==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE ACTIVATOR 26-MAR-13 4JW1 . COMPND 2 MOLECULE: EFFECTOR PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR L.HU,Q.YAO,Y.ZHU,F.SHAO . 834 23 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 534 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 65 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 322 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 1 0 1 3 2 4 1 1 3 3 0 0 0 1 2 0 1 2 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 7 3 3 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 . 4 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 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 10 A V 0 0 135 0, 0.0 8,-1.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 154.9 -19.1 78.2 100.0 2 11 A R E +A 8 0A 158 6,-0.2 2,-0.3 4,-0.0 6,-0.2 -0.626 360.0 150.6-113.1 149.1 -18.9 75.6 97.2 3 12 A F E A 7 0A 88 4,-2.4 4,-1.6 -2,-0.2 6,-0.0 -0.800 360.0 360.0-137.0-172.0 -18.2 74.9 93.6 4 13 A A 0 0 94 -2,-0.3 0, 0.0 2,-0.2 0, 0.0 -0.347 360.0 360.0-139.6 360.0 -16.9 71.6 92.2 5 ! 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 6 26 A G 0 0 27 0, 0.0 12,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 140.1 -16.6 69.4 96.7 7 27 A F E -AB 3 17A 72 -4,-1.6 -4,-2.4 10,-0.2 10,-0.2 -0.800 360.0-162.6-100.6 125.4 -14.2 72.4 96.3 8 28 A Y E -AB 2 16A 55 8,-1.7 8,-1.4 -2,-0.5 2,-0.4 -0.539 10.9-144.3-112.9 177.1 -14.7 75.2 98.7 9 29 A K E - B 0 15A 121 -8,-1.5 2,-0.3 6,-0.2 6,-0.2 -0.986 2.7-150.8-149.8 140.3 -13.9 78.8 99.2 10 30 A D - 0 0 69 4,-1.3 4,-0.1 -2,-0.4 6,-0.0 -0.746 33.4-110.1-106.2 154.3 -13.0 81.2 102.0 11 31 A N S S+ 0 0 162 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.851 108.1 14.9 -52.6 -51.9 -13.8 85.0 102.0 12 32 A D S S- 0 0 149 1,-0.4 2,-0.3 -3,-0.0 -1,-0.2 0.814 133.4 -25.4 -98.4 -39.0 -10.4 86.5 101.7 13 33 A G S S+ 0 0 37 2,-0.0 -1,-0.4 0, 0.0 2,-0.1 -0.953 83.0 84.4-172.5 155.6 -8.2 83.6 100.6 14 34 A G - 0 0 49 -2,-0.3 -4,-1.3 -3,-0.1 2,-0.3 -0.157 41.6-141.4 117.0 147.3 -8.1 79.8 100.8 15 35 A K E -B 9 0A 68 -6,-0.2 58,-1.3 58,-0.1 2,-0.3 -0.980 19.8-160.7-142.0 149.0 -9.4 76.8 99.0 16 36 A F E -BC 8 72A 54 -8,-1.4 -8,-1.7 -2,-0.3 2,-0.4 -0.903 20.7-147.9-139.2 162.7 -10.7 73.4 100.2 17 37 A F E -BC 7 71A 65 54,-1.9 54,-2.5 -2,-0.3 2,-0.6 -0.994 17.1-169.3-125.9 127.2 -11.6 69.8 99.6 18 38 A I E - C 0 70A 12 -12,-1.7 2,-0.4 -2,-0.4 52,-0.2 -0.816 5.0-177.3-123.6 97.7 -14.4 68.2 101.5 19 39 A K E - C 0 69A 67 50,-2.1 50,-2.7 -2,-0.6 -2,-0.0 -0.756 15.3-153.7 -92.1 136.6 -14.8 64.4 101.3 20 40 A K - 0 0 118 -2,-0.4 2,-0.2 48,-0.2 48,-0.1 -0.917 19.5-149.1-105.4 105.6 -17.6 62.6 