==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TERNARY COMPLEX (ZYMOGEN) 21-JUN-95 1PYT . COMPND 2 MOLECULE: PROCARBOXYPEPTIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR F.X.GOMIS-RUTH,M.GOMEZ,W.BODE,R.HUBER,F.X.AVILES . 902 4 11 11 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 182 20.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.0 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 . 2 0.2 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 . 86 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 4 0 0 2 1 1 1 0 0 2 2 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 9 3 8 6 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 2 3 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 4 A K 0 0 107 0, 0.0 217,-0.2 0, 0.0 216,-0.1 0.000 360.0 360.0 360.0 159.6 16.8 96.9 -18.3 2 5 A E - 0 0 85 215,-3.1 2,-0.5 1,-0.1 217,-0.1 -0.120 360.0-131.6 -55.5 148.5 20.2 96.6 -16.7 3 6 A D + 0 0 46 1,-0.1 -1,-0.1 2,-0.1 430,-0.0 -0.888 33.1 162.4-104.3 130.1 23.3 95.9 -18.8 4 7 A F > + 0 0 3 -2,-0.5 3,-2.2 3,-0.1 74,-1.4 0.224 18.7 146.2-131.5 13.8 25.6 93.1 -17.8 5 8 A V T 3 S+ 0 0 6 1,-0.3 48,-0.3 72,-0.2 3,-0.1 -0.315 79.4 3.3 -55.2 125.5 27.6 92.5 -20.9 6 9 A G T 3 S+ 0 0 7 1,-0.2 -1,-0.3 46,-0.1 452,-0.0 0.445 92.6 137.7 80.7 -3.3 31.1 91.5 -19.9 7 10 A H < - 0 0 21 -3,-2.2 70,-1.0 45,-0.1 2,-0.3 -0.289 37.4-154.0 -68.2 166.0 30.5 91.5 -16.1 8 11 A Q E -A 51 0A 20 43,-1.5 43,-2.6 68,-0.2 2,-0.5 -0.997 15.4-141.6-147.3 143.1 32.1 88.6 -14.2 9 12 A V E -AB 50 74A 0 65,-1.8 65,-1.7 -2,-0.3 64,-1.4 -0.922 27.6-165.5-104.9 130.9 31.4 86.8 -11.0 10 13 A L E -AB 49 72A 0 39,-2.2 39,-1.6 -2,-0.5 2,-0.7 -0.844 18.9-136.7-115.2 153.0 34.6 86.0 -9.2 11 14 A R E -AB 48 71A 51 60,-2.9 60,-1.0 -2,-0.3 37,-0.2 -0.880 25.7-170.1-113.4 96.1 35.3 83.6 -6.3 12 15 A I E -AB 47 70A 2 35,-3.4 35,-2.1 -2,-0.7 2,-0.4 -0.581 6.2-162.7 -84.5 152.0 37.6 85.2 -3.9 13 16 A T E - B 0 69A 48 56,-1.7 2,-0.8 -2,-0.2 56,-0.6 -0.934 3.4-161.3-136.2 107.7 39.2 83.2 -1.0 14 17 A A - 0 0 2 31,-0.5 30,-1.6 -2,-0.4 31,-0.1 -0.862 7.7-156.5 -92.5 114.1 40.7 85.1 1.8 15 18 A A S S+ 0 0 67 -2,-0.8 2,-0.3 28,-0.2 -1,-0.2 0.937 70.9 5.6 -55.8 -51.8 42.9 82.7 3.6 16 19 A D S >> S- 0 0 86 -3,-0.1 3,-1.8 27,-0.1 4,-1.3 -0.919 91.2 -84.6-136.5 164.2 42.8 84.5 6.9 17 20 A E H 3> S+ 0 0 94 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.717 125.0 60.0 -33.1 -37.5 41.1 87.4 8.6 18 21 A A H 3> S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.957 103.6 47.3 -60.2 -53.0 43.8 89.7 7.1 19 22 A E H <> S+ 0 0 49 -3,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.832 110.9 56.4 -60.8 -24.5 42.9 88.7 3.6 20 23 A V H X S+ 0 0 2 -4,-1.3 4,-1.6 2,-0.2 3,-0.5 0.926 102.1 51.7 -72.9 -48.1 39.2 89.3 4.6 21 24 A Q H X S+ 0 0 112 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.853 109.1 53.2 -59.3 -33.0 39.7 92.9 5.8 22 25 A T H < S+ 0 0 23 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.812 106.0 50.0 -73.8 -31.3 41.4 93.8 2.4 23 26 A V H >< S+ 0 0 0 -4,-1.1 3,-0.6 -3,-0.5 4,-0.2 0.799 112.7 50.3 -75.1 -22.9 38.5 92.4 0.3 24 27 A K H >X S+ 0 0 80 -4,-1.6 4,-1.3 1,-0.2 3,-1.0 0.776 98.2 64.9 -80.2 -29.9 36.3 94.6 2.5 25 28 A E T 3< S+ 0 0 95 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.506 102.9 50.8 -71.4 -0.3 38.6 97.6 1.9 26 29 A L T <4 S+ 0 0 2 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.539 100.7 62.2-107.3 -17.4 37.3 97.2 -1.6 27 30 A E T <4 S+ 0 0 83 -3,-1.0 -2,-0.2 -4,-0.2 -3,-0.1 0.803 96.3 57.7 -78.0 -34.1 33.7 97.1 -0.5 28 31 A D S < S+ 0 0 116 -4,-1.3 2,-2.1 1,-0.1 -1,-0.2 0.805 83.1 94.4 -63.7 -32.6 34.0 100.7 0.9 29 32 A L > - 0 0 33 1,-0.2 3,-1.8 -5,-0.2 4,-0.4 -0.425 57.2-178.1 -66.0 81.2 35.0 101.8 -2.6 30 33 A E G > S+ 0 0 165 -2,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.838 70.5 67.9 -51.8 -41.8 31.5 102.8 -3.7 31 34 A H G 3 S+ 0 0 53 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.652 88.5 66.7 -57.4 -19.5 32.6 103.8 -7.2 32 34BA L G < S- 0 0 2 -3,-1.8 -1,-0.3 -6,-0.2 23,-0.2 0.742 90.0-147.0 -72.8 -26.4 33.4 100.1 -8.2 33 34CA Q < - 0 0 130 -3,-1.7 2,-0.2 -4,-0.4 -2,-0.1 0.906 24.2-175.1 56.3 52.2 29.8 99.1 -7.9 34 35 A L - 0 0 36 -5,-0.3 2,-0.7 -8,-0.2 17,-0.2 -0.488 19.5-152.1 -77.8 141.3 30.5 95.6 -6.7 35 36 A D E -C 50 0A 13 15,-2.5 15,-3.1 -2,-0.2 2,-0.9 -0.903 13.1-151.6-114.7 97.0 27.5 93.3 -6.3 36 37 A F E > +C 49 0A 33 -2,-0.7 3,-0.5 13,-0.3 13,-0.3 -0.611 18.8 177.8 -74.0 104.9 28.6 90.9 -3.6 37 38 A W E 3 S+ 0 0 16 -2,-0.9 12,-0.2 11,-0.6 2,-0.2 0.815 89.0 16.7 -74.0 -31.7 26.7 87.6 -4.3 38 39 A R E 3 S-C 48 0A 50 10,-3.2 10,-0.7 -3,-0.1 -1,-0.3 -0.646 95.2-155.6-140.7 74.1 28.4 85.9 -1.3 39 40 A G < - 0 0 16 -3,-0.5 9,-0.1 8,-0.2 -15,-0.0 0.073 36.0 -61.0 -47.4 165.1 29.7 88.8 0.7 40 41 A P + 0 0 16 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.104 66.9 144.6 -51.6 141.0 32.7 88.5 3.1 41 42 A G - 0 0 15 1,-0.3 302,-0.2 4,-0.1 3,-0.1 -0.438 54.9 -14.0-147.2-138.8 32.5 86.2 6.1 42 47 A Q S > S- 0 0 87 300,-1.0 3,-1.3 -2,-0.1 -1,-0.3 -0.484 83.7 -95.6 -71.8 149.1 34.7 83.9 8.1 43 48 A P T 3 S+ 0 0 48 0, 0.0 -28,-0.2 0, 0.0 -1,-0.1 -0.327 112.6 40.1 -63.0 