==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-AUG-04 1U9C . COMPND 2 MOLECULE: APC35852; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR D.BOREK,Y.CHEN,D.SHAO,F.COLLART,A.JOACHIMIAK,Z.OTWINOWSKI,MI . 221 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 5.9 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 1 0.5 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 . 12 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 1 2 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 M 0 0 234 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.0 0.3 4.7 40.6 2 2 A S - 0 0 55 1,-0.1 38,-0.1 37,-0.1 37,-0.1 0.042 360.0-105.2 -63.1 148.9 3.8 4.9 42.0 3 3 A K - 0 0 31 84,-0.1 38,-2.6 1,-0.1 2,-0.4 -0.337 34.5-136.7 -62.2 153.5 6.6 7.3 41.0 4 4 A R E -a 41 0A 80 36,-0.2 84,-2.0 38,-0.0 85,-1.2 -0.949 14.6-164.1-124.0 131.8 9.3 5.7 38.9 5 5 A V E -ab 42 89A 0 36,-2.0 38,-2.6 -2,-0.4 2,-0.5 -0.965 7.7-152.7-120.4 129.6 13.1 6.3 39.4 6 6 A L E -ab 43 90A 0 83,-2.8 85,-2.6 -2,-0.4 2,-0.4 -0.897 12.7-165.6 -98.7 122.5 15.8 5.5 36.9 7 7 A M E -ab 44 91A 0 36,-3.1 38,-2.9 -2,-0.5 2,-0.5 -0.938 3.1-168.4-108.4 132.6 19.2 4.8 38.5 8 8 A V E -a 45 0A 0 83,-2.1 2,-0.3 -2,-0.4 38,-0.2 -0.989 7.2-179.6-127.5 125.6 22.3 4.8 36.3 9 9 A V E -a 46 0A 0 36,-2.0 38,-1.6 -2,-0.5 85,-0.1 -0.809 26.7-100.9-121.7 161.4 25.7 3.5 37.3 10 10 A T - 0 0 0 84,-0.3 13,-0.2 -2,-0.3 88,-0.1 -0.267 13.4-167.3 -71.8 157.6 29.2 3.2 35.9 11 11 A N + 0 0 27 86,-0.2 2,-0.4 41,-0.1 -1,-0.1 0.205 52.1 120.1-121.5 12.6 30.8 0.0 34.5 12 12 A H + 0 0 41 1,-0.1 85,-0.2 41,-0.1 89,-0.1 -0.622 23.1 158.2 -90.7 134.1 34.3 1.5 34.3 13 13 A T + 0 0 44 -2,-0.4 8,-2.1 7,-0.1 2,-0.3 0.649 41.3 96.6-118.6 -23.3 37.3 0.1 36.2 14 14 A T E +G 20 0B 76 6,-0.2 6,-0.2 1,-0.2 3,-0.1 -0.531 20.2 130.1 -88.1 125.6 40.5 1.2 34.5 15 15 A I E S- 0 0 32 4,-1.0 2,-0.3 1,-0.8 5,-0.2 0.474 82.6 -27.1-121.2 -64.2 42.7 4.1 35.5 16 16 A T E > -G 19 0B 38 3,-1.7 3,-1.1 1,-0.0 -1,-0.8 -0.814 70.0 -93.4-137.6 176.8 46.3 2.7 35.7 17 17 A D T 3 S+ 0 0 166 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.857 127.7 42.5 -63.0 -34.4 47.7 -0.8 36.5 18 18 A D T 3 S+ 0 0 117 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.270 112.6 58.8 -91.9 7.1 48.0 0.2 40.2 19 19 A H E < +G 16 0B 74 -3,-1.1 -3,-1.7 2,-0.0 -4,-1.0 -0.870 59.4 171.6-148.3 107.9 44.6 2.0 40.5 20 20 A K E +G 14 0B 95 -2,-0.4 -6,-0.2 -5,-0.2 2,-0.2 -0.847 5.5 172.1-112.4 156.9 41.1 0.5 39.8 21 21 A T + 0 0 3 -8,-2.1 2,-0.3 -2,-0.3 -6,-0.1 -0.526 