==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 14-MAY-13 4KQC . COMPND 2 MOLECULE: PERIPLASMIC BINDING PROTEIN/LACI TRANSCRIPTIONAL . SOURCE 2 ORGANISM_SCIENTIFIC: BRACHYSPIRA MURDOCHII; . AUTHOR J.OSIPIUK,G.JOACHIMIAK,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER . 319 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.9 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 . 1 0.3 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 . 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 . 17 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 0 0 1 2 1 0 0 1 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 22 A S 0 0 61 0, 0.0 63,-0.1 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 171.0 15.2 11.0 3.9 2 23 A N + 0 0 166 1,-0.2 62,-0.0 2,-0.1 0, 0.0 0.900 360.0 42.1 -57.3 -44.1 16.4 13.5 6.6 3 24 A A S S+ 0 0 100 1,-0.3 -1,-0.2 2,-0.0 0, 0.0 0.803 132.0 24.3 -76.6 -25.5 13.7 16.0 5.6 4 25 A D S S- 0 0 108 2,-0.1 -1,-0.3 32,-0.0 -2,-0.1 -0.748 88.3-143.1-142.2 81.8 11.0 13.2 5.2 5 26 A P + 0 0 42 0, 0.0 31,-1.9 0, 0.0 2,-0.3 -0.207 27.1 173.1 -57.2 133.0 11.9 10.2 7.3 6 27 A Y E -a 36 0A 46 29,-0.2 58,-2.6 56,-0.1 59,-0.5 -0.971 15.4-175.1-151.0 127.3 11.0 7.0 5.7 7 28 A I E -a 37 0A 0 29,-2.6 31,-1.6 -2,-0.3 2,-0.5 -0.986 20.0-136.7-127.7 131.9 11.6 3.3 6.6 8 29 A A E -ab 38 66A 0 57,-2.1 59,-2.8 -2,-0.4 2,-0.5 -0.770 14.6-168.1 -89.2 128.2 10.7 0.3 4.4 9 30 A V E -ab 39 67A 1 29,-0.9 31,-2.7 -2,-0.5 2,-0.7 -0.975 0.2-169.0-116.8 112.0 9.1 -2.7 6.2 10 31 A V E +ab 40 68A 0 57,-2.9 59,-2.1 -2,-0.5 31,-0.2 -0.928 18.5 178.0-106.0 110.8 8.9 -5.8 4.0 11 32 A S - 0 0 0 29,-2.1 60,-0.2 -2,-0.7 3,-0.1 -0.386 44.6-101.4-104.3-178.5 6.8 -8.3 5.8 12 33 A K - 0 0 26 1,-0.3 3,-0.4 29,-0.2 29,-0.1 0.421 65.8-120.5 -86.0 9.5 5.5 -11.9 5.0 13 34 A G - 0 0 1 1,-0.2 3,-0.4 27,-0.1 -1,-0.3 -0.292 34.5 -64.0 75.1-174.2 2.1 -10.5 4.0 14 35 A F S S+ 0 0 84 28,-0.4 -1,-0.2 1,-0.2 29,-0.1 0.146 87.2 114.9-106.8 18.5 -1.3 -11.2 5.4 15 36 A Q S S+ 0 0 88 -3,-0.4 2,-0.5 27,-0.4 -1,-0.2 0.911 89.2 39.8 -43.9 -45.4 -1.9 -14.9 4.6 16 37 A H S > S- 0 0 38 -3,-0.4 3,-1.9 1,-0.1 4,-0.2 -0.939 85.3-136.9-112.3 129.3 -1.8 -15.2 8.4 17 38 A K T >> S+ 0 0 122 302,-0.6 3,-1.3 -2,-0.5 4,-1.2 0.575 93.2 86.5 -68.4 -14.0 -3.5 -12.6 10.6 18 39 A F H 3> S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.867 85.0 60.6 -37.1 -44.8 -0.6 -12.6 13.0 19 40 A W H <> S+ 0 0 7 -3,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.734 92.2 61.7 -72.2 -19.6 0.8 -10.0 10.5 20 41 A V H <> S+ 0 0 55 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.928 108.0 45.9 -65.2 -41.5 -2.1 -7.6 11.0 21 42 A T H X