==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JAN-10 3LMC . COMPND 2 MOLECULE: PEPTIDASE, ZINC-DEPENDENT; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCORPUSCULUM LABREANUM; . AUTHOR A.KUZIN,S.ASHOK,S VOROBIEV,J.SEETHARAMAN,P.PATEL,R.XIAO,C.CI . 191 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 10 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 1 1 0 0 0 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 2 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 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 2 A G 0 0 55 0, 0.0 88,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 165.0 15.6 29.4 32.2 2 3 A I E -ab 30 89A 10 27,-0.5 29,-2.9 86,-0.2 2,-0.5 -0.986 360.0-167.2-124.3 124.2 15.9 29.2 36.0 3 4 A H E -ab 31 90A 19 86,-2.7 88,-2.7 -2,-0.5 2,-0.9 -0.944 12.6-152.8-118.2 120.6 14.1 26.4 37.9 4 5 A L E -ab 32 91A 1 27,-3.3 29,-2.9 -2,-0.5 2,-1.1 -0.831 11.3-161.4 -90.2 105.7 13.6 26.3 41.7 5 6 A F E -ab 33 92A 11 86,-2.8 88,-2.9 -2,-0.9 2,-0.8 -0.777 10.5-165.8 -90.3 98.6 13.4 22.6 42.5 6 7 A W E - b 0 93A 0 27,-3.2 30,-0.5 -2,-1.1 2,-0.3 -0.744 16.4-137.2 -93.1 104.0 11.7 22.8 46.0 7 8 A D > - 0 0 0 86,-2.3 3,-2.8 -2,-0.8 30,-0.2 -0.461 17.0-136.6 -60.6 119.1 11.9 19.5 47.9 8 9 A S T 3 S+ 0 0 44 28,-2.1 4,-0.4 -2,-0.3 -1,-0.2 0.566 96.9 76.3 -67.4 -6.3 8.4 19.2 49.3 9 10 A R T 3 S+ 0 0 127 27,-0.2 -1,-0.3 2,-0.1 85,-0.1 0.680 82.6 78.6 -72.7 -16.0 9.8 18.1 52.7 10 11 A V S < S- 0 0 6 -3,-2.8 5,-0.1 83,-0.2 4,-0.1 -0.834 118.8 -82.3 -88.5 129.0 10.6 21.8 53.1 11 12 A P > - 0 0 83 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.033 42.4-151.0 -38.9 112.4 7.4 23.6 54.1 12 13 A V G >> S+ 0 0 69 -4,-0.4 3,-1.1 1,-0.3 4,-0.6 0.640 87.3 75.7 -71.1 -11.8 5.8 24.1 50.6 13 14 A G G 34 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.722 93.3 53.9 -68.6 -20.1 4.0 27.2 51.8 14 15 A L G <> S+ 0 0 8 -3,-1.9 4,-2.1 1,-0.1 -1,-0.3 0.558 88.9 85.8 -87.4 -10.2 7.3 29.0 51.6 15 16 A S H <> S+ 0 0 0 -3,-1.1 4,-2.7 -4,-0.2 5,-0.2 0.937 87.3 45.0 -56.2 -57.4 7.8 27.9 47.9 16 17 A R H X S+ 0 0 153 -4,-0.6 4,-2.6 1,-0.2 5,-0.2 0.944 113.6 47.0 -61.6 -52.3 5.9 30.6 46.1 17 18 A P H > S+ 0 0 38 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.917 113.6 49.8 -56.2 -44.7 7.3 33.6 48.1 18 19 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.941 111.2 49.3 -58.6 -47.7 10.9 32.3 47.7 19 20 A S H X S+ 0 0 6 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.908 113.4 47.0 -52.7 -45.2 10.3 31.8 44.0 20 21 A E H X S+ 0 0 96 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.885 114.4 44.4 -73.8 -38.0 8.9 35.3 43.6 21 22 A E H X S+ 0 0 62 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.800 111.3 53.8 -74.5 -32.8 11.7 37.1 45.6 22 23 