==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 29-FEB-12 4DZ1 . COMPND 2 MOLECULE: DALS D-ALANINE TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR M.MOK,M.JUNOP . 230 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10671.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 13.9 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 . 0 0.0 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 . 16 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.5 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 1 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 25 A I 0 0 159 0, 0.0 203,-0.1 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 -3.6 31.3 19.8 101.9 2 26 A V > + 0 0 5 40,-0.1 3,-3.1 3,-0.1 43,-0.2 0.465 360.0 134.8-111.8 -7.6 29.4 23.0 101.1 3 27 A E T 3 S- 0 0 159 1,-0.3 41,-0.2 41,-0.1 40,-0.2 -0.197 88.5 -5.3 -49.6 121.9 32.3 25.4 101.6 4 28 A G T 3 S+ 0 0 50 39,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.384 108.0 134.0 73.0 -4.8 32.2 27.9 98.7 5 29 A R < - 0 0 34 -3,-3.1 40,-2.3 38,-0.1 2,-0.5 -0.481 51.4-139.6 -82.4 146.9 29.4 25.9 97.2 6 30 A T E -a 45 0A 81 38,-0.2 2,-0.4 -2,-0.2 40,-0.2 -0.912 17.5-153.6-106.1 126.7 26.2 27.4 95.9 7 31 A L E -a 46 0A 10 38,-3.0 40,-3.1 -2,-0.5 2,-0.6 -0.838 13.2-131.3-104.2 137.7 23.0 25.5 96.7 8 32 A N E -a 47 0A 63 -2,-0.4 58,-2.1 38,-0.2 59,-1.9 -0.765 30.3-166.6 -82.5 120.4 19.8 25.6 94.6 9 33 A V E -ab 48 67A 2 38,-2.6 40,-2.7 -2,-0.6 2,-0.5 -0.943 10.5-155.9-117.5 127.0 16.9 26.3 97.0 10 34 A A E +ab 49 68A 0 57,-2.6 59,-1.6 -2,-0.5 2,-0.3 -0.869 21.1 170.5 -99.5 130.5 13.2 25.9 96.2 11 35 A V E -ab 50 69A 0 38,-2.1 40,-3.1 -2,-0.5 59,-0.2 -0.898 29.4-166.1-132.8 164.5 10.7 27.9 98.2 12 36 A S - 0 0 13 57,-0.5 2,-2.0 -2,-0.3 7,-0.1 -0.631 23.5-158.3-149.4 81.4 7.0 28.7 98.1 13 37 A P + 0 0 22 0, 0.0 8,-0.3 0, 0.0 57,-0.1 -0.385 59.4 99.3 -81.9 67.4 6.7 31.7 100.5 14 38 A A + 0 0 32 -2,-2.0 135,-0.5 6,-0.2 6,-0.2 -0.099 56.3 92.2-136.0 33.6 3.1 31.8 101.6 15 39 A S B >> S-I 19 0B 1 4,-2.4 4,-1.7 133,-0.1 3,-1.2 -0.576 76.3-132.3-126.5 69.2 3.4 30.1 105.0 16 40 A P T 34 S+ 0 0 12 0, 0.0 157,-0.3 0, 0.0 158,-0.1 -0.417 78.8 11.5 -70.4 143.9 4.0 32.8 107.7 17 41 A P T 34 S+ 0 0 6 0, 0.0 13,-2.0 0, 0.0 3,-0.2 -0.970 125.6 57.3 -94.5 10.5 6.0 33.0 109.8 18 42 A X T <4 S- 0 0 0 -3,-1.2 13,-2.3 1,-0.3 14,-0.6 0.934 131.0 -16.3 -62.9 -46.8 8.0 30.1 108.5 19 43 A L B < S+I 15 0B 0 -4,-1.7 -4,-2.4 51,-0.2 -1,-0.3 -0.864 85.1 126.0-160.2 129.2 8.5 31.8 105.1 20 44 A F E -J 28 0C 21 8,-2.6 8,-2.6 -2,-0.3 2,-0.4 -0.900 48.0 -97.2-161.5-175.5 6.6 34.7 103.6 21 45 A K E -J 27 0C 91 -8,-0.3 6,-0.2 -2,-0.3 -2,-0.0 -0.959 25.2-135.1-122.2 140.5 7.1 38.1 102.0 