==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-FEB-10 3LNC . COMPND 2 MOLECULE: GUANYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANAPLASMA PHAGOCYTOPHILUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 376 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 7.7 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 . 4 1.1 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 . 30 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 1 3 2 3 2 3 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 . 2 3 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 0 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 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 0 110 0, 0.0 2,-0.1 0, 0.0 181,-0.0 0.000 360.0 360.0 360.0 -86.8 64.9 38.2 -14.9 2 2 A L - 0 0 52 1,-0.1 2,-0.2 174,-0.0 176,-0.1 -0.284 360.0-151.7 -80.8 130.0 62.4 37.4 -12.1 3 3 A K E -A 177 0A 64 174,-0.5 174,-2.7 -2,-0.1 2,-0.4 -0.612 12.7-145.9 -88.4 153.1 61.9 39.3 -8.9 4 4 A S E -A 176 0A 31 172,-0.2 172,-0.2 -2,-0.2 2,-0.1 -0.931 12.3-123.7-124.3 139.5 60.6 37.7 -5.7 5 5 A V - 0 0 32 170,-2.4 84,-0.2 -2,-0.4 83,-0.1 -0.473 45.4 -96.3 -73.5 152.6 58.4 39.1 -2.9 6 6 A G - 0 0 1 82,-2.5 2,-0.4 81,-0.2 87,-0.2 -0.230 31.8-129.1 -72.3 163.0 60.0 38.8 0.6 7 7 A V - 0 0 0 84,-0.1 87,-2.4 -3,-0.1 2,-0.9 -0.916 5.7-138.2-110.0 140.7 59.4 36.0 3.0 8 8 A I E -bc 94 114B 2 105,-3.0 107,-2.3 -2,-0.4 2,-0.7 -0.896 28.2-157.4 -90.0 99.9 58.4 36.5 6.7 9 9 A L E -bc 95 115B 3 85,-2.9 87,-3.1 -2,-0.9 2,-0.6 -0.771 7.5-166.0 -89.6 109.7 60.7 33.8 8.1 10 10 A V E -bc 96 116B 0 105,-3.0 107,-2.5 -2,-0.7 2,-0.4 -0.892 5.5-174.5-103.8 122.8 59.3 32.7 11.5 11 11 A L E -bc 97 117B 4 85,-3.0 87,-1.7 -2,-0.6 2,-0.4 -0.950 1.2-174.8-118.5 133.7 61.6 30.7 13.6 12 12 A S E + c 0 118B 1 105,-2.2 107,-3.3 -2,-0.4 87,-0.1 -0.977 7.1 168.8-127.8 144.4 60.6 29.1 16.9 13 13 A S - 0 0 29 -2,-0.4 107,-0.1 85,-0.2 87,-0.1 -0.904 26.0-157.1-134.8 155.9 62.7 27.2 19.4 14 14 A P S S+ 0 0 19 0, 0.0 -1,-0.2 0, 0.0 106,-0.1 0.717 95.3 55.4 -88.2 -53.8 61.9 26.1 22.8 15 15 A S 0 0 41 104,-0.2 105,-0.1 1,-0.2 121,-0.0 0.733 360.0 360.0 -47.8 -41.0 65.6 25.9 24.0 16 16 A G 0 0 96 114,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.742 360.0 360.0 92.0 360.0 66.1 29.5 23.0 17 ! 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 18 21 A T > 0 0 105 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -54.0 72.7 32.8 18.4 19 22 A V H > + 0 0 17 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.902 360.0 52.5 -65.8 -45.3 71.4 30.8 15.3 20 23 A A H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 108.1 53.2 -51.2 -48.1 69.3 33.8 14.3 21 24 A N H > S+ 0 0 63 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.947 109.4 47.8 -49.5 -52.9 72.7 35.7 14.6 22 25 A K H < S+ 0 0 33 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.874 108.6 54.9 -57.1 -41.9 74.3 33.2 12.3 23 26 A L H < S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 106.5 49.3 -64.5 -40.9 71.5 33.4 9.8 24 27 A L H < 0 0 69 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.717 360.0 360.0 -73.2 -23.5 71.7 37.2 9.3 25 28 A E < 0 0 124 -4,-1.2 -2,-0.2 -3,-0.4 -3,-0.1 0.948 360.0 360.0 -82.7 360.0 75.4 37.1 8.8 26 ! 