==== 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,TRANSFERASE 14-NOV-06 2NWH . COMPND 2 MOLECULE: CARBOHYDRATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR J.OSIPIUK,X.XU,J.GU,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWE . 307 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 10.1 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 0 0 1 2 1 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 3 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 PARALLEL BRIDGES PER LADDER . 0 0 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 1 A M 0 0 116 0, 0.0 3,-0.1 0, 0.0 132,-0.0 0.000 360.0 360.0 360.0 111.1 51.9 36.8 -2.9 2 2 A K + 0 0 118 1,-0.2 51,-2.8 50,-0.1 2,-0.5 0.691 360.0 61.1-113.3 -29.9 52.7 39.5 -0.2 3 3 A K E -a 53 0A 53 49,-0.2 131,-2.7 51,-0.1 132,-1.2 -0.900 57.3-175.0-116.1 124.9 50.7 38.4 2.8 4 4 A I E -ab 54 135A 3 49,-2.2 51,-2.4 -2,-0.5 2,-0.5 -0.981 9.1-157.8-121.4 129.1 51.2 35.1 4.6 5 5 A L E -ab 55 136A 2 130,-2.4 132,-2.3 -2,-0.5 2,-0.4 -0.936 9.0-159.2-106.9 128.8 49.0 33.9 7.5 6 6 A V E -ab 56 137A 0 49,-2.9 51,-2.9 -2,-0.5 2,-0.5 -0.894 9.2-174.1-108.3 129.0 50.5 31.3 9.9 7 7 A L E +ab 57 138A 0 130,-3.1 132,-1.2 -2,-0.4 2,-0.3 -0.962 47.4 76.3-122.8 111.6 48.3 29.1 12.1 8 8 A G S S- 0 0 0 49,-1.4 2,-0.2 -2,-0.5 130,-0.0 -0.878 75.1 -22.1 178.3-158.4 50.4 27.1 14.4 9 9 A G + 0 0 0 -2,-0.3 32,-1.9 49,-0.1 2,-0.3 -0.536 34.3 170.9 -91.5 150.8 52.4 26.9 17.5 10 10 A A + 0 0 0 49,-0.2 2,-0.3 -2,-0.2 28,-0.3 -0.852 21.6 163.7-154.8 110.4 54.2 29.6 19.3 11 11 A H E -J 37 0B 29 26,-2.1 26,-2.6 -2,-0.3 2,-0.4 -0.830 40.6-102.6-129.0 167.1 55.6 28.6 22.7 12 12 A I E -Jk 36 92B 2 79,-2.2 81,-2.7 -2,-0.3 2,-0.6 -0.782 29.0-153.6 -88.4 135.1 58.1 29.8 25.3 13 13 A D E -Jk 35 93B 40 22,-3.3 22,-2.3 -2,-0.4 2,-0.5 -0.955 13.7-174.6-112.5 114.7 61.4 28.0 25.3 14 14 A R E -Jk 34 94B 62 79,-3.0 81,-2.7 -2,-0.6 2,-0.5 -0.946 2.3-172.3-115.9 125.1 63.1 28.0 28.7 15 15 A R E -Jk 33 95B 127 18,-3.1 18,-2.9 -2,-0.5 2,-0.5 -0.968 3.2-167.7-124.5 119.1 66.6 26.6 29.0 16 16 A G E -Jk 32 96B 5 79,-3.1 81,-3.2 -2,-0.5 2,-0.5 -0.924 7.5-162.6-107.7 126.8 68.2 26.2 32.4 17 17 A M E -Jk 31 97B 57 14,-2.0 14,-1.2 -2,-0.5 81,-0.2 -0.949 19.2-123.8-116.2 131.8 71.9 25.4 32.5 18 18 A I E -J 30 0B 9 79,-2.8 12,-0.2 -2,-0.5 83,-0.2 -0.484 15.0-154.3 -67.4 136.2 73.8 24.0 35.5 19 19 A E S S+ 0 0 96 10,-2.9 2,-0.2 -2,-0.2 11,-0.1 0.618 71.9 24.9 -90.5 -16.1 76.7 26.2 36.5 20 20 A T S S- 0 0 62 9,-0.4 79,-0.5 1,-0.2 2,-0.1 -0.496 111.2 -42.4-130.5-167.8 79.0 23.6 38.2 21 21 A E S S- 0 0 170 -2,-0.2 2,-0.2 1,-0.1 -1,-0.2 -0.420 74.1 -99.6 -61.2 142.9 79.5 19.9 38.0 22 22 A T - 0 0 39 -2,-0.1 -1,-0.1 -4,-0.1 6,-0.1 -0.485 