11.2 154.1-140.4-160.6 37.7 1.8 40.3 22 22 A G - 0 0 0 -2,-0.2 75,-1.3 33,-0.1 76,-0.3 -0.974 59.8 -14.4 162.3-154.6 34.0 1.3 39.7 23 23 A L B -h 54 0C 0 30,-2.7 32,-2.8 -2,-0.3 2,-1.0 -0.552 60.4-123.6 -72.6 136.8 30.7 2.3 41.4 24 24 A W >> - 0 0 58 70,-1.4 3,-1.5 -2,-0.2 4,-0.6 -0.790 28.1-145.7 -80.9 105.4 31.0 3.7 44.9 25 25 A L H >> S+ 0 0 0 -2,-1.0 4,-3.0 30,-0.3 3,-1.7 0.821 88.9 52.8 -47.7 -49.9 28.6 1.2 46.5 26 26 A E H 3> S+ 0 0 59 32,-0.3 4,-2.2 1,-0.3 -1,-0.3 0.801 99.9 63.8 -59.6 -35.3 26.9 3.3 49.1 27 27 A E H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.704 115.5 31.2 -65.3 -23.0 26.0 6.0 46.6 28 28 A F H S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.913 112.4 54.8 -57.6 -44.3 19.4 5.8 47.6 32 32 A Y H X S+ 0 0 32 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.940 110.1 46.2 -55.7 -47.0 18.1 2.5 46.3 33 33 A L H X S+ 0 0 33 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.901 111.5 51.9 -65.1 -44.6 16.9 1.5 49.7 34 34 A V H X S+ 0 0 2 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.948 113.4 44.7 -53.7 -49.5 15.3 5.0 50.4 35 35 A F H <>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 4,-0.4 0.914 112.4 50.0 -66.6 -41.5 13.4 4.8 47.1 36 36 A Q H ><5S+ 0 0 74 -4,-2.9 3,-1.7 -5,-0.2 -1,-0.2 0.919 108.2 55.2 -60.3 -41.5 12.3 1.2 47.6 37 37 A E H 3<5S+ 0 0 127 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.788 105.6 52.5 -61.1 -33.6 11.0 2.2 51.2 38 38 A K T 3<5S- 0 0 100 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.532 119.9-112.9 -79.5 -7.3 8.9 4.9 49.7 39 39 A G T < 5 + 0 0 47 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.645 61.0 156.5 84.7 16.9 7.4 2.3 47.3 40 40 A Y < - 0 0 18 -5,-2.2 2,-0.8 -38,-0.1 -1,-0.2 -0.381 49.2-117.5 -73.7 155.7 8.8 3.7 44.1 41 41 A D E -a 4 0A 76 -38,-2.6 -36,-2.0 -2,-0.1 2,-0.5 -0.835 38.5-165.2 -90.3 106.9 9.3 1.6 41.0 42 42 A V E -a 5 0A 18 -2,-0.8 2,-0.6 -38,-0.2 -36,-0.2 -0.828 12.6-160.1-105.7 125.2 13.1 1.7 40.5 43 43 A K E -a 6 0A 66 -38,-2.6 -36,-3.1 -2,-0.5 2,-0.7 -0.907 12.1-150.3-100.1 123.3 14.9 0.7 37.3 44 44 A V E +a 7 0A 19 -2,-0.6 33,-2.4 -38,-0.2 2,-0.3 -0.878 26.4 166.5 -99.4 108.0 18.5 -0.2 37.8 45 45 A A E -ac 8 77A 0 -38,-2.9 -36,-2.0 -2,-0.7 2,-0.3 -0.842 17.8-170.6-117.7 158.4 20.6 0.6 34.7 46 46 A S E -ac 9 78A 0 31,-2.6 33,-2.8 -2,-0.3 -36,-0.2 -0.918 42.4-102.3-135.7 169.2 24.3 0.8 33.9 47 47 A I S S+ 0 0 17 -38,-1.6 -37,-0.1 -2,-0.3 -1,-0.1 0.930 121.6 20.5 -55.9 -46.0 26.1 2.0 30.8 48 48 A Q S S- 0 0 130 1,-0.2 30,-0.2 30,-0.1 -1,-0.2 0.647 101.8-131.4 -97.7 -15.9 26.8 -1.6 29.7 49 49 A G + 0 0 13 28,-0.5 28,-0.2 1,-0.2 -1,-0.2 -0.119 64.8 66.8 76.4 175.1 24.2 -3.6 31.6 50 50 A G B S+I 76 0D 33 26,-2.6 26,-2.1 -4,-0.1 2,-0.6 -0.420 96.4 0.3 80.1-155.9 25.2 -6.7 33.5 51 51 A E - 0 0 139 24,-0.2 23,-0.3 -2,-0.1 22,-0.1 -0.639 69.5-140.8 -81.5 116.3 27.3 -7.0 36.6 52 52 A V - 0 0 9 21,-2.6 2,-0.2 -2,-0.6 -41,-0.1 -0.579 12.9-128.9 -81.5 131.3 28.5 -3.6 37.9 53 53 A P - 0 0 35 0, 0.0 -30,-2.7 0, 0.0 2,-0.4 -0.551 20.9-140.1 -78.3 142.5 32.1 -3.4 39.2 54 54 A L B -h 23 0C 49 -32,-0.3 -30,-0.2 -2,-0.2 5,-0.1 -0.840 21.1-108.4-104.9 141.4 32.5 -1.8 42.6 55 55 A D > - 0 0 11 -32,-2.8 3,-2.2 -2,-0.4 4,-0.3 -0.463 31.0-132.6 -59.7 128.5 35.3 0.6 43.6 56 56 A P G > S+ 0 0 63 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.788 104.1 59.9 -62.7 -24.7 37.4 -1.5 46.0 57 57 A R G 3 S+ 0 0 200 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.571 103.7 54.7 -75.7 -5.5 37.6 1.3 48.5 58 58 A S G < S+ 0 0 11 -3,-2.2 3,-0.3 -35,-0.2 -32,-0.3 0.447 92.7 67.3-109.2 2.5 33.7 1.2 48.8 59 59 A I S < S+ 0 0 65 -3,-0.8 3,-0.5 -4,-0.3 -1,-0.1 0.333 74.2 86.2-107.5 8.2 33.0 -2.5 49.6 60 60 A N S S+ 0 0 116 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.587 91.2 38.9 -91.3 -14.6 34.5 -2.8 53.1 61 61 A E S S+ 0 0 163 -3,-0.3 -1,-0.2 2,-0.0 2,-0.1 -0.373 72.7 175.4-132.4 51.6 31.6 -1.7 55.3 62 62 A K - 0 0 104 -3,-0.5 -3,-0.1 1,-0.1 5,-0.0 -0.404 27.1-131.8 -65.0 130.0 28.5 -3.1 53.7 63 63 A D > - 0 0 71 -2,-0.1 3,-2.2 1,-0.1 4,-0.1 -0.630 15.6-126.2 -76.4 138.7 25.3 -2.4 55.7 64 64 A P G > S+ 0 0 117 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.849 109.3 66.4 -54.9 -26.3 23.1 -5.5 56.2 65 65 A S G 3 S+ 0 0 45 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.640 86.8 71.1 -68.2 -19.4 20.2 -3.5 54.8 66 66 A W G <> + 0 0 17 -3,-2.2 4,-2.9 1,-0.2 5,-0.3 0.388 62.0 107.7 -81.2 5.7 22.0 -3.3 51.3 67 67 A A H <> S+ 0 0 59 -3,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.898 82.4 42.8 -54.0 -49.3 21.5 -7.0 50.4 68 68 A E H > S+ 0 0 138 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.885 113.8 52.2 -69.1 -36.7 18.8 -6.3 47.8 69 69 A A H > S+ 0 0 3 -4,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.945 108.5 51.1 -60.1 -45.4 20.8 -3.4 46.3 70 70 A E H < S+ 0 0 41 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.887 110.5 48.7 -60.9 -42.3 23.9 -5.4 46.0 71 71 A A H >< S+ 0 0 46 -4,-1.8 3,-1.6 -5,-0.3 4,-0.4 0.895 104.8 58.1 -65.6 -39.1 22.0 -8.1 44.2 72 72 A A H >< S+ 