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 5,-0.3 0.939 110.4 48.8 -63.1 -45.2 14.4 35.1 43.9 23 24 A S H X>S+ 0 0 36 -4,-2.0 5,-1.6 -5,-0.3 4,-1.3 0.890 113.0 46.9 -62.2 -39.3 12.9 36.3 40.6 24 25 A A H <5S+ 0 0 71 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.926 114.5 44.5 -69.1 -44.8 12.8 39.9 41.8 25 26 A V H <5S+ 0 0 23 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.859 120.3 41.0 -71.6 -34.6 16.3 40.0 43.1 26 27 A L H <5S- 0 0 4 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.703 101.0-136.3 -80.2 -22.5 17.8 38.2 40.1 27 28 A E T <5 + 0 0 150 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.930 69.5 108.0 60.8 46.5 15.5 40.2 37.7 28 29 A X S > -E 49 0B 38 5,-2.6 4,-2.6 1,-0.1 5,-1.2 -0.955 4.3-163.5-120.9 110.6 28.2 10.3 55.4 45 46 A P T 45S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.855 89.3 47.9 -65.5 -39.2 27.2 8.4 58.6 46 47 A V T 45S+ 0 0 133 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.895 122.0 36.8 -68.6 -39.8 30.0 9.7 60.9 47 48 A R T 45S- 0 0 81 2,-0.2 -1,-0.2 52,-0.0 3,-0.1 0.778 96.5-142.5 -75.7 -30.0 29.4 13.3 59.8 48 49 A N T <5 + 0 0 115 -4,-2.6 2,-0.3 1,-0.3 49,-0.2 0.854 66.2 104.7 60.9 38.6 25.6 12.8 59.6 49 50 A Q E - f 0 99B 24 -9,-2.6 4,-1.6 -2,-0.4 3,-0.4 -0.570 23.4-161.2 -67.4 105.3 28.2 15.4 50.2 52 53 A A H > S+ 0 0 0 47,-2.4 4,-2.3 -2,-0.8 -1,-0.2 0.766 85.0 64.1 -67.5 -23.7 26.7 18.3 48.2 53 54 A V H > S+ 0 0 53 46,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.948 104.9 46.1 -63.8 -45.0 29.1 17.7 45.3 54 55 A K H > S+ 0 0 99 -3,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.887 111.0 52.1 -62.3 -40.7 27.5 14.3 44.7 55 56 A V H X S+ 0 0 0 -4,-1.6 4,-2.1 -14,-0.3 -1,-0.2 0.913 108.2 52.1 -62.8 -39.9 24.0 15.7 45.0 56 57 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.906 109.5 48.1 -66.2 -39.6 24.9 18.3 42.3 57 58 A L H X S+ 0 0 72 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.908 111.9 50.4 -63.7 -43.6 26.1 15.7 39.9 58 59 A K H X S+ 0 0 58 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.848 107.3 55.3 -60.8 -35.3 23.0 13.7 40.5 59 60 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.896 106.4 49.5 -67.4 -42.4 21.0 16.9 39.8 60 61 A D H X S+ 0 0 14 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.956 111.2 50.1 -58.9 -48.8 22.6 17.3 36.4 61 62 A X H X S+ 0 0 117 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.903 109.7 51.4 -57.3 -41.2 21.8 13.7 35.6 62 63 A F H X S+ 0 0 35 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.926 109.4 49.4 -61.9 -47.1 18.2 14.2 36.7 63 64 A R H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 7,-0.3 0.952 111.3 48.4 -56.5 -49.7 17.8 17.2 34.5 64 65 A R H 3< S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.868 