==== 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 27-JAN-05 1YOE . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YBEK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.MUZZOLINI,W.VERSEES,J.STEYAERT,M.DEGANO . 302 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.0 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0 0 2 1 1 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 1 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 . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 0 A G 0 0 135 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-161.6 9.7 -0.1 28.8 2 1 A S - 0 0 104 1,-0.1 28,-0.0 28,-0.0 2,-0.0 -0.425 360.0-128.5 -76.1 150.1 7.9 1.7 31.6 3 2 A A - 0 0 28 -2,-0.1 26,-0.2 1,-0.1 25,-0.1 -0.103 41.5 -69.1 -86.8-175.4 6.2 5.0 31.0 4 3 A L E -a 29 0A 57 24,-3.1 26,-2.9 23,-0.1 2,-0.3 -0.716 54.1-131.4 -80.1 117.8 6.6 8.4 32.9 5 4 A P E +a 30 0A 5 0, 0.0 112,-2.6 0, 0.0 2,-0.3 -0.509 32.5 178.5 -76.7 128.5 5.0 7.9 36.3 6 5 A I E -ab 31 117A 0 24,-2.5 26,-3.1 -2,-0.3 27,-0.7 -0.970 27.5-151.4-130.9 148.6 2.6 10.6 37.4 7 6 A L E -ab 33 118A 1 110,-2.4 112,-3.2 -2,-0.3 2,-0.5 -0.982 20.9-156.1-110.6 124.6 0.3 11.4 40.3 8 7 A L E -ab 34 119A 1 25,-2.2 27,-2.8 -2,-0.5 2,-0.4 -0.927 12.1-177.8-108.0 123.8 -2.7 13.5 39.2 9 8 A D E +ab 35 120A 0 110,-3.1 112,-2.5 -2,-0.5 113,-0.4 -0.983 22.7 145.2-121.3 126.2 -4.4 15.7 41.8 10 9 A C E -a 36 0A 0 25,-2.6 27,-2.3 -2,-0.4 112,-0.1 -0.952 48.9-133.6-159.4 169.8 -7.5 17.6 40.6 11 10 A D - 0 0 0 -2,-0.3 29,-0.3 25,-0.2 5,-0.2 -0.528 46.1-120.3-132.8 66.0 -10.9 19.0 41.3 12 11 A P + 0 0 0 0, 0.0 37,-0.2 0, 0.0 2,-0.2 -0.284 52.2 144.9 -64.4 130.2 -13.2 18.1 38.3 13 12 A G S > S- 0 0 2 36,-0.1 4,-2.4 27,-0.1 5,-0.2 -0.077 70.4 -81.1 88.8 112.6 -14.3 20.4 37.0 14 13 A H H > S+ 0 0 33 69,-0.2 4,-1.9 1,-0.2 5,-0.1 0.898 129.4 43.5 -62.3 -43.5 -14.7 20.2 33.2 15 14 A D H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.880 111.7 54.2 -74.9 -32.1 -11.1 21.0 32.2 16 15 A D H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 108.8 50.6 -57.9 -45.6 -9.8 18.7 34.9 17 16 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.896 109.5 49.2 -61.5 -40.3 -11.9 16.0 33.4 18 17 A I H X S+ 0 0 5 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.875 107.6 55.5 -68.2 -33.8 -10.5 16.7 29.9 19 18 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.905 106.8 50.2 -61.8 -41.8 -7.0 16.6 31.4 20 19 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.942 110.2 