==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 02-MAR-95 3PMG . COMPND 2 MOLECULE: ALPHA-D-GLUCOSE-1,6-BISPHOSPHATE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR W.J.RAY JUNIOR,Y.LIU,S.BARANIDHARAN . 1122 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 827 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 93 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 2 4 1 6 4 3 4 2 2 2 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 6 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 . 6 5 1 10 7 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 7 0 1 3 2 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 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 V 0 0 58 0, 0.0 176,-3.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 129.8 11.8 46.9 52.4 2 2 A K - 0 0 113 174,-0.2 2,-0.5 1,-0.0 159,-0.3 -0.587 360.0-146.3 -86.8 149.6 9.9 46.2 55.7 3 3 A I - 0 0 36 -2,-0.2 2,-0.3 156,-0.2 156,-0.2 -0.950 22.4-177.5-111.4 124.7 9.7 48.4 58.7 4 4 A V E -A 158 0A 56 154,-3.2 154,-2.7 -2,-0.5 2,-0.4 -0.839 22.8-132.5-123.3 152.2 9.5 46.7 62.0 5 5 A T E -A 157 0A 82 -2,-0.3 2,-0.5 152,-0.2 152,-0.2 -0.871 18.3-160.7-102.2 136.9 9.1 47.9 65.7 6 6 A V E -A 156 0A 39 150,-2.8 150,-1.9 -2,-0.4 2,-0.2 -0.972 12.7-139.0-120.1 112.8 11.6 46.4 68.3 7 7 A K E +A 155 0A 121 -2,-0.5 148,-0.3 148,-0.2 2,-0.3 -0.501 34.7 167.6 -68.9 139.0 10.6 46.6 72.0 8 8 A T - 0 0 13 146,-3.1 2,-0.4 -2,-0.2 25,-0.1 -0.866 32.2-118.3-141.9 177.6 13.6 47.5 74.1 9 9 A K - 0 0 170 -2,-0.3 145,-0.1 146,-0.0 144,-0.1 -0.990 35.4-107.0-126.1 136.8 14.5 48.6 77.6 10 10 A A - 0 0 42 143,-0.5 141,-0.2 -2,-0.4 140,-0.1 -0.233 20.7-140.1 -61.6 142.8 16.2 51.9 78.5 11 11 A Y - 0 0 57 139,-0.7 3,-0.2 23,-0.1 142,-0.1 -0.676 11.3-140.0 -92.5 156.4 19.8 52.1 79.6 12 12 A P S S+ 0 0 104 0, 0.0 139,-0.1 0, 0.0 -1,-0.1 0.674 88.0 52.7 -94.7 -11.6 20.5 54.7 82.5 13 13 A D + 0 0 64 137,-0.1 2,-2.0 1,-0.1 138,-0.0 0.119 59.2 116.4-111.4 14.0 23.8 56.1 81.2 14 14 A Q + 0 0 0 -3,-0.2 136,-0.2 133,-0.1 137,-0.1 -0.342 37.9 148.6 -81.4 59.6 23.5 57.3 77.6 15 15 A K - 0 0 100 -2,-2.0 7,-0.3 7,-0.1 2,-0.2 -0.861 41.2-138.1 -98.3 114.8 24.2 61.0 78.5 16 16 A P - 0 0 12 0, 0.0 5,-0.3 0, 0.0 131,-0.1 -0.495 14.2-154.1 -71.7 139.0 26.0 62.8 75.7 17 17 A G B > -B 20 0B 42 3,-2.6 3,-1.4 -2,-0.2 4,-0.0 -0.108 46.5 -76.4 -92.7-159.9 28.8 65.1 76.6 