==== 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 24-DEC-02 1NIO . COMPND 2 MOLECULE: B-LUFFIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LUFFA AEGYPTIACA; . AUTHOR S.WU . 247 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 8 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 1 1 0 1 1 0 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 1 A A 0 0 78 0, 0.0 50,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 151.4 -38.8 14.5 27.8 2 2 A N + 0 0 101 48,-1.6 2,-0.3 1,-0.2 49,-0.2 0.816 360.0 12.3 -76.5 -31.5 -36.8 11.5 26.5 3 3 A V E S-a 51 0A 10 47,-1.7 49,-2.6 2,-0.0 2,-0.3 -0.975 71.1-177.9-141.1 152.8 -40.0 9.5 26.0 4 4 A S E -a 52 0A 67 -2,-0.3 2,-0.3 47,-0.2 49,-0.2 -0.996 8.0-167.4-151.8 155.7 -43.7 10.5 25.9 5 5 A F E -a 53 0A 10 47,-2.5 49,-2.0 -2,-0.3 2,-0.4 -0.997 4.9-160.5-146.5 138.6 -47.0 8.8 25.5 6 6 A S E -a 54 0A 60 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.986 11.7-154.3-122.9 131.4 -50.5 10.3 25.0 7 7 A L > + 0 0 0 47,-2.3 3,-2.0 -2,-0.4 2,-0.3 0.772 67.1 104.4 -72.9 -26.4 -53.7 8.4 25.7 8 8 A S T 3 S- 0 0 85 47,-0.5 -2,-0.1 1,-0.3 48,-0.0 -0.380 104.0 -8.2 -60.9 118.7 -55.7 10.4 23.1 9 9 A G T 3 S+ 0 0 79 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.543 99.3 150.8 73.2 5.3 -56.2 8.2 20.1 10 10 A A < + 0 0 20 -3,-2.0 2,-0.2 4,-0.1 -1,-0.2 -0.362 18.6 175.7 -72.6 148.7 -53.8 5.5 21.5 11 11 A D > - 0 0 86 -2,-0.1 4,-1.7 0, 0.0 5,-0.2 -0.680 51.6 -76.4-134.4-169.3 -54.2 1.9 20.6 12 12 A S H > S+ 0 0 57 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.821 128.4 51.3 -65.6 -30.6 -52.2 -1.3 21.4 13 13 A K H > S+ 0 0 146 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 108.4 48.8 -74.7 -40.4 -49.5 -0.4 18.8 14 14 A S H > S+ 0 0 39 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.864 113.0 50.0 -68.3 -30.4 -48.9 3.1 20.0 15 15 A Y H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.949 111.4 47.6 -70.2 -46.5 -48.6 1.7 23.6 16 16 A S H X S+ 0 0 31 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.830 109.8 52.7 -62.3 -35.5 -46.2 -0.9 22.5 17 17 A K H X S+ 0 0 143 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.873 109.4 50.7 -66.8 -38.5 -44.1 1.6 20.6 18 18 A F H X S+ 0 0 9 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.932 111.0 47.1 -62.8 -47.7 -44.0 3.7 23.7 19 19 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.903 112.1 50.7 -63.6 -39.5 -42.8 0.8 25.9 20 20 A T H X S+ 0 0 57 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.905 110.4 49.7 -62.9 -41.2 -40.2 -0.1 23.3 21 21 A A H X S+ 0 0 41 