==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-NOV-12 4I5V . COMPND 2 MOLECULE: 5',5'''-P-1,P-4-TETRAPHOSPHATE PHOSPHORYLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.L.JIANG,W.T.HOU,Y.CHEN,C.Z.ZHOU . 591 6 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 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 . 38 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 0 2 0 0 2 2 0 0 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 8 2 0 6 5 3 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 . 0 2 0 0 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 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 0 180 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 135.9 8.2 -2.6 9.7 2 2 A I - 0 0 18 1,-0.1 70,-0.2 70,-0.1 4,-0.1 -0.307 360.0 -87.0 -64.0 143.5 10.5 -3.9 12.5 3 3 A E - 0 0 63 68,-1.4 3,-0.3 1,-0.1 2,-0.2 -0.059 42.2-139.0 -54.9 147.2 8.7 -6.0 15.2 4 4 A E S S+ 0 0 125 1,-0.2 -1,-0.1 -3,-0.1 5,-0.1 -0.550 81.3 38.9-103.7 175.1 7.1 -4.2 18.2 5 5 A N S > S+ 0 0 124 -2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.787 78.5 150.4 53.3 29.9 7.1 -5.2 21.8 6 6 A L H > + 0 0 4 -3,-0.3 4,-2.5 1,-0.2 3,-0.3 0.939 57.7 51.6 -61.2 -55.3 10.7 -6.2 21.0 7 7 A K H > S+ 0 0 76 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.867 111.1 48.7 -51.3 -43.7 12.4 -5.7 24.4 8 8 A Q H > S+ 0 0 100 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.909 110.8 53.7 -62.1 -38.9 9.7 -7.8 26.2 9 9 A K H X S+ 0 0 79 -4,-1.8 4,-2.0 -3,-0.3 -2,-0.2 0.906 111.0 43.2 -61.6 -48.6 10.3 -10.4 23.4 10 10 A I H X S+ 0 0 7 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.952 116.6 47.5 -62.2 -50.9 14.0 -10.6 23.9 11 11 A H H X S+ 0 0 56 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.959 113.5 46.4 -56.1 -55.6 13.8 -10.6 27.7 12 12 A D H X S+ 0 0 90 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.898 115.2 48.6 -53.6 -41.3 11.0 -13.3 27.8 13 13 A K H X S+ 0 0 63 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.913 110.7 52.5 -65.0 -42.6 13.1 -15.3 25.4 14 14 A F H X S+ 0 0 12 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.954 107.0 45.9 -62.0 -58.5 16.2 -14.9 27.5 15 15 A V H X S+ 0 0 66 -4,-2.2 4,-3.6 1,-0.3 5,-0.2 0.911 113.9 53.7 -55.4 -40.0 15.1 -16.0 30.9 16 16 A A H X S+ 0 0 35 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.3 0.928 111.0 43.7 -57.8 -48.5 