==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-11 3QOC . COMPND 2 MOLECULE: PUTATIVE METALLOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR B.NOCEK,A.STEIN,N.MARSHALL,R.PUTAGUNTA,B.FELDMANN,A.JOACHIMI . 507 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 8.3 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 . 4 0.8 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 . 33 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 8 5 0 4 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 3 0 4 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 . 1 0 0 8 0 0 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 4 0 0 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 A 0 0 153 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.5 27.5 24.6 46.2 2 4 A P - 0 0 126 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.186 360.0 -84.7 -84.6 169.4 27.6 24.4 42.5 3 5 A L - 0 0 163 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.459 60.3-101.6 -56.0 130.6 28.8 26.6 39.6 4 6 A A - 0 0 86 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.151 42.1 -95.1 -56.7 152.3 26.0 28.9 38.7 5 7 A D - 0 0 70 1,-0.1 -1,-0.1 -3,-0.1 0, 0.0 -0.443 39.3-112.6 -66.9 143.1 23.9 28.1 35.6 6 8 A T > - 0 0 70 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.332 25.6-115.1 -65.8 152.3 24.8 29.7 32.3 7 9 A R H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.775 117.9 59.0 -53.9 -28.5 22.3 32.2 31.0 8 10 A F H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 104.7 49.1 -73.5 -39.3 21.7 29.9 28.0 9 11 A L H > S+ 0 0 60 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.945 112.1 50.9 -61.4 -42.6 20.6 27.1 30.5 10 12 A Q H X S+ 0 0 104 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.863 108.9 49.0 -61.8 -37.9 18.3 29.7 32.1 11 13 A R H X S+ 0 0 32 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.858 112.0 49.2 -70.5 -38.4 16.8 30.7 28.8 12 14 A R H X S+ 0 0 13 -4,-1.9 4,-3.0 26,-0.2 -2,-0.2 0.953 109.5 52.0 -63.4 -48.2 16.1 27.1 27.9 13 15 A R H X S+ 0 0 106 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.933 109.7 49.8 -54.6 -46.8 14.6 26.5 31.3 14 16 A A H X S+ 0 0 53 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.902 112.4 47.0 -62.0 -40.8 12.2 29.5 30.8 15 17 A L H >< S+ 0 0 3 -4,-2.0 3,-0.9 1,-0.2 4,-0.5 0.915 109.1 54.7 -65.2 -45.6 11.2 28.2 27.3 16 18 A S H >< S+ 0 0 9 -4,-3.0 3,-1.2 1,-0.3 4,-0.5 0.895 106.5 52.4 -53.2 -37.0 10.7 24.7 28.7 17 19 A A H 3< S+ 0 0 80 -4,-2.1 4,-0.4 1,-0.2 -1,-0.3 0.724 101.8 59.2 -72.8 -23.8 8.3 26.2 31.2 18 