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.877 108.9 52.2 -65.1 -37.7 -39.0 3.5 23.3 22 22 A L H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 3,-0.4 0.952 109.0 50.1 -62.6 -48.3 -38.8 3.5 27.1 23 23 A R H >< S+ 0 0 27 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.883 113.9 45.4 -57.4 -39.9 -36.6 0.3 27.0 24 24 A K H 3< S+ 0 0 168 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.733 103.2 63.7 -79.3 -19.4 -34.3 2.0 24.4 25 25 A A H 3< S+ 0 0 31 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.679 85.2 89.8 -75.4 -17.1 -34.1 5.3 26.3 26 26 A L S << S- 0 0 9 -4,-0.8 42,-0.0 -3,-0.5 22,-0.0 -0.674 85.4-119.4 -82.4 126.1 -32.4 3.5 29.2 27 27 A P + 0 0 39 0, 0.0 12,-0.6 0, 0.0 2,-0.3 -0.295 38.1 170.3 -65.4 151.6 -28.6 3.4 28.8 28 28 A S E -F 38 0B 39 10,-0.2 10,-0.2 -4,-0.1 3,-0.1 -0.912 26.5-164.9-160.6 132.2 -26.9 -0.0 28.6 29 29 A K E S+ 0 0 152 8,-0.5 2,-0.3 -2,-0.3 9,-0.1 0.492 74.7 2.9 -98.8 -5.6 -23.3 -1.0 27.8 30 30 A E E -F 37 0B 117 7,-0.6 7,-3.2 2,-0.0 2,-0.3 -0.992 62.0-119.8-170.7 165.1 -24.0 -4.7 27.2 31 31 A K E -F 36 0B 145 -2,-0.3 2,-0.5 5,-0.3 3,-0.0 -0.868 13.9-156.7-115.6 149.1 -26.4 -7.6 27.0 32 32 A V E > S-F 35 0B 15 3,-2.8 3,-1.7 -2,-0.3 168,-0.1 -0.991 85.3 -11.0-127.6 120.7 -26.5 -10.7 29.0 33 33 A S T 3 S- 0 0 36 -2,-0.5 -1,-0.1 1,-0.3 167,-0.0 0.880 132.8 -56.5 56.1 36.8 -28.2 -13.7 27.5 34 34 A N T 3 S+ 0 0 145 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.558 115.3 117.4 73.6 11.0 -29.4 -11.2 24.9 35 35 A I E < S-F 32 0B 9 -3,-1.7 -3,-2.8 204,-0.0 -1,-0.2 -0.937 72.7-109.1-114.0 128.3 -31.0 -9.0 27.5 36 36 A P E -F 31 0B 40 0, 0.0 204,-2.2 0, 0.0 2,-0.5 -0.290 29.5-141.1 -53.4 129.7 -29.8 -5.4 28.0 37 37 A L E -Fg 30 240B 11 -7,-3.2 -7,-0.6 202,-0.2 -8,-0.5 -0.837 17.1-128.0 -96.0 126.8 -28.0 -5.0 31.3 38 38 A L E -F 28 0B 2 202,-2.7 -10,-0.2 -2,-0.5 30,-0.1 -0.301 37.7 -83.9 -69.7 159.4 -28.7 -1.7 33.1 39 39 A L - 0 0 30 -12,-0.6 203,-0.3 28,-0.3 -1,-0.1 -0.303 24.3-136.1 -64.8 144.5 -25.8 0.5 34.2 40 40 A P S S- 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.813 84.3 -17.5 -70.9 -25.9 -24.1 -0.3 37.6 41 41 A S - 0 0 85 26,-0.0 2,-0.3 2,-0.0 204,-0.0 -0.978 56.9-166.3-169.0 165.1 -24.2 3.5 38.3 42 42 A A - 0 0 22 -2,-0.3 2,-0.3 -3,-0.1 5,-0.1 -0.966 17.1-136.4-156.0 152.9 -24.5 6.9 36.7 43 43 A S > - 0 0 99 -2,-0.3 3,-0.8 3,-0.0 4,-0.2 -0.828 54.6 -13.7-120.7 157.8 -23.7 10.4 38.0 44 44 A G G > S- 0 0 22 -2,-0.3 3,-1.4 1,-0.2 51,-0.1 -0.156 119.2 -22.2 59.0-149.9 -25.4 13.8 37.9 45 45 A A G > S+ 0 0 60 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.758 125.3 