25.3-160.4 -71.5 131.2 76.1 18.0 37.8 23 23 A A > - 0 0 41 -2,-0.2 3,-1.1 3,-0.1 -1,-0.1 -0.924 27.8-139.2-101.7 98.3 74.6 16.4 40.9 24 24 A P T 3 S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 80,-0.0 -0.250 79.1 10.7 -62.1 147.6 72.2 14.0 39.3 25 25 A G T 3 S+ 0 0 97 1,-0.2 2,-0.2 0, 0.0 0, 0.0 0.763 120.7 80.8 59.2 27.5 68.7 13.5 40.9 26 26 A A S < S- 0 0 65 -3,-1.1 -1,-0.2 0, 0.0 2,-0.2 -0.877 88.9 -67.4-148.9 177.1 69.4 16.6 43.0 27 27 A S - 0 0 118 -2,-0.2 -4,-0.0 -3,-0.1 0, 0.0 -0.537 45.3-177.1 -74.2 144.6 69.5 20.4 43.2 28 28 A N - 0 0 39 -2,-0.2 2,-0.3 -6,-0.1 -6,-0.1 -0.990 31.5-108.8-139.3 141.5 72.0 22.3 41.1 29 29 A P + 0 0 68 0, 0.0 -10,-2.9 0, 0.0 -9,-0.4 -0.561 56.5 146.0 -71.5 136.8 72.8 26.0 40.8 30 30 A G E -J 18 0B 41 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.923 39.4-131.2-156.9 178.0 71.7 27.3 37.5 31 31 A S E -J 17 0B 65 -14,-1.2 -14,-2.0 -2,-0.3 2,-0.4 -0.970 23.6-123.3-144.1 154.5 70.3 30.2 35.5 32 32 A W E -J 16 0B 117 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.825 13.5-165.9-110.1 131.4 67.4 30.4 33.0 33 33 A M E -J 15 0B 98 -18,-2.9 -18,-3.1 -2,-0.4 2,-0.4 -0.952 16.6-166.2-108.0 135.5 67.6 31.6 29.4 34 34 A E E +J 14 0B 88 -2,-0.4 2,-0.3 -20,-0.2 -20,-0.2 -0.967 17.3 149.4-122.9 142.3 64.1 32.3 27.8 35 35 A E E -J 13 0B 125 -22,-2.3 -22,-3.3 -2,-0.4 2,-0.2 -0.984 43.7 -94.4-156.8 168.1 63.1 32.8 24.2 36 36 A A E +J 12 0B 5 -2,-0.3 2,-0.2 -24,-0.2 -24,-0.2 -0.510 48.5 151.4 -84.4 152.5 60.2 32.3 21.8 37 37 A G E +J 11 0B 5 -26,-2.6 -26,-2.1 -2,-0.2 4,-0.1 -0.810 10.3 133.8-153.8-161.6 59.9 29.2 19.6 38 38 A G > - 0 0 4 -28,-0.3 4,-3.1 -2,-0.2 5,-0.3 0.027 59.9-101.8 111.0 136.2 57.5 26.8 17.9 39 39 A G H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.954 121.0 41.0 -54.5 -55.6 57.6 25.5 14.3 40 40 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 116.8 49.2 -59.6 -45.7 55.0 27.9 12.9 41 41 A F H > S+ 0 0 0 -32,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.921 111.5 48.6 -61.5 -42.5 56.2 30.8 14.9 42 42 A N H X S+ 0 0 32 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.926 112.7 48.3 -65.8 -41.4 59.8 30.3 13.8 43 43 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.898 109.2 54.5 -65.0 -37.2 58.8 30.0 10.2 44 44 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.937 109.4 46.4 -61.6 -49.8 56.6 33.2 10.5 45 45 A R H X S+ 0 0 28 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.906 112.7 51.3 -56.2 -44.5 59.6 35.2 11.8 46 46 A N H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.913 108.6 49.5 -62.9 -44.9 61.7 33.7 9.0 47 47 A L H <>S+ 0 0 0 -4,-2.9 5,-2.1 2,-0.2 -1,-0.2 0.882 110.9 50.6 -61.2 -39.7 59.2 34.7 6.3 48 48 A S H ><5S+ 0 0 21 