154.4 38.0 83.3 6.2 44 49 A G T 3 S+ 0 0 53 -30,-1.6 -29,-0.1 1,-0.4 -28,-0.1 -0.133 90.3 104.3 98.8 -40.7 37.8 80.0 4.2 45 50 A S S < S- 0 0 38 -3,-1.3 -31,-0.5 1,-0.1 -1,-0.4 -0.259 82.1 -98.1 -69.8 156.4 34.2 80.6 3.1 46 51 A P - 0 0 28 0, 0.0 2,-0.6 0, 0.0 -33,-0.2 -0.607 24.8-151.9 -83.2 149.0 33.8 81.7 -0.5 47 52 A I E -A 12 0A 5 -35,-2.1 -35,-3.4 -2,-0.2 2,-0.5 -0.972 15.6-172.0-117.7 103.7 33.3 85.4 -1.5 48 53 A D E +AC 11 38A 0 -10,-0.7 -10,-3.2 -2,-0.6 -11,-0.6 -0.889 11.7 169.3 -98.7 135.5 31.4 85.5 -4.8 49 54 A V E -AC 10 36A 2 -39,-1.6 -39,-2.2 -2,-0.5 2,-0.6 -0.994 33.4-137.4-148.0 143.3 31.1 89.0 -6.3 50 55 A R E -AC 9 35A 25 -15,-3.1 -15,-2.5 -2,-0.3 -41,-0.3 -0.946 24.8-166.9-101.3 117.3 29.9 90.4 -9.6 51 56 A V E -A 8 0A 0 -43,-2.6 -43,-1.5 -2,-0.6 -17,-0.1 -0.946 21.4-121.1-110.3 122.3 32.3 93.1 -10.6 52 57 A P >> - 0 0 8 0, 0.0 3,-0.7 0, 0.0 4,-0.7 -0.168 27.6-106.0 -53.8 155.3 31.2 95.4 -13.5 53 58 A F H >> S+ 0 0 25 -48,-0.3 3,-1.1 1,-0.2 4,-0.5 0.887 117.2 51.9 -57.2 -42.8 33.3 95.5 -16.6 54 59 A P H 34 S+ 0 0 43 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.841 115.9 41.6 -66.8 -23.8 34.8 98.9 -16.0 55 60 A S H <> S+ 0 0 3 -3,-0.7 4,-2.0 -23,-0.2 5,-0.2 0.438 93.0 97.4 -99.2 6.9 35.9 97.9 -12.5 56 61 A L H S+ 0 0 8 -4,-0.3 4,-1.3 1,-0.2 566,-0.3 0.839 109.5 48.5 -62.5 -38.3 41.3 97.3 -11.5 59 64 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.959 111.7 49.8 -68.8 -46.0 39.6 94.9 -9.0 60 65 A K H >X S+ 0 0 4 -4,-2.0 4,-3.0 1,-0.2 3,-0.5 0.973 112.0 45.0 -54.6 -64.2 41.7 91.9 -10.3 61 66 A V H 3X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.3 -1,-0.2 0.807 110.8 56.4 -51.8 -31.2 45.1 93.7 -10.1 62 67 A F H 3X S+ 0 0 15 -4,-1.3 4,-0.8 -5,-0.3 -1,-0.3 0.967 114.0 39.7 -62.4 -50.3 44.0 95.0 -6.6 63 68 A L H X<>S+ 0 0 0 -4,-2.5 3,-1.7 -3,-0.5 5,-1.3 0.981 117.2 47.9 -59.9 -60.6 43.5 91.3 -5.7 64 69 A E H ><5S+ 0 0 35 -4,-3.0 3,-2.4 1,-0.3 -2,-0.2 0.902 109.4 54.2 -47.4 -50.3 46.6 90.0 -7.5 65 70 A A H 3<5S+ 0 0 50 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.683 109.5 48.1 -58.6 -27.2 48.8 92.8 -5.9 66 71 A H T <<5S- 0 0 93 -3,-1.7 -1,-0.3 -4,-0.8 -2,-0.2 0.296 115.5-116.2 -96.8 5.7 47.6 91.7 -2.5 67 72 A G T < 5 + 0 0 55 -3,-2.4 2,-0.5 -4,-0.3 -3,-0.2 0.962 63.3 150.4 58.0 52.0 48.3 88.1 -3.2 68 73 A I < - 0 0 7 -5,-1.3 2,-0.3 -54,-0.1 -1,-0.2 -0.981 41.0-129.2-120.3 127.0 44.7 87.1 -2.9 69 74 A R E +B 13 0A 193 -56,-0.6 -56,-1.7 -2,-0.5 2,-0.3 -0.589 33.8 159.1 -84.5 136.0 43.4 84.2 -4.9 70 75 A Y E -B 12 0A 13 -2,-0.3 2,-0.3 -58,-0.2 -58,-0.2 -0.989 19.0-161.0-149.1 