75.2 -65.1 -28.5 -28.3 14.4 35.5 46 46 A S G < S+ 0 0 85 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.583 81.8 72.5 -63.5 -8.5 -27.3 11.6 33.2 47 47 A R G < S+ 0 0 46 -3,-1.4 20,-2.8 -4,-0.2 21,-0.4 0.519 96.4 58.6 -82.9 -4.4 -28.7 9.2 35.8 48 48 A Y E < - B 0 66A 18 -3,-2.2 2,-0.3 18,-0.2 18,-0.2 -0.963 58.5-165.7-132.0 144.8 -32.3 10.2 35.0 49 49 A I E - B 0 65A 8 16,-2.0 16,-2.9 -2,-0.4 2,-0.4 -0.874 24.0-127.9-119.1 154.3 -34.5 10.1 31.9 50 50 A L E - B 0 64A 47 -2,-0.3 -47,-1.7 14,-0.2 -48,-1.6 -0.891 16.8-163.7-109.4 137.4 -37.8 12.1 31.7 51 51 A M E -aB 3 63A 0 12,-2.9 12,-3.1 -2,-0.4 2,-0.5 -0.975 5.7-155.9-123.9 118.7 -41.1 10.5 30.7 52 52 A Q E -aB 4 62A 69 -49,-2.6 -47,-2.5 -2,-0.5 2,-0.4 -0.828 11.2-174.1 -98.8 130.0 -44.1 12.6 29.7 53 53 A L E -aB 5 61A 0 8,-2.5 8,-2.0 -2,-0.5 2,-0.4 -0.980 3.4-171.4-125.8 131.7 -47.6 11.2 30.0 54 54 A S E -aB 6 60A 14 -49,-2.0 -47,-2.3 -2,-0.4 6,-0.2 -0.967 12.8-143.4-123.6 138.0 -50.9 12.9 28.9 55 55 A N > - 0 0 2 4,-2.1 3,-1.9 -2,-0.4 -47,-0.5 -0.119 43.1 -78.6 -86.8-171.6 -54.4 11.7 29.6 56 56 A Y T 3 S+ 0 0 89 1,-0.3 -1,-0.0 -49,-0.2 74,-0.0 0.804 131.6 51.2 -60.3 -30.6 -57.5 11.8 27.4 57 57 A D T 3 S- 0 0 125 2,-0.1 -1,-0.3 76,-0.1 3,-0.1 0.290 119.7-109.8 -89.2 8.9 -58.1 15.5 28.0 58 58 A A < + 0 0 75 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.717 67.3 149.2 70.8 22.8 -54.4 16.2 27.1 59 59 A K - 0 0 94 2,-0.0 -4,-2.1 1,-0.0 2,-0.3 -0.759 30.5-159.3 -86.0 134.0 -53.4 17.1 30.7 60 60 A A E -B 54 0A 33 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.870 23.6-177.4-126.0 152.9 -49.7 16.2 31.1 61 61 A I E -B 53 0A 1 -8,-2.0 -8,-2.5 -2,-0.3 2,-0.5 -0.935 20.7-137.8-133.8 155.3 -47.2 15.4 33.8 62 62 A T E -BC 52 76A 26 14,-2.2 14,-3.0 -2,-0.3 2,-0.3 -0.981 17.3-161.4-120.3 125.1 -43.5 14.6 33.5 63 63 A M E -BC 51 75A 0 -12,-3.1 -12,-2.9 -2,-0.5 2,-0.5 -0.812 10.9-138.2-106.9 145.5 -41.9 11.8 35.6 64 64 A A E -BC 50 74A 0 10,-2.2 9,-2.6 -2,-0.3 10,-0.8 -0.884 18.3-161.7-104.4 132.9 -38.2 11.3 36.3 65 65 A I E -BC 49 72A 0 -16,-2.9 -16,-2.0 -2,-0.5 2,-0.6 -0.951 18.8-130.5-118.6 134.0 -36.8 7.8 36.1 66 66 A D E >>> -BC 48 71A 0 5,-2.7 4,-2.0 -2,-0.4 3,-1.1 -0.725 18.0-150.2 -80.4 116.7 -33.6 6.6 37.7 67 67 A V T 345S+ 0 0 0 -20,-2.8 -28,-0.3 -2,-0.6 -1,-0.1 0.660 87.7 66.6 -66.1 -17.8 -31.9 4.7 34.8 68 68 A T T 345S+ 0 0 3 -21,-0.4 174,-0.5 1,-0.1 -1,-0.2 0.740 126.0 4.8 -77.0 -20.5 -30.0 2.2 37.1 69 69 A N T <45S- 0 0 16 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.1 0.427 92.0-116.6-142.9 1.9 -33.3 0.6 38.3 70 70 A V T <5 + 0 0 0 