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.929 107.2 53.8 -61.5 -43.0 59.1 38.2 7.7 49 49 A R H 3<5S+ 0 0 48 -4,-2.5 243,-0.6 1,-0.3 -1,-0.2 0.766 105.0 56.3 -59.5 -29.0 62.9 38.4 7.7 50 50 A L T 3<5S- 0 0 4 -4,-1.3 -1,-0.3 241,-0.2 -2,-0.2 0.273 130.0 -93.7 -90.2 7.7 62.7 37.5 4.0 51 51 A G T < 5S+ 0 0 41 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.375 79.4 131.7 106.9 -3.4 60.4 40.5 3.2 52 52 A F < - 0 0 12 -5,-2.1 2,-0.9 1,-0.1 -1,-0.3 -0.441 63.0-116.6 -82.9 157.9 56.8 39.1 3.5 53 53 A E E -a 3 0A 96 -51,-2.8 -49,-2.2 -2,-0.1 2,-0.4 -0.829 47.0-170.1 -90.2 106.1 54.0 40.7 5.4 54 54 A V E -a 4 0A 3 -2,-0.9 25,-2.9 23,-0.4 2,-0.3 -0.864 18.7-179.1-112.8 135.8 53.4 38.0 8.0 55 55 A R E -ac 5 79A 62 -51,-2.4 -49,-2.9 -2,-0.4 2,-0.4 -0.959 10.6-159.2-123.7 145.7 50.6 37.5 10.5 56 56 A I E -ac 6 80A 0 23,-2.7 25,-2.4 -2,-0.3 2,-0.5 -0.987 11.3-164.1-127.7 141.1 50.3 34.6 13.0 57 57 A I E +a 7 0A 9 -51,-2.9 -49,-1.4 -2,-0.4 23,-0.1 -0.979 26.9 159.1-118.4 110.5 47.4 33.1 15.0 58 58 A A - 0 0 0 -2,-0.5 25,-2.3 -51,-0.2 -49,-0.1 -0.995 49.0-100.4-129.0 143.9 48.5 30.9 17.8 59 59 A P E -m 83 0C 0 0, 0.0 2,-0.3 0, 0.0 -49,-0.2 -0.348 52.0-174.3 -56.6 135.7 46.7 29.8 21.0 60 60 A R E -m 84 0C 10 23,-2.2 25,-2.8 30,-0.1 28,-0.2 -0.998 19.4-130.9-140.5 143.8 48.1 32.0 23.7 61 61 A G E -m 85 0C 4 -2,-0.3 25,-0.2 23,-0.2 28,-0.2 -0.358 29.5-110.1 -84.9 172.0 47.8 32.3 27.5 62 62 A G S S+ 0 0 38 26,-1.9 2,-0.2 23,-0.9 27,-0.1 -0.089 83.5 105.8 -89.8 37.9 47.0 35.4 29.6 63 63 A D S > S- 0 0 15 -2,-0.2 4,-1.4 25,-0.1 3,-0.3 -0.604 84.5-106.4-119.6 170.7 50.6 35.4 31.0 64 64 A V H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.807 117.1 59.9 -65.1 -31.4 53.9 37.2 30.9 65 65 A T H > S+ 0 0 12 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.891 103.4 52.6 -63.6 -34.1 55.5 34.3 28.9 66 66 A G H > S+ 0 0 3 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.860 106.6 52.9 -66.7 -36.4 52.8 34.9 26.2 67 67 A E H X S+ 0 0 126 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.842 103.6 56.6 -68.5 -32.9 53.9 38.6 26.2 68 68 A V H X S+ 0 0 47 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.911 109.3 46.5 -62.3 -42.3 57.5 37.5 25.6 69 69 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.935 111.1 51.5 -63.7 -49.7 56.3 35.6 22.5 70 70 A A H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.918 110.1 49.8 -52.2 -44.2 54.3 38.6 21.4 71 71 A E H X S+ 0 0 79 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.883 108.6 51.0 -64.3 -41.3 57.4 40.8 21.8 72 72 A A H X S+ 0 0 17 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.861 109.3 53.0 -64.4 -38.0 59.6 38.3 19.8 73 73 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 3,-0.8 0.966 