==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 14-OCT-05 2BAS . COMPND 2 MOLECULE: YKUI PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR G.MINASOV,J.S.BRUNZELLE,L.SHUVALOVA,D.J.MILLER,F.R.COLLART, . 799 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 598 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 44 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 268 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 5 0 2 2 1 1 0 4 3 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 1 5 4 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 . 5 8 0 3 1 2 2 0 2 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 . 3 0 0 0 1 1 0 0 0 1 1 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 2 A L 0 0 107 0, 0.0 38,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.2 8.9 73.9 95.6 2 3 A D > - 0 0 93 1,-0.1 4,-1.3 4,-0.0 3,-0.3 -0.482 360.0-124.1 -70.2 143.2 10.8 76.6 97.4 3 4 A P H > S+ 0 0 36 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.792 114.4 58.2 -57.0 -26.8 14.6 76.0 97.8 4 5 A L H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.860 98.3 56.5 -71.9 -37.2 13.9 76.4 101.6 5 6 A D H > S+ 0 0 80 -3,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.862 112.8 43.6 -61.2 -35.9 11.4 73.6 101.6 6 7 A I H < S+ 0 0 3 -4,-1.3 -2,-0.2 2,-0.1 -1,-0.2 0.927 112.5 50.8 -73.2 -47.2 14.1 71.3 100.2 7 8 A L H >< S+ 0 0 33 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.856 112.5 42.6 -65.7 -40.4 17.0 72.5 102.5 8 9 A T H 3< S+ 0 0 104 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.719 116.9 49.5 -80.1 -18.9 15.3 72.2 105.8 9 10 A N T >X + 0 0 75 -4,-0.6 3,-2.1 -5,-0.3 4,-0.7 -0.059 69.5 137.6-102.7 32.3 13.8 68.8 104.8 10 11 A I T <4 + 0 0 17 -3,-0.9 3,-0.3 1,-0.3 -1,-0.2 0.709 64.3 64.8 -51.9 -21.4 17.2 67.6 103.6 11 12 A D T 34 S+ 0 0 120 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.774 93.0 57.4 -74.5 -29.2 16.3 64.2 105.3 12 13 A D T <4 S+ 0 0 74 -3,-2.1 26,-0.8 -6,-0.2 -1,-0.2 0.689 84.3 110.8 -73.6 -19.6 13.3 63.4 103.0 13 14 A V E < +A 37 0A 2 -4,-0.7 24,-0.2 -3,-0.3 22,-0.0 -0.248 45.6 168.5 -57.4 140.3 15.7 63.7 100.0 14 15 A L E -A 36 0A 42 22,-2.5 22,-2.3 56,-0.0 2,-0.3 -0.992 33.6-108.6-153.5 154.2 16.4 60.4 98.2 15 16 A P E -A 35 0A 10 0, 0.0 2,-0.3 0, 0.0 20,-0.2 -0.664 26.4-165.9 -82.9 142.6 18.0 58.9 95.1 16 17 A Y E -A 34 0A 25 18,-3.0 18,-2.8 -2,-0.3 2,-0.3 -0.731 12.2-141.0-111.6 172.7 15.9 57.3 92.3 17 18 A Y E -AB 33 233A 10 216,-3.0 216,-2.5 -2,-0.3 2,-0.4 -0.985 14.0-164.4-139.6 147.1 17.3 55.0 89.5 18 19 A Q E -A 32 0A 21 14,-1.5 14,-2.4 -2,-0.3 213,-0.1 -0.988 28.3-125.0-131.1 124.6 16.8 54.4 85.8 19 20 A A E -A 31 0A 2 -2,-0.4 2,-0.4 212,-0.3 207,-0.4 -0.288 13.9-148.6 -69.2 147.5 18.2 51.2 84.2 20 21 A I E -A 30 0A 0 10,-2.2 9,-2.7 205,-0.1 10,-0.9 -0.979 19.4-135.4-119.2 133.5 20.5 51.3 81.2 21 22 A F E -AC 28 224A 1 203,-2.8 203,-1.5 -2,-0.4 7,-0.2 -0.710 2.5-131.3-105.9 140.1 20.3 48.4 78.8 22 23 A S E - C 0 223A 1 5,-3.3 201,-0.2 -2,-0.3 200,-0.0 -0.456 4.1-155.5 -77.3 148.7 22.9 46.3 77.0 23 24 A A S S+ 0 0 1 199,-1.0 722,-0.1 -2,-0.1 -1,-0.1 0.826 91.9 49.8 -91.5 -37.8 22.7 45.7 73.3 24 25 A E S S+ 0 0 9 198,-0.3 721,-1.2 720,-0.1 2,-0.2 0.985 129.0 17.9 -65.9 -65.5 24.7 42.4 73.2 25 26 A E S S- 0 0 27 719,-0.2 2,-0.5 2,-0.1 719,-0.1 -0.601 93.2-122.1 -85.6 164.7 22.8 40.7 76.0 26 27 A Q S S+ 0 0 9 -2,-0.2 216,-0.3 -5,-0.1 2,-0.2 -0.439 71.9 116.1-106.6 61.0 19.5 42.5 76.5 27 28 A K S S- 0 0 58 -2,-0.5 -5,-3.3 215,-0.1 2,-0.3 -0.772 73.2 -84.6-129.2 168.1 20.2 43.3 80.1 28 29 A V E +A 21 0A 0 211,-1.7 -7,-0.2 -2,-0.2 3,-0.1 -0.538 34.2 175.2 -74.3 128.6 20.8 46.1 82.7 29 30 A V E - 0 0 15 -9,-2.7 54,-3.2 1,-0.3 2,-0.3 0.534 64.9 -34.1-108.9 -15.0 24.4 47.2 82.8 30 31 A G E -Ad 20 83A 0 -10,-0.9 -10,-2.2 52,-0.3 2,-0.3 -0.968 57.4-106.8 179.4-170.8 23.9 50.0 85.3 31 32 A Y E -Ad 19 84A 4 52,-1.6 54,-1.7 -2,-0.3 2,-0.3 -0.994 21.6-126.7-143.1 134.0 21.6 52.8 86.6 32 33 A E E -Ad 18 85A 16 -14,-2.4 -14,-1.5 -2,-0.3 2,-0.6 -0.641 32.6-125.7 -74.4 139.1 21.6 56.5 86.2 33 34 A V E -A 17 0A 21 52,-2.9 54,-0.5 -2,-0.3 2,-0.3 -0.827 31.0-167.2 -91.8 117.5 21.4 58.1 89.7 34 35 A L E -A 16 0A 28 -18,-2.8 -18,-3.0 -2,-0.6 2,-0.4 -0.829 16.6-123.9-112.2 144.1 18.5 60.6 89.9 35 36 A G E +A 15 0A 18 -2,-0.3 11,-1.5 -20,-0.2 12,-0.3 -0.721 36.4 163.8 -91.5 129.6 17.6 63.2 92.5 36 37 A R E -AE 14 45A 41 -22,-2.3 -22,-2.5 -2,-0.4 2,-0.3 -0.927 23.0-154.1-139.0 164.0 14.2 63.2 94.3 37 38 A I E -AE 13 44A 2 7,-1.8 7,-2.2 -2,-0.3 2,-0.9 -0.996 16.7-137.6-140.5 132.8 12.4 64.6 97.3 38 39 A L E + E 0 43A 78 -26,-0.8 2,-0.4 -2,-0.3 5,-0.2 -0.822 38.8 165.2 -85.8 106.7 9.3 63.3 99.2 39 40 A A E > - E 0 42A 14 3,-2.3 3,-0.9 -2,-0.9 -2,-0.1 -0.997 63.0 -9.7-132.3 130.2 7.3 66.4 99.8 40 41 A D T 3 S- 0 0 157 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.886 129.8 -54.3 47.4 48.5 3.6 66.5 100.9 41 42 A S T 3 S+ 0 0 119 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.751 118.5 99.2 60.2 34.0 3.4 62.7 100.3 42 43 A E E < S-E 39 0A 134 -3,-0.9 -3,-2.3 -5,-0.1 2,-0.4 -0.985 72.6-118.9-150.6 137.2 4.6 62.8 96.7 43 44 A I E -E 38 0A 58 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.589 39.5-178.4 -73.9 126.9 7.9 62.1 94.9 44 45 A Q E -E 37 0A 78 -7,-2.2 -7,-1.8 -2,-0.4 2,-0.1 -0.956 27.7-102.3-132.4 148.5 9.2 65.2 93.1 45 46 A S E -E 36 0A 63 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.365 10.8-156.5 -66.6 143.6 12.2 66.1 90.9 46 47 A L S >> S+ 0 0 0 -11,-1.5 4,-1.9 1,-0.1 3,-1.4 0.343 75.6 95.9 -95.5 1.2 15.1 68.1 92.2 47 48 A G H 3> S+ 0 0 33 -12,-0.3 4,-1.6 1,-0.3 5,-0.2 0.937 76.2 56.3 -55.6 -54.8 15.9 69.2 88.7 48 49 A P H 34 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.459 112.2 48.4 -57.6 0.9 14.1 72.6 89.0 49 50 A F H <4 S+ 0 0 6 -3,-1.4 -2,-0.2 2,-0.1 3,-0.2 0.763 