13.5 -19.0 29.1 17 17 A A H <>S+ 0 0 1 -4,-2.3 5,-2.1 2,-0.2 6,-0.9 0.884 116.4 47.2 -68.1 -38.8 16.7 -19.9 27.4 18 18 A K H ><5S+ 0 0 118 -4,-3.1 3,-1.2 2,-0.2 -2,-0.2 0.950 113.1 49.4 -62.7 -50.5 18.7 -19.4 30.6 19 19 A K H 3<5S+ 0 0 177 -4,-3.6 -2,-0.2 -5,-0.3 -1,-0.2 0.880 113.7 47.1 -54.1 -41.1 16.2 -21.4 32.5 20 20 A N T 3<5S- 0 0 99 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.382 110.0-116.7 -92.4 1.5 16.3 -24.2 30.0 21 21 A G T < 5S+ 0 0 63 -3,-1.2 -3,-0.2 -4,-0.5 -4,-0.1 0.674 78.6 123.0 76.7 16.9 20.1 -24.5 29.6 22 22 A H S - 0 0 1 5,-2.9 4,-2.1 -2,-0.5 246,-0.0 -0.648 19.4-158.1 -69.0 115.6 43.5 6.1 32.0 36 36 A P T 4 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 245,-0.0 0.725 89.3 43.5 -70.5 -27.3 45.8 8.5 34.0 37 37 A Q T 4 S+ 0 0 136 3,-0.1 -2,-0.1 1,-0.1 152,-0.0 0.872 129.8 20.2 -81.7 -48.7 47.7 9.5 30.9 38 38 A T T 4 S- 0 0 5 2,-0.1 3,-0.1 0, 0.0 150,-0.1 0.449 92.3-126.6-101.9 -4.8 44.9 9.9 28.3 39 39 A T < + 0 0 78 -4,-2.1 -4,-0.0 1,-0.2 150,-0.0 0.170 57.4 149.2 75.0 -16.4 41.8 10.5 30.5 40 40 A T - 0 0 4 -6,-0.2 -5,-2.9 1,-0.1 2,-0.3 -0.183 45.7-127.5 -54.2 130.3 39.9 7.7 28.7 41 41 A Q E -A 34 0A 53 121,-0.4 2,-0.4 -7,-0.2 123,-0.3 -0.591 24.5-161.9 -75.8 138.4 37.4 5.7 30.8 42 42 A Y E -A 33 0A 1 -9,-3.7 -9,-2.2 -2,-0.3 2,-0.5 -0.940 13.4-158.2-122.3 143.7 37.8 1.9 30.8 43 43 A W E -Ab 32 266A 27 222,-3.6 224,-1.9 -2,-0.4 2,-0.5 -0.944 19.6-161.1-122.5 109.3 35.3 -0.7 31.8 44 44 A V E -Ab 31 267A 1 -13,-2.5 -13,-1.7 -2,-0.5 2,-0.5 -0.787 7.1-167.1-106.8 128.1 37.1 -3.9 32.7 45 45 A T E -Ab 30 268A 13 222,-3.5 224,-4.4 -2,-0.5 2,-0.5 -0.954 7.4-154.6-119.7 122.4 35.5 -7.3 32.7 46 46 A F E +Ab 29 269A 29 -17,-3.4 -17,-1.6 -2,-0.5 224,-0.2 -0.828 23.6 160.2 -96.4 121.2 37.1 -10.3 34.3 47 47 A A > + 0 0 0 222,-3.7 3,-1.0 -2,-0.5 4,-0.2 -0.645 4.8 168.1-142.1 79.2 35.9 -13.6 32.9 48 48 A P G >> S+ 0 0 56 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.731 71.4 75.4 -68.2 -23.5 38.5 -16.4 33.6 49 49 A S G >4 S+ 0 0 52 -22,-0.4 3,-1.6 1,-0.3 4,-0.4 0.905 90.9 61.4 -48.5 -40.2 36.0 -19.1 32.6 50 50 A L G X4 S+ 0 0 31 -3,-1.0 3,-0.8 1,-0.3 -1,-0.3 0.697 83.9 72.4 -63.5 -23.6 36.9 -17.9 29.1 51 51 A A G <4 S+ 0 0 62 -3,-1.6 -1,-0.3 219,-0.4 -2,-0.2 0.791 88.0 66.7 -64.6 -25.0 40.6 -18.8 29.5 52 52 A L G << S+ 0 0 150 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.903 85.9 87.1 -54.6 -44.6 39.3 -22.4 29.2 53 53 A K < 0 0 134 -3,-0.8 -3,-0.0 -4,-0.4 0, 0.0 -0.385 360.0 360.0 -62.9 131.1 38.4 -21.6 25.6 54 54 A P 0 0 170 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.428 360.0 360.0 -90.7 360.0 41.1 -22.1 23.0 55 ! 