==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 19-FEB-13 4JB2 . COMPND 2 MOLECULE: BRANCHED-CHAIN AMINO ACID TRANSPORT SYSTEM SUBSTR . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR R.SALMON . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 21 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 1 0 2 0 0 0 3 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 1 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 PARALLEL BRIDGES PER LADDER . 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 29 A N 0 0 125 0, 0.0 2,-0.1 0, 0.0 302,-0.0 0.000 360.0 360.0 360.0 166.7 6.5 3.7 17.9 2 30 A E - 0 0 33 34,-0.1 2,-0.5 36,-0.1 36,-0.2 -0.380 360.0-136.2 -85.1 149.8 5.3 4.6 14.4 3 31 A I E -a 38 0A 2 34,-2.4 36,-3.2 -2,-0.1 2,-0.5 -0.912 31.1-142.2 -96.9 127.5 5.5 2.7 11.1 4 32 A T E -a 39 0A 17 -2,-0.5 62,-2.2 60,-0.3 63,-1.1 -0.834 20.9-178.5-102.8 131.5 6.6 5.3 8.5 5 33 A I E -ab 40 67A 1 34,-2.9 36,-2.7 -2,-0.5 2,-0.5 -0.998 9.8-159.2-131.0 125.3 5.2 5.3 4.9 6 34 A G E -ab 41 68A 0 61,-2.2 63,-2.4 -2,-0.4 2,-0.5 -0.944 9.5-171.5-110.9 128.1 6.4 7.8 2.3 7 35 A I E -ab 42 69A 3 34,-2.9 36,-2.9 -2,-0.5 2,-0.6 -0.978 8.2-170.2-122.5 127.6 4.1 8.4 -0.7 8 36 A T E +ab 43 70A 1 61,-2.8 63,-0.5 -2,-0.5 2,-0.3 -0.979 23.4 151.7-118.0 119.8 5.0 10.4 -3.6 9 37 A V E -a 44 0A 0 34,-1.5 36,-1.3 -2,-0.6 2,-0.7 -0.901 49.0 -98.7-138.0 167.6 2.2 11.1 -6.1 10 38 A T + 0 0 0 -2,-0.3 9,-0.4 5,-0.3 10,-0.2 -0.803 43.4 158.8 -94.3 115.0 1.3 13.9 -8.5 11 39 A T + 0 0 34 -2,-0.7 2,-0.3 8,-0.2 -1,-0.2 0.408 60.6 60.0-111.8 3.4 -1.2 16.3 -7.1 12 40 A T S S+ 0 0 77 3,-0.0 3,-0.3 8,-0.0 33,-0.1 -0.912 91.9 17.7-126.0 155.5 -0.4 19.2 -9.4 13 41 A G S > S- 0 0 54 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 -0.126 110.4 -47.7 74.7-175.6 -0.6 19.6 -13.2 14 42 A P T > S+ 0 0 92 0, 0.0 3,-1.3 0, 0.0 182,-0.5 0.741 130.2 65.5 -75.8 -17.7 -2.6 17.3 -15.4 15 43 A A T >> S+ 0 0 20 -3,-0.3 4,-1.9 1,-0.2 3,-1.7 0.501 78.5 87.6 -74.5 -1.3 -1.4 14.0 -14.0 16 44 A A H <> + 0 0 9 -3,-1.9 4,-2.5 1,-0.3 -1,-0.2 0.699 69.1 77.4 -68.7 -20.1 -3.2 15.1 -10.7 17 45 A A H <4 S+ 0 0 14 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.774 106.9 31.3 -54.0 -30.5 -6.2 13.4 -12.3 18 46 A L H <> S+ 0 0 12 -3,-1.7 4,-1.1 -8,-0.1 -2,-0.2 0.867 124.8 42.5 -95.3 -46.6 -4.4 10.1 -11.2 19 47 A G H X S+ 0 0 0 -4,-1.9 4,-3.0 -9,-0.4 5,-0.2 0.798 103.2 64.1 -74.1 -33.6 -2.6 11.2 -8.0 20 48 A I H X S+ 0 0 61 -4,-2.5 4,-3.7 -10,-0.2 -1,-0.2 0.932 108.0 41.9 -59.0 -48.5 -5.4 13.4 -6.4 21 49 A P H > S+ 0 0 13 