103.0 21 41 A P - 0 0 36 0, 0.0 6,-0.1 0, 0.0 -2,-0.0 -0.516 7.8-143.9 -76.6 144.8 -16.4 59.1 103.7 22 42 A G S S+ 0 0 82 -2,-0.2 3,-0.0 4,-0.0 -2,-0.0 0.897 81.7 73.4 -75.3 -44.0 -18.9 56.3 103.7 23 43 A D S > S- 0 0 53 1,-0.1 4,-0.8 2,-0.0 0, 0.0 -0.555 71.8-148.8 -72.1 131.5 -17.4 54.2 106.5 24 44 A P H > S+ 0 0 54 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.804 96.5 54.7 -67.7 -28.2 -17.9 55.8 110.0 25 45 A R H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.859 100.3 55.1 -77.0 -38.7 -14.6 54.3 111.1 26 46 A E H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.792 101.8 60.6 -67.3 -27.9 -12.4 55.8 108.4 27 47 A L H X S+ 0 0 14 -4,-0.8 4,-2.6 2,-0.2 5,-0.2 0.959 110.0 40.5 -60.2 -52.1 -13.6 59.2 109.3 28 48 A F H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 5,-0.2 0.903 115.8 50.8 -62.6 -44.5 -12.2 58.8 112.8 29 49 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 98,-0.3 0.968 115.6 40.4 -62.6 -51.5 -9.1 57.1 111.6 30 50 A E H X S+ 0 0 28 -4,-2.7 4,-2.7 1,-0.2 27,-0.3 0.954 117.5 48.6 -57.0 -55.1 -8.2 59.8 109.0 31 51 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.863 111.5 49.9 -56.2 -40.4 -9.2 62.7 111.3 32 52 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.929 109.8 49.7 -68.0 -46.9 -7.2 61.3 114.2 33 53 A A H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.953 113.4 49.5 -52.4 -49.4 -4.1 60.9 112.1 34 54 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.911 111.9 44.2 -55.4 -51.8 -4.6 64.4 110.9 35 55 A L H X S+ 0 0 9 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.807 113.4 52.5 -69.0 -30.0 -5.1 66.0 114.4 36 56 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.954 112.6 43.2 -69.1 -51.2 -2.1 64.1 115.8 37 57 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.942 113.3 52.8 -55.9 -49.9 0.2 65.2 113.0 38 58 A K H X S+ 0 0 57 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.820 107.3 53.2 -55.3 -34.5 -1.1 68.7 113.3 39 59 A E H X S+ 0 0 6 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.925 108.1 49.4 -68.3 -45.7 -0.4 68.5 117.1 40 60 A F H <>S+ 0 0 2 -4,-2.4 5,-1.8 1,-0.2 3,-0.4 0.955 114.4 43.9 -54.6 -53.2 3.2 67.5 116.4 41 61 A X H ><5S+ 0 0 39 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.812 111.1 57.3 -62.4 -29.6 3.7 70.4 113.9 42 62 A K H 3<5S+ 0 0 150 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.820 104.8 49.4 -72.4 -32.9 1.9 72.6 116.4 43 63 A R T 3<5S- 0 0 79 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.453 113.0-117.6 -86.5 0.1 4.3 71.9 119.2 44 64 A G T < 5S+ 0 0 48 -3,-0.7 -3,-0.2 -4,-0.4 -2,-0.1 0.809 70.2 139.0 68.9 30.8 7.3 72.6 116.9 45 65 A L S - 0 0 81 -2,-0.3 3,-2.1 1,-0.1 