20 A Q T >S+ 0 0 0 -3,-1.2 5,-1.4 -4,-0.5 4,-0.6 0.946 82.0 55.6 -76.8 -52.3 5.5 24.6 26.8 20 22 A A H >45S+ 0 0 90 -4,-0.5 3,-1.6 1,-0.2 -1,-0.2 0.925 111.1 48.7 -36.0 -58.3 2.6 23.2 29.0 21 23 A A H 345S+ 0 0 98 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.794 110.1 48.3 -59.5 -34.5 0.7 26.5 28.3 22 24 A K H <<5S- 0 0 64 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.466 114.9-123.0 -83.8 1.4 1.3 26.3 24.5 23 25 A R T <<5 + 0 0 54 -3,-1.6 2,-0.3 -4,-0.6 -3,-0.2 0.926 68.3 121.3 54.6 54.2 0.2 22.6 24.8 24 26 A I < - 0 0 8 -5,-1.4 -1,-0.2 1,-0.0 73,-0.2 -0.943 59.0-145.1-138.7 160.8 3.3 21.0 23.3 25 27 A D S S+ 0 0 65 71,-2.9 27,-2.4 -2,-0.3 2,-0.3 0.521 84.3 6.7 -97.4 -17.9 6.0 18.5 24.5 26 28 A A E -Ab 51 97A 0 70,-1.1 72,-3.0 25,-0.3 2,-0.5 -0.968 63.8-133.4-163.2 155.6 9.0 20.1 22.7 27 29 A X E -Ab 50 98A 2 23,-2.5 23,-2.9 -2,-0.3 2,-0.7 -0.977 9.1-153.2-122.6 129.7 9.9 23.1 20.7 28 30 A L E -Ab 49 99A 2 70,-2.3 72,-0.6 -2,-0.5 2,-0.6 -0.902 15.1-160.8 -99.6 113.8 11.8 23.0 17.5 29 31 A V E +A 48 0A 0 19,-3.5 19,-1.8 -2,-0.7 70,-0.0 -0.860 24.8 158.5-101.2 120.9 13.7 26.3 17.0 30 32 A T + 0 0 25 -2,-0.6 2,-0.4 17,-0.2 16,-0.2 0.578 42.8 99.1-115.5 -20.1 14.8 27.1 13.5 31 33 A H > - 0 0 55 1,-0.1 4,-2.2 2,-0.1 3,-0.4 -0.575 69.6-139.6 -73.6 126.7 15.3 30.9 13.5 32 34 A L H > S+ 0 0 55 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.828 97.2 51.6 -63.5 -41.5 19.0 31.5 14.0 33 35 A T H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 111.3 52.0 -66.4 -31.1 19.0 34.4 16.4 34 36 A H H > S+ 0 0 2 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.945 108.9 48.9 -65.3 -42.6 16.7 32.4 18.6 35 37 A I H X>S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 5,-0.5 0.904 112.6 49.1 -64.6 -39.1 19.1 29.4 18.5 36 38 A R H X5S+ 0 0 47 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.926 110.0 49.9 -64.8 -44.3 21.9 31.7 19.4 37 39 A Y H <5S+ 0 0 13 -4,-2.3 -2,-0.2 458,-0.2 -1,-0.2 0.899 118.2 40.3 -60.6 -43.2 20.0 33.3 22.3 38 40 A L H <5S+ 0 0 2 -4,-2.4 -26,-0.2 -5,-0.1 -2,-0.2 0.698 133.4 15.3 -83.2 -17.6 19.1 29.8 23.6 39 41 A S H <5S- 0 0 2 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.698 88.2-117.6-130.4 -28.2 22.5 28.0 23.1 40 42 A G << + 0 0 12 -4,-1.9 2,-0.4 -5,-0.5 -4,-0.2 0.329 64.6 140.3 98.8 -7.5 25.4 30.4 22.4 41 43 A F - 0 0 1 -6,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.620 28.9-175.8 -78.2 122.9 26.0 28.9 18.9 42 44 A T + 0 0 54 -2,-0.4 -1,-0.1 -3,-0.1 457,-0.1 0.256 40.8 113.6-100.9 6.1 26.9 31.7 16.5 43 45 A G S S- 0 0 11 2,-0.1 