==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 05-JUL-13 4LJS . COMPND 2 MOLECULE: PERIPLASMIC BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VEILLONELLA PARVULA; . AUTHOR K.TAN,G.CHHOR,M.ENDRES,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.7 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 . 2 0.6 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 . 23 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 2 1 2 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 24 A V 0 0 128 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.2 28.6 24.5 38.9 2 25 A E - 0 0 37 1,-0.0 2,-0.9 81,-0.0 81,-0.1 -0.562 360.0-116.7 -86.5 157.9 32.0 23.5 37.5 3 26 A D > - 0 0 94 -2,-0.2 3,-0.9 1,-0.1 -1,-0.0 -0.860 33.1-177.5 -89.4 103.1 34.2 20.8 38.9 4 27 A H T 3 S+ 0 0 140 -2,-0.9 -1,-0.1 1,-0.2 3,-0.1 0.477 70.1 72.2 -83.0 -3.1 37.2 22.9 39.9 5 28 A Q T 3 S+ 0 0 186 1,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.415 94.3 56.6 -95.4 1.8 39.3 20.0 41.1 6 29 A S < + 0 0 74 -3,-0.9 -1,-0.1 2,-0.0 -3,-0.1 -0.969 64.3 177.4-136.5 123.2 40.0 18.7 37.6 7 30 A T - 0 0 106 -2,-0.4 3,-0.1 -3,-0.1 52,-0.1 -0.958 35.8 -97.4-128.3 137.9 41.6 20.8 34.8 8 31 A P - 0 0 35 0, 0.0 2,-0.1 0, 0.0 30,-0.0 -0.179 45.1-102.2 -53.7 141.4 42.5 19.8 31.2 9 32 A V - 0 0 109 1,-0.1 2,-0.5 29,-0.0 0, 0.0 -0.374 38.5-109.0 -61.3 139.3 46.2 18.8 30.6 10 33 A H - 0 0 125 -3,-0.1 2,-0.5 -2,-0.1 -1,-0.1 -0.631 38.4-173.7 -72.9 121.6 48.2 21.6 28.9 11 34 A I - 0 0 48 -2,-0.5 25,-2.9 25,-0.4 2,-0.3 -0.957 11.6-148.3-123.9 115.2 49.0 20.6 25.3 12 35 A K E -A 35 0A 83 -2,-0.5 2,-0.9 23,-0.2 23,-0.3 -0.590 7.9-139.1 -83.2 135.8 51.3 22.8 23.3 13 36 A L E - 0 0 10 21,-2.0 4,-0.1 -2,-0.3 -1,-0.0 -0.828 22.8-156.6 -96.9 100.4 50.8 23.2 19.6 14 37 A Q E S+ 0 0 163 -2,-0.9 20,-0.1 2,-0.1 -2,-0.0 -0.969 83.2 29.7-122.4 115.9 54.3 23.1 18.0 15 38 A P E S- 0 0 108 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.554 112.7-107.5 -77.1 164.3 54.3 24.5 15.4 16 39 A P E - 0 0 73 0, 0.0 2,-0.6 0, 0.0 18,-0.2 -0.186 29.9-122.7 -56.8 148.5 51.6 27.0 16.0 17 40 A V E -A 33 0A 14 16,-2.6 16,-3.2 -4,-0.1 2,-0.5 -0.856 20.4-161.3 -99.9 122.7 48.2 26.4 14.3 18 41 A T E -A 32 0A 55 -2,-0.6 2,-0.4 14,-0.2 14,-0.2 -0.908 11.8-171.5-104.3 124.6 46.9 29.2 12.0 19 42 A I E -A 31 0A 2 12,-3.0 12,-2.3 -2,-0.5 2,-0.5 -0.934 14.7-146.3-119.7 137.9 43.2 29.0 11.2 20 43 A E E +A 30 0A 93 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.904 29.0 157.3-101.1 128.5 41.1 