==== 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 30-MAR-07 2PCU . COMPND 2 MOLECULE: CARBOXYPEPTIDASE A4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.BAYES,D.FERNANDEZ,M.SOLA,A.MARRERO,S.GARCIA-PIQUE,F.X.AVIL . 311 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.5 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 . 20 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 30.9 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 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 5 A N 0 0 174 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.8 7.4 36.0 -12.8 2 6 A N + 0 0 153 2,-0.1 2,-0.4 15,-0.0 15,-0.0 -0.418 360.0 103.1 -98.6 57.7 5.5 39.2 -11.8 3 7 A F - 0 0 19 -2,-1.0 2,-0.8 14,-0.0 6,-0.0 -0.940 56.9-148.1-137.0 114.6 5.4 39.2 -8.0 4 8 A N > - 0 0 101 -2,-0.4 3,-1.4 1,-0.2 -2,-0.1 -0.708 6.6-166.9 -82.3 108.5 7.8 41.5 -6.1 5 9 A Y T 3 S+ 0 0 39 -2,-0.8 -1,-0.2 1,-0.3 73,-0.1 0.624 85.4 63.8 -73.6 -10.1 8.6 39.7 -2.8 6 10 A G T 3 S+ 0 0 21 277,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.107 97.7 67.4 -97.9 21.1 10.1 42.9 -1.4 7 11 A A S < S- 0 0 27 -3,-1.4 2,-0.3 67,-0.1 0, 0.0 -0.925 86.4-108.2-130.8 158.7 6.7 44.7 -1.5 8 12 A Y - 0 0 46 -2,-0.3 2,-0.3 1,-0.0 -4,-0.1 -0.656 42.6-157.8 -84.1 146.4 3.5 44.3 0.3 9 13 A H - 0 0 41 -2,-0.3 -6,-0.0 -4,-0.1 2,-0.0 -0.868 17.2-101.8-132.0 159.7 0.6 42.9 -1.7 10 14 A S > - 0 0 40 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.284 39.6-109.6 -68.2 160.1 -3.1 42.6 -1.9 11 15 A L H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.930 120.7 51.9 -56.2 -47.1 -5.0 39.4 -0.8 12 16 A E H > S+ 0 0 119 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.899 109.1 50.2 -60.2 -37.4 -5.7 38.6 -4.5 13 17 A A H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 111.0 48.5 -69.2 -39.7 -2.1 39.0 -5.4 14 18 A I H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.941 112.7 47.5 -63.5 -49.2 -0.9 36.7 -2.6 15 19 A Y H X S+ 0 0 21 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.904 111.1 52.7 -62.9 -38.9 -3.5 34.1 -3.5 16 20 A H H X S+ 0 0 110 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.891 108.3 49.1 -61.2 -43.4 -2.5 34.3 -7.2 17 21 A E H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.887 108.2 54.9 -65.3 -38.0 1.2 33.8 -6.3 18 22 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.911 108.7 47.9 -56.1 -43.7 0.2 30.8 -4.2 19 23 A D H X S+ 0 0 75 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.923 110.0 53.4 -64.0 -39.7 -1.6 29.3 -7.3 20 24 A N H X S+ 0 0 34 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.903 108.1 49.7 -60.4 -43.1 1.6 30.1 -9.3 21 25 A I H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 8,-0.2 0.931 112.6 46.9 -61.6 -45.9 3.8 28.2 -6.9 22 26 A A H < S+ 0 0 3 -4,-2.2 7,-0.2 1,-0.2 -2,-0.2 0.884 113.5 48.7 -64.1 -38.0 1.5 25.2 -7.0 23 27 A A H < S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.844 112.5 47.3 -70.1 -34.3 1.3 25.2 -10.8 24 28 A D H < S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.711 124.9 29.9 -83.1 -20.5 5.0 25.5 -11.2 25 29 A F S >X S+ 0 0 65 -4,-1.5 4,-3.1 -5,-0.2 3,-2.1 -0.447 70.3 159.4-133.1 59.0 5.8 22.7 -8.8 26 30 A P T 34 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.662 73.2 54.0 -69.0 -17.2 2.9 20.4 -9.0 27 31 A D T 34 S+ 0 0 157 -3,-0.1 3,-0.1 1,-0.1 -5,-0.1 0.482 123.1 28.1 -88.6 -4.6 4.7 17.3 -7.6 28 32 A L T <4 S+ 0 0 11 -3,-2.1 21,-2.5 1,-0.3 2,-0.4 0.698 118.4 43.2-119.8 -40.5 5.7 19.3 -4.5 29 33 A A E < +A 48 0A 0 -4,-3.1 2,-0.4 -7,-0.2 -1,-0.3 -0.934 54.3 177.4-123.1 135.3 3.2 22.0 -3.7 30 34 A R E -A 47 0A 123 17,-2.0 17,-2.8 -2,-0.4 2,-0.5 -0.998 25.7-132.7-134.8 139.0 -0.6 22.0 -3.8 31 35 A R E -A 46 0A 68 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.814 27.7-171.8 -91.2 127.7 -3.0 24.8 -2.9 32 36 A V E -A 45 0A 44 13,-2.8 13,-2.9 -2,-0.5 2,-0.5 -0.979 20.5-138.7-124.1 129.2 -5.8 23.5 -0.6 33 37 A K E +A 44 0A 130 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.777 22.4 177.9 -81.0 125.8 -8.9 25.5 0.5 34 38 A I E - 0 0 23 9,-2.6 2,-0.3 -2,-0.5 10,-0.1 0.489 57.2 -52.5-109.1 -6.1 -9.4 24.7 4.2 35 39 A G E -A 43 0A 14 8,-0.9 8,-2.6 144,-0.0 2,-0.3 -0.978 58.7 -91.3 163.2-156.5 -12.4 26.9 4.8 36 40 A H E -A 42 0A 78 -2,-0.3 139,-0.2 6,-0.3 2,-0.1 -0.929 28.8-110.9-150.1 164.8 -13.7 30.5 4.4 37 41 A S > - 0 0 0 4,-2.3 3,-2.3 -2,-0.3 6,-0.1 -0.414 43.0 -91.9 -94.4 174.3 -13.8 33.7 6.3 38 42 A F T 3 S+ 0 0 71 1,-0.3 91,-0.1 -2,-0.1 -1,-0.0 0.891 129.8 48.3 -52.2 -40.4 -16.8 35.5 7.8 39 43 A E T 3 S- 0 0 84 2,-0.0 -1,-0.3 1,-0.0 89,-0.0 0.193 124.9-104.0 -89.6 16.4 -17.2 37.5 4.6 40 44 A N < + 0 0 121 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.0 0.830 69.6 148.2 65.8 36.2 -17.0 34.3 2.5 41 45 A R - 0 0 67 1,-0.0 -4,-2.3 0, 0.0 -1,-0.3 -0.828 53.0-106.6 -88.9 142.4 -13.4 34.7 1.2 42 46 A P E -A 36 0A 33 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.382 21.2-139.7 -67.2 146.6 -11.6 31.4 0.7 43 47 A M E -A 35 0A 0 -8,-2.6 -9,-2.6 -6,-0.1 -8,-0.9 -0.956 26.9-169.0-103.0 121.9 -8.9 30.3 3.2 44 48 A Y E -A 33 0A 47 -2,-0.6 63,-0.4 -11,-0.2 2,-0.3 -0.912 12.3-176.0-118.2 136.8 -6.0 28.8 1.3 45 49 A V E -A 32 0A 0 -13,-2.9 -13,-2.8 -2,-0.4 2,-0.5 -0.868 21.5-133.9-114.2 