==== 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 LYASE 29-MAY-07 2Q34 . COMPND 2 MOLECULE: CURF; . SOURCE 2 ORGANISM_SCIENTIFIC: LYNGBYA MAJUSCULA; . AUTHOR T.W.GEDERS,J.C.MOWERS,J.L.SMITH . 243 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 5.3 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 . 1 0.4 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 . 14 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 1 2 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 3 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 . 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 15 A N 0 0 203 0, 0.0 4,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 161.2 3.7 -42.4 -24.1 2 16 A A - 0 0 63 1,-0.1 28,-0.0 2,-0.1 0, 0.0 -0.313 360.0-129.3 -61.2 145.3 4.0 -39.5 -26.6 3 17 A V S S+ 0 0 35 1,-0.1 16,-3.4 27,-0.1 2,-0.5 0.600 98.2 55.0 -75.8 -11.7 5.8 -36.4 -25.2 4 18 A V E S-A 18 0A 4 14,-0.2 2,-0.4 26,-0.1 14,-0.2 -0.991 75.1-176.1-124.4 123.5 2.9 -34.2 -26.5 5 19 A Q E -A 17 0A 80 12,-2.2 12,-2.7 -2,-0.5 2,-0.5 -0.951 17.3-148.3-124.8 139.9 -0.6 -35.2 -25.2 6 20 A L E +A 16 0A 37 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.881 20.2 178.1-107.2 130.7 -4.1 -33.9 -26.0 7 21 A T E -A 15 0A 68 8,-2.7 8,-2.9 -2,-0.5 2,-0.4 -0.962 26.5-122.4-129.6 153.5 -6.8 -34.1 -23.3 8 22 A E E -A 14 0A 127 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.786 19.4-177.1 -96.6 134.6 -10.4 -32.9 -23.3 9 23 A L E - 0 0 57 4,-3.1 5,-0.2 -2,-0.4 -1,-0.1 0.464 51.2 -95.9-105.5 -5.1 -11.5 -30.4 -20.6 10 24 A G E > S+A 13 0A 34 3,-0.7 3,-1.8 180,-0.0 -1,-0.2 0.029 97.8 47.9 101.8 146.8 -15.2 -30.2 -21.5 11 25 A N T 3 S- 0 0 126 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 0.666 132.3 -56.6 62.1 23.0 -17.4 -27.9 -23.6 12 26 A G T 3 S+ 0 0 16 1,-0.3 37,-3.3 36,-0.1 38,-1.8 0.465 103.4 130.8 88.2 3.3 -15.0 -28.0 -26.5 13 27 A V E < -Ab 10 50A 1 -3,-1.8 -4,-3.1 36,-0.2 -3,-0.7 -0.775 34.2-177.6 -86.8 126.8 -11.9 -26.8 -24.5 14 28 A V E -Ab 8 51A 1 36,-2.9 38,-2.5 -2,-0.5 2,-0.5 -0.903 17.2-141.8-124.8 156.9 -8.9 -29.1 -25.1 15 29 A Q E -Ab 7 52A 21 -8,-2.9 -8,-2.7 -2,-0.3 2,-0.6 -0.983 4.8-162.5-121.3 129.0 -5.4 -29.0 -23.6 16 30 A I E -Ab 6 53A 0 36,-3.0 38,-2.6 -2,-0.5 2,-0.5 -0.960 17.4-165.3-107.0 116.7 -2.2 -29.9 -25.5 17 31 A T E -Ab 5 54A 30 -12,-2.7 -12,-2.2 -2,-0.6 2,-0.5 -0.933 9.9-152.3-112.7 123.9 0.6 -30.6 -23.0 18 32 A X E +A 4 0A 0 36,-2.7 -14,-0.2 -2,-0.5 -15,-0.1 -0.803 22.2 165.6 -91.9 123.1 4.3 -30.7 -23.9 19 33 A K + 0 0 112 -16,-3.4 2,-0.9 -2,-0.5 3,-0.2 -0.482 15.2 143.2-141.7 67.1 6.3 -32.9 -21.7 20 34 A D >>> + 0 0 9 1,-0.2 5,-2.6 36,-0.1 3,-1.0 -0.774 18.4 174.6-103.4 84.0 9.8 -33.6 -23.2 21 35 A E G >45S+ 0 0 115 -2,-0.9 3,-0.8 1,-0.2 -1,-0.2 0.889 71.5 64.9 -58.8 -39.3 11.7 -33.6 -20.0 22 36 A S G 345S+ 0 0 97 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.0 0.793 118.0 25.2 -55.8 -32.6 14.9 -34.7 -21.8 23 37 A S G <45S- 0 0 19 -3,-1.0 -1,-0.3 3,-0.1 -2,-0.2 0.346 108.8-117.2-111.3 -1.6 15.1 -31.4 -23.8 24 38 A R T <<5S- 0 0 114 -4,-0.9 38,-0.7 -3,-0.8 -3,-0.2 0.940 78.8 -50.4 58.9 49.0 13.1 -29.4 -21.2 25 39 A N S - 0 0 19 -2,-2.2 4,-2.8 1,-0.1 5,-0.3 -0.445 58.6-107.3 -81.1 156.8 13.2 -31.6 -30.3 29 43 A P H > S+ 0 0 114 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.906 123.0 53.6 -50.0 -40.7 12.1 -33.9 -33.1 30 44 A S H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.893 110.3 45.2 -61.9 -41.5 9.7 -35.5 -30.5 31 45 A I H > S+ 0 0 0 2,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.928 114.4 48.0 -69.1 -44.5 8.2 -32.1 -29.6 32 46 A V H X S+ 0 0 39 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.950 116.4 42.4 -62.1 -49.3 7.8 -31.0 -33.2 33 47 A E H X S+ 0 0 104 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.891 114.6 52.2 -65.6 -37.3 6.2 -34.2 -34.3 34 48 A G H X S+ 0 0 10 -4,-2.1 4,-2.8 -5,-0.3 -2,-0.2 0.911 110.7 47.0 -66.0 -41.6 4.0 -34.3 -31.2 35 49 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.939 112.5 49.7 -64.1 -45.9 2.7 -30.7 -31.7 36 50 A R H X S+ 0 0 99 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.938 113.9 46.2 -58.1 -47.7 2.0 -31.5 -35.4 37 51 A H H X S+ 0 0 99 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.944 113.4 47.5 -62.3 -48.6 0.1 -34.6 -34.5 38 52 A C H X S+ 0 0 3 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.894 112.7 49.2 -64.0 -39.1 -1.9 -33.0 -31.6 39 53 A F H X S+ 0 0 14 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.858 109.3 52.4 -68.4 -32.9 -2.8 -30.0 -33.8 40 54 A S H X S+ 0 0 41 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.911 108.2 50.8 -64.6 -44.1 -3.9 -32.4 -36.6 41 55 A V H X S+ 0 0 33 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.909 111.3 49.8 -57.3 -41.3 -6.2 -34.2 -34.1 42 56 A V H >< S+ 0 0 2 -4,-2.0 3,-1.0 1,-0.2 6,-0.3 0.944 107.2 52.9 -60.2 -49.8 -7.6 -30.9 -33.1 43 57 A A H 3< S+ 0 0 59 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.7 49.5 -56.8 -33.5 -8.3 -29.8 -36.8 44 58 A Q H 3< S+ 0 0 138 -4,-1.7 2,-1.0 1,-0.1 -1,-0.3 0.673 94.9 75.6 -80.4 -21.1 -10.2 -33.0 -37.3 45 59 A N X< - 0 0 44 -3,-1.0 3,-2.1 -4,-0.9 -1,-0.1 -0.782 59.3-172.5-100.7 94.8 -12.4 -32.8 -34.3 46 60 A Q T 3 S+ 0 0 113 -2,-1.0 -1,-0.1 1,-0.3 151,-0.1 0.560 78.7 70.3 -67.3 -8.4 -15.1 -30.2 -35.1 47 61 A Q T 3 S+ 0 0 104 -5,-0.0 -1,-0.3 -3,-0.0 2,-0.3 0.666 79.1 95.6 -80.2 -15.6 -16.5 -30.3 -31.6 48 62 A Y < + 0 0 13 -3,-2.1 -35,-0.2 -6,-0.3 3,-0.1 -0.586 41.2 167.0 -81.7 140.2 -13.3 -28.6 -30.3 49 63 A K + 0 0 45 -37,-3.3 2,-0.3 1,-0.3 -36,-0.2 0.543 61.1 28.5-126.2 -26.2 -13.5 -24.8 -29.9 50 64 A V E -b 13 0A 0 -38,-1.8 -36,-2.9 41,-0.1 2,-0.4 -0.975 59.5-154.4-146.5 135.7 -10.4 -23.7 -27.8 51 65 A V E -bc 14 93A 0 41,-2.6 43,-2.8 -2,-0.3 2,-0.6 -0.919 2.9-160.0-109.0 133.0 -6.9 -25.1 -27.4 52 66 A I E -bc 15 94A 0 -38,-2.5 -36,-3.0 -2,-0.4 2,-0.5 -0.970 11.2-160.8-109.1 120.1 -4.8 -24.5 -24.2 53 67 A L E +bc 16 95A 1 41,-2.8 43,-2.5 -2,-0.6 2,-0.3 -0.872 23.6 155.9-102.3 125.7 -1.2 -25.1 -25.0 54 68 A T E -bc 17 96A 3 -38,-2.6 -36,-2.7 -2,-0.5 43,-0.1 -0.916 29.9-135.9-145.8 170.5 1.0 -25.7 -21.9 55 69 A G - 0 0 6 41,-0.6 2,-0.3 -2,-0.3 5,-0.2 -0.052 28.0-100.1-106.4-150.3 4.2 -27.3 -20.7 56 70 A Y B > S-G 59 0C 40 3,-1.6 3,-2.1 -39,-0.1 -36,-0.1 -0.989 70.3 -26.4-137.5 148.0 5.2 -29.5 -17.7 57 71 A G T 3 S- 0 0 49 -2,-0.3 -2,-0.1 1,-0.3 -38,-0.0 -0.252 126.3 -12.4 57.6-125.9 7.0 -28.6 -14.5 58 72 A N T 3 S+ 0 0 83 41,-0.1 42,-2.9 1,-0.0 2,-0.4 0.371 121.4 76.2 -90.9 0.5 9.2 -25.6 -14.7 59 73 A Y E < +Gh 56 100C 60 -3,-2.1 -3,-1.6 40,-0.4 42,-0.1 -0.962 35.0 170.4-126.3 126.7 9.2 -25.3 -18.5 60 74 A F E S- 0 0 0 40,-2.3 2,-0.3 -2,-0.4 41,-0.2 0.886 85.2 -30.8 -81.5 -64.1 6.8 -24.0 -21.2 61 75 A S E - h 0 101C 0 39,-1.6 41,-2.2 38,-0.1 -35,-0.2 -0.911 41.9-165.0-158.2 128.4 9.4 -24.2 -24.0 62 76 A S - 0 0 25 -37,-0.9 -36,-0.2 -38,-0.7 42,-0.2 0.396 39.0-151.3 -95.3 5.9 13.1 -23.7 -24.1 63 77 A G B +f 26 0B 0 -38,-0.7 -36,-2.8 40,-0.1 -1,-0.3 -0.246 54.7 11.6 68.5-146.8 13.2 -23.4 -27.9 64 78 A A S S- 0 0 41 -38,-0.2 2,-0.1 38,-0.1 41,-0.1 -0.437 82.6-116.5 -72.3 138.6 16.2 -24.4 -30.0 65 79 A S > - 0 0 55 -38,-0.2 4,-1.9 -2,-0.1 3,-0.2 -0.414 11.4-126.4 -74.5 149.5 18.9 -26.4 -28.2 66 80 A K H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.859 113.9 58.3 -60.3 -33.8 22.4 -25.0 -27.8 67 81 A E H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 105.6 50.5 -62.1 -40.0 23.6 -28.3 -29.4 68 82 A Y H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.902 108.2 51.5 -61.3 -44.7 21.5 -27.3 -32.5 69 83 A L H X S+ 0 0 16 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.904 108.1 51.6 -60.9 -43.3 23.0 -23.8 -32.6 70 84 A I H X S+ 0 0 37 -4,-2.3 4,-0.8 2,-0.2 3,-0.4 0.914 109.0 51.0 -57.4 -43.7 26.6 -25.2 -32.5 71 85 A R H ><>S+ 0 0 108 -4,-1.9 5,-1.6 1,-0.2 3,-0.9 0.906 106.5 55.8 -60.2 -43.5 25.7 -27.5 -35.4 72 86 A K H ><5S+ 0 0 12 -4,-2.3 3,-2.4 1,-0.2 -1,-0.2 0.820 95.9 64.5 -54.6 -38.0 24.3 -24.5 -37.3 73 87 A T H 3<5S+ 0 0 39 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.805 101.6 50.6 -63.0 -28.2 27.7 -22.6 -36.9 74 88 A R T <<5S- 0 0 151 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.162 121.4-114.1 -91.7 16.3 29.2 -25.4 -39.1 75 89 A G T < 5S+ 0 0 61 -3,-2.4 -3,-0.2 1,-0.1 -2,-0.1 0.785 74.5 136.6 61.3 