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.758 62.4 152.5 62.1 26.6 -36.2 2.0 36.3 71 71 A Y E < -C 66 0A 108 -5,-0.7 -5,-2.7 88,-0.1 2,-0.4 -0.720 47.8-122.3 -88.4 139.1 -37.6 3.4 39.6 72 72 A I E -C 65 0A 9 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.690 24.4-172.7 -81.9 128.3 -39.8 6.5 39.4 73 73 A M E - 0 0 0 -9,-2.6 11,-2.3 -2,-0.4 2,-0.3 0.784 54.1 -63.1 -90.9 -37.1 -38.3 9.3 41.6 74 74 A G E -CD 64 83A 0 -10,-0.8 -10,-2.2 9,-0.2 -1,-0.4 -0.966 50.7-112.2 171.8-167.2 -41.0 11.9 41.4 75 75 A Y E -CD 63 82A 0 7,-2.2 7,-2.8 -2,-0.3 2,-0.4 -0.976 9.1-130.4-153.9 165.1 -42.8 14.1 38.9 76 76 A L E +CD 62 81A 38 -14,-3.0 -14,-2.2 -2,-0.3 2,-0.3 -0.961 20.7 170.6-123.3 135.1 -43.4 17.6 37.7 77 77 A V E > - D 0 80A 6 3,-2.3 3,-2.7 -2,-0.4 -16,-0.1 -0.986 69.6 -27.7-139.7 138.6 -46.7 19.4 37.0 78 78 A N T 3 S- 0 0 135 -2,-0.3 62,-0.0 1,-0.3 -2,-0.0 -0.347 125.0 -37.5 53.0-119.6 -47.0 23.2 36.3 79 79 A S T 3 S+ 0 0 80 -2,-0.1 22,-2.4 -3,-0.1 2,-0.4 0.089 119.9 91.2-122.6 26.8 -44.0 24.5 38.2 80 80 A T E < -De 77 101A 34 -3,-2.7 -3,-2.3 20,-0.2 2,-0.3 -0.975 56.2-159.1-122.6 131.9 -44.2 22.2 41.3 81 81 A S E -De 76 102A 0 20,-2.6 22,-3.1 -2,-0.4 2,-0.4 -0.853 2.3-155.6-110.6 147.4 -42.3 18.9 41.5 82 82 A Y E -De 75 103A 28 -7,-2.8 -7,-2.2 -2,-0.3 2,-0.4 -0.986 13.0-173.8-124.4 123.4 -43.2 16.0 43.9 83 83 A F E -De 74 104A 4 20,-2.3 22,-3.2 -2,-0.4 -9,-0.2 -0.893 29.3-105.2-120.6 147.3 -40.6 13.5 45.0 84 84 A F - 0 0 3 -11,-2.3 2,-1.7 -2,-0.4 24,-0.3 -0.300 38.7-109.6 -63.0 151.7 -40.8 10.3 47.1 85 85 A N S S+ 0 0 100 22,-2.4 2,-0.3 19,-0.1 -1,-0.1 -0.615 82.4 100.2 -85.5 79.2 -39.5 10.6 50.6 86 86 A E S >> S- 0 0 46 -2,-1.7 4,-2.2 22,-0.1 3,-0.7 -0.970 82.8-104.2-159.5 153.4 -36.4 8.5 50.2 87 87 A S H 3> S+ 0 0 99 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.788 115.4 53.0 -54.4 -37.7 -32.6 9.1 49.6 88 88 A D H 3> S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.868 112.7 45.0 -68.1 -34.8 -32.5 8.3 45.9 89 89 A A H <> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.857 109.4 56.0 -75.2 -34.8 -35.4 10.8 45.2 90 90 A K H < S+ 0 0 128 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.924 110.9 44.9 -61.8 -43.6 -33.8 13.4 47.4 91 91 A L H >< S+ 0 0 70 -4,-2.0 3,-1.8 1,-0.2 4,-0.3 0.910 109.5 55.0 -66.4 -42.5 -30.7 13.1 45.3 92 92 A A H >X S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.3 4,-1.8 0.870 96.9 66.0 -59.2 -35.6 -32.6 13.2 42.0 93 93 A S T 3< S+ 0 0 9 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.657 93.5 61.3 -62.1 -14.7 -34.3 16.5 43.2 94 94 A Q T <4 S+ 0 0 110 