4,-0.4 -0.212 29.9-119.3 -64.4 151.2 10.9 72.0 111.4 48 68 A E T 3 S+ 0 0 145 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.609 110.9 69.8 -67.5 -12.1 8.5 74.3 109.5 49 69 A S T 3 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.458 99.1 50.0 -82.6 -1.0 10.1 73.2 106.3 50 70 A Y S X S+ 0 0 37 -3,-2.1 3,-1.8 2,-0.1 4,-0.4 0.476 81.3 93.9-111.7 -10.0 8.5 69.8 106.8 51 71 A F G > S+ 0 0 61 -4,-0.4 3,-1.3 -3,-0.3 -2,-0.1 0.881 85.5 50.0 -54.5 -43.5 4.9 71.0 107.5 52 72 A P G 3 S+ 0 0 56 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.574 97.4 72.9 -74.0 -3.0 3.9 70.6 103.8 53 73 A S G < S+ 0 0 0 -3,-1.8 69,-1.1 1,-0.2 2,-0.5 0.565 92.2 58.5 -82.6 -12.2 5.3 67.0 103.9 54 74 A L B < S-e 122 0B 9 -3,-1.3 2,-1.0 -4,-0.4 -1,-0.2 -0.826 70.2-176.1-120.9 90.8 2.4 65.9 106.0 55 75 A I + 0 0 12 67,-1.5 2,-0.2 -2,-0.5 70,-0.1 -0.746 21.4 156.4 -93.2 99.4 -0.8 66.5 104.1 56 76 A C - 0 0 9 -2,-1.0 2,-0.2 -22,-0.1 -25,-0.1 -0.705 34.2-108.0-126.0 171.8 -3.7 65.6 106.4 57 77 A A - 0 0 3 -27,-0.3 2,-0.3 -2,-0.2 14,-0.2 -0.579 16.0-157.1-104.6 160.0 -7.4 66.3 107.0 58 78 A D E -D 70 0A 60 12,-2.8 12,-3.2 -2,-0.2 2,-0.3 -0.765 29.7-101.1-121.5 170.5 -9.5 68.2 109.5 59 79 A V E -D 69 0A 25 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.681 33.0-165.5 -95.2 150.0 -13.2 67.8 110.5 60 80 A I E -D 68 0A 42 8,-1.9 8,-2.1 -2,-0.3 2,-0.4 -0.985 17.6-124.1-135.2 148.2 -15.9 70.1 109.2 61 81 A Q E -D 67 0A 105 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.763 26.7-155.9 -94.9 133.5 -19.5 70.7 110.3 62 82 A F - 0 0 55 4,-2.0 -1,-0.0 -2,-0.4 5,-0.0 -0.436 30.8-113.9 -99.1 171.2 -22.4 70.4 107.8 63 83 A E S S+ 0 0 195 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.907 118.3 60.2 -65.2 -43.8 -25.9 71.7 107.5 64 84 A D S S- 0 0 114 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.900 116.9-114.8 -43.1 -56.1 -27.1 68.1 107.9 65 85 A K S S+ 0 0 125 1,-0.5 -1,-0.1 0, 0.0 2,-0.1 0.060 81.2 113.0 128.4 -5.7 -25.4 68.0 111.3 66 86 A S - 0 0 40 -5,-0.1 -4,-2.0 1,-0.1 -1,-0.5 -0.323 65.1-109.6 -86.7 175.2 -22.9 65.3 110.2 67 87 A Y E - D 0 61A 25 131,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.751 25.1-166.4-114.5 152.8 -19.2 65.7 109.8 68 88 A G E - D 0 60A 0 -8,-2.1 -8,-1.9 -2,-0.3 2,-0.7 -0.824 28.3-109.8-128.3 166.7 -16.9 65.8 106.8 69 89 A L E -CD 19 59A 2 -50,-2.7 -50,-2.1 -2,-0.3 2,-0.5 -0.899 35.4-167.0-100.8 112.6 -13.1 65.6 106.2 70 90 A I E +CD 18 58A 28 -12,-3.2 -12,-2.8 -2,-0.7 -52,-0.2 -0.878 8.8 177.7-107.4 126.8 -11.8 69.0 105.1 71 91 A Q E -C 17 0A 15 -54,-2.5 -54,-1.9 -2,-0.5 -14,-0.1 -0.981 32.3-107.2-134.7 134.8 -8.4 69.3 103.6 72 92 A P E -C 16 0A 68 0, 0.0 2,-0.8 0, 