34.7 26.4 -24.7 -41.6 76 90 A E < + 0 0 98 -5,-1.6 2,-0.2 2,-0.0 -4,-0.2 0.542 59.0 23.6 -94.7 -10.5 25.0 -28.2 -40.9 77 91 A V - 0 0 48 -5,-0.1 2,-0.2 -6,-0.1 -9,-0.0 -0.768 68.4-116.1-140.2-179.6 21.2 -27.4 -40.7 78 92 A E - 0 0 173 -2,-0.2 2,-0.6 0, 0.0 -6,-0.1 -0.695 44.7 -82.8-115.6 177.1 18.4 -25.0 -41.6 79 93 A V - 0 0 39 -2,-0.2 2,-0.1 -7,-0.0 144,-0.0 -0.733 37.7-135.0 -90.8 116.6 16.2 -22.9 -39.4 80 94 A L - 0 0 82 -2,-0.6 2,-0.3 -53,-0.1 -16,-0.1 -0.395 20.1-169.9 -62.3 140.8 13.1 -24.5 -37.8 81 95 A D + 0 0 75 -2,-0.1 3,-0.3 1,-0.1 4,-0.3 -0.870 17.3 172.1-142.1 104.0 9.9 -22.5 -38.1 82 96 A L > + 0 0 11 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.270 57.9 97.5 -90.6 5.6 6.8 -23.6 -36.1 83 97 A S H > S+ 0 0 6 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.944 80.0 52.9 -63.8 -44.8 4.8 -20.5 -36.9 84 98 A G H > S+ 0 0 32 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.905 107.9 53.5 -56.4 -45.0 2.9 -22.2 -39.8 85 99 A L H 4 S+ 0 0 46 -4,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.912 117.3 33.9 -54.8 -52.9 1.9 -25.0 -37.5 86 100 A I H >< S+ 0 0 3 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.900 117.9 52.7 -73.7 -42.3 0.4 -22.7 -34.8 87 101 A L H 3< S+ 0 0 66 -4,-3.7 -2,-0.2 1,-0.3 -1,-0.2 0.731 100.7 62.2 -71.1 -19.9 -0.9 -20.1 -37.2 88 102 A D T 3< S+ 0 0 128 -4,-1.8 -1,-0.3 -5,-0.3 2,-0.2 0.707 75.9 106.8 -75.4 -21.7 -2.8 -22.6 -39.2 89 103 A C < - 0 0 16 -3,-1.2 4,-0.1 -4,-0.4 -49,-0.0 -0.446 59.4-157.2 -61.1 123.8 -5.0 -23.6 -36.2 90 104 A E + 0 0 91 -2,-0.2 115,-0.2 2,-0.1 114,-0.2 0.642 68.5 67.7 -85.3 -12.7 -8.5 -22.2 -37.0 91 105 A I S S- 0 0 1 1,-0.1 -41,-0.1 113,-0.1 -42,-0.1 -0.730 98.5 -82.4-102.6 156.7 -9.7 -22.1 -33.4 92 106 A P - 0 0 10 0, 0.0 -41,-2.6 0, 0.0 2,-0.4 -0.257 41.3-155.6 -59.1 138.6 -8.4 -19.8 -30.6 93 107 A I E -c 51 0A 0 -43,-0.2 21,-2.0 -4,-0.1 20,-1.2 -0.959 6.0-161.2-117.5 134.3 -5.3 -20.9 -28.7 94 108 A I E -cd 52 114A 0 -43,-2.8 -41,-2.8 -2,-0.4 2,-0.9 -0.980 12.4-147.5-112.6 121.5 -4.3 -19.9 -25.1 95 109 A A E -cd 53 115A 0 19,-2.9 21,-2.7 -2,-0.5 2,-1.2 -0.842 7.7-163.1 -92.4 108.6 -0.7 -20.3 -24.2 96 110 A A E -cd 54 116A 0 -43,-2.5 2,-1.8 -2,-0.9 -41,-0.6 -0.763 6.1-169.1 -91.6 90.1 -0.5 -21.2 -20.5 97 111 A X E + d 0 117A 0 19,-2.3 21,-0.7 -2,-1.2 24,-0.1 -0.542 20.4 160.9 -86.5 76.9 3.1 -20.5 -20.0 98 112 A Q + 0 0 19 -2,-1.8 2,-0.2 19,-0.1 -1,-0.2 0.601 65.0 29.5 -74.1 -13.0 3.4 -22.0 -16.5 99 113 A G S S- 0 0 0 1,-0.2 -40,-0.4 -3,-0.2 19,-0.3 -0.621 105.4 -45.6-134.5-168.3 7.2 -22.3 -16.8 100 114 A H E -h 59 0C 39 -42,-2.9 -40,-2.3 -2,-0.2 -39,-1.6 -0.240 44.2-162.8 -67.0 149.3 10.2 -20.7 -18.5 101 115 A S E -hi 61 123C 0 21,-1.9 23,-1.9 -41,-0.2 2,-0.4 -0.966 8.4-175.5-135.7 124.9 10.1 -19.7 -22.2 102 116 