151.1 40.3 84.3 -7.1 71 76 A R E -B 11 0A 123 -60,-1.0 -60,-2.9 -2,-0.3 2,-0.7 -0.850 32.0-105.9-130.0 161.6 38.9 82.3 -10.0 72 77 A I E +B 10 0A 31 -2,-0.3 -62,-0.2 -62,-0.2 3,-0.2 -0.859 34.2 175.2 -96.4 110.2 36.3 83.3 -12.5 73 78 A M E S+ 0 0 26 -64,-1.4 2,-0.5 -2,-0.7 -63,-0.2 0.898 77.7 22.9 -75.6 -52.0 33.0 81.5 -11.8 74 79 A I E -B 9 0A 10 -65,-1.7 -65,-1.8 1,-0.1 -1,-0.3 -0.992 66.9-165.4-121.3 122.5 30.9 83.2 -14.4 75 80 A E S S+ 0 0 105 -2,-0.5 2,-0.2 1,-0.3 -1,-0.1 0.764 81.0 11.4 -78.6 -33.7 32.8 84.7 -17.4 76 81 A D > - 0 0 8 1,-0.1 4,-0.9 -71,-0.0 3,-0.5 -0.758 61.5-167.0-150.6 99.8 30.0 86.9 -18.8 77 82 A V H >> S+ 0 0 0 -70,-1.0 4,-2.0 -3,-0.3 3,-0.8 0.874 86.4 61.5 -57.0 -40.3 26.9 87.4 -16.7 78 83 A Q H 3> S+ 0 0 8 -74,-1.4 4,-2.4 1,-0.3 -1,-0.2 0.900 99.1 57.2 -58.3 -38.8 24.8 88.9 -19.6 79 84 A S H 3> S+ 0 0 31 -3,-0.5 4,-0.9 -75,-0.2 -1,-0.3 0.835 107.0 47.5 -60.9 -32.5 25.2 85.7 -21.5 80 85 A L H XX S+ 0 0 25 -4,-0.9 4,-2.6 -3,-0.8 3,-1.4 0.968 112.2 48.3 -67.7 -56.3 23.6 83.6 -18.7 81 86 A L H 3X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.3 5,-0.2 0.877 108.1 58.1 -50.9 -37.9 20.7 86.0 -18.3 82 87 A D H 3X S+ 0 0 69 -4,-2.4 4,-1.0 -5,-0.3 -1,-0.3 0.804 108.0 44.5 -63.5 -34.0 20.4 85.8 -22.1 83 88 A E H < S+ 0 0 45 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.956 109.1 54.0 -64.9 -47.2 10.2 82.6 -23.8 90 95 A A H 3< S+ 0 0 14 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.765 113.3 46.6 -57.0 -24.9 10.5 79.2 -25.4 91 96 A S T 3< S+ 0 0 16 -4,-1.8 2,-0.5 -3,-0.1 -1,-0.3 0.005 82.8 130.0-109.9 31.3 8.3 77.9 -22.5 92 97 A Q < + 0 0 62 -3,-1.7 625,-1.0 623,-0.1 626,-0.5 -0.734 19.1 123.0 -99.9 129.4 5.4 80.4 -22.4 93 98 A S 0 0 27 -2,-0.5 10,-0.1 623,-0.2 -2,-0.0 -0.967 360.0 360.0-162.9 169.4 1.7 79.6 -22.3 94 99 A R 0 0 113 -2,-0.3 3,-0.3 8,-0.1 622,-0.1 -0.926 360.0 360.0-105.4 360.0 -1.4 80.2 -20.3 95 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 96 1 B A 0 0 17 0, 0.0 6,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 131.3 -2.2 77.1 -18.3 97 2 B R + 0 0 205 -3,-0.3 2,-0.3 1,-0.0 5,-0.0 0.631 360.0 20.6 -92.8 -10.6 -5.9 76.5 -18.0 98 3 B S S > S- 0 0 34 -4,-0.0 3,-0.8 25,-0.0 4,-0.1 -0.877 83.6-112.2-143.1 171.0 -5.4 74.1 -15.2 99 4 B T T 3 S+ 0 0 1 -2,-0.3 655,-0.2 1,-0.2 80,-0.0 0.435 110.5 72.6 -90.3 3.0 -2.7 73.5 -12.8 100 5 B N T 3 S+ 0 0 48 1,-0.2 653,-2.6 653,-0.1 -1,-0.2 0.307 106.0 35.3 -95.5 2.9 -2.1 70.1 -14.5 101 6 B T S < S+ 0 0 55 -3,-0.8 2,-0.3 651,-0.2 -2,-0.2 0.234 85.8 122.3-134.8 6.9 -0.6 71.8 -17.5 102 7 B F S S- 0 0 15 -4,-0.1 2,-0.8 