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 56 66 A D > 0 0 84 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 102.8 28.4 -21.4 10.7 57 67 A P T 3 + 0 0 87 0, 0.0 5,-0.2 0, 0.0 90,-0.0 0.573 360.0 60.0 -66.8 -16.1 26.4 -21.6 14.0 58 68 A F T 3 S+ 0 0 27 1,-0.1 36,-0.0 3,-0.1 40,-0.0 0.384 80.6 90.7 -94.9 0.8 23.8 -19.2 12.5 59 69 A A S < S- 0 0 57 -3,-1.5 -1,-0.1 1,-0.3 39,-0.0 0.995 111.8 -0.2 -56.5 -71.6 23.1 -21.6 9.7 60 70 A N S S- 0 0 143 -4,-0.4 -1,-0.3 -3,-0.0 3,-0.1 -0.697 89.6-157.3-120.5 77.7 20.2 -23.5 11.3 61 71 A P - 0 0 24 0, 0.0 -3,-0.1 0, 0.0 5,-0.1 -0.180 29.6 -96.8 -55.6 141.1 20.0 -21.8 14.8 62 72 A D > - 0 0 80 -5,-0.2 3,-1.5 1,-0.1 4,-0.4 -0.363 34.3-125.2 -56.2 137.9 18.4 -23.8 17.6 63 73 A E G > S+ 0 0 164 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.830 106.7 63.1 -63.1 -30.2 14.8 -22.7 17.8 64 74 A E G 3 S+ 0 0 80 1,-0.3 -1,-0.3 -47,-0.0 -47,-0.1 0.719 101.4 52.1 -66.7 -20.3 15.1 -21.8 21.4 65 75 A L G < S+ 0 0 16 -3,-1.5 16,-2.3 -43,-0.1 2,-0.7 0.478 86.7 102.1 -91.6 -4.1 17.7 -19.1 20.6 66 76 A V E < +C 80 0B 18 -3,-1.3 14,-0.2 -4,-0.4 3,-0.2 -0.734 42.4 178.1 -90.3 115.5 15.5 -17.5 17.9 67 77 A V E S+ 0 0 20 12,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.904 78.2 1.8 -77.5 -47.7 13.8 -14.3 19.1 68 78 A T E -C 79 0B 7 11,-1.2 11,-1.6 1,-0.1 -1,-0.3 -0.980 56.8-150.9-143.9 132.0 12.1 -13.6 15.8 69 79 A E S S+ 0 0 133 -2,-0.3 2,-0.3 9,-0.2 -1,-0.1 0.783 95.0 17.7 -77.2 -26.0 12.3 -15.7 12.6 70 80 A D - 0 0 48 1,-0.1 8,-0.2 -3,-0.1 -1,-0.2 -0.956 65.2-169.7-136.1 158.4 11.9 -12.5 10.6 71 81 A L S S+ 0 0 3 6,-0.5 -68,-1.4 3,-0.4 2,-0.2 0.791 70.4 21.8-116.3 -58.1 12.4 -9.0 11.8 72 82 A N S S- 0 0 24 2,-0.4 -1,-0.2 -70,-0.2 -70,-0.1 -0.508 98.1 -86.1 -99.7-179.2 11.1 -6.6 9.1 73 83 A G S S+ 0 0 66 -2,-0.2 -1,-0.0 -3,-0.1 -71,-0.0 0.935 110.1 76.3 -51.3 -48.6 8.6 -7.3 6.4 74 84 A D S S- 0 0 71 1,-0.1 3,-0.5 -4,-0.0 -3,-0.4 -0.133 95.0-116.6 -62.5 159.6 11.3 -8.6 4.1 75 85 A G S S+ 0 0 54 1,-0.2 -1,-0.1 -5,-0.1 21,-0.1 0.183 85.0 112.9 -80.2 19.6 12.7 -12.1 4.8 76 86 A E + 0 0 53 20,-0.1 20,-3.9 19,-0.1 2,-0.4 