22 46 A S > - 0 0 40 4,-2.0 3,-1.8 -2,-0.4 6,-0.0 -0.219 43.0 -89.6 -76.1 178.0 6.8 41.5 103.5 23 47 A A T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.902 129.4 57.2 -54.9 -43.4 4.9 44.4 101.8 24 48 A D T 3 S- 0 0 98 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.455 121.9-108.3 -71.4 -0.7 8.1 45.4 100.0 25 49 A G < + 0 0 42 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.558 66.6 152.4 86.8 9.4 8.4 41.9 98.6 26 50 A K - 0 0 149 1,-0.1 -4,-2.0 -5,-0.0 -1,-0.3 -0.589 45.3-125.8 -78.4 129.4 11.3 40.8 100.8 27 51 A L E +J 21 0C 28 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.508 47.9 147.7 -70.0 136.7 11.5 37.1 101.5 28 52 A Q E +J 20 0C 47 -8,-2.6 -8,-2.6 -2,-0.2 2,-0.2 -0.994 1.2 93.7-163.5 167.1 11.7 36.4 105.2 29 53 A G S > S- 0 0 2 -2,-0.3 4,-2.4 -10,-0.2 -11,-0.2 -0.735 75.4 -49.2 137.1-178.6 10.9 34.1 108.1 30 54 A I H > S+ 0 0 0 -13,-2.0 4,-2.6 -2,-0.2 5,-0.2 0.895 126.1 51.7 -52.0 -49.3 12.1 31.3 110.4 31 55 A D H > S+ 0 0 0 -13,-2.3 4,-2.7 1,-0.2 5,-0.3 0.901 111.8 45.7 -62.3 -43.1 13.2 29.0 107.6 32 56 A L H > S+ 0 0 36 -14,-0.6 4,-2.6 2,-0.2 5,-0.3 0.902 112.0 51.2 -68.1 -41.7 15.3 31.6 105.9 33 57 A E H X S+ 0 0 68 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.937 113.6 46.2 -60.7 -44.2 16.9 32.8 109.2 34 58 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.963 118.2 38.8 -61.0 -54.9 17.8 29.2 110.0 35 59 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.871 113.9 52.6 -72.8 -33.5 19.2 28.2 106.7 36 60 A S H X S+ 0 0 52 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.851 109.3 51.8 -69.4 -30.1 21.0 31.4 106.0 37 61 A S H X S+ 0 0 46 -4,-1.5 4,-1.4 -5,-0.3 -2,-0.2 0.888 108.0 52.0 -68.5 -40.9 22.7 31.2 109.4 38 62 A Y H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 3,-0.3 0.938 110.5 48.2 -56.1 -47.4 23.8 27.6 108.5 39 63 A a H X>S+ 0 0 6 -4,-2.3 5,-1.8 1,-0.2 4,-1.1 0.817 106.0 56.4 -68.6 -30.2 25.3 29.0 105.2 40 64 A Q H <5S+ 0 0 72 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.846 111.8 45.4 -66.1 -32.5 27.1 31.8 107.0 41 65 A S H <5S+ 0 0 54 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.882 120.5 36.3 -77.5 -41.1 28.7 29.1 109.2 42 66 A R H <5S- 0 0 34 -4,-2.3 -38,-0.2 -5,-0.1 -2,-0.2 0.419 108.1-120.7 -94.4 0.3 29.6 26.7 106.3 43 67 A H T <5 + 0 0 128 -4,-1.1 -39,-2.7 -5,-0.2 2,-0.2 0.896 63.5 139.2 63.0 43.6 30.5 29.5 103.9 44 68 A a < - 0 0 11 -5,-1.8 2,-0.3 -41,-0.2 -38,-0.2 -0.732 42.3-135.6-113.2 166.9 27.9 28.5 101.3 45 69 A K E -a 6 0A 127 -40,-2.3 -38,-3.0 -2,-0.2 2,-0.5 -0.875 11.5-130.9-122.8 154.3 25.6 30.6 99.1 46 70 A L E -a 7 0A 48 -2,-0.3 2,-0.6 -40,-0.2 -38,-0.2 -0.896 9.7-166.9-110.1 131.3 21.9 30.3 98.2 47 71 A N E -a 8 0A 81 -40,-3.1 -38,-2.6 -2,-0.5 2,-0.4 -0.914 25.9-162.1-109.2 100.3 20.3 30.5 94.8 48 72 A I E -a 9 0A 57 -2,-0.6 2,-0.4 -40,-0.2 -38,-0.2 -0.704 13.8-175.3 -96.6 129.8 16.6 30.8 95.6 49 73 A T E -a 10 0A 62 -40,-2.7 -38,-2.1 -2,-0.4 2,-0.4 -0.986 20.6-134.4-121.4 132.4 13.8 30.1 93.1 50 74 A E E +a 11 0A 93 -2,-0.4 2,-0.3 -40,-0.2 -38,-0.2 -0.741 31.3 170.6 -90.0 129.5 10.1 30.7 94.0 51 75 A Y - 0 0 69 -40,-3.1 2,-0.1 -2,-0.4 -41,-0.0 -0.781 39.6 -97.8-123.5 167.1 7.6 27.9 93.1 52 76 A A > - 0 0 75 -2,-0.3 4,-2.2 -40,-0.1 5,-0.2 -0.418 57.5 -92.3 -71.9 167.1 4.0 27.1 93.7 53 77 A W H > S+ 0 0 13 94,-0.3 4,-2.0 1,-0.2 5,-0.2 0.908 127.0 42.2 -54.6 -48.7 3.7 24.6 96.5 54 78 A D H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.827 111.3 57.1 -71.1 -29.2 3.7 21.4 94.4 55 79 A G H > S+ 0 0 30 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.881 106.8 49.5 -66.1 -38.4 6.5 22.9 92.2 56 80 A X H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.954 113.7 43.2 -65.9 -53.1 8.7 23.3 95.3 57 81 A L H X S+ 0 0 24 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.893 114.2 53.2 -59.9 -39.7 8.2 19.7 96.6 58 82 A G H X S+ 0 0 38 -4,-2.4 4,-1.8 -5,-0.2 6,-0.3 0.904 106.5 52.1 -60.8 -42.1 8.6 18.4 93.0 59 83 A A H X>S+ 0 0 6 -4,-2.1 6,-2.4 2,-0.2 5,-1.0 0.895 113.4 41.7 -66.6 -41.2 11.9 20.2 92.6 60 84 A V H <5S+ 0 0 1 -4,-1.8 140,-0.4 4,-0.2 3,-0.3 0.883 113.4 54.3 -76.0 -32.5 13.5 18.8 95.7 61 85 A A H <5S+ 0 0 42 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.821 112.2 43.8 -65.4 -31.3 12.0 15.3 95.1 62 86 A S H <5S- 0 0 91 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.644 114.1-114.8 -87.2 -15.0 13.6 15.2 91.6 63 87 A G T <5S+ 0 0 20 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.433 85.1 121.3 87.5 1.1 16.9 16.6 92.7 64 88 A Q S - 0 0 15 -2,-1.1 4,-2.4 1,-0.1 5,-0.2 -0.777 45.0-120.1-110.4 157.6 5.5 13.1 106.4 76 100 A D H > S+ 0 0 126 -2,-0.3 4,-0.8 1,-0.2 -1,-0.1 0.894 115.0 52.3 -57.5 -43.2 6.0 9.4 105.7 77 101 A K H >4 S+ 0 0 132 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.940 112.0 44.4 -58.9 -49.3 5.0 9.9 102.0 78 102 A R H >> S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 3,-1.6 0.859 103.7 64.9 -66.5 -34.9 7.5 12.7 101.5 79 103 A K H 3< S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.726 90.5 66.7 -61.8 -22.1 10.3 10.9 103.3 80 104 A K T << S+ 0 0 171 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.795 119.6 19.3 -67.3 -27.1 10.3 8.2 100.6 81 105 A V T <4 S+ 0 0 72 -3,-1.6 119,-0.6 -4,-0.4 2,-0.3 0.467 124.7 50.2-122.9 -5.6 11.6 10.8 98.1 82 106 A I E < -D 199 0A 3 -4,-1.7 2,-0.5 117,-0.1 117,-0.2 -0.983 68.4-134.8-137.6 142.6 13.1 13.6 100.2 83 107 A D E -D 198 0A 18 115,-2.4 