50.7 -58.6 -49.4 -7.8 13.1 32.7 21 20 A V H X S+ 0 0 3 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.919 112.1 46.3 -54.0 -48.0 -9.0 12.1 29.3 22 21 A L H >< S+ 0 0 6 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.914 112.6 49.7 -64.5 -44.1 -5.9 13.4 27.6 23 22 A A H >< S+ 0 0 2 -4,-2.5 3,-1.3 1,-0.2 6,-0.3 0.899 110.0 50.2 -62.3 -40.1 -3.6 11.7 30.1 24 23 A L H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.606 105.9 56.7 -78.3 -11.1 -5.3 8.3 29.8 25 24 A A T << S+ 0 0 4 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.264 93.5 84.2 -95.3 9.0 -5.0 8.5 26.0 26 25 A S X - 0 0 2 -3,-1.3 3,-2.4 1,-0.1 -1,-0.1 -0.851 55.1-171.0-124.5 93.5 -1.2 8.9 26.3 27 26 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 0.611 83.7 73.8 -58.3 -14.4 0.9 5.7 26.6 28 27 A E T 3 S+ 0 0 78 -25,-0.1 -24,-3.1 -5,-0.0 2,-0.4 0.666 95.4 63.9 -69.1 -19.3 4.0 7.9 27.4 29 28 A L E < -a 4 0A 17 -3,-2.4 2,-0.6 -6,-0.3 -3,-0.1 -0.866 65.4-160.1-111.8 141.0 2.4 8.5 30.8 30 29 A D E -a 5 0A 53 -26,-2.9 -24,-2.5 -2,-0.4 2,-0.8 -0.908 15.2-152.4-118.1 97.8 1.6 6.0 33.6 31 30 A V E -a 6 0A 9 -2,-0.6 -24,-0.2 -26,-0.2 3,-0.1 -0.624 13.1-175.2 -74.4 110.1 -1.0 7.6 35.8 32 31 A K E - 0 0 76 -26,-3.1 2,-0.3 -2,-0.8 -25,-0.2 0.741 62.8 -16.7 -80.6 -27.4 -0.3 5.9 39.2 33 32 A A E -a 7 0A 0 -27,-0.7 -25,-2.2 29,-0.2 2,-0.4 -0.947 53.7-138.9-168.8 155.0 -3.2 7.5 41.1 34 33 A I E -ac 8 64A 0 29,-2.2 31,-1.3 -2,-0.3 2,-0.3 -0.998 23.2-174.4-124.9 127.9 -5.8 10.2 40.8 35 34 A T E -ac 9 65A 2 -27,-2.8 -25,-2.6 -2,-0.4 2,-0.4 -0.890 18.1-125.6-119.0 155.7 -6.6 12.2 44.0 36 35 A S E -ac 10 66A 2 29,-1.7 31,-1.5 -2,-0.3 2,-0.2 -0.833 17.3-168.9-108.5 134.9 -9.2 14.9 44.5 37 36 A S - 0 0 1 -27,-2.3 2,-0.4 -2,-0.4 4,-0.2 -0.677 26.9-115.8-104.3 166.2 -8.8 18.4 45.8 38 37 A A S S+ 0 0 6 30,-0.2 87,-0.2 -2,-0.2 4,-0.2 -0.901 73.9 89.5-106.9 134.7 -11.7 20.8 46.8 39 38 A G S S+ 0 0 0 2,-1.8 40,-0.9 -2,-0.4 -1,-0.1 -0.260 82.6 44.4 177.9 -82.8 -12.1 24.0 44.8 40 39 A N S S- 0 0 37 -29,-0.3 39,-0.5 38,-0.2 2,-0.3 0.877 133.4 -4.6 -52.0 -42.9 -14.3 23.8 41.8 41 40 A Q S S- 0 0 26 -4,-0.2 -2,-1.8 37,-0.2 36,-0.1 -0.856 97.1 -66.7-139.6 176.0 -16.8 21.9 43.9 42 41 A T > - 0 0 42 -2,-0.3 4,-2.3 -4,-0.2 3,-0.3 -0.204 54.6-105.3 -57.6 157.7 -17.0 20.4 47.5 43 42 A P H > S+ 0 0 21 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.835 120.5 55.7 -62.7 -31.6 -14.7 17.5 48.2 44 43 A E H > S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.917 111.2 45.2 -64.0 -39.9 -17.6 14.9 48.0 45 44 A K H > S+ 0 0 68 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.905 111.5 49.0 -72.4 -41.8 -18.4 16.1 44.5 46 45 A T H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.905 112.8 49.5 -67.6 -36.3 -14.8 16.3 43.1 47 46 A L H X S+ 0 0 36 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.949 111.3 48.3 -61.9 -49.6 -14.1 12.8 44.4 48 47 A R H X S+ 0 0 84 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.884 110.0 54.2 -57.1 -38.7 -17.4 11.5 42.8 49 48 A N H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.868 105.7 50.4 -69.1 -37.6 -16.3 13.2 39.5 50 49 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.952 112.7 48.4 -59.9 -48.5 -12.9 11.5 39.4 51 50 A L H X S+ 0 0 13 -4,-2.2 4,-2.2 1,-0.2 42,-0.3 0.900 110.8 49.7 -59.4 -44.2 -14.7 8.2 39.9 52 51 A R H X S+ 0 0 19 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.905 111.7 48.8 -63.2 -41.3 -17.3 8.9 37.2 53 52 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 112.4 47.1 -65.6 -43.3 -14.6 9.9 34.7 54 53 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.3 0.852 111.7 52.2 -67.6 -32.6 -12.5 6.8 35.4 55 54 A T H ><5S+ 0 0 12 -4,-2.2 3,-1.4 -5,-0.2 -2,-0.2 0.954 110.7 47.8 -62.4 -50.3 -15.7 4.7 35.1 56 55 A L H 3<5S+ 0 0 38 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.890 113.9 46.8 -55.0 -44.5 -16.4 6.3 31.7 57 56 A L T 3<5S- 0 0 12 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.389 109.4-122.4 -83.1 2.8 -12.9 5.7 30.5 58 57 A N T < 5S+ 0 0 137 -3,-1.4 -3,-0.2 -4,-0.3 3,-0.1 0.888 74.8 125.8 50.4 44.7 -12.8 2.0 31.7 59 58 A R > < + 0 0 77 -5,-2.6 3,-1.5 -6,-0.1 -4,-0.1 -0.368 11.5 139.5-122.9 53.5 -9.7 2.8 33.9 60 59 A T T 3 + 0 0 67 1,-0.3 4,-0.1 -5,-0.2 -1,-0.1 0.494 61.7 77.5 -72.4 -4.7 -11.1 1.5 37.2 61 60 A D T 3 S+ 0 0 105 -7,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.616 72.0 91.1 -77.3 -16.6 -7.6 0.0 37.8 62 61 A I S < S- 0 0 3 -3,-1.5 -29,-0.2 -8,-0.1 -30,-0.1 -0.725 84.9-123.2 -83.2 121.7 -6.2 3.5 38.7 63 62 A P - 0 0 36 0, 0.0 -29,-2.2 0, 0.0 2,-0.4 -0.397 28.1-161.4 -67.9 142.0 -6.5 4.0 42.5 64 63 A V E +c 34 0A 0 31,-0.3 33,-3.5 -31,-0.2 2,-0.3 -0.959 11.0 179.4-125.2 137.8 -8.4 7.0 43.6 65 64 A A E -c 35 0A 0 -31,-1.3 -29,-1.7 -2,-0.4 2,-0.2 -0.997 26.6-123.5-139.9 142.2 -8.5 8.8 47.0 66 65 A G E -c 36 0A 23 33,-0.4 35,-1.5 -2,-0.3 36,-0.2 -0.580 33.2-156.2 -77.6 139.8 -10.3 11.9 48.3 67 66 A G - 0 0 17 -31,-1.5 -30,-0.1 1,-0.3 -1,-0.1 0.010 39.8 -23.4 -99.9-155.3 -8.1 14.7 49.7 68 