S+ 0 0 27 -4,-1.2 4,-1.9 -3,-0.3 -2,-0.2 0.900 109.3 53.1 -69.7 -36.5 -1.0 -7.4 14.6 22 43 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.914 108.1 52.4 -60.4 -47.1 2.7 -7.0 13.6 23 44 A R H X S+ 0 0 94 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.902 105.5 54.1 -56.1 -43.3 1.6 -4.1 11.4 24 45 A D H X S+ 0 0 84 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.898 110.4 46.8 -56.6 -43.3 -0.2 -2.5 14.3 25 46 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.924 113.2 48.8 -64.0 -45.4 3.0 -2.6 16.3 26 47 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.914 110.6 49.1 -60.8 -47.5 5.1 -1.3 13.5 27 48 A E H X S+ 0 0 84 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.897 109.9 53.9 -63.0 -37.1 2.7 1.6 12.8 28 49 A A H X S+ 0 0 30 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.933 111.0 43.2 -61.1 -49.9 2.8 2.5 16.5 29 50 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.849 112.4 55.5 -63.0 -36.7 6.5 2.7 16.7 30 51 A A H X>S+ 0 0 1 -4,-2.3 5,-2.4 -5,-0.2 4,-0.7 0.964 110.4 43.5 -64.6 -46.8 6.6 4.6 13.4 31 52 A K H ><5S+ 0 0 178 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.937 111.3 55.3 -62.8 -43.2 4.2 7.3 14.7 32 53 A Q H 3<5S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.900 114.3 40.0 -57.1 -36.6 6.1 7.4 18.1 33 54 A N H 3<5S- 0 0 44 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.359 112.6-113.8 -98.7 2.9 9.4 8.1 16.2 34 55 A G T <<5S+ 0 0 57 -3,-1.1 2,-0.4 -4,-0.7 -3,-0.2 0.844 71.4 130.0 73.0 36.4 8.1 10.5 13.6 35 56 A V < - 0 0 9 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.950 53.6-134.0-126.3 141.6 8.8 8.3 10.6 36 57 A K E -a 6 0A 146 -31,-1.9 -29,-2.6 -2,-0.4 2,-0.3 -0.739 28.0-164.3 -85.5 138.2 6.6 7.1 7.7 37 58 A I E -a 7 0A 22 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.924 19.4-143.7-120.6 152.5 6.8 3.4 6.9 38 59 A S E -a 8 0A 14 -31,-1.6 -29,-0.9 -2,-0.3 2,-0.3 -0.772 13.9-164.0 -92.9 148.2 5.8 1.2 4.1 39 60 A F E +a 9 0A 24 -2,-0.3 2,-0.4 -31,-0.1 -29,-0.2 -0.785 24.7 163.5-137.0 94.1 4.5 -2.2 5.2 40 61 A V E +a 10 0A 34 -31,-2.7 -29,-2.1 -2,-0.3 -27,-0.1 -0.953 5.7 150.0-126.0 138.0 4.6 -4.5 2.2 41 62 A G - 0 0 28 -2,-0.4 -29,-0.2 -31,-0.2 -27,-0.1 -0.963 43.1 -79.5-158.9 169.6 4.4 -8.2 1.6 42 63 A P - 0 0 3 0, 0.0 -28,-0.4 0, 0.0 -27,-0.4 -0.251 38.8-116.4 -71.4 159.0 3.3 -11.0 -0.7 43 64 A E S S+ 0 0 162 -30,-0.2 2,-0.3 1,-0.1 -29,-0.1 0.914 101.7 9.7 -63.9 -43.5 -0.3 -12.2 -1.1 44 65 A T S > S- 0 0 45 -30,-0.1 3,-1.9 -29,-0.1 -1,-0.1 -0.923 82.6-111.8-127.9 160.5 0.8 -15.6 0.3 45 66 A E T 3 S+ 0 0 49 -2,-0.3 27,-0.4 1,-0.3 6,-0.1 0.691 113.8 65.1 -67.4 -16.0 4.0 -16.8 1.8 46 67 A S T 3 S+ 0 0 101 