==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-11 3TLZ . COMPND 2 MOLECULE: MCCF; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.AGARWAL,S.K.NAIR . 670 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 62 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 5 2 2 0 0 2 0 2 1 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 2 6 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 PARALLEL BRIDGES PER LADDER . 4 4 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 2 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 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 7 A P 0 0 102 0, 0.0 2,-0.5 0, 0.0 126,-0.2 0.000 360.0 360.0 360.0 148.9 24.4 -2.3 18.3 2 8 A L B -a 127 0A 51 124,-1.7 126,-2.3 120,-0.1 2,-0.4 -0.720 360.0-158.8 -80.3 126.9 27.8 -0.7 18.2 3 9 A L - 0 0 37 -2,-0.5 331,-0.2 124,-0.2 2,-0.1 -0.903 9.1-138.7-118.1 136.2 28.0 2.0 20.9 4 10 A A - 0 0 0 329,-0.5 331,-2.8 -2,-0.4 102,-0.2 -0.440 37.1 -92.0 -79.7 159.4 30.2 5.0 21.3 5 11 A A - 0 0 53 100,-0.6 102,-0.2 329,-0.2 -1,-0.1 -0.464 52.6 -99.9 -66.0 143.7 31.8 6.1 24.6 6 12 A P - 0 0 51 0, 0.0 152,-0.2 0, 0.0 2,-0.1 -0.251 36.8-106.3 -66.0 154.9 29.6 8.6 26.6 7 13 A L - 0 0 5 150,-2.0 2,-0.3 147,-0.1 327,-0.0 -0.439 36.6-169.7 -74.9 154.5 30.4 12.3 26.5 8 14 A A > - 0 0 46 -2,-0.1 3,-2.0 0, 0.0 70,-0.1 -0.988 34.7 -86.7-143.5 150.8 31.9 14.0 29.5 9 15 A V T 3 S+ 0 0 111 -2,-0.3 32,-0.1 1,-0.3 33,-0.1 -0.336 116.4 27.8 -53.6 130.7 32.5 17.6 30.6 10 16 A G T 3 S+ 0 0 35 1,-0.3 -1,-0.3 30,-0.2 33,-0.1 0.364 89.9 140.6 95.0 -3.2 35.9 18.7 29.2 11 17 A D < - 0 0 37 -3,-2.0 32,-2.2 31,-0.1 2,-0.5 -0.139 55.7-106.3 -66.5 165.0 35.8 16.4 26.2 12 18 A T E -bc 43 77B 23 64,-0.6 66,-2.2 30,-0.2 67,-1.3 -0.850 29.8-164.6 -97.9 126.9 37.0 17.3 22.7 13 19 A I E -bc 44 79B 0 30,-3.1 32,-2.5 -2,-0.5 2,-0.4 -0.955 3.5-158.1-110.9 125.8 34.4 17.9 20.0 14 20 A G E -bc 45 80B 0 65,-2.7 67,-3.3 -2,-0.5 2,-0.4 -0.856 9.3-154.7 -99.8 139.6 35.4 17.9 16.3 15 21 A F E -bc 46 81B 8 30,-2.3 32,-1.4 -2,-0.4 2,-0.3 -0.915 10.5-174.9-119.2 147.5 33.2 19.7 13.7 16 22 A F E - c 0 82B 0 65,-1.5 67,-2.6 -2,-0.4 2,-0.6 -0.934 23.1-139.5-136.2 155.3 32.8 19.2 10.0 17 23 A S + 0 0 0 -2,-0.3 41,-0.2 65,-0.2 50,-0.1 -0.859 24.5 169.4-118.5 92.7 31.0 20.8 7.1 18 24 A S S S- 0 0 0 -2,-0.6 74,-0.1 66,-0.4 73,-0.1 0.509 74.6 -4.2 -84.7 -4.7 29.6 18.1 4.9 19 25 A S S S+ 0 0 1 1,-0.4 39,-1.8 65,-0.3 40,-0.2 0.007 115.7 41.1-145.4-103.5 27.4 20.4 