31.0 8.8 21 44 A S E -A 29 0A 1 8,-2.3 8,-2.4 -2,-0.5 2,-0.4 -0.724 29.5-123.6-133.0-176.1 37.5 31.8 9.7 22 45 A F E -A 28 0A 28 109,-0.3 3,-0.1 6,-0.3 -2,-0.0 -0.995 16.6-166.0-138.6 141.0 35.0 34.5 8.6 23 46 A V E S+ 0 0 51 4,-2.2 2,-0.3 -2,-0.4 -1,-0.1 0.756 90.9 1.4 -89.7 -29.8 32.9 37.2 10.3 24 47 A R E > S-A 27 0A 157 3,-0.9 3,-2.7 113,-0.0 -1,-0.3 -0.947 101.4 -68.7-145.2 166.4 30.9 37.6 7.1 25 48 A R T 3 S+ 0 0 144 111,-0.5 108,-0.0 -2,-0.3 -3,-0.0 -0.410 125.8 7.9 -56.6 120.6 30.8 36.0 3.6 26 49 A G T 3 S+ 0 0 65 -2,-0.2 -1,-0.3 1,-0.1 -4,-0.0 0.538 106.4 104.8 82.2 7.3 34.1 37.2 2.0 27 50 A E E < -A 24 0A 99 -3,-2.7 -4,-2.2 2,-0.0 -3,-0.9 -0.768 51.6-176.9-122.5 86.7 35.4 38.7 5.2 28 51 A P E -A 22 0A 75 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.428 10.4-170.7 -84.4 153.7 38.1 36.5 6.7 29 52 A F E -A 21 0A 34 -8,-2.4 -8,-2.3 -2,-0.1 2,-0.4 -0.977 16.4-133.9-137.1 154.3 40.1 36.8 9.9 30 53 A E E -A 20 0A 134 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.866 16.7-171.4-113.2 141.6 43.1 34.8 11.0 31 54 A S E -A 19 0A 3 -12,-2.3 -12,-3.0 -2,-0.4 2,-0.5 -0.993 9.6-151.3-132.0 138.6 43.7 33.3 14.4 32 55 A T E -A 18 0A 72 -2,-0.4 2,-0.5 -14,-0.2 -14,-0.2 -0.939 6.4-161.6-114.3 130.0 46.9 31.6 15.7 33 56 A Y E +A 17 0A 5 -16,-3.2 -16,-2.6 -2,-0.5 3,-0.1 -0.940 16.2 174.0-112.9 120.2 46.8 28.9 18.4 34 57 A T E S+ 0 0 95 -2,-0.5 -21,-2.0 -18,-0.2 2,-0.3 0.492 74.8 19.8 -99.1 -6.9 49.9 28.1 20.4 35 58 A A E S-A 12 0A 24 -23,-0.3 -23,-0.2 -18,-0.1 -1,-0.2 -0.986 92.2 -88.3-156.3 154.0 48.2 25.6 22.7 36 59 A V - 0 0 2 -25,-2.9 -25,-0.4 -2,-0.3 122,-0.1 -0.496 57.7-103.9 -63.8 128.1 45.0 23.5 22.8 37 60 A P - 0 0 5 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.210 31.4-167.1 -52.9 144.7 42.2 25.6 24.3 38 61 A E S S+ 0 0 52 1,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.640 75.4 39.9-107.6 -21.0 41.4 24.7 27.9 39 62 A R S S- 0 0 72 21,-0.1 63,-2.7 2,-0.0 64,-1.4 -0.837 73.1-176.4-137.8 94.5 38.1 26.6 28.4 40 63 A V E -bc 60 103B 0 19,-2.6 21,-2.5 -2,-0.4 22,-1.8 -0.768 18.6-159.4-102.9 132.5 35.7 26.5 25.5 41 64 A V E -bc 62 104B 3 62,-2.5 64,-2.7 -2,-0.4 2,-0.5 -0.964 21.4-168.7-102.7 119.9 32.4 28.2 25.2 42 65 A A E -bc 63 105B 0 20,-3.4 22,-2.0 -2,-0.6 2,-0.5 -0.952 7.2-159.4-120.6 119.1 30.5 26.4 22.5 43 66 A X E -b 64 0B 4 62,-3.1 4,-0.5 -2,-0.5 22,-0.2 -0.862 54.7 -1.2-103.4 128.8 27.3 27.7 20.9 44 67 A W S >> S- 0 0 68 20,-2.8 4,-1.9 -2,-0.5 3,-0.8 0.340 91.1 -69.8 76.0 156.8 24.8 25.4 19.1 45 