126.9 -99.5 -85.9 1.8 0.8 24.5 -5.0 42 44 A G S < S+ 0 0 37 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.0 0.580 71.8 143.1 98.7 12.6 1.9 27.5 -2.9 43 45 A R - 0 0 75 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.3 -0.559 57.1-102.4 -79.6 147.5 0.6 26.7 0.6 44 46 A P E -A 38 0A 22 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.453 25.5-139.7 -70.3 144.6 2.8 27.7 3.5 45 47 A I E -A 37 0A 0 -8,-2.4 -9,-2.2 -2,-0.1 -8,-0.7 -0.947 26.4-161.7-105.2 116.3 4.8 25.0 5.2 46 48 A Y E -A 35 0A 40 -2,-0.6 2,-0.4 62,-0.3 62,-0.4 -0.838 17.2-173.9-111.2 138.0 4.8 25.6 9.0 47 49 A V E -A 34 0A 0 -13,-2.6 -13,-3.1 -2,-0.4 2,-0.5 -0.988 19.6-139.5-123.7 130.5 6.9 24.3 11.8 48 50 A L E -AB 33 105A 0 57,-2.9 57,-2.8 -2,-0.4 2,-0.6 -0.825 15.3-153.6 -88.3 125.6 6.1 25.0 15.5 49 51 A K E -AB 32 104A 66 -17,-2.7 -17,-2.0 -2,-0.5 2,-0.5 -0.907 6.1-165.6 -99.9 120.1 9.2 25.8 17.5 50 52 A F E +AB 31 103A 0 53,-3.0 53,-2.3 -2,-0.6 2,-0.3 -0.948 26.9 149.2-104.4 121.2 9.0 25.0 21.3 51 53 A S - 0 0 17 -21,-2.3 51,-0.1 -2,-0.5 48,-0.1 -0.993 44.9-160.3-156.2 142.2 11.8 26.7 23.2 52 54 A T S S- 0 0 48 46,-0.7 2,-0.3 -2,-0.3 47,-0.1 0.357 70.5 -83.2-101.0 0.5 12.5 28.1 26.6 53 55 A G S S+ 0 0 31 -23,-0.1 4,-0.3 48,-0.0 -1,-0.2 -0.989 74.5 117.4 139.2-146.5 15.5 30.1 25.3 54 56 A G - 0 0 59 -2,-0.3 2,-0.4 -3,-0.1 47,-0.0 -0.087 65.1 -88.8 68.8-175.1 19.2 29.7 24.5 55 57 A S S S- 0 0 117 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.991 96.4 -12.5-135.0 128.4 20.7 30.1 21.1 56 58 A N S S- 0 0 86 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 0.852 86.6-172.2 51.8 41.4 20.9 27.2 18.6 57 59 A R - 0 0 63 -4,-0.3 45,-0.1 1,-0.1 129,-0.1 -0.236 37.6 -83.2 -60.0 151.0 20.1 24.7 21.4 58 60 A P - 0 0 43 0, 0.0 44,-1.9 0, 0.0 2,-0.3 -0.305 63.8-151.5 -51.9 140.3 20.4 21.0 20.7 59 61 A A E -cd 102 187A 0 127,-2.1 129,-3.1 42,-0.2 130,-1.3 -0.874 24.9-142.5-132.8 153.0 17.1 20.1 19.0 60 62 A I E -cd 103 189A 0 42,-2.4 44,-3.0 -2,-0.3 2,-0.5 -0.966 19.9-154.1-109.1 125.1 14.5 17.4 18.3 61 63 A W E +cd 104 190A 0 128,-2.4 130,-3.0 -2,-0.5 2,-0.4 -0.869 15.1 177.8 -97.1 131.4 12.9 17.3 14.9 62 64 A I E -cd 105 191A 0 42,-2.7 44,-3.0 -2,-0.5 2,-0.3 -0.967 2.1-177.9-134.0 119.3 9.4 15.7 14.6 63 65 A D E -cd 106 192A 0 128,-2.5 130,-2.7 -2,-0.4 2,-0.3 -0.904 0.8-179.5-116.3 148.8 7.4 15.5 11.3 64 66 A L E + d 0 193A 0 42,-2.3 45,-2.3 -2,-0.3 46,-0.2 -0.931 58.8 30.6-136.9 155.8 3.9 14.1 