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 27 33 A N 0 0 143 0, 0.0 66,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 42.8 68.3 39.3 1.6 28 34 A I E -d 93 0B 33 64,-0.2 2,-0.3 -4,-0.1 66,-0.2 -0.955 360.0-156.6-134.3 141.0 66.8 39.3 5.1 29 35 A V E -d 94 0B 65 64,-2.2 66,-2.8 -2,-0.4 2,-0.5 -0.878 26.2-114.2-115.0 150.1 66.6 41.9 7.9 30 36 A K E -d 95 0B 51 -2,-0.3 2,-0.3 64,-0.2 66,-0.1 -0.679 21.5-142.3 -84.4 127.2 66.1 41.1 11.6 31 37 A S - 0 0 37 64,-2.4 2,-0.5 -2,-0.5 66,-0.2 -0.681 12.5-145.7 -79.3 139.6 62.9 42.2 13.3 32 38 A V - 0 0 26 -2,-0.3 17,-0.1 64,-0.1 2,-0.1 -0.962 16.1-145.4-105.5 125.7 63.4 43.5 16.8 33 39 A S - 0 0 16 -2,-0.5 17,-2.7 15,-0.4 2,-0.4 -0.466 9.4-122.2 -85.1 157.7 60.5 42.7 19.2 34 40 A V E +gH 50 78C 6 44,-2.7 44,-2.2 15,-0.2 2,-0.3 -0.785 35.6 179.4 -90.3 141.5 59.1 44.7 22.0 35 41 A T E -gH 51 77C 0 15,-2.6 17,-2.4 -2,-0.4 42,-0.2 -0.992 35.6-149.9-141.9 152.5 59.0 43.1 25.4 36 42 A T S S+ 0 0 28 40,-2.1 18,-0.2 -2,-0.3 41,-0.1 0.520 70.2 102.7 -92.0 -7.2 58.0 43.8 29.0 37 43 A R S S- 0 0 18 39,-0.5 15,-0.1 1,-0.1 -2,-0.1 -0.354 82.6 -95.8 -72.7 156.1 60.7 41.6 30.6 38 44 A A - 0 0 83 1,-0.1 2,-0.2 13,-0.1 -1,-0.1 -0.374 41.6-102.9 -66.8 147.7 63.9 43.1 32.1 39 45 A A - 0 0 54 4,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.505 38.2-139.1 -66.0 138.9 67.0 43.2 30.0 40 46 A R > - 0 0 162 -2,-0.2 3,-2.4 1,-0.2 -1,-0.1 -0.522 39.9 -64.9 -96.7 170.6 69.5 40.5 30.9 41 47 A K T 3 S+ 0 0 111 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.268 124.7 15.0 -60.6 131.9 73.3 40.9 31.2 42 48 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.201 95.1 125.3 91.0 -17.2 74.7 41.7 27.8 43 49 A E < - 0 0 44 -3,-2.4 2,-0.4 4,-0.0 -1,-0.3 -0.488 43.7-156.7 -79.0 147.9 71.4 42.6 26.1 44 50 A K >>> - 0 0 147 -2,-0.1 4,-2.6 -3,-0.1 3,-1.8 -0.994 21.9-108.8-130.2 132.0 71.0 46.0 24.5 45 51 A E B 345S+j 49 0D 113 -2,-0.4 5,-0.2 1,-0.2 0, 0.0 -0.295 105.6 18.4 -47.9 133.0 68.0 48.1 23.7 46 52 A G T 345S+ 0 0 33 3,-2.3 -1,-0.2 -13,-0.2 4,-0.2 0.261 124.5 58.2 84.9 -10.4 67.2 48.2 20.0 47 53 A K T <45S+ 0 0 66 -3,-1.8 -2,-0.2 2,-0.5 -1,-0.1 0.734 119.6 17.3-113.0 -53.8 69.3 45.1 19.3 48 54 A D T <5S- 0 0 72 -4,-2.6 -15,-0.4 1,-0.4 2,-0.3 0.906 134.3 -30.3 -87.1 -48.5 67.9 42.3 21.4 49 55 A Y B < -j 45 0D 54 -5,-0.8 -3,-2.3 -17,-0.1 2,-0.7 -0.959 55.4-105.5-150.0 167.1 64.5 43.9 22.1 50 56 A Y E -g 34 0C 93 -17,-2.7 -15,-2.6 -2,-0.3 2,-0.6 -0.939 45.7-148.2 -89.5 115.3 62.8 47.2 22.6 51 57 A F E +g 35 0C 39 -2,-0.7 2,-0.2 -17,-0.2 -15,-0.2 -0.787 32.3 149.7 -94.5 118.4 62.4 47.0 26.4 52 58 A V - 0 0 40 -17,-2.4 2,-0.2 -2,-0.6 -2,-0.0 -0.798 42.7-100.9-135.7 173.6 59.3 48.8 27.8 53 59 A D > - 0 0 103 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.495 41.4 -98.0 -95.8 176.1 56.9 48.4 30.7 54 60 A R H > S+ 0 0 151 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.893 121.6 53.1 -62.7 -42.2 53.5 46.8 30.7 