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.612 114.8 31.4 -84.8 -13.4 -30.8 18.1 42.9 95 95 A Y T <4 S+ 0 0 103 -3,-2.2 2,-0.3 -4,-0.3 3,-0.3 0.662 110.7 53.8-119.7 -20.8 -30.6 17.4 39.2 96 96 A V S < S+ 0 0 15 -4,-1.8 3,-0.1 1,-0.2 -1,-0.1 -0.862 101.9 18.9-121.0 157.0 -34.1 17.4 37.5 97 97 A F S > S- 0 0 23 -2,-0.3 3,-2.1 1,-0.2 -1,-0.2 0.860 80.4-169.6 57.6 36.1 -36.9 19.9 37.4 98 98 A K T 3 + 0 0 148 1,-0.3 -1,-0.2 -3,-0.3 3,-0.1 -0.312 66.9 28.5 -57.5 136.4 -34.5 22.6 38.4 99 99 A G T 3 S+ 0 0 89 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.302 94.4 116.6 94.9 -11.5 -36.3 25.8 39.2 100 100 A S S < S- 0 0 20 -3,-2.1 2,-0.6 1,-0.1 -1,-0.4 -0.512 77.6-100.9 -88.6 161.2 -39.5 24.1 40.3 101 101 A T E -e 80 0A 90 -22,-2.4 -20,-2.6 -2,-0.2 2,-0.5 -0.734 42.7-137.1 -79.2 119.7 -40.9 24.3 43.9 102 102 A I E -e 81 0A 80 -2,-0.6 2,-0.5 -22,-0.2 -20,-0.2 -0.702 21.4-173.1 -87.9 122.0 -39.9 20.9 45.4 103 103 A V E -e 82 0A 49 -22,-3.1 -20,-2.3 -2,-0.5 2,-0.5 -0.943 16.8-141.1-112.6 130.2 -42.5 19.1 47.5 104 104 A T E -e 83 0A 74 -2,-0.5 -20,-0.2 -22,-0.2 -19,-0.1 -0.801 20.9-130.2 -92.0 128.6 -41.6 16.0 49.4 105 105 A L - 0 0 2 -22,-3.2 -20,-0.0 -2,-0.5 -1,-0.0 -0.356 17.8-116.6 -72.6 155.7 -44.3 13.3 49.4 106 106 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.342 92.5 39.3 -77.4 11.8 -45.4 11.6 52.6 107 107 A Y S S- 0 0 15 -21,-0.0 -22,-2.4 10,-0.0 -2,-0.2 -0.972 80.1-110.9-152.2 162.5 -44.2 8.2 51.6 108 108 A S - 0 0 20 -2,-0.3 -22,-0.1 -24,-0.3 -25,-0.0 -0.320 36.9-108.9 -86.3 179.0 -41.3 6.4 49.8 109 109 A G S S+ 0 0 17 -2,-0.1 -37,-0.1 4,-0.1 2,-0.1 0.371 75.3 112.1 -95.8 7.4 -41.8 4.7 46.5 110 110 A N S > S- 0 0 77 1,-0.1 4,-2.4 -39,-0.0 5,-0.2 -0.458 75.5-112.9 -81.0 156.9 -41.6 1.1 47.3 111 111 A Y H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.829 111.3 54.3 -54.8 -42.4 -44.7 -1.2 46.9 112 112 A E H > S+ 0 0 138 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.943 112.9 43.9 -60.1 -47.3 -45.2 -2.0 50.6 113 113 A R H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.942 114.8 48.4 -63.1 -49.7 -45.3 1.7 51.6 114 114 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.887 110.0 51.9 -59.8 -41.1 -47.5 2.7 48.6 115 115 A Q H X>S+ 0 0 31 -4,-2.6 5,-1.5 2,-0.2 4,-1.3 0.912 111.6 47.1 -63.5 -41.5 -50.0 -0.1 49.3 116 116 A N H <5S+ 0 0 102 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.916 113.9 47.8 -64.7 -42.8 -50.2 1.0 52.9 117 117 A A H <5S+ 0 0 41 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.927 116.3 42.7 -63.8 -45.3 -50.7 4.6 51.9 118 118 A A H <5S- 0 0 34 