2.8 20 26 A A - 0 0 26 65,-2.0 2,-1.7 37,-0.2 -1,-0.4 -0.317 69.9-128.2 -64.9 138.9 26.8 24.2 3.0 21 27 A P >> + 0 0 6 0, 0.0 4,-2.0 0, 0.0 3,-1.7 -0.346 50.7 150.5 -84.8 59.2 29.8 26.4 3.9 22 28 A A H 3> + 0 0 4 -2,-1.7 4,-2.0 1,-0.3 8,-0.3 0.599 56.8 76.1 -74.1 -12.4 28.1 28.1 6.8 23 29 A T H 34 S+ 0 0 3 -3,-0.2 -1,-0.3 29,-0.2 8,-0.1 0.762 114.0 28.0 -64.0 -21.5 31.3 28.7 8.8 24 30 A V H X4 S+ 0 0 60 -3,-1.7 3,-1.0 28,-0.2 -2,-0.2 0.824 125.9 43.1 -99.0 -50.5 31.8 31.4 6.1 25 31 A T H 3< S+ 0 0 92 -4,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.685 129.6 28.9 -76.9 -19.1 28.2 32.4 5.2 26 32 A A T 3X S+ 0 0 3 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.3 -0.345 77.4 146.0-131.1 51.6 27.0 32.4 8.8 27 33 A K H <> + 0 0 116 -3,-1.0 4,-2.7 1,-0.2 5,-0.2 0.826 68.6 54.1 -62.1 -38.2 30.2 33.3 10.5 28 34 A N H > S+ 0 0 77 153,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.947 113.5 41.6 -60.9 -49.7 28.6 35.3 13.3 29 35 A R H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.877 112.8 55.8 -66.6 -38.4 26.4 32.5 14.3 30 36 A F H X S+ 0 0 13 -4,-2.6 4,-2.4 -8,-0.3 -2,-0.2 0.945 108.4 46.7 -55.9 -52.0 29.3 30.0 13.9 31 37 A F H X S+ 0 0 95 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.863 109.6 54.8 -61.5 -36.6 31.5 32.0 16.3 32 38 A R H X S+ 0 0 39 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.918 109.7 47.1 -60.5 -44.5 28.5 32.2 18.8 33 39 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.907 111.9 49.7 -62.7 -45.7 28.2 28.4 18.7 34 40 A V H X S+ 0 0 23 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.947 114.0 45.2 -56.2 -52.1 32.0 27.9 19.2 35 41 A E H X S+ 0 0 80 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.861 109.7 56.5 -63.4 -37.5 32.1 30.3 22.1 36 42 A F H X S+ 0 0 25 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.940 112.0 40.2 -59.0 -50.8 28.9 28.7 23.7 37 43 A L H <>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 3,-0.3 0.837 112.8 55.8 -70.8 -33.0 30.5 25.2 23.8 38 44 A Q H ><5S+ 0 0 104 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.873 104.1 53.8 -64.7 -38.5 33.9 26.5 24.9 39 45 A R H 3<5S+ 0 0 186 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.722 102.2 59.2 -68.5 -21.6 32.2 28.2 27.9 40 46 A K T 3<5S- 0 0 78 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.530 127.1-102.1 -80.5 -9.6 30.7 24.8 28.8 41 47 A G T < 5S+ 0 0 38 -3,-1.3 -3,-0.2 1,-0.3 2,-0.2 0.437 74.7 140.1 104.3 2.7 34.3 23.5 29.0 42 48 