==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-AUG-10 3OIS . COMPND 2 MOLECULE: CYSTEINE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XYLELLA FASTIDIOSA; . AUTHOR N.R.LEITE,A.R.FARO,M.A.V.OLIVA,O.H.THIEMANN,G.OLIVA . 1070 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 656 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 4 0.4 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 . 56 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.4 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 9 3 0 4 0 4 4 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 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 0 0 PARALLEL BRIDGES PER LADDER . 12 0 8 4 8 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 23 A T 0 0 115 0, 0.0 2,-0.6 0, 0.0 380,-0.0 0.000 360.0 360.0 360.0 137.4 66.5 -3.0 -32.6 2 24 A V - 0 0 136 3,-0.0 2,-0.4 379,-0.0 380,-0.0 -0.990 360.0-137.3-111.3 125.2 67.2 0.6 -31.8 3 25 A L - 0 0 24 -2,-0.6 2,-0.5 1,-0.1 375,-0.0 -0.665 27.3-118.4 -70.4 137.2 65.6 1.9 -28.7 4 26 A K - 0 0 164 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 -0.662 18.3-126.9 -83.6 122.6 64.3 5.3 -29.4 5 27 A R - 0 0 58 -2,-0.5 2,-0.2 1,-0.1 355,-0.2 -0.516 32.9-112.9 -62.0 126.4 65.8 8.1 -27.3 6 28 A R - 0 0 39 354,-2.6 2,-0.1 -2,-0.3 207,-0.1 -0.495 40.5-104.9 -67.9 131.5 62.8 10.0 -25.7 7 29 A K + 0 0 104 205,-0.6 207,-0.4 -2,-0.2 5,-0.4 -0.336 48.0 162.1 -68.8 131.5 62.7 13.5 -27.2 8 30 A K > + 0 0 20 3,-0.2 3,-2.2 -2,-0.1 2,-0.2 0.619 44.6 103.5-113.3 -31.0 64.0 16.4 -25.1 9 31 A S T 3 S+ 0 0 41 1,-0.3 45,-0.2 45,-0.1 43,-0.2 -0.440 103.9 4.6 -57.9 121.6 64.6 19.1 -27.8 10 32 A G T 3 S+ 0 0 12 43,-1.6 -1,-0.3 41,-0.3 224,-0.2 0.337 134.7 57.2 85.8 -12.2 61.6 21.4 -27.5 11 33 A Y < + 0 0 8 -3,-2.2 45,-2.0 204,-0.1 -1,-0.3 0.056 47.5 160.0-121.1-135.2 60.3 19.5 -24.4 12 34 A G + 0 0 1 202,-1.1 90,-2.7 -5,-0.4 2,-0.5 0.546 24.3 134.4 127.0 0.7 62.0 18.8 -21.1 13 35 A Y E -a 102 0A 15 201,-2.3 -1,-0.3 88,-0.2 201,-0.2 -0.778 26.5-175.2 -88.1 130.8 59.6 17.9 -18.4 14 36 A I E -a 103 0A 6 88,-2.1 90,-0.5 -2,-0.5 270,-0.1 -0.973 39.6-100.8-115.9 133.5 60.3 14.9 -16.1 15 37 A P - 0 0 8 0, 0.0 2,-0.2 0, 0.0 88,-0.1 -0.261 43.5-105.6 -54.3 142.6 57.5 14.1 -13.6 16 38 A D - 0 0 8 266,-0.1 2,-0.2 1,-0.1 244,-0.1 -0.453 23.9-120.3 -66.9 140.8 58.2 15.3 -10.1 17 39 A I - 0 0 5 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.570 44.8-110.3 -65.9 135.1 59.3 12.8 -7.4 18 40 A A - 0 0 24 -2,-0.2 2,-0.4 505,-0.1 -1,-0.1 -0.493 33.1-169.9 -75.3 146.6 56.5 13.2 -4.8 19 41 