115,-2.4 -2,-0.3 2,-0.3 -0.879 27.6-157.5 -97.8 129.4 15.6 13.7 103.1 84 108 A F E -D 197 0A 9 -2,-0.5 113,-0.2 113,-0.2 2,-0.0 -0.768 13.6-123.5-107.7 150.9 14.6 15.9 106.0 85 109 A S - 0 0 3 111,-2.6 3,-0.1 -2,-0.3 121,-0.1 -0.245 52.5 -78.4 -64.3 169.4 16.5 17.6 108.8 86 110 A E - 0 0 104 119,-0.2 110,-0.4 1,-0.1 -1,-0.2 -0.406 69.4 -83.9 -61.4 154.7 15.5 16.9 112.4 87 111 A P - 0 0 45 0, 0.0 108,-0.2 0, 0.0 -1,-0.1 -0.330 33.8-168.0 -67.4 145.6 12.4 18.9 113.2 88 112 A Y S S+ 0 0 19 106,-2.2 2,-0.3 1,-0.3 107,-0.1 0.401 76.4 29.5-105.9 -2.6 12.6 22.5 114.3 89 113 A Y E -E 194 0A 36 105,-0.9 105,-2.3 135,-0.0 2,-0.7 -0.955 66.8-136.6-158.4 134.8 9.0 22.7 115.4 90 114 A I E -E 193 0A 79 -2,-0.3 103,-0.2 103,-0.2 2,-0.2 -0.860 39.8-155.6 -93.6 117.9 6.3 20.4 116.8 91 115 A N E -E 192 0A 0 101,-2.2 101,-2.0 -2,-0.7 100,-0.4 -0.561 17.4-161.5-107.3 153.0 3.2 21.4 114.9 92 116 A S E - 0 0 3 98,-0.2 76,-2.7 -2,-0.2 2,-0.5 -0.959 15.5-136.1-128.3 148.7 -0.6 21.1 115.4 93 117 A F E -EF 188 167A 6 95,-1.7 95,-3.2 -2,-0.3 2,-0.4 -0.918 19.7-161.8-108.0 129.1 -3.5 21.4 112.8 94 118 A Y E -EF 187 166A 20 72,-2.3 72,-2.7 -2,-0.5 2,-0.6 -0.854 17.0-141.5-107.1 145.0 -6.6 23.5 113.6 95 119 A L E -EF 186 165A 0 91,-2.6 90,-3.3 -2,-0.4 91,-1.2 -0.934 34.9-166.3 -97.8 125.6 -10.0 23.4 112.0 96 120 A V E +EF 184 164A 0 68,-2.6 68,-2.5 -2,-0.6 2,-0.2 -0.900 16.6 178.2-125.0 134.4 -11.0 27.1 111.8 97 121 A S E -E 183 0A 0 86,-2.5 86,-2.5 -2,-0.4 2,-0.2 -0.741 44.1 -82.1-119.7 175.5 -14.3 28.9 111.2 98 122 A X E > -E 182 0A 26 64,-0.3 3,-1.6 -2,-0.2 84,-0.3 -0.518 45.8-117.2 -68.0 150.3 -15.3 32.6 111.1 99 123 A A T 3 S+ 0 0 27 82,-2.7 83,-0.1 1,-0.3 -1,-0.1 0.824 114.0 52.2 -64.0 -30.7 -16.0 33.8 114.7 100 124 A N T 3 S+ 0 0 135 81,-0.3 2,-0.8 1,-0.1 -1,-0.3 0.458 90.8 84.2 -84.5 -0.4 -19.7 34.5 113.9 101 125 A H S < S- 0 0 72 -3,-1.6 2,-2.0 61,-0.1 -1,-0.1 -0.882 75.2-151.3-106.1 102.6 -20.2 31.0 112.5 102 126 A K + 0 0 154 -2,-0.8 2,-0.7 -5,-0.0 -3,-0.1 -0.437 26.7 165.6 -86.6 73.0 -20.9 28.9 115.6 103 127 A I - 0 0 2 -2,-2.0 2,-0.6 59,-0.1 -6,-0.1 -0.772 16.3-166.1 -88.3 116.1 -19.6 25.5 114.7 104 128 A T - 0 0 102 -2,-0.7 2,-0.7 6,-0.0 82,-0.1 -0.915 1.8-162.5-104.7 122.5 -19.3 23.3 117.8 105 129 A L + 0 0 20 -2,-0.6 3,-0.1 80,-0.5 -2,-0.0 -0.878 18.2 170.9-111.8 107.7 -17.3 20.1 117.3 106 130 A N - 0 0 120 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.834 69.7 -23.1 -78.1 -34.4 -17.7 17.4 119.9 107 131 A N S > S- 0 0 67 79,-0.0 3,-1.6 1,-0.0 -1,-0.2 -0.949 75.6 -80.7-167.6 176.8 -15.8 14.7 118.0 108 132 A L G > S+ 0 0 32 1,-0.3 3,-1.4 -2,-0.3 4,-0.3 0.690 113.8 73.9 -70.8 -17.7 -14.7 13.5 114.6 109 133 A N G 3 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.582 