0 0 11 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.843 99.3 60.3 -56.6 -35.8 20.4 -5.7 41.8 73 73 A L T 3< S+ 0 0 5 -4,-1.5 -21,-2.6 1,-0.3 3,-0.5 0.618 91.5 67.9 -71.4 -11.8 23.8 -4.5 40.7 74 74 A K T < S+ 0 0 121 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.653 112.9 27.4 -80.1 -13.8 24.7 -8.0 39.5 75 75 A H S < S+ 0 0 139 -3,-1.3 -1,-0.2 -4,-0.4 -24,-0.2 -0.376 82.4 168.4-147.8 59.4 22.1 -7.9 36.6 76 76 A T B -I 50 0D 12 -26,-2.1 -26,-2.6 -3,-0.5 -31,-0.2 -0.355 36.4-109.9 -74.9 156.4 21.6 -4.3 35.6 77 77 A A E -c 45 0A 37 -33,-2.4 -31,-2.6 -28,-0.2 2,-0.6 -0.505 33.3-112.3 -75.5 149.7 19.7 -3.2 32.5 78 78 A R E -c 46 0A 178 -30,-0.2 -31,-0.2 -33,-0.2 -30,-0.1 -0.753 39.8-108.9 -84.3 124.2 21.8 -1.6 29.7 79 79 A L - 0 0 7 -33,-2.8 2,-0.3 -2,-0.6 29,-0.1 -0.215 44.3-176.9 -56.8 137.7 20.9 2.1 29.4 80 80 A S > - 0 0 42 27,-0.1 3,-1.5 1,-0.1 4,-0.1 -0.888 43.6-113.2-129.2 158.1 18.8 2.9 26.3 81 81 A K G > S+ 0 0 91 -2,-0.3 3,-2.1 1,-0.3 4,-0.2 0.823 115.3 72.0 -61.0 -22.5 17.4 6.0 24.7 82 82 A D G > S+ 0 0 136 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.791 84.8 67.2 -59.5 -30.0 14.1 4.4 25.6 83 83 A D G < S+ 0 0 7 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.519 76.3 86.3 -71.5 -0.6 14.9 5.2 29.2 84 84 A A G < S+ 0 0 1 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.2 0.687 94.4 41.0 -71.1 -16.0 14.6 8.9 28.4 85 85 A H S < S+ 0 0 86 -3,-1.3 3,-0.1 -4,-0.2 30,-0.0 -0.870 93.1 47.4-133.9 155.9 10.8 8.6 29.0 86 86 A G S S+ 0 0 32 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.413 86.3 99.7 97.6 2.0 8.6 7.0 31.6 87 87 A F - 0 0 4 -4,-0.1 -1,-0.2 -3,-0.1 -82,-0.2 -0.958 56.7-155.3-124.1 143.5 10.5 8.1 34.7 88 88 A D S S+ 0 0 34 -84,-2.0 33,-2.0 -2,-0.4 2,-0.3 0.697 83.6 13.5 -83.2 -24.5 9.8 10.9 37.2 89 89 A A E -bd 5 121A 0 -85,-1.2 -83,-2.8 31,-0.2 2,-0.4 -0.994 59.3-149.6-149.9 151.2 13.5 11.1 38.3 90 90 A I E -bd 6 122A 0 31,-2.2 33,-2.5 -2,-0.3 2,-0.4 -0.968 15.7-163.2-122.0 142.2 17.0 10.0 37.3 91 91 A F E -bd 7 123A 1 -85,-2.6 -83,-2.1 -2,-0.4 33,-0.2 -0.992 3.7-163.5-129.3 125.4 19.7 9.3 39.9 92 92 A L E - d 0 124A 0 31,-2.3 33,-2.3 -2,-0.4 36,-0.2 -0.885 7.0-163.1-113.0 96.6 23.4 9.1 39.2 93 93 A P - 0 0 0 0, 0.0 -83,-0.1 0, 0.0 -65,-0.1 -0.292 18.0-133.9 -63.9 167.7 25.6 7.6 41.8 94 94 A G + 0 0 0 -70,-0.2 -70,-1.4 33,-0.1 -84,-0.3 0.213 39.1 144.9-104.0-140.4 29.3 8.1 41.7 95 95 A G > - 0 0 0 -72,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.020 68.6 -88.3 101.6 150.4 32.7 6.4 42.0 96 96 A