A F E > - i 0 124C 37 -41,-2.2 3,-2.8 -2,-0.4 23,-0.2 -0.959 47.5 -44.2-123.9 134.6 13.3 -19.0 -24.2 103 117 A G T >> S+ 0 0 4 21,-2.3 4,-2.0 -2,-0.4 3,-1.2 -0.250 133.6 8.6 60.1-125.6 13.8 -17.8 -27.8 104 118 A G H 3> S+ 0 0 21 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.749 128.3 66.4 -56.2 -24.0 11.6 -19.6 -30.2 105 119 A G H <> S+ 0 0 0 -3,-2.8 4,-1.2 2,-0.2 -1,-0.3 0.849 101.8 44.4 -68.5 -35.9 9.9 -21.0 -27.1 106 120 A L H <> S+ 0 0 1 -3,-1.2 4,-2.4 18,-0.4 -2,-0.2 0.904 114.0 50.9 -72.6 -40.2 8.7 -17.5 -26.1 107 121 A L H X S+ 0 0 2 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.902 103.0 60.0 -61.6 -40.2 7.6 -16.9 -29.7 108 122 A L H < S+ 0 0 1 -4,-2.6 4,-0.3 1,-0.2 3,-0.3 0.906 110.6 41.4 -52.6 -46.2 5.7 -20.2 -29.7 109 123 A G H >< S+ 0 0 0 -4,-1.2 3,-1.4 1,-0.2 -1,-0.2 0.887 111.9 54.6 -68.6 -41.6 3.6 -18.9 -26.9 110 124 A L H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.669 94.0 69.3 -73.2 -13.4 3.2 -15.4 -28.3 111 125 A Y T 3< S+ 0 0 19 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.718 86.3 94.4 -68.6 -22.2 1.9 -16.8 -31.6 112 126 A A S < S- 0 0 1 -3,-1.4 -18,-0.1 -4,-0.3 3,-0.1 -0.166 86.6-119.6 -68.9 164.2 -1.2 -17.8 -29.6 113 127 A D S S+ 0 0 47 -20,-1.2 2,-0.3 1,-0.2 -19,-0.2 0.858 98.5 21.2 -74.6 -35.1 -4.4 -15.7 -29.4 114 128 A F E S-d 94 0A 83 -21,-2.0 -19,-2.9 -5,-0.1 2,-0.4 -0.953 71.4-162.5-133.0 151.4 -4.1 -15.3 -25.6 115 129 A V E -d 95 0A 3 -2,-0.3 2,-0.4 -21,-0.2 -19,-0.2 -0.994 5.6-165.2-138.9 138.4 -1.1 -15.8 -23.3 116 130 A V E -d 96 0A 1 -21,-2.7 -19,-2.3 -2,-0.4 2,-0.3 -0.998 14.5-157.3-124.0 128.6 -0.8 -16.3 -19.5 117 131 A F E -de 97 175A 2 57,-2.8 59,-2.6 -2,-0.4 2,-0.4 -0.739 14.5-124.5-105.1 155.1 2.6 -15.8 -17.8 118 132 A S E - 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0 0 108 -6,-0.3 2,-0.5 -5,-0.1 -34,-0.4 -0.168 50.0-105.3 -74.9 161.1 18.2 -10.9 -21.1 160 174 A N - 0 0 71 -36,-0.1 2,-0.5 -3,-0.1 -36,-0.2 -0.743 34.7-167.8 -84.0 123.1 16.0 -13.1 -18.8 161 175 A Y E -J 123 0C 14 -38,-3.0 -38,-2.4 -2,-0.5 2,-0.1 -0.952 16.9-133.2-112.8 129.8 13.0 -11.4 -17.3 162 176 A R E > -J 122 0C 101 -2,-0.5 4,-1.8 -40,-0.2 3,-0.3 -0.450 27.0-116.3 -68.1 150.3 10.9 -12.9 -14.5 163 177 A G H > S+ 0 0 0 -42,-2.1 4,-2.5 -45,-0.6 -44,-0.2 0.904 117.5 57.2 -51.4 -40.2 7.1 -12.8 -15.1 164 178 A K H > S+ 0 0 108 -45,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.875 105.1 50.2 -62.4 -37.5 6.9 -10.5 -12.1 165 179 A E H > S+ 0 0 69 -3,-0.3 4,-1.4 -46,-0.3 -1,-0.2 0.884 110.0 50.4 -66.8 -39.3 9.3 -8.0 -13.7 166 180 A L H <>S+ 0 0 2 -4,-1.8 5,-1.9 2,-0.2 4,-0.4 0.904 109.4 51.1 -64.9 -41.9 7.3 -8.0 -16.9 167 181 A A H ><5S+ 0 0 47 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.910 108.3 51.3 -61.1 -42.0 4.1 -7.3 -14.9 168 182 A