18 18 A T T 3 S+ 0 0 72 1,-0.3 3,-0.1 -2,-0.1 -1,-0.0 0.692 138.7 50.3 -73.2 -12.8 30.0 68.2 74.6 19 19 A S T 3 S- 0 0 45 1,-0.4 -1,-0.3 118,-0.1 109,-0.1 -0.090 120.5-111.2-110.3 34.1 31.6 65.6 72.4 20 20 A G B < -B 17 0B 10 -3,-1.4 -3,-2.6 118,-0.2 2,-0.9 -0.156 66.8 -23.7 65.9-165.8 28.5 63.4 72.0 21 21 A L E -C 128 0C 1 107,-2.2 107,-1.5 -5,-0.3 2,-0.6 -0.672 64.6-174.2 -84.1 108.1 28.2 60.0 73.6 22 22 A R E +C 127 0C 59 -2,-0.9 2,-0.3 -7,-0.3 105,-0.2 -0.799 15.1 148.8-103.3 121.7 31.6 58.3 74.3 23 23 A K E -C 126 0C 46 103,-2.0 103,-2.9 -2,-0.6 2,-0.2 -0.838 54.3 -79.2-138.0 175.5 31.8 54.6 75.6 24 24 A R E > -C 125 0C 128 -2,-0.3 4,-1.4 101,-0.2 3,-0.4 -0.634 44.7-120.7 -73.9 139.8 34.2 51.6 75.3 25 25 A V H > S+ 0 0 2 99,-3.5 4,-2.9 -2,-0.2 5,-0.5 0.777 111.6 67.0 -53.1 -23.9 33.5 49.8 71.9 26 26 A K H > S+ 0 0 115 98,-0.3 4,-2.7 2,-0.2 5,-0.3 0.988 100.6 46.6 -58.4 -60.0 32.6 46.7 74.0 27 27 A V H > S+ 0 0 26 -3,-0.4 4,-2.8 1,-0.2 7,-0.2 0.937 115.6 49.3 -48.5 -48.4 29.5 48.4 75.4 28 28 A F H < S+ 0 0 3 -4,-1.4 7,-0.6 2,-0.2 -2,-0.2 0.932 116.9 33.1 -62.0 -57.6 28.5 49.6 72.0 29 29 A Q H < S+ 0 0 71 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.902 130.6 35.5 -73.8 -26.8 28.8 46.6 69.8 30 30 A S H < S+ 0 0 85 -4,-2.7 2,-0.6 -5,-0.5 -2,-0.2 0.716 82.6 87.0-108.3 -14.4 27.7 44.3 72.6 31 31 A S S >< S- 0 0 40 -4,-2.8 3,-3.0 -5,-0.3 4,-0.4 -0.722 93.2 -97.7 -82.3 119.6 25.0 45.5 75.2 32 32 A T T 3 S- 0 0 108 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.1 -0.081 99.1 -9.5 -40.4 120.9 21.7 44.6 73.6 33 33 A N T 3> S+ 0 0 24 -4,-0.1 4,-2.5 1,-0.1 -1,-0.3 0.560 94.0 130.3 62.8 18.2 20.2 47.5 71.8 34 34 A Y H <> S+ 0 0 3 -3,-3.0 4,-1.8 -7,-0.2 -6,-0.1 0.978 81.4 32.8 -60.9 -54.6 22.8 49.9 73.4 35 35 A A H > S+ 0 0 3 -7,-0.6 4,-2.9 -4,-0.4 3,-0.3 0.966 119.1 53.2 -62.2 -54.5 23.7 51.5 70.1 36 36 A E H > S+ 0 0 41 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.846 108.7 49.8 -56.0 -38.7 20.1 51.2 68.6 37 37 A N H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.3 0.926 112.6 47.1 -71.2 -38.5 18.5 52.9 71.5 38 38 A F H X S+ 0 0 2 -4,-1.8 4,-2.0 -3,-0.3 -2,-0.2 0.964 114.3 45.4 -68.7 -47.5 21.0 55.8 71.4 39 39 A I H X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.3 5,-0.2 0.938 113.9 49.9 -59.7 -46.8 20.6 56.3 67.5 40 40 A Q H X S+ 0 0 9 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.3 