A F < - 0 0 7 -5,-2.0 2,-0.4 -33,-0.1 -1,-0.3 -0.519 46.3-136.6 -79.4 143.7 34.6 21.6 25.7 43 49 A K E -b 12 0B 141 -32,-2.2 -30,-3.1 -2,-0.2 2,-0.4 -0.817 23.6-145.7 -93.4 140.7 37.7 21.7 23.6 44 50 A L E -b 13 0B 36 -2,-0.4 2,-0.5 -32,-0.2 -30,-0.2 -0.913 13.7-162.4-116.5 136.0 37.0 22.1 19.9 45 51 A V E -b 14 0B 45 -32,-2.5 -30,-2.3 -2,-0.4 2,-0.5 -0.974 21.0-139.1-112.2 120.8 38.8 20.7 16.8 46 52 A S E -b 15 0B 63 -2,-0.5 -30,-0.1 -32,-0.2 -32,-0.1 -0.673 18.6-122.7 -81.0 125.1 38.0 22.6 13.6 47 53 A G > - 0 0 5 -32,-1.4 3,-2.0 -2,-0.5 -31,-0.1 -0.303 29.8-106.8 -60.5 153.0 37.5 20.4 10.5 48 54 A K T 3 S+ 0 0 101 1,-0.3 -1,-0.1 19,-0.2 -32,-0.1 0.614 115.8 58.3 -64.6 -14.5 39.9 21.2 7.6 49 55 A L T > S+ 0 0 8 15,-0.1 3,-2.0 14,-0.1 -1,-0.3 0.410 73.4 125.7 -96.6 2.7 37.1 22.8 5.5 50 56 A T T < S+ 0 0 30 -3,-2.0 3,-0.1 1,-0.3 -4,-0.0 -0.403 79.1 16.6 -60.4 130.9 36.3 25.5 8.1 51 57 A G T 3 S+ 0 0 53 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.446 104.9 114.5 84.8 2.5 36.5 28.9 6.5 52 58 A K < - 0 0 117 -3,-2.0 2,-0.4 2,-0.0 -1,-0.3 -0.751 44.7-164.9-107.5 150.7 36.4 27.6 3.0 53 59 A T + 0 0 85 -2,-0.3 5,-0.2 -3,-0.1 3,-0.1 -0.999 22.9 178.0-134.0 140.0 33.9 27.9 0.2 54 60 A D B > -G 57 0C 25 3,-3.2 3,-1.3 -2,-0.4 2,-0.8 -0.579 66.2 -95.6-126.8 65.8 33.2 26.2 -3.1 55 61 A F T 3 S+ 0 0 106 1,-0.3 -1,-0.1 3,-0.1 557,-0.1 -0.455 111.8 12.5 61.2 -98.8 30.1 28.2 -3.9 56 62 A Y T 3 S+ 0 0 28 -2,-0.8 -1,-0.3 555,-0.2 2,-0.3 0.511 133.0 39.8 -85.4 -7.0 27.1 26.1 -2.7 57 63 A R B < S-G 54 0C 8 -3,-1.3 -3,-3.2 -37,-0.2 -37,-0.2 -0.851 82.4-112.3-139.0 170.1 29.3 23.7 -0.7 58 64 A S S S- 0 0 2 -39,-1.8 2,-0.3 -2,-0.3 -3,-0.1 0.701 87.0 -44.9 -78.9 -22.4 32.4 23.6 1.6 59 65 A G S S- 0 0 2 -40,-0.2 -1,-0.2 -5,-0.2 -5,-0.1 -0.971 82.3 -39.8 174.3-176.1 34.5 21.7 -0.9 60 66 A T > - 0 0 48 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.121 60.7-102.5 -63.3 164.9 34.6 18.8 -3.4 61 67 A I H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.939 125.2 43.7 -52.4 -49.4 32.9 15.4 -2.6 62 68 A K H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.863 110.2 55.0 -69.4 -36.5 36.3 13.9 -1.8 63 69 A E H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 110.2 47.4 -59.4 -42.1 37.5 17.0 0.2 64 70 A R H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.879 110.9 49.8 -70.3 -39.1 34.4 16.7 2.4 65 71 A A H X S+ 0 0 3 -4,-2.0 4,-2.7 -5,-0.2 32,-0.2 0.914 111.3 51.0 -62.0 -43.1 34.8 12.9 2.9 66 72 A Q H