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.862 112.8 53.7 -63.8 -35.5 -7.7 10.3 -6.0 22 50 A E H < S+ 0 0 2 -4,-1.1 4,-0.5 2,-0.2 -2,-0.2 0.948 115.4 41.8 -61.7 -43.9 -4.8 8.1 -4.8 23 51 A R H >< S+ 0 0 92 -4,-3.0 3,-1.5 1,-0.2 4,-0.3 0.953 113.0 52.2 -67.8 -49.5 -4.1 10.9 -2.3 24 52 A N H >< S+ 0 0 20 -4,-3.7 3,-1.5 1,-0.2 -1,-0.2 0.860 101.3 62.6 -50.8 -35.1 -7.9 11.3 -1.4 25 53 A A G >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.689 81.4 80.7 -73.9 -15.0 -8.2 7.6 -0.8 26 54 A L G X S+ 0 0 28 -3,-1.5 3,-1.2 -4,-0.5 -1,-0.3 0.762 77.4 72.6 -60.8 -24.1 -5.8 7.7 2.1 27 55 A E G < S+ 0 0 90 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.800 101.7 43.1 -54.5 -28.3 -8.6 9.0 4.3 28 56 A F G < S+ 0 0 43 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.221 93.1 94.0-109.4 11.2 -10.1 5.5 4.2 29 57 A V S < S- 0 0 12 -3,-1.2 254,-0.1 1,-0.2 255,-0.1 -0.520 88.6 -62.5-102.1 176.9 -7.1 3.1 4.7 30 58 A A - 0 0 24 -2,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.156 36.0-159.1 -60.4 149.6 -5.8 1.6 8.0 31 59 A K S S+ 0 0 133 1,-0.3 7,-2.6 -3,-0.1 2,-0.3 0.589 74.3 10.3-104.0 -20.7 -4.5 4.1 10.6 32 60 A E E -E 37 0B 99 5,-0.3 -1,-0.3 -30,-0.1 2,-0.3 -0.964 61.7-152.8-151.7 156.6 -2.4 1.7 12.6 33 61 A I E > S-E 36 0B 9 3,-2.3 3,-2.7 -2,-0.3 257,-0.0 -0.994 80.2 -4.4-134.3 138.8 -1.1 -1.8 12.2 34 62 A G T 3 S- 0 0 53 -2,-0.3 -1,-0.1 1,-0.3 256,-0.0 0.843 131.3 -57.3 49.9 37.7 -0.2 -4.3 15.0 35 63 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 -3,-0.0 0, 0.0 0.496 112.8 121.9 72.9 3.5 -0.9 -1.4 17.4 36 64 A H E < -E 33 0B 40 -3,-2.7 -3,-2.3 -34,-0.0 -1,-0.2 -0.888 64.2-123.6 -96.5 127.4 1.6 0.9 15.8 37 65 A P E -E 32 0B 73 0, 0.0 -34,-2.4 0, 0.0 2,-0.5 -0.256 24.0-121.1 -59.0 146.3 0.3 4.2 14.4 38 66 A L E -a 3 0A 25 -7,-2.6 2,-0.7 -36,-0.2 -34,-0.2 -0.825 17.3-160.2 -90.5 124.1 0.9 4.9 10.7 39 67 A K E -a 4 0A 122 -36,-3.2 -34,-2.9 -2,-0.5 2,-0.7 -0.929 16.1-171.6-103.9 110.9 2.9 8.0 9.9 40 68 A V E -a 5 0A 55 -2,-0.7 2,-0.5 -36,-0.2 -34,-0.2 -0.910 7.2-170.2-114.8 114.9 2.0 8.7 6.3 41 69 A I E -a 6 0A 42 -36,-2.7 -34,-2.9 -2,-0.7 2,-0.5 -0.915 5.1-169.9-107.4 126.8 4.0 11.4 4.5 42 70 A V E -a 7 0A 50 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.960 4.3-177.6-120.4 128.7 2.7 12.4 1.2 43 71 A L E -a 8 0A 66 -36,-2.9 -34,-1.5 -2,-0.5 2,-0.1 -0.989 25.6-124.0-129.3 137.2 4.6 14.7 -1.2 44 72 A D E -a 9 0A 58 -2,-0.4 -34,-0.2 -36,-0.2 11,-0.0 -0.490 21.1-178.5 -65.8 140.4 3.6 16.1 -4.6 45 73 A D > - 0 0 4 -36,-1.3 3,-2.8 -2,-0.1 6,-0.3 0.236 36.4-130.5-118.3 4.9 6.1 15.2 -7.4 46 