E H 3<5S+ 0 0 146 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.813 107.0 56.2 -65.4 -27.5 5.8 -4.4 -13.2 169 183 A R T 3<5S- 0 0 130 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.488 122.7-106.4 -80.3 -9.9 6.8 -3.2 -16.7 170 184 A G T < 5 - 0 0 55 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.800 47.2-178.9 85.6 30.4 3.1 -3.1 -17.8 171 185 A I < - 0 0 15 -5,-1.9 -1,-0.2 1,-0.1 -25,-0.1 -0.359 32.3-127.3 -54.9 137.0 3.0 -6.2 -20.1 172 186 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.339 81.2 82.4 -75.4 9.5 -0.6 -6.4 -21.5 173 187 A F S S- 0 0 37 -27,-0.1 2,-0.2 -59,-0.1 -57,-0.1 -0.769 89.2 -91.7-113.4 156.9 -1.1 -10.1 -20.4 174 188 A P - 0 0 37 0, 0.0 -57,-2.8 0, 0.0 2,-0.5 -0.454 34.2-166.9 -64.0 134.4 -2.1 -11.8 -17.1 175 189 A V E +e 117 0A 23 -59,-0.2 2,-0.3 -2,-0.2 -57,-0.2 -0.979 20.7 161.0-122.9 115.5 0.9 -12.7 -14.9 176 190 A V E -e 118 0A 27 -59,-2.6 -57,-2.3 -2,-0.5 -56,-0.3 -0.818 45.9 -68.0-130.8 169.0 -0.1 -15.1 -12.1 177 191 A S >> - 0 0 25 -2,-0.3 3,-1.9 -59,-0.2 4,-1.0 -0.208 50.1-112.9 -54.8 149.0 1.5 -17.5 -9.7 178 192 A R H >> S+ 0 0 66 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.895 117.6 53.2 -53.4 -44.1 2.9 -20.6 -11.3 179 193 A Q H 34 S+ 0 0 153 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.618 112.1 46.6 -69.6 -13.2 0.3 -22.9 -9.6 180 194 A D H <> S+ 0 0 70 -3,-1.9 4,-2.6 2,-0.1 -1,-0.2 0.540 87.8 87.7-101.3 -12.1 -2.5 -20.6 -11.0 181 195 A V H S+ 0 0 82 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.884 109.4 50.8 -58.2 -42.9 -6.3 -22.8 -14.0 184 198 A Y H X S+ 0 0 104 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.951 111.2 47.8 -60.4 -48.9 -6.4 -19.2 -15.2 185 199 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.895 111.1 52.2 -57.8 -41.5 -6.1 -20.4 -18.9 186 200 A Q H X S+ 0 0 46 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.919 109.0 48.4 -65.2 -43.0 -8.7 -23.0 -18.4 187 201 A Q H X S+ 0 0 133 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.893 112.9 48.1 -64.3 -41.1 -11.3 -20.6 -17.0 188 202 A L H X S+ 0 0 39 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.905 109.7 53.4 -63.0 -41.9 -10.7 -18.2 -19.8 189 203 A G H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.920 106.8 52.2 -60.7 -44.0 -11.0 -21.1 -22.3 190 204 A Q H < S+ 0 0 53 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.888 108.4 50.9 -61.1 -39.0 -14.4 -22.0 -20.8 191 205 A K H >< S+ 0 0 145 -4,-1.7 3,-1.1 1,-0.2 4,-0.2 0.934 113.1 45.2 -61.2 -47.1 -15.6 -18.4 -21.2 192 206 A I H >< S+ 0 0 28 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.917 104.0 63.6 -63.9 -40.3 -14.5 -18.3 -24.9 193 207 A A T 3< S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.517 81.0 82.5 -66.2 -5.4 -16.1 -21.7 -25.6 194 208 A