110.7 45.9 -55.8 -55.1 56.9 38.5 17.0 74 74 A R H ><5S+ 0 0 143 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.877 107.7 57.6 -58.7 -39.2 57.0 42.3 17.0 75 75 A Q H 3<5S+ 0 0 149 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.800 110.6 43.7 -60.8 -30.9 60.9 42.3 16.9 76 76 A A T <<5S- 0 0 15 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.378 119.6-109.7 -94.7 3.3 60.7 40.2 13.8 77 77 A G T < 5 + 0 0 52 -3,-1.5 2,-0.4 -4,-0.3 -23,-0.4 0.615 69.4 145.3 76.9 15.0 58.0 42.3 12.2 78 78 A V < - 0 0 4 -5,-2.6 2,-0.7 -6,-0.2 -1,-0.3 -0.717 52.5-126.8 -88.0 132.8 55.3 39.6 12.5 79 79 A E E -c 55 0A 89 -25,-2.9 -23,-2.7 -2,-0.4 2,-0.8 -0.688 25.3-154.2 -75.9 113.6 51.8 40.7 13.3 80 80 A D E +c 56 0A 32 -2,-0.7 -23,-0.1 -25,-0.2 -25,-0.0 -0.846 25.3 165.6 -96.3 108.1 50.8 38.7 16.4 81 81 A T - 0 0 35 -25,-2.4 -23,-0.1 -2,-0.8 -2,-0.0 -0.797 26.7-162.4-118.9 85.4 47.0 38.2 16.6 82 82 A P - 0 0 44 0, 0.0 2,-1.4 0, 0.0 -25,-0.1 -0.266 29.4-124.6 -75.7 153.0 46.8 35.5 19.3 83 83 A F E -m 59 0C 43 -25,-2.3 -23,-2.2 2,-0.0 2,-0.2 -0.738 48.3-158.0 -86.8 84.2 43.9 33.1 20.1 84 84 A T E -m 60 0C 62 -2,-1.4 2,-0.5 -25,-0.2 -23,-0.2 -0.512 27.3-175.1 -81.4 131.4 44.1 34.3 23.8 85 85 A F E > -m 61 0C 26 -25,-2.8 3,-2.2 -2,-0.2 -23,-0.9 -0.925 10.9-164.2-121.6 97.3 42.7 32.3 26.7 86 86 A L T 3 S+ 0 0 138 -2,-0.5 -24,-0.3 1,-0.3 -1,-0.1 0.798 84.5 53.7 -62.1 -31.0 43.2 34.6 29.6 87 87 A D T 3 S+ 0 0 137 -26,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.513 103.4 73.7 -74.0 -8.5 42.7 31.9 32.3 88 88 A R S < S- 0 0 85 -3,-2.2 -26,-1.9 -28,-0.2 2,-0.4 -0.583 78.2-111.5-114.0 168.7 45.4 29.6 30.8 89 89 A R - 0 0 145 -28,-0.2 23,-0.2 -2,-0.2 3,-0.1 -0.795 34.3-110.1 -97.5 144.6 49.2 29.4 30.4 90 90 A T - 0 0 2 -2,-0.4 -30,-0.1 1,-0.1 -79,-0.1 -0.383 48.4 -93.2 -67.2 137.7 51.1 29.8 27.2 91 91 A P - 0 0 0 0, 0.0 -79,-2.2 0, 0.0 2,-0.3 -0.230 51.6-165.4 -52.4 151.2 52.6 26.5 26.0 92 92 A S E -kL 12 109B 27 17,-1.6 17,-2.9 -81,-0.2 2,-0.4 -0.983 26.9-156.9-144.6 145.3 56.2 25.9 27.1 93 93 A Y E -kL 13 108B 78 -81,-2.7 -79,-3.0 -2,-0.3 2,-0.5 -0.998 22.8-173.3-116.4 119.7 59.2 23.8 26.4 94 94 A T E -kL 14 107B 35 13,-2.8 13,-2.7 -2,-0.4 2,-0.4 -0.969 3.3-178.8-120.7 119.8 61.5 23.7 29.5 95 95 A A E -kL 15 106B 3 -81,-2.7 -79,-3.1 -2,-0.5 2,-0.5 -0.935 17.0-155.0-117.2 144.5 65.0 22.0 29.4 96 96 A I E -kL 16 105B 71 9,-2.6 8,-2.4 -2,-0.4 9,-1.2 -0.982 21.7-171.8-115.6 126.0 67.6 21.5 32.0 97 97 A L E -kL 17 103B 4 -81,-3.2 -79,-2.8 -2,-0.5 6,-0.2 -0.842 23.5-116.2-116.3 149.0 71.2 21.1 30.7 98 98 A E > - 0 0 49 4,-2.8 3,-1.9 -2,-0.3 -77,-0.1 -0.288 43.1 -98.5 -68.1 166.2 74.5 20.2 32.2 99 99 A R T 3 S+ 0 0 174 -79,-0.5 -1,-0.1 1,-0.3 -78,-0.1 0.762 