106.5 49.2-109.3 -45.4 16.4 73.1 92.0 50 51 A F H < S+ 0 0 51 -4,-1.9 -3,-0.1 1,-0.2 10,-0.0 0.657 113.5 51.8 -69.0 -17.3 19.9 72.2 90.5 51 52 A L S < S+ 0 0 153 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 0.756 82.1 110.9 -86.2 -31.5 19.1 74.5 87.6 52 53 A D - 0 0 70 -5,-0.2 3,-0.3 -3,-0.2 -3,-0.1 -0.170 55.0-156.4 -53.3 134.3 18.1 77.5 89.7 53 54 A A S S+ 0 0 99 1,-0.2 -1,-0.1 3,-0.0 -4,-0.0 0.733 84.4 59.5 -88.7 -25.0 20.6 80.3 89.4 54 55 A G S S+ 0 0 68 2,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.439 82.0 94.7 -85.5 -2.1 20.0 82.2 92.7 55 56 A I S S- 0 0 12 -3,-0.3 5,-0.1 -6,-0.2 -6,-0.0 -0.851 79.5-125.9 -93.8 113.3 20.8 79.2 94.9 56 57 A P >> - 0 0 56 0, 0.0 4,-1.1 0, 0.0 3,-0.8 -0.148 19.1-114.9 -57.9 154.1 24.5 79.4 96.0 57 58 A E H 3> S+ 0 0 92 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.818 109.2 72.7 -64.6 -35.3 26.7 76.3 95.3 58 59 A E H 3> S+ 0 0 136 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.904 105.1 40.5 -37.0 -53.1 27.1 75.6 99.0 59 60 A Y H <> S+ 0 0 94 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.785 111.6 52.8 -76.9 -33.0 23.5 74.5 99.1 60 61 A K H X S+ 0 0 17 -4,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.916 111.6 48.3 -68.0 -42.5 23.4 72.6 95.8 61 62 A L H X S+ 0 0 50 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.866 106.5 57.4 -65.0 -38.4 26.5 70.6 96.9 62 63 A E H X S+ 0 0 92 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.894 113.3 39.1 -57.7 -43.5 24.9 69.8 100.3 63 64 A V H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 3,-0.3 0.942 114.6 53.3 -71.8 -48.7 21.9 68.2 98.6 64 65 A D H X S+ 0 0 22 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.910 107.4 52.1 -53.1 -47.8 23.9 66.5 95.9 65 66 A N H X S+ 0 0 59 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.865 107.4 52.2 -57.9 -39.9 26.2 64.9 98.5 66 67 A R H X S+ 0 0 84 -4,-1.2 4,-2.0 -3,-0.3 5,-0.2 0.973 112.0 45.6 -62.1 -51.9 23.2 63.5 100.4 67 68 A I H X S+ 0 0 5 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.933 113.0 49.1 -55.4 -53.6 21.8 61.9 97.2 68 69 A I H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.907 110.7 49.7 -54.7 -50.1 25.1 60.4 96.0 69 70 A R H X S+ 0 0 88 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.892 110.5 49.2 -59.7 -43.8 26.0 58.8 99.4 70 71 A Q H X S+ 0 0 65 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.908 113.6 48.7 -60.0 -41.2 22.6 57.2 99.8 71 72 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 109.3 48.5 -68.2 -46.2 22.9 55.8 96.2 72 73 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.810 109.6 56.4 -66.3 -26.9 26.4 54.4 96.6 73 74 A D H < S+ 0 0 75 -4,-1.7 4,-0.3 -5,-0.3 -1,-0.2 0.940 107.5 47.4 -63.5 -47.0 25.2 52.8 99.8 74 75 A R H >X S+ 0 0 85 -4,-2.0 3,-1.5 1,-0.2 4,-0.9 0.914 110.2 52.7 -60.9 -44.1 22.4 51.1 97.8 75 76 A F H >< S+ 0 0 1 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.860 