10.8 65 67 A G + 0 0 0 128,-0.7 45,-0.8 -2,-0.3 49,-0.1 0.707 57.9 141.0 70.1 22.4 1.7 13.8 7.7 66 68 A I S S+ 0 0 2 127,-0.5 2,-0.6 1,-0.2 75,-0.3 0.881 79.1 49.7 -62.3 -32.5 4.4 13.4 5.0 67 69 A H S > S- 0 0 3 1,-0.1 3,-1.8 3,-0.1 -1,-0.2 -0.935 90.0-149.9-104.4 113.0 2.0 10.9 3.5 68 70 A S T 3 S+ 0 0 0 57,-0.9 57,-0.2 -2,-0.6 6,-0.1 0.782 86.7 59.3 -62.5 -35.7 -1.3 12.8 3.5 69 71 A R T 3 S+ 0 0 15 55,-1.2 2,-2.0 1,-0.2 -1,-0.3 0.565 79.0 92.7 -68.8 -11.6 -3.8 9.9 3.9 70 72 A E X> + 0 0 5 -3,-1.8 3,-2.4 1,-0.2 4,-0.6 -0.399 52.7 167.2 -84.1 64.3 -2.3 8.9 7.3 71 73 A W H 3> + 0 0 34 -2,-2.0 4,-1.9 206,-0.4 -1,-0.2 0.716 63.3 68.4 -58.3 -30.4 -4.7 11.1 9.2 72 74 A I H 3> S+ 0 0 2 205,-0.2 4,-2.0 -3,-0.2 -1,-0.3 0.808 97.2 58.3 -58.0 -27.2 -4.0 9.7 12.6 73 75 A T H <> S+ 0 0 0 -3,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.953 105.4 43.3 -73.0 -49.2 -0.6 11.4 12.3 74 76 A Q H X S+ 0 0 1 -4,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.905 115.8 51.7 -61.4 -38.6 -1.7 15.0 11.8 75 77 A A H X S+ 0 0 14 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.892 109.9 48.0 -63.9 -40.9 -4.2 14.5 14.6 76 78 A T H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.868 108.2 56.8 -65.6 -37.4 -1.5 13.1 16.9 77 79 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.896 105.6 49.1 -60.8 -44.2 0.7 16.1 16.0 78 80 A V H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.930 112.2 49.0 -59.7 -46.3 -2.0 18.6 17.1 79 81 A W H X S+ 0 0 32 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.925 109.4 52.4 -61.3 -44.3 -2.4 16.7 20.4 80 82 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.919 106.6 53.9 -54.3 -47.9 1.4 16.7 20.9 81 83 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.926 112.4 42.4 -58.0 -45.9 1.6 20.5 20.4 82 84 A K H X S+ 0 0 15 -4,-1.9 4,-1.5 1,-0.2 3,-0.2 0.927 112.5 54.8 -65.7 -43.6 -1.0 21.1 23.1 83 85 A K H X S+ 0 0 45 -4,-2.7 4,-2.7 1,-0.2 3,-0.3 0.887 102.4 56.6 -57.7 -43.0 0.5 18.5 25.4 84 86 A F H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.915 108.8 47.0 -56.0 -44.4 3.9 20.2 25.2 85 87 A T H < S+ 0 0 13 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.769 114.1 47.8 -70.4 -26.9 2.4 23.5 26.5 86 88 A E H < S+ 0 0 99 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.870 115.3 43.1 -77.7 -39.0 0.5 21.7 29.3 87 89 A D H >X S+ 0 0 25 -4,-2.7 4,-2.4 -5,-0.2 3,-2.3 0.698 82.6 102.1 -88.9 -20.5 3.4 19.7 30.6 88 90 A Y T 3< S+ 