456,-0.1 1,-0.1 -7,-0.1 -0.099 72.1-114.7 -76.1-174.9 27.0 29.9 13.1 44 46 A S S S+ 0 0 48 1,-0.2 2,-0.3 289,-0.2 -12,-0.1 0.340 93.4 48.4-109.6 3.3 24.7 30.3 10.2 45 47 A N + 0 0 28 16,-0.1 16,-0.4 -13,-0.1 2,-0.3 -0.942 69.5 117.0-148.9 122.0 23.0 26.9 10.0 46 48 A A - 0 0 6 -2,-0.3 2,-0.3 -16,-0.2 14,-0.2 -0.952 36.1-153.0-166.8 162.8 21.4 25.0 12.9 47 49 A A E - C 0 59A 1 12,-1.6 12,-2.9 -2,-0.3 2,-0.4 -0.951 15.7-162.4-144.8 155.4 18.2 23.6 14.4 48 50 A L E -AC 29 58A 0 -19,-1.8 -19,-3.5 -2,-0.3 2,-0.5 -0.998 7.5-158.7-146.9 127.0 17.5 23.1 18.1 49 51 A I E -AC 28 57A 9 8,-2.8 8,-1.9 -2,-0.4 2,-0.5 -0.966 6.9-168.9-113.4 124.3 14.9 21.0 19.9 50 52 A I E -AC 27 56A 1 -23,-2.9 -23,-2.5 -2,-0.5 6,-0.2 -0.981 12.7-155.3-111.3 119.8 14.0 21.9 23.5 51 53 A N E > -A 26 0A 24 4,-2.5 3,-1.6 -2,-0.5 -25,-0.3 -0.511 26.6-114.7 -93.1 158.1 11.9 19.3 25.4 52 54 A K T 3 S+ 0 0 49 -27,-2.4 -26,-0.1 1,-0.3 -1,-0.1 0.899 114.5 61.2 -53.2 -42.5 9.5 19.8 28.4 53 55 A D T 3 S- 0 0 113 -28,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.267 120.7-107.0 -73.5 13.4 11.8 17.7 30.7 54 56 A L S < S+ 0 0 105 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.388 80.5 126.1 78.6 -6.3 14.6 20.2 30.1 55 57 A S - 0 0 50 -5,-0.0 -4,-2.5 20,-0.0 2,-0.3 -0.371 37.7-173.1 -78.1 167.2 16.7 18.1 27.8 56 58 A A E -C 50 0A 21 -6,-0.2 20,-0.5 18,-0.1 2,-0.3 -0.974 16.8-158.5-156.3 156.5 17.8 19.5 24.4 57 59 A R E -Cd 49 76A 60 -8,-1.9 -8,-2.8 -2,-0.3 2,-0.3 -0.988 10.1-160.8-147.1 142.5 19.5 18.5 21.2 58 60 A I E -Cd 48 77A 0 18,-2.3 20,-1.7 -2,-0.3 2,-0.4 -0.877 3.2-160.8-127.6 146.2 21.2 20.7 18.6 59 61 A S E +Cd 47 78A 0 -12,-2.9 -12,-1.6 -2,-0.3 2,-0.3 -0.991 16.9 153.0-132.6 147.8 22.0 20.0 15.0 60 62 A T E - d 0 79A 0 18,-1.6 20,-2.4 -2,-0.4 -14,-0.2 -0.946 40.4 -89.2-158.1 169.7 24.4 21.6 12.5 61 63 A D > - 0 0 0 -16,-0.4 3,-1.6 -2,-0.3 4,-0.3 -0.245 48.3 -92.6 -81.1 176.3 26.4 20.7 9.3 62 64 A G G > S+ 0 0 18 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.781 118.7 66.2 -66.2 -25.1 30.0 19.4 9.1 63 65 A R G 3 S+ 0 0 30 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.823 108.4 39.9 -64.0 -23.8 31.6 22.8 8.9 64 66 A Y G <> S+ 0 0 24 -3,-1.6 4,-2.5 1,-0.1 5,-0.3 0.315 80.5 103.0-113.8 8.6 30.4 23.6 12.4 65 67 A I H <> S+ 0 0 53 -3,-0.9 4,-1.5 -4,-0.3 5,-0.2 0.920 88.9 42.8 -61.2 -45.5 31.0 20.3 14.4 66 68 A T H > S+ 0 0 119 -4,-0.4 4,-1.7 1,-0.2 3,-0.2 0.963 115.9 49.3 -63.9 -45.9 34.1 21.6 16.1 67 69 A Q H > S+ 0 0 61 -4,-0.3 4,-3.2 1,-0.2 5,-0.2 0.848 109.0 50.9 -65.9 -37.1 32.7 25.0 16.7 68 70 A I