==== 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 TRANSFERASE 27-FEB-09 3GGC . COMPND 2 MOLECULE: HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.W.GUDDAT,D.T.KEOUGH,J.JERSEY . 425 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 8.5 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 55 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 2 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 PARALLEL BRIDGES PER LADDER . 7 2 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 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 4 A S 0 0 121 0, 0.0 173,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 131.6 23.4 45.8 26.9 2 5 A P - 0 0 46 0, 0.0 175,-0.2 0, 0.0 158,-0.1 0.131 360.0-119.2 -94.2 19.4 23.8 46.9 23.3 3 6 A G - 0 0 5 173,-0.1 2,-0.8 2,-0.1 173,-0.2 -0.281 67.8 -14.0 76.8-164.9 20.9 44.7 22.0 4 7 A V E S-a 176 0A 5 171,-1.8 173,-1.4 170,-0.2 2,-0.6 -0.637 74.8-144.8 -74.4 108.2 21.4 42.0 19.4 5 8 A V E -a 177 0A 70 -2,-0.8 2,-0.6 171,-0.2 173,-0.2 -0.663 10.3-161.4 -80.9 119.7 24.8 42.7 17.9 6 9 A I - 0 0 21 171,-3.2 6,-0.1 -2,-0.6 27,-0.0 -0.921 27.4-127.0 -99.6 119.3 25.1 41.9 14.2 7 10 A S - 0 0 61 -2,-0.6 -1,-0.0 3,-0.3 171,-0.0 -0.166 14.6-137.0 -73.2 154.6 28.8 41.6 13.5 8 11 A D S S+ 0 0 106 170,-0.1 -1,-0.1 2,-0.0 170,-0.0 0.715 99.4 73.9 -65.8 -24.7 31.0 43.3 10.9 9 12 A D S S+ 0 0 136 1,-0.3 -3,-0.0 2,-0.1 -1,-0.0 0.916 113.8 3.7 -57.4-101.7 32.4 39.8 10.5 10 13 A E S S- 0 0 72 1,-0.2 -1,-0.3 2,-0.0 -3,-0.3 -0.824 87.1-148.0 -87.9 103.3 29.9 37.6 8.6 11 14 A P - 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -4,-0.2 0.862 39.0 -68.5 -38.9 -97.3 27.2 40.3 7.9 12 15 A G S S- 0 0 20 1,-0.1 2,-0.3 -6,-0.1 20,-0.2 0.242 76.0 -25.2-131.7-106.5 23.7 38.8 7.8 13 16 A Y B -F 31 0B 35 18,-2.8 18,-2.2 206,-0.0 2,-0.2 -0.952 51.1-107.4-132.6 145.8 21.9 36.4 5.4 14 17 A D > - 0 0 75 -2,-0.3 3,-2.1 16,-0.2 4,-0.4 -0.487 35.5-125.8 -66.8 132.7 22.0 35.2 1.8 15 18 A L G > S+ 0 0 30 14,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.805 104.9 56.3 -52.6 -40.1 19.1 36.7 -0.1 16 19 A D G 3 S+ 0 0 97 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.555 92.1 73.0 -75.0 -6.3 17.7 33.3 -1.4 17 20 A L G < S+ 0 0 36 -3,-2.1 -1,-0.2 201,-0.1 2,-0.2 0.739 101.2 43.0 -79.7 -20.7 17.4 32.0 2.1 18 21 A F S < S- 0 0 0 -3,-1.2 2,-0.9 -4,-0.4 238,-0.1 -0.765 94.2 -93.3-123.6 168.9 14.4 34.2 2.9 19 22 A C + 0 0 22 236,-0.3 -3,-0.1 -2,-0.2 240,-0.1 -0.697 50.0 165.2 -86.1 106.5 11.2 35.3 1.2 20 23 A I - 0 0 22 -2,-0.9 5,-0.1 -5,-0.1 177,-0.1 -0.950 42.6 -96.2-122.8 145.4 