0.867 108.2 54.8 -61.0 -31.5 16.8 56.0 67.8 41 41 A S H X S+ 0 0 0 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.901 107.0 49.7 -69.3 -38.1 17.0 58.6 70.6 42 42 A I H >< S+ 0 0 2 -4,-2.0 3,-1.7 2,-0.2 4,-0.4 0.968 111.3 48.0 -63.2 -48.6 18.8 61.1 68.4 43 43 A I H >< S+ 0 0 2 -4,-2.2 3,-2.8 1,-0.3 -2,-0.2 0.916 101.9 65.5 -63.3 -33.9 16.3 60.7 65.5 44 44 A S H 3< S+ 0 0 45 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.748 88.0 67.2 -61.9 -20.2 13.4 61.2 68.0 45 45 A T T << S+ 0 0 32 -3,-1.7 2,-0.7 -4,-0.7 -1,-0.3 0.720 86.1 83.9 -70.6 -14.6 14.6 64.7 68.5 46 46 A V S < S- 0 0 9 -3,-2.8 5,-0.1 -4,-0.4 -1,-0.0 -0.747 93.1-120.1 -87.9 117.4 13.5 65.3 64.9 47 47 A E >> - 0 0 99 -2,-0.7 3,-2.6 1,-0.1 4,-0.5 -0.377 19.6-121.0 -60.1 124.8 9.8 66.0 64.9 48 48 A P G >4 S+ 0 0 93 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.724 109.5 55.1 -28.7 -52.7 7.8 63.5 62.8 49 49 A A G 34 S+ 0 0 82 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.771 106.4 52.0 -58.8 -34.8 6.4 66.1 60.4 50 50 A Q G <> S+ 0 0 104 -3,-2.6 4,-0.5 1,-0.2 -1,-0.3 0.476 88.7 84.5 -86.0 -0.1 9.8 67.3 59.5 51 51 A R T X< S+ 0 0 28 -3,-1.7 32,-2.4 -4,-0.5 3,-0.9 0.922 76.0 60.0 -73.3 -39.7 11.4 64.0 58.6 52 52 A Q T 34 S+ 0 0 66 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.932 114.3 38.7 -54.4 -43.2 10.5 63.3 54.9 53 53 A E T 34 S+ 0 0 171 -4,-0.3 -1,-0.3 30,-0.1 -2,-0.2 0.608 99.2 106.1 -84.3 -12.4 12.1 66.4 53.8 54 54 A A << - 0 0 9 -3,-0.9 30,-1.5 -4,-0.5 2,-0.4 -0.319 49.8-159.3 -74.6 148.9 15.1 66.1 56.2 55 55 A T E -d 84 0D 14 51,-0.2 53,-2.3 28,-0.2 54,-0.9 -0.992 3.2-167.9-125.9 132.4 18.7 65.1 55.4 56 56 A L E -de 85 109D 3 28,-1.9 30,-2.5 -2,-0.4 2,-0.4 -0.933 14.5-142.8-117.2 141.6 21.3 63.8 57.8 57 57 A V E -de 86 110D 0 52,-1.5 54,-2.5 -2,-0.4 2,-0.4 -0.787 21.3-167.3 -95.4 140.4 25.0 63.6 57.0 58 58 A V E +de 87 111D 0 28,-2.3 30,-1.3 -2,-0.4 2,-0.3 -0.995 20.9 127.7-130.9 138.2 26.7 60.5 58.5 59 59 A G E - e 0 112D 0 52,-1.8 54,-2.1 -2,-0.4 2,-0.3 -0.905 25.9-156.9 178.3 154.6 30.4 59.7 58.7 60 60 A G E -de 92 113D 0 31,-2.5 33,-2.0 -2,-0.3 54,-0.2 -0.794 36.9 -99.8-137.0-176.1 33.4 58.7 60.7 61 61 A D - 0 0 2 52,-2.0 166,-0.1 -2,-0.3 53,-0.1 0.321 63.4-106.3 -85.5 10.9 37.0 58.6 61.3 62 62 A G + 0 0 10 51,-0.3 5,-0.1 1,-0.2 3,-0.1 0.398 69.6 146.6 81.0 -6.2 37.5 55.0 60.0 63 63 A R > - 0 0 1 50,-0.3 