68 A Q H 3> S+ 0 0 18 20,-0.3 4,-2.8 1,-0.3 5,-0.4 0.800 125.4 52.7 -49.3 -49.6 24.8 21.7 18.3 46 69 A N H 3> S+ 0 0 3 241,-0.4 4,-1.5 1,-0.2 244,-0.4 0.888 111.2 48.1 -57.7 -40.6 27.6 21.5 15.7 47 70 A S H <> S+ 0 0 0 -3,-0.8 4,-1.4 -4,-0.5 -2,-0.2 0.950 117.9 41.1 -63.0 -48.0 30.0 23.3 18.1 48 71 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.963 119.1 39.7 -68.2 -57.1 29.2 21.1 21.0 49 72 A E H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.788 112.0 56.4 -68.8 -30.8 29.0 17.6 19.4 50 73 A T H X S+ 0 0 1 -4,-1.5 4,-1.3 -5,-0.4 -1,-0.2 0.932 109.4 45.6 -67.3 -44.2 31.9 18.1 17.0 51 74 A I H <>S+ 0 0 0 -4,-1.4 5,-2.0 -5,-0.3 4,-0.4 0.909 114.3 49.8 -65.4 -39.1 34.3 18.9 19.9 52 75 A I H ><5S+ 0 0 11 -4,-1.9 3,-1.6 1,-0.2 5,-0.4 0.933 107.8 53.7 -60.8 -44.1 32.9 16.0 21.8 53 76 A A H 3<5S+ 0 0 11 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.759 103.7 56.6 -63.7 -26.0 33.4 13.7 18.7 54 77 A L T 3<5S- 0 0 1 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.557 121.9-107.7 -83.1 -9.8 37.0 14.7 18.6 55 78 A G T < 5S+ 0 0 44 -3,-1.6 3,-0.3 -4,-0.4 -3,-0.2 0.499 92.6 106.3 101.6 7.8 37.5 13.5 22.2 56 79 A E > < + 0 0 18 -5,-2.0 3,-1.8 1,-0.2 4,-0.3 0.017 27.6 125.0-114.4 29.5 37.8 16.9 23.8 57 80 A G G > + 0 0 11 -5,-0.4 3,-1.6 1,-0.3 -1,-0.2 0.798 67.9 66.8 -54.5 -33.9 34.4 17.2 25.6 58 81 A D G 3 S+ 0 0 115 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.725 92.4 61.6 -62.2 -22.4 36.2 17.8 28.9 59 82 A R G < S+ 0 0 8 -3,-1.8 -19,-2.6 -8,-0.1 2,-0.6 0.615 81.3 100.7 -82.6 -10.6 37.5 21.1 27.6 60 83 A I E < +b 40 0B 5 -3,-1.6 -19,-0.2 -4,-0.3 3,-0.2 -0.635 40.3 173.2 -79.3 119.1 34.0 22.5 27.1 61 84 A V E S+ 0 0 9 -21,-2.5 24,-2.1 -2,-0.6 2,-0.4 0.861 76.1 22.7 -87.4 -43.8 32.9 24.9 29.9 62 85 A A E +bd 41 85B 0 -22,-1.8 -20,-3.4 22,-0.2 2,-0.4 -0.990 56.8 174.2-128.7 130.4 29.7 25.9 28.3 63 86 A G E +b 42 0B 0 22,-2.8 2,-0.3 -2,-0.4 3,-0.3 -0.834 24.7 174.7-131.9 91.7 27.7 24.0 25.6 64 87 A X E +b 43 0B 0 -22,-2.0 -20,-2.8 -2,-0.4 23,-0.2 -0.762 41.4 46.8-111.3 145.1 24.6 25.9 25.1 65 88 A G + 0 0 15 21,-0.9 -20,-0.3 -2,-0.3 -1,-0.2 0.375 67.6 113.7 114.4 -4.7 21.7 25.6 22.7 66 89 A I - 0 0 11 -3,-0.3 -1,-0.3 20,-0.2 3,-0.1 -0.893 55.6-149.1 -95.9 123.1 20.7 21.9 22.7 67 90 A P S S- 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.733 72.5 -4.5 -64.0 -25.7 17.2 21.5 24.2 68 91 A D > - 0 0 63 1,-0.1 3,-1.7 -3,-0.0 4,-0.3 -0.977 65.5-110.4-166.1 153.3 17.8 18.1 25.6 69 92 A R G > S+ 0 0 97 -2,-0.3 3,-1.8 