11.7 38.6 -0.7 21 24 A P > - 0 0 37 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.251 30.7-125.0 -57.5 138.5 9.5 40.2 -3.3 22 25 A N G > S+ 0 0 136 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.789 106.0 65.2 -56.1 -32.2 10.5 39.6 -6.9 23 26 A H G 3 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.571 104.3 46.2 -71.8 -6.4 10.7 43.3 -7.7 24 27 A Y G X S+ 0 0 7 -3,-2.1 3,-1.5 1,-0.1 4,-0.4 0.332 74.0 110.6-113.2 3.9 13.6 43.7 -5.2 25 28 A A T < S+ 0 0 58 -3,-1.3 3,-0.2 -4,-0.3 -2,-0.1 0.813 91.6 35.2 -41.6 -31.9 15.6 40.7 -6.4 26 29 A E T 3 S+ 0 0 129 -4,-0.2 180,-0.3 1,-0.1 -1,-0.3 0.527 104.6 69.4-104.1 -11.6 18.1 43.2 -7.7 27 30 A D S < S+ 0 0 0 -3,-1.5 177,-2.2 179,-0.1 2,-0.3 0.239 89.9 62.2-104.3 14.1 18.0 46.1 -5.2 28 31 A L E - G 0 203B 13 -4,-0.4 175,-0.2 175,-0.3 3,-0.1 -0.874 48.3-163.7-136.7 163.0 19.6 44.5 -2.2 29 32 A E E S- 0 0 107 173,-2.7 -14,-0.4 1,-0.4 2,-0.3 0.722 74.0 -6.0-107.3 -68.3 22.9 43.0 -0.9 30 33 A R E - 0 0 81 172,-0.2 172,-1.8 -16,-0.1 2,-0.7 -0.892 59.2-119.1-127.8 158.1 22.1 41.1 2.3 31 34 A V E +FG 13 201B 2 -18,-2.2 -18,-2.8 -2,-0.3 170,-0.3 -0.894 29.7 177.0 -87.8 118.7 19.3 40.4 4.6 32 35 A F E S+ 0 0 3 168,-2.5 169,-0.2 -2,-0.7 -1,-0.2 0.915 71.4 12.6 -83.0 -52.0 20.4 41.7 8.0 33 36 A I E S- G 0 200B 0 167,-2.0 167,-2.5 -20,-0.1 -1,-0.2 -0.885 72.0-141.9-136.6 103.2 17.2 41.1 10.0 34 37 A P >> - 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-1.3 -0.272 33.2-108.2 -56.9 147.5 14.3 38.9 8.8 35 38 A H H 3> S+ 0 0 40 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.844 116.8 51.3 -46.3 -49.7 10.9 40.2 9.8 36 39 A G H 3> S+ 0 0 5 215,-0.5 4,-2.5 1,-0.3 215,-0.5 0.774 106.1 55.1 -64.8 -28.2 10.1 37.6 12.4 37 40 A L H <> S+ 0 0 4 -3,-1.3 4,-2.3 214,-0.4 -1,-0.3 0.866 107.6 50.7 -70.4 -36.7 13.4 38.2 14.1 38 41 A I H X S+ 0 0 0 -4,-1.6 4,-3.1 -3,-0.3 -2,-0.2 0.948 111.0 48.9 -64.0 -47.4 12.4 41.8 14.4 39 42 A M H X S+ 0 0 21 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.932 111.2 48.8 -57.2 -49.3 9.1 40.8 15.9 40 43 A D H X S+ 0 0 12 -4,-2.5 4,-1.3 2,-0.2 194,-0.4 0.901 114.4 45.1 -62.3 -43.0 10.7 38.4 18.4 41 44 A R H >X S+ 0 0 8 -4,-2.3 4,-2.6 1,-0.2 3,-0.7 0.957 112.2 52.3 -63.2 -48.8 13.3 41.1 19.5 42 45 A T H 3X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.3 -2,-0.2 0.869 103.3 58.1 -56.5 -38.9 10.6 43.7 19.7 43 46 A E H 3X S+ 0 0 77 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.3 0.894 109.5 45.6 -57.6 -38.2 8.5 41.4 21.9 44 47 A R H XX S+ 0 0 47 -4,-1.3 4,-2.4 -3,-0.7 3,-0.7 0.940 108.3 54.5 -71.7 -47.7 11.4 41.4 