3,-1.7 1,-0.1 4,-0.2 -0.255 62.1 -70.7 -59.6 152.9 38.1 53.5 63.6 64 64 A F T 3 S+ 0 0 47 190,-2.9 57,-0.2 1,-0.2 -1,-0.1 -0.051 119.4 22.2 -46.8 146.2 36.8 49.9 64.2 65 65 A Y T 3> S+ 0 0 32 -3,-0.1 4,-1.9 55,-0.1 -1,-0.2 0.267 87.4 112.8 74.4 -4.6 33.0 49.4 64.4 66 66 A M H <> S+ 0 0 6 -3,-1.7 4,-2.0 2,-0.2 5,-0.2 0.975 75.4 50.2 -60.2 -44.6 32.3 52.6 62.4 67 67 A K H > S+ 0 0 84 -4,-0.2 4,-2.4 2,-0.2 5,-0.2 0.934 112.1 43.6 -60.0 -47.7 30.9 50.6 59.3 68 68 A E H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.899 114.4 51.5 -66.8 -38.5 28.4 48.3 61.2 69 69 A A H X S+ 0 0 4 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.875 107.4 52.8 -66.4 -33.7 27.3 51.3 63.2 70 70 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.924 107.2 52.3 -66.0 -41.1 26.7 53.3 59.9 71 71 A Q H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.872 107.1 53.1 -63.0 -35.5 24.5 50.5 58.6 72 72 A L H X S+ 0 0 20 -4,-1.6 4,-2.3 2,-0.2 5,-0.3 0.917 107.6 50.4 -63.3 -43.4 22.6 50.7 61.9 73 73 A I H X S+ 0 0 0 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.945 111.1 50.5 -60.7 -43.1 22.0 54.5 61.4 74 74 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.971 112.5 43.3 -59.6 -59.4 20.8 53.8 57.8 75 75 A R H X S+ 0 0 49 -4,-2.4 4,-1.6 1,-0.2 84,-0.9 0.840 121.4 41.1 -57.4 -37.1 18.2 51.0 58.8 76 76 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 82,-0.2 -1,-0.2 0.893 114.6 50.2 -79.8 -42.4 16.9 53.0 61.8 77 77 A A H <>S+ 0 0 0 -4,-3.4 5,-2.2 -5,-0.3 -2,-0.2 0.944 112.5 49.6 -59.2 -42.7 16.9 56.4 60.0 78 78 A A H ><5S+ 0 0 0 -4,-2.8 3,-2.3 -5,-0.3 4,-0.3 0.962 110.7 47.2 -60.3 -58.0 15.0 54.8 57.1 79 79 A A H 3<5S+ 0 0 5 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.2 60.2 -54.0 -33.8 12.3 53.1 59.3 80 80 A N T 3<5S- 0 0 17 -4,-2.0 -1,-0.3 77,-0.2 -2,-0.2 0.397 120.6-105.2 -76.8 4.4 11.9 56.4 61.2 81 81 A G T < 5 + 0 0 12 -3,-2.3 2,-0.5 1,-0.3 -3,-0.2 0.706 62.8 156.8 82.2 13.5 10.8 58.4 58.0 82 82 A I < - 0 0 2 -5,-2.2 -1,-0.3 -4,-0.3 -30,-0.2 -0.725 33.8-150.3 -71.0 123.4 14.2 60.3 57.4 83 83 A G + 0 0 4 -32,-2.4 101,-2.9 -2,-0.5 2,-0.3 0.900 64.7 8.2 -64.1 -40.6 14.0 61.0 53.7 84 84 A R E -df 55 184D 70 -30,-1.5 -28,-1.9 -33,-0.3 2,-0.4 -0.992 49.5-160.2-148.1 150.9 17.7 61.1 52.9 85 85 A L E -df 56 185D 0 99,-1.7 101,-3.2 -2,-0.3 2,-0.6 -0.988 10.0-157.0-129.1 129.3 21.2 60.3 54.2 86 86 A V E -df 57 186D 