67 A A - 0 0 24 1,-0.1 -1,-0.3 -30,-0.0 -30,-0.2 -0.179 48.5-142.3 -57.1 143.4 -8.3 17.6 52.1 69 68 A V S S+ 0 0 97 1,-0.1 -1,-0.1 -3,-0.1 7,-0.1 0.601 78.3 5.3 -87.5 -12.0 -11.9 18.9 52.7 70 69 A K S S- 0 0 72 -28,-0.1 5,-0.1 5,-0.1 -1,-0.1 -0.965 92.4 -70.1-158.8 165.9 -10.8 22.6 52.9 71 70 A P - 0 0 3 0, 0.0 96,-0.1 0, 0.0 5,-0.1 -0.162 51.7-105.3 -57.4 158.6 -7.8 24.9 52.4 72 71 A L S S+ 0 0 52 1,-0.2 95,-0.1 3,-0.1 3,-0.0 0.888 109.4 1.8 -52.2 -48.9 -5.0 24.8 55.0 73 72 A M S S+ 0 0 139 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.161 122.6 66.4-130.6 12.9 -5.9 28.0 56.8 74 73 A R S S- 0 0 57 92,-0.1 2,-0.1 -3,-0.1 3,-0.1 -0.922 81.1-100.8-138.2 157.8 -9.0 29.3 55.0 75 74 A E - 0 0 151 -2,-0.3 2,-0.2 -5,-0.1 -2,-0.1 -0.481 51.2 -95.5 -75.5 152.2 -12.6 28.3 54.6 76 75 A L - 0 0 44 -2,-0.1 2,-0.4 -7,-0.1 -1,-0.1 -0.501 37.7-172.9 -69.5 132.6 -13.5 26.6 51.3 77 76 A I - 0 0 62 -2,-0.2 2,-0.3 -39,-0.1 -36,-0.1 -0.949 13.3-152.8-116.9 145.1 -14.9 28.8 48.6 78 77 A I 0 0 70 -2,-0.4 -38,-0.2 1,-0.1 -37,-0.2 -0.808 360.0 360.0-118.7 161.9 -16.1 27.0 45.5 79 78 A A 0 0 74 -40,-0.9 -1,-0.1 -39,-0.5 -40,-0.0 -0.059 360.0 360.0 -57.1 360.0 -16.5 27.9 41.8 80 ! 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 81 84 A E 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 2.8 -24.8 21.4 40.6 82 85 A S - 0 0 29 -41,-0.1 -33,-0.1 -34,-0.0 -34,-0.1 0.733 360.0-119.5 -83.9 -25.8 -22.5 18.4 40.1 83 86 A G S S+ 0 0 12 -43,-0.1 -69,-0.2 -42,-0.0 -72,-0.0 0.217 107.0 61.2 98.9 -11.8 -19.3 20.1 39.0 84 87 A L S S+ 0 0 2 -71,-0.1 -71,-0.0 -72,-0.1 5,-0.0 -0.213 75.9 167.0-133.0 41.1 -19.3 18.2 35.7 85 88 A D + 0 0 53 1,-0.2 134,-0.1 134,-0.0 135,-0.1 -0.202 44.1 49.0 -68.2 148.5 -22.7 19.4 34.3 86 89 A G S S+ 0 0 42 1,-0.2 -1,-0.2 133,-0.1 130,-0.1 -0.777 91.6 63.0 129.1 -86.1 -23.6 18.9 30.6 87 90 A P S S- 0 0 10 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.332 83.5-112.3 -71.8 151.4 -23.1 15.2 29.6 88 91 A A - 0 0 93 -3,-0.1 -3,-0.0 -2,-0.1 124,-0.0 -0.783 43.7-167.5 -77.1 120.3 -24.9 12.2 31.1 89 92 A L - 0 0 21 -2,-0.6 2,-0.1 1,-0.0 -36,-0.1 -0.838 21.0-104.1-112.9 152.2 -22.1 10.4 33.0 90 93 A P - 0 0 49 0, 0.0 -34,-0.2 0, 0.0 -35,-0.1 -0.405 33.8-109.4 -71.5 148.6 -22.1 6.9 34.4 91 94 A E - 0 0 115 1,-0.1 2,-0.0 -2,-0.1 -43,-0.0 -0.460 53.8 -85.6 -62.5 148.4 -22.5 6.3 38.2 92 95 A P - 0 0 39 0, 0.0 -40,-0.1 0, 0.0 -1,-0.1 -0.356 33.4-164.6 -60.3 140.3 -19.1 5.0 39.6 93 96 A T S S+ 0 0 110 -42,-0.3 2,-0.3 -3,-0.1 -41,-0.1 