0.882 62.8 37.3 -62.7 -50.8 16.0 -10.3 5.5 77 87 A Y E - D 0 95B 1 -3,-0.5 -6,-0.5 18,-0.2 2,-0.3 -0.858 44.2-165.5-125.8 142.2 16.8 -10.7 9.2 78 88 A K E - D 0 94B 20 16,-2.6 16,-1.9 -2,-0.4 2,-0.5 -0.858 20.3-144.6-103.9 149.1 16.8 -13.0 12.1 79 89 A L E -CD 68 93B 1 -11,-1.6 -12,-2.2 -2,-0.3 -11,-1.2 -0.985 25.5-173.2-112.1 121.1 17.3 -11.7 15.6 80 90 A L E -CD 66 92B 5 12,-3.1 12,-3.1 -2,-0.5 2,-0.3 -0.849 26.7-120.6-115.0 147.7 19.2 -14.1 17.8 81 91 A L E - D 0 91B 1 -16,-2.3 10,-0.3 -2,-0.3 2,-0.2 -0.659 39.9-111.1 -71.1 134.4 20.2 -14.4 21.5 82 92 A N - 0 0 24 8,-3.1 7,-0.1 -2,-0.3 8,-0.1 -0.543 23.7-147.2 -63.0 133.0 24.0 -14.6 21.9 83 93 A K S S+ 0 0 89 1,-0.2 -59,-1.8 -2,-0.2 -1,-0.1 0.670 91.1 33.6 -83.0 -18.9 24.6 -18.2 23.1 84 94 A F S S+ 0 0 130 -61,-0.2 -1,-0.2 -59,-0.1 -59,-0.1 -0.488 84.8 172.9-132.3 63.3 27.6 -17.3 25.3 85 95 A P - 0 0 0 0, 0.0 -59,-3.0 0, 0.0 4,-0.1 -0.404 30.2-173.6 -78.5 150.3 26.9 -13.8 26.6 86 96 A V S S+ 0 0 42 1,-0.3 -58,-0.1 -61,-0.2 -61,-0.0 0.782 89.4 47.5 -90.9 -62.2 28.9 -11.8 29.2 87 97 A V S > S- 0 0 34 1,-0.1 3,-1.3 69,-0.1 -1,-0.3 -0.742 106.0-110.0 -74.8 122.4 26.3 -9.1 29.3 88 98 A P T 3 S+ 0 0 71 0, 0.0 68,-0.5 0, 0.0 3,-0.1 -0.105 96.0 17.5 -52.1 144.7 22.8 -10.6 29.6 89 99 A E T 3 S+ 0 0 59 1,-0.2 65,-0.1 -7,-0.1 -75,-0.0 0.476 81.0 166.3 69.9 0.7 20.3 -10.5 26.7 90 100 A H < - 0 0 13 -3,-1.3 -8,-3.1 -9,-0.1 65,-0.2 -0.234 20.7-162.2 -47.8 129.2 23.1 -9.8 24.3 91 101 A S E -DE 81 154B 2 63,-3.2 63,-1.9 -10,-0.3 2,-0.4 -0.656 17.9-133.5-124.7 176.7 21.6 -10.3 20.9 92 102 A L E -DE 80 153B 8 -12,-3.1 -12,-3.1 61,-0.2 2,-0.9 -0.985 2.1-157.2-137.5 124.5 22.5 -10.9 17.2 93 103 A L E +DE 79 152B 4 59,-4.0 59,-2.9 -2,-0.4 2,-0.4 -0.876 31.3 177.0 -99.4 106.9 21.2 -9.4 14.1 94 104 A V E -DE 78 151B 1 -16,-1.9 -16,-2.6 -2,-0.9 57,-0.2 -0.930 33.2-108.1-119.0 133.3 22.0 -12.1 11.4 95 105 A T E -D 77 0B 4 55,-0.9 -18,-0.2 -2,-0.4 4,-0.1 -0.275 24.6-128.1 -53.4 131.2 21.2 -12.2 7.7 96 106 A S S S+ 0 0 32 -20,-3.9 2,-0.3 -21,-0.1 -1,-0.1 0.878 97.4 40.0 -46.3 -44.8 18.5 -14.7 6.8 97 107 A E S S- 0 0 135 -21,-0.3 -2,-0.1 1,-0.1 -38,-0.0 -0.788 110.2 -80.9-109.9 152.8 20.9 -16.1 4.2 98 108 A F + 0 0 107 -2,-0.3 2,-0.3 51,-0.1 -2,-0.1 -0.268 54.6 167.6 -54.8 124.2 24.6 -16.6 4.5 99 109 A K - 0 0 68 -4,-0.1 51,-3.4 51,-0.1 -4,-0.1 -0.993 40.3 -92.6-141.3 138.4 26.5 -13.3 