24.3 45 48 A L H 3X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.3 -2,-0.2 0.899 105.3 55.1 -50.1 -44.2 11.9 45.1 24.2 46 49 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.3 0.862 108.1 49.2 -58.4 -35.2 8.3 45.6 25.1 47 50 A R H X S+ 0 0 3 -4,-2.6 4,-2.0 -5,-0.2 3,-0.6 0.921 107.0 47.3 -61.6 -46.8 9.9 48.6 28.8 50 53 A M H 3X S+ 0 0 30 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.868 103.9 62.5 -66.3 -34.8 7.3 47.4 31.2 51 54 A K H 3< S+ 0 0 158 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.842 117.5 28.5 -58.0 -31.9 9.9 46.4 33.7 52 55 A E H << S+ 0 0 113 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.678 136.7 22.5-104.8 -19.9 11.1 49.9 34.0 53 56 A M H < S+ 0 0 5 -4,-2.0 3,-0.5 -5,-0.1 -3,-0.2 0.476 89.3 124.5-127.1 -7.8 8.1 52.1 33.3 54 57 A G < + 0 0 24 -4,-2.2 2,-2.1 -5,-0.4 3,-0.1 0.042 66.5 25.8 -57.6 163.6 5.1 49.8 34.0 55 58 A G S S+ 0 0 55 1,-0.2 -1,-0.2 2,-0.1 -5,-0.0 -0.270 104.7 91.0 77.9 -52.6 2.3 50.6 36.4 56 59 A H S S- 0 0 101 -2,-2.1 -1,-0.2 -3,-0.5 -3,-0.1 -0.228 94.1-104.1 -65.7 163.5 2.9 54.3 35.9 57 60 A H - 0 0 44 -3,-0.1 35,-0.2 34,-0.1 -2,-0.1 0.961 47.3-170.5 -56.8 -62.5 1.0 56.1 33.1 58 61 A I - 0 0 16 33,-0.1 34,-1.7 1,-0.1 2,-0.6 0.715 19.7-133.7 65.5 126.1 3.7 56.4 30.4 59 62 A V E -bc 92 125A 4 65,-3.4 67,-2.1 32,-0.2 2,-0.9 -0.942 15.2-145.6-106.8 111.5 3.2 58.5 27.2 60 63 A A E -bc 93 126A 2 32,-3.0 34,-3.3 -2,-0.6 2,-0.7 -0.703 18.3-168.3 -79.6 108.5 4.4 56.6 24.2 61 64 A L E -bc 94 127A 7 65,-3.5 67,-3.0 -2,-0.9 2,-0.6 -0.882 4.9-156.2-104.9 111.9 5.9 59.2 21.9 62 65 A C E -bc 95 128A 3 32,-2.7 34,-2.9 -2,-0.7 2,-1.1 -0.755 14.0-138.0 -89.6 122.0 6.6 58.1 18.4 63 66 A V E -b 96 0A 3 65,-2.7 2,-0.9 -2,-0.6 67,-0.3 -0.684 28.4-157.4 -74.6 102.9 9.3 60.0 16.4 64 67 A L E +b 97 0A 35 32,-2.0 34,-2.3 -2,-1.1 49,-0.1 -0.746 34.8 143.4 -95.4 100.1 7.4 60.1 13.1 65 68 A K S S- 0 0 68 -2,-0.9 -1,-0.2 2,-0.6 3,-0.1 0.743 84.3 -27.6 -90.9 -90.8 9.6 60.5 10.0 66 69 A G S S- 0 0 42 1,-0.2 2,-0.3 121,-0.2 -2,-0.1 0.668 125.3 -2.1-102.8 -21.9 8.3 58.5 7.1 67 70 A G - 0 0 22 120,-0.1 -2,-0.6 122,-0.1 -1,-0.2 -0.944 44.9-145.3-156.6 175.8 6.5 55.6 8.9 68 71 A Y > + 0 0 130 -2,-0.3 4,-3.2 -4,-0.1 5,-0.2 0.097 52.8 127.3-138.2 23.9 5.6 54.1 12.3 69 72 A K H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.938 80.4 46.5 -44.7 -58.4 5.6 50.4 11.6 70 73 A F H > S+ 0 0 4 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.933 112.0 50.4 -53.1 -51.9 8.1 49.7 14.4 71 74 A F H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.938 110.0 51.9 -49.0 -52.4 