1,-0.3 11,-0.1 0.764 109.0 71.8 -59.4 -27.4 20.4 15.2 25.9 70 93 A K G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -3,-0.0 246,-0.1 0.690 90.0 60.5 -64.7 -18.1 18.2 13.0 23.7 71 94 A Y G < S+ 0 0 38 -3,-1.7 2,-0.3 2,-0.1 -1,-0.3 0.582 90.8 85.9 -84.0 -12.5 19.0 15.2 20.7 72 95 A V S < S- 0 0 1 -3,-1.8 5,-0.1 -4,-0.3 -27,-0.0 -0.683 98.7 -93.4 -87.3 142.7 22.7 14.3 21.1 73 96 A R >> - 0 0 47 -2,-0.3 3,-2.4 1,-0.1 4,-0.7 -0.315 38.6-116.5 -52.7 136.2 24.0 11.1 19.5 74 97 A P G >4 S+ 0 0 86 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.841 114.0 52.9 -45.4 -46.1 23.8 8.2 22.1 75 98 A E G 34 S+ 0 0 116 1,-0.3 4,-0.2 2,-0.1 -2,-0.1 0.594 111.6 46.6 -70.7 -12.5 27.6 7.8 22.2 76 99 A Y G <> S+ 0 0 32 -3,-2.4 4,-2.1 2,-0.1 -1,-0.3 0.418 87.7 90.3-105.3 -2.0 28.2 11.5 22.9 77 100 A R H S+ 0 0 162 -4,-0.5 4,-0.9 1,-0.2 -1,-0.2 0.924 112.3 44.0 -59.7 -46.4 27.8 11.0 28.7 79 102 A A H >> S+ 0 0 36 -4,-0.2 3,-0.7 1,-0.2 4,-0.6 0.902 111.4 55.5 -63.8 -42.6 30.3 13.7 27.7 80 103 A Y H >< S+ 0 0 8 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.918 102.1 56.9 -53.5 -47.0 27.4 16.0 27.0 81 104 A D H 3< S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.762 100.1 59.5 -58.5 -28.3 26.0 15.5 30.5 82 105 A K H << S+ 0 0 129 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.658 74.1 114.6 -78.0 -16.5 29.3 16.6 32.1 83 106 A I << - 0 0 4 -3,-1.5 -22,-0.1 -4,-0.6 -21,-0.1 -0.411 60.7-147.3 -61.2 120.1 29.3 20.1 30.5 84 107 A P S S+ 0 0 43 0, 0.0 2,-0.6 0, 0.0 -22,-0.2 0.897 80.5 39.5 -55.6 -50.9 28.9 22.6 33.4 85 108 A Y B +d 62 0B 18 -24,-2.1 -22,-2.8 1,-0.1 -2,-0.0 -0.921 57.6 139.8-113.5 119.8 26.9 25.3 31.6 86 109 A K + 0 0 62 -2,-0.6 -21,-0.9 -24,-0.2 -20,-0.2 0.610 38.6 104.4-122.2 -29.0 24.1 24.3 29.2 87 110 A D > - 0 0 86 -23,-0.2 3,-2.3 1,-0.1 4,-0.2 -0.413 66.5-135.7 -71.3 133.3 21.2 26.7 29.8 88 111 A L G > S+ 0 0 90 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.622 98.3 79.0 -61.6 -15.2 20.6 29.5 27.2 89 112 A K G 3 S+ 0 0 126 1,-0.3 -1,-0.3 6,-0.0 6,-0.1 0.621 90.9 56.0 -69.2 -8.3 20.1 32.0 30.1 90 113 A Y G < S+ 0 0 63 -3,-2.3 2,-2.1 1,-0.1 -1,-0.3 0.476 78.6 99.5 -95.1 -5.1 23.9 31.9 30.2 91 114 A A < + 0 0 11 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.1 -0.433 61.4 99.4 -83.7 64.9 24.2 32.9 26.6 92 115 A N S > S- 0 0 58 -2,-2.1 4,-2.2 1,-0.1 5,-0.2 -0.956 84.2-107.8-144.3 161.8 24.9 36.6 27.3 93 116 A L H > S+ 0 0 50 22,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.878 113.8 53.9 -62.1 -40.2 28.1 38.6 27.4 94 117 A E H > S+ 0 0 165 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 111.8 43.6 -64.7 -44.3 28.1 39.1 31.2 95 118 A S H > S+ 0 0 24 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.902 114.2 50.2 -66.0 -43.0 27.9 35.3 31.9 96 119 A V H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.873 106.6 55.2 -66.9 -35.7 30.5 34.4 29.2 97 120 A L H >< S+ 0 0 48 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.926 105.7 53.3 -57.0 -45.3 32.9 37.0 30.6 98 121 A X H 3< S+ 0 0 103 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.813 104.4 55.8 -59.7 -32.8 32.7 35.3 34.0 99 122 A X H 3< S- 0 0 1 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.690 96.0-146.8 -74.4 -22.4 33.5 31.9 32.4 100 123 A K << - 0 0 154 -3,-1.0 -3,-0.1 -4,-0.8 -2,-0.1 0.960 19.8-163.8 52.9 65.1 36.8 33.3 31.0 101 124 A P - 0 0 11 0, 0.0 -61,-0.2 0, 0.0 3,-0.1 -0.373 23.5-161.4 -72.9 157.3 36.9 31.2 27.8 102 125 A D S S+ 0 0 48 -63,-2.7 26,-2.3 1,-0.3 2,-0.3 0.451 84.8 29.6-110.8 -9.5 40.0 30.9 25.8 103 126 A L E -ce 40 128B 0 -64,-1.4 -62,-2.5 24,-0.2 2,-0.5 -0.966 64.6-167.6-145.1 131.9 38.1 29.7 22.7 104 127 A L E -ce 41 129B 1 24,-2.3 26,-2.7 -2,-0.3 2,-0.5 -0.985 8.3-168.2-115.8 128.8 34.5 30.6 21.6 105 128 A V E +ce 42 130B 2 -64,-2.7 -62,-3.1 -2,-0.5 2,-0.2 -0.967 32.0 105.1-118.5 124.8 33.0 28.5 18.9 106 129 A G E - e 0 131B 0 24,-2.3 26,-2.6 -2,-0.5 2,-0.2 -0.782 58.3 -57.4-163.0-151.6 29.7 29.6 17.2 107 130 A W >> - 0 0 56 -2,-0.2 3,-1.2 24,-0.2 4,-0.7 -0.564 53.0 -94.7-108.5 171.6 27.9 31.1 14.3 108 131 A K G >4 S+ 0 0 71 24,-0.4 3,-0.8 1,-0.3 28,-0.1 0.896 125.5 50.1 -51.0 -44.9 28.1 34.4 12.4 109 132 A S G 34 S+ 0 0 75 26,-0.2 3,-0.5 1,-0.2 -1,-0.3 0.638 97.4 70.6 -72.4 -15.6 25.3 35.9 14.6 110 133 A T G <4 S+ 0 0 4 -3,-1.2 6,-2.7 1,-0.2 2,-0.5 0.831 93.1 56.3 -69.5 -30.9 27.0 34.8 17.9 111 134 A F S << S+ 0 0 9 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 -0.431 80.2 95.7-113.9 58.1 29.9 37.3 17.7 112 135 A T S > >S- 0 0 49 -2,-0.5 5,-2.5 -3,-0.5 3,-2.1 -0.830 88.0 -96.6-128.3 173.6 28.5 40.8 17.4 113 136 A N T 3 5S+ 0 0 124 1,-0.3 -20,-0.1 -2,-0.3 -2,-0.0 0.571 122.6 65.7 -70.9 -7.9 27.8 43.4 20.1 114 137 A K T 3 5S+ 0 0 187 -5,-0.1 -1,-0.3 -21,-0.0 -21,-0.1 0.587 122.0 5.7 -80.4 -13.1 24.2 42.2 20.1 115 138 A X T < 5S- 0 0 72 -3,-2.1 -22,-0.4 -23,-0.1 -4,-0.2 0.100 130.4 -17.6-135.7-116.2 25.5 38.9 21.5 116 139 A L T 5S- 0 0 1 -6,-2.7 -5,-0.2 1,-0.2 -3,-0.2 0.243 92.2-113.3 -95.4 13.1 28.9 