3.9 100 110 A D B > -K 149 0C 50 -2,-0.3 3,-0.7 49,-0.2 49,-0.2 0.005 12.5-139.7 -62.4 148.4 30.2 -12.9 4.7 101 111 A Q T 3 S+ 0 0 7 47,-2.4 39,-0.4 1,-0.2 -1,-0.1 0.614 110.9 53.9 -75.7 -14.6 31.6 -11.6 8.0 102 112 A R T 3 S+ 0 0 147 46,-0.3 -1,-0.2 37,-0.2 2,-0.1 0.455 88.1 108.9 -92.6 -4.6 34.1 -9.7 5.9 103 113 A S S < S- 0 0 32 -3,-0.7 2,-0.2 1,-0.1 3,-0.1 -0.452 75.0-117.1 -71.8 143.1 31.2 -8.2 3.9 104 114 A A - 0 0 49 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.492 39.5 -89.4 -79.1 154.4 30.5 -4.5 4.5 105 115 A L - 0 0 11 -2,-0.2 -1,-0.1 1,-0.1 32,-0.0 -0.410 35.9-127.1 -71.2 132.0 27.2 -3.5 6.0 106 116 A T > - 0 0 46 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.212 27.4-111.4 -62.6 162.8 24.2 -2.8 3.7 107 117 A P H > S+ 0 0 60 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.838 126.5 49.0 -64.1 -29.0 22.5 0.6 4.2 108 118 A S H > S+ 0 0 31 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.771 103.6 61.0 -79.3 -29.0 19.6 -1.6 5.5 109 119 A D H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.998 112.0 36.8 -50.1 -68.5 22.0 -3.4 7.7 110 120 A L H X S+ 0 0 2 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.779 117.8 53.7 -58.7 -29.6 22.9 -0.2 9.5 111 121 A M H X S+ 0 0 26 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.867 106.8 48.5 -79.0 -37.7 19.4 1.0 9.3 112 122 A T H X S+ 0 0 9 -4,-2.9 4,-2.1 -3,-0.3 -2,-0.2 0.899 108.2 57.8 -65.3 -42.4 17.8 -2.1 10.9 113 123 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.951 102.3 52.1 -47.9 -61.1 20.3 -1.9 13.7 114 124 A Y H X S+ 0 0 2 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.865 107.5 53.4 -48.4 -43.1 19.3 1.7 14.7 115 125 A N H X S+ 0 0 57 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.950 106.5 51.3 -60.6 -49.1 15.7 0.6 14.9 116 126 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.922 109.2 52.5 -49.6 -46.5 16.6 -2.3 17.3 117 127 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.5 0.959 109.9 48.5 -52.6 -49.5 18.4 0.3 19.3 118 128 A C H < S+ 0 0 29 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.879 105.0 56.0 -66.7 -38.5 15.3 2.4 19.4 119 129 A S H < S+ 0 0 48 -4,-2.9 -1,-0.3 1,-0.2 -112,-0.2 0.890 112.4 47.4 -49.5 -40.2 13.0 -0.4 20.4 120 130 A L H < S+ 0 0 8 -4,-1.6 2,-0.6 -3,-0.5 -2,-0.2 0.854 114.5 39.9 -82.1 -41.7 15.3 -0.8 23.3 121 131 A Q < - 0 0 25 -4,-2.1 -1,-0.2 -5,-0.1 