H T > S+ 0 0 15 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.738 119.0 77.9 -64.6 -20.7 35.7 7.4 39.9 97 97 A G T >> S+ 0 0 0 -75,-1.3 3,-1.8 1,-0.3 4,-1.1 0.847 84.2 64.2 -54.0 -37.3 34.5 5.0 37.1 98 98 A T H <> S+ 0 0 0 -3,-1.6 4,-2.4 -76,-0.3 -1,-0.3 0.787 88.5 66.1 -58.1 -32.7 31.9 7.6 36.1 99 99 A M H <4 S+ 0 0 2 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.716 109.6 39.6 -62.0 -22.1 34.6 10.1 35.1 100 100 A F H <4 S+ 0 0 68 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.631 127.4 26.2-102.0 -23.4 35.5 7.7 32.3 101 101 A D H < S+ 0 0 26 -4,-1.1 -2,-0.2 -3,-0.1 -3,-0.2 0.515 116.1 54.1-122.4 -4.3 32.2 6.3 31.0 102 102 A F S >< S+ 0 0 0 -4,-2.4 3,-1.3 -5,-0.2 -3,-0.2 0.884 94.6 57.3 -91.9 -48.8 29.6 9.1 31.8 103 103 A P T 3 S+ 0 0 2 0, 0.0 31,-0.3 0, 0.0 -4,-0.1 0.780 116.7 31.4 -61.4 -34.5 30.7 12.4 30.4 104 104 A D T 3 S+ 0 0 129 -4,-0.1 2,-0.6 29,-0.1 -2,-0.1 0.251 85.1 121.6-106.9 12.9 31.0 11.4 26.7 105 105 A N <> - 0 0 37 -3,-1.3 4,-2.2 1,-0.2 5,-0.2 -0.643 48.6-158.4 -81.1 115.0 28.3 8.7 26.6 106 106 A E H > S+ 0 0 101 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.818 88.7 54.7 -64.8 -33.6 25.8 9.8 24.0 107 107 A T H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.944 110.9 44.9 -62.8 -49.1 23.0 7.7 25.4 108 108 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.899 111.9 52.7 -64.5 -39.0 23.3 9.2 28.8 109 109 A Q H X S+ 0 0 52 -4,-2.2 4,-2.3 2,-0.2 27,-0.3 0.927 111.1 47.7 -60.5 -42.7 23.6 12.8 27.3 110 110 A Y H X S+ 0 0 85 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.929 112.6 48.2 -64.6 -45.2 20.4 12.1 25.3 111 111 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.948 112.1 48.0 -58.8 -49.3 18.6 10.8 28.4 112 112 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.888 109.0 55.7 -65.1 -38.5 19.6 13.7 30.6 113 113 A Q H X S+ 0 0 26 -4,-2.3 4,-3.3 -5,-0.2 -1,-0.2 0.926 109.3 45.9 -57.4 -45.6 18.6 16.2 27.9 114 114 A Q H X S+ 0 0 28 -4,-2.0 4,-1.9 2,-0.2 6,-0.2 0.913 111.1 51.1 -66.9 -43.3 15.1 14.7 27.8 115 115 A F H <>S+ 0 0 1 -4,-2.4 5,-2.3 2,-0.2 4,-0.3 0.931 114.5 45.2 -54.5 -44.5 14.7 14.7 31.6 116 116 A A H ><5S+ 0 0 13 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.963 112.7 50.0 -65.1 -48.9 15.8 18.4 31.6 117 117 A E H 3<5S+ 0 0 81 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.791 112.6 49.4 -57.6 -31.6 13.5 19.3 28.7 118 118 A D T 3<5S- 0 0 72 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.324 111.0-115.3 -99.1 5.1 10.6 17.6 30.4 119 119 A G T < 5 + 0 0 29 