6.1 52.0 16.8 72 75 A A H X S+ 0 0 27 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.905 113.2 43.4 -51.9 -48.6 2.9 50.1 15.8 73 76 A D H X S+ 0 0 18 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.915 110.9 53.0 -69.9 -43.2 4.5 46.7 16.6 74 77 A L H X S+ 0 0 1 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.921 111.2 49.1 -57.0 -41.5 6.2 47.7 19.8 75 78 A L H X S+ 0 0 12 -4,-2.6 4,-3.0 -5,-0.3 -1,-0.2 0.844 105.4 55.3 -74.0 -30.5 2.8 49.0 21.0 76 79 A D H X S+ 0 0 90 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.956 110.7 46.2 -61.8 -47.7 0.9 45.8 20.1 77 80 A Y H X S+ 0 0 52 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.879 113.5 49.7 -60.5 -37.8 3.4 43.8 22.2 78 81 A I H X S+ 0 0 13 -4,-2.0 4,-1.9 -5,-0.2 3,-0.3 0.938 111.8 47.1 -68.2 -44.2 3.1 46.3 25.0 79 82 A K H X S+ 0 0 104 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.881 108.1 57.7 -61.3 -37.0 -0.7 46.2 24.9 80 83 A A H < S+ 0 0 43 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.852 108.9 44.9 -61.4 -36.4 -0.4 42.4 24.8 81 84 A L H >< S+ 0 0 61 -4,-1.5 3,-1.3 -3,-0.3 4,-0.3 0.817 108.3 57.2 -73.8 -35.1 1.5 42.5 28.1 82 85 A N H >< S+ 0 0 33 -4,-1.9 3,-0.8 1,-0.3 7,-0.2 0.676 85.2 81.0 -74.8 -17.9 -1.0 45.0 29.6 83 86 A R T 3< S+ 0 0 187 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.699 93.2 51.1 -54.4 -20.9 -3.8 42.6 29.0 84 87 A N T < S+ 0 0 132 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 0.702 78.8 115.7 -96.1 -21.7 -2.8 40.8 32.2 85 88 A S < - 0 0 49 -3,-0.8 4,-0.1 -4,-0.3 -3,-0.0 -0.168 65.0-134.5 -55.7 137.9 -2.6 43.6 34.7 86 89 A D S S+ 0 0 170 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.915 96.9 42.1 -55.0 -47.6 -5.0 43.4 37.6 87 90 A R S S- 0 0 188 1,-0.0 2,-0.4 0, 0.0 -32,-0.1 -0.767 99.5-109.8-100.3 145.7 -5.8 47.1 37.2 88 91 A S - 0 0 112 -2,-0.3 -5,-0.1 -4,-0.1 -2,-0.1 -0.658 31.3-146.1 -75.9 128.1 -6.2 48.6 33.7 89 92 A I - 0 0 44 -2,-0.4 2,-0.2 -7,-0.2 -33,-0.1 -0.877 9.1-136.5-100.3 116.7 -3.3 50.8 32.9 90 93 A P - 0 0 85 0, 0.0 2,-0.5 0, 0.0 -2,-0.0 -0.528 18.9-160.8 -69.9 133.6 -4.1 53.8 30.7 91 94 A M - 0 0 57 -2,-0.2 2,-0.6 -32,-0.0 -32,-0.2 -0.977 6.9-150.4-120.4 122.4 -1.5 54.4 28.0 92 95 A T E -b 59 0A 58 -34,-1.7 -32,-3.0 -2,-0.5 2,-0.5 -0.841 14.1-166.3 -93.2 121.0 -1.2 57.7 26.3 93 96 A V E +b 60 0A 63 -2,-0.6 2,-0.3 -34,-0.2 -32,-0.2 -0.915 16.2 160.5-106.7 125.4 0.0 57.4 22.7 94 97 A D E -b 61 0A 33 -34,-3.3 -32,-2.7 -2,-0.5 2,-0.4 -0.934 25.9-136.4-139.5 167.6 1.3 60.5 20.8 95 98 A F E -b 62 0A 74 -2,-0.3 2,-0.5 -34,-0.2 20,-0.2 -0.936 