0.0 -56,-0.2 -0.248 38.9-113.1 -55.1 146.3 -6.3 72.2 102.2 73 93 A L - 0 0 78 -58,-1.3 2,-0.4 2,-0.0 -58,-0.1 -0.770 41.0-175.6 -88.8 111.4 -6.0 72.3 98.4 74 94 A V - 0 0 51 -2,-0.8 2,-0.8 2,-0.0 -19,-0.0 -0.870 27.9-124.4-111.7 140.5 -2.4 71.6 97.5 75 95 A S + 0 0 80 -2,-0.4 41,-0.9 2,-0.0 2,-0.3 -0.731 56.4 133.3 -81.2 113.0 -0.7 71.6 94.1 76 96 A F E -F 115 0B 56 -2,-0.8 2,-0.4 39,-0.2 39,-0.2 -0.988 48.5-131.2-154.9 158.9 1.0 68.3 93.7 77 97 A D E -F 114 0B 78 37,-2.0 37,-2.5 -2,-0.3 5,-0.1 -0.962 29.8-120.3-114.7 134.8 1.4 65.4 91.3 78 98 A E E >> -F 113 0B 59 -2,-0.4 4,-0.9 35,-0.2 3,-0.7 -0.163 31.7-107.9 -66.1 170.3 0.9 61.8 92.4 79 99 A L H 3> S+ 0 0 0 30,-1.9 4,-1.1 33,-1.0 31,-0.2 0.787 116.1 60.5 -76.7 -26.7 4.0 59.6 92.0 80 100 A H H 34 S+ 0 0 89 29,-0.8 -1,-0.2 1,-0.2 4,-0.1 0.738 102.4 58.2 -68.0 -21.3 2.6 57.6 89.1 81 101 A K H X4 S+ 0 0 130 -3,-0.7 3,-0.5 28,-0.2 -1,-0.2 0.900 106.3 42.6 -73.1 -45.4 2.4 60.8 87.2 82 102 A V H 3< S+ 0 0 65 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.675 123.2 38.5 -82.5 -17.3 6.1 61.9 87.4 83 103 A I T 3< 0 0 21 -4,-1.1 -1,-0.2 320,-0.0 -2,-0.2 0.244 360.0 360.0-113.2 9.8 7.4 58.4 86.6 84 104 A G < 0 0 88 -3,-0.5 -3,-0.1 -4,-0.1 -4,-0.0 -0.468 360.0 360.0-105.4 360.0 4.7 57.6 84.1 85 ! 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 86 132 A Q 0 0 157 0, 0.0 2,-0.1 0, 0.0 76,-0.0 0.000 360.0 360.0 360.0 140.4 22.4 59.1 95.4 87 133 A N - 0 0 111 1,-0.0 2,-0.5 2,-0.0 0, 0.0 -0.475 360.0-123.2 -86.7 160.9 19.7 61.7 95.0 88 134 A K - 0 0 151 -2,-0.1 2,-0.8 2,-0.0 -1,-0.0 -0.923 15.3-165.1-111.6 125.7 18.0 63.6 97.8 89 135 A Y >> - 0 0 69 -2,-0.5 3,-1.7 30,-0.0 4,-0.5 -0.798 19.2-145.7-110.7 88.6 14.2 63.5 98.2 90 136 A F T 34 S+ 0 0 74 -2,-0.8 30,-2.3 1,-0.2 -2,-0.0 -0.345 80.2 9.1 -62.7 118.5 13.4 66.3 100.6 91 137 A G T 3> S+ 0 0 2 -2,-0.2 4,-2.2 28,-0.2 -1,-0.2 0.078 97.7 102.6 105.7 -21.5 10.4 65.4 102.8 92 138 A L H <> S+ 0 0 5 -3,-1.7 4,-2.5 1,-0.2 5,-0.2 0.875 79.9 50.3 -64.8 -40.0 10.2 61.7 101.9 93 139 A S H X S+ 0 0 20 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.812 111.8 48.3 -69.8 -31.2 11.8 60.4 105.1 94 140 A X H > S+ 0 0 8 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.921 113.9 46.0 -72.6 -45.3 9.6 62.5 107.3 95 141 A A H X S+ 0 0 1 -4,-2.2 4,-1.7 25,-0.2 -2,-0.2 0.893 117.6 43.6 -64.1 -42.0 6.4 61.4 105.5 96 142 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.870 112.9 50.5 -74.7 -37.7 7.5 57.8 105.5 97 143 A X H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.898 114.2 45.5 -66.6 -37.2 8.7 57.7 109.1 98 144 A F H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 6,-0.3 0.824 111.0 52.7 -76.4 -30.2 