55 61 A E H > S+ 0 0 136 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.930 112.4 44.1 -56.8 -50.6 51.6 50.2 30.3 56 62 A E H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.890 111.1 54.4 -65.7 -38.0 53.7 51.2 27.3 57 63 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.971 111.1 45.2 -58.2 -52.6 53.4 47.8 25.7 58 64 A L H X S+ 0 0 65 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.904 111.0 53.8 -60.7 -37.1 49.6 48.0 26.0 59 65 A R H X S+ 0 0 109 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.937 107.8 50.5 -61.6 -43.6 49.7 51.6 24.7 60 66 A L H <>S+ 0 0 19 -4,-2.7 5,-1.9 1,-0.2 6,-0.6 0.929 110.7 48.6 -63.0 -45.3 51.7 50.5 21.6 61 67 A C H ><5S+ 0 0 32 -4,-2.3 3,-1.5 1,-0.2 5,-0.2 0.941 110.3 53.0 -55.5 -44.7 49.2 47.7 20.9 62 68 A S H 3<5S+ 0 0 95 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.761 107.1 51.0 -66.1 -27.0 46.3 50.2 21.3 63 69 A N T 3<5S- 0 0 62 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.264 117.9-105.3 -97.7 11.6 47.7 52.6 18.7 64 70 A G T < 5S+ 0 0 34 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.515 87.2 118.9 85.2 6.3 48.3 50.1 16.0 65 71 A E < + 0 0 95 -5,-1.9 16,-2.4 -6,-0.2 17,-0.5 0.567 63.0 65.0 -85.9 -7.9 52.1 49.9 16.3 66 72 A I E -I 80 0C 14 -6,-0.6 3,-0.1 14,-0.3 -2,-0.1 -0.962 55.1-174.5-119.1 126.1 52.2 46.1 17.2 67 73 A I E S+ 0 0 23 12,-2.8 2,-0.3 -2,-0.5 -1,-0.1 0.701 74.6 13.5 -94.0 -21.7 51.1 43.6 14.7 68 74 A E E +I 79 0C 10 11,-0.9 11,-2.0 2,-0.0 2,-0.3 -0.986 65.9 170.8-148.9 145.8 51.3 40.5 16.9 69 75 A H E +I 78 0C 96 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.989 2.7 172.9-153.9 156.1 51.7 40.0 20.6 70 76 A A E -I 77 0C 10 7,-2.3 7,-2.1 -2,-0.3 2,-0.6 -0.979 35.2-113.0-150.7 161.1 51.6 37.2 23.2 71 77 A E E -I 76 0C 112 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.902 36.1-175.7 -97.6 122.9 52.2 36.5 26.8 72 78 A V E > -I 75 0C 21 3,-2.8 3,-1.3 -2,-0.6 -2,-0.0 -0.981 65.7 -26.1-128.3 114.4 55.2 34.2 27.1 73 79 A F T 3 S- 0 0 140 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.874 129.1 -41.4 44.8 51.8 56.2 32.9 30.5 74 80 A G T 3 S+ 0 0 52 1,-0.2 2,-0.3 -37,-0.0 -1,-0.2 0.469 122.2 84.6 85.5 3.3 54.8 35.9 32.4 75 81 A N E < S- I 0 72C 53 -3,-1.3 -3,-2.8 -38,-0.0 2,-0.3 -0.937 73.6-113.6-134.0 155.5 55.8 38.8 30.1 76 82 A F E + I 0 71C 26 -2,-0.3 -40,-2.1 -5,-0.2 -39,-0.5 -0.689 30.0 179.8 -84.9 143.4 54.5 40.4 26.9 77 83 A Y E +HI 35 70C 41 -7,-2.1 -7,-2.3 -2,-0.3 2,-0.3 -0.985 6.4 172.8-140.8 142.7 56.3 40.2 23.6 78 84 A G E -HI 34 69C 0 -44,-2.2 -44,-2.7 -2,-0.3 -9,-0.2 -0.996 30.8-122.8-154.7 151.5 55.2 41.7 20.3 79 85 A V E - I 0 68C 0 -11,-2.0 -12,-2.8 -2,-0.3 -11,-0.9 -0.861 34.0-122.1 -96.6 123.6 56.3 42.4 16.7 80 86 A P E - I 0 66C 24 0, 0.0 -14,-0.3 0, 0.0 4,-0.1 -0.402 8.7-142.9 -65.3 138.4 56.3 46.0 15.6 81 87 A R >> + 0 0 126 -16,-2.4 3,-1.8 -2,-0.1 4,-0.5 0.871 62.8 121.0 -66.8 -34.9 54.1 46.6 12.5 82 88 A K T 34 S- 0 0 75 -17,-0.5 -17,-0.0 1,-0.3 -15,-0.0 -0.004 89.0 -19.5 -45.2 112.0 56.7 49.2 11.1 83 89 A N T 3> S+ 0 0 117 1,-0.1 4,-3.4 4,-0.0 -1,-0.3 0.320 