X S+ 0 0 92 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.905 106.2 54.2 -59.6 -45.3 38.5 13.6 3.9 67 73 A E H X S+ 0 0 1 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.918 113.2 42.7 -55.9 -46.6 37.4 16.3 6.4 68 74 A F H >X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 3,-0.8 0.936 112.8 51.5 -65.5 -49.7 35.1 13.8 8.1 69 75 A N H 3X S+ 0 0 12 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.874 103.6 59.0 -56.9 -40.5 37.5 10.9 8.0 70 76 A E H 3< S+ 0 0 77 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.803 104.5 50.6 -61.0 -31.6 40.3 13.0 9.6 71 77 A L H X< S+ 0 0 6 -4,-0.9 3,-0.7 -3,-0.8 6,-0.2 0.873 107.9 52.7 -72.3 -37.9 38.1 13.6 12.7 72 78 A V H 3< S+ 0 0 3 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.859 106.9 54.0 -61.3 -36.7 37.4 9.8 12.9 73 79 A Y T 3< S+ 0 0 112 -4,-1.9 -1,-0.2 2,-0.0 -2,-0.2 0.624 86.4 96.9 -74.4 -15.2 41.2 9.2 12.9 74 80 A N X - 0 0 44 -3,-0.7 3,-1.3 -4,-0.4 -60,-0.1 -0.690 58.9-162.4 -83.7 112.1 41.8 11.6 15.8 75 81 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.667 86.3 62.5 -69.6 -16.6 42.0 9.7 19.1 76 82 A D T 3 S+ 0 0 115 -65,-0.0 -64,-0.6 2,-0.0 2,-0.4 0.655 84.5 93.6 -78.9 -18.4 41.3 12.8 21.2 77 83 A I E < +c 12 0B 3 -3,-1.3 -64,-0.2 -6,-0.2 3,-0.1 -0.658 39.3 169.3 -87.6 125.6 37.9 13.3 19.7 78 84 A T E S+ 0 0 34 -66,-2.2 29,-2.4 -2,-0.4 2,-0.4 0.672 71.8 38.1 -99.7 -26.0 34.8 11.9 21.6 79 85 A C E -cd 13 107B 0 -67,-1.3 -65,-2.7 27,-0.2 2,-0.6 -0.994 60.7-160.3-135.0 127.1 32.1 13.7 19.5 80 86 A I E -cd 14 108B 1 27,-3.5 29,-2.4 -2,-0.4 2,-0.4 -0.945 23.6-171.7-105.9 116.6 32.0 14.5 15.8 81 87 A M E -cd 15 109B 1 -67,-3.3 -65,-1.5 -2,-0.6 29,-0.2 -0.919 21.6-124.3-120.3 131.4 29.5 17.3 15.3 82 88 A S E -c 16 0B 0 27,-2.3 53,-2.8 -2,-0.4 -65,-0.2 -0.422 7.7-151.6 -65.0 141.1 28.0 18.8 12.1 83 89 A T S S- 0 0 0 -67,-2.6 53,-2.4 1,-0.4 2,-0.3 0.899 73.6 -38.4 -74.2 -44.7 28.4 22.5 11.6 84 90 A I - 0 0 29 -68,-0.4 -66,-0.4 52,-0.2 -1,-0.4 -0.950 57.8-119.3-169.9 166.5 25.2 22.7 9.5 85 91 A G + 0 0 8 -2,-0.3 -65,-2.0 -3,-0.1 2,-0.4 0.430 32.5 154.7 -90.3-129.8 23.4 20.7 6.8 86 92 A G - 0 0 34 -67,-0.2 -1,-0.1 1,-0.1 27,-0.1 -0.932 62.9 -62.5 140.0-115.2 22.4 21.7 3.3 87 93 A D S S+ 0 0 51 -2,-0.4 3,-0.2 25,-0.0 -1,-0.1 0.453 107.8 65.0-145.2 -15.0 21.9 19.3 0.4 88 94 A N > + 0 0 0 1,-0.2 3,-1.2 2,-0.1 4,-0.3 0.276 53.1 104.4-121.0 11.4 25.0 17.3 -0.3 89 95 A S G > S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 