74 A G T 3 - 0 0 38 -37,-0.4 -31,-0.1 1,-0.3 -36,-0.1 0.676 62.5 -71.9 55.8 16.3 4.3 17.1 -10.1 47 75 A G T 3 S+ 0 0 18 1,-0.2 -1,-0.3 -38,-0.1 -37,-0.1 0.555 100.9 137.0 81.0 5.3 4.6 14.0 -12.3 48 76 A D <> - 0 0 75 -3,-2.8 4,-2.5 1,-0.1 5,-0.2 -0.737 54.0-147.2-100.3 124.1 8.3 14.7 -12.7 49 77 A P H > S+ 0 0 52 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.903 101.7 54.2 -55.1 -41.5 10.9 11.9 -12.4 50 78 A T H > S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.930 112.1 43.8 -54.5 -50.2 13.5 14.4 -10.8 51 79 A A H > S+ 0 0 31 -6,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.865 112.4 51.6 -63.5 -38.7 11.0 15.4 -8.1 52 80 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -7,-0.3 -1,-0.2 0.893 109.6 51.2 -64.1 -39.2 9.9 11.8 -7.4 53 81 A T H X S+ 0 0 45 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.939 110.9 47.4 -63.4 -49.5 13.5 10.8 -7.0 54 82 A T H X S+ 0 0 42 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.917 112.4 48.3 -58.0 -45.3 14.1 13.6 -4.5 55 83 A N H X S+ 0 0 15 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.913 113.2 49.3 -60.1 -45.5 11.0 12.8 -2.5 56 84 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.899 109.5 50.5 -62.9 -40.2 12.0 9.1 -2.4 57 85 A R H X S+ 0 0 144 -4,-2.5 4,-2.1 2,-0.2 5,-0.4 0.883 112.0 48.5 -64.9 -40.1 15.6 9.8 -1.3 58 86 A R H X>S+ 0 0 130 -4,-2.0 4,-2.2 -5,-0.2 5,-2.1 0.935 112.3 48.1 -63.0 -50.0 14.2 12.0 1.5 59 87 A F H <5S+ 0 0 2 -4,-2.8 6,-2.7 3,-0.2 -2,-0.2 0.897 117.4 41.8 -52.5 -46.1 11.7 9.3 2.6 60 88 A V H <5S+ 0 0 7 -4,-2.3 -1,-0.2 4,-0.2 -2,-0.2 0.846 127.4 26.1 -78.0 -38.3 14.3 6.6 2.6 61 89 A T H <5S+ 0 0 87 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.833 131.3 28.8-100.7 -36.1 17.3 8.3 4.1 62 90 A E T <5S+ 0 0 140 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.875 129.1 33.6 -99.5 -44.1 15.8 11.1 6.3 63 91 A S S S- 0 0 9 22,-0.1 4,-1.5 1,-0.1 22,-0.1 -0.881 90.3-101.4-134.7 161.2 2.4 7.8 -13.8 74 102 A T H > S+ 0 0 3 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.900 108.6 51.4 -57.0 -52.5 5.1 5.5 -15.2 75 103 A P H > S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.943 113.9 43.1 -61.5 -47.3 8.3 7.6 -15.5 76 104 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.852 112.5 57.6 -60.7 -26.0 8.3 9.0 -12.0 77 105 A T H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -3,-0.1 0.844 103.4 50.4 -71.0 -37.9 7.4 5.4 -10.9 78 106 A V H X S+ 0 0 23 -4,-2.2 4,-2.6 -3,-0.3 -1,-0.2 0.934 110.3 52.3 -58.8 -45.0 10.5 4.0 -12.5 79 107 A A H X S+ 0 0 11 