5 -30,-2.5 -28,-2.3 -2,-0.4 2,-0.4 -0.968 23.3-180.0-106.5 116.0 24.4 61.8 52.7 87 87 A I E -df 58 187D 0 99,-2.1 101,-2.5 -2,-0.6 -28,-0.2 -0.963 28.0-119.1-118.8 136.7 27.2 59.5 53.6 88 88 A G E > - f 0 188D 0 -30,-1.3 3,-2.4 -2,-0.4 101,-0.2 -0.445 50.3 -81.8 -71.1 151.9 30.9 59.8 52.7 89 89 A Q E > S+ 0 0 47 99,-2.1 3,-1.4 1,-0.3 78,-0.2 -0.276 116.3 5.6 -54.2 135.9 32.4 57.0 50.6 90 90 A N E 3 S- 0 0 76 76,-2.7 -1,-0.3 1,-0.3 77,-0.1 0.513 129.3 -73.0 62.8 10.0 33.4 53.9 52.7 91 91 A G E < S+ 0 0 0 -3,-2.4 -31,-2.5 75,-0.4 -3,-0.3 0.097 96.4 144.3 90.9 -12.3 31.8 55.8 55.7 92 92 A I E < +d 60 0D 20 -3,-1.4 2,-0.3 -33,-0.2 -1,-0.3 -0.410 7.2 140.6 -73.8 118.8 34.8 58.2 55.7 93 93 A L - 0 0 1 -33,-2.0 -31,-0.1 -2,-0.3 134,-0.1 -0.899 42.3-133.0-152.7 115.6 34.2 61.8 56.5 94 94 A S > - 0 0 3 96,-0.3 4,-2.7 -2,-0.3 5,-0.2 -0.288 30.9-110.7 -64.5 161.1 36.4 64.1 58.7 95 95 A T H > S+ 0 0 1 194,-2.4 4,-2.2 1,-0.2 195,-0.1 0.937 122.7 48.9 -63.4 -36.9 34.7 66.2 61.5 96 96 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.910 110.3 52.0 -65.2 -41.4 35.5 69.4 59.4 97 97 A A H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.958 110.0 47.7 -61.0 -47.3 34.1 67.7 56.3 98 98 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.912 111.8 50.1 -59.6 -40.0 30.8 66.8 58.1 99 99 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.980 113.0 48.3 -59.8 -46.2 30.5 70.3 59.4 100 100 A C H X S+ 0 0 9 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.929 111.9 46.2 -57.4 -55.0 31.0 71.6 55.8 101 101 A I H X S+ 0 0 8 -4,-3.1 4,-2.7 1,-0.2 6,-0.2 0.887 110.9 53.8 -65.4 -39.0 28.5 69.3 54.1 102 102 A I H X>S+ 0 0 0 -4,-2.5 5,-1.8 -5,-0.2 4,-0.8 0.953 115.6 39.4 -55.9 -50.6 25.8 70.1 56.8 103 103 A R H <5S+ 0 0 73 -4,-2.3 3,-0.3 -5,-0.2 -2,-0.2 0.918 116.4 52.5 -65.7 -41.3 26.1 73.8 56.2 104 104 A K H <5S+ 0 0 106 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.927 120.1 29.1 -63.9 -50.0 26.5 73.4 52.5 105 105 A I H <5S- 0 0 59 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.432 106.8-117.6 -96.4 10.8 23.4 71.3 51.7 106 106 A K T <5 - 0 0 165 -4,-0.8 -51,-0.2 -3,-0.3 -3,-0.2 0.950 48.0-179.8 53.6 51.4 21.4 72.7 54.6 107 107 A A < - 0 0 3 -5,-1.8 -51,-0.2 -6,-0.2 28,-0.1 -0.360 41.0-116.6 -74.6 160.6 21.1 69.3 56.3 108 108 A I S S- 0 0 46 -53,-2.3 25,-0.9 1,-0.2 2,-0.3 0.864 79.0 -67.9 -72.4 -19.3 19.1 68.9 59.6 109 