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.691 64.7 145.3 74.7 22.3 11.0 19.2 33.9 120 120 A R < - 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0 0 0 -11,-2.4 -48,-0.1 -2,-0.3 -10,-0.1 0.825 68.8 -16.1 -85.1 -35.8 29.1 16.2 47.3 202 202 A N S > S- 0 0 0 -12,-0.3 3,-2.4 -14,-0.1 4,-0.2 -0.886 83.1 -69.0-161.4-179.2 30.4 12.8 48.5 203 203 A P G > S+ 0 0 7 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.879 125.9 60.5 -57.9 -34.6 29.5 9.4 49.9 204 204 A Q G 3 S+ 0 0 88 1,-0.3 4,-0.3 2,-0.1 -15,-0.2 0.583 99.6 57.7 -67.4 -11.6 28.4 11.0 53.1 205 205 A S G <> S+ 0 0 0 -3,-2.4 4,-2.2 -16,-0.1 -1,-0.3 0.315 76.2 100.2 -96.3 2.5 25.8 13.0 51.1 206 206 A S H <> S+ 0 0 0 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 0.929 83.4 44.2 -60.3 -48.3 24.0 9.9 49.6 207 207 A R H > S+ 0 0 113 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.943 113.7 48.0 -63.7 -45.4 21.1 9.8 52.0 208 208 A S H > S+ 0 0 20 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.877 110.5 53.1 -67.8 -33.8 20.4 13.6 51.9 209 209 A T H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.946 110.3 47.4 -64.1 -49.5 20.5 13.6 48.2 210 210 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.884 108.7 54.7 -58.7 -38.6 18.0 10.8 48.0 211 211 A E H X S+ 0 0 85 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.840 104.2 54.4 -69.7 -30.4 15.8 12.6 50.5 212 212 A K H X S+ 0 0 63 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.888 107.5 51.0 -64.0 -38.8 15.7 15.7 48.4 213 213 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.935 109.4 50.5 -61.2 -47.6 14.5 13.5 45.4 214 214 A V H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.933 110.2 49.7 -57.6 -44.7 11.8 12.1 47.6 215 215 A A H X S+ 0 0 34 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.937 111.0 48.8 -61.9 -45.7 10.7 15.6 48.6 216 216 A A H < S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.892 113.1 47.6 -61.2 -38.7 10.6 16.8 45.0 217 217 A L H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.899 106.2 57.9 -69.1 -37.0 8.5 13.7 44.0 218 218 A E H >< S+ 0 0 95 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.859 101.2 57.6 -58.7 -36.3 6.1 14.2 46.9 219 219 A E T 3< S+ 0 0 119 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.711 103.9 53.8 -62.8 -24.0 5.4 17.6 45.6 220 220 A R T < 0 0 76 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.105 360.0 360.0-107.5 15.3 4.3 16.1 42.3 221 221 A E < 0 0 170 -3,-1.2 -3,-0.0 -4,-0.0 0, 0.0 -0.443 360.0 360.0 -66.1 360.0 1.7 13.7 43.6