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.929 110.0 45.8 -57.7 -52.1 12.4 6.6 -10.7 80 108 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.909 111.4 54.0 -60.7 -43.2 11.0 5.8 -7.3 81 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.921 106.8 51.2 -56.5 -46.9 11.6 2.1 -8.0 82 110 A N H X S+ 0 0 69 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.928 111.7 46.9 -57.8 -45.2 15.3 2.8 -8.8 83 111 A V H X S+ 0 0 13 -4,-2.1 4,-3.0 1,-0.2 3,-0.5 0.957 113.2 50.3 -59.3 -47.4 15.7 4.7 -5.4 84 112 A A H X>S+ 0 0 0 -4,-3.0 5,-2.3 1,-0.2 4,-1.3 0.840 108.8 49.3 -61.4 -39.8 13.9 1.9 -3.6 85 113 A N H <5S+ 0 0 27 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.753 116.3 44.0 -76.1 -18.8 16.0 -0.9 -5.1 86 114 A E H <5S+ 0 0 159 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.863 117.5 41.8 -87.5 -40.9 19.2 1.0 -4.2 87 115 A A H <5S- 0 0 26 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.675 110.1-121.7 -79.1 -19.3 18.2 2.1 -0.7 88 116 A Q T <5 + 0 0 88 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.931 60.0 145.2 78.0 50.4 16.7 -1.4 -0.0 89 117 A V < - 0 0 0 -5,-2.3 -1,-0.2 -6,-0.1 -22,-0.1 -0.975 55.8-107.1-125.2 127.7 13.2 -0.2 0.8 90 118 A P - 0 0 2 0, 0.0 -22,-3.0 0, 0.0 2,-0.4 -0.240 41.0-164.9 -53.7 132.8 9.9 -1.9 0.0 91 119 A H E -cd 68 107A 2 15,-2.7 17,-3.0 -24,-0.2 2,-0.7 -0.989 17.5-163.5-130.4 121.8 8.1 -0.1 -2.8 92 120 A I E -cd 69 108A 3 -24,-2.3 -22,-1.7 -2,-0.4 2,-0.3 -0.932 21.0-145.0-103.0 108.5 4.5 -0.3 -3.9 93 121 A A E -cd 70 109A 0 15,-3.5 17,-2.2 -2,-0.7 -22,-0.2 -0.575 10.9-163.0 -69.8 135.4 4.1 1.2 -7.4 94 122 A L S S+ 0 0 2 -24,-0.5 -23,-0.2 -23,-0.4 -1,-0.1 0.256 76.3 43.9-102.8 10.4 0.9 3.0 -8.1 95 123 A A S S- 0 0 3 -25,-0.4 -22,-0.1 -22,-0.1 15,-0.1 -0.982 98.7 -87.8-144.8 154.9 1.4 3.0 -11.9 96 124 A P + 0 0 13 0, 0.0 -19,-0.1 0, 0.0 -18,-0.1 -0.260 49.5 176.0 -57.7 152.0 2.5 0.3 -14.3 97 125 A L - 0 0 1 -20,-0.1 2,-0.4 -4,-0.1 -4,-0.0 -0.985 39.3 -99.2-148.0 154.1 6.2 0.0 -14.8 98 126 A P - 0 0 40 0, 0.0 2,-0.9 0, 0.0 44,-0.0 -0.581 39.2-140.6 -66.2 123.0 8.6 -2.2 -16.7 99 127 A I + 0 0 52 -2,-0.4 236,-0.0 4,-0.0 -21,-0.0 -0.794 27.6 175.1 -86.3 106.1 10.0 -4.6 -14.1 100 128 A T >> - 0 0 46 -2,-0.9 3,-2.4 1,-0.1 4,-1.6 -0.664 49.7-100.5 -98.8 165.3 13.7 -5.2 -14.8 101 129 A P H 3> S+ 0 0 116 0, 0.0 4,-0.6 0, 0.0 3,-0.2 0.883 124.9 62.0 -51.8 -33.5 16.0 -7.3 -12.5 102 130 A E H 34 S+ 0 0 131 1,-0.2 4,-0.2 2,-0.1 -3,-0.0 0.700 114.6 31.9 -59.3 -21.1 17.2 -4.0 -11.1 103 131 A R H <> S+ 0 0 37 -3,-2.4 4,-1.4 2,-0.1 3,-0.3 0.628 98.9 82.2-114.2 -17.8 13.7 -3.2 -9.9 104 132 A A H < S+ 0 0 18 -4,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.645 82.1 59.5 -71.6 -29.9 12.2 -6.7 -9.1 105 133 A K T < S+ 0 0 96 -4,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.921 119.1 20.3 -69.3 -46.9 13.6 -7.2 -5.6 106 134 A W T 4 S+ 0 0 5 -3,-0.3 -15,-2.7 -4,-0.2 2,-0.4 0.583 110.3 77.6-103.2 -15.5 12.2 -4.2 -3.7 107 135 A S E < +d 91 0A 0 -4,-1.4 2,-0.3 -17,-0.2 -15,-0.2 -0.830 45.6 178.3-104.8 138.5 9.2 -3.1 -5.9 108 136 A V E -d 92 0A 0 -17,-3.0 -15,-3.5 -2,-0.4 2,-0.4 -0.878 21.8-135.4-119.8 162.5 5.7 -4.5 -6.3 109 137 A A E -d 93 0A 0 226,-3.1 -15,-0.2 -2,-0.3 -17,-0.1 -0.969 14.3-168.0-125.5 135.8 3.0 -3.1 -8.5 110 138 A M + 0 0 0 -17,-2.2 -16,-0.1 -2,-0.4 -1,-0.1 0.861 65.8 85.3 -85.6 -43.5 -0.7 -2.5 -7.8 111 139 A P S S- 0 0 2 0, 0.0 -16,-0.1 0, 0.0 227,-0.1 -0.234 92.6 -96.5 -59.5 148.6 -2.0 -1.7 -11.3 112 140 A Q - 0 0 0 230,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.373 47.2 -99.8 -60.2 146.4 -2.9 -4.6 -13.6 113 141 A P >> - 0 0 18 0, 0.0 4,-1.5 0, 0.0 3,-1.5 -0.463 31.9-116.4 -64.8 137.0 -0.1 -5.6 -15.9 114 142 A I H 3> S+ 0 0 7 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.845 111.5 55.8 -43.0 -46.5 -0.6 -4.2 -19.5 115 143 A P H 3> S+ 0 0 63 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.782 104.1 53.0 -64.8 -26.9 -1.0 -7.6 -21.2 116 144 A I H <> S+ 0 0 27 -3,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.903 114.4 43.0 -69.9 -39.0 -3.9 -8.6 -18.9 117 145 A M H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 -1,-0.1 0.874 112.0 53.4 -72.7 -37.6 -5.7 -5.4 -19.8 118 146 A G H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.894 100.5 62.0 -63.2 -39.9 -4.8 -5.8 -23.5 119 147 A K H X S+ 0 0 73 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.907 103.6 47.6 -54.4 -46.4 -6.2 -9.3 -23.6 120 148 A V H X S+ 0 0 16 -4,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.940 114.1 49.2 -63.5 -43.4 -9.7 -8.1 -22.7 121 149 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.943 114.0 44.1 -55.9 -49.1 -9.4 -5.3 -25.4 122 150 A Y H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.806 109.4 55.8 -74.9 -32.3 -8.2 -7.7 -28.2 123 151 A E H X S+ 0 0 84 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.862 108.3 48.2 -62.9 -40.0 -10.8 -10.4 -27.4 124 152 A H H X S+ 0 0 36 -4,-1.7 4,-0.8 -5,-0.2 -2,-0.2 0.908 110.8 53.1 -66.9 -41.0 -13.5 -7.8 -27.9 125 153 A M H ><>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 3,-1.5 0.978 110.5 45.5 -52.7 -61.4 -11.7 -6.8 -31.1 126 154 A K H ><5S+ 0 0 49 