==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 10-APR-07 2YV7 . COMPND 2 MOLECULE: CG10997-PA; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR S.J.HARROP,D.R.LITTLER,P.M.G.CURMI . 235 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 4.7 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 . 0 0.0 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 . 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 . 18 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 1 1 0 1 0 2 1 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 14 A G 0 0 137 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -54.5 13.8 28.2 31.3 2 15 A S > - 0 0 57 1,-0.1 3,-1.5 0, 0.0 4,-0.2 -0.987 360.0-123.6-147.6 148.2 12.4 26.0 34.0 3 16 A S G > S+ 0 0 94 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.753 104.1 82.6 -60.7 -25.3 11.9 22.2 34.6 4 17 A K G 3 S+ 0 0 166 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 0.748 90.9 48.1 -48.0 -29.3 8.2 23.3 35.1 5 18 A F G < S+ 0 0 146 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.436 78.4 127.0 -96.7 -3.5 7.9 23.2 31.2 6 19 A D < - 0 0 119 -3,-2.0 3,-0.1 -4,-0.2 -3,-0.0 -0.321 63.7-123.4 -51.0 129.8 9.5 19.8 30.6 7 20 A V - 0 0 75 1,-0.1 39,-0.2 39,-0.1 38,-0.1 -0.488 43.7 -86.0 -69.0 153.9 7.1 17.6 28.5 8 21 A P - 0 0 54 0, 0.0 39,-2.7 0, 0.0 2,-0.7 -0.300 34.6-134.3 -60.9 140.8 6.4 14.3 30.4 9 22 A E E -a 47 0A 99 37,-0.2 64,-0.7 -3,-0.1 2,-0.4 -0.886 20.4-163.4 -95.0 119.6 8.7 11.4 30.0 10 23 A I E -aB 48 72A 1 37,-4.1 39,-2.7 -2,-0.7 2,-0.5 -0.880 3.0-155.1-100.6 136.9 6.8 8.2 29.3 11 24 A E E -aB 49 71A 35 60,-2.6 60,-3.0 -2,-0.4 2,-0.6 -0.945 5.1-165.7-109.9 125.0 8.6 4.9 29.8 12 25 A L E -aB 50 70A 0 37,-3.1 39,-2.6 -2,-0.5 2,-0.5 -0.956 7.7-153.7-109.8 117.8 7.4 1.8 27.9 13 26 A I E -aB 51 69A 17 56,-3.0 56,-1.3 -2,-0.6 2,-0.3 -0.816 20.8-177.1 -87.5 128.7 8.8 -1.5 29.1 14 27 A I E -a 52 0A 5 37,-3.4 39,-2.9 -2,-0.5 2,-0.2 -0.862 29.9-100.4-125.9 158.5 8.8 -4.2 26.3 15 28 A K E -a 53 0A 70 -2,-0.3 10,-2.5 37,-0.2 12,-0.2 -0.559 40.3-129.2 -77.4 135.2 9.7 -7.9 26.0 16 29 A A B -D 24 0B 7 37,-2.5 39,-0.3 8,-0.2 8,-0.2 -0.496 33.3 -80.5 -79.3 153.8 13.1 -8.7 24.5 17 30 A S > - 0 0 0 6,-3.1 4,-1.4 8,-0.2 -1,-0.2 -0.236 29.7-138.7 -43.9 137.6 13.9 -11.0 21.7 18 31 A T T 4 S+ 0 0 60 2,-0.2 -1,-0.1 191,-0.2 7,-0.0 0.354 99.2 59.5 -87.1 -2.0 14.1 -14.6 22.8 19 32 A I T 4 S+ 0 0 38 4,-0.1 -1,-0.2 204,-0.0 6,-0.0 0.872 127.9 1.9 -91.2 -51.6 17.1 -15.0 20.5 20 33 A D T 4 S- 0 0 38 3,-0.1 -2,-0.2 0, 0.0 34,-0.1 0.521 82.9-130.9-116.9 -7.4 19.5 -12.5 22.0 21 34 A G S < S+ 0 0 17 -4,-1.4 33,-0.1 1,-0.1 -5,-0.1 0.511 94.5 67.4 70.6 4.5 17.7 -10.9 25.0 22 35 A R S S+ 0 0 197 2,-0.1 -1,-0.1 31,-0.1 3,-0.1 0.694 76.0 79.3-122.1 -42.5 18.5 -7.4 23.8 23 36 A R S S- 0 0 54 1,-0.1 -6,-3.1 -7,-0.1 -2,-0.1 -0.322 96.5 -87.9 -64.3 153.5 16.7 -6.7 20.6 24 37 A K B -D 16 0B 62 -8,-0.2 182,-0.3 180,-0.1 -8,-0.2 -0.369 50.4-131.7 -57.1 146.9 13.0 -5.7 20.8 25 38 A G - 0 0 12 -10,-2.5 -8,-0.2 -8,-0.1 185,-0.1 -0.122 19.5 -99.5 -93.4-166.4 10.8 -8.9 20.8 26 39 A A + 0 0 6 183,-0.3 2,-0.1 -10,-0.2 -10,-0.1 0.181 62.2 140.8-108.0 18.5 7.7 -9.7 18.8 27 40 A C > - 0 0 16 -12,-0.2 4,-2.1 1,-0.2 5,-0.1 -0.409 44.4-148.3 -65.0 126.9 4.8 -9.0 21.2 28 41 A L H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.821 97.1 52.8 -65.7 -36.1 1.9 -7.4 19.3 29 42 A F H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.946 108.2 50.2 -64.4 -46.2 0.8 -5.4 22.4 30 43 A C H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.950 113.7 45.6 -55.5 -46.7 4.3 -4.0 22.9 31 44 A Q H X S+ 0 0 5 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.922 111.6 51.3 -67.8 -39.4 4.5 -3.0 19.2 32 45 A E H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.941 116.5 39.4 -59.3 -49.8 1.0 -1.4 19.2 33 46 A Y H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.859 112.8 55.9 -75.1 -33.0 1.7 0.7 22.4 34 47 A F H X S+ 0 0 18 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.950 110.7 46.9 -56.4 -49.3 5.3 1.5 21.2 35 48 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.918 111.0 49.9 -61.8 -45.9 3.7 2.8 18.0 36 49 A D H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.951 115.2 44.3 -57.7 -47.4 1.0 4.9 19.8 37 50 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.870 109.9 54.4 -70.2 -36.3 3.6 6.5 22.1 38 51 A Y H X S+ 0 0 56 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.916 107.5 51.1 -60.4 -44.3 6.0 7.2 19.3 39 52 A L H X S+ 0 0 12 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.880 111.8 47.5 -61.2 -39.8 3.3 9.0 17.3 40 53 A L H <>S+ 0 0 1 -4,-1.7 5,-2.0 2,-0.2 6,-0.5 0.881 111.9 49.8 -69.3 -35.9 2.6 11.2 20.5 41 54 A A H ><5S+ 0 0 25 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.854 105.5 56.3 -73.6 -36.4 6.3 11.9 21.0 42 55 A E H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.860 104.9 52.8 -55.9 -36.5 6.7 12.9 17.4 43 56 A L T 3<5S- 0 0 126 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.421 115.7-125.9 -80.0 0.5 3.9 15.4 18.1 44 57 A K T < 5S+ 0 0 171 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.703 77.2 121.0 59.0 28.2 6.2 16.5 21.0 45 58 A T S - 0 0 44 -2,-0.4 3,-1.2 3,-0.4 -37,-0.1 -0.773 18.1-153.3 -84.4 114.3 14.6 -10.3 28.9 55 68 A M T 3 S+ 0 0 66 -2,-0.8 -1,-0.2 -39,-0.3 -37,-0.0 0.629 91.8 48.3 -72.2 -16.2 11.8 -12.2 30.6 56 69 A Q T 3 S+ 0 0 148 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.470 123.5 32.9-101.3 0.7 13.9 -15.2 31.4 57 70 A K S < S+ 0 0 173 -3,-1.2 -3,-0.4 -36,-0.1 -1,-0.2 -0.415 82.5 175.2-141.3 62.9 16.7 -13.0 32.9 58 71 A P 0 0 77 0, 0.0 -3,-0.1 0, 0.0 -5,-0.1 -0.521 360.0 360.0 -75.0 134.7 14.9 -10.0 34.4 59 72 A P 0 0 165 0, 0.0 -6,-0.0 0, 0.0 0, 0.0 0.528 360.0 360.0 -81.2 360.0 17.0 -7.5 36.3 60 ! 