1,-0.2 2,-2.0 25,-0.1 3,-0.3 0.569 76.3 93.5 -77.5 -7.0 4.8 -19.0 -1.2 47 68 A D <> + 0 0 65 -3,-1.9 4,-1.8 1,-0.2 -1,-0.2 -0.410 43.7 152.6 -89.3 65.2 5.0 -15.8 -3.5 48 69 A S H > + 0 0 33 -2,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.858 66.4 57.4 -62.4 -39.8 8.8 -15.5 -3.1 49 70 A K H > S+ 0 0 151 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.907 107.2 48.1 -62.5 -41.1 9.2 -13.8 -6.5 50 71 A I H > S+ 0 0 72 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.892 110.4 51.9 -67.3 -35.1 6.8 -11.0 -5.5 51 72 A Q H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.926 109.3 50.0 -67.1 -38.3 8.6 -10.5 -2.1 52 73 A Q H X S+ 0 0 49 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.942 113.2 47.1 -57.1 -47.7 11.9 -10.3 -4.0 53 74 A D H X S+ 0 0 86 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.890 111.2 49.7 -62.3 -41.8 10.3 -7.6 -6.3 54 75 A L H X S+ 0 0 46 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.905 110.4 50.7 -64.5 -44.1 8.8 -5.7 -3.4 55 76 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.937 111.7 48.7 -59.1 -46.0 12.2 -5.6 -1.6 56 77 A D H X S+ 0 0 42 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.908 109.4 51.9 -56.7 -47.2 13.8 -4.4 -4.8 57 78 A S H X S+ 0 0 66 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.889 111.7 46.8 -56.5 -40.6 11.2 -1.7 -5.2 58 79 A E H >< S+ 0 0 10 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.887 108.8 54.2 -71.3 -38.8 11.7 -0.5 -1.6 59 80 A I H >< S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.2 -1,-0.2 0.916 102.5 59.2 -59.1 -44.6 15.6 -0.5 -2.0 60 81 A N H 3< S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.726 93.7 65.9 -58.5 -23.7 15.2 1.7 -5.0 61 82 A K T << S- 0 0 118 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.467 103.7-129.0 -71.3 -6.0 13.4 4.4 -2.9 62 83 A N < - 0 0 98 -3,-2.1 -3,-0.1 -4,-0.2 -2,-0.1 0.941 36.9-167.5 48.4 58.4 16.6 4.9 -0.9 63 84 A P - 0 0 7 0, 0.0 -56,-0.2 0, 0.0 3,-0.1 -0.233 32.2-115.5 -69.1 161.6 14.9 4.5 2.5 64 85 A D S S- 0 0 35 -58,-2.6 2,-0.3 1,-0.2 -57,-0.2 0.752 92.5 -15.9 -68.6 -24.4 16.5 5.5 5.7 65 86 A A - 0 0 0 -59,-0.5 -57,-2.1 22,-0.2 2,-0.4 -0.949 63.0-133.2-168.8 164.8 16.5 1.9 6.8 66 87 A I E -bc 8 89A 0 22,-2.5 24,-2.7 -2,-0.3 2,-0.4 -0.999 6.7-163.1-129.6 134.0 14.8 -1.5 5.9 67 88 A A E -bc 9 90A 0 -59,-2.8 -57,-2.9 -2,-0.4 2,-0.4 -0.966 22.2-172.3-110.9 135.9 13.2 -4.0 8.2 68 89 A F E -bc 10 91A 1 22,-2.4 24,-1.9 -2,-0.4 2,-0.5 -0.990 28.1-176.3-140.2 130.7 12.8 -7.4 6.6 69 90 A A - 0 0 0 -59,-2.1 2,-0.2 -2,-0.4 27,-0.2 -0.944 31.1-145.6-122.4 107.4 11.1 -10.8 7.3 70 91 A A - 0 0 11 25,-2.5 -58,-0.1 -2,-0.5 2,-0.1 -0.484 4.1-148.6 -80.5 134.1 12.0 -13.2 4.4 71 92 A V - 0 0 9 -2,-0.2 2,-0.1 1,-0.2 -25,-0.1 -0.302 57.6 -58.2 -74.3 179.1 9.6 -15.8 3.2 72 93 A T S S+ 0 0 111 -27,-0.4 2,-0.3 -2,-0.1 -1,-0.2 -0.436 100.6 75.0 -61.0 128.7 11.2 -19.0 1.8 73 94 A G S S- 0 0 30 -2,-0.1 2,-0.7 -3,-0.1 -3,-0.0 -0.857 84.0 -65.1 151.7-179.4 13.6 -18.0 -1.1 74 95 A D + 0 0 88 -2,-0.3 3,-0.2 1,-0.1 4,-0.1 -0.871 41.2 162.5-110.1 109.1 16.9 -16.5 -2.0 75 96 A F > + 0 0 0 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.113 38.8 115.6-108.6 20.1 17.3 -12.8 -1.3 76 97 A T H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.842 74.2 53.2 -63.5 -35.9 21.1 -12.6 -1.5 77 98 A E H > S+ 0 0 153 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 112.2 45.6 -63.8 -44.0 21.1 -10.3 -4.5 78 99 A Q H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.932 114.4 47.5 -65.2 -43.5 18.8 -7.8 -2.7 79 100 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.919 109.3 54.5 -68.4 -38.0 20.8 -8.0 0.5 80 101 A K H X S+ 0 0 140 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.922 110.1 46.7 -58.5 -44.0 24.1 -7.6 -1.4 81 102 A R H X S+ 0 0 76 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.905 110.0 52.7 -64.9 -44.7 22.6 -4.4 -3.0 82 103 A I H <>S+ 0 0 0 -4,-2.5 5,-1.8 2,-0.2 4,-0.5 0.914 109.8 50.2 -52.8 -47.3 21.4 -3.1 0.5 83 104 A K H ><5S+ 0 0 106 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.956 111.1 47.8 -61.3 -47.2 25.0 -3.7 1.8 84 105 A E H 3<5S+ 0 0 140 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.894 111.7 49.5 -61.2 -39.2 26.5 -1.8 -1.1 85 106 A K T 3<5S- 0 0 69 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.503 107.3-128.5 -76.7 -5.4 24.1 1.1 -0.7 86 107 A N T < 5 + 0 0 140 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.815 50.1 159.3 55.0 37.3 24.8 1.3 3.0 87 108 A I < - 0 0 17 -5,-1.8 -1,-0.2 -6,-0.2 -22,-0.2 -0.763 48.5-112.0 -82.7 124.0 21.1 1.1 4.0 88 109 A P - 0 0 29 0, 0.0 -22,-2.5 0, 0.0 2,-0.5 -0.396 35.4-155.4 -60.6 132.4 20.8 -0.1 7.6 89 110 A L E -cd 66 105A 0 15,-0.7 17,-2.5 -24,-0.2 18,-0.5 -0.964 14.0-177.7-119.7 126.9 19.1 -3.5 7.6 90 111 A I E -cd 67 107A 0 -24,-2.7 -22,-2.4 -2,-0.5 2,-0.3 -0.955 15.6-144.7-119.5 133.7 17.1 -5.0 10.5 91 112 A G E -cd 68 108A 0 16,-2.5 18,-2.2 -2,-0.4 2,-0.3 -0.701 18.0-173.3 -87.8 155.5 15.6 -8.5 10.5 92 113 A F E > - d 0 109A 1 -24,-1.9 3,-2.5 -2,-0.3 18,-0.2 -0.991 54.6 -5.5-146.0 158.3 12.3 -9.2 12.2 93 114 A D T 3 S- 0 0 19 16,-2.3 3,-0.1 -2,-0.3 -23,-0.1 -0.414 144.7 -9.7 54.9-133.1 10.3 -12.3 12.9 94 115 A S T 3 S- 0 0 30 1,-0.2 -1,-0.3 -24,-0.1 -25,-0.1 0.669 101.3-176.7 -68.5 -13.3 12.4 -15.1 11.2 95 116 A G < - 0 0 2 -3,-2.5 -25,-2.5 