H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.846 107.8 52.3 -71.2 -33.7 29.4 23.7 18.3 69 71 A A H < S+ 0 0 60 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.904 116.3 42.4 -64.2 -37.3 31.2 21.4 20.7 70 72 A E H < S+ 0 0 156 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.914 123.1 35.2 -75.9 -42.8 33.2 24.5 21.7 71 73 A Q H < S+ 0 0 63 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.755 129.3 32.7 -85.8 -22.3 30.4 27.0 21.9 72 74 A V >< + 0 0 3 -4,-2.2 3,-1.0 -5,-0.2 -1,-0.2 -0.602 64.4 156.9-132.4 73.8 27.7 24.7 23.1 73 75 A P T 3 + 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.657 69.9 60.7 -81.1 -5.2 29.4 22.1 25.4 74 76 A D T 3 S+ 0 0 81 -35,-0.2 2,-0.4 -3,-0.1 -18,-0.1 0.327 93.3 66.3-104.7 4.8 26.1 21.3 27.3 75 77 A I S < S- 0 0 12 -3,-1.0 -18,-0.1 -6,-0.1 2,-0.1 -0.990 82.5-119.6-130.2 130.9 23.9 20.0 24.4 76 78 A E E -d 57 0A 136 -20,-0.5 -18,-2.3 -2,-0.4 2,-0.3 -0.413 35.2-143.5 -63.1 137.8 24.4 16.8 22.4 77 79 A S E -d 58 0A 49 -20,-0.2 2,-0.4 -2,-0.1 -18,-0.2 -0.759 13.7-158.8-112.4 152.5 24.9 17.5 18.7 78 80 A L E -d 59 0A 37 -20,-1.7 -18,-1.6 -2,-0.3 2,-0.4 -0.996 18.7-135.0-130.3 126.5 23.8 15.7 15.6 79 81 A X E +d 60 0A 131 -2,-0.4 2,-0.3 -20,-0.2 -18,-0.2 -0.686 39.5 148.9 -82.1 133.0 25.6 16.4 12.3 80 82 A A - 0 0 15 -20,-2.4 3,-0.3 -2,-0.4 -2,-0.1 -0.949 49.7-141.5-159.5 138.2 23.3 16.9 9.3 81 83 A R S S+ 0 0 139 -2,-0.3 2,-0.9 1,-0.2 -1,-0.1 0.966 110.6 41.8 -57.1 -49.0 23.3 18.8 6.0 82 84 A N S > S- 0 0 113 1,-0.2 4,-1.7 -3,-0.1 -1,-0.2 -0.789 81.9-174.9-107.0 91.6 19.6 19.5 6.6 83 85 A C H > S+ 0 0 5 -2,-0.9 4,-2.1 -3,-0.3 5,-0.2 0.860 70.1 45.4 -64.4 -51.5 19.4 20.2 10.3 84 86 A A H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.948 113.3 48.4 -66.9 -46.4 15.7 20.5 11.3 85 87 A P H > S+ 0 0 35 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.888 110.2 54.0 -61.1 -34.9 14.5 17.5 9.4 86 88 A A H X S+ 0 0 28 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.902 109.5 45.5 -69.1 -43.5 17.2 15.3 10.9 87 89 A L H >< S+ 0 0 4 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.944 114.9 49.7 -56.7 -47.5 16.4 16.3 14.5 88 90 A L H >< S+ 0 0 1 -4,-2.5 3,-1.9 1,-0.3 29,-0.4 0.912 104.4 56.2 -63.5 -38.2 12.7 15.7 13.8 89 91 A S H 3< S+ 0 0 66 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.714 101.6 60.3 -70.2 -18.1 13.2 12.3 12.2 90 92 A D T << S+ 0 0 72 -3,-0.9 2,-0.4 -4,-0.7 -1,-0.3 0.511 80.8 103.3 -84.7 -5.3 15.0 11.1 15.4 91 93 A I < - 0 0 28 -3,-1.9 2,-0.5 -4,-0.3 26,-0.3 -0.690 61.9-149.3 -82.0 128.1 11.9 11.8 17.7 92 