126.3 57.7 -59.8 -27.9 77.3 22.9 32.1 100 100 A D T 3 S- 0 0 123 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.256 124.0-104.1 -84.9 9.4 78.7 21.0 29.0 101 101 A G S < S+ 0 0 32 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.349 71.0 147.4 80.7 -2.9 75.4 21.5 27.2 102 102 A N - 0 0 83 1,-0.1 -4,-2.8 -5,-0.1 2,-0.5 -0.473 52.4-118.2 -65.5 132.8 74.2 17.9 27.6 103 103 A L E -L 97 0B 82 -6,-0.2 -6,-0.2 -2,-0.2 3,-0.1 -0.572 29.7-178.4 -70.7 118.3 70.4 17.6 27.9 104 104 A V E - 0 0 71 -8,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.937 64.8 -40.3 -76.5 -53.5 69.4 16.2 31.3 105 105 A I E -L 96 0B 116 -9,-1.2 -9,-2.6 2,-0.0 -1,-0.4 -0.951 52.9-151.6-170.2 153.8 65.7 16.2 30.7 106 106 A A E -L 95 0B 34 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.984 4.7-152.1-138.9 148.0 63.0 18.5 29.1 107 107 A L E -L 94 0B 134 -13,-2.7 -13,-2.8 -2,-0.3 2,-0.5 -0.992 8.8-162.6-123.1 124.6 59.3 18.9 29.8 108 108 A A E -L 93 0B 65 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.926 7.5-172.8-108.1 126.7 56.8 20.1 27.1 109 109 A D E +L 92 0B 67 -17,-2.9 -17,-1.6 -2,-0.5 3,-0.2 -0.866 24.7 149.3-114.3 95.9 53.4 21.4 28.0 110 110 A M > + 0 0 34 -2,-0.5 3,-1.6 -19,-0.2 4,-0.3 0.202 29.8 115.7-110.0 13.8 51.6 21.8 24.7 111 111 A D G > + 0 0 82 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.745 60.2 73.9 -61.4 -28.5 48.0 21.2 25.9 112 112 A L G > S+ 0 0 2 1,-0.3 3,-2.1 -3,-0.2 -1,-0.3 0.838 85.0 67.3 -55.9 -31.5 46.8 24.7 25.1 113 113 A Y G X S+ 0 0 5 -3,-1.6 3,-1.7 1,-0.3 -1,-0.3 0.764 85.0 71.4 -60.1 -26.4 46.9 23.8 21.3 114 114 A K G < S+ 0 0 133 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.700 87.3 65.8 -62.1 -19.1 44.0 21.4 22.0 115 115 A L G < S+ 0 0 41 -3,-2.1 2,-2.0 -4,-0.3 -1,-0.3 0.630 76.4 88.0 -77.3 -14.5 41.7 24.4 22.4 116 116 A F < + 0 0 0 -3,-1.7 -1,-0.2 -4,-0.3 30,-0.1 -0.562 68.4 168.2 -84.8 78.6 42.2 25.4 18.8 117 117 A T > - 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0 0 43 3,-2.1 -14,-0.1 -2,-0.3 -20,-0.1 -0.665 61.6 -54.0-140.3-158.9 54.9 19.6 -7.1 227 231 A G S S+ 0 0 49 -2,-0.2 -15,-0.1 1,-0.2 3,-0.1 0.674 130.7 1.9 -58.8 -21.1 52.0 18.3 -9.3 228 232 A T S S+ 0 0 128 1,-0.1 2,-0.3 -17,-0.1 -1,-0.2 0.460 119.9 63.6-145.3 -13.4 54.2 17.3 -12.2 229 233 A E - 0 0 82 78,-0.0 -3,-2.1 -27,-0.0 2,-0.3 -0.844 45.8-172.9-127.0 155.3 57.9 18.0 -11.3 230 234 A K E -H 225 0A 58 -2,-0.3 78,-2.8 -5,-0.2 2,-0.3 -0.987 5.8-174.0-142.3 153.9 60.6 16.9 -8.9 231 235 A A E -HI 224 307A 0 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.3 -0.955 4.7-160.0-141.8 162.6 64.1 18.1 -8.2 232 236 A I E -HI 223 306A 14 74,-1.7 74,-2.9 -2,-0.3 2,-0.4 -0.978 20.7-114.2-143.9 151.2 67.0 17.0 -6.0 233 237 A L E - I 