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.847 109.4 55.2 -51.2 -39.8 -11.7 -10.5 -32.5 127 155 A K H 3<5S+ 0 0 81 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.710 110.4 46.7 -73.3 -16.8 -15.4 -11.0 -31.5 128 156 A N T <<5S- 0 0 76 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.115 117.0-113.3-110.2 19.3 -16.3 -8.0 -33.5 129 157 A N T < 5 + 0 0 123 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.749 57.7 161.6 47.7 36.4 -14.3 -9.1 -36.5 130 158 A I < + 0 0 19 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.663 6.4 159.2 -79.1 134.1 -11.8 -6.2 -36.2 131 159 A K + 0 0 117 -2,-0.3 29,-2.8 1,-0.2 2,-0.4 0.646 52.7 62.8-121.6 -48.0 -8.6 -6.8 -38.1 132 160 A T E +f 160 0C 41 27,-0.2 56,-1.6 53,-0.1 55,-0.4 -0.749 61.2 175.1 -91.0 134.7 -6.8 -3.5 -38.8 133 161 A V E -fg 161 188C 0 27,-2.0 29,-2.4 -2,-0.4 30,-0.7 -0.988 14.2-161.2-134.3 139.3 -5.7 -1.5 -35.8 134 162 A G E -fg 163 189C 0 54,-2.3 56,-2.6 -2,-0.3 2,-0.4 -0.897 13.3-141.4-117.4 158.2 -3.7 1.7 -35.5 135 163 A Y E +fg 164 190C 0 28,-2.4 30,-1.5 -2,-0.3 2,-0.4 -0.940 19.6 175.5-120.3 137.2 -1.9 3.0 -32.4 136 164 A I E +fg 165 191C 0 54,-2.4 56,-2.1 -2,-0.4 2,-0.3 -0.966 29.1 142.3-131.2 123.5 -1.4 6.4 -30.9 137 165 A G E -fg 166 192C 0 28,-1.7 30,-1.8 -2,-0.4 56,-0.2 -0.884 51.6 -65.2-150.9 174.9 0.4 6.5 -27.6 138 166 A Y E -f 167 0C 4 54,-1.9 2,-1.1 -2,-0.3 30,-0.2 -0.385 37.9-129.0 -65.0 143.2 2.9 8.4 -25.4 139 167 A S S S+ 0 0 71 28,-2.0 2,-0.2 4,-0.1 -1,-0.1 -0.401 85.1 77.9 -86.6 55.8 6.4 8.6 -26.6 140 168 A D S > S- 0 0 38 -2,-1.1 4,-2.3 27,-0.1 5,-0.1 -0.796 105.5 -71.3-142.1-166.5 7.6 7.3 -23.1 141 169 A S H > S+ 0 0 35 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.736 128.6 53.0 -70.6 -20.2 7.8 4.0 -21.3 142 170 A Y H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.912 110.3 48.3 -76.8 -41.6 4.0 3.7 -20.8 143 171 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.907 111.8 50.5 -59.3 -45.6 3.4 4.2 -24.5 144 172 A D H X S+ 0 0 67 -4,-2.3 4,-4.6 2,-0.2 5,-0.3 0.921 107.0 53.4 -57.4 -48.3 6.1 1.6 -25.3 145 173 A L H X S+ 0 0 42 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.916 113.3 42.8 -53.6 -47.1 4.5 -1.0 -23.0 146 174 A W H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.929 117.0 46.7 -71.8 -41.2 1.1 -0.7 -24.6 147 175 A F H X S+ 0 0 20 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.970 111.3 52.4 -62.5 -47.7 2.7 -0.6 -28.1 148 176 A N H X S+ 0 0 85 -4,-4.6 4,-1.6 1,-0.2 -2,-0.2 0.917 112.2 46.8 -54.7 -39.0 4.9 -3.6 -27.3 149 177 A D H X>S+ 0 0 14 -4,-2.3 5,-1.9 -5,-0.3 4,-1.2 0.860 110.1 50.3 -72.8 -37.4 1.8 -5.5 -26.1 150 178 A L H <>S+ 0 0 0 -4,-2.2 5,-1.0 3,-0.2 -1,-0.2 0.937 113.8 47.7 -62.0 -45.5 -0.3 -4.6 -29.2 151 179 A K H <5S+ 0 0 97 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.813 125.2 29.9 -58.3 -36.9 2.6 -5.8 -31.4 152 180 A K H X5S+ 0 0 170 -4,-1.6 4,-1.3 -5,-0.3 -3,-0.2 0.934 134.4 20.4 -98.4 -66.3 3.0 -9.0 -29.5 153 181 A Q H X5S+ 0 0 47 -4,-1.2 4,-0.9 -5,-0.2 -3,-0.2 0.910 125.0 55.4 -70.0 -41.0 -0.3 -10.2 -27.9 154 182 A G H >4XS+ 0 0 0 -5,-1.9 5,-1.6 1,-0.2 3,-0.7 0.909 111.2 41.4 -58.0 -48.2 -2.4 -8.1 -30.4 155 183 A E H >4 - 0 0 38 -2,-0.3 3,-2.3 -30,-0.2 -28,-0.0 -0.672 34.7-112.6 -86.3 145.5 4.2 13.7 -25.7 169 197 A R T 3 S+ 0 0 58 -2,-0.3 -1,-0.1 1,-0.3 25,-0.1 0.792 115.1 44.6 -38.2 -53.4 2.1 13.8 -22.6 170 198 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.474 83.6 128.8 -78.0 -2.8 1.7 17.7 -22.5 171 199 A D < - 0 0 61 -3,-2.3 29,-0.1 1,-0.1 3,-0.1 -0.220 43.0-163.6 -54.5 139.4 1.0 18.0 -26.3 172 200 A T S S+ 0 0 131 1,-0.1 2,-0.4 28,-0.0 -1,-0.1 0.656 72.3 42.6-102.5 -15.7 -2.1 20.0 -27.1 173 201 A S + 0 0 60 1,-0.1 -1,-0.1 31,-0.0 27,-0.0 -0.950 41.0 174.4-121.1 150.6 -2.5 18.8 -30.7 174 202 A V > + 0 0 0 -2,-0.4 4,-2.9 26,-0.2 5,-0.2 -0.100 45.4 128.6-126.8 34.8 -2.2 15.4 -32.3 175 203 A A H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.901 70.9 43.6 -57.3 -51.2 -3.4 16.8 -35.6 176 204 A G H > S+ 0 0 41 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.898 116.7 47.1 -66.7 -42.3 -0.6 15.5 -37.8 177 205 A Q H > S+ 0 0 38 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.835 110.4 52.5 -66.9 -35.8 -0.6 12.1 -36.2 178 206 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.862 104.4 55.9 -73.9 -30.9 -4.4 11.8 -36.4 179 207 A L H X S+ 0 0 56 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.882 107.9 48.9 -65.1 -37.5 -4.4 12.5 -40.1 180 208 A K H X S+ 0 0 118 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.857 113.0 47.9 -65.4 -38.4 -1.9 9.7 -40.6 181 209 A L H < S+ 0 0 0 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.953 112.4 47.4 -67.6 -46.9 -4.2 7.4 -38.6 182 210 A V H >< S+ 0 0 35 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.922 109.7 54.5 -60.6 -46.9 -7.4 8.4 -40.4 183 211 A A H 3< S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.885 105.1 51.4 -49.8 -49.9 -5.7 8.0 -43.8 184 212 A A T 3< S- 0 0 48 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.620 98.4-154.0 -65.5 -9.7 -4.6 4.4 -43.0 185 213 A N < - 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