95.5 68.3 -58.2 -39.3 25.0 49.9 95.2 76 77 A L T 3< S+ 0 0 62 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.639 104.6 45.6 -56.0 -14.9 27.2 48.4 97.9 77 78 A E T <4 S+ 0 0 159 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.736 106.8 66.7 -98.3 -31.2 24.3 45.9 98.3 78 79 A A S << S- 0 0 27 -4,-0.9 -3,-0.0 -3,-0.5 2,-0.0 0.049 102.3 -40.2 -81.9-167.8 23.6 45.0 94.7 79 80 A D > - 0 0 81 1,-0.1 3,-1.2 2,-0.1 -1,-0.2 -0.277 49.0-131.4 -61.5 136.7 25.7 43.3 91.9 80 81 A S T 3 S+ 0 0 80 1,-0.2 34,-0.2 -3,-0.1 -1,-0.1 0.388 100.6 53.2 -71.2 1.9 29.4 44.1 91.9 81 82 A D T 3 S+ 0 0 86 2,-0.1 -1,-0.2 36,-0.0 2,-0.1 0.395 74.4 123.1-120.8 -1.0 29.5 44.8 88.1 82 83 A L < - 0 0 2 -3,-1.2 -52,-0.3 -7,-0.1 2,-0.2 -0.383 61.4-124.0 -64.7 136.5 26.7 47.4 87.7 83 84 A L E -d 30 0A 27 -54,-3.2 -52,-1.6 -63,-0.1 2,-0.6 -0.591 15.8-142.5 -80.2 146.9 27.7 50.7 86.1 84 85 A I E -df 31 118A 0 33,-3.1 35,-3.5 -2,-0.2 2,-0.7 -0.917 13.0-164.7-115.1 104.0 27.0 53.9 88.1 85 86 A F E +df 32 119A 0 -54,-1.7 -52,-2.9 -2,-0.6 2,-0.5 -0.796 11.1 177.1 -91.3 114.1 26.0 56.8 85.9 86 87 A X E - f 0 120A 5 33,-2.6 35,-2.3 -2,-0.7 2,-0.8 -0.965 21.5-147.4-122.1 117.4 26.2 60.1 87.8 87 88 A N E - f 0 121A 74 -2,-0.5 2,-0.4 -54,-0.5 35,-0.2 -0.729 25.4-172.8 -85.4 107.5 25.3 63.4 85.9 88 89 A Q - 0 0 10 33,-2.1 35,-0.5 -2,-0.8 2,-0.3 -0.884 26.6-119.4-114.6 132.5 27.6 66.0 87.5 89 90 A D > - 0 0 52 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.508 17.9-147.4 -67.0 120.5 27.5 69.8 86.9 90 91 A A H > S+ 0 0 0 33,-0.4 4,-2.5 -2,-0.3 -1,-0.1 0.862 96.7 52.0 -59.7 -39.9 30.9 70.8 85.5 91 92 A N H 4 S+ 0 0 43 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.920 112.2 44.7 -64.5 -45.8 30.8 74.3 87.2 92 93 A L H >4 S+ 0 0 16 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.897 115.4 50.0 -62.3 -40.3 30.1 72.8 90.6 93 94 A L H ><>S+ 0 0 6 -4,-2.4 5,-2.1 1,-0.2 3,-1.0 0.897 107.3 52.8 -64.5 -42.6 32.7 70.2 90.0 94 95 A X G ><5S+ 0 0 28 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.461 80.3 92.4 -81.0 -1.4 35.4 72.7 88.9 95 96 A L G < 5S+ 0 0 102 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.1 0.725 110.3 14.6 -61.9 -23.0 35.0 74.9 92.1 96 97 A D G X 5S- 0 0 51 -3,-1.0 3,-1.4 -4,-0.2 -1,-0.2 0.034 116.7 -97.8-139.5 24.5 37.8 72.8 93.7 97 98 A H T < 5S- 0 0 103 -3,-0.6 -3,-0.2 1,-0.3 -4,-0.1 0.826 74.2 -66.8 60.1 36.9 39.2 71.0 90.6 98 99 A G T 3> S+ 0 0 119 -3,-1.4 4,-2.5 1,-0.2 5,-0.2 0.930 70.8 41.0 -48.0 -64.8 39.3 67.2 94.5 100 101 A S H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.859 115.6 50.5 -56.7 -40.9 36.4 66.8 97.1 101 102 A F H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 111.7 47.0 -66.1 -40.7 34.2 64.7 94.7 102 103 A L H X S+ 0 0 9 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.888 110.3 54.8 -64.4 -38.4 37.1 62.3 93.8 103 104 A E H X S+ 0 0 117 -4,-2.5 4,-1.3 -5,-0.3 -2,-0.2 0.914 107.6 49.5 -57.6 -44.9 