A D > - 0 0 13 -2,-0.2 3,-2.1 1,-0.1 506,-0.1 -0.972 18.5-149.8-133.6 115.5 57.3 14.8 -1.5 20 42 A I T 3 S+ 0 0 17 -2,-0.4 455,-0.1 1,-0.3 -1,-0.1 0.686 96.0 69.4 -60.4 -16.3 54.5 14.7 1.3 21 43 A R T 3 S+ 0 0 86 453,-0.1 -1,-0.3 456,-0.1 454,-0.0 0.568 71.3 127.3 -74.3 -5.7 55.9 18.1 2.6 22 44 A D < - 0 0 12 -3,-2.1 141,-0.1 1,-0.1 2,-0.1 -0.271 64.6-120.7 -60.9 128.3 54.6 19.8 -0.5 23 45 A F - 0 0 74 139,-0.4 141,-3.1 1,-0.1 2,-0.5 -0.384 21.8-129.7 -67.6 147.4 52.4 22.8 0.4 24 46 A S B -b 164 0B 78 139,-0.2 2,-0.5 -2,-0.1 141,-0.2 -0.861 10.5-132.1-100.7 128.0 48.8 22.7 -0.8 25 47 A Y - 0 0 42 139,-2.9 141,-0.4 -2,-0.5 150,-0.1 -0.692 26.5-162.7 -73.8 120.0 47.4 25.7 -2.6 26 48 A T - 0 0 74 -2,-0.5 3,-0.1 139,-0.1 139,-0.1 -0.870 4.3-150.5-116.5 102.6 44.1 26.3 -0.9 27 49 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 148,-0.1 -0.386 31.2 -97.1 -69.3 147.0 41.7 28.5 -2.8 28 50 A E >> - 0 0 109 1,-0.1 4,-2.0 146,-0.1 3,-1.0 -0.435 26.9-131.8 -57.6 129.4 39.3 30.6 -0.8 29 51 A K H 3> S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.839 107.0 59.8 -56.5 -30.3 35.9 28.8 -0.7 30 52 A S H 3> S+ 0 0 45 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.831 105.0 48.4 -66.2 -30.0 34.2 32.0 -1.7 31 53 A V H X4 S+ 0 0 33 -3,-1.0 3,-1.1 2,-0.2 -2,-0.2 0.941 110.8 49.3 -74.8 -48.3 36.2 32.1 -4.9 32 54 A I H >< S+ 0 0 44 -4,-2.0 3,-0.7 1,-0.3 -2,-0.2 0.872 109.1 54.0 -57.0 -39.4 35.4 28.5 -5.8 33 55 A A H 3< S+ 0 0 89 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.742 117.6 36.2 -66.6 -23.1 31.8 29.1 -5.1 34 56 A A T << S+ 0 0 75 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.1 -0.440 76.0 166.7-134.1 57.4 31.7 32.0 -7.5 35 57 A L < - 0 0 41 -3,-0.7 139,-0.1 1,-0.1 -3,-0.1 -0.528 33.9-123.9 -76.4 135.2 34.0 31.4 -10.5 36 58 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.312 18.8-119.1 -70.7 160.7 33.7 33.6 -13.5 37 59 A P S S+ 0 0 91 0, 0.0 187,-3.0 0, 0.0 2,-0.3 0.697 93.8 23.3 -70.7 -22.0 33.0 32.1 -16.9 38 60 A K E -C 223 0B 94 185,-0.2 2,-0.4 186,-0.1 185,-0.2 -0.993 57.7-175.4-151.1 131.4 36.3 33.4 -18.4 39 61 A V E -C 222 0B 15 183,-2.2 183,-2.0 -2,-0.3 2,-0.4 -0.999 2.7-179.4-125.8 135.9 39.7 34.5 -17.2 40 62 A D E +C 221 0B 96 -2,-0.4 181,-0.2 181,-0.2 183,-0.0 -0.760 14.3 160.6-139.0 95.4 42.5 35.9 -19.4 41 63 A L + 0 0 35 179,-3.0 180,-0.1 -2,-0.4 -1,-0.1 0.238 20.2 152.3 -92.6 5.7 45.7 36.8 -17.7 42 64 A T - 0 0 53 178,-0.2 -2,-0.1 1,-0.1 177,-0.0 -0.204 38.7-140.1 -43.3 126.4 47.8 36.7 -20.9 43 65 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 