5.4 59.3 110.2 99 145 A S H <>S+ 0 0 1 -4,-1.7 5,-2.0 -5,-0.2 -2,-0.2 0.913 113.7 44.3 -63.4 -43.7 3.5 56.8 108.0 100 146 A L H ><5S+ 0 0 7 -4,-2.4 3,-0.9 3,-0.2 -2,-0.2 0.899 113.5 50.0 -67.4 -42.7 5.4 54.0 109.7 101 147 A L H 3<5S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.906 113.6 44.6 -63.4 -44.0 5.0 55.4 113.2 102 148 A L T 3<5S- 0 0 1 -4,-2.1 26,-1.7 -5,-0.1 -1,-0.2 0.376 116.4-112.9 -85.8 4.1 1.2 56.0 112.8 103 149 A G T < 5 + 0 0 0 -3,-0.9 2,-1.9 24,-0.2 26,-0.3 0.578 67.0 147.3 77.7 8.9 0.8 52.5 111.3 104 150 A A < + 0 0 1 -5,-2.0 -1,-0.2 -6,-0.3 23,-0.1 -0.568 15.2 158.4 -77.0 83.9 -0.2 54.0 107.9 105 151 A H + 0 0 0 -2,-1.9 2,-2.7 44,-0.3 -1,-0.2 0.769 43.6 84.1 -89.6 -29.5 1.4 51.1 106.0 106 152 A S + 0 0 21 -3,-0.2 2,-0.5 20,-0.1 -1,-0.2 -0.409 58.1 159.6 -76.2 69.4 -0.3 51.1 102.6 107 153 A V + 0 0 0 -2,-2.7 48,-1.5 48,-0.2 2,-0.2 -0.816 15.2 146.4 -90.6 129.0 2.0 53.8 101.2 108 154 A H B > -H 154 0C 15 -2,-0.5 4,-2.8 46,-0.2 46,-0.2 -0.778 62.5 -68.9-149.0-170.5 2.0 53.7 97.4 109 155 A S T 4 S+ 0 0 5 44,-2.0 -30,-1.9 1,-0.2 -29,-0.8 0.759 129.6 47.0 -63.3 -27.6 2.3 55.6 94.1 110 156 A G T 4 S+ 0 0 9 -32,-0.2 -1,-0.2 -31,-0.2 44,-0.1 0.777 114.7 46.8 -83.7 -30.3 -1.1 57.2 94.8 111 157 A N T 4 S+ 0 0 1 1,-0.1 12,-0.9 12,-0.1 2,-0.6 0.972 100.6 66.7 -72.1 -58.7 -0.2 58.2 98.4 112 158 A I E < S+ G 0 122B 0 -4,-2.8 -33,-1.0 10,-0.2 10,-0.2 -0.514 70.7 177.1 -71.5 110.6 3.2 59.6 97.9 113 159 A V E -FG 78 121B 0 8,-1.1 8,-2.6 -2,-0.6 2,-0.7 -0.678 29.8-117.9-112.8 174.4 2.8 62.8 95.9 114 160 A V E 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0.980 112.5 47.0 -63.7 -57.2 20.5 55.9 56.9 308 383 A I H >X S+ 0 0 103 -4,-2.7 4,-1.9 1,-0.2 3,-0.8 0.853 115.8 45.1 -55.1 -40.5 24.0 56.0 55.3 309 384 A T H 3X S+ 0 0 62 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.878 108.5 57.4 -70.4 -39.1 23.8 52.3 54.4 310 385 A C H 3< S+ 0 0 19 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.421 115.6 38.2 -73.0 2.4 20.3 52.8 53.0 311 386 A E H <4 S+ 0 0 87 -3,-0.8 -2,-0.2 -4,-0.2 -1,-0.2 0.591 109.2 56.8-120.1 -24.2 21.8 55.5 50.7 312 387 A A H < S+ 0 0 76 -4,-1.9 2,-0.3 -5,-0.2 -3,-0.2 0.964 106.4 55.3 -69.0 -54.5 25.2 53.9 49.8 313 388 A N S < S- 0 0 79 -4,-1.8 2,-1.9 -5,-0.1 0, 0.0 -0.648 107.3-118.0 -70.7 134.3 23.3 50.9 48.4 314 389 A N + 0 0 156 -2,-0.3 -1,-0.1 2,-0.0 -3,-0.1 -0.132 62.7 140.0 -86.6 53.4 20.9 52.5 46.0 315 390 A V 0 0 56 -2,-1.9 -5,-0.0 -5,-0.1 -4,-0.0 0.377 360.0 360.0 -66.5-149.5 17.6 51.5 47.6 316 391 A W 0 0 63 25,-0.1 -5,-0.1 24,-0.0 -2,-0.0 0.503 360.0 360.0 -13.8 360.0 14.6 53.7 47.9 317 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 