101.0 114.7 78.2 -2.9 58.1 48.3 7.6 84 90 A L H <> S+ 0 0 8 -3,-1.8 4,-1.9 2,-0.2 -2,-0.1 0.987 85.6 30.8 -64.4 -61.2 57.1 44.6 7.8 85 91 A E H X S+ 0 0 64 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.892 118.2 60.2 -65.7 -39.2 54.6 44.6 5.0 86 92 A D H > S+ 0 0 38 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.951 106.3 46.4 -43.1 -56.5 56.6 47.3 3.3 87 93 A N H X>S+ 0 0 33 -4,-3.4 5,-2.8 1,-0.2 4,-0.6 0.852 106.0 57.5 -64.5 -39.0 59.6 45.0 3.2 88 94 A V H ><5S+ 0 0 3 -4,-1.9 -82,-2.5 1,-0.2 3,-1.2 0.920 106.8 49.7 -55.5 -46.7 57.6 42.1 1.8 89 95 A D H 3<5S+ 0 0 124 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.795 108.7 54.0 -61.5 -29.2 56.5 44.2 -1.2 90 96 A K H 3<5S- 0 0 161 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.503 119.5-107.5 -85.5 -5.8 60.2 45.3 -1.8 91 97 A G T <<5S+ 0 0 16 -3,-1.2 2,-0.5 -4,-0.6 -3,-0.2 0.594 77.1 136.6 85.6 14.3 61.4 41.7 -1.9 92 98 A V < - 0 0 32 -5,-2.8 -1,-0.3 -6,-0.2 -86,-0.2 -0.829 45.8-142.1 -99.6 128.6 63.1 42.0 1.4 93 99 A S E - d 0 28B 1 -66,-2.5 -64,-2.2 -2,-0.5 2,-0.4 -0.495 9.2-146.5 -84.6 154.7 62.6 39.1 3.9 94 100 A T E -bd 8 29B 6 -87,-2.4 -85,-2.9 -66,-0.2 2,-0.6 -0.988 4.6-141.5-125.3 134.1 62.1 39.5 7.6 95 101 A L E -bd 9 30B 5 -66,-2.8 -64,-2.4 -2,-0.4 2,-0.5 -0.861 19.0-176.8 -93.4 121.5 63.4 37.2 10.4 96 102 A L E -b 10 0B 1 -87,-3.1 -85,-3.0 -2,-0.6 2,-0.7 -0.982 10.5-166.7-116.1 121.8 61.0 36.8 13.3 97 103 A V E +b 11 0B 77 -2,-0.5 2,-0.2 -66,-0.2 -85,-0.2 -0.914 36.7 142.9-111.1 100.3 62.1 34.7 16.3 98 104 A I - 0 0 20 -87,-1.7 -85,-0.2 -2,-0.7 -2,-0.1 -0.807 49.6 -96.4-138.9 164.5 58.9 34.1 18.2 99 105 A D > - 0 0 19 -2,-0.2 4,-2.5 -87,-0.1 5,-0.2 -0.161 49.6 -90.4 -80.9-179.8 57.0 31.5 20.2 100 106 A W H > S+ 0 0 51 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.849 125.7 59.0 -64.5 -34.0 54.3 29.2 18.8 101 107 A Q H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 111.0 42.4 -59.1 -44.3 51.5 31.6 19.7 102 108 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.910 113.4 51.1 -67.4 -42.5 53.2 34.2 17.4 103 109 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.898 110.2 50.5 -61.4 -42.6 54.0 31.7 14.7 104 110 A F H X S+ 0 0 45 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.922 109.1 51.2 -61.8 -43.5 50.4 30.5 14.7 105 111 A K H X S+ 0 0 94 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.944 112.1 46.4 -61.1 -47.7 49.1 34.1 14.4 106 112 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.903 111.5 50.7 -60.5 -44.2 51.4 34.8 11.4 107 113 A M H < S+ 0 0 19 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.861 115.1 44.8 -62.6 -35.1 50.5 31.6 9.7 108 114 A E H < S+ 0 0 143 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.903 123.3 32.6 -72.5 -45.5 46.8 32.5 10.2 109 115 A M H < S+ 0 0 68 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.781 134.5 21.1 -90.0 -24.2 46.9 36.1 9.2 110 116 A M S >X S+ 0 0 38 -4,-2.8 3,-2.0 -5,-0.3 4,-1.1 -0.230 70.7 151.4-140.4 43.2 49.7 36.2 6.5 111 117 A R G >4 + 0 0 106 -4,-0.3 3,-0.6 -3,-0.3 -1,-0.1 0.816 70.0 56.3 -48.2 -45.0 49.9 32.6 