3,-0.1 -0.929 61.0-167.1-110.2 111.8 15.7 2.7 24.6 122 132 A G - 0 0 73 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.273 33.3-146.8 -76.2 14.2 12.4 4.6 24.5 123 133 A D + 0 0 64 1,-0.2 -1,-0.3 2,-0.1 6,-0.2 -0.397 46.7 154.3 60.7-119.1 14.6 7.7 25.1 124 134 A K S S- 0 0 112 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.2 0.071 78.7 -21.7 75.0 -23.7 12.8 10.3 27.2 125 135 A D > - 0 0 100 1,-0.1 4,-0.8 2,-0.1 3,-0.1 -0.743 34.9-132.8 169.5 161.5 16.3 11.3 28.1 126 136 A D T 4 S+ 0 0 91 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 0.668 121.2 50.0 -80.2 -26.8 20.0 10.7 28.5 127 137 A D T 4 S+ 0 0 69 1,-0.1 -1,-0.1 -3,-0.1 332,-0.1 0.220 107.3 54.1 -96.3 8.5 19.2 12.3 31.9 128 138 A V T 4 S+ 0 0 26 1,-0.2 331,-0.8 -3,-0.1 330,-0.4 0.800 109.8 24.4 -99.5 -57.1 16.3 10.1 32.8 129 139 A T < - 0 0 40 -4,-0.8 -1,-0.2 -6,-0.2 -8,-0.0 -0.675 51.8-147.5-112.7 158.7 17.5 6.4 32.5 130 140 A a + 0 0 10 -2,-0.2 2,-0.1 -3,-0.1 -1,-0.1 0.392 66.3 116.9-100.4 -4.2 20.8 4.6 32.7 131 141 A E + 0 0 55 25,-0.1 2,-0.3 -11,-0.0 -2,-0.1 -0.422 37.8 150.8 -62.9 138.9 19.6 2.1 30.2 132 142 A R - 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0 0 47 -2,-0.4 3,-2.3 -114,-0.1 4,-0.6 -0.710 61.3 -60.8-135.8-171.1 3.9 12.1 51.9 558 278 B S G >4 S+ 0 0 0 1,-0.3 3,-1.7 -116,-0.3 4,-0.3 0.828 127.2 64.7 -46.4 -39.2 7.5 11.1 52.9 559 279 B T G >4>S+ 0 0 17 1,-0.3 5,-2.2 2,-0.2 3,-1.6 0.816 89.1 68.0 -55.8 -34.3 8.6 11.2 49.2 560 280 B G G X45S+ 0 0 0 -3,-2.3 3,-2.0 1,-0.3 -1,-0.3 0.898 93.0 60.3 -49.3 -40.2 7.9 14.9 49.1 561 281 B Y G <<5S+ 0 0 1 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.462 99.9 49.7 -87.4 0.1 10.8 15.5 51.4 562 282 B C G < 5S- 0 0 0 -3,-1.6 -1,-0.3 -4,-0.3 -99,-0.2 0.208 130.9 -95.3 -99.1 5.9 13.6 14.0 49.3 563 283 B G T < 5S+ 0 0 2 -3,-2.0 -221,-2.6 -4,-0.3 2,-1.0 0.458 82.4 137.8 99.6 4.9 12.1 16.2 46.5 564 284 B M E < -o 342 0F 13 -5,-2.2 2,-0.4 -223,-0.2 -1,-0.2 -0.725 33.9-168.8 -91.7 107.4 9.9 13.7 44.9 565 285 B I E -o 343 0F 5 -223,-1.9 -221,-2.9 -2,-1.0 2,-0.6 -0.726 12.1-156.1-100.7 136.4 6.6 15.4 44.1 566 286 B L E -o 344 0F 51 -2,-0.4 2,-0.4 -11,-0.3 -11,-0.4 -0.947 14.1-173.7-112.9 117.8 3.4 13.7 43.0 567 287 B V E +o 345 0F 2 -223,-3.4 -221,-2.8 -2,-0.6 -218,-0.1 -0.940 21.6 179.9-117.4 135.1 0.9 15.8 41.0 568 288 B K + 0 0 44 -2,-0.4 2,-0.5 -223,-0.2 -218,-0.2 0.380 66.1 