159.6 -3.0 26.8 2.4 46 50 A L E -AB 31 104A 0 58,-2.4 58,-2.4 -2,-0.3 2,-0.5 -0.973 17.4-157.3-106.9 132.5 -0.1 25.5 0.5 47 51 A K E -AB 30 103A 49 -17,-2.8 -17,-2.0 -2,-0.5 2,-0.5 -0.951 3.1-163.1-106.0 126.5 0.9 21.9 1.3 48 52 A F E +AB 29 102A 0 54,-3.0 54,-2.5 -2,-0.5 2,-0.3 -0.937 26.1 152.9-109.9 125.7 4.5 20.9 0.4 49 53 A S - 0 0 16 -21,-2.5 52,-0.1 -2,-0.5 49,-0.1 -0.993 35.0-173.0-156.5 146.3 5.0 17.2 0.3 50 54 A T + 0 0 50 47,-0.6 2,-0.3 -2,-0.3 48,-0.1 0.268 69.0 66.1-122.2 5.7 7.2 14.5 -1.3 51 55 A G - 0 0 14 46,-0.1 5,-0.1 2,-0.1 48,-0.0 -0.959 58.2-151.0-137.9 154.8 5.5 11.3 -0.2 52 55AA K + 0 0 184 -2,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.008 55.4 132.4-113.3 20.5 2.3 9.6 -0.8 53 56 A G - 0 0 47 1,-0.1 3,-0.4 2,-0.0 2,-0.3 -0.206 60.0-117.6 -57.2 159.8 2.3 7.8 2.5 54 57 A V S S+ 0 0 138 1,-0.2 -1,-0.1 0, 0.0 -2,-0.1 -0.806 94.4 14.5 -94.6 150.7 -0.8 7.9 4.6 55 58 A R S S+ 0 0 166 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.807 81.3 177.1 57.3 35.8 -0.5 9.7 8.0 56 59 A R - 0 0 43 -3,-0.4 -1,-0.2 1,-0.1 44,-0.1 -0.425 39.0-100.8 -66.4 140.8 2.8 11.4 7.1 57 60 A P - 0 0 23 0, 0.0 44,-2.9 0, 0.0 2,-0.3 -0.304 47.7-163.0 -60.7 152.8 3.9 13.7 10.0 58 61 A A E -cd 101 186A 0 127,-2.1 129,-3.1 42,-0.2 130,-1.1 -0.951 20.4-150.5-138.6 157.4 3.2 17.4 9.4 59 62 A V E -cd 102 188A 2 42,-2.2 44,-2.8 -2,-0.3 2,-0.5 -0.985 16.2-145.1-123.8 144.3 4.1 20.9 10.6 60 63 A W E -cd 103 189A 0 128,-2.3 130,-3.0 -2,-0.4 2,-0.5 -0.922 8.6-165.5-110.3 125.9 1.7 23.8 10.4 61 64 A L E -cd 104 190A 4 42,-2.7 44,-3.0 -2,-0.5 2,-0.4 -0.963 12.5-169.2-112.7 117.9 3.0 27.3 9.6 62 65 A N E +cd 105 191A 2 128,-3.4 130,-3.1 -2,-0.5 2,-0.3 -0.838 10.2 167.5-111.7 135.1 0.5 30.1 10.4 63 66 A A E + d 0 192A 0 42,-1.7 45,-2.6 -2,-0.4 46,-0.2 -0.990 51.2 26.7-142.8 159.2 0.7 33.7 9.5 64 67 A G + 0 0 0 128,-0.9 45,-1.0 -2,-0.3 49,-0.1 0.763 58.3 140.6 69.1 31.1 -1.4 36.8 9.3 65 68 A I S S+ 0 0 5 127,-0.5 2,-0.6 43,-0.2 47,-0.1 0.887 74.9 51.8 -72.6 -29.4 -3.9 36.0 12.1 66 69 A H S > S- 0 0 0 1,-0.1 3,-2.0 3,-0.1 -1,-0.2 -0.901 86.4-148.8-107.3 114.2 -3.7 39.6 13.1 67 70 A S T 3 S+ 0 0 0 57,-1.3 57,-0.2 -2,-0.6 -1,-0.1 0.774 87.8 57.5 -64.9 -29.4 -4.3 41.6 10.0 68 71 A R T 3 S+ 0 0 0 55,-0.8 2,-2.0 1,-0.2 -1,-0.3 0.588 82.1 89.9 -72.1 -7.9 -2.1 44.7 10.7 69 72 A E X> + 0 0 0 -3,-2.0 3,-2.4 1,-0.2 4,-0.7 -0.420 53.6 166.8 -92.7 64.4 1.1 42.6 11.2 70 73 A W H 3> + 0 0 28 -2,-2.0 4,-2.1 206,-0.4 -1,-0.2 0.698 63.8 67.2 -56.6 -29.7 1.9 42.8 7.5 71 74 A I H 3> S+ 0 0 0 205,-0.2 4,-2.3 -3,-0.2 -1,-0.3 0.800 95.8 60.2 -64.1 -23.8 5.4 41.5 7.8 72 75 A S H <> S+ 