5.3 112 118 A E G 34 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.668 114.8 37.1 -67.7 -20.9 51.1 33.4 1.7 113 119 A H G <4 S+ 0 0 72 -3,-2.0 -105,-3.0 -7,-0.2 2,-0.3 0.524 100.1 91.9-107.4 -6.2 54.1 35.4 2.9 114 120 A V E << -c 8 0B 2 -4,-1.1 2,-0.4 -3,-0.6 -105,-0.2 -0.650 44.6-176.1 -99.3 138.6 55.1 33.3 6.0 115 121 A V E -c 9 0B 0 -107,-2.3 -105,-3.0 -2,-0.3 2,-0.4 -0.985 17.3-160.2-126.6 123.1 57.5 30.4 6.1 116 122 A S E -c 10 0B 0 -2,-0.4 32,-2.1 -107,-0.2 2,-0.4 -0.879 10.5-176.5-113.6 137.2 57.7 28.8 9.6 117 123 A I E -ce 11 148B 0 -107,-2.5 -105,-2.2 -2,-0.4 2,-0.5 -0.999 12.9-152.6-133.6 126.0 60.5 26.6 11.0 118 124 A F E -ce 12 149B 1 30,-2.4 32,-2.4 -2,-0.4 2,-0.7 -0.882 10.5-147.5-100.9 126.6 60.5 24.8 14.3 119 125 A I E - e 0 150B 11 -107,-3.3 -104,-0.2 -2,-0.5 32,-0.2 -0.897 19.4-160.0 -98.1 108.4 64.0 24.2 15.8 120 126 A M E - e 0 151B 1 30,-3.0 32,-3.4 -2,-0.7 -107,-0.0 -0.711 15.3-124.6 -92.1 133.8 63.8 21.0 17.8 121 127 A P - 0 0 2 0, 0.0 32,-0.1 0, 0.0 3,-0.1 -0.398 25.6-119.2 -70.2 156.8 66.2 20.0 20.6 122 128 A P S S- 0 0 11 0, 0.0 2,-0.3 0, 0.0 31,-0.1 0.748 86.2 -13.9 -71.5 -23.5 67.9 16.6 20.0 123 129 A S > - 0 0 20 1,-0.1 4,-2.1 257,-0.0 5,-0.1 -0.969 66.7-104.5-164.5 167.6 66.5 15.1 23.2 124 130 A M H > S+ 0 0 40 255,-0.4 4,-2.9 -2,-0.3 5,-0.2 0.888 119.4 55.5 -66.2 -40.5 64.8 16.2 26.4 125 131 A E H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 110.2 46.0 -62.0 -41.7 68.0 15.6 28.4 126 132 A E H > S+ 0 0 36 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.895 111.1 52.5 -67.5 -39.1 69.8 18.0 26.0 127 133 A L H >< S+ 0 0 10 -4,-2.1 3,-1.1 2,-0.2 -2,-0.2 0.914 108.3 51.0 -59.0 -45.3 66.9 20.5 26.3 128 134 A R H 3< S+ 0 0 161 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.915 107.2 53.3 -58.8 -42.5 67.2 20.4 30.1 129 135 A R H 3< 0 0 180 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.627 360.0 360.0 -68.0 -11.7 71.0 21.0 29.9 130 136 A R << 0 0 102 -3,-1.1 -114,-0.0 -4,-0.6 -3,-0.0 -0.665 360.0 360.0-109.2 360.0 70.2 24.2 27.7 131 ! 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 0.0 132 151 A R > 0 0 127 0, 0.0 4,-1.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -43.4 60.2 25.1 33.0 133 152 A L H > + 0 0 40 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.671 360.0 64.2 -81.3 -23.6 60.8 22.1 30.8 134 153 A K H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 102.2 50.1 -63.8 -38.9 57.0 21.4 30.9 135 154 A G H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.886 110.0 49.4 -64.6 -40.6 56.6 24.7 29.1 136 155 A A H X S+ 0 0 8 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.913 109.5 51.6 -66.5 -44.3 59.2 23.6 26.5 137 156 A A H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.889 110.2 49.5 -59.1 -40.1 57.4 20.3 26.0 138 157 A F H < S+ 0 0 98 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.950 110.6 49.6 -65.9 -44.1 54.1 22.1 25.5 139 158 A E H >< S+ 0 0 20 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.960 109.4 53.0 -56.7 -49.2 55.7 24.5 22.9 140 159 A I H >< S+ 0 0 0 -4,-2.6 3,-2.3 1,-0.3 -1,-0.2 0.826 94.7 69.3 -56.5 -33.6 57.2 21.4 21.1 141 160 A S T 3< S+ 0 0 42 -4,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.644 93.0 59.9 -63.8 -14.1 53.8 19.8 20.9 142 161 A H T X S+ 0 0 29 -3,-2.2 3,-1.7 -4,-0.4 -1,-0.3 0.421 74.2 101.6 -90.5 3.1 52.9 22.6 18.3 143 162 A C G X + 0 0 0 -3,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.775 66.9 68.9 -56.4 -35.2 55.7 21.6 15.9 144 163 A E G 3 S+ 0 0 77 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.759 92.7 58.7 -63.6 -22.5 53.4 19.8 13.6 145 164 A A G < S+ 0 0 49 -3,-1.7 -1,-0.3 221,-0.0 2,-0.2 0.536 88.6 95.5 -79.9 -9.3 51.8 23.0 12.5 146 165 A Y S < S- 0 0 4 -3,-2.0 220,-0.2 -4,-0.2 -29,-0.1 -0.526 77.1-129.9 -84.4 151.7 55.1 24.5 11.3 147 166 A D S S+ 0 0 36 -31,-0.4 219,-2.3 -2,-0.2 220,-0.5 0.914 89.9 16.6 -65.9 -43.6 56.2 24.3 7.6 148 167 A Y E -eF 117 365B 0 -32,-2.1 -30,-2.4 217,-0.3 2,-0.4 -0.909 63.0-158.5-127.9 156.1 59.7 22.8 8.4 149 168 A V E -e 118 0B 3 215,-2.0 2,-0.4 -2,-0.3 -30,-0.2 -0.997 8.9-173.9-134.8 136.7 61.3 21.1 11.4 150 169 A I E -e 119 0B 4 -32,-2.4 -30,-3.0 -2,-0.4 2,-0.6 -1.000 22.7-134.1-131.4 131.9 65.1 20.9 12.1 151 170 A V E -e 120 0B 35 -2,-0.4 2,-1.4 -32,-0.2 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103.3 59.7 12.5 -6.2 202 9 B L E -lm 287 307E 3 84,-2.6 86,-3.0 -2,-0.9 2,-0.6 -0.781 5.7-163.5 -93.3 112.9 61.6 15.4 -7.8 203 10 B V E -lm 288 308E 0 104,-3.2 106,-2.7 -2,-0.7 2,-0.4 -0.894 6.5-173.7-103.2 119.4 60.1 16.3 -11.1 204 11 B L E +lm 289 309E 7 84,-2.9 86,-1.6 -2,-0.6 2,-0.4 -0.959 5.2 178.6-112.3 133.4 62.3 18.5 -13.4 205 12 B S E + m 0 310E 2 104,-2.1 106,-3.3 -2,-0.4 86,-0.1 -0.971 7.9 164.3-129.2 150.6 61.0 19.9 -16.7 206 13 B S - 0 0 55 -2,-0.4 2,-0.3 84,-0.2 86,-0.2 -0.846 55.7 -66.4-139.7 178.7 62.4 22.1 -19.4 207 14 B P 0 0 17 0, 0.0 122,-0.1 0, 0.0 123,-0.0 -0.629 360.0 360.0 -64.7 136.0 61.4 22.9 -22.9 208 15 B S 0 0 92 -2,-0.3 124,-0.1 120,-0.1 121,-0.0 -0.320 360.0 360.0 -70.3 360.0 61.9 19.6 -24.8 209 ! 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 0.0 210 21 B T > 0 0 86 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -85.1 72.9 18.0 -18.6 211 22 B V H > + 0 0 21 2,-0.2 4,-1.7 1,-0.2 0, 0.0 0.946 360.0 53.3 -68.0 -45.2 71.4 19.5 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R T 3< 0 0 78 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.067 360.0 360.0 -87.7 24.2 69.9 28.1 -30.6 322 136 B R < 0 0 121 -3,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.186 360.0 360.0-134.4 360.0 69.6 24.9 -28.5 323 ! 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 0.0 324 150 B A > 0 0 129 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -28.5 56.8 26.0 -35.5 325 151 B R H > + 0 0 85 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.884 360.0 50.8 -64.1 -41.2 59.2 24.5 -32.9 326 152 B L H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.868 108.2 53.3 -65.4 -36.3 59.6 27.8 -31.0 327 153 B K H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 108.6 51.2 -60.9 -42.5 55.8 28.0 -30.8 328 154 B G H X S+ 0 0 19 