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 61 78 A N 0 0 192 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -41.9 8.1 -3.8 41.5 62 79 A F > - 0 0 59 1,-0.2 3,-0.7 3,-0.1 2,-0.5 0.639 360.0-172.6-120.5 -28.4 5.7 -5.5 39.1 63 80 A E T 3 + 0 0 198 1,-0.2 -1,-0.2 2,-0.0 0, 0.0 -0.568 69.4 3.4 68.3-114.6 5.6 -9.1 40.3 64 81 A A T 3 S+ 0 0 87 -2,-0.5 2,-0.4 2,-0.1 -1,-0.2 0.377 99.1 115.0 -91.6 4.1 3.7 -11.4 38.0 65 82 A T < - 0 0 33 -3,-0.7 14,-0.1 1,-0.0 -3,-0.1 -0.612 53.6-144.2 -86.9 131.3 2.8 -8.9 35.2 66 83 A H - 0 0 106 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.0 -0.592 37.6 -60.4 -83.8 147.6 4.2 -9.3 31.6 67 84 A P S S+ 0 0 7 0, 0.0 -53,-0.2 0, 0.0 -37,-0.1 -0.185 93.6 76.3 -53.7 157.6 5.3 -6.4 29.4 68 85 A P + 0 0 0 0, 0.0 2,-0.4 0, 0.0 -54,-0.2 0.573 59.7 163.9 -78.5 156.3 4.2 -4.1 28.1 69 86 A I E -B 13 0A 5 -56,-1.3 -56,-3.0 -2,-0.1 2,-0.5 -0.996 25.3-147.4-134.7 133.5 4.1 -1.9 31.2 70 87 A L E -BC 12 77A 0 7,-2.2 7,-3.4 -2,-0.4 2,-0.6 -0.908 8.8-163.3-110.7 125.7 3.7 1.9 30.9 71 88 A I E +BC 11 76A 29 -60,-3.0 -60,-2.6 -2,-0.5 2,-0.5 -0.957 9.1 178.7-116.3 118.1 5.4 4.1 33.5 72 89 A D E > S-BC 10 75A 34 3,-2.4 3,-1.7 -2,-0.6 -62,-0.1 -0.951 74.9 -35.8-120.9 101.7 4.1 7.7 33.8 73 90 A N T 3 S- 0 0 163 -64,-0.7 -1,-0.1 -2,-0.5 3,-0.1 0.931 124.8 -41.0 41.1 65.5 6.0 9.6 36.6 74 91 A G T 3 S+ 0 0 76 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.221 113.9 114.1 76.5 -15.5 6.3 6.6 39.0 75 92 A L E < -C 72 0A 99 -3,-1.7 -3,-2.4 2,-0.0 2,-0.6 -0.788 56.1-152.4 -85.3 124.8 2.8 5.3 38.3 76 93 A A E -C 71 0A 38 -2,-0.5 2,-0.6 -5,-0.2 -5,-0.2 -0.914 5.1-156.4-108.4 119.8 3.0 1.9 36.6 77 94 A I E +C 70 0A 22 -7,-3.4 -7,-2.2 -2,-0.6 6,-0.0 -0.838 19.4 171.2 -91.6 121.3 0.1 0.8 34.3 78 95 A L + 0 0 63 -2,-0.6 2,-0.4 -9,-0.2 -1,-0.1 0.761 48.6 72.8-107.6 -34.1 0.2 -3.0 34.2 79 96 A E S > S- 0 0 114 1,-0.1 4,-2.0 -14,-0.1 3,-0.5 -0.748 74.7-133.9 -88.9 135.7 -2.9 -4.3 32.4 80 97 A N H > S+ 0 0 49 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.895 105.5 53.3 -56.4 -44.4 -3.0 -3.8 28.6 81 98 A E H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.865 111.0 48.3 -59.4 -34.0 -6.6 -2.5 28.5 82 99 A K H > S+ 0 0 109 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.832 105.4 57.5 -76.6 -32.4 -5.6 0.1 31.2 83 100 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.932 110.0 45.5 -59.1 -48.3 -2.5 1.1 29.2 84 101 A E H X S+ 0 0 56 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.954 113.0 48.7 -55.1 -53.2 -4.8 2.0 26.3 85 102 A R H X S+ 0 0 158 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.897 112.4 50.3 -56.4 -42.4 -7.3 3.8 28.5 86 103 A H H X>S+ 0 0 14 -4,-2.8 4,-2.4 2,-0.2 5,-0.9 0.906 110.2 48.2 -64.9 -43.4 -4.3 5.7 30.1 87 104 A I H X5S+ 0 0 0 -4,-2.5 4,-1.0 3,-0.2 7,-0.3 0.955 116.6 44.5 -60.8 -46.4 -2.9 6.7 26.7 88 105 A M H <5S+ 0 0 41 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.893 126.6 26.7 -64.4 -46.6 -6.3 7.9 25.6 89 106 A K H <5S+ 0 0 89 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.864 130.9 28.9 -90.4 -37.2 -7.4 9.7 28.7 90 107 A N H <5S+ 0 0 105 