91.5 60.0 -67.6 -9.9 -18.1 12.0 113.8 110 134 A E G X S+ 0 0 44 -3,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.485 81.3 82.7 -98.9 -2.6 -19.4 15.5 113.4 111 135 A L G X S+ 0 0 0 -3,-1.4 3,-2.3 1,-0.2 -1,-0.2 0.807 70.8 78.1 -70.3 -32.2 -17.1 16.7 110.5 112 136 A N G 3 S+ 0 0 65 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.750 86.2 58.5 -56.2 -30.8 -19.1 15.2 107.7 113 137 A K G < S+ 0 0 128 -3,-0.6 2,-0.3 2,-0.1 -1,-0.3 0.525 99.5 71.9 -80.5 -1.6 -21.8 17.9 107.5 114 138 A Y S < S- 0 0 42 -3,-2.3 2,-0.4 -4,-0.1 47,-0.0 -0.819 80.2-120.0-114.2 151.6 -19.2 20.7 106.9 115 139 A S - 0 0 20 -2,-0.3 48,-2.0 28,-0.0 2,-0.4 -0.743 29.5-161.3 -82.8 134.9 -17.0 21.7 104.0 116 140 A I E +g 163 0A 1 26,-0.4 28,-2.4 -2,-0.4 2,-0.3 -0.971 12.1 178.9-119.8 135.5 -13.3 21.5 104.8 117 141 A G E +gh 164 144A 0 46,-2.0 48,-2.6 -2,-0.4 28,-0.2 -0.961 11.2 147.1-140.6 154.4 -10.7 23.4 102.7 118 142 A Y E - h 0 145A 0 26,-1.8 28,-1.7 -2,-0.3 2,-0.1 -0.960 53.2 -54.8-170.3 172.4 -6.9 24.0 102.6 119 143 A P E > - h 0 146A 0 0, 0.0 3,-1.7 0, 0.0 5,-0.2 -0.405 61.6-103.6 -68.7 136.0 -4.1 24.6 100.1 120 144 A R T 3 S+ 0 0 153 26,-3.3 -66,-0.1 1,-0.2 3,-0.1 -0.259 103.2 21.0 -56.1 134.9 -3.5 21.9 97.4 121 145 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.2 -68,-0.1 2,-0.1 0.393 91.9 131.5 89.6 -3.1 -0.6 19.6 98.0 122 146 A X S X S- 0 0 7 -3,-1.7 3,-1.7 1,-0.1 4,-0.3 -0.401 71.6-103.4 -86.1 165.5 -0.4 20.2 101.8 123 147 A A T 3> S+ 0 0 4 108,-2.7 4,-1.7 1,-0.3 3,-0.5 0.531 104.3 85.0 -71.7 -8.4 -0.2 17.5 104.5 124 148 A Y H 3> S+ 0 0 0 1,-0.2 4,-2.4 107,-0.2 -1,-0.3 0.857 84.6 62.0 -57.4 -34.8 -3.9 17.8 105.6 125 149 A S H <> S+ 0 0 25 -3,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.894 102.0 49.9 -58.7 -41.1 -4.7 15.4 102.7 126 150 A D H > S+ 0 0 29 -3,-0.5 4,-2.7 -4,-0.3 5,-0.4 0.929 108.7 52.1 -63.4 -46.1 -2.5 12.7 104.3 127 151 A L H X>S+ 0 0 15 -4,-1.7 4,-2.7 1,-0.2 5,-1.0 0.932 115.0 42.6 -55.2 -47.6 -4.3 13.1 107.7 128 152 A I H X>S+ 0 0 0 -4,-2.4 5,-3.4 3,-0.2 4,-0.9 0.955 115.6 47.2 -65.7 -50.3 -7.6 12.7 106.0 129 153 A K H <5S+ 0 0 106 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.845 125.8 29.1 -60.6 -35.7 -6.7 9.8 103.8 130 154 A N H <5S+ 0 0 102 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.763 133.0 22.8 -99.6 -29.7 -5.0 7.9 106.6 131 155 A D H <5S+ 0 0 87 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.720 128.7 28.6-113.7 -29.9 -6.7 8.9 109.8 132 156 A L T > - 0 0 29 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.977 13.4-140.0-126.2 134.3 -13.7 11.8 102.6 140 164 A L G > S+ 0 0 49 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.817 104.1 67.2 -56.4 -29.2 -10.9 13.3 100.5 141 165 A S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.674 98.1 53.1 -67.9 -15.5 -13.4 13.6 97.7 142 166 A K G < S+ 0 0 81 -3,-2.1 -26,-0.4 2,-0.1 -1,-0.3 0.484 84.4 106.8 -98.9 -5.1 -15.3 16.2 99.7 143 167 A V < - 0 0 23 -3,-1.3 2,-0.5 -4,-0.3 -26,-0.2 -0.374 62.9-134.8 -76.4 154.8 -12.4 18.7 100.4 144 168 A K E -h 117 0A 76 -28,-2.4 -26,-1.8 -2,-0.1 2,-0.3 -0.950 22.1-155.2-106.4 126.6 -12.1 22.0 98.7 145 169 A L E -h 118 0A 56 -2,-0.5 3,-0.0 -28,-0.2 -28,-0.0 -0.809 11.3-175.1-108.2 146.2 -8.5 22.8 97.5 146 170 A Y E -h 119 0A 21 -28,-1.7 -26,-3.3 -2,-0.3 3,-0.1 -0.877 36.3-114.7-133.0 161.6 -7.0 26.2 97.0 147 171 A P S S- 0 0 91 0, 0.0 -94,-0.3 0, 0.0 2,-0.3 0.891 92.8 -10.5 -62.3 -42.3 -3.7 27.6 95.6 148 172 A T S > S- 0 0 37 -29,-0.1 4,-1.6 -96,-0.1 5,-0.1 -0.873 76.7 -90.3-147.8 176.7 -2.6 29.1 99.0 149 173 A Y H > S+ 0 0 2 -135,-0.5 4,-2.8 -2,-0.3 5,-0.2 0.836 120.0 63.1 -63.0 -31.8 -3.8 29.9 102.5 150 174 A N H > S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.925 105.4 42.2 -62.3 -45.6 -4.8 33.4 101.2 151 175 A E H > S+ 0 0 83 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.836 113.1 55.0 -68.2 -33.4 -7.4 32.0 98.8 152 176 A T H X S+ 0 0 1 -4,-1.6 4,-1.7 1,-0.2 3,-0.3 0.951 109.5 46.7 -60.7 -48.8 -8.6 29.5 101.4 153 177 A X H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.847 105.7 60.2 -64.5 -33.5 -9.2 32.3 103.9 154 178 A A H X S+ 0 0 48 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.904 107.0 45.2 -62.5 -39.9 -11.0 34.3 101.2 155 179 A D H X>S+ 0 0 35 -4,-1.5 6,-1.9 -3,-0.3 5,-0.9 0.805 111.9 52.7 -73.3 -30.3 -13.6 31.5 100.9 156 180 A L H ><5S+ 0 0 1 -4,-1.7 3,-1.0 4,-0.2 -2,-0.2 0.951 109.7 50.1 -64.2 -45.9 -13.9 31.3 104.6 157 181 A K H 3<5S+ 0 0 106 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.845 111.3 45.6 -64.4 -36.9 -14.5 35.0 104.8 158 182 A N H 3<5S- 0 0 95 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.487 115.1-111.7 -89.4 -0.6 -17.3 35.1 102.2 159 183 A G T <<5S+ 0 0 52 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.415 86.4 116.6 91.5 -0.8 -19.1 32.1 103.7 160 184 A N S > -F 93 0A 0 -2,-0.4 4,-2.5 -74,-0.2 3,-0.7 -0.308 36.7-104.3 -65.5 150.6 -1.5 24.8 111.0 168 192 A E H 3> S+ 0 0 38 -76,-2.7 4,-2.5 1,-0.2 5,-0.2 0.805 114.4 48.1 -47.5 -51.6 -1.0 26.5 114.3 169 193 A P H 3> S+ 0 0 5 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.875 115.1 46.3 -64.2 -36.3 1.7 29.1 113.4 170 194 A V H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.911 110.2 54.3 -69.4 -42.6 -0.3 30.3 110.4 171 195 A Y H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.929 109.0 48.0 -55.0 -48.1 -3.5 30.4 112.4 172 196 A F H X>S+ 0 0 75 -4,-2.5 4,-2.6 