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-12.3 18.7 39.5 785 544 B K H > S+ 0 0 161 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.917 112.0 44.4 -64.4 -46.4 -8.8 19.8 38.3 786 545 B A H 4 S+ 0 0 5 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.841 112.2 54.5 -65.2 -34.4 -8.0 21.5 41.6 787 546 B L H >< S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.798 104.2 54.4 -71.2 -30.4 -9.4 18.5 43.5 788 547 B A H 3< S+ 0 0 28 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.783 95.0 66.2 -77.3 -28.3 -7.1 16.1 41.6 789 548 B K T 3< S+ 0 0 169 -4,-1.1 2,-0.4 -5,-0.1 -1,-0.2 0.474 89.3 93.9 -68.5 -1.6 -3.9 17.9 42.5 790 549 B X S < S- 0 0 12 -3,-0.9 -119,-0.0 -4,-0.1 -3,-0.0 -0.819 72.7-128.7-106.8 135.9 -4.6 16.9 46.1 791 550 B N > - 0 0 52 -2,-0.4 4,-2.0 1,-0.1 3,-0.2 -0.009 34.5 -98.4 -66.9 173.9 -3.3 13.9 48.0 792 551 B G H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.565 118.6 62.2 -75.6 -9.7 -5.5 11.5 49.9 793 552 B Y H > S+ 0 0 69 2,-0.2 4,-1.9 3,-0.2 -124,-0.4 0.883 109.3 39.8 -82.0 -41.8 -4.7 13.1 53.2 794 553 B Q H > S+ 0 0 22 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.890 118.1 50.1 -70.5 -39.6 -6.3 16.4 52.1 795 554 B L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.900 112.1 46.7 -64.2 -42.9 -9.1 14.4 50.4 796 555 B A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.863 110.7 53.1 -68.1 -36.5 -9.7 12.3 53.5 797 556 B T H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.925 111.3 46.2 -62.0 -44.4 -9.7 15.5 55.6 798 557 B I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.931 111.7 51.6 -61.7 -46.9 -12.3 17.0 53.3 799 558 B C H < S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.909 111.5 46.7 -57.0 -46.2 -14.4 13.8 53.4 800 559 B L H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.861 111.9 52.4 -64.1 -36.4 -14.4 13.7 57.2 801 560 B E H >< S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.898 101.1 59.5 -66.5 -40.7 -15.3 17.4 57.2 802 561 B E G >< S+ 0 0 3 -4,-2.5 3,-0.7 1,-0.3 7,-0.4 0.554 89.9 73.0 -69.3 -7.3 -18.3 17.0 54.9 803 562 B L G < S+ 0 0 21 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.487 76.1 78.7 -85.1 -4.1 -19.9 14.6 57.4 804 563 B N G < S+ 0 0 67 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.1 0.248 82.0 84.1 -86.1 13.0 -20.7 17.5 59.8 805 564 B S S < S- 0 0 33 -3,-0.7 4,-0.1 1,-0.1 0, 0.0 -0.926 82.8-129.7-115.9 143.1 -23.6 18.2 57.5 806 565 B P S S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.790 90.8 47.6 -60.2 -32.3 -27.0 16.5 57.8 807 566 B K S S- 0 0 164 -3,-0.0 2,-0.6 1,-0.0 -2,-0.0 -0.916 99.1 -95.0-121.5 140.9 -27.2 15.7 54.0 808 567 B P - 0 0 88 0, 0.0 -5,-0.1 0, 0.0 -6,-0.0 -0.309 49.4-137.4 -50.6 98.0 -24.6 14.1 51.6 809 568 B S > - 0 0 11 -2,-0.6 4,-1.4 -7,-0.4 5,-0.2 -0.208 13.3-119.1 -61.5 149.9 -23.1 17.2 50.1 810 569 B P H > S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.837 111.4 61.2 -57.4 -33.7 -22.4 17.3 46.3 811 570 B L H > S+ 0 0 3 -36,-1.5 4,-1.8 2,-0.2 5,-0.2 0.960 103.6 44.3 -58.7 -57.7 -18.7 17.8 47.1 812 571 B I H > S+ 0 0 2 -37,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.805 112.3 55.0 -62.6 -28.3 -18.2 14.5 49.0 813 572 B E H X S+ 0 0 101 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.916 107.2 50.6 -67.6 -38.4 -20.2 12.7 46.3 814 573 B R H < S+ 0 0 31 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.778 113.3 45.0 -71.1 -29.6 -17.8 14.2 43.7 815 574 B I H < S+ 0 0 0 -4,-1.8 3,-0.4 -5,-0.1 -1,-0.2 0.883 118.2 42.1 -74.9 -42.8 -14.9 13.0 45.7 816 575 B L H < S+ 0 0 8 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.670 108.3 57.8 -84.2 -18.2 -16.3 9.5 46.3 817 576 B S S < S+ 0 0 61 -4,-2.2 2,-0.4 -5,-0.1 -1,-0.2 0.648 88.4 91.0 -83.6 -16.4 -17.8 8.9 42.9 818 577 B N > - 0 0 40 -3,-0.4 4,-0.6 -4,-0.3 3,-0.1 -0.696 66.0-155.2 -84.6 128.1 -14.3 9.3 41.3 819 578 B K T 4 S+ 0 0 165 -2,-0.4 4,-0.5 1,-0.2 3,-0.2 0.747 86.8 60.1 -78.1 -25.2 -12.4 6.1 41.0 820 579 B K T >> S+ 0 0 113 1,-0.2 3,-0.6 2,-0.1 4,-0.5 0.906 100.3 55.6 -66.7 -40.9 -8.9 7.6 41.0 821 580 B F H 3> S+ 0 0 0 1,-0.2 4,-1.6 -6,-0.2 3,-0.3 0.756 88.3 75.7 -67.2 -28.4 -9.2 9.2 44.4 822 581 B W H 3X S+ 0 0 24 -4,-0.6 4,-3.1 1,-0.2 5,-0.4 0.842 87.8 57.6 -59.8 -39.2 -10.1 6.1 46.5 823 582 B K H <> S+ 0 0 136 -3,-0.6 4,-2.2 -4,-0.5 -1,-0.2 0.938 111.8 41.8 -57.3 -47.9 -6.7 4.6 46.6 824 583 B R H X S+ 0 0 69 -4,-0.5 4,-1.0 -3,-0.3 -1,-0.2 0.766 116.8 49.7 -68.5 -28.0 -5.2 7.7 48.2 825 584 B I H X S+ 0 0 0 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.923 114.9 40.3 -77.1 -49.9 -8.2 8.1 50.5 826 585 B N H X S+ 0 0 41 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.850 115.9 52.2 -68.1 -37.8 -8.3 4.5 51.8 827 586 B S H < S+ 0 0 74 -4,-2.2 4,-0.4 -5,-0.4 -1,-0.2 0.839 112.2 45.7 -67.1 -32.1 -4.5 4.4 52.0 828 587 B A H < S+ 0 0 0 -4,-1.0 4,-0.4 -5,-0.2 5,-0.4 0.692 112.0 55.2 -78.7 -19.5 -4.7 7.6 54.1 829 588 B F H >< S+ 0 0 9 -4,-0.9 3,-0.5 1,-0.2 -2,-0.2 0.883 109.1 42.7 -80.5 -43.0 -7.5 6.0 56.1 830 589 B E T 3< S+ 0 0 148 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.530 92.2 87.2 -82.7 -6.8 -5.6 2.9 57.1 831 590 B S T 3 S- 0 0 56 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.1 0.896 95.2-129.1 -57.2 -42.5 -2.5 4.9 57.9 832 591 B G S X S+ 0 0 33 -3,-0.5 3,-1.0 -4,-0.4 -1,-0.1 0.378 75.6 117.5 106.0 -0.0 -3.8 5.5 61.4 833 592 B V T 3 + 