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.599 98.6 78.3-107.9 -15.1 -4.2 10.9 30.4 91 108 A I S >< S+ 0 0 20 -5,-0.1 4,-1.2 -48,-0.1 3,-0.3 0.086 93.1 111.2 97.5 -17.5 -2.5 13.9 22.2 94 111 A G H <> + 0 0 0 -3,-2.6 4,-2.2 -7,-0.3 -5,-0.1 0.805 69.2 53.5 -63.9 -42.2 -4.2 10.7 23.3 95 112 A Y H 4 S+ 0 0 146 -4,-0.3 -1,-0.2 1,-0.2 -7,-0.1 0.870 109.6 49.0 -61.9 -40.8 -7.8 11.7 22.5 96 113 A N H 4 S+ 0 0 138 -3,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.789 111.3 50.7 -66.0 -29.9 -7.0 12.6 19.0 97 114 A L H < S+ 0 0 10 -4,-1.2 59,-2.8 1,-0.2 2,-1.6 0.868 101.5 63.0 -79.4 -36.6 -5.1 9.3 18.5 98 115 A F S < S- 0 0 17 -4,-2.2 -1,-0.2 57,-0.2 57,-0.1 -0.490 80.2-173.7 -88.2 67.4 -8.1 7.2 19.8 99 116 A V - 0 0 53 -2,-1.6 2,-0.7 -3,-0.3 -3,-0.1 -0.253 27.8-118.0 -55.7 144.7 -10.5 8.2 17.0 100 117 A Q + 0 0 176 4,-0.0 2,-0.1 5,-0.0 -1,-0.1 -0.848 56.3 140.9 -89.8 112.4 -14.1 6.9 17.6 101 118 A D > + 0 0 28 -2,-0.7 4,-2.2 1,-0.1 3,-0.2 -0.626 23.2 178.4-153.6 88.4 -14.9 4.6 14.7 102 119 A K H > S+ 0 0 184 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.815 84.4 62.4 -62.9 -30.8 -16.9 1.5 15.6 103 120 A E H > S+ 0 0 123 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 107.3 42.2 -56.6 -49.8 -16.9 0.5 12.0 104 121 A V H > S+ 0 0 0 -3,-0.2 4,-1.9 2,-0.2 5,-0.2 0.901 111.5 54.8 -67.8 -44.7 -13.1 0.2 12.0 105 122 A A H X S+ 0 0 38 -4,-2.2 4,-1.2 1,-0.2 3,-0.2 0.949 113.3 42.5 -52.2 -47.4 -13.0 -1.5 15.4 106 123 A T H < S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.889 108.9 60.8 -70.5 -37.3 -15.4 -4.2 14.1 107 124 A L H < S+ 0 0 31 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.870 114.5 31.8 -51.8 -47.4 -13.5 -4.4 10.8 108 125 A I H >< S+ 0 0 3 -4,-1.9 3,-1.5 -3,-0.2 4,-0.3 0.569 88.2 124.7 -95.8 -8.2 -10.2 -5.5 12.4 109 126 A E T 3< S+ 0 0 117 -4,-1.2 -3,-0.0 1,-0.2 -4,-0.0 -0.219 79.0 7.3 -55.1 138.4 -11.5 -7.5 15.4 110 127 A N T 3> S+ 0 0 105 1,-0.1 4,-1.1 3,-0.0 -1,-0.2 0.575 84.3 130.1 69.4 15.0 -10.3 -11.1 15.7 111 128 A L H <> + 0 0 2 -3,-1.5 4,-1.3 1,-0.2 3,-0.5 0.959 69.0 53.9 -64.2 -44.0 -7.8 -10.8 12.9 112 129 A Y H > S+ 0 0 32 -4,-0.3 4,-2.6 1,-0.2 3,-0.5 0.888 99.6 56.8 -63.1 -40.7 -5.0 -12.2 15.0 113 130 A V H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 103.6 58.6 -59.2 -30.3 -6.7 -15.5 16.1 114 131 A K H X S+ 0 0 67 -4,-1.1 4,-1.4 -3,-0.5 -1,-0.2 0.893 106.4 46.8 -63.0 -40.9 -7.1 -16.2 12.4 115 132 A L H X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.5 3,-0.4 0.955 110.6 53.1 -63.8 -50.8 -3.3 -16.0 11.9 116 133 A K H X S+ 0 0 93 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.897 108.6 48.2 -48.5 -46.5 -2.8 -18.2 14.9 117 134 A L H < S+ 0 0 80 -4,-2.6 3,-0.4 1,-0.2 4,-0.4 0.832 109.3 53.8 -68.3 -32.0 -5.1 -20.9 13.6 118 135 A M H >< S+ 0 0 0 -4,-1.4 3,-0.8 -3,-0.4 -1,-0.2 0.848 103.2 56.6 -69.0 -32.8 -3.5 -20.9 10.2 119 136 A L H 3< S+ 0 0 5 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.700 81.3 86.0 -76.3 -19.2 -0.0 -21.5 