1,-0.1 -8,-0.1 -0.582 70.1-117.4 -73.4 134.2 1.2 74.7 -15.8 103 8 B N + 0 0 35 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 -0.645 34.4 177.0 -78.8 107.1 4.9 74.6 -16.7 104 9 B Y + 0 0 11 -2,-0.8 -1,-0.2 1,-0.2 72,-0.1 0.510 69.0 76.1 -85.9 -4.2 6.8 74.1 -13.4 105 10 B A S S+ 0 0 36 276,-0.1 2,-0.3 -14,-0.1 -1,-0.2 -0.184 90.8 49.8-103.7 39.3 10.1 73.9 -15.3 106 11 B T S S- 0 0 3 -3,-0.4 2,-0.4 66,-0.1 -22,-0.0 -0.888 89.1 -90.0-156.6 179.4 10.6 77.6 -16.1 107 12 B Y - 0 0 8 -2,-0.3 2,-0.3 -23,-0.2 -2,-0.1 -0.867 41.5-149.8-105.5 138.9 10.6 80.9 -14.3 108 13 B H - 0 0 23 -2,-0.4 2,-0.2 -4,-0.1 64,-0.1 -0.753 11.1-118.4-110.2 160.0 7.4 82.9 -14.0 109 14 B T > - 0 0 40 -2,-0.3 4,-2.2 1,-0.1 5,-0.3 -0.487 41.2-100.3 -86.3 158.8 6.3 86.6 -13.7 110 15 B L H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.902 123.7 52.8 -45.6 -45.1 4.4 87.9 -10.7 111 16 B D H >> S+ 0 0 108 2,-0.2 4,-2.6 1,-0.2 3,-0.7 0.966 106.5 48.4 -56.2 -61.5 1.2 87.6 -12.7 112 17 B E H 3> S+ 0 0 35 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.856 112.9 50.3 -50.3 -39.2 1.6 84.0 -13.7 113 18 B I H 3X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -1,-0.3 0.888 110.5 49.5 -68.4 -35.9 2.4 83.1 -10.2 114 19 B Y H X S+ 0 0 3 -4,-1.9 4,-2.3 -5,-0.3 3,-0.8 0.961 101.5 55.2 -64.3 -47.8 -1.5 79.9 -10.5 117 22 B M H 3X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.3 -1,-0.2 0.843 107.5 53.0 -52.0 -34.6 -2.6 80.5 -6.8 118 23 B D H 3X S+ 0 0 71 -4,-1.0 4,-2.6 2,-0.2 -1,-0.3 0.792 108.9 45.6 -70.8 -39.3 -6.1 81.1 -8.2 119 24 B L H X S+ 0 0 44 -4,-2.7 4,-2.4 -3,-0.4 3,-2.2 -0.338 70.8 161.1-123.8 61.1 -9.0 72.2 -4.5 125 30 B P T 34 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.707 74.7 53.2 -50.9 -30.0 -11.5 74.4 -2.7 126 31 B Q T 34 S+ 0 0 139 -3,-0.1 22,-0.1 1,-0.1 3,-0.1 0.756 119.3 32.4 -81.8 -21.7 -11.7 72.2 0.2 127 32 B L T <4 S+ 0 0 12 -3,-2.2 21,-2.6 -6,-0.2 2,-0.3 0.809 114.0 49.1-103.6 -35.5 -8.0 72.1 0.8 128 33 B V E < +D 147 0B 5 -4,-2.4 2,-0.3 -7,-0.2 19,-0.2 -0.867 50.6 177.5-116.2 148.3 -6.6 75.5 -0.2 129 34 B S E -D 146 0B 40 17,-1.5 17,-3.4 -2,-0.3 2,-0.7 -0.996 23.3-135.2-147.9 135.0 -7.5 79.1 0.5 130 35 B K E -D 145 0B 59 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.835 22.7-171.4 -99.2 111.3 -5.8 82.4 -0.6 131 36 B L E -D 144 0B 54 13,-2.8 13,-2.4 -2,-0.7 2,-0.6 -0.688 15.7-145.1 -99.5 146.8 -5.4 85.0 2.1 132 37 B Q E -D 143 0B 88 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.971 13.9-175.9-112.0 113.9 -4.2 88.6 1.5 133 38 B I E - 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