24,-0.0 -0.280 15.1-111.9 -89.3 171.9 50.6 39.2 -20.1 44 66 A P S S+ 0 0 115 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.833 88.1 95.4 -78.6 -21.0 52.1 41.8 -22.5 45 67 A F S S- 0 0 20 1,-0.1 3,-0.1 18,-0.1 22,-0.0 -0.397 79.9-118.4 -74.1 138.1 55.5 40.1 -22.8 46 68 A Q - 0 0 134 1,-0.2 -1,-0.1 -2,-0.1 197,-0.1 -0.178 34.5 -84.9 -73.6 164.5 55.7 37.9 -25.8 47 69 A V - 0 0 9 195,-0.5 190,-0.2 1,-0.1 2,-0.2 -0.222 41.8-128.9 -56.9 151.8 56.3 34.1 -25.8 48 70 A Y - 0 0 13 185,-0.4 188,-2.0 188,-0.1 2,-0.5 -0.503 9.9-130.9 -90.7 174.2 59.9 32.9 -25.6 49 71 A D B -K 235 0C 90 186,-0.2 186,-0.3 -2,-0.2 185,-0.0 -0.951 14.0-170.0-126.0 111.2 61.3 30.3 -27.9 50 72 A Q > - 0 0 0 184,-3.5 3,-0.8 -2,-0.5 5,-0.2 0.677 28.1-169.4 -76.4 -9.2 63.2 27.6 -26.0 51 73 A G T 3 - 0 0 20 183,-0.4 -41,-0.3 1,-0.2 -1,-0.2 -0.291 50.9 -13.0 56.7-140.3 64.6 26.2 -29.3 52 74 A R T 3 S+ 0 0 124 74,-0.4 77,-0.3 -43,-0.2 2,-0.2 0.128 110.6 80.5 -96.2 19.3 66.4 22.9 -29.5 53 75 A I S < S- 0 0 0 -3,-0.8 -43,-1.6 -44,-0.2 2,-1.0 -0.765 84.6-106.5-119.0 175.2 67.0 22.1 -25.9 54 76 A G S S+ 0 0 0 -2,-0.2 3,-0.4 1,-0.2 -45,-0.1 -0.292 73.4 122.9 -97.3 48.3 64.9 20.5 -23.0 55 77 A S >> + 0 0 0 -2,-1.0 4,-2.0 1,-0.2 3,-0.5 0.097 22.8 120.6-100.4 21.1 64.4 23.7 -21.1 56 78 A C H 3> S+ 0 0 0 -45,-2.0 4,-3.0 1,-0.3 5,-0.3 0.869 74.5 54.3 -58.3 -40.7 60.6 23.8 -21.0 57 79 A T H 3> S+ 0 0 0 -3,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.909 111.2 46.2 -59.8 -40.2 60.5 23.8 -17.2 58 80 A A H <> S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.805 112.6 51.0 -71.2 -31.4 62.8 26.9 -17.1 59 81 A N H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.927 112.3 44.8 -69.0 -43.3 60.8 28.6 -19.8 60 82 A A H X S+ 0 0 6 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.924 117.9 44.5 -63.9 -46.1 57.5 28.1 -18.0 61 83 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.860 107.6 57.5 -72.3 -35.2 59.0 29.2 -14.7 62 84 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.920 109.9 47.5 -54.6 -43.9 60.9 32.2 -16.2 63 85 A A H X S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.862 107.5 53.2 -68.9 -40.4 57.4 33.4 -17.3 64 86 A A H X S+ 0 0 9 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.935 113.3 45.8 -58.4 -44.1 55.8 32.8 -13.9 65 87 A I H X S+ 0 0 5 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.913 114.3 47.5 -62.6 -46.2 58.6 35.0 -12.4 66 88 A Q H X S+ 0 0 7 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.914 113.5 48.4 -64.3 -41.3 58.2 37.7 -15.2 67 89 A F H X S+ 0 0 21 