37.7 62.2 97.6 104 105 A L H X S+ 0 0 6 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.879 111.3 49.7 -60.9 -39.1 34.0 61.1 97.9 105 106 A L H >X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 3,-0.5 0.906 106.4 54.7 -67.0 -42.2 34.7 58.5 95.3 106 107 A K H 3X S+ 0 0 74 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.760 100.4 60.9 -62.9 -28.9 37.8 57.2 97.0 107 108 A E H 3X S+ 0 0 66 -4,-1.3 4,-0.6 1,-0.2 -1,-0.2 0.866 108.1 43.0 -66.6 -38.5 35.8 56.6 100.3 108 109 A Y H <<>S+ 0 0 5 -4,-0.9 5,-2.6 -3,-0.5 4,-0.2 0.640 106.8 61.0 -83.7 -15.0 33.5 54.1 98.5 109 110 A E H ><5S+ 0 0 87 -4,-1.0 3,-0.8 3,-0.2 -2,-0.2 0.863 104.5 50.8 -69.0 -38.9 36.6 52.7 96.8 110 111 A A H 3<5S+ 0 0 88 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.726 107.3 52.9 -68.8 -25.2 37.6 51.9 100.4 111 112 A K T 3<5S- 0 0 106 -4,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.472 133.3 -85.6 -91.2 -4.4 34.2 50.3 101.0 112 113 A G T < 5S+ 0 0 50 -3,-0.8 2,-0.7 -4,-0.2 -3,-0.2 0.648 84.0 129.2 113.2 18.7 34.6 48.0 98.0 113 114 A I < - 0 0 1 -5,-2.6 -1,-0.2 -8,-0.1 -2,-0.1 -0.904 54.6-132.4-105.2 109.9 33.4 49.8 94.8 114 115 A E > - 0 0 101 -2,-0.7 3,-2.1 -34,-0.2 4,-0.2 -0.354 13.1-130.7 -60.9 130.1 36.0 49.6 92.1 115 116 A L G > S+ 0 0 10 1,-0.3 3,-1.6 2,-0.2 32,-0.4 0.719 101.7 71.9 -55.7 -25.4 36.6 53.1 90.5 116 117 A H G 3 S+ 0 0 90 1,-0.3 -1,-0.3 30,-0.2 29,-0.1 0.518 85.9 68.4 -71.3 -4.5 36.1 51.7 87.0 117 118 A R G < S+ 0 0 10 -3,-2.1 -33,-3.1 -34,-0.1 2,-0.4 0.535 80.2 96.2 -89.7 -8.6 32.4 51.3 87.7 118 119 A F E < -f 84 0A 0 -3,-1.6 29,-2.6 -35,-0.2 2,-0.6 -0.707 53.6-165.9 -90.1 129.1 31.8 55.0 87.8 119 120 A V E -fg 85 147A 0 -35,-3.5 -33,-2.6 -2,-0.4 2,-0.8 -0.931 8.1-159.3-113.6 107.1 30.5 56.9 84.8 120 121 A L E -fg 86 148A 1 27,-2.8 29,-2.2 -2,-0.6 2,-0.5 -0.773 7.4-155.4 -87.1 108.4 30.9 60.6 85.2 121 122 A E E -fg 87 149A 0 -35,-2.3 -33,-2.1 -2,-0.8 2,-0.4 -0.752 12.5-168.6 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-55.3 25.8 74.6 60.8 570 165 B A H >< S+ 0 0 1 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.903 110.7 52.3 -51.4 -45.6 24.0 71.8 59.1 571 166 B L H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.898 100.7 58.5 -59.8 -44.6 20.7 73.8 59.3 572 167 B L H 3< S- 0 0 3 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.623 99.4-146.2 -59.2 -11.5 22.3 76.9 57.7 573 168 B S << - 0 0 56 -3,-1.4 -19,-0.1 -4,-0.6 -3,-0.1 0.858 22.2-156.4 44.6 54.0 22.9 74.4 54.8 574 169 B P - 0 0 1 0, 0.0 -19,-0.2 0, 0.0 3,-0.1 -0.063 23.5-142.5 -64.5 156.5 26.2 76.2 53.8 575 170 B D S S+ 0 0 46 -21,-2.5 32,-2.3 1,-0.2 2,-0.3 0.740 87.1 25.4 -83.5 -21.8 27.8 76.0 50.4 576 171 B L E -ab 555 607E 8 -22,-1.6 -20,-2.9 30,-0.3 2,-0.5 -0.999 60.2-154.6-151.2 137.1 31.2 75.9 51.9 577 172 B L E -ab 556 608E 4 30,-2.7 32,-2.4 -2,-0.3 2,-0.6 -0.971 17.7-148.3-112.0 128.2 33.0 74.9 55.1 578 173 B K E - b 0 609E 1 -22,-2.9 -19,-1.2 -2,-0.5 2,-0.5 -0.868 16.3-171.2-100.2 119.4 36.3 76.6 56.0 579 174 B I E - b 0 610E 3 30,-2.9 32,-2.8 -2,-0.6 2,-0.3 -0.924 9.5-164.4-117.0 126.1 38.8 74.5 57.9 580 175 B D E - b 0 611E 10 -2,-0.5 3,-0.3 -21,-0.3 32,-0.1 -0.802 14.8-146.7-100.0 151.4 42.1 75.6 59.5 581 176 B L >> + 0 0 0 30,-0.7 3,-1.2 -2,-0.3 4,-1.0 0.001 59.4 122.2-109.4 31.2 44.6 73.0 60.5 582 177 B Q T 34 + 0 0 78 1,-0.3 -1,-0.2 2,-0.2 3,-0.0 0.751 69.3 60.7 -65.0 -29.2 46.0 74.8 63.5 583 178 B A T 34 S+ 0 0 57 -3,-0.3 -1,-0.3 1,-0.2 7,-0.1 -0.005 106.5 50.1 -86.1 27.6 45.1 71.9 65.9 584 179 B L T <4 0 0 17 -3,-1.2 -2,-0.2 6,-0.0 -1,-0.2 0.482 360.0 360.0-131.0 -32.0 47.5 69.9 63.7 585 180 B K < 0 0 188 -4,-1.0 -3,-0.1 -3,-0.0 -2,-0.1 0.971 360.0 360.0 52.3 360.0 50.5 72.3 63.8 586 ! 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 0.0 587 185 B S 0 0 135 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 82.6 49.1 64.2 67.6 588 186 B P > + 0 0 121 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.893 360.0 58.1 -94.5 -49.9 47.3 61.1 66.4 589 187 B S T >> S+ 0 0 28 1,-0.2 4,-0.7 2,-0.1 3,-0.6 0.424 79.9 82.7 -72.4 -6.3 43.5 61.6 66.7 590 188 B Y H 3> S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.704 78.9 67.8 -77.3 -14.9 42.9 64.7 64.6 591 189 B E H <> S+ 0 0 47 -3,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.838 95.4 56.3 -73.5 -26.4 42.7 62.9 61.2 592 190 B H H <> S+ 0 0 43 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.853 103.1 56.5 -69.1 -35.0 39.5 61.2 62.2 593 191 B V H X S+ 0 0 0 -4,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.946 110.2 42.7 -57.7 -50.3 38.0 64.6 62.8 594 192 B L H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.921 113.1 54.2 -64.2 -41.9 38.8 65.7 59.2 595 193 B Y H X S+ 0 0 50 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.934 111.5 43.2 -56.7 -52.4 37.6 62.3 57.9 596 194 B S H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.908 112.9 53.4 -61.8 -44.1 34.2 62.7 59.6 597 195 B I H X S+ 0 0 4 -4,-2.5 4,-3.2 -5,-0.2 5,-0.2 0.939 107.5 50.6 -56.2 -48.0 33.9 66.3 58.6 598 196 B S H X S+ 0 0 8 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.891 111.8 47.7 -58.9 -39.9 34.5 65.5 54.9 599 197 B L H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.910 111.9 49.9 -69.4 -40.4 31.9 62.8 55.0 600 198 B L H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.957 110.9 49.2 -56.4 -51.0 29.4 65.2 56.7 601 199 B A H X>S+ 0 0 2 -4,-3.2 5,-2.5 1,-0.2 4,-1.2 0.876 107.8 55.3 -59.4 -36.8 30.1 67.8 54.1 602 200 B R H <5S+ 0 0 30 -4,-2.1 -236,-1.6 -5,-0.2 -1,-0.2 0.905 110.8 45.0 -62.1 -41.3 29.6 65.1 51.4 603 201 B K H <5S+ 0 0 23 -4,-1.9 -2,-0.2 -238,-0.2 -1,-0.2 0.910 117.6 41.2 -68.5 -44.6 26.1 64.3 52.8 604 202 B I H <5S- 0 0 20 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.563 114.4-110.6 -86.7 -6.9 24.9 67.9 53.3 605 203 B G T <5 + 0 0 13 -4,-1.2 2,-0.4 -5,-0.3 -3,-0.2 0.918 65.9 140.0 81.6 47.7 26.3 69.2 50.0 606 204 B A < - 0 0 7 -5,-2.5 -30,-0.3 -8,-0.1 -1,-0.2 -0.971 44.3-133.6-125.6 140.4 29.2 71.5 51.1 607 205 B A E -b 576 0E 8 -32,-2.3 -30,-2.7 -2,-0.4 2,-0.5 -0.566 21.9-124.7 -85.9 150.0 32.6 71.9 49.6 608 206 B L E -bc 577 627E 5 18,-0.6 20,-2.3 -2,-0.2 21,-2.1 -0.875 22.1-174.5-102.3 126.1 35.7 72.0 51.8 609 207 B L E -bc 578 629E 0 -32,-2.4 -30,-2.9 -2,-0.5 2,-0.5 -0.986 11.4-155.8-112.1 121.2 38.2 74.9 51.8 610 208 B Y E -bc 579 630E 0 19,-2.6 21,-1.9 -2,-0.5 3,-0.2 -0.867 17.6-172.3 -97.7 126.1 41.3 74.3 53.8 611 209 B E E +b 580 0E 18 -32,-2.8 -30,-0.7 -2,-0.5 21,-0.2 -0.644 54.3 38.9-114.8 172.5 42.9 77.6 54.9 612 210 B D + 0 0 68 1,-0.2 2,-0.8 -2,-0.2 20,-0.3 0.862 66.8 172.4 57.3 40.8 46.2 78.6 56.6 613 211 B I + 0 0 0 18,-2.0 21,-2.6 -3,-0.2 22,-0.5 -0.741 9.9 155.8 -82.3 110.6 48.2 76.0 54.8 614 212 B E + 0 0 101 -2,-0.8 2,-0.3 19,-0.2 -1,-0.2 0.744 55.5 39.2-107.9 -33.6 51.8 76.7 55.7 615 213 B A S >> S- 0 0 33 1,-0.1 4,-1.4 18,-0.0 3,-0.9 -0.807 81.4-110.7-120.0 164.0 53.7 73.4 55.2 616 214 B N H 3> S+ 0 0 61 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.794 114.7 57.7 -60.9 -33.5 53.5 70.5 52.6 617 215 B F H 3> S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.793 102.6 55.3 -71.6 -25.0 52.1 68.1 55.1 618 216 B Q H <> S+ 0 0 9 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.919 107.0 49.4 -71.0 -41.9 49.1 70.4 55.7 619 217 B L H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.898 111.7 49.9 -61.5 -41.2 48.4 70.4 52.0 620 218 B Q H X S+ 0 0 36 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.963 110.1 48.2 -62.5 -52.7 48.5 66.6 51.9 621 219 B Y H < S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.865 114.3 49.3 -53.5 -38.3 46.2 66.2 54.9 622 220 B A H ><>S+ 0 0 0 -4,-2.0 5,-2.0 1,-0.2 3,-1.2 0.942 111.1 47.7 -67.5 -47.5 43.8 68.6 53.2 623 221 B W H ><5S+ 0 0 5 -4,-2.8 3,-0.6 1,-0.3 -2,-0.2 0.887 111.8 48.7 -65.2 -40.1 43.9 66.9 49.8 624 222 B R T 3<5S+ 0 0 68 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.370 106.6 59.3 -85.9 7.5 43.3 63.4 51.2 625 223 B N T < 5S- 0 0 9 -3,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.320 128.3 -79.9-128.3 49.8 40.4 64.6 53.4 626 224 B G T < 5 + 0 0 9 -284,-0.8 -18,-0.6 -3,-0.6 2,-0.3 0.508 68.7 167.7 74.9 8.0 38.0 66.0 50.8 627 225 B G E < + c 0 608E 0 -5,-2.0 -1,-0.2 -6,-0.2 -18,-0.2 -0.378 11.0 170.2 -60.7 118.5 39.7 69.3 50.2 628 226 B R E + 0 0 39 -20,-2.3 -199,-1.7 -2,-0.3 -198,-0.4 0.696 67.5 32.5 -97.7 -27.5 38.2 71.0 47.2 629 227 B Y E -Vc 428 609E 21 -21,-2.1 -19,-2.6 -201,-0.2 2,-0.4 -0.992 68.6-159.8-136.1 144.4 39.8 74.4 47.7 630 228 B F E +Vc 427 610E 0 -203,-2.9 -203,-2.8 -2,-0.4 2,-0.3 -0.958 12.6 167.9-131.7 144.3 43.1 75.4 49.2 631 229 B Q + 0 0 3 -21,-1.9 -18,-2.0 -2,-0.4 2,-0.2 -0.992 23.1 95.8-151.0 146.9 44.6 78.6 50.7 632 230 B G S >> S- 0 0 3 4,-0.5 4,-1.9 -207,-0.4 