11.6 120 137 A V T 3< S- 0 0 100 -4,-0.7 2,-0.2 -3,-0.4 -1,-0.2 0.827 115.9 -40.5 -47.4 -44.0 -1.0 -24.7 13.4 121 138 A K S < S- 0 0 133 -3,-0.8 2,-0.2 -4,-0.4 -1,-0.2 -0.884 83.9 -60.4-173.1 169.1 -0.2 -26.5 10.2 122 139 A K + 0 0 139 -2,-0.2 2,-0.3 53,-0.2 -3,-0.1 -0.374 64.2 153.7 -63.8 121.6 -0.7 -26.0 6.4 123 140 A D > - 0 0 50 -5,-0.2 4,-2.2 -2,-0.2 3,-0.4 -0.832 33.0-160.2-155.3 105.5 -4.5 -25.8 5.9 124 141 A E H > S+ 0 0 125 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.751 94.1 58.2 -60.8 -29.4 -5.9 -23.9 2.9 125 142 A A H > S+ 0 0 73 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.915 109.7 43.9 -67.8 -37.9 -9.3 -23.6 4.5 126 143 A K H > S+ 0 0 86 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.895 113.0 52.9 -72.7 -35.8 -7.7 -21.8 7.4 127 144 A N H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.932 108.8 49.7 -60.7 -47.1 -5.6 -19.7 5.0 128 145 A N H X S+ 0 0 78 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.777 104.0 58.2 -71.9 -25.5 -8.6 -18.6 3.1 129 146 A A H X S+ 0 0 47 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.898 110.4 43.7 -65.6 -43.1 -10.5 -17.6 6.3 130 147 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 -16,-0.2 3,-0.3 0.917 112.2 54.3 -63.9 -42.3 -7.6 -15.2 7.0 131 148 A L H X S+ 0 0 37 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.905 103.1 55.5 -60.7 -39.9 -7.6 -14.1 3.4 132 149 A S H X S+ 0 0 63 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.881 108.3 49.0 -59.4 -38.9 -11.4 -13.3 3.5 133 150 A H H X S+ 0 0 11 -4,-1.1 4,-2.1 -3,-0.3 -1,-0.2 0.913 109.8 50.6 -66.4 -44.8 -10.7 -10.9 6.5 134 151 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.821 106.9 56.7 -64.3 -33.8 -7.8 -9.1 4.7 135 152 A R H X S+ 0 0 117 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.910 105.4 50.1 -60.9 -43.5 -10.2 -8.7 1.7 136 153 A K H X S+ 0 0 125 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.933 112.5 46.8 -58.6 -46.2 -12.6 -6.9 3.9 137 154 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.948 112.2 50.6 -63.3 -44.9 -9.8 -4.6 5.1 138 155 A N H X S+ 0 0 8 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.918 110.7 48.2 -54.7 -45.1 -8.7 -4.1 1.6 139 156 A D H X S+ 0 0 66 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.911 109.6 52.7 -73.5 -37.5 -12.2 -3.1 0.4 140 157 A H H X S+ 0 0 20 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.965 112.2 45.8 -49.4 -57.7 -12.6 -0.7 3.4 141 158 A L H X>S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 5,-0.5 0.888 113.4 49.4 -54.8 -44.6 -9.3 1.0 2.4 142 159 A S H <5S+ 0 0 66 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.908 113.2 46.8 -63.1 -43.5 -10.3 1.1 -1.3 143 160 A A H <5S+ 0 0 88 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.907 117.9 41.8 -68.9 -39.7 -13.8 2.6 -0.5 144 161 A R H <5S- 0 0 83 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.818 85.2-160.1 -77.6 -29.8 -12.3 5.2 1.9 145 162 A N T <5 + 0 0 123 