109 A G E -eG 56 132D 0 -54,-0.9 -52,-1.5 23,-0.2 2,-0.3 -0.971 53.8-101.1 159.8-167.2 22.4 67.9 61.2 110 110 A G E -eG 57 131D 0 21,-1.8 21,-2.6 -2,-0.3 2,-0.6 -0.998 8.9-135.8-148.8 151.7 24.9 65.0 61.1 111 111 A I E -eG 58 130D 0 -54,-2.5 -52,-1.8 -2,-0.3 2,-0.4 -0.917 26.3-165.3-104.5 113.1 25.9 61.9 63.2 112 112 A I E -eG 59 129D 1 17,-2.8 17,-2.8 -2,-0.6 2,-0.9 -0.843 9.2-151.8-102.8 135.0 29.8 61.7 63.4 113 113 A L E +e 60 0D 0 -54,-2.1 -52,-2.0 -2,-0.4 2,-0.3 -0.842 50.9 107.2-110.7 101.0 31.4 58.5 64.5 114 114 A T - 0 0 1 -2,-0.9 15,-0.1 13,-0.5 12,-0.1 -0.978 53.8-155.6-164.0 155.3 34.6 59.3 66.2 115 115 A A > - 0 0 0 1,-0.4 3,-2.0 3,-0.3 173,-0.1 -0.326 48.0-135.1-127.8 38.3 36.0 59.4 69.7 116 116 A X T 3 S- 0 0 31 1,-0.3 -1,-0.4 171,-0.1 174,-0.1 -0.029 76.2 -5.0 40.8-125.7 38.6 62.0 68.5 117 117 A H T 3 S+ 0 0 56 170,-0.1 -1,-0.3 171,-0.1 3,-0.1 0.578 107.9 110.0 -68.0 -14.7 42.2 61.3 69.7 118 118 A N S < S- 0 0 30 -3,-2.0 -3,-0.3 142,-0.1 6,-0.1 -0.600 80.9-104.4 -65.9 120.0 40.8 58.4 71.8 119 119 A P - 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0 0 2 -8,-2.1 -8,-0.5 -2,-0.3 106,-0.0 -0.953 24.1-129.7-107.3 119.6 55.3 76.5 67.3 304 304 A N >> - 0 0 22 -2,-0.7 4,-2.5 1,-0.1 3,-1.2 -0.564 11.9-123.1 -69.5 136.1 53.1 76.6 70.3 305 305 A P H 3> S+ 0 0 9 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.829 115.4 52.6 -49.0 -32.8 49.3 76.5 69.6 306 306 A S H 3> S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 34,-0.2 0.854 111.9 43.8 -73.8 -33.9 49.0 79.8 71.5 307 307 A D H <> S+ 0 0 7 -3,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.909 109.1 58.7 -73.2 -39.2 51.7 81.4 69.3 308 308 A S H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.868 103.1 50.5 -59.7 -45.5 50.2 79.9 66.1 309 309 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.892 113.5 49.6 -60.2 -40.2 46.8 81.6 66.5 310 310 A A H X S+ 0 0 0 -4,-1.0 4,-3.0 2,-0.2 -2,-0.2 0.939 109.6 47.5 -66.3 -44.6 48.7 84.8 67.0 311 311 A V H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.960 113.5 47.1 -63.0 -47.2 50.9 84.5 63.9 312 312 A I H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 6,-0.2 0.914 114.9 51.0 -61.3 -37.5 47.9 83.6 61.6 313 313 A A H >< S+ 0 0 4 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.870 109.0 47.3 -67.5 -43.4 46.1 86.6 63.3 314 314 A A H 3< S+ 0 0 37 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.753 