14,-0.2 2,-0.4 -0.217 42.8 -18.5 65.2-138.4 14.4 -12.2 9.6 96 117 A I S S- 0 0 15 -27,-0.2 5,-0.1 -3,-0.1 -5,-0.1 -0.904 74.6-106.9-109.8 133.5 17.1 -13.0 7.0 97 118 A L >> - 0 0 62 -2,-0.4 3,-2.5 1,-0.1 4,-0.7 -0.380 31.4-122.6 -60.5 140.1 18.5 -16.6 6.9 98 119 A P G >4 S+ 0 0 89 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.846 109.7 55.8 -58.3 -38.1 22.0 -16.5 8.3 99 120 A D G 34 S+ 0 0 138 1,-0.2 -2,-0.1 2,-0.1 -23,-0.0 0.486 111.4 46.2 -73.2 -0.4 23.7 -17.8 5.2 100 121 A Q G <4 S+ 0 0 15 -3,-2.5 -1,-0.2 1,-0.1 -3,-0.1 0.443 87.9 87.5-107.5 -13.9 22.1 -15.0 3.2 101 122 A A X< - 0 0 17 -3,-1.0 3,-2.6 -4,-0.7 4,-0.2 0.743 65.6-162.4 -70.8 -24.7 22.9 -12.1 5.5 102 123 A Q T 3 - 0 0 69 -4,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.778 67.4 -64.4 53.3 33.3 26.4 -11.3 4.2 103 124 A G T 3 S+ 0 0 74 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.675 117.3 107.5 71.7 7.3 27.3 -9.3 7.3 104 125 A A < + 0 0 16 -3,-2.6 2,-0.8 -16,-0.0 -15,-0.7 0.540 44.8 95.0 -96.9 -12.4 24.6 -6.7 6.5 105 126 A V E -d 89 0A 38 -4,-0.2 -15,-0.2 1,-0.2 3,-0.1 -0.742 49.0-174.4 -89.7 114.5 22.1 -7.5 9.2 106 127 A L E - 0 0 98 -17,-2.5 2,-0.3 -2,-0.8 -16,-0.2 0.812 63.8 -23.4 -73.7 -36.5 22.6 -5.1 12.1 107 128 A A E -d 90 0A 0 -18,-0.5 -16,-2.5 187,-0.1 2,-0.3 -0.938 56.3-141.6-170.5 160.2 20.1 -6.6 14.5 108 129 A T E -d 91 0A 30 -2,-0.3 188,-2.8 -18,-0.2 2,-0.5 -0.987 5.4-148.7-136.2 140.2 16.9 -8.6 14.5 109 130 A A E +de 92 296A 0 -18,-2.2 -16,-2.3 -2,-0.3 2,-0.3 -0.967 46.8 123.6-106.3 119.5 13.7 -8.5 16.6 110 131 A S E - 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0 0 46 -2,-0.5 -37,-0.1 -39,-0.2 -39,-0.1 -0.949 22.2-134.2-113.5 118.2 9.5 -33.3 8.8 186 207 A P - 0 0 4 0, 0.0 8,-0.1 0, 0.0 7,-0.1 -0.356 23.5-114.7 -69.0 156.1 6.7 -33.5 6.3 187 208 A T S S- 0 0 117 6,-0.2 2,-0.3 -38,-0.1 7,-0.0 0.813 96.6 -2.5 -67.3 -27.3 7.7 -33.2 2.6 188 209 A T S S- 0 0 52 2,-0.2 -1,-0.0 -39,-0.0 -39,-0.0 -0.928 74.1-110.1-143.1 176.3 5.8 -29.9 2.4 189 210 A Q S S+ 0 0 65 -2,-0.3 2,-0.1 4,-0.1 30,-0.1 0.183 79.0 120.4 -91.7 16.3 3.7 -27.8 4.8 190 211 A N S > S- 0 0 108 1,-0.1 4,-2.0 29,-0.0 5,-0.2 -0.428 76.5-105.3 -79.4 160.6 0.6 -28.7 2.6 191 212 A E H > S+ 0 0 143 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.856 113.3 44.1 -54.7 -51.2 -2.4 -30.5 4.1 192 213 A A H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 111.5 54.2 -67.1 -38.0 -2.0 -34.0 2.7 193 214 A D H > S+ 0 0 49 2,-0.2 4,-1.1 1,-0.2 -6,-0.2 0.923 114.7 40.0 -65.7 -38.1 1.6 -34.1 3.4 194 215 A I H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 3,-0.5 0.945 115.9 50.7 -74.7 -46.2 1.2 -33.3 7.1 195 216 A A H X S+ 0 0 11 