113.0 48.5 -61.9 -34.9 19.2 15.5 31.4 65 66 A R H 3< S+ 0 0 174 -4,-2.0 -1,-0.3 -5,-0.2 3,-0.2 0.607 107.8 61.5 -77.6 -12.2 17.0 12.5 32.0 66 67 A X XX + 0 0 33 -3,-1.3 4,-2.1 -4,-0.9 3,-1.3 -0.444 47.8 145.7-122.1 61.2 13.9 14.7 32.4 67 68 A P H 3> S+ 0 0 29 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.881 73.7 66.1 -57.9 -40.2 13.2 16.8 29.2 68 69 A Q H 34 S+ 0 0 149 -3,-0.2 -2,-0.1 1,-0.2 -3,-0.0 0.737 112.4 35.1 -59.7 -19.5 9.4 16.5 29.9 69 70 A I H <4 S+ 0 0 73 -3,-1.3 -1,-0.2 -6,-0.2 -6,-0.1 0.887 131.2 20.4 -94.1 -52.8 10.1 18.7 33.0 70 71 A F H < S+ 0 0 4 -4,-2.1 -2,-0.2 -7,-0.3 -6,-0.1 0.669 92.6 97.7-100.0 -19.1 12.9 21.2 32.1 71 72 A K S < S- 0 0 56 -4,-1.9 6,-0.1 -5,-0.3 4,-0.0 -0.599 73.3-122.7 -79.3 123.8 13.1 21.5 28.3 72 73 A P > - 0 0 42 0, 0.0 3,-1.7 0, 0.0 8,-0.1 -0.298 23.5-117.6 -55.3 148.2 11.3 24.5 26.8 73 74 A A T 3 S+ 0 0 105 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.858 114.6 54.2 -55.9 -37.5 8.7 23.5 24.2 74 75 A D T 3 S+ 0 0 146 2,-0.1 2,-0.5 1,-0.0 -1,-0.3 0.234 89.9 98.7 -85.9 15.6 10.6 25.4 21.5 75 76 A X S < S- 0 0 21 -3,-1.7 5,-0.1 -4,-0.0 -4,-0.0 -0.909 76.5-121.3-111.3 121.5 13.8 23.5 22.2 76 77 A D > - 0 0 98 -2,-0.5 4,-1.9 1,-0.1 5,-0.1 -0.229 19.9-128.8 -55.6 142.5 14.9 20.6 20.1 77 78 A L H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.847 107.4 49.0 -66.1 -37.9 15.4 17.4 22.1 78 79 A E H > S+ 0 0 140 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.876 110.0 52.1 -70.2 -38.0 18.9 16.6 20.8 79 80 A F H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.899 110.3 50.2 -60.9 -40.7 20.0 20.2 21.5 80 81 A Y H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.901 105.8 55.0 -65.7 -43.2 18.7 19.8 25.1 81 82 A N H < S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.908 117.7 35.6 -57.1 -42.4 20.6 16.5 25.6 82 83 A K H < S+ 0 0 131 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.844 131.9 25.8 -79.2 -35.7 23.8 18.3 24.7 83 84 A F H >X S+ 0 0 80 -4,-2.6 3,-1.6 -5,-0.2 4,-1.2 0.231 74.8 116.8-122.4 16.0 23.2 21.7 26.2 84 85 A N H 3X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.3 3,-0.2 0.831 78.7 57.8 -55.4 -35.6 20.7 21.4 29.1 85 86 A H H 34 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.699 105.7 49.9 -69.5 -20.6 23.4 22.6 31.6 86 87 A L H <4 S+ 0 0 89 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.801 123.8 26.7 -82.6 -30.0 23.9 25.9 29.7 87 88 A H H < S+ 0 0 73 -4,-1.2 2,-0.8 1,-0.2 -2,-0.2 0.782 113.6 53.1-109.5 -34.4 20.2 26.8 29.5 88 89 A E < - 0 0 9 -4,-2.7 -1,-0.2 -5,-0.2 -86,-0.2 -0.755 68.0-168.7-114.9 84.6 18.2 25.3 32.3 89 90 A K E -b 2 0A 25 -88,-2.3 -86,-2.7 -2,-0.8 2,-0.4 -0.497 6.8-156.9 -72.8 138.7 19.8 26.3 35.6 90 91 A I E -bc 3 116A 1 25,-1.9 27,-2.7 -88,-0.2 2,-0.6 -0.978 14.8-166.9-122.3 132.3 18.4 24.5 38.6 91 92 A L E -bc 4 117A 0 -88,-2.7 -86,-2.8 -2,-0.4 2,-0.5 -0.969 16.2-155.5-109.1 115.3 18.5 25.5 42.3 92 93 A L E -bc 5 118A 0 25,-2.6 27,-2.9 -2,-0.6 2,-0.6 -0.770 2.9-158.1 -89.3 129.0 17.6 22.5 44.5 93 94 A V E +bc 6 119A 0 -88,-2.9 -86,-2.3 -2,-0.5 -83,-0.2 -0.947 25.3 177.1-107.0 111.7 16.1 23.4 48.0 94 95 A T - 0 0 0 25,-2.4 28,-0.5 -2,-0.6 -57,-0.0 -0.871 39.1-140.6-122.9 148.3 16.8 20.4 50.1 95 96 A P S S+ 0 0 40 0, 0.0 25,-0.1 0, 0.0 -1,-0.1 0.644 71.4 106.9 -79.6 -10.7 16.1 19.6 53.8 96 97 A G S S- 0 0 8 1,-0.1 2,-0.4 25,-0.0 26,-0.4 -0.345 77.2-114.6 -73.6 145.4 19.4 17.7 54.2 97 98 A D - 0 0 17 -49,-0.2 -47,-3.1 25,-0.1 2,-0.3 -0.661 41.4-147.2 -74.9 131.5 22.4 19.1 56.1 98 99 A L E +fG 50 106B 0 8,-0.6 8,-2.2 -2,-0.4 2,-0.3 -0.786 23.9 169.6-110.8 142.8 25.2 19.7 53.5 99 100 A Y E -f 51 0B 26 -49,-2.3 -47,-2.4 -2,-0.3 -46,-0.4 -0.906 16.4-153.4-131.5 168.1 29.0 19.6 53.6 100 101 A E E > - G 0 103B 48 3,-0.6 3,-2.9 -2,-0.3 -49,-0.0 -0.959 41.9 -97.4-132.3 158.8 31.8 19.7 51.1 101 102 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.0 0, 0.0 -50,-0.0 0.820 122.7 43.8 -43.6 -42.7 35.3 18.1 51.5 102 103 A L T 3 S+ 0 0 161 -3,-0.0 2,-0.3 2,-0.0 3,-0.1 0.451 110.5 65.8 -82.9 -0.1 36.9 21.4 52.7 103 104 A A E < -G 100 0B 20 -3,-2.9 -3,-0.6 1,-0.1 3,-0.1 -0.937 68.5-139.7-133.6 144.7 34.1 22.4 55.0 104 105 A D E S- 0 0 131 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.853 93.0 -27.9 -62.1 -36.8 32.3 21.4 58.3 105 106 A F E - 0 0 61 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.3 -0.963 58.5-145.9-165.4 166.1 29.1 22.4 56.5 106 107 A V E -G 98 0B 21 -8,-2.2 -8,-0.6 -2,-0.3 17,-0.1 -0.984 17.1-144.1-137.1 151.4 27.7 24.7 53.9 107 108 A F S S- 0 0 12 -2,-0.3 13,-2.9 1,-0.2 2,-0.3 0.696 87.9 -23.3 -76.5 -23.7 24.3 26.5 53.6 108 109 A G E -D 119 0A 6 11,-0.3 2,-0.3 -10,-0.1 -1,-0.2 -0.980 58.5-151.6-171.5 178.0 24.6 25.9 49.8 109 110 A L E -D 118 0A 38 9,-2.0 9,-2.5 -2,-0.3 2,-0.3 -0.980 7.1-148.0-163.6 153.8 26.9 25.1 46.9 110 111 A A E -D 117 0A 19 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.951 10.1-159.5-131.6 149.1 27.1 25.7 43.1 111 112 A Y E >>> -D 116 0A 80 5,-2.8 3,-1.4 -2,-0.3 5,-1.2 -0.784 16.7-176.2-123.1 82.4 28.5 23.7 40.2 112 113 A P G >45S+ 0 0 69 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.825 76.9 60.3 -54.7 -38.0 28.8 26.5 37.6 113 114 A K G 345S+ 0 0 162 1,-0.3 -28,-0.0 -3,-0.1 40,-0.0 0.850 114.0 35.6 -62.0 -34.5 30.0 24.2 34.9 114 115 A L G <45S- 0 0 30 -3,-1.4 -1,-0.3 2,-0.2 3,-0.1 0.291 106.4-121.9-102.7 11.2 26.8 22.1 35.0 115 116 A G T <<5S+ 0 0 0 -3,-1.2 -25,-1.9 -4,-0.5 2,-0.4 0.876 70.4 124.8 52.6 39.7 24.4 24.9 35.8 116 117 A V E < +cD 90 111A 0 -5,-1.2 -5,-2.8 -27,-0.2 2,-0.3 -0.994 31.1 170.9-129.8 142.9 23.2 23.3 39.1 117 118 A A E -cD 91 110A 0 -27,-2.7 -25,-2.6 -2,-0.4 2,-0.3 -0.908 12.8-153.8-142.0 167.8 23.1 24.7 42.6 118 119 A I E -cD 92 109A 0 -9,-2.5 -9,-2.0 -2,-0.3 2,-0.4 -0.999 6.9-171.4-146.6 143.2 21.8 23.7 46.0 119 120 A V E -cD 93 108A 0 -27,-2.9 -25,-2.4 -2,-0.3 -11,-0.3 -0.997 10.6-155.0-132.5 142.3 20.6 25.4 49.2 120 121 A S > - 0 0 2 -13,-2.9 3,-0.7 -2,-0.4 4,-0.1 -0.961 9.2-164.1-117.6 119.5 19.7 23.7 52.5 121 122 A P G >> + 0 0 7 0, 0.0 4,-2.4 0, 0.0 3,-1.2 0.488 67.4 103.6 -75.1 2.1 17.4 25.4 54.9 122 123 A H G 34 S+ 0 0 62 -28,-0.5 6,-0.1 -26,-0.4 -25,-0.1 0.858 94.4 25.6 -54.6 -41.7 18.6 22.9 57.6 123 124 A R G <4 S+ 0 0 54 -3,-0.7 -1,-0.3 -17,-0.1 -16,-0.1 0.325 117.0 64.6-102.3 6.4 20.8 25.6 59.3 124 125 A L T <4 S+ 0 0 0 -3,-1.2 -2,-0.2 -4,-0.1 -1,-0.1 0.733 81.2 93.8 -94.4 -30.8 18.7 28.5 58.0 125 126 A Q S >< S- 0 0 54 -4,-2.4 3,-1.2 1,-0.1 4,-0.5 -0.381 78.3-132.5 -63.1 133.7 15.6 27.5 60.0 126 127 A N G > >S+ 0 0 27 1,-0.2 3,-2.0 8,-0.2 5,-1.8 0.878 103.6 68.0 -48.0 -41.7 15.2 29.2 63.4 127 128 A E G > 5S+ 0 0 87 1,-0.3 3,-2.3 3,-0.2 -1,-0.2 0.788 83.7 68.5 -57.2 -30.5 14.4 25.7 64.8 128 129 A F G < 5S+ 0 0 80 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.846 104.5 45.9 -56.7 -29.5 17.9 24.4 64.2 129 130 A Y G < 5S- 0 0 100 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.231 125.8-102.8 -98.1 13.3 18.9 26.9 67.0 130 131 A G T < 5S+ 0 0 73 -3,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.672 81.1 133.6 72.7 18.5 16.0 25.8 69.3 131 132 A K < - 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0 0 5 -5,-1.6 -1,-0.3 -6,-0.1 2,-0.1 -0.484 34.5-156.8 -72.7 141.9 29.9 35.7 39.6 157 158 A G - 0 0 42 -2,-0.2 2,-0.2 1,-0.2 -1,-0.1 -0.274 41.9 -53.8 -98.7-167.1 32.5 35.1 42.3 158 159 A H - 0 0 108 -2,-0.1 2,-0.3 1,-0.0 9,-0.2 -0.511 54.8-140.3 -74.5 138.5 32.4 36.2 45.9 159 160 A C - 0 0 6 7,-1.6 9,-0.5 -2,-0.2 -1,-0.0 -0.693 9.2-142.1-101.7 150.0 31.9 39.8 46.6 160 161 A D S S+ 0 0 155 -2,-0.3 -1,-0.1 7,-0.1 -2,-0.0 0.666 76.9 96.2 -80.8 -22.3 33.6 41.9 49.3 161 162 A N > - 0 0 64 1,-0.1 3,-2.2 2,-0.1 6,-0.3 -0.662 65.3-154.0 -77.1 110.1 30.5 44.0 50.1 162 163 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.590 93.7 54.8 -65.2 -16.8 28.9 42.3 53.2 163 164 A G T 3 S+ 0 0 11 15,-0.2 16,-2.0 17,-0.0 2,-0.2 0.515 90.5 97.7 -89.1 -9.2 25.5 43.7 52.2 164 165 A C S X S- 0 0 0 -3,-2.2 3,-1.9 14,-0.2 18,-0.2 -0.558 80.4-126.1 -85.0 147.4 25.7 42.2 48.7 165 166 A I T 3 S+ 0 0 0 16,-2.9 17,-0.1 1,-0.3 -1,-0.1 0.795 109.0 59.7 -57.1 -30.1 24.0 38.8 47.8 166 167 A X T 3 S+ 0 0 0 15,-0.2 -7,-1.6 -5,-0.1 -1,-0.3 0.457 77.4 112.2 -84.0 -2.7 27.4 37.6 46.5 167 168 A Y S < S- 0 0 37 -3,-1.9 -7,-0.1 -6,-0.3 11,-0.0 -0.458 72.0-124.5 -66.4 142.5 29.2 38.0 49.9 168 169 A C - 0 0 58 -9,-0.5 2,-0.3 -2,-0.1 -2,-0.1 -0.841 23.4-141.4 -96.9 112.2 30.1 34.6 51.4 169 170 A P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 6,-0.0 -0.536 11.7-161.7 -75.0 129.5 28.7 34.4 54.9 170 171 A R S S- 0 0 179 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 0.796 76.6 -6.8 -76.1 -28.8 30.8 32.7 57.6 171 172 A N S > S- 0 0 71 1,-0.0 4,-1.8 0, 0.0 5,-0.1 -0.884 85.1 -81.3-154.9-178.7 27.8 32.1 59.8 172 173 A L H > S+ 0 0 18 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.824 121.0 56.2 -66.3 -34.1 24.0 32.8 60.2 173 174 A D H > S+ 0 0 105 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.926 109.3 46.8 -62.9 -46.6 24.5 36.3 61.6 174 175 A E H > S+ 0 0 17 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.863 110.8 53.2 -60.0 -38.6 26.5 37.4 58.6 175 176 A L H >< S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.918 107.0 51.3 -65.2 -40.5 23.9 35.9 56.3 176 177 A D H 3< S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.793 104.6 58.2 -68.3 -26.2 21.2 37.8 58.0 177 178 A R H 3< S+ 0 0 145 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.721 85.7 97.0 -75.4 -22.7 23.2 41.0 57.5 178 179 A K S << S- 0 0 1 -4,-0.9 2,-0.2 -3,-0.8 -15,-0.2 -0.344 71.2-139.1 -61.5 150.0 23.2 40.5 53.8 179 180 A R - 0 0 155 -16,-2.0 2,-2.0 2,-0.2 -2,-0.1 -0.698 27.0 -99.5-108.1 164.0 20.5 42.5 51.9 180 181 A K S S+ 0 0 88 -2,-0.2 2,-0.3 -16,-0.1 -16,-0.1 -0.611 90.5 113.1 -79.9 83.1 18.3 41.4 49.1 181 182 A Y - 0 0 88 -2,-2.0 -16,-2.9 -18,-0.2 2,-0.6 -0.981 61.2-151.9-165.6 124.8 20.7 43.3 46.9 182 183 A F - 0 0 15 -2,-0.3 -18,-0.1 -18,-0.2 5,-0.1 -0.971 36.1-130.6-102.3 122.5 23.3 42.9 44.2 183 184 A C > - 0 0 11 -2,-0.6 4,-2.7 -22,-0.1 5,-0.2 0.012 29.6 -93.3 -62.6 177.6 25.8 45.7 44.4 184 185 A G H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.932 124.7 49.8 -62.2 -50.0 26.9 47.8 41.4 185 186 A K H > S+ 0 0 104 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.917 114.5 45.6 -53.4 -46.4 29.9 45.7 40.5 186 187 A C H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.911 107.6 55.0 -71.9 -40.8 27.8 42.5 40.7 187 188 A R H X S+ 0 0 121 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.902 107.0 51.9 -58.1 -41.8 24.7 43.7 38.7 188 189 A V H < S+ 0 0 105 -4,-1.9 3,-0.3 2,-0.2 -1,-0.2 0.932 112.7 44.8 -58.3 -48.3 27.0 44.7 35.8 189 190 A Q H < S+ 0 0 99 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.907 110.4 54.1 -62.4 -42.4 28.6 41.3 35.6 190 191 A L H < 0 0 26 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.748 360.0 360.0 -66.6 -22.8 25.2 39.5 36.0 191 192 A N < 0 0 147 -4,-1.3 0, 0.0 -3,-0.3 0, 0.0 -0.663 360.0 360.0 -89.9 360.0 24.0 41.5 33.0