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.892 111.0 46.9 -58.5 -44.6 55.9 24.4 -29.4 329 155 B A H X S+ 0 0 9 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.900 108.6 54.4 -67.9 -43.3 58.4 25.4 -26.7 330 156 B A H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.891 107.7 51.2 -58.9 -39.9 56.5 28.6 -25.8 331 157 B F H X S+ 0 0 100 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.932 110.9 47.4 -63.0 -45.2 53.5 26.5 -25.1 332 158 B E H >< S+ 0 0 7 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.969 111.3 52.2 -57.5 -51.2 55.5 24.1 -22.9 333 159 B I H >< S+ 0 0 1 -4,-3.0 3,-2.6 1,-0.3 4,-0.2 0.826 94.4 70.7 -55.3 -35.2 56.9 27.1 -21.0 334 160 B S H >< S+ 0 0 49 -4,-1.8 3,-0.7 1,-0.3 -1,-0.3 0.768 91.0 62.6 -56.1 -23.5 53.4 28.5 -20.4 335 161 B H G X< S+ 0 0 26 -3,-1.9 3,-2.1 -4,-0.6 -1,-0.3 0.561 72.4 94.6 -80.4 -4.8 52.9 25.7 -18.0 336 162 B C G X S+ 0 0 0 -3,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.777 70.3 73.1 -63.3 -22.5 55.7 26.8 -15.6 337 163 B E G < S+ 0 0 75 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.713 93.5 54.2 -59.1 -22.9 53.2 28.7 -13.5 338 164 B A G < S+ 0 0 51 -3,-2.1 -1,-0.3 -4,-0.1 2,-0.2 0.449 89.5 97.9 -91.3 -5.9 51.8 25.4 -12.2 339 165 B Y S < S- 0 0 5 -3,-1.7 -166,-0.2 -4,-0.3 -30,-0.1 -0.540 77.9-127.4 -83.1 154.6 55.2 24.2 -11.0 340 166 B D S S+ 0 0 35 -32,-0.4 -167,-2.5 -2,-0.2 -166,-0.4 0.904 92.3 18.4 -66.7 -40.8 56.3 24.5 -7.3 341 167 B Y E -Ko 172 309E 0 -33,-2.0 -31,-2.6 -169,-0.3 2,-0.4 -0.963 62.7-160.3-132.1 150.7 59.6 26.2 -8.3 342 168 B V E - o 0 310E 2 -171,-1.5 2,-0.4 -2,-0.3 -31,-0.2 -0.995 10.6-175.8-130.7 135.3 61.0 28.0 -11.4 343 169 B I E - o 0 311E 4 -33,-2.4 -31,-3.0 -2,-0.4 2,-0.6 -0.998 22.3-136.1-132.4 133.6 64.7 28.5 -12.1 344 170 B V E - o 0 312E 29 -2,-0.4 2,-1.6 -33,-0.2 3,-0.3 -0.809 22.3-136.6 -89.3 124.4 66.3 30.5 -14.9 345 171 B N + 0 0 46 -33,-3.1 3,-0.2 -2,-0.6 -1,-0.0 -0.597 49.8 142.5 -87.8 78.8 69.2 28.4 -16.3 346 172 B E S S+ 0 0 137 -2,-1.6 2,-0.4 1,-0.3 -1,-0.2 0.846 78.6 19.3 -77.3 -39.1 71.9 31.0 -16.8 347 173 B D S > S- 0 0 81 -3,-0.3 4,-2.9 1,-0.1 -1,-0.3 -0.989 71.0-142.2-140.7 121.0 74.7 28.6 -15.6 348 174 B I H > S+ 0 0 77 -2,-0.4 4,-2.5 1,-0.2 5,-0.1 0.872 103.3 46.8 -53.6 -43.7 74.3 24.8 -15.6 349 175 B E H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 111.9 49.9 -69.5 -44.5 76.3 24.4 -12.4 350 176 B E H > S+ 0 0 90 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.932 111.0 50.6 -54.7 -49.0 74.4 27.2 -10.6 351 177 B T H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.937 109.8 50.7 -56.3 -45.7 71.1 25.6 -11.7 352 178 B A H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.904 110.8 48.3 -56.4 -47.1 72.4 22.2 -10.3 353 179 B D H X S+ 0 0 81 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.905 111.4 50.3 -63.1 -39.9 73.3 23.8 -6.9 354 180 B R H X S+ 0 0 90 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.913 111.8 47.1 -66.3 -40.6 69.9 25.6 -6.7 355 181 B I H X S+ 0 0 3 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.939 110.8 51.7 -63.4 -45.2 68.0 22.3 -7.4 