0 0 71 -4,-1.7 7,-0.0 1,-0.3 -4,-0.0 -0.519 99.5 12.5 -66.4 121.8 6.2 22.2 30.6 89 91 A G T 34 S+ 0 0 46 2,-0.4 -1,-0.3 -2,-0.4 -2,-0.1 0.417 129.6 59.3 90.4 0.8 6.6 23.3 34.2 90 92 A Q T <4 S+ 0 0 156 -3,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.664 92.1 57.3-123.6 -53.9 4.4 20.4 35.4 91 93 A D S X S- 0 0 51 -4,-2.4 4,-2.4 1,-0.1 -2,-0.4 -0.769 72.3-147.1 -84.9 121.9 6.0 17.1 34.3 92 94 A P H > S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.903 94.4 46.6 -54.9 -46.7 9.6 16.8 35.7 93 95 A S H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -2,-0.0 0.939 115.3 43.4 -64.6 -49.7 10.9 14.8 32.8 94 96 A F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.877 111.2 56.1 -65.2 -35.3 9.5 17.0 30.0 95 97 A T H X S+ 0 0 26 -4,-2.4 4,-1.8 -8,-0.2 -1,-0.2 0.936 107.0 50.0 -60.2 -45.3 10.5 20.1 31.9 96 98 A A H X S+ 0 0 50 -4,-2.1 4,-0.8 -5,-0.2 -1,-0.2 0.883 110.0 51.7 -60.1 -40.0 14.1 18.9 31.9 97 99 A I H >X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 3,-1.1 0.968 113.1 41.6 -61.6 -52.9 13.9 18.2 28.1 98 100 A L H 3< S+ 0 0 0 -4,-2.5 -46,-0.7 1,-0.3 -1,-0.2 0.703 108.0 62.1 -73.8 -17.9 12.6 21.7 27.1 99 101 A D H 3< S+ 0 0 72 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.727 120.6 24.8 -70.9 -23.3 15.0 23.4 29.6 100 102 A S H << S+ 0 0 65 -3,-1.1 2,-0.3 -4,-0.8 -2,-0.2 0.608 125.5 36.6-113.5 -22.2 17.9 21.9 27.6 101 103 A M < - 0 0 5 -4,-2.4 2,-0.3 -5,-0.1 -42,-0.2 -0.924 64.8-129.4-136.7 155.4 16.6 21.4 24.1 102 104 A D E - c 0 59A 4 -44,-1.9 -42,-2.4 -2,-0.3 2,-0.4 -0.777 19.2-145.9 -98.1 151.4 14.2 22.8 21.5 103 105 A I E -Bc 50 60A 0 -53,-2.3 -53,-3.0 -2,-0.3 2,-0.6 -0.981 6.0-162.7-118.5 129.9 11.5 20.8 19.7 104 106 A F E -Bc 49 61A 5 -44,-3.0 -42,-2.7 -2,-0.4 2,-0.5 -0.963 11.9-170.3-112.9 116.3 10.6 21.5 16.1 105 107 A L E -Bc 48 62A 1 -57,-2.8 -57,-2.9 -2,-0.6 2,-0.7 -0.933 12.9-171.0-116.8 115.9 7.2 20.0 15.2 106 108 A E E + c 0 63A 0 -44,-3.0 -42,-2.3 -2,-0.5 3,-0.3 -0.886 7.0 179.1-107.3 102.1 5.9 19.9 11.6 107 109 A I S S+ 0 0 0 -2,-0.7 2,-0.5 -61,-0.3 -30,-0.2 0.850 76.1 32.0 -74.1 -37.7 2.3 18.7 11.9 108 110 A V + 0 0 2 -62,-0.4 -62,-0.3 1,-0.1 -1,-0.3 -0.785 63.3 169.4-125.2 86.3 1.4 18.8 8.2 109 111 A T S S+ 0 0 1 -45,-2.3 -43,-0.2 -2,-0.5 -44,-0.2 0.756 80.7 36.8 -72.3 -22.8 4.5 17.9 6.2 110 112 A N > + 0 0 1 -45,-0.8 4,-2.1 -46,-0.2 -1,-0.3 -0.727 67.6 167.8-129.8 76.4 2.5 17.5 2.9 111 113 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.837 