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.877 109.9 50.8 -63.2 -47.0 54.5 37.7 -14.7 68 90 A E H X S+ 0 0 14 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.843 104.8 57.7 -63.4 -32.0 54.7 38.0 -10.9 69 91 A R H <>S+ 0 0 25 -4,-1.9 5,-3.6 2,-0.2 -1,-0.2 0.905 107.1 48.8 -70.1 -36.3 57.1 41.0 -11.1 70 92 A I H ><5S+ 0 0 68 -4,-1.5 3,-2.8 3,-0.2 -2,-0.2 0.995 115.1 42.8 -58.2 -62.0 54.5 42.8 -13.2 71 93 A H H 3<5S+ 0 0 112 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.801 112.3 53.2 -56.5 -33.7 51.7 42.1 -10.7 72 94 A D T 3<5S- 0 0 49 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.363 114.8-121.3 -81.7 6.3 54.0 42.8 -7.7 73 95 A K T < 5 + 0 0 194 -3,-2.8 2,-0.3 1,-0.2 -3,-0.2 0.873 56.8 160.6 56.5 40.0 54.7 46.2 -9.5 74 96 A Q < - 0 0 110 -5,-3.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.741 27.9-113.5 -94.9 139.3 58.5 45.4 -9.6 75 97 A S S S+ 0 0 104 -2,-0.3 2,-0.1 2,-0.1 3,-0.0 -0.957 74.6 31.9-137.5 157.2 60.8 47.1 -12.0 76 98 A P S S- 0 0 86 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.592 75.3-131.7 -74.1 165.7 62.6 47.0 -14.3 77 99 A E + 0 0 104 -2,-0.1 2,-0.3 -8,-0.0 -2,-0.1 -0.672 37.8 163.8 -75.6 129.3 61.0 44.4 -16.4 78 100 A F - 0 0 27 -2,-0.4 3,-0.0 -12,-0.1 0, 0.0 -0.985 44.2-110.0-140.1 157.7 63.5 41.8 -17.6 79 101 A I - 0 0 69 -2,-0.3 40,-3.2 1,-0.0 41,-0.3 -0.768 44.8-120.9 -79.1 124.6 63.2 38.2 -19.0 80 102 A P B -L 118 0D 0 0, 0.0 2,-0.8 0, 0.0 -18,-0.1 -0.425 34.6 -93.3 -65.6 143.6 64.6 35.9 -16.3 81 103 A S > - 0 0 0 36,-3.2 4,-1.7 1,-0.2 36,-0.2 -0.489 38.6-171.4 -60.9 104.6 67.7 33.8 -17.3 82 104 A R H > S+ 0 0 18 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.876 85.8 51.2 -67.8 -37.1 66.3 30.5 -18.5 83 105 A L H > S+ 0 0 1 39,-0.4 4,-2.8 1,-0.2 5,-0.3 0.857 104.4 57.8 -73.6 -29.8 69.7 28.9 -18.8 84 106 A F H > S+ 0 0 0 38,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.927 112.0 42.0 -59.7 -45.7 70.5 30.0 -15.2 85 107 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.963 116.4 47.9 -61.5 -50.7 67.4 28.0 -14.1 86 108 A Y H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.844 110.3 51.3 -64.1 -38.0 68.1 25.0 -16.4 87 109 A Y H X S+ 0 0 18 -4,-2.8 4,-0.6 1,-0.2 3,-0.3 0.976 113.8 44.2 -65.3 -47.7 71.8 24.7 -15.4 88 110 A N H >X S+ 0 0 5 -4,-1.9 3,-1.0 -5,-0.3 4,-0.7 0.854 106.9 58.5 -69.6 -31.8 71.0 24.7 -11.7 89 111 A E H >X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-1.3 0.924 103.7 53.8 -58.2 -38.9 68.1 22.3 -12.1 90 112 A R H 3< S+ 0 0 0 -4,-1.6 6,-0.3 -3,-0.3 -1,-0.2 0.550 97.1 65.7 -81.1 -6.5 70.6 19.7 -13.6 91 113 A K H << S+ 0 0 75 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.692 110.7 38.2 -73.5 -26.3 72.8 20.1 -10.5 92 114 A I H << S+ 0 0 9 -3,-1.3 182,-2.8 -4,-0.7 2,-0.3 0.901 136.5 0.9 -88.0 -50.1 69.9 18.6 -8.6 93 115 A E S < S+ 0 0 6 -4,-2.0 -1,-0.4 180,-0.2 2,-0.3 -0.995 120.4 14.1-145.4 136.1 68.7 15.9 -11.0 94 116 A G S S- 0 0 7 -2,-0.3 2,-0.3 -3,-0.1 273,-0.1 -0.740 92.9 -82.2 92.6-151.3 70.1 15.1 -14.5 95 117 A H > - 0 0 8 3,-0.3 3,-1.8 -2,-0.3 5,-0.5 -0.974 17.5-128.4-157.3 139.9 73.5 16.5 -15.4 96 118 A V T 3 S+ 0 0 14 -2,-0.3 -5,-0.1 -6,-0.3 -1,-0.1 0.743 107.8 58.4 -67.8 -19.7 74.7 19.9 -16.7 97 119 A N T 3 S+ 0 0 45 -7,-0.1 39,-2.3 38,-0.1 2,-0.3 0.521 105.1 55.5 -86.6 -0.6 76.6 18.2 -19.6 98 120 A Y S < S- 0 0 3 -3,-1.8 2,-1.8 37,-0.2 -3,-0.3 -0.906 86.2-116.0-130.5 155.7 73.5 16.5 -21.1 99 121 A D + 0 0 14 35,-0.4 263,-0.1 -2,-0.3 -3,-0.1 -0.533 56.5 150.7 -91.2 76.8 70.1 17.8 -22.2 100 122 A S - 0 0 5 -2,-1.8 -1,-0.2 -5,-0.5 262,-0.1 0.625 43.4-137.4 -85.8 -14.9 68.3 15.8 -19.5 101 123 A G - 0 0 0 -3,-0.2 2,-0.3 -90,-0.1 -1,-0.2 -0.408 24.0-119.4 74.3-169.3 65.2 18.0 -19.0 102 124 A A E -a 13 0A 0 -90,-2.7 -88,-2.1 -48,-0.1 2,-0.4 -0.984 10.4-100.1-164.0 159.5 64.2 18.7 -15.4 103 125 A M E >> -a 14 0A 2 -2,-0.3 4,-1.7 -90,-0.2 3,-0.9 -0.726 30.6-130.0 -87.1 138.2 61.4 18.3 -12.8 104 126 A I H 3> S+ 0 0 1 -90,-0.5 4,-2.8 -2,-0.4 5,-0.2 0.918 108.8 60.7 -48.7 -42.4 59.3 21.4 -12.1 105 127 A R H 3> S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.806 103.7 49.5 -62.9 -28.1 59.9 21.0 -8.5 106 128 A D H <> S+ 0 0 3 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.893 107.9 51.9 -80.8 -34.9 63.6 21.3 -9.0 107 129 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.906 111.8 49.8 -60.4 -42.3 63.3 24.5 -11.1 108 130 A I H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.918 106.7 53.4 -64.3 -41.1 61.2 25.8 -8.2 109 131 A K H X S+ 0 0 75 -4,-2.1 4,-2.8 -5,-0.2 5,-0.4 0.907 107.5 51.8 -56.2 -45.6 63.9 24.8 -5.7 110 132 A V H X>S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-1.9 0.960 110.9 48.2 -54.9 -50.9 66.4 26.9 -7.8 111 133 A L H <5S+ 0 0 0 -4,-2.3 48,-2.0 3,-0.2 -1,-0.2 0.802 115.1 45.4 -58.9 -34.8 64.0 29.9 -7.6 112 134 A H H <5S+ 0 0 52 -4,-2.0 -2,-0.2 46,-0.2 -1,-0.2 0.895 126.5 25.5 -75.4 -47.0 63.6 29.5 -3.8 113 135 A K H <5S+ 0 0 83 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.786 139.5 17.8 -91.8 -32.1 67.2 28.9 -2.8 114 136 A L T <5S- 0 0 9 -4,-2.8 2,-0.2 -5,-0.4 43,-0.2 0.635 86.0-153.1-111.7 -29.3 69.2 