K T < S+ 0 0 180 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.1 0.746 79.8 81.6 -67.9 -24.7 -19.6 -20.4 -24.8 195 209 A S S < S- 0 0 53 -3,-1.9 2,-0.1 -4,-0.2 5,-0.0 -0.475 96.8 -93.1 -79.1 155.1 -19.7 -19.0 -28.4 196 210 A P > - 0 0 81 0, 0.0 4,-2.1 0, 0.0 3,-0.3 -0.381 32.9-122.8 -63.2 144.8 -20.7 -21.1 -31.4 197 211 A R H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.869 110.3 57.8 -56.4 -40.8 -17.7 -22.6 -33.1 198 212 A L H > S+ 0 0 148 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 108.6 46.5 -58.4 -41.4 -18.6 -21.0 -36.5 199 213 A S H > S+ 0 0 66 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.904 110.8 51.4 -69.2 -42.7 -18.4 -17.6 -34.8 200 214 A L H X S+ 0 0 14 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.915 112.6 46.3 -58.2 -43.9 -15.1 -18.3 -33.0 201 215 A V H X S+ 0 0 28 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.931 114.3 46.9 -67.3 -44.4 -13.5 -19.4 -36.3 202 216 A A H X S+ 0 0 59 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.888 114.2 47.8 -63.9 -42.2 -14.9 -16.4 -38.3 203 217 A L H X S+ 0 0 95 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.929 110.8 50.2 -66.9 -45.6 -13.8 -14.0 -35.6 204 218 A K H X S+ 0 0 25 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.917 110.0 50.7 -61.0 -40.6 -10.3 -15.4 -35.3 205 219 A Q H X S+ 0 0 151 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.928 113.2 46.6 -61.8 -44.1 -9.8 -15.2 -39.1 206 220 A H H >< S+ 0 0 141 -4,-2.0 3,-1.0 1,-0.2 4,-0.4 0.949 114.6 45.0 -60.7 -54.0 -10.9 -11.6 -39.0 207 221 A L H 3< S+ 0 0 120 -4,-2.9 4,-0.3 1,-0.2 3,-0.3 0.800 114.8 48.3 -64.7 -31.4 -8.7 -10.6 -36.1 208 222 A S H 3X S+ 0 0 40 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.484 86.2 92.4 -86.3 -5.9 -5.6 -12.4 -37.3 209 223 A A H S+ 0 0 129 -4,-0.4 4,-1.2 -3,-0.3 -1,-0.2 0.927 116.6 40.2 -60.2 -48.6 -3.5 -8.0 -40.5 211 225 A I H >> S+ 0 0 28 -4,-0.3 4,-1.4 1,-0.2 3,-0.6 0.935 113.2 54.4 -66.9 -46.0 -0.6 -9.8 -38.8 212 226 A K H 3< S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.854 105.1 55.6 -56.7 -36.5 -0.9 -12.9 -41.1 213 227 A A H 3< S+ 0 0 80 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.3 0.873 113.4 40.6 -58.6 -40.9 -0.6 -10.5 -44.1 214 228 A K H S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.932 115.0 43.7 -58.2 -44.8 5.7 -14.1 -44.6 217 231 A E H > S+ 0 0 91 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.889 113.4 52.2 -64.7 -39.1 7.8 -10.9 -45.4 218 232 A A H X S+ 0 0 18 -4,-1.9 4,-2.5 2,-0.2 -81,-0.3 0.945 110.0 47.7 -62.1 -48.7 8.7 -10.5 -41.7 219 233 A I H X S+ 0 0 31 -4,-2.9 4,-2.2 1,-0.2 -83,-0.3 0.921 114.6 47.7 -55.2 -47.2 10.0 -14.1 -41.5 220 234 A K H X S+ 0 0 112 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.922 111.9 48.1 -60.0 -51.6 12.0 -13.6 -44.7 221 235 A K H X S+ 0 0 116 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.911 113.3 47.6 -57.7 -46.9 13.5 -10.3 -43.6 222 236 A E H X S+ 0 0 19 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.883 109.9 53.2 -64.5 -39.0 14.6 -11.7 -40.2 223 237 A L H X S+ 0 0 67 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.919 107.8 50.8 -59.5 -46.4 16.1 -14.8 -41.8 224 238 A E H X S+ 0 0 112 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.895 114.7 42.5 -60.7 -43.1 18.2 -12.8 -44.2 225 239 A I H X S+ 0 0 93 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.895 111.8 55.0 -71.1 -41.6 19.6 -10.6 -41.4 226 240 A H H X S+ 0 0 5 -4,-2.7 4,-2.8 -92,-0.2 5,-0.3 0.909 103.3 56.0 -57.8 -41.8 20.1 -13.6 -39.1 227 241 A Q H X S+ 0 0 82 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.914 111.6 43.5 -59.6 -43.3 22.2 -15.3 -41.7 228 242 A V H < S+ 0 0 92 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.942 118.8 41.4 -65.2 -49.4 24.6 -12.3 -41.9 229 243 A T H < S+ 0 0 36 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.810 113.9 51.7 -75.7 -27.6 24.8 -11.7 -38.1 230 244 A F H < S+ 0 0 3 -4,-2.8 2,-1.5 -5,-0.3 -1,-0.2 0.870 101.7 63.6 -72.1 -38.8 25.0 -15.4 -37.2 231 245 A N S < S+ 0 0 81 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.448 76.3 117.4 -91.7 62.9 27.9 -16.1 -39.6 232 246 A Q S > S- 0 0 93 -2,-1.5 3,-1.5 -3,-0.3 4,-0.4 -0.922 75.4-107.5-123.4 152.4 30.5 -13.8 -38.0 233 247 A P T > S+ 0 0 116 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.802 111.9 47.0 -48.0 -45.7 33.8 -14.9 -36.5 234 248 A E T 3> S+ 0 0 108 1,-0.2 4,-1.6 2,-0.1 5,-0.1 0.516 87.9 86.0 -83.1 -8.2 33.1 -14.5 -32.8 235 249 A I H <> S+ 0 0 5 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.883 83.3 56.1 -63.4 -41.6 29.6 -16.2 -32.7 236 250 A A H <> S+ 0 0 45 -3,-0.5 4,-2.4 -4,-0.4 -1,-0.2 0.927 110.3 46.0 -57.6 -45.2 30.9 -19.8 -32.2 237 251 A S H > S+ 0 0 73 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.834 110.1 53.6 -66.1 -37.5 32.8 -18.8 -29.1 238 252 A R H X S+ 0 0 124 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.892 109.9 48.1 -64.1 -39.8 29.8 -16.8 -27.7 239 253 A I H >X S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 4,-0.7 0.919 107.9 56.0 -67.0 -42.5 27.6 -19.8 -28.1 240 254 A Q H >< S+ 0 0 124 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.881 105.8 51.6 -54.3 -41.6 30.3 -22.0 -26.4 241 255 A Q H 3< S+ 0 0 129 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.627 99.0 63.9 -78.7 -10.0 30.2 -19.7 -23.3 242 256 A E H << 0 0 73 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.616 360.0 360.0 -87.2 -14.6 26.4 -19.8 -23.0 243 257 A F << 0 0 143 -3,-0.8 -3,-0.0 -4,-0.7 0, 0.0 -0.224 360.0 360.0 -53.4 360.0 26.6 -23.6 -22.2