0.310 72.8 47.3-102.8 1.4 -18.6 1.2 39.3 94 97 A F S S- 0 0 41 -43,-0.1 -39,-0.1 0, 0.0 -43,-0.0 -0.931 77.7-118.8-142.2 164.8 -15.8 1.2 41.8 95 98 A A - 0 0 67 -2,-0.3 -31,-0.3 -35,-0.1 3,-0.1 -0.720 28.5-110.4-103.9 151.1 -14.9 2.6 45.2 96 99 A P - 0 0 39 0, 0.0 -31,-0.2 0, 0.0 -1,-0.1 -0.347 50.0 -85.9 -69.0 161.2 -12.1 5.0 46.2 97 100 A Q - 0 0 85 -33,-3.5 2,-1.4 1,-0.1 -31,-0.3 -0.310 38.1-112.3 -63.8 152.8 -9.2 3.6 48.3 98 101 A N S S+ 0 0 175 -3,-0.1 2,-0.3 -33,-0.1 -1,-0.1 -0.318 92.2 71.0 -86.8 54.5 -9.8 3.5 52.0 99 102 A C S S- 0 0 32 -2,-1.4 -33,-0.4 -33,-0.0 2,-0.1 -0.903 86.6 -90.1-152.5 173.1 -7.1 6.2 52.7 100 103 A T > - 0 0 68 -2,-0.3 4,-2.3 -35,-0.1 -33,-0.2 -0.448 38.6-106.3 -86.5 168.2 -6.6 9.9 52.1 101 104 A A H > S+ 0 0 0 -35,-1.5 4,-2.8 2,-0.2 5,-0.2 0.918 122.0 50.3 -56.0 -48.0 -5.1 11.6 49.0 102 105 A V H > S+ 0 0 21 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.920 109.9 51.2 -60.8 -41.6 -1.8 12.3 50.9 103 106 A E H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 111.8 46.7 -60.9 -42.0 -1.6 8.7 52.0 104 107 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.904 113.4 48.0 -70.2 -40.0 -2.1 7.5 48.5 105 108 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.942 113.2 48.5 -61.9 -47.2 0.5 9.9 47.1 106 109 A A H X S+ 0 0 1 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.902 110.3 50.7 -59.5 -45.9 3.0 8.9 49.8 107 110 A K H X S+ 0 0 100 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.921 111.1 49.7 -58.0 -46.8 2.4 5.2 49.2 108 111 A T H X S+ 0 0 12 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.924 111.9 47.1 -56.4 -48.0 3.0 5.8 45.5 109 112 A L H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.904 114.4 47.5 -65.2 -41.3 6.3 7.7 46.1 110 113 A R H < S+ 0 0 133 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.893 114.3 45.9 -63.0 -44.1 7.5 5.0 48.6 111 114 A E H < S+ 0 0 151 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.757 93.3 104.3 -71.0 -27.7 6.7 2.2 46.2 112 115 A S < - 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0 0 145 1,-0.1 -1,-0.3 33,-0.1 6,-0.2 -0.238 65.5-118.1 -67.3 150.1 -4.3 39.8 35.8 154 157 A G - 0 0 8 4,-2.3 7,-0.3 3,-0.2 -1,-0.1 -0.316 2.5-144.7 -81.3 167.2 -6.3 37.2 37.8 155 158 A N S S+ 0 0 45 5,-0.3 6,-0.2 -2,-0.1 -1,-0.1 0.361 98.3 36.4-110.0 -0.2 -9.6 35.5 36.9 156 159 A W S S+ 0 0 112 4,-2.1 5,-0.2 1,-0.7 3,-0.0 0.724 131.3 6.2-117.9 -50.1 -11.0 35.4 40.4 157 160 A T S S- 0 0 34 3,-1.8 -1,-0.7 107,-0.1 3,-0.4 -0.829 93.6 -91.6-123.0 168.1 -9.9 38.6 42.1 158 161 A P S S+ 0 0 107 0, 0.0 -4,-2.3 0, 0.0 105,-0.1 0.849 125.0 23.6 -48.9 -40.3 -8.0 41.5 40.3 159 162 A A S S+ 0 0 20 103,-0.4 108,-0.4 -6,-0.2 2,-0.4 0.531 114.6 73.2-103.8 -8.8 -4.6 40.0 41.1 160 163 A A - 0 0 0 -3,-0.4 -4,-2.1 106,-0.2 -3,-1.8 -0.901 62.7-139.9-124.1 137.3 -5.3 36.3 41.7 161 164 A E > - 0 0 6 104,-0.5 4,-2.6 -2,-0.4 3,-0.3 -0.581 37.7-109.7 -79.3 150.0 -6.2 33.2 39.7 162 165 A F H > S+ 0 0 13 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.880 110.3 50.5 -50.2 -55.1 -8.8 30.9 41.3 163 166 A N H > S+ 0 0 8 1,-0.2 4,-1.0 2,-0.2 -39,-0.4 0.872 116.2 41.3 -58.7 -41.5 -6.7 27.8 42.3 164 167 A I H 4 S+ 0 0 1 -3,-0.3 3,-0.4 1,-0.2 7,-0.2 0.907 112.5 55.6 -71.4 -42.5 -4.1 29.9 44.1 165 168 A Y H < S+ 0 0 71 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.852 101.3 58.0 -57.7 -38.2 -6.7 32.2 45.6 166 169 A V H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.883 130.3 8.3 -61.6 -39.2 -8.5 29.2 47.2 167 170 A D X + 0 0 0 -4,-1.0 4,-1.9 -3,-0.4 -43,-0.4 -0.606 68.3 163.9-144.7 80.0 -5.4 28.1 49.1 168 171 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.897 79.7 55.4 -65.8 -40.2 -2.5 30.7 48.8 169 172 A E H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.905 108.0 48.7 -59.2 -44.7 -0.6 29.2 51.7 170 173 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 111.9 49.1 -62.0 -42.1 -0.6 25.7 50.0 171 174 A A H X S+ 0 0 1 -4,-1.9 4,-2.5 -7,-0.2 -2,-0.2 0.925 109.9 51.4 -63.1 -43.8 0.6 27.3 46.8 172 175 A E H X S+ 0 0 41 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.904 107.3 53.8 -59.9 -41.6 3.4 29.2 48.6 173 176 A I H < S+ 0 0 32 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.922 109.3 49.0 -58.4 -44.7 4.5 25.9 50.3 174 177 A V H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 5,-0.4 0.954 112.8 46.0 -58.0 -51.5 4.8 24.3 46.8 175 178 A F H 3< S+ 0 0 4 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.793 115.8 46.5 -65.4 -28.8 6.8 27.2 45.4 176 179 A Q T 3< S+ 0 0 133 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.384 88.3 95.1 -86.0 -2.6 9.1 27.3 48.5 177 180 A S S < S- 0 0 26 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.656 88.1-125.2 -73.6 -19.9 9.6 23.5 48.5 178 181 A G S S+ 0 0 77 1,-0.4 -1,-0.1 -3,-0.4 -3,-0.1 0.430 74.3 118.7 84.4 0.5 12.9 23.2 46.5 179 182 A I S S- 0 0 11 -5,-0.4 -1,-0.4 1,-0.1 -2,-0.1 -0.816 80.7 -95.0 -94.0 138.2 11.3 20.8 44.1 180 183 A P - 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