94 A N - 0 0 146 -2,-0.4 -2,-0.1 2,-0.1 -3,-0.0 -0.868 40.0 -82.9 -97.0 125.3 10.0 8.6 18.7 93 95 A G S S+ 0 0 39 -2,-0.5 27,-0.2 27,-0.1 2,-0.1 -0.022 92.1 64.9 -71.2 175.6 6.2 9.3 19.2 94 96 A P S S+ 0 0 107 0, 0.0 2,-0.3 0, 0.0 26,-0.2 0.552 74.8 127.4 -84.9 144.5 3.9 10.2 20.7 95 97 A K E - e 0 120A 56 24,-1.8 26,-2.4 -2,-0.1 2,-0.6 -0.951 51.1-139.6-162.2 135.1 5.0 13.9 20.9 96 98 A R E - e 0 121A 91 -2,-0.3 -71,-2.9 24,-0.2 -70,-1.1 -0.932 27.0-167.1 -97.9 118.7 3.6 17.3 20.1 97 99 A V E -be 26 122A 0 24,-3.2 26,-2.6 -2,-0.6 -70,-0.2 -0.948 6.9-148.9-115.6 113.4 6.4 19.3 18.6 98 100 A G E -be 27 123A 0 -72,-3.0 -70,-2.3 -2,-0.6 2,-0.3 -0.461 13.4-166.2 -73.6 154.6 5.9 23.1 18.2 99 101 A F E -be 28 124A 2 24,-2.0 26,-2.3 -72,-0.2 2,-1.6 -0.956 34.9 -99.3-140.2 159.7 7.6 25.1 15.4 100 102 A E E >> + e 0 125A 2 -72,-0.6 4,-2.6 -2,-0.3 3,-2.0 -0.554 40.3 179.0 -83.9 93.3 8.1 28.7 14.7 101 103 A A T 34 S+ 0 0 0 24,-2.0 136,-2.2 -2,-1.6 135,-0.4 0.774 76.9 60.3 -73.5 -21.5 5.2 29.3 12.3 102 104 A D T 34 S+ 0 0 62 23,-0.6 -1,-0.3 25,-0.3 133,-0.2 0.591 116.9 31.3 -74.8 -13.2 6.1 33.0 12.0 103 105 A Y T <4 S+ 0 0 84 -3,-2.0 2,-0.3 2,-0.1 -2,-0.2 0.637 98.1 83.7-119.8 -28.5 9.5 32.1 10.6 104 106 A L S < S- 0 0 10 -4,-2.6 132,-2.4 4,-0.1 133,-0.3 -0.603 73.7-128.6 -80.0 143.0 9.3 28.8 8.7 105 107 A S B > -F 235 0B 7 130,-0.3 4,-2.7 -2,-0.3 130,-0.3 -0.503 23.6-108.2 -83.0 159.5 8.1 29.0 5.1 106 108 A V H > S+ 0 0 30 128,-2.1 4,-2.4 125,-0.5 126,-0.2 0.923 121.3 44.7 -51.6 -45.5 5.3 26.9 3.8 107 109 A S H > S+ 0 0 25 124,-2.1 4,-2.0 127,-0.2 -1,-0.2 0.892 110.8 52.4 -76.9 -29.9 7.7 24.8 1.8 108 110 A Q H > S+ 0 0 108 123,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.898 112.6 47.7 -64.5 -39.4 10.2 24.5 4.6 109 111 A C H X S+ 0 0 3 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.900 107.0 53.7 -68.6 -40.4 7.4 23.3 6.8 110 112 A E H X S+ 0 0 117 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.917 108.1 52.9 -58.5 -39.1 6.1 20.8 4.2 111 113 A E H >X S+ 0 0 47 -4,-2.0 4,-0.6 1,-0.2 3,-0.6 0.933 108.9 49.5 -62.1 -46.5 9.6 19.3 4.1 112 114 A L H >X S+ 0 0 5 -4,-1.8 4,-1.1 1,-0.2 3,-1.1 0.847 103.5 59.4 -52.2 -49.2 9.6 18.9 7.9 113 115 A R H 3< S+ 0 0 128 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.854 97.9 60.0 -56.8 -28.3 6.3 17.2 7.9 114 116 A K H << S+ 0 0 148 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.800 106.2 47.1 -67.3 -31.2 7.7 14.5 5.7 115 117 A S H << S+ 0 0 42 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.614 87.0 108.5 -87.8 -17.7 10.3 13.6 8.3 