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.879 107.1 54.6 -59.2 -37.9 -2.0 -35.4 7.5 196 217 A N H X S+ 0 0 108 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.855 108.9 47.8 -67.2 -33.3 -0.2 -38.4 5.9 197 218 A E H >< S+ 0 0 69 -4,-1.1 3,-0.9 -3,-0.5 4,-0.3 0.905 109.9 52.3 -70.8 -37.9 2.6 -38.1 8.5 198 219 A V H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 4,-0.4 0.882 96.7 70.1 -69.1 -32.1 0.0 -37.8 11.4 199 220 A N H >< S+ 0 0 78 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.853 93.5 55.6 -46.6 -42.1 -1.7 -41.0 10.1 200 221 A A T << S+ 0 0 71 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.621 99.8 61.4 -70.7 -12.2 1.4 -43.1 11.2 201 222 A L T <>>S+ 0 0 6 -3,-2.1 4,-0.7 -4,-0.3 5,-0.5 0.537 86.5 97.5 -92.6 -3.7 0.9 -41.7 14.7 202 223 A R T <45 + 0 0 120 -3,-1.3 37,-0.0 -4,-0.4 22,-0.0 -0.295 61.3 48.9 -74.3 162.9 -2.6 -43.2 15.1 203 224 A G T 45S- 0 0 51 1,-0.1 -1,-0.2 2,-0.1 36,-0.1 0.943 128.2 -50.2 80.8 49.8 -3.4 -46.4 16.9 204 225 A K T 45S+ 0 0 120 34,-1.3 35,-0.2 -3,-0.1 -1,-0.1 0.948 99.1 129.1 54.8 51.1 -1.6 -46.4 20.2 205 226 A S T <5 + 0 0 45 -4,-0.7 2,-0.3 33,-0.6 -63,-0.2 0.740 64.3 17.8-103.0 -35.1 1.7 -45.4 18.7 206 227 A V < - 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0 0 35 -3,-1.7 3,-1.0 1,-0.1 -1,-0.2 -0.419 67.0 -91.4 -80.5 155.1 -15.9 -40.6 19.4 232 253 A A T 3 S+ 0 0 77 1,-0.2 -7,-0.2 -2,-0.1 -4,-0.2 -0.365 107.8 4.6 -59.6 139.5 -14.7 -40.9 15.8 233 254 A N T 3 S+ 0 0 79 1,-0.2 -8,-2.8 -9,-0.1 -7,-1.4 0.834 95.3 164.1 57.9 39.0 -11.1 -39.7 15.4 234 255 A T B < -l 226 0D 19 -3,-1.0 -7,-0.2 -9,-0.2 -1,-0.2 -0.582 48.1-144.3 -92.3 149.7 -10.6 -39.0 19.1 235 256 A I S > S+ 0 0 3 -9,-2.2 10,-1.8 -2,-0.2 3,-1.4 0.648 73.5 108.5 -75.8 -12.3 -7.4 -38.5 21.1 236 257 A V T 3 S- 0 0 35 1,-0.3 -6,-0.3 -8,-0.3 8,-0.2 -0.480 94.3 -4.9 -78.2 123.3 -9.0 -40.4 23.9 237 258 A G T 3 S+ 0 0 25 -2,-0.3 -1,-0.3 -8,-0.1 7,-0.2 0.516 104.9 108.0 77.0 6.9 -7.6 -43.8 24.5 238 259 A D < + 0 0 31 -3,-1.4 -34,-1.3 -35,-0.1 -33,-0.6 0.383 46.3 108.2-103.6 7.4 -5.3 -43.5 21.4 239 260 A A S > S- 0 0 0 4,-2.6 3,-2.6 -4,-0.3 -32,-0.2 -0.367 86.3-101.7 -79.3 161.4 -1.9 -43.0 23.2 240 261 A Q T 3 S+ 0 0 33 -34,-1.9 -33,-0.1 1,-0.3 -1,-0.1 0.769 125.2 43.9 -52.5 -34.3 0.7 -45.7 23.2 241 262 A D T 3 S- 0 0 65 -35,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.213 123.6-101.9 -92.9 13.0 -0.2 -46.7 26.8 242 263 A G S < S+ 0 0 37 -3,-2.6 -2,-0.1 1,-0.2 3,-0.1 0.468 92.0 108.6 69.7 3.7 -4.0 -46.6 26.1 243 264 A G S S- 0 0 23 1,-0.1 -4,-2.6 -6,-0.1 2,-0.3 -0.015 80.5 -63.7 -83.9-159.6 -4.4 -43.2 27.7 244 265 A D - 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