0 0 51 -5,-0.4 -166,-0.1 1,-0.2 -4,-0.1 0.865 66.2 61.9 -64.4 -37.4 -3.3 9.3 61.3 834 593 B F T 3 S+ 0 0 3 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.2 0.391 80.4 103.9 -80.9 5.1 -7.0 10.1 61.7 835 594 B K < + 0 0 166 -3,-1.0 3,-0.1 1,-0.2 0, 0.0 -0.364 65.4 45.6 -75.4 164.9 -7.3 8.4 65.1 836 595 B G S S+ 0 0 83 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.775 79.1 137.5 70.9 25.6 -7.5 10.6 68.2 837 596 B R - 0 0 19 -3,-0.4 3,-0.4 1,-0.1 -1,-0.3 -0.763 54.6-134.5 -98.6 152.7 -10.0 13.0 66.7 838 597 B T S S+ 0 0 107 -2,-0.3 2,-1.7 1,-0.2 -1,-0.1 0.914 91.9 67.4 -73.5 -44.2 -12.9 14.3 68.7 839 598 B D S S- 0 0 46 1,-0.2 -1,-0.2 2,-0.0 5,-0.1 -0.135 119.9 -87.7 -80.7 44.4 -15.8 13.9 66.3 840 599 B D > - 0 0 96 -2,-1.7 4,-1.6 -3,-0.4 -1,-0.2 0.976 49.0-172.9 53.5 78.8 -15.8 10.1 66.2 841 600 B P H > S+ 0 0 22 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.830 78.1 57.5 -71.4 -32.7 -13.3 9.3 63.4 842 601 B A H > S+ 0 0 72 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.958 110.5 40.6 -63.2 -54.0 -14.0 5.5 63.4 843 602 B G H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.886 116.4 51.7 -62.2 -41.5 -17.7 5.8 62.7 844 603 B K H X S+ 0 0 20 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.954 111.4 46.0 -58.3 -52.9 -17.1 8.6 60.2 845 604 B I H X S+ 0 0 19 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.903 112.9 49.6 -59.2 -43.9 -14.4 6.6 58.3 846 605 B A H X S+ 0 0 56 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.909 110.9 51.0 -61.2 -42.0 -16.6 3.5 58.2 847 606 B K H X S+ 0 0 90 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.942 109.2 50.2 -58.5 -49.6 -19.5 5.6 57.0 848 607 B I H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.853 108.7 53.3 -59.3 -36.7 -17.3 7.0 54.2 849 608 B R H X S+ 0 0 61 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.915 111.5 44.3 -66.5 -42.0 -16.2 3.5 53.2 850 609 B E H X S+ 0 0 112 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.878 111.8 52.6 -70.8 -36.3 -19.9 2.4 52.9 851 610 B W H X S+ 0 0 57 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.833 112.7 48.0 -64.2 -33.5 -20.8 5.5 51.0 852 611 B H H >< S+ 0 0 39 -4,-1.7 3,-1.2 -5,-0.2 -2,-0.2 0.977 111.9 45.1 -69.3 -57.3 -17.9 4.7 48.7 853 612 B Q H 3< S+ 0 0 126 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.529 101.6 71.6 -70.5 -3.1 -18.7 1.1 48.1 854 613 B L H 3< S+ 0 0 112 -4,-0.8 2,-1.1 -5,-0.2 -1,-0.3 0.871 81.7 77.0 -73.1 -41.3 -22.4 2.1 47.6 855 614 B L << 0 0 86 -3,-1.2 -1,-0.1 -4,-0.7 -4,-0.0 -0.630 360.0 360.0 -77.0 98.7 -21.5 3.7 44.2 856 615 B Q 0 0 195 -2,-1.1 -2,-0.1 -3,-0.0 -3,-0.0 -0.688 360.0 360.0-157.9 360.0 -21.2 0.7 41.9