30.7 -5.6 115 137 A G < - 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0 0 8 -39,-2.3 -7,-0.2 -2,-0.3 3,-0.1 -0.351 46.1-118.6 -57.9 136.2 76.3 19.0 -25.2 137 159 A P > - 0 0 39 0, 0.0 3,-2.2 0, 0.0 6,-0.2 -0.297 43.8 -75.1 -72.9 161.2 79.3 19.9 -27.4 138 160 A P T 3 S+ 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.314 121.2 21.6 -57.2 140.6 82.1 22.0 -25.9 139 161 A G T 3 S+ 0 0 63 1,-0.3 -12,-0.1 -3,-0.1 5,-0.1 0.367 80.4 152.5 81.7 -3.6 81.0 25.6 -25.6 140 162 A A X> - 0 0 1 -3,-2.2 3,-1.2 1,-0.2 4,-0.7 -0.413 47.7-136.0 -63.3 129.2 77.3 25.0 -25.6 141 163 A P G >4 S+ 0 0 38 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.880 100.7 62.1 -52.6 -37.0 75.7 27.8 -23.6 142 164 A A G 34 S+ 0 0 1 -15,-0.3 -44,-0.1 -17,-0.3 -2,-0.1 0.737 105.1 45.3 -63.5 -26.0 73.4 25.2 -21.8 143 165 A S G <4 S+ 0 0 23 -3,-1.2 2,-0.3 -6,-0.2 -1,-0.3 0.518 88.9 107.7 -97.7 -2.1 76.4 23.4 -20.2 144 166 A K S << S- 0 0 107 -3,-1.2 -57,-0.1 -4,-0.7 3,-0.0 -0.545 72.5-122.5 -77.5 134.5 78.3 26.5 -19.1 145 167 A K - 0 0 129 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.605 32.6-114.8 -74.2 126.0 78.4 27.4 -15.4 146 168 A P - 0 0 1 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.282 39.9 -96.4 -61.2 147.5 76.9 30.9 -14.7 147 169 A S > - 0 0 52 1,-0.1 4,-2.1 3,-0.1 5,-0.2 -0.070 27.3-109.2 -63.4 159.0 79.4 33.4 -13.4 148 170 A D H > S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.891 121.9 56.7 -55.3 -35.1 79.8 34.2 -9.8 149 171 A Q H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.889 103.7 54.1 -66.3 -38.6 78.2 37.6 -10.5 150 172 A C H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.931 108.4 48.4 -58.9 -49.1 75.1 35.8 -11.9 151 173 A Y H X S+ 0 0 51 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.885 112.4 48.5 -58.8 -42.4 74.7 33.8 -8.7 152 174 A K H >< S+ 0 0 136 -4,-2.1 3,-0.7 -5,-0.2 4,-0.3 0.960 114.7 44.1 -64.6 -49.2 75.1 36.9 -6.6 153 175 A D H >< S+ 0 0 40 -4,-2.8 3,-2.2 1,-0.2 4,-0.3 0.899 105.0 63.9 -62.0 -37.7 72.5 39.0 -8.6 154 176 A A H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 -38,-1.3 0.827 88.5 70.5 -58.2 -31.1 70.1 36.0 -8.8 155 177 A Q G X< S+ 0 0 79 -4,-1.0 3,-0.8 -3,-0.7 -1,-0.3 0.688 86.8 66.3 -57.3 -21.7 69.7 36.2 -5.0 156 178 A N G < S+ 0 0 119 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.592 102.9 46.7 -76.0 -8.9 67.8 39.5 -5.4 157 179 A Y G < S+ 0 0 62 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.132 76.7 142.6-123.3 19.1 65.0 37.6 -7.2 158 180 A K < - 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