0 305A 11 -11,-1.7 -11,-0.2 -2,-0.3 72,-0.2 -0.726 28.1-129.6 -90.1 134.8 70.2 18.5 -4.5 234 238 A H - 0 0 66 70,-2.4 3,-0.1 -2,-0.4 -1,-0.0 -0.370 34.1 -94.0 -70.1 155.2 73.7 17.4 -5.6 235 239 A P - 0 0 105 0, 0.0 69,-0.2 0, 0.0 -1,-0.1 -0.503 56.8 -93.6 -62.8 144.2 76.3 16.4 -3.1 236 240 A P - 0 0 34 0, 0.0 66,-0.1 0, 0.0 6,-0.1 -0.340 33.0-134.8 -61.2 139.8 78.6 19.4 -2.3 237 241 A L - 0 0 115 -3,-0.1 3,-0.5 4,-0.0 0, 0.0 -0.157 43.1 -85.0 -72.6-177.8 81.8 20.0 -4.2 238 242 A I S S+ 0 0 163 1,-0.2 4,-0.1 -2,-0.1 -1,-0.0 0.899 130.4 43.2 -60.3 -42.7 84.9 20.9 -2.2 239 243 A R S S+ 0 0 154 2,-0.1 -1,-0.2 3,-0.0 2,-0.1 0.622 100.3 98.0 -78.8 -15.4 84.1 24.7 -2.1 240 244 A E S S- 0 0 22 -3,-0.5 62,-0.2 1,-0.1 2,-0.2 -0.309 86.0 -87.4 -87.0 159.5 80.4 24.2 -1.3 241 245 A V - 0 0 25 60,-2.2 -1,-0.1 57,-0.2 3,-0.1 -0.423 30.8-158.1 -68.7 128.7 78.4 24.3 1.9 242 246 A K S S+ 0 0 115 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.384 76.7 48.1 -92.3 -2.9 78.4 20.8 3.6 243 247 A D + 0 0 58 -23,-0.1 -1,-0.2 30,-0.1 37,-0.2 -0.920 47.9 157.9-142.7 117.4 75.2 21.3 5.7 244 248 A V + 0 0 2 -25,-2.3 2,-0.4 -2,-0.3 32,-0.2 -0.103 54.4 87.4-124.8 27.6 72.0 22.7 4.2 245 249 A T + 0 0 23 31,-0.2 2,-0.2 -26,-0.2 28,-0.0 -0.990 45.6 159.5-132.0 139.5 69.5 21.3 6.8 246 250 A G - 0 0 34 -2,-0.4 30,-0.1 -3,-0.0 31,-0.1 -0.528 63.4 -49.3-130.3-159.0 68.3 22.7 10.1 247 251 A A S S- 0 0 103 -2,-0.2 -208,-0.0 29,-0.1 29,-0.0 0.749 87.0-105.8 -46.0 -31.2 65.5 22.5 12.7 248 252 A G S > S+ 0 0 30 -62,-0.0 4,-1.9 28,-0.0 5,-0.2 -0.022 101.8 92.6 127.7 -27.0 63.2 22.8 9.6 249 253 A D H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.818 87.2 49.4 -60.5 -39.0 62.0 26.4 9.9 250 254 A A H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.928 110.3 47.0 -77.0 -47.7 64.7 27.8 7.7 251 255 A M H > S+ 0 0 8 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.963 115.8 47.6 -52.9 -52.5 64.4 25.4 4.8 252 256 A A H X S+ 0 0 2 -4,-1.9 4,-3.4 1,-0.2 5,-0.3 0.945 112.9 48.1 -55.9 -50.6 60.6 25.8 4.8 253 257 A S H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.883 114.3 44.8 -60.9 -43.5 60.8 29.6 4.9 254 258 A G H X S+ 0 0 0 -4,-2.6 4,-1.9 18,-0.2 18,-0.3 0.903 117.5 44.8 -69.9 -40.4 63.4 29.8 2.1 255 259 A Y H X S+ 0 0 3 -4,-3.2 4,-2.4 -5,-0.2 -2,-0.2 0.952 115.8 45.3 -66.1 -50.1 61.6 27.4 -0.1 256 260 A L H X S+ 0 0 1 -4,-3.4 4,-2.7 -5,-0.3 5,-0.2 0.905 110.6 55.1 -63.9 -39.1 58.1 28.8 0.5 257 261 A A H X S+ 0 0 1 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.915 109.5 47.9 -58.2 -43.4 59.5 32.3 0.0 258 262 A A H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 -2,-0.2 0.915 113.5 45.7 -62.6 -46.0 60.8 31.2 -3.4 259 263 A I H ><5S+ 0 0 41 -4,-2.4 3,-1.7 