4,-0.4 0.801 74.5 71.6 -67.9 -25.8 26.2 14.9 2.4 90 96 A N G > S+ 0 0 1 1,-0.3 3,-1.2 -3,-0.2 -1,-0.2 0.814 86.2 68.4 -58.2 -28.2 24.9 11.9 0.6 91 97 A S G < S+ 0 0 1 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.782 93.2 58.7 -57.0 -31.0 27.8 12.4 -1.9 92 98 A L G X> S+ 0 0 0 -3,-1.8 3,-2.3 -4,-0.3 4,-0.5 0.691 78.6 92.5 -74.1 -21.3 30.3 11.5 0.8 93 99 A L G X4 S+ 0 0 0 -3,-1.2 3,-0.7 -4,-0.4 -1,-0.2 0.767 81.0 51.2 -56.3 -38.0 29.0 8.0 1.5 94 100 A P G 34 S+ 0 0 47 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.690 114.2 47.7 -69.4 -12.1 31.1 5.9 -0.9 95 101 A F G <4 S+ 0 0 53 -3,-2.3 -2,-0.2 -4,-0.1 2,-0.2 0.381 80.5 113.0-113.6 -0.1 34.3 7.6 0.6 96 102 A L S << S- 0 0 10 -3,-0.7 2,-1.6 -4,-0.5 3,-0.2 -0.495 72.1-119.1 -76.4 145.4 33.8 7.3 4.3 97 103 A D > + 0 0 48 -32,-0.2 4,-1.8 1,-0.2 3,-0.2 -0.629 39.0 171.0 -87.2 83.2 36.2 5.1 6.3 98 104 A Y H > S+ 0 0 30 -2,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.829 75.1 56.9 -64.5 -34.7 33.7 2.7 7.8 99 105 A D H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 108.6 47.3 -62.1 -40.7 36.4 0.3 9.1 100 106 A A H > S+ 0 0 11 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.842 108.9 54.0 -69.4 -35.3 37.9 3.3 11.0 101 107 A I H < S+ 0 0 2 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.896 111.5 45.8 -63.7 -41.2 34.5 4.2 12.4 102 108 A I H < S+ 0 0 77 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.904 115.8 45.7 -65.8 -43.7 34.0 0.6 13.6 103 109 A A H < S+ 0 0 73 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.811 126.0 31.0 -69.5 -32.5 37.6 0.6 15.1 104 110 A N S < S- 0 0 73 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.1 -0.587 81.9-165.7-128.2 68.8 37.1 4.0 16.7 105 111 A P + 0 0 44 0, 0.0 -100,-0.6 0, 0.0 2,-0.3 -0.333 15.9 170.6 -62.7 133.0 33.4 4.5 17.6 106 112 A K - 0 0 18 -102,-0.2 2,-0.6 -5,-0.1 -27,-0.2 -0.886 43.5 -88.5-134.8 164.1 32.5 8.1 18.4 107 113 A I E -d 79 0B 0 -29,-2.4 -27,-3.5 -2,-0.3 2,-0.5 -0.695 42.8-165.9 -74.1 116.5 29.3 10.2 19.0 108 114 A I E +d 80 0B 3 -2,-0.6 22,-2.7 20,-0.3 2,-0.4 -0.950 14.9 174.4-109.7 123.2 28.2 11.4 15.6 109 115 A I E +de 81 130B 0 -29,-2.4 -27,-2.3 -2,-0.5 2,-0.3 -0.983 16.8 96.3-140.3 139.5 25.6 14.1 15.8 110 116 A G E - e 0 131B 0 20,-1.5 22,-2.0 -2,-0.4 2,-0.3 -0.957 39.3-137.2 171.5-170.5 23.7 16.5 13.5 111 117 A Y > + 0 0 18 -2,-0.3 3,-2.0 20,-0.2 2,-0.1 -0.891 58.2 33.2-156.1-174.0 20.4 16.8 11.7 112 118 A S G > S+ 0 0 22 1,-0.3 3,-2.3 -2,-0.3 100,-0.4 -0.343 127.8 6.8 59.7-126.2 18.7 17.8 8.4 113 119 A D G > S+ 0 0 2 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.789 121.5 72.6 -56.2 -28.8 20.9 16.9 5.4 114 120 A T G X> S+ 0 0 1 -3,-2.0 4,-2.4 1,-0.3 3,-1.0 0.653 72.7 88.5 -65.8 -12.5 23.4 15.2 7.8 115 121 A T H <> S+ 0 0 0 -3,-2.3 4,-3.1 1,-0.2 5,-0.5 0.852 77.6 64.3 -45.8 -39.9 20.7 12.5 8.0 116 122 A A H <> S+ 0 0 0 -3,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.895 108.7 38.4 -57.1 -40.2 22.5 10.9 5.0 117 123 A L H <> S+ 0 0 0 -3,-1.0 4,-2.8 -4,-0.3 5,-0.3 0.889 116.0 51.1 -76.2 -42.3 25.6 10.4 7.1 118 124 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.947 119.4 35.9 -61.6 -49.7 23.7 9.4 10.3 119 125 A A H X S+ 0 0 6 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.896 117.9 52.2 -70.8 -42.6 21.6 6.8 8.5 120 126 A G H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.5 -2,-0.2 0.892 110.2 47.5 -61.1 -43.7 24.4 5.7 6.1 121 127 A I H X>S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 6,-0.5 0.917 112.7 49.8 -65.4 -42.6 26.9 5.1 9.0 122 128 A Y H X5S+ 0 0 36 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.932 110.2 50.7 -58.9 -46.7 24.3 3.1 10.9 123 129 A A H <5S+ 0 0 39 -4,-2.7 -1,-0.2 101,-0.4 -2,-0.2 0.885 118.5 37.8 -58.1 -41.1 23.5 1.0 7.8 124 130 A K H <5S+ 0 0 80 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.757 135.0 15.4 -83.0 -28.9 27.2 0.2 7.3 125 131 A T H <5S- 0 0 22 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.595 86.8-123.1-125.5 -21.0 28.5 -0.2 10.8 126 132 A G << + 0 0 23 -4,-2.3 -124,-1.7 -5,-0.5 2,-0.2 0.541 56.9 155.3 77.1 8.1 25.5 -0.6 13.3 127 133 A L B -a 2 0A 0 -6,-0.5 2,-0.8 -126,-0.2 -1,-0.3 -0.492 48.4-123.1 -69.2 131.7 26.8 2.4 15.2 128 134 A I - 0 0 0 -126,-2.3 -124,-0.3 -2,-0.2 -20,-0.3 -0.696 38.9-177.1 -77.0 108.9 24.2 4.3 17.2 129 135 A T E - F 0 314B 1 -2,-0.8 185,-2.7 185,-0.5 2,-0.4 -0.517 18.6-114.1-102.8 174.7 24.3 7.9 15.9 130 136 A F E -eF 109 313B 0 -22,-2.7 -20,-1.5 183,-0.2 2,-0.8 -0.941 5.6-149.8-127.5 128.1 22.4 10.9 17.1 131 137 A Y E +eF 110 312B 0 181,-3.1 181,-3.1 -2,-0.4 -20,-0.2 -0.845 64.4 94.7 -85.8 112.9 19.7 13.2 15.6 132 138 A G - 0 0 0 -22,-2.0 179,-0.1 -2,-0.8 178,-0.1 -0.921 63.4 -0.4-177.3-167.7 20.5 16.4 17.4 133 139 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -51,-0.3 -0.013 41.5-157.4 -51.1 135.9 22.3 19.7 17.5 134 140 A A >> - 0 0 1 -24,-0.1 4,-1.9 -53,-0.1 5,-1.1 -0.893 30.2-116.1-105.0 147.5 24.6 