0 0 0 -3,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.953 107.9 40.3 -69.3 -47.1 3.9 38.1 8.8 73 76 A Q H X S+ 0 0 0 -4,-0.7 4,-2.3 1,-0.2 5,-0.2 0.917 117.2 50.9 -69.3 -37.8 2.0 37.6 5.5 74 77 A A H X S+ 0 0 10 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.902 111.4 47.0 -65.4 -39.2 4.9 39.0 3.5 75 78 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.907 111.4 53.4 -68.9 -38.7 7.3 36.6 5.2 76 79 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.919 108.6 46.3 -63.3 -44.6 5.0 33.7 4.7 77 80 A I H X S+ 0 0 5 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.915 112.9 50.5 -69.3 -33.4 4.6 34.1 0.9 78 81 A W H X S+ 0 0 24 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.910 107.8 54.8 -62.0 -42.4 8.4 34.6 0.6 79 82 A T H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.893 103.5 55.2 -61.7 -41.9 8.8 31.3 2.6 80 83 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.916 111.4 43.9 -52.6 -48.0 6.5 29.5 0.1 81 84 A R H X S+ 0 0 52 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.881 111.7 53.8 -68.3 -37.0 8.8 30.5 -2.7 82 85 A K H X S+ 0 0 44 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.902 106.4 52.0 -65.0 -39.7 11.9 29.7 -0.7 83 86 A I H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.941 114.4 41.5 -63.9 -49.6 10.7 26.1 0.0 84 87 A V H < S+ 0 0 4 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.892 115.8 50.6 -67.8 -34.6 10.0 25.3 -3.6 85 88 A S H < S+ 0 0 34 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.888 115.2 41.4 -67.2 -39.9 13.2 27.1 -4.8 86 89 A D H >X S+ 0 0 34 -4,-2.3 3,-2.9 -5,-0.2 4,-1.6 0.622 81.5 117.1 -92.0 -12.9 15.5 25.3 -2.4 87 90 A Y T 3< S+ 0 0 60 -4,-1.4 -59,-0.0 1,-0.3 5,-0.0 -0.391 93.3 7.5 -55.3 126.5 14.0 21.8 -2.7 88 91 A Q T 34 S+ 0 0 148 2,-0.4 -1,-0.3 -2,-0.1 -2,-0.1 0.557 124.5 72.8 67.9 15.9 16.8 19.5 -4.1 89 92 A R T <4 S+ 0 0 200 -3,-2.9 -2,-0.2 1,-0.3 -3,-0.1 0.435 98.5 40.1-126.3 -9.6 19.2 22.4 -3.8 90 93 A D X - 0 0 31 -4,-1.6 4,-2.1 1,-0.1 -2,-0.4 -0.969 68.5-150.4-140.8 114.9 19.6 22.4 0.0 91 94 A P H > S+ 0 0 107 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.711 93.9 61.9 -57.8 -25.2 19.9 19.1 1.9 92 95 A A H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.991 111.2 33.4 -68.5 -58.7 18.3 20.7 5.0 93 96 A I H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.869 119.0 56.4 -66.8 -31.7 14.9 21.6 3.5 94 97 A T H X S+ 0 0 34 -4,-2.1 4,-1.4 -8,-0.2 -1,-0.2 0.933 110.3 42.2 -62.5 -43.3 15.1 18.5 1.3 95 98 A S H X S+ 0 0 22 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.827 111.0 56.3 -77.7 -29.1 15.5 16.2 4.2 96 99 A I H >X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-1.0 0.967 111.4 44.0 -56.1 -52.3 12.8 18.1 6.1 97 100 A L H 3< S+ 0 0 0 -4,-2.6 -47,-0.6 1,-0.3 -2,-0.2 0.747 105.9 63.8 -65.7 -26.2 10.5 17.4 3.2 98 101 A E H 3< S+ 0 0 118 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.825 115.9 28.4 -56.8 -38.8 11.7 13.8 3.1 99 102 A K H << S+ 0 0 72 -4,-1.1 2,-0.3 -3,-1.0 -2,-0.2 0.590 125.3 23.4-107.8 -17.9 10.3 13.2 6.5 100 103 A M < - 0 0 1 -4,-1.7 2,-0.3 -5,-0.1 -42,-0.2 -0.986 65.1-119.8-150.2 156.1 7.3 15.5 6.9 101 104 A D E - c 0 58A 5 -44,-2.9 -42,-2.2 -2,-0.3 2,-0.5 -0.694 24.9-146.5 -90.8 151.9 4.7 17.6 5.1 102 105 A I E -Bc 48 59A 0 -54,-2.5 -54,-3.0 -2,-0.3 2,-0.4 -0.986 8.0-164.4-120.0 128.4 4.6 21.3 5.6 103 106 A F E -Bc 47 60A 2 -44,-2.8 -42,-2.7 -2,-0.5 2,-0.4 -0.922 8.9-166.8-109.8 132.8 1.3 23.3 5.5 104 107 A L E -Bc 46 61A 2 -58,-2.4 -58,-2.4 -2,-0.4 -42,-0.2 -0.992 12.5-173.3-126.3 120.8 1.6 27.1 5.1 105 108 A L E + c 0 62A 0 -44,-3.0 -42,-1.7 -2,-0.4 3,-0.4 -0.904 5.6 179.2-111.2 92.1 -1.3 29.5 5.7 106 109 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 -30,-0.2 0.848 76.8 32.9 -69.1 -29.6 -0.0 32.9 4.6 107 110 A V + 0 0 1 -63,-0.4 -43,-0.2 1,-0.1 -63,-0.2 -0.781 60.2 168.4-128.5 90.3 -3.2 34.8 5.4 108 111 A A S S+ 0 0 5 -45,-2.6 -43,-0.2 -2,-0.4 -44,-0.2 0.688 81.9 39.6 -77.2 -13.0 -5.1 33.4 8.4 109 112 A N > + 0 0 1 -45,-1.0 4,-2.1 -46,-0.2 -1,-0.3 -0.701 66.3 166.9-134.2 77.7 -7.4 36.4 8.6 110 113 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.893 75.6 51.9 -64.5 -38.9 -8.3 37.4 5.0 111 114 A D H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.927 111.5 47.4 -66.2 -41.5 -11.2 39.8 5.9 112 115 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 110.7 53.1 -62.6 -40.9 -9.1 41.7 8.4 113 116 A Y H X S+ 0 0 2 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.946 108.6 48.3 -66.2 -45.0 -6.2 41.9 5.8 114 117 A V H >X S+ 0 0 25 -4,-2.5 4,-1.3 1,-0.2 3,-0.6 0.935 110.2 53.7 -56.7 -41.9 -8.5 43.4 3.2 115 118 A Y H 3X>S+ 0 0 58 -4,-2.3 4,-2.9 1,-0.2 5,-2.4 0.887 106.0 52.1 -60.7 -39.8 -9.8 45.9 5.8 116 119 A T H 3<5S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.775 113.0 45.9 -67.1 -24.7 -6.2 47.0 6.6 117 120 A Q H <<5S+ 0 0 78 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.661 127.5 24.4 -88.1 -18.7 -5.6 47.6 2.9 118 121 A T H <5S+ 0 0 87 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.2 0.644 134.8 7.7-122.0 -22.8 -8.8 49.5 2.2 119 122 A Q T <5S+ 0 0 139 -4,-2.9 2,-0.3 -5,-0.3 -3,-0.2 0.682 123.4 11.2-135.8 -45.2 -10.1 51.1 5.4 120 123 A N > < - 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