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.1 0.886 44.0 133.2 42.7 46.9 -9.3 6.1 -0.3 146 163 A T < - 0 0 41 -5,-0.5 -1,-0.2 2,-0.2 6,-0.2 -0.786 69.9-115.8-114.9 163.0 -7.5 7.6 2.7 147 164 A R S S+ 0 0 105 -2,-0.3 5,-0.2 -3,-0.1 2,-0.2 0.908 97.4 25.3 -68.4 -40.4 -3.8 6.8 3.5 148 165 A F S S- 0 0 14 3,-2.8 3,-0.5 5,-0.1 -2,-0.2 -0.488 100.1 -83.5-120.5-174.9 -4.8 5.1 6.8 149 166 A L S S+ 0 0 0 1,-0.2 3,-0.1 -2,-0.2 5,-0.1 0.829 123.8 19.6 -63.2 -36.3 -7.8 3.3 8.3 150 167 A T S S- 0 0 35 3,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.355 132.1 -48.0-116.5 7.1 -9.8 6.4 9.4 151 168 A G S S- 0 0 17 -3,-0.5 -3,-2.8 2,-0.1 -1,-0.2 -0.984 82.8 -48.4 155.8-159.8 -8.2 9.2 7.3 152 169 A D S S+ 0 0 116 -2,-0.3 2,-0.3 -5,-0.2 -3,-0.1 0.499 112.3 70.9 -88.5 -2.2 -4.8 10.6 6.3 153 170 A T S S- 0 0 112 -5,-0.1 -3,-0.4 1,-0.0 -5,-0.1 -0.887 90.7-103.0-109.9 144.6 -3.5 10.6 9.8 154 171 A M - 0 0 14 -2,-0.3 2,-0.3 -6,-0.1 -2,-0.1 -0.339 41.4-177.7 -60.2 137.4 -2.5 7.6 11.9 155 172 A C >> - 0 0 0 -4,-0.1 4,-1.6 -57,-0.1 3,-0.9 -0.818 44.4 -86.8-126.6-179.3 -4.9 6.4 14.7 156 173 A C H 3> S+ 0 0 7 -59,-2.8 4,-1.1 -2,-0.3 -58,-0.1 0.779 123.0 57.6 -49.0 -38.8 -5.0 3.8 17.4 157 174 A F H 3> S+ 0 0 29 -60,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.842 102.5 54.1 -71.9 -32.7 -6.5 1.2 15.0 158 175 A D H <> S+ 0 0 0 -3,-0.9 4,-3.1 2,-0.2 -2,-0.2 0.916 105.6 52.7 -63.2 -43.3 -3.5 1.5 12.6 159 176 A C H < S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.773 113.7 44.3 -68.4 -20.6 -1.1 0.8 15.4 160 177 A E H X S+ 0 0 48 -4,-1.1 4,-1.0 2,-0.1 -1,-0.2 0.867 118.6 43.0 -82.6 -41.5 -3.2 -2.4 16.2 161 178 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.916 106.3 57.7 -71.8 -45.7 -3.5 -3.4 12.5 162 179 A M H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.1 0.910 104.5 49.4 -61.3 -47.2 0.1 -2.8 11.2 163 180 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.941 112.1 50.2 -58.4 -37.2 1.9 -5.1 13.6 164 181 A R H X S+ 0 0 21 -4,-1.0 4,-2.5 1,-0.2 -2,-0.2 0.910 107.6 53.5 -69.5 -36.1 -0.6 -7.9 12.8 165 182 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.937 108.5 51.1 -61.0 -39.4 -0.1 -7.4 9.0 166 183 A Q H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.936 110.3 46.3 -66.6 -40.9 3.7 -7.8 9.6 167 184 A H H X>S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-1.1 0.906 112.3 53.7 -66.7 -38.8 3.3 -11.1 11.6 168 185 A I H X5S+ 0 0 1 -4,-2.5 4,-1.2 -5,-0.2 5,-0.4 0.956 113.4 41.8 -56.1 -50.6 0.9 -12.3 8.8 169 186 A R H X5S+ 0 0 16 -4,-2.9 4,-1.7 3,-0.2 5,-0.3 0.952 124.1 35.3 -61.8 -54.4 3.5 -11.6 6.1 170 187 A V H X5S+ 0 0 5 -4,-3.0 4,-2.2 -5,-0.2 5,-0.2 0.958 128.5 30.7 -72.6 -51.4 6.5 -12.9 8.0 171 188 A A H X>S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 5,-0.5 0.873 117.1 58.4 -77.6 -40.7 5.2 -15.9 9.9 172 189 A G H X - 0 0 29 0, 0.0 3,-1.5 0, 0.0 7,-0.1 -0.177 10.4-123.9 -71.7 155.6 -2.2 -11.7 -2.9 182 199 A T T 3 S+ 0 0 76 1,-0.3 6,-0.1 52,-0.1 -2,-0.0 0.660 