37.5 22.6 117 140 A Q < - 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0 0 33 -2,-0.4 4,-0.9 1,-0.1 3,-0.2 -0.812 43.0-118.5-129.2 163.7 28.0 22.4 1.0 144 167 A X H > S+ 0 0 6 -2,-0.3 4,-2.1 1,-0.2 3,-0.5 0.865 112.7 65.5 -63.1 -37.9 29.2 19.2 2.5 145 168 A D H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.883 95.0 55.5 -51.3 -45.9 32.7 20.6 1.9 146 169 A X H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 108.2 49.5 -57.8 -37.8 32.2 23.4 4.4 147 170 A E H X S+ 0 0 1 -4,-0.9 4,-2.4 -3,-0.5 -1,-0.2 0.895 109.1 51.8 -68.7 -40.7 31.3 20.9 7.1 148 171 A Y H X S+ 0 0 13 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.930 111.6 46.0 -58.7 -47.6 34.4 18.8 6.3 149 172 A K H X S+ 0 0 55 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.883 109.4 56.5 -64.0 -38.2 36.7 21.9 6.7 150 173 A Y H X S+ 0 0 3 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.947 110.4 43.5 -56.9 -50.4 34.8 22.8 9.9 151 174 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 114.5 50.7 -62.5 -41.6 35.6 19.4 11.4 152 175 A R H X S+ 0 0 91 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.889 109.1 50.9 -65.6 -41.1 39.2 19.6 10.1 153 176 A D H X S+ 0 0 14 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.928 111.3 46.8 -62.6 -47.4 39.7 23.1 11.6 154 177 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 6,-0.2 0.913 109.1 57.2 -62.8 -39.3 38.5 22.1 15.0 155 178 A G H <>S+ 0 0 0 -4,-2.4 5,-3.3 -5,-0.2 6,-0.2 0.904 108.6 45.3 -54.1 -44.9 40.7 19.0 14.7 156 179 A R H ><5S+ 0 0 95 -4,-2.1 3,-1.1 3,-0.2 -2,-0.2 0.907 111.5 52.5 -66.5 -42.2 43.8 21.3 14.2 157 180 A I H 3<5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.902 117.5 37.3 -60.7 -40.1 42.7 23.5 17.1 158 181 A F T 3<5S- 0 0 1 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.236 110.4-115.1 -98.3 14.5 42.4 20.6 19.5 159 182 A N T < 5S+ 0 0 85 -3,-1.1 -3,-0.2 -4,-0.2 3,-0.1 0.887 80.6 124.8 47.8 44.8 45.4 18.6 18.2 160 183 A R >< + 0 0 69 -5,-3.3 4,-2.2 -6,-0.2 -4,-0.2 -0.382 17.3 136.7-124.0 51.7 42.9 15.9 17.1 161 184 A N H > S+ 0 0 73 -6,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 71.1 51.1 -68.7 -42.4 43.9 15.7 13.4 162 185 A X H > S+ 0 0 143 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 112.5 46.8 -60.6 -44.6 43.9 11.9 13.3 163 186 A E H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.901 112.3 50.7 -65.3 -40.6 40.4 11.8 14.8 164 187 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.928 111.0 48.0 -62.3 -45.3 39.1 14.5 12.4 165 188 