3,-0.2 -2,-0.2 0.900 110.4 53.9 -62.7 -41.4 57.5 29.6 -4.4 260 264 A A H 3<5S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 107.6 50.9 -67.9 -29.5 55.5 32.6 -3.3 261 265 A E T 3<5S- 0 0 80 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.418 124.5-111.1 -82.1 -1.0 57.7 34.8 -5.4 262 266 A G T < 5 + 0 0 62 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.877 63.4 150.8 74.8 40.9 57.0 32.4 -8.3 263 267 A K < - 0 0 80 -5,-2.2 -1,-0.2 1,-0.1 -2,-0.0 -0.595 51.1 -91.0 -95.7 163.8 60.3 30.6 -8.8 264 268 A T > - 0 0 65 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.279 34.6-111.2 -68.4 158.3 60.8 27.1 -10.0 265 269 A I H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.813 121.7 56.4 -62.6 -25.1 61.0 24.2 -7.6 266 270 A R H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.954 111.9 41.3 -67.9 -48.7 64.7 23.8 -8.6 267 271 A E H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.864 114.8 51.6 -61.4 -41.6 65.3 27.5 -7.6 268 272 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.897 107.2 54.8 -64.4 -38.6 63.1 27.1 -4.4 269 273 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.939 109.9 44.6 -59.4 -50.6 65.2 24.1 -3.5 270 274 A R H X S+ 0 0 31 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.830 113.0 51.1 -66.2 -34.5 68.4 26.0 -3.7 271 275 A Q H X S+ 0 0 29 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.903 110.5 48.7 -68.0 -41.5 66.9 29.0 -1.8 272 276 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 -18,-0.3 -18,-0.2 0.914 111.9 49.8 -62.7 -44.4 65.7 26.8 1.0 273 277 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.900 110.1 50.4 -58.5 -43.8 69.1 25.1 1.2 274 278 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.923 111.3 48.9 -59.7 -48.0 70.8 28.6 1.4 275 279 A A H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.928 112.7 46.5 -59.2 -46.3 68.4 29.6 4.2 276 280 A A H X S+ 0 0 0 -4,-2.7 4,-0.6 -32,-0.2 3,-0.4 0.942 111.3 52.8 -59.4 -46.5 69.1 26.3 6.2 277 281 A A H >X S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.3 4,-0.8 0.848 103.7 57.0 -59.1 -39.6 72.9 26.6 5.7 278 282 A I H >< S+ 0 0 3 -4,-2.2 3,-0.6 1,-0.3 -1,-0.3 0.903 106.1 50.2 -61.1 -40.7 72.9 30.2 7.0 279 283 A T H 3< S+ 0 0 19 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.565 121.4 32.7 -75.4 -11.5 71.3 29.0 10.3 280 284 A V H << S+ 0 0 49 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.290 80.7 107.3-129.8 11.6 73.9 26.2 10.8 281 285 A Q S << S+ 0 0 127 -4,-0.8 2,-0.3 -3,-0.6 -2,-0.1 0.671 92.9 11.1 -72.0 -16.3 77.1 27.6 9.3 282 286 A S S > S- 0 0 61 -4,-0.2 3,-1.4 -3,-0.1 -1,-0.0 -0.965 83.9-101.6-145.2 165.8 78.6 28.0 12.8 283 287 A S T 3 S+ 0 0 117 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 