102.0 71.0 -70.9 -15.8 -1.3 -9.0 -5.3 183 200 A H T 3 S+ 0 0 115 1,-0.2 2,-1.7 2,-0.1 -1,-0.3 0.545 72.5 90.6 -82.4 0.0 -4.9 -8.0 -6.2 184 201 A L <> + 0 0 1 -3,-1.5 4,-2.3 1,-0.2 3,-0.3 -0.447 56.0 164.0 -86.8 64.2 -5.4 -6.6 -2.8 185 202 A T H > + 0 0 63 -2,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.841 66.4 47.4 -55.7 -43.2 -4.2 -3.2 -4.2 186 203 A A H > S+ 0 0 6 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.865 113.5 49.8 -71.0 -36.0 -5.4 -0.9 -1.3 187 204 A L H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.899 110.9 48.1 -66.2 -41.9 -4.0 -3.2 1.3 188 205 A W H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.919 111.4 51.6 -68.9 -34.9 -0.6 -3.4 -0.4 189 206 A R H X S+ 0 0 78 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.905 108.3 51.5 -66.9 -39.2 -0.7 0.4 -0.7 190 207 A Y H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.933 111.6 46.6 -61.5 -46.1 -1.4 0.7 3.0 191 208 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.897 106.3 59.0 -64.7 -36.4 1.6 -1.6 3.8 192 209 A Y H X S+ 0 0 89 -4,-2.6 4,-0.6 1,-0.2 3,-0.4 0.967 110.2 43.0 -55.2 -50.7 3.7 0.5 1.5 193 210 A H H >< S+ 0 0 22 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.808 107.1 61.5 -63.6 -34.6 2.9 3.5 3.6 194 211 A M H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 7,-0.3 0.869 101.8 51.8 -59.2 -35.4 3.5 1.4 6.8 195 212 A Y H 3< S+ 0 0 28 -4,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.649 106.2 54.6 -77.5 -16.6 7.0 0.8 5.8 196 213 A Q T << S+ 0 0 101 -3,-0.7 2,-0.6 -4,-0.6 -1,-0.2 0.428 89.0 100.8 -87.1 -3.9 7.6 4.6 5.3 197 214 A L X> - 0 0 26 -3,-1.0 4,-2.6 -4,-0.3 3,-0.6 -0.730 63.1-153.3 -93.7 122.7 6.3 5.3 8.8 198 215 A D H 3> S+ 0 0 85 -2,-0.6 4,-2.9 1,-0.3 5,-0.3 0.879 96.7 56.7 -57.8 -39.1 8.9 6.0 11.5 199 216 A A H 3> S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.854 113.1 42.9 -61.4 -38.1 6.6 4.8 14.3 200 217 A F H X> S+ 0 0 4 -3,-0.6 4,-1.3 -6,-0.2 3,-0.7 0.972 116.7 42.2 -69.7 -55.6 6.4 1.5 12.5 201 218 A T H 3< S+ 0 0 55 -4,-2.6 3,-0.3 -7,-0.3 -2,-0.2 0.894 113.8 53.0 -67.2 -36.7 10.0 1.0 11.4 202 219 A Q H 3< S+ 0 0 99 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.805 119.2 35.2 -63.3 -27.8 11.3 2.1 14.8 203 220 A S H << S+ 0 0 3 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.524 90.4 112.0-105.0 -6.2 9.0 -0.4 16.6 204 221 A C < - 0 0 5 -4,-1.3 -180,-0.1 -3,-0.3 2,-0.1 -0.501 61.4-135.3 -77.4 126.5 9.1 -3.3 14.2 205 222 A P - 0 0 2 0, 0.0 -180,-0.1 0, 0.0 -2,-0.1 -0.435 29.9 -95.1 -73.4 157.0 10.8 -6.4 15.3 206 223 A A >> - 0 0 3 -182,-0.3 4,-2.0 1,-0.1 3,-1.0 -0.321 32.8-112.6 -58.8 151.9 13.2 -8.3 13.0 207 224 A D H 3> S+ 0 0 19 21,-2.3 4,-2.8 1,-0.3 5,-0.2 0.864 116.3 58.0 -50.3 -47.2 11.8 -11.2 10.9 208 225 A Q H 3> S+ 0 0 13 20,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.831 106.7 48.0 -58.0 -34.3 13.9 -13.7 12.9 209 226 A D H <> S+ 0 0 2 -3,-1.0 4,-2.2 2,-0.2 -183,-0.3 0.861 110.5 49.8 -75.5 -40.7 12.3 -12.6 16.1 210 227 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.971 115.8 45.0 -59.1 -50.9 8.8 -12.8 14.7 211 228 A I H X S+ 0 0 24 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.936 112.5 48.8 -57.1 -49.4 9.6 -16.3 13.5 212 229 A N H X S+ 0 0 13 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.909 104.9 61.9 -58.6 -41.0 11.3 -17.4 16.7 213 230 A H H X S+ 0 0 48 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.930 110.9 38.0 -49.2 -53.7 8.3 -16.1 18.6 214 231 A Y H X S+ 0 0 1 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.790 110.8 59.8 -69.4 -29.9 6.1 -18.6 16.8 215 232 A K H >X>S+ 0 0 34 -4,-2.2 5,-1.8 2,-0.2 4,-0.6 0.958 107.0 46.4 -63.0 -46.5 8.7 -21.4 16.9 216 233 A L H ><5S+ 0 0 70 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.899 108.4 56.7 -62.5 -39.1 8.7 -21.3 20.7 217 234 A Q H 3<5S+ 0 0 105 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.839 116.0 36.2 -56.6 -34.1 4.9 -21.3 20.7 218 235 A Q H <<5S- 0 0 64 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.323 111.1-124.2-104.0 4.0 5.1 -24.5 18.7 219 236 A S T <<5 + 0 0 111 -3,-0.9 -3,-0.2 -4,-0.6 2,-0.2 0.838 61.4 139.1 55.3 43.0 8.1 -25.8 20.6 220 237 A L < 0 0 78 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.0 -0.485 360.0 360.0 -96.8 172.4 10.3 -26.4 17.5 221 238 A K 0 0 171 -2,-0.2 -1,-0.1 -5,-0.0 -5,-0.0 -0.427 360.0 360.0-155.7 360.0 14.0 -25.7 16.9 222 ! 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 0.0 223 244 A E 0 0 171 0, 0.0 -204,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.9 21.4 -17.0 17.2 224 245 A L + 0 0 166 2,-0.1 2,-0.4 3,-0.0 0, 0.0 0.276 360.0 120.1 -98.2 7.2 24.0 -15.7 14.7 225 246 A E - 0 0 131 1,-0.1 3,-0.1 -17,-0.0 -17,-0.0 -0.652 69.9-123.5 -74.7 124.1 21.5 -14.9 11.9 226 247 A T - 0 0 114 -2,-0.4 -18,-0.1 1,-0.1 -2,-0.1 -0.544 34.3-102.0 -70.8 131.0 21.8 -11.2 11.3 227 248 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.306 44.2-176.7 -56.2 134.6 18.4 -9.5 11.8 228 249 A T - 0 0 74 -3,-0.1 -21,-2.3 2,-0.0 2,-0.4 -0.891 16.5-139.1-128.9 162.1 16.5 -8.6 8.6 229 250 A F - 0 0 109 -2,-0.3 2,-0.5 -23,-0.2 -23,-0.1 -0.986 13.3-132.8-125.0 118.6 13.2 -6.8 8.0 230 251 A T + 0 0 21 -2,-0.4 -60,-0.1 1,-0.2 -61,-0.1 -0.592 47.7 142.0 -65.7 121.8 10.6 -7.8 5.4 231 252 A T + 0 0 79 -2,-0.5 -1,-0.2 2,-0.0 -36,-0.1 0.358 23.4 124.1-140.4 -1.1 9.6 -4.6 3.6 232 253 A Y - 0 0 107 2,-0.0 -2,-0.0 1,-0.0 -37,-0.0 -0.317 46.0-149.4 -74.6 154.2 9.1 -5.4 -0.1 233 254 A I - 0 0 36 2,-0.1 4,-0.1 1,-0.1 -1,-0.0 -0.983 7.8-148.2-118.8 123.2 5.9 -4.7 -2.0 234 255 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -52,-0.1 0.458 78.1 48.0 -74.8 1.9 5.1 -7.3 -4.8 235 256 A I S S- 0 0 42 -50,-0.1 2,-0.2 -47,-0.1 -2,-0.1 -0.900 90.3 -98.6-134.6 163.9 3.4 -4.6 -6.9 236 257 A D 0 0 162 -2,-0.3 -47,-0.1 1,-0.0 0, 0.0 -0.601 360.0 360.0 -75.2 146.1 3.9 -1.1 -8.2 237 258 A I 0 0 93 -2,-0.2 -1,-0.0 -4,-0.1 -52,-0.0 -0.759 360.0 360.0-102.9 360.0 2.1 1.5 -6.1