2.6-159.3-123.5 145.5 3.4 61.4 17.8 96 99 A I E -b 63 0A 16 -34,-2.9 -32,-2.0 -2,-0.4 2,-0.4 -0.947 23.0-148.6-122.1 110.1 6.1 64.0 17.1 97 100 A R E -b 64 0A 99 16,-0.9 15,-2.7 -2,-0.5 16,-0.5 -0.639 12.1-167.1 -87.6 125.2 6.4 64.5 13.4 98 101 A L B -I 111 0C 15 -34,-2.3 2,-0.3 -2,-0.4 13,-0.2 -0.912 6.1-155.9-112.0 139.0 9.8 65.5 11.9 99 102 A K - 0 0 126 11,-1.6 11,-0.4 -2,-0.4 2,-0.3 -0.848 23.6-118.5-110.0 149.7 10.4 66.8 8.4 100 103 A S + 0 0 112 -2,-0.3 2,-0.2 9,-0.1 9,-0.1 -0.658 38.6 150.9-103.5 145.4 13.8 66.4 6.7 101 104 A Y 0 0 61 -2,-0.3 4,-0.3 7,-0.2 -1,-0.0 -0.623 360.0 360.0-146.6-163.2 16.4 69.0 5.4 102 105 A C 0 0 98 -2,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.817 360.0 360.0 41.0 360.0 20.0 70.1 4.7 103 ! 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 0.0 104 108 A Q 0 0 116 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -39.7 24.5 66.1 6.5 105 109 A S > + 0 0 59 -4,-0.3 3,-0.6 -3,-0.2 -4,-0.1 -0.671 360.0 156.0-135.3 79.7 23.1 68.0 9.5 106 110 A T T 3 + 0 0 66 -2,-0.2 -1,-0.1 1,-0.2 -4,-0.0 0.706 61.9 75.3 -80.7 -22.4 20.6 65.7 11.2 107 111 A G T 3 S+ 0 0 14 1,-0.1 2,-1.1 -3,-0.1 -1,-0.2 0.777 76.4 84.9 -63.6 -28.7 20.9 67.4 14.6 108 112 A D S < S- 0 0 126 -3,-0.6 2,-0.2 2,-0.0 -7,-0.2 -0.666 71.0-166.0 -76.9 99.7 18.7 70.3 13.4 109 113 A I - 0 0 40 -2,-1.1 2,-0.3 28,-0.1 -9,-0.1 -0.574 15.5-160.1 -85.5 150.2 15.2 69.0 13.9 110 114 A K - 0 0 124 -11,-0.4 -11,-1.6 -2,-0.2 2,-0.1 -0.759 13.9-161.1-129.1 87.2 12.1 70.6 12.4 111 115 A V B +I 98 0C 52 -2,-0.3 -13,-0.2 -13,-0.2 3,-0.1 -0.418 22.5 161.8 -67.6 137.7 9.1 69.5 14.3 112 116 A I + 0 0 107 -15,-2.7 2,-1.7 1,-0.1 -1,-0.2 0.649 66.9 56.0-116.6 -58.6 5.7 69.9 12.6 113 117 A G + 0 0 30 -16,-0.5 -16,-0.9 -49,-0.1 -1,-0.1 -0.578 67.6 136.9 -80.8 82.7 3.3 67.7 14.5 114 118 A G + 0 0 46 -2,-1.7 3,-0.5 -18,-0.2 -1,-0.1 -0.385 21.8 169.9-131.4 55.0 3.7 69.1 17.9 115 119 A D S S- 0 0 94 -20,-0.2 4,-0.2 1,-0.2 -2,-0.0 -0.189 71.8 -16.1 -55.1 157.5 0.3 69.5 19.6 116 120 A D > - 0 0 112 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 0.522 65.7-177.9 2.1 84.1 0.4 70.4 23.3 117 121 A L G > S+ 0 0 23 -3,-0.5 3,-0.9 1,-0.2 -1,-0.2 0.614 77.8 72.7 -71.3 -11.1 4.0 69.4 23.9 118 122 A S G 3 S+ 0 0 63 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.428 72.1 80.7 -86.6 0.3 3.2 70.4 27.5 119 123 A T G < S+ 0 0 64 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.785 85.8 63.5 -67.7 -27.7 1.1 67.2 27.9 120 124 A L S X S+ 0 0 14 -3,-0.9 3,-2.3 -4,-0.2 31,-0.4 0.734 76.0 115.6 -66.1 -26.4 4.6 65.6 28.5 121 125 A T T 3 S- 0 0 