1,-0.2 5,-1.1 0.858 108.5 54.8 -66.4 -32.4 -1.9 32.7 114.9 173 197 A T H X>S+ 0 0 4 -4,-1.6 5,-2.5 -157,-0.3 4,-0.8 0.954 113.8 40.8 -59.6 -51.0 -0.5 34.9 112.2 174 198 A F H <5S+ 0 0 5 -4,-2.5 6,-2.7 3,-0.2 -2,-0.2 0.901 123.4 39.0 -65.0 -41.0 -4.0 35.4 110.7 175 199 A K H <5S+ 0 0 51 -4,-2.7 -3,-0.2 4,-0.2 -2,-0.2 0.928 130.3 21.5 -79.9 -45.4 -5.7 35.7 114.1 176 200 A N H <5S+ 0 0 73 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.838 130.7 35.2 -98.1 -38.2 -3.3 37.8 116.1 177 201 A K T < - E 0 93A 22 -95,-3.2 -95,-1.7 -2,-0.4 3,-0.8 -0.859 35.8-143.3 -93.7 98.0 -5.2 18.1 116.3 189 213 A K E 3 - 0 0 163 -2,-0.9 -97,-0.1 1,-0.2 -98,-0.1 -0.480 60.4 -22.8 -80.1 124.4 -2.5 18.5 119.0 190 214 A N E 3 S+ 0 0 94 -2,-0.3 -1,-0.2 -100,-0.1 -98,-0.2 0.841 87.2 136.3 53.7 40.5 1.2 17.9 118.2 191 215 A V E < + 0 0 77 -3,-0.8 2,-0.3 -100,-0.4 -99,-0.2 0.468 59.9 46.6 -94.4 -1.6 0.4 15.6 115.3 192 216 A D E - E 0 91A 14 -101,-2.0 -101,-2.2 -4,-0.1 2,-0.3 -0.864 60.0-152.1-140.0 164.4 3.0 17.1 112.9 193 217 A Q E - E 0 90A 82 -2,-0.3 -119,-2.8 -103,-0.2 2,-0.4 -0.998 13.2-142.1-140.4 140.4 6.7 18.2 112.7 194 218 A L E +CE 73 89A 0 -105,-2.3 -106,-2.2 -2,-0.3 -105,-0.9 -0.825 29.0 159.3-103.9 142.5 8.3 20.8 110.5 195 219 A G E -C 72 0A 0 -123,-2.3 -123,-0.6 -2,-0.4 2,-0.4 -0.930 43.3 -94.7-148.7 170.7 11.8 20.4 109.0 196 220 A I E - 0 0 0 -110,-0.4 -111,-2.6 -2,-0.3 2,-0.3 -0.784 43.0-134.8 -89.5 139.0 14.1 21.6 106.2 197 221 A A E -CD 68 84A 0 -129,-2.5 -129,-2.3 -2,-0.4 2,-0.3 -0.727 22.4-176.8 -99.0 144.7 14.0 19.4 103.0 198 222 A F E -CD 67 83A 0 -115,-2.4 -115,-2.4 -2,-0.3 -131,-0.2 -0.959 37.4 -90.2-135.6 154.0 17.0 18.1 101.0 199 223 A K E > - D 0 82A 67 -133,-2.1 3,-2.2 -2,-0.3 6,-0.2 -0.332 64.2 -82.5 -62.7 146.4 17.4 16.1 97.9 200 224 A K T 3 S+ 0 0 100 -119,-0.6 -1,-0.1 -140,-0.4 -118,-0.0 -0.256 116.4 13.7 -54.7 129.3 17.5 12.4 98.6 201 225 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.454 87.0 154.5 85.7 2.2 21.0 11.3 99.6 202 226 A S X> - 0 0 8 -3,-2.2 3,-0.8 1,-0.2 4,-0.6 -0.441 40.8-152.4 -69.4 131.3 22.3 14.9 100.2 203 227 A P H 3> S+ 0 0 64 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.697 93.0 74.8 -71.0 -17.8 25.2 15.2 102.6 204 228 A V H 3> S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.854 88.2 59.0 -62.5 -32.2 23.9 18.7 103.3 205 229 A R H <> S+ 0 0 62 -3,-0.8 4,-2.2 -6,-0.2 -1,-0.2 0.944 108.3 44.7 -59.8 -46.0 21.1 17.1 105.3 206 230 A D H X S+ 0 0 94 -4,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.897 114.9 46.8 -66.3 -42.6 23.6 15.5 107.7 207 231 A D H X S+ 0 0 31 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.854 110.5 52.7 -70.6 -35.6 25.8 18.6 108.0 208 232 