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.669 104.9-131.3 -75.0 -17.7 -53.3 3.8 49.3 119 119 A G T <5S+ 0 0 60 -4,-1.3 2,-0.3 -5,-0.2 -3,-0.2 0.763 75.1 89.7 71.9 25.2 -55.0 1.4 51.7 120 120 A K S - 0 0 72 -2,-0.3 3,-2.4 1,-0.1 4,-0.2 -0.508 33.4-109.5 -82.5 154.1 -52.9 -4.2 47.8 122 122 A R G > S+ 0 0 21 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.780 113.9 70.2 -51.0 -32.2 -51.8 -4.5 44.2 123 123 A E G 3 S+ 0 0 101 1,-0.3 -1,-0.3 57,-0.1 57,-0.1 0.747 104.8 40.4 -59.7 -22.8 -54.0 -7.5 43.8 124 124 A K G < S+ 0 0 137 -3,-2.4 -1,-0.3 56,-0.1 -2,-0.2 0.228 89.4 98.3-113.7 14.0 -57.1 -5.2 44.0 125 125 A I S < S- 0 0 15 -3,-1.5 54,-0.1 -4,-0.2 -1,-0.0 -0.888 70.4-133.1-105.9 109.4 -56.0 -2.2 42.0 126 126 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 54,-0.3 -0.268 19.5-160.7 -60.8 142.8 -57.4 -2.3 38.4 127 127 A L B +H 179 0C 3 52,-2.1 52,-2.2 50,-0.1 2,-0.3 -0.858 35.6 94.6-120.2 159.1 -55.1 -1.6 35.5 128 128 A G S > S- 0 0 0 -2,-0.3 4,-2.0 50,-0.2 47,-0.2 -0.890 83.7 -59.8 147.8-176.8 -55.9 -0.6 31.9 129 129 A F H > S+ 0 0 3 45,-0.9 4,-2.6 -2,-0.3 5,-0.2 0.931 130.8 45.7 -67.0 -45.8 -56.3 2.6 29.8 130 130 A R H > S+ 0 0 173 45,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.887 113.4 50.7 -64.3 -36.7 -59.1 4.2 31.8 131 131 A A H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 110.9 49.4 -64.5 -41.1 -57.2 3.4 35.0 132 132 A F H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.930 111.1 49.3 -61.7 -48.2 -54.1 5.0 33.5 133 133 A D H X S+ 0 0 25 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.926 112.5 48.1 -56.5 -48.1 -56.1 8.1 32.5 134 134 A S H X S+ 0 0 68 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.859 109.8 51.8 -61.8 -40.8 -57.6 8.3 36.0 135 135 A A H X S+ 0 0 5 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.904 109.3 49.7 -66.2 -40.5 -54.1 8.0 37.6 136 136 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.906 109.7 51.8 -65.7 -40.1 -52.6 10.8 35.5 137 137 A T H X S+ 0 0 43 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.917 107.0 53.2 -61.8 -43.5 -55.5 13.1 36.3 138 138 A S H <>S+ 0 0 24 -4,-2.0 5,-2.4 1,-0.2 4,-0.2 0.895 114.2 41.7 -58.7 -42.9 -55.1 12.4 40.1 139 139 A L H <5S+ 0 0 0 -4,-1.8 3,-0.4 3,-0.2 -1,-0.2 0.847 107.5 61.5 -74.6 -33.9 -51.4 13.4 39.9 140 140 A F H <5S+ 0 0 39 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.871 118.2 28.6 -60.0 -37.8 -52.0 16.3 37.5 141 141 A H T <5S- 0 0 131 -4,-1.8 -1,-0.2 -5,-0.1 3,-0.2 0.381 108.9-127.2-100.6 3.2 -54.2 18.1 40.2 142 142 A Y T 5 - 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