356 182 B S H X S+ 0 0 42 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.893 110.1 51.3 -58.8 -36.0 70.2 20.5 -4.9 357 183 B N H X S+ 0 0 26 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.888 109.5 48.4 -66.0 -41.0 69.3 23.3 -2.4 358 184 B I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.894 110.4 51.5 -66.5 -42.7 65.5 22.9 -3.1 359 185 B L H X S+ 0 0 19 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.922 110.8 48.3 -58.4 -45.6 65.7 19.1 -2.7 360 186 B R H < S+ 0 0 93 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.863 112.4 49.0 -64.9 -39.0 67.5 19.6 0.7 361 187 B A H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.954 108.7 51.9 -65.3 -50.9 64.9 22.1 1.9 362 188 B E H >< S+ 0 0 5 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.802 99.7 64.3 -59.0 -28.8 62.0 19.9 0.9 363 189 B Q T 3< S+ 0 0 46 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.720 99.2 55.0 -69.1 -16.6 63.4 17.0 2.8 364 190 B M T < S+ 0 0 11 -3,-2.0 -215,-2.0 -4,-0.4 -1,-0.3 0.330 77.1 128.4 -96.8 5.6 63.0 19.0 6.1 365 191 B K B X -F 148 0B 32 -3,-1.5 3,-1.4 -217,-0.2 4,-0.4 -0.434 60.2-137.6 -64.5 131.6 59.2 19.7 5.5 366 192 B T G > S+ 0 0 7 -219,-2.3 3,-1.6 1,-0.3 -1,-0.1 0.863 100.0 62.9 -60.4 -39.0 57.3 18.7 8.5 367 193 B C G 3 S+ 0 0 108 -220,-0.5 -1,-0.3 1,-0.3 -219,-0.1 0.674 98.5 57.8 -64.2 -16.5 54.5 17.1 6.5 368 194 B R G < S+ 0 0 33 -3,-1.4 2,-0.5 -6,-0.2 -1,-0.3 0.527 82.0 94.0 -90.6 -8.2 57.1 14.5 5.2 369 195 B Q S X S- 0 0 22 -3,-1.6 3,-0.5 -4,-0.4 2,-0.4 -0.726 70.5-146.7 -80.9 125.9 58.1 13.2 8.6 370 196 B V T 3 S+ 0 0 140 -2,-0.5 -174,-0.2 1,-0.2 -2,-0.1 -0.802 76.0 12.4 -93.7 141.5 55.9 10.1 9.5 371 197 B G T 3> S+ 0 0 43 -2,-0.4 4,-2.3 3,-0.1 -1,-0.2 0.732 78.3 143.1 71.7 25.5 55.0 9.5 13.1 372 198 B L H <> + 0 0 11 -3,-0.5 4,-2.9 1,-0.2 5,-0.2 0.917 68.1 52.5 -63.9 -44.1 56.0 12.9 14.3 373 199 B R H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 112.3 45.3 -59.1 -44.1 53.2 13.3 16.8 374 200 B E H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 111.6 53.7 -68.1 -39.0 54.0 9.9 18.4 375 201 B L H X S+ 0 0 35 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.959 110.8 45.3 -57.9 -51.0 57.7 10.8 18.4 376 202 B L H X S+ 0 0 7 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.891 110.9 53.7 -63.9 -39.0 57.1 14.1 20.2 377 203 B E H < S+ 0 0 147 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.870 116.0 39.1 -61.4 -38.5 54.7 12.4 22.7 378 204 B S H < S+ 0 0 84 -4,-2.0 -2,-0.2 -3,-0.2 -1,-0.2 0.879 125.9 33.4 -78.1 -40.1 57.4 9.8 23.5 379 205 B R H < S+ 0 0 102 -4,-2.9 -255,-0.4 1,-0.2 -3,-0.2 0.735 131.6 27.0 -95.6 -26.4 60.5 12.0 23.5 380 206 B F S < S- 0 0 5 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.466 83.0-175.9-130.5 60.4 59.1 15.3 24.8 381 207 B P - 0 0 66 0, 0.0 2,-0.5 0, 0.0 -244,-0.1 -0.290 25.8-126.4 -65.3 136.6 56.1 14.2 26.9 382 208 B I 0 0 98 -245,-0.2 -248,-0.1 -244,-0.1 -247,-0.1 -0.754 360.0 360.0 -77.1 124.5 53.9 16.9 28.5 383 209 B E 0 0 126 -2,-0.5 -245,-0.0 -249,-0.0 -1,-0.0 -0.455 360.0 360.0-123.3 360.0 53.6 16.2 32.3