75.1 54.9 -66.5 -31.8 -0.2 20.2 2.9 112 114 A D H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.939 111.5 44.9 -65.7 -46.4 -1.2 19.8 -0.8 113 115 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 111.8 53.6 -59.7 -42.2 -1.8 16.1 -0.3 114 116 A F H X S+ 0 0 5 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.943 108.7 47.7 -61.8 -47.9 -3.7 16.8 2.9 115 117 A A H >X S+ 0 0 19 -4,-2.6 4,-2.3 1,-0.2 3,-1.0 0.925 110.8 53.5 -56.0 -42.0 -6.0 19.3 1.2 116 118 A F H 3X>S+ 0 0 40 -4,-2.2 5,-2.6 1,-0.3 4,-2.6 0.826 101.1 59.0 -65.4 -33.4 -6.5 16.7 -1.6 117 119 A T H 3<5S+ 0 0 6 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.746 112.9 40.3 -66.5 -24.0 -7.5 14.0 0.9 118 120 A H H <<5S+ 0 0 72 -3,-1.0 -2,-0.2 -4,-1.0 -1,-0.2 0.815 124.4 35.1 -87.9 -37.7 -10.4 16.3 2.1 119 121 A S H <5S- 0 0 79 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.781 135.9 -7.5 -89.6 -29.2 -11.4 17.6 -1.3 120 122 A Q T <5S+ 0 0 146 -4,-2.6 2,-0.3 -5,-0.2 -3,-0.2 0.670 122.0 25.2-139.2 -45.7 -11.0 14.7 -3.8 121 123 A N > < - 0 0 71 -5,-2.6 3,-1.9 1,-0.1 -2,-0.1 -0.836 46.7-163.6-148.5 100.7 -9.3 11.5 -2.7 122 124 A R T 3 S+ 0 0 57 -2,-0.3 -5,-0.1 1,-0.3 -1,-0.1 0.703 92.8 51.7 -56.0 -24.8 -9.1 10.3 0.9 123 125 A L T 3 S+ 0 0 78 -53,-0.1 -1,-0.3 -55,-0.0 -54,-0.2 0.229 73.3 138.9-104.7 15.4 -6.3 7.9 0.1 124 126 A W < + 0 0 44 -3,-1.9 -55,-1.2 -11,-0.1 -7,-0.1 -0.388 20.4 171.5 -62.3 134.3 -3.9 10.2 -1.6 125 127 A R + 0 0 19 -57,-0.2 -57,-0.9 -58,-0.1 16,-0.2 0.769 47.3 66.4-110.1 -43.2 -0.3 9.6 -0.5 126 128 A K S S- 0 0 12 1,-0.2 -58,-0.2 -59,-0.2 14,-0.2 0.037 83.9 -92.6 -83.1 179.0 2.1 11.6 -2.6 127 129 A T - 0 0 0 12,-2.5 -1,-0.2 -15,-0.1 -2,-0.1 -0.062 37.2-117.9 -68.7-171.5 2.8 15.3 -3.2 128 130 A R + 0 0 39 10,-0.1 -1,-0.0 2,-0.1 2,-0.0 0.086 57.5 145.0-120.7 24.3 0.9 17.1 -5.9 129 131 A S - 0 0 10 8,-0.1 9,-3.0 10,-0.1 2,-0.5 -0.350 53.5-114.8 -66.9 141.8 3.9 18.1 -8.2 130 132 A V B -H 137 0B 100 7,-0.2 2,-0.5 -90,-0.1 7,-0.1 -0.664 26.7-144.0 -80.4 124.0 3.2 18.1 -11.9 131 133 A T > - 0 0 12 5,-0.9 3,-1.2 -2,-0.5 5,-0.1 -0.794 19.8-115.9 -92.8 127.0 5.2 15.5 -13.8 132 134 A S T 3 S+ 0 0 68 -2,-0.5 3,-0.1 1,-0.3 -1,-0.0 -0.333 94.3 3.0 -60.4 135.8 6.5 16.4 -17.2 133 135 A S T 3 S+ 0 0 137 1,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.828 110.6 109.0 55.7 38.1 5.1 14.3 -20.1 134 136 A S < - 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