A E H X S+ 0 0 83 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.867 110.1 51.5 -66.2 -38.2 40.4 12.7 9.3 166 189 A R H X S+ 0 0 119 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.933 112.1 46.9 -63.4 -45.3 38.9 9.4 10.3 167 190 A L H X S+ 0 0 8 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.918 115.1 45.7 -62.4 -45.2 35.5 11.0 10.9 168 191 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.923 112.0 51.4 -62.7 -46.1 35.7 12.9 7.6 169 192 A Q H X S+ 0 0 99 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.860 104.7 56.9 -62.1 -37.8 36.9 9.8 5.7 170 193 A E H X S+ 0 0 87 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.933 112.1 42.5 -57.6 -46.7 34.1 7.7 7.0 171 194 A X H X S+ 0 0 1 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.925 115.8 47.6 -66.8 -46.6 31.6 10.2 5.6 172 195 A Q H X S+ 0 0 83 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.896 112.1 49.3 -64.1 -42.0 33.4 10.6 2.3 173 196 A Q H X S+ 0 0 107 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.846 109.7 53.6 -65.4 -34.0 33.8 6.9 1.7 174 197 A S H X S+ 0 0 26 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.933 109.9 45.5 -66.8 -48.9 30.1 6.3 2.5 175 198 A V H X S+ 0 0 19 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.932 115.9 46.9 -57.2 -47.8 29.0 8.9 -0.1 176 199 A A H X S+ 0 0 59 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.850 110.1 52.8 -68.8 -36.2 31.4 7.5 -2.7 177 200 A Y H X S+ 0 0 112 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.955 109.4 49.7 -60.8 -51.0 30.4 3.9 -2.0 178 201 A T H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.922 112.9 45.5 -54.2 -51.6 26.7 4.7 -2.5 179 202 A V H >< S+ 0 0 34 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.912 113.7 49.9 -60.8 -42.5 27.3 6.5 -5.8 180 203 A A H >< S+ 0 0 66 -4,-2.2 3,-0.7 1,-0.2 4,-0.2 0.879 108.3 51.2 -66.9 -38.4 29.6 3.7 -7.1 181 204 A Q H 3< S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.658 119.5 36.2 -73.8 -14.3 27.2 0.8 -6.3 182 205 A T T X< S+ 0 0 8 -4,-0.8 3,-1.9 -3,-0.6 -1,-0.2 0.255 78.1 109.9-123.1 9.6 24.2 2.5 -8.1 183 206 A A T < S+ 0 0 71 -3,-0.7 -2,-0.1 -4,-0.5 -1,-0.1 0.752 78.0 57.1 -64.1 -24.2 25.8 4.2 -11.1 184 207 A H T 3 S+ 0 0 152 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.530 98.2 80.7 -81.9 -6.9 24.2 1.8 -13.5 185 208 A E S < S- 0 0 81 -3,-1.9 -3,-0.1 1,-0.1 0, 0.0 -0.564 94.5 -91.0 -99.4 161.8 20.7 2.6 -12.2 186 209 A K - 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