78.6-100.5 -3.0 -2.6 14.9 39.9 569 289 B D > - 0 0 57 1,-0.1 4,-2.1 -220,-0.1 5,-0.2 -0.944 61.2-154.5-126.0 120.6 -3.4 18.2 38.2 570 290 B R H > S+ 0 0 139 -2,-0.5 4,-1.2 1,-0.2 -1,-0.1 0.835 98.7 48.7 -59.0 -39.2 -2.3 19.4 34.7 571 291 B E H >> S+ 0 0 115 2,-0.2 4,-1.7 1,-0.2 3,-1.0 0.979 109.5 49.4 -63.7 -57.5 -2.7 23.1 35.7 572 292 B K H 3> S+ 0 0 65 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.846 106.7 58.9 -52.2 -36.5 -0.7 22.9 39.0 573 293 B L H 3X S+ 0 0 23 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.880 102.6 51.4 -60.3 -40.6 2.0 21.0 37.1 574 294 B E H < + 0 0 60 -4,-2.7 3,-2.2 1,-0.1 4,-0.3 -0.774 68.8 179.7-127.4 82.3 8.3 28.5 39.6 580 300 B P T >> S+ 0 0 15 0, 0.0 3,-1.8 0, 0.0 4,-0.6 0.758 77.9 73.8 -58.1 -23.5 9.8 25.2 40.9 581 301 B H H >> S+ 0 0 16 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.811 77.5 74.7 -57.3 -33.5 10.5 27.1 44.1 582 302 B L H <> S+ 0 0 33 -3,-2.2 4,-2.2 1,-0.3 -1,-0.3 0.736 89.5 60.5 -53.2 -25.0 6.8 27.0 44.9 583 303 B V H <> S+ 0 0 0 -3,-1.8 4,-2.2 -4,-0.3 -1,-0.3 0.955 100.1 54.0 -65.3 -49.6 7.5 23.3 45.7 584 304 B D H X S+ 0 0 95 -4,-1.6 4,-2.5 1,-0.2 3,-0.9 0.928 108.0 58.1 -64.1 -41.8 7.3 26.6 50.1 586 306 B S H 3X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.874 101.9 57.5 -52.5 -38.6 4.6 23.9 49.7 587 307 B L H 3X S+ 0 0 4 -4,-2.2 4,-0.9 1,-0.2 -1,-0.3 0.820 107.3 45.9 -62.9 -33.6 7.0 21.7 51.8 588 308 B L H << S+ 0 0 65 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.859 103.7 64.1 -74.4 -36.4 6.9 24.3 54.6 589 309 B Q H < S+ 0 0 51 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.828 116.2 29.5 -57.3 -35.1 3.2 24.5 54.3 590 310 B C H < S+ 0 0 0 -4,-1.4 -46,-3.2 -5,-0.2 -45,-1.1 0.590 129.1 45.6 -93.2 -15.8 3.0 20.8 55.3 591 311 B G S < S- 0 0 3 -4,-0.9 -3,-0.1 -48,-0.3 -48,-0.1 0.136 89.5 -91.9-103.6-146.1 6.2 21.1 57.4 592 312 B F - 0 0 43 -50,-0.3 -101,-1.9 -101,-0.2 -2,-0.1 -0.965 49.0 -76.1-136.0 155.7 7.6 23.4 60.0 593 313 B P B -Y 490 0I 87 0, 0.0 -103,-0.2 0, 0.0 -104,-0.1 -0.227 54.6-118.5 -48.6 131.6 9.9 26.5 59.8 594 314 B N - 0 0 31 -105,-2.6 2,-0.4 -104,-0.1 -103,-0.2 -0.304 24.7-147.3 -69.0 159.5 13.5 25.3 59.3 595 315 B T 0 0 82 -105,-0.1 -103,-0.1 -103,-0.1 -1,-0.0 -0.974 360.0 360.0-137.7 120.6 16.0 26.1 62.0 596 316 B A 0 0 127 -2,-0.4 -110,-0.0 -110,-0.1 -1,-0.0 0.124 360.0 360.0-144.8 360.0 19.7 26.8 61.4