116 118 A A S < S- 0 0 26 -4,-1.1 -27,-0.1 -3,-0.4 -28,-0.0 -0.374 71.9-115.5 -59.6 135.7 7.9 13.5 11.3 117 119 A G > - 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0 0 124 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.226 360.0 -87.3 -87.3 167.2 4.7 51.5 -31.2 133 5 B L - 0 0 167 1,-0.1 3,-0.1 -2,-0.0 0, 0.0 -0.434 61.2 -98.6 -57.9 131.0 6.8 52.5 -28.3 134 6 B A - 0 0 85 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.263 40.2-101.8 -53.8 143.4 8.8 49.5 -27.2 135 7 B D - 0 0 77 1,-0.1 -1,-0.1 -3,-0.1 0, 0.0 -0.424 40.6-113.1 -58.9 140.6 7.5 47.5 -24.2 136 8 B T > - 0 0 71 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.251 25.8-109.2 -69.4 167.1 9.4 48.2 -20.9 137 9 B R H > S+ 0 0 137 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.814 118.7 58.6 -67.5 -27.2 11.5 45.5 -19.4 138 10 B F H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 105.3 48.0 -68.8 -43.6 8.9 45.2 -16.6 139 11 B L H > S+ 0 0 57 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.940 112.0 50.5 -60.7 -44.6 6.0 44.4 -19.0 140 12 B Q H X S+ 0 0 106 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.908 110.2 50.2 -57.7 -42.1 8.2 41.8 -20.7 141 13 B R H X S+ 0 0 28 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.900 111.2 47.7 -64.4 -43.7 9.0 40.3 -17.4 142 14 B R H X S+ 0 0 12 -4,-2.5 4,-2.5 26,-0.3 -2,-0.2 0.946 110.7 52.7 -62.9 -42.8 5.3 40.1 -16.4 143 15 B R H X S+ 0 0 105 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.912 106.9 51.3 -60.3 -41.5 4.5 38.6 -19.8 144 16 B A H X S+ 0 0 56 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.892 110.7 50.3 -63.2 -35.6 7.2 35.8 -19.4 145 17 B L H >X S+ 0 0 22 -4,-1.7 3,-1.1 2,-0.2 4,-0.5 0.926 106.3 54.3 -66.9 -47.7 5.6 35.0 -15.9 146 18 B S H >< S+ 0 0 10 -4,-2.5 3,-1.5 1,-0.2 4,-0.5 0.893 104.4 54.7 -45.7 -50.0 2.1 34.8 -17.4 147 19 B A H 3< S+ 0 0 85 -4,-1.9 4,-0.4 1,-0.3 -1,-0.2 0.666 105.3 55.7 -60.7 -20.9 3.3 32.2 -20.0 148 20 B Q H S+ 0 0 2 -3,-1.5 5,-2.2 -4,-0.5 3,-0.5 0.866 83.4 57.2 -67.0 -36.3 1.2 29.9 -15.2 150 22 B A T >45S+ 0 0 83 -4,-0.5 3,-2.5 1,-0.3 -1,-0.2 0.981 107.7 47.2 -61.5 -54.8 -0.4 27.1 -17.2 151 23 B A T 345S+ 0 0 100 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.695 109.6 55.2 -55.6 -24.1 2.5 24.7 -16.5 152 24 B K T 3<5S- 0 0 75 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.392 113.3-121.6 -91.4 5.4 2.3 25.7 -12.8 153 25 B R T < 5S+ 0 0 50 -3,-2.5 2,-0.3 -4,-0.3 -3,-0.2 0.856 72.5 117.4 59.6 39.5 -1.4 24.8 -12.8 154 26 B I < - 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