3,-0.6 -0.855 76.9 -72.7 154.4 171.2 47.7 79.6 52.7 633 231 B Y T 34 S+ 0 0 148 -2,-0.2 4,-0.3 1,-0.2 -19,-0.2 0.829 121.7 64.7 -60.4 -35.0 51.3 80.9 52.7 634 232 B Y T 34 S+ 0 0 56 -21,-2.6 -1,-0.2 2,-0.2 -20,-0.2 0.851 116.5 28.3 -58.0 -35.8 52.5 77.6 51.3 635 233 B L T <4 S- 0 0 8 -3,-0.6 2,-0.3 -22,-0.5 -2,-0.2 0.929 137.9 -26.2 -86.6 -75.3 50.5 78.3 48.1 636 234 B V < - 0 0 26 -4,-1.9 -4,-0.5 -211,-0.2 -1,-0.2 -0.973 53.1-137.7-149.2 132.9 50.4 82.2 48.0 637 235 B S - 0 0 60 -2,-0.3 -212,-0.3 -4,-0.3 -214,-0.1 -0.434 48.0 -76.3 -75.6 156.2 50.6 85.1 50.5 638 236 B P + 0 0 26 0, 0.0 2,-0.3 0, 0.0 -214,-0.2 -0.202 56.1 169.9 -48.3 139.9 48.3 88.2 50.2 639 237 B S B -U 423 0E 45 -216,-2.4 -216,-2.7 2,-0.1 4,-0.1 -0.953 43.2-123.0-147.5 164.8 49.1 90.8 47.5 640 238 B E S S+ 0 0 104 -2,-0.3 2,-0.4 -218,-0.2 -216,-0.1 0.443 92.1 69.7 -90.1 -0.8 47.4 93.8 46.1 641 239 B T S S- 0 0 79 -218,-0.2 2,-0.2 0, 0.0 -218,-0.1 -0.909 84.1-116.9-117.2 146.4 47.5 92.4 42.5 642 240 B F - 0 0 26 -2,-0.4 2,-0.1 1,-0.1 -2,-0.1 -0.511 35.2-131.2 -72.7 147.9 45.6 89.5 41.0 643 241 B L - 0 0 49 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.450 28.9 -82.8 -96.3 167.7 47.8 86.6 39.8 644 242 B E > - 0 0 128 -2,-0.1 3,-1.7 1,-0.1 4,-0.2 -0.507 43.2-123.6 -63.5 138.7 48.0 84.7 36.6 645 243 B R T 3 S+ 0 0 36 1,-0.3 -211,-1.7 -2,-0.2 3,-0.1 0.669 109.6 44.8 -65.1 -12.3 45.3 82.0 36.8 646 244 B D T > S+ 0 0 80 -213,-0.2 3,-1.4 1,-0.1 4,-0.5 0.121 73.1 123.3-115.6 19.3 47.9 79.3 36.2 647 245 B V T < S+ 0 0 68 -3,-1.7 4,-0.2 1,-0.3 3,-0.2 0.874 88.0 24.3 -49.3 -49.8 50.6 80.5 38.6 648 246 B L T 3> S+ 0 0 16 -4,-0.2 4,-2.7 1,-0.2 5,-0.4 0.183 88.9 110.0-104.7 14.3 50.8 77.2 40.5 649 247 B K H <> S+ 0 0 86 -3,-1.4 4,-2.2 1,-0.2 5,-0.2 0.932 84.4 41.5 -58.3 -47.4 49.4 74.8 38.0 650 248 B Q H > S+ 0 0 141 -4,-0.5 4,-1.8 -3,-0.2 5,-0.2 0.939 115.6 48.7 -66.3 -47.3 52.8 73.1 37.4 651 249 B R H > S+ 0 0 86 -4,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.942 117.9 40.1 -56.6 -50.9 53.8 73.0 41.1 652 250 B L H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.819 107.5 61.0 -72.1 -36.0 50.5 71.6 42.2 653 251 B K H X S+ 0 0 90 -4,-2.2 4,-2.0 -5,-0.4 -1,-0.2 0.931 111.1 41.6 -57.2 -44.9 50.0 69.2 39.3 654 252 B T H X S+ 0 0 95 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.899 114.8 50.9 -70.1 -41.2 53.2 67.4 40.4 655 253 B E H X S+ 0 0 26 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.880 111.7 46.9 -66.1 -36.9 52.4 67.6 44.1 656 254 B F H X S+ 0 0 8 -4,-3.2 4,-3.1 2,-0.2 5,-0.2 0.920 106.3 58.2 -70.3 -39.2 48.9 66.1 43.6 657 255 B H H X S+ 0 0 93 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.914 106.8 49.9 -55.8 -41.0 50.3 63.3 41.4 658 256 B Q H X S+ 0 0 138 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.898 109.6 49.4 -64.1 -42.1 52.5 62.3 44.3 659 257 B F H X S+ 0 0 6 -4,-1.7 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