124.1 34.1 -71.7 -21.1 48.9 89.1 62.7 315 315 A N T >< S+ 0 0 25 -4,-1.6 3,-1.9 -5,-0.2 -2,-0.2 0.242 80.6 127.1-119.5 26.5 49.2 87.9 59.0 316 316 A I G X + 0 0 3 -3,-0.8 3,-1.2 1,-0.3 6,-0.4 0.669 61.8 62.6 -61.4 -22.6 45.5 87.2 58.3 317 317 A F G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.512 83.6 79.5 -84.1 -0.2 45.0 89.3 55.1 318 318 A S G < S+ 0 0 36 -3,-1.9 -1,-0.3 -6,-0.2 -2,-0.2 0.575 84.1 77.6 -70.6 -20.6 47.6 87.0 53.4 319 319 A I S X> S- 0 0 0 -3,-1.2 4,-2.0 -4,-0.2 3,-1.1 -0.880 82.7-139.7 -96.0 116.6 44.5 84.6 53.1 320 320 A P H 3> S+ 0 0 24 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.871 98.2 62.8 -41.0 -51.5 41.9 85.5 50.3 321 321 A Y H 3> S+ 0 0 45 -120,-2.4 4,-1.9 1,-0.2 5,-0.3 0.881 110.9 35.8 -45.2 -48.9 38.9 84.7 52.5 322 322 A F H <> S+ 0 0 1 -3,-1.1 4,-2.5 -6,-0.4 -1,-0.2 0.837 112.0 62.9 -77.5 -28.2 39.7 87.5 55.1 323 323 A Q H < S+ 0 0 125 -4,-2.0 -2,-0.2 -7,-0.2 -1,-0.2 0.910 117.0 27.7 -64.2 -36.8 40.9 89.7 52.4 324 324 A Q H < S+ 0 0 148 -4,-2.4 -2,-0.2 2,-0.1 -1,-0.2 0.793 130.8 37.8 -96.9 -27.7 37.4 89.7 50.8 325 325 A T H < S- 0 0 59 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.730 95.6-137.8 -94.5 -29.9 35.3 89.1 54.0 326 326 A G < - 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0 0 73 -2,-0.2 4,-2.4 1,-0.2 3,-0.4 -0.740 30.9-173.6-103.4 95.5 17.7 45.4 38.6 766 204 B F H > S+ 0 0 14 -2,-0.9 4,-2.4 -5,-0.4 -1,-0.2 0.773 81.0 59.4 -66.3 -16.4 21.1 45.4 40.3 767 205 B N H > S+ 0 0 127 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.960 109.1 44.5 -75.9 -43.1 20.1 43.0 43.1 768 206 B A H > S+ 0 0 36 -3,-0.4 4,-3.1 1,-0.2 -2,-0.2 0.938 113.9 50.2 -64.7 -40.4 19.3 40.4 40.4 769 207 B L H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.895 108.1 52.9 -65.7 -31.4 22.5 41.2 38.5 770 208 B K H X S+ 0 0 75 -4,-2.4 4,-2.2 2,-0.2 5,-0.5 0.868 111.4 47.6 -66.5 -37.2 24.6 40.9 41.9 771 209 B E H X S+ 0 0 130 -4,-1.8 4,-1.5 2,-0.2 3,-0.2 0.986 111.5 50.6 -64.5 -56.4 23.0 37.4 42.3 772 210 B L H < S+ 0 0 26 -4,-3.1 7,-2.6 1,-0.2 -2,-0.2 0.904 122.8 29.2 -53.3 -40.3 23.8 36.6 38.7 773 211 B L H < S+ 0 0 1 -4,-2.7 -1,-0.2 5,-0.2 -2,-0.2 0.717 125.6 32.5-100.8 -19.5 27.5 37.6 39.0 774 212 B S H < S+ 0 0 49 -4,-2.2 -3,-0.2 -3,-0.2 4,-0.1 0.654 89.0 104.7-114.5 -9.6 28.8 37.1 42.5 775 213 B G S >< S- 0 0 16 -4,-1.5 3,-0.8 -5,-0.5 -4,-0.0 0.369 84.4 -95.8 -59.4-173.2 26.9 34.2 43.9 776 214 B P T 3 S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.973 128.7 36.3 -65.7 -48.2 28.2 30.6 44.6 777 215 B N T 3 S+ 0 0 143 -6,-0.0 -2,-0.1 2,-0.0 -3,-0.1 -0.374 95.7 162.6-102.6 47.8 26.8 29.5 41.3 778 216 B R < - 0 0 80 -3,-0.8 2,-0.3 -2,-0.6 -5,-0.2 -0.188 44.0-105.9 -72.8 163.4 27.6 32.7 39.4 779 217 B L - 0 0 28 -7,-2.6 2,-0.7 63,-0.0 -1,-0.1 -0.707 33.1-132.5 -85.1 132.8 27.8 33.3 35.7 780 218 B K - 0 0 52 -2,-0.3 63,-2.0 61,-0.1 64,-1.5 -0.838 31.1-178.5 -95.2 121.7 31.3 33.6 34.5 781 219 B I E -g 844 0M 3 -2,-0.7 2,-0.4 61,-0.2 64,-0.2 -0.676 22.6-162.4-117.6 155.2 31.9 36.7 32.2 782 220 B R E -g 845 0M 56 62,-1.3 64,-1.6 -2,-0.2 2,-0.5 -0.942 13.3-172.2-137.6 114.4 34.8 38.2 30.3 783 221 B I E -gh 846 809M 1 25,-2.8 27,-3.1 -2,-0.4 2,-0.7 -0.954 5.6-162.7-115.5 114.0 34.4 41.9 29.2 784 222 B D E -gh 847 810M 3 62,-3.0 64,-1.2 -2,-0.5 27,-0.2 -0.846 11.0-178.0 -97.7 113.4 37.0 43.3 26.9 785 223 B A > - 0 0 0 25,-3.0 3,-2.3 -2,-0.7 5,-0.3 0.379 36.8-131.8 -94.7 6.9 37.0 47.2 26.8 786 224 B M T 3 - 0 0 14 24,-0.3 25,-0.1 1,-0.3 26,-0.1 0.748 58.8 -67.8 54.8 34.2 39.8 47.2 24.2 787 225 B H T 3 S+ 0 0 37 24,-2.2 28,-2.3 23,-0.2 31,-0.3 0.711 108.5 121.1 60.2 21.7 41.8 49.8 26.1 788 226 B G S X S- 0 0 0 -3,-2.3 3,-1.6 23,-0.4 -1,-0.2 -0.360 81.6 -71.2-103.0-166.3 39.0 52.4 25.3 789 227 B V T 3 S+ 0 0 0 61,-2.0 4,-0.5 1,-0.3 -133,-0.2 0.713 117.4 68.0 -61.1 -26.2 36.8 54.6 27.4 790 228 B V T 3> S+ 0 0 5 59,-0.3 4,-2.1 -5,-0.3 -1,-0.3 0.668 74.2 91.9 -75.6 -10.1 34.5 51.9 28.8 791 229 B G H <> S+ 0 0 0 -3,-1.6 4,-2.1 -6,-0.3 3,-0.3 0.932 87.4 44.3 -50.1 -52.8 37.2 50.4 30.9 792 230 B P H > S+ 0 0 31 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.866 112.3 54.1 -63.6 -31.9 36.4 52.5 34.1 793 231 B Y H >>S+ 0 0 2 -4,-0.5 4,-1.8 -3,-0.2 5,-0.6 0.844 108.4 49.1 -68.4 -36.3 32.7 51.9 33.6 794 232 B V H X>S+ 0 0 1 -4,-2.1 5,-1.3 -3,-0.3 4,-1.2 0.942 113.6 45.3 -67.7 -50.5 33.2 48.1 33.5 795 233 B K H X>S+ 0 0 84 -4,-2.1 5,-2.8 -5,-0.2 4,-0.8 0.981 119.2 40.1 -58.0 -55.1 35.4 48.1 36.7 796 234 B K H <>S+ 0 0 64 -4,-2.2 5,-2.3 -5,-0.2 -3,-0.2 0.920 127.5 30.2 -66.7 -40.3 33.1 50.4 38.8 797 235 B I H <>S+ 0 0 0 -4,-1.8 5,-2.0 -5,-0.3 -3,-0.2 0.965 129.6 31.1 -84.5 -54.2 29.7 49.0 37.7 798 236 B L H < - 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