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.914 107.5 52.6 -63.0 -42.3 22.7 20.8 108.6 209 233 A N H X S+ 0 0 20 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.912 108.5 51.1 -57.8 -40.2 21.7 18.3 111.4 210 234 A L H X S+ 0 0 96 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.923 109.5 49.9 -61.4 -44.6 25.2 18.8 112.8 211 235 A W H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.909 106.1 55.1 -62.3 -43.8 24.8 22.6 112.7 212 236 A L H X S+ 0 0 20 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.870 111.4 45.7 -54.7 -38.2 21.4 22.3 114.5 213 237 A K H < S+ 0 0 140 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.823 108.3 55.2 -78.3 -31.7 23.1 20.4 117.3 214 238 A E H < S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.904 112.0 45.4 -62.9 -41.9 26.1 22.9 117.4 215 239 A Q H < S- 0 0 58 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.908 107.3-145.3 -67.7 -43.4 23.5 25.6 118.0 216 240 A G X - 0 0 13 -4,-2.0 4,-1.9 -5,-0.2 3,-0.4 0.109 26.0 -75.1 89.3 154.4 21.5 23.7 120.6 217 241 A P H > S+ 0 0 104 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.813 125.2 53.9 -52.4 -42.5 17.8 23.5 121.4 218 242 A Q H > S+ 0 0 151 2,-0.2 4,-1.7 1,-0.2 -2,-0.1 0.891 109.5 46.6 -68.1 -39.8 17.6 26.9 123.1 219 243 A K H > S+ 0 0 129 -4,-0.4 4,-1.9 -3,-0.4 -1,-0.2 0.926 116.7 44.6 -66.0 -44.6 19.1 28.9 120.3 220 244 A I H X S+ 0 0 16 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.951 114.5 47.4 -64.9 -49.8 16.9 27.1 117.7 221 245 A S H X S+ 0 0 55 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.835 110.0 55.8 -61.1 -32.3 13.7 27.4 119.8 222 246 A G H X S+ 0 0 36 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.898 107.3 47.6 -67.0 -42.4 14.6 31.1 120.4 223 247 A I H X S+ 0 0 28 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.947 114.5 47.2 -60.3 -49.6 14.8 31.8 116.6 224 248 A V H >X S+ 0 0 3 -4,-2.5 4,-1.0 1,-0.2 3,-0.7 0.936 113.9 46.9 -57.5 -49.8 11.4 30.0 116.1 225 249 A D H 3< S+ 0 0 96 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.842 101.8 64.0 -64.7 -36.3 9.8 31.8 119.0 226 250 A S H >< S+ 0 0 74 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.845 107.2 44.2 -57.4 -34.0 11.0 35.3 118.0 227 251 A W H << S+ 0 0 68 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.731 106.9 58.6 -82.9 -24.5 9.0 35.0 114.7 228 252 A X T 3< 0 0 46 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.150 360.0 360.0 -92.5 21.6 5.9 33.6 116.4 229 253 A K < 0 0 144 -3,-0.6 -1,-0.2 -4,-0.0 0, 0.0 -0.532 360.0 360.0 66.9 360.0 5.6 36.7 118.6 230 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 231 301 A X 0 0 0 0, 0.0 -108,-2.7 0, 0.0 -159,-0.2 0.000 360.0 360.0 360.0 360.0 2.1 22.0 105.8