21.1 14.8 135 141 A L H >5S+ 0 0 1 -53,-2.8 4,-0.8 -2,-0.4 5,-0.3 0.869 104.2 35.9 -53.4 -50.8 27.1 23.7 15.8 136 142 A I H >5S+ 0 0 0 -53,-2.4 4,-1.1 3,-0.2 -1,-0.2 0.982 124.7 32.3 -75.7 -59.6 25.8 26.7 13.9 137 143 A P H 45S+ 0 0 8 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.889 129.7 34.8 -69.5 -33.8 22.0 26.5 13.8 138 144 A S H <5S+ 0 0 2 -4,-1.9 3,-0.5 2,-0.1 -3,-0.2 0.932 127.7 29.8 -86.6 -48.9 21.6 24.8 17.2 139 145 A F H < - 0 0 36 37,-0.3 4,-1.2 1,-0.1 3,-0.5 -0.414 48.7 -62.1 -71.4 153.1 20.5 33.1 21.3 143 149 A P T 4 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.374 108.2 39.6 -56.6 153.2 19.2 32.4 24.8 144 150 A P T >> S+ 0 0 76 0, 0.0 3,-0.9 0, 0.0 4,-0.8 -0.982 121.6 40.8 -85.1 -18.2 16.7 31.4 26.1 145 151 A L H 3> S+ 0 0 11 -3,-0.5 4,-1.8 1,-0.3 3,-0.5 0.820 107.4 60.9 -67.2 -33.5 16.1 28.6 23.6 146 152 A V H 3X S+ 0 0 1 -4,-1.2 4,-2.5 1,-0.2 -1,-0.3 0.822 99.4 58.6 -59.7 -32.6 19.8 27.5 23.2 147 153 A D H <> S+ 0 0 56 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.857 105.5 48.0 -68.1 -35.4 19.9 26.6 26.9 148 154 A I H X S+ 0 0 59 -4,-0.8 4,-1.7 -3,-0.5 -1,-0.2 0.894 111.3 50.8 -71.4 -41.0 17.0 24.1 26.5 149 155 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.929 112.6 47.1 -57.3 -47.3 18.7 22.6 23.5 150 156 A Y H X S+ 0 0 21 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.890 105.4 58.8 -64.5 -40.8 22.0 22.3 25.5 151 157 A E H X S+ 0 0 112 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.900 110.4 42.9 -56.2 -42.3 20.2 20.8 28.5 152 158 A S H X S+ 0 0 4 -4,-1.7 4,-2.9 157,-0.2 5,-0.3 0.938 113.2 52.7 -67.5 -48.1 18.9 17.9 26.3 153 159 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 156,-0.3 -2,-0.2 0.930 115.0 39.8 -51.2 -53.9 22.3 17.5 24.6 154 160 A I H X S+ 0 0 31 -4,-3.0 4,-1.6 2,-0.2 5,-0.2 0.877 116.2 50.7 -70.7 -37.1 24.3 17.2 27.8 155 161 A K H X S+ 0 0 107 -4,-1.9 4,-1.8 -5,-0.3 3,-0.2 0.957 113.1 44.0 -63.9 -52.3 21.7 15.1 29.6 156 162 A I H < S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.901 119.9 40.8 -59.6 -44.0 21.3 12.5 26.8 157 163 A L H < S+ 0 0 0 -4,-1.9 -150,-2.0 -5,-0.3 -1,-0.2 0.657 123.4 34.4 -87.1 -16.9 25.0 12.1 26.1 158 164 A T H < S+ 0 0 57 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.593 88.5 110.3-112.3 -15.1 26.4 12.2 29.7 159 165 A R S < S- 0 0 33 -4,-1.8 2,-0.1 -5,-0.2 -152,-0.1 -0.194 77.8 -96.2 -63.2 151.8 23.7 10.4 31.8 160 166 A K - 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