0.706 125.9 45.8 -49.9 -24.3 77.8 27.0 16.4 284 288 A F T 3 S+ 0 0 178 2,-0.1 -1,-0.2 -4,-0.0 2,-0.1 0.408 85.5 116.2-107.4 -3.1 76.5 30.6 16.8 285 289 A A < + 0 0 13 -3,-1.4 2,-0.3 3,-0.0 -6,-0.1 -0.384 38.7 169.9 -67.5 144.2 74.5 30.9 13.6 286 290 A T > - 0 0 61 -8,-0.2 3,-2.1 -2,-0.1 4,-0.1 -0.956 52.1 -95.9-147.1 172.8 70.7 31.3 14.0 287 291 A S G > S+ 0 0 17 -2,-0.3 3,-1.8 1,-0.3 -8,-0.1 0.683 114.0 77.9 -67.9 -13.0 67.6 32.1 12.0 288 292 A Q G 3 S+ 0 0 144 1,-0.3 -1,-0.3 -9,-0.1 -3,-0.0 0.785 85.5 63.3 -64.2 -20.8 68.1 35.8 13.1 289 293 A D G < S+ 0 0 80 -3,-2.1 2,-0.3 -11,-0.0 -1,-0.3 0.559 80.9 110.8 -77.3 -7.3 70.9 35.8 10.4 290 294 A L < + 0 0 6 -3,-1.8 2,-0.3 -4,-0.1 3,-0.1 -0.524 34.1 133.9 -72.5 131.6 68.2 35.2 7.7 291 295 A S > - 0 0 42 -2,-0.3 4,-2.2 -241,-0.1 5,-0.2 -0.937 68.1 -99.8-161.5 166.1 67.5 38.1 5.3 292 296 A K H > S+ 0 0 125 -243,-0.6 4,-2.4 -2,-0.3 5,-0.1 0.922 124.8 51.1 -59.3 -40.6 67.1 38.4 1.5 293 297 A D H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 109.4 46.4 -67.0 -38.9 70.6 39.7 1.4 294 298 A S H > S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.880 112.9 50.1 -72.1 -33.4 72.2 36.8 3.4 295 299 A V H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 3,-0.4 0.958 109.7 51.7 -65.0 -49.7 70.3 34.2 1.4 296 300 A E H X S+ 0 0 141 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.886 111.1 49.2 -47.1 -43.7 71.6 36.0 -1.8 297 301 A A H < S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.799 114.1 43.2 -71.8 -30.8 75.2 35.8 -0.3 298 302 A M H >X S+ 0 0 20 -4,-1.8 3,-2.2 -3,-0.4 4,-0.5 0.763 93.5 82.2 -86.9 -25.0 75.0 32.0 0.6 299 303 A L H >< S+ 0 0 57 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.805 82.4 60.1 -52.1 -39.7 73.3 30.9 -2.6 300 304 A G T 3< S+ 0 0 49 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.688 105.5 51.3 -63.3 -16.5 76.6 30.8 -4.7 301 305 A L T <4 S+ 0 0 53 -3,-2.2 -60,-2.2 -4,-0.1 -1,-0.3 0.534 88.0 102.2 -97.1 -9.2 77.9 28.2 -2.2 302 306 A V S << S- 0 0 1 -3,-1.4 3,-0.1 -4,-0.5 -60,-0.1 -0.595 80.7-110.1 -77.7 130.8 74.8 26.0 -2.5 303 307 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -30,-0.1 -0.152 42.2 -91.7 -52.9 154.6 75.1 22.9 -4.6 304 308 A Q - 0 0 90 -69,-0.2 -70,-2.4 -71,-0.1 2,-0.3 -0.289 37.3-130.5 -63.0 153.5 73.3 22.8 -7.9 305 309 A A E -I 233 0A 8 -72,-0.2 2,-0.5 -3,-0.1 -72,-0.2 -0.808 13.3-147.9-107.4 150.6 69.8 21.3 -8.1 306 310 A E E -I 232 0A 88 -74,-2.9 -74,-1.7 -2,-0.3 2,-0.1 -0.977 7.2-140.6-124.4 116.8 68.7 18.7 -10.7 307 311 A M E I 231 0A 66 -2,-0.5 -76,-0.3 -76,-0.2 -78,-0.0 -0.467 360.0 360.0 -64.8 147.5 65.1 18.4 -12.1 308 312 A L 0 0 89 -78,-2.8 -77,-0.2 -2,-0.1 -1,-0.1 0.569 360.0 360.0-132.2 360.0 64.1 14.8 -12.5