72 -3,-0.5 28,-0.2 1,-0.3 3,-0.1 -0.220 90.1 -2.0 -54.8 127.2 5.1 67.7 31.6 122 126 A G T 3 S+ 0 0 42 27,-2.4 -1,-0.3 26,-0.3 2,-0.2 0.643 110.4 115.1 66.8 15.3 5.3 65.5 34.7 123 127 A K S < S- 0 0 92 -3,-2.3 28,-1.3 26,-0.1 29,-1.3 -0.728 74.0-105.9-113.6 166.3 4.7 62.4 32.7 124 128 A N E - d 0 152A 12 -2,-0.2 -65,-3.4 27,-0.2 2,-0.5 -0.807 41.6-161.1 -91.3 108.0 6.7 59.2 32.0 125 129 A V E -cd 59 153A 0 27,-2.6 29,-2.6 -2,-0.8 2,-0.6 -0.793 17.7-169.8-101.5 125.3 7.8 59.4 28.3 126 130 A L E -cd 60 154A 0 -67,-2.1 -65,-3.5 -2,-0.5 2,-0.6 -0.963 14.9-156.7-101.7 118.4 9.0 56.6 26.1 127 131 A I E -cd 61 155A 0 27,-2.6 29,-3.0 -2,-0.6 2,-0.5 -0.872 8.8-156.4 -95.0 124.3 10.4 58.0 22.9 128 132 A V E +cd 62 156A 3 -67,-3.0 -65,-2.7 -2,-0.6 2,-0.3 -0.894 17.6 168.8-110.8 127.2 10.3 55.5 20.1 129 133 A E E - d 0 157A 7 27,-2.8 29,-1.6 -2,-0.5 3,-0.1 -0.945 29.0-146.7-135.1 151.9 12.6 55.7 17.1 130 134 A D E S+ 0 0 11 -2,-0.3 29,-1.5 1,-0.3 2,-0.4 0.862 80.2 10.6 -90.2 -39.5 13.4 53.2 14.3 131 135 A I E - d 0 159A 31 27,-0.2 2,-0.5 26,-0.1 -1,-0.3 -0.999 55.3-160.8-144.0 137.5 17.1 53.9 13.6 132 136 A I E + d 0 160A 7 27,-3.0 29,-2.8 -2,-0.4 25,-0.0 -0.986 23.2 156.2-116.3 129.3 19.8 55.8 15.2 133 137 A D S S+ 0 0 45 -2,-0.5 30,-0.3 27,-0.2 -1,-0.1 0.602 76.4 1.2-114.0 -93.6 22.8 56.7 13.1 134 138 A T S S- 0 0 10 32,-0.2 33,-2.9 33,-0.1 35,-0.3 0.763 90.6-130.4 -73.1 -23.7 25.0 59.7 14.1 135 139 A G S > S+ 0 0 3 31,-0.2 4,-1.9 32,-0.1 5,-0.1 0.451 74.9 116.4 91.1 2.5 22.7 60.3 17.1 136 140 A K H > + 0 0 70 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.901 68.7 54.0 -71.4 -44.0 22.3 64.0 16.4 137 141 A T H > S+ 0 0 26 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.949 113.4 43.4 -54.5 -51.6 18.5 63.9 15.8 138 142 A M H >> S+ 0 0 3 1,-0.2 4,-3.3 2,-0.2 3,-0.9 0.946 109.8 53.1 -62.2 -52.9 17.8 62.2 19.1 139 143 A Q H 3X S+ 0 0 84 -4,-1.9 4,-0.9 1,-0.3 -1,-0.2 0.799 114.5 42.9 -60.0 -29.3 20.1 64.2 21.3 140 144 A T H 3X S+ 0 0 40 -4,-1.7 4,-1.1 2,-0.2 -1,-0.3 0.645 112.8 53.5 -89.8 -14.5 18.6 67.5 20.1 141 145 A L H X S+ 0 0 51 -4,-1.1 3,-0.9 1,-0.2 4,-0.5 0.965 115.6 45.4 -61.7 -55.5 13.4 69.8 23.2 145 149 A V H >< S+ 0 0 3 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.903 106.5 57.6 -57.3 -48.1 11.5 67.2 25.2 146 150 A R H >< S+ 0 0 127 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.704 93.3 68.9 -62.5 -20.2 13.3 67.7 28.5 147 151 A Q H << S+ 0 0 142 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.773 91.2 60.0 -70.5 -24.9 12.4 71.4 28.6 148 152 A Y T << S- 0 0 94 -3,-1.8 -26,-0.3 -4,-0.5 -1,-0.3 0.195 113.7-127.5 -83.4 17.9 8.8 70.4 29.1 149 153 A N < - 0 0 120 -3,-1.4 -27,-2.4 -28,-0.2 -3,-0.1 0.861 30.9-166.0 32.8 78.2 10.2 68.8 32.3 150 154 A P - 0 0 19 0, 0.0 3,-0.2 0, 0.0 -26,-0.2 -0.459 30.3-120.0 -75.9 160.5 8.9 65.2 32.1 151 155 A K S S- 0 0 142 -28,-1.3 2,-0.3 -31,-0.4 -27,-0.2 0.834 93.7 -8.9 -68.9 -31.2 9.1 63.1 35.2 152 156 A M E -d 124 0A 51 -29,-1.3 -27,-2.6 2,-0.0 2,-0.5 -0.921 60.7-155.1-168.3 137.6 11.3 60.7 33.2 153 157 A V E +d 125 0A 34 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.974 14.1 174.4-121.8 121.2 12.5 60.1 29.6 154 158 A K E -d 126 0A 39 -29,-2.6 -27,-2.6 -2,-0.5 2,-0.4 -0.905 18.0-144.2-115.0 155.4 13.6 56.8 28.2 155 159 A V E -d 127 0A 1 -2,-0.3 18,-1.9 -29,-0.2 17,-1.2 -0.956 9.8-168.2-122.4 137.9 14.5 56.2 24.5 156 160 A A E -de 128 173A 1 -29,-3.0 -27,-2.8 -2,-0.4 2,-0.4 -0.977 7.2-179.7-128.1 120.8 13.9 53.0 22.5 157 161 A S E -de 129 174A 0 16,-2.8 18,-2.8 -2,-0.5 -27,-0.2 -0.965 24.5-152.4-122.7 134.5 15.4 52.5 19.1 158 162 A L E S+ 0 0 2 -29,-1.6 18,-2.4 -2,-0.4 2,-0.4 0.927 88.4 26.8 -63.9 -45.1 15.0 49.4 16.8 159 163 A L E -de 131 176A 1 -29,-1.5 -27,-3.0 16,-0.2 2,-0.5 -0.977 58.4-173.8-130.6 129.0 18.4 50.0 15.2 160 164 A V E -de 132 177A 15 16,-2.5 18,-2.0 -2,-0.4 2,-0.4 -0.993 25.8-138.8-119.1 122.4 21.6 51.6 16.5 161 165 A K E - e 0 178A 15 -29,-2.8 2,-1.5 -2,-0.5 19,-0.1 -0.671 9.7-130.0 -89.9 133.8 24.2 51.9 13.8 162 166 A R + 0 0 63 16,-2.8 18,-0.5 -2,-0.4 3,-0.1 -0.634 52.5 150.7 -82.1 87.1 27.8 51.1 14.7 163 167 A T > - 0 0 17 -2,-1.5 3,-1.3 -30,-0.3 -2,-0.0 -0.949 57.1-144.1-127.4 143.1 29.5 54.3 13.2 164 168 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.858 105.9 67.6 -58.8 -37.6 32.6 56.5 13.8 165 169 A R T 3 S+ 0 0 123 -3,-0.1 2,-0.2 2,-0.1 -32,-0.1 0.537 80.4 114.1 -61.5 -4.4 30.2 59.4 12.7 166 170 A S < - 0 0 41 -3,-1.3 -31,-0.2 1,-0.1 -32,-0.2 -0.501 61.5-151.9 -76.3 134.4 28.4 58.7 16.0 167 171 A V - 0 0 65 -33,-2.9 -1,-0.1 -2,-0.2 -32,-0.1 0.343 51.1-104.3 -86.7 5.8 28.4 61.3 18.7 168 172 A G + 0 0 54 1,-0.3 2,-0.2 -34,-0.2 -33,-0.1 0.417 66.1 151.7 92.6 -1.5 27.9 58.6 21.3 169 173 A Y - 0 0 41 -35,-0.3 -1,-0.3 1,-0.0 -2,-0.1 -0.462 26.5-163.2 -62.5 130.9 24.3 58.9 22.3 170 174 A K - 0 0 131 -2,-0.2 -15,-0.1 -35,-0.0 4,-0.0 -0.976 11.8-132.8-121.4 124.7 23.0 55.6 23.4 171 175 A P - 0 0 12 0, 0.0 3,-0.2 0, 0.0 -15,-0.2 -0.204 17.6-124.8 -63.8 161.6 19.3 54.7 23.7 172 176 A D S S+ 0 0 76 -17,-1.2 2,-0.4 1,-0.2 -16,-0.2 0.732 101.5 35.6 -78.2 -25.4 17.9 53.0 26.8 173 177 A F E S- e 0 156A 9 -18,-1.9 -16,-2.8 -171,-0.1 2,-0.5 -0.968 72.5-171.3-133.3 116.9 16.5 50.2 24.7 174 178 A V E - e 0 157A 14 -2,-0.4 -170,-0.2 -173,-0.3 -16,-0.2 -0.936 12.5-170.7-111.0 124.9 18.3 48.9 21.6 175 179 A G E S- 0 0 0 -18,-2.8 -171,-1.8 -2,-0.5 2,-0.4 0.986 75.6 -8.0 -67.4 -63.3 16.7 46.4 19.2 176 180 A F E -ae 4 159A 0 -18,-2.4 -16,-2.5 -173,-0.2 2,-0.6 -0.993 53.5-144.7-142.5 131.0 19.8 45.7 17.1 177 181 A E E -ae 5 160A 36 -173,-1.4 -171,-3.2 -2,-0.4 -16,-0.2 -0.871 38.1-175.0 -90.6 120.0 23.3 47.1 16.9 178 182 A I E - e 0 161A 0 -18,-2.0 -16,-2.8 -2,-0.6 -171,-0.1 -0.730 26.6 -88.4-121.4 161.2 24.1 46.8 13.2 179 183 A P - 0 0 1 0, 0.0 2,-2.5 0, 0.0 -1,-0.1 -0.215 52.1 -93.7 -62.8 155.9 27.1 47.4 10.8 180 184 A D S S+ 0 0 68 -18,-0.5 2,-0.3 -19,-0.1 -19,-0.0 -0.451 85.0 118.2 -73.1 71.8 27.7 50.8 9.2 181 185 A K S S- 0 0 79 -2,-2.5 2,-0.7 0, 0.0 -19,-0.1 -0.972 72.9-101.6-135.0 152.2 25.8 50.1 6.0 182 186 A F - 0 0 94 -2,-0.3 21,-2.0 21,-0.2 2,-0.3 -0.629 46.1-168.4 -81.6 114.3 22.7 51.8 4.6 183 187 A V E -H 202 0B 5 -2,-0.7 2,-0.3 19,-0.2 19,-0.2 -0.703 13.1-174.2-108.5 151.2 19.6 49.6 5.3 184 188 A V E +H 201 0B 0 17,-3.1 17,-3.2 -2,-0.3 5,-0.2 -0.906 35.3 67.5-132.9 163.4 16.0 49.5 4.1 185 189 A G B > S+J 188 0D 1 3,-3.2 3,-2.9 -2,-0.3 2,-2.5 -0.364 73.9 38.2 115.8 167.3 12.9 47.5 5.0 186 190 A Y T 3 S- 0 0 12 11,-3.2 -117,-0.1 1,-0.3 13,-0.1 -0.283 136.5 -3.4 55.0 -76.4 10.4 46.9 7.8 187 191 A A T 3 S+ 0 0 14 -2,-2.5 2,-0.7 -118,-0.1 -1,-0.3 0.501 118.8 84.1-122.4 -11.6 10.2 50.5 8.9 188 192 A L B < -J 185 0D 24 -3,-2.9 -3,-3.2 6,-0.1 2,-0.2 -0.867 56.5-173.8-102.3 111.8 12.7 52.2 6.7 189 193 A D - 0 0 46 -2,-0.7 2,-0.5 -5,-0.2 5,-0.2 -0.544 17.7-139.4 -91.5 165.1 11.5 53.2 3.3 190 194 A Y B > S-K 193 0E 37 3,-2.1 3,-2.5 -2,-0.2 5,-0.1 -0.948 79.2 -32.3-130.0 110.6 13.7 54.7 0.5 191 195 A N T 3 S- 0 0 70 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.905 127.1 -45.9 39.3 53.0 12.1 57.5 -1.4 192 196 A E T 3 S+ 0 0 65 1,-0.3 3,-0.3 2,-0.0 -1,-0.3 0.412 120.5 111.9 77.8 -0.2 8.7 55.8 -0.9 193 197 A Y B < +K 190 0E 109 -3,-2.5 -3,-2.1 1,-0.2 -1,-0.3 -0.541 57.0 35.2-103.7 170.4 10.0 52.4 -1.8 194 198 A F S > S+ 0 0 1 -5,-0.2 3,-1.6 -2,-0.2 -8,-0.2 0.565 72.8 128.3 65.0 9.2 10.7 49.1 0.1 195 199 A R T 3 S+ 0 0 148 -3,-0.3 -2,-0.1 1,-0.3 -1,-0.1 0.846 74.6 49.4 -60.4 -31.4 7.6 49.9 2.1 196 200 A D T 3 S+ 0 0 85 -11,-0.0 2,-0.6 2,-0.0 -1,-0.3 0.357 86.8 106.2 -91.5 4.7 6.4 46.4 1.3 197 201 A L < - 0 0 3 -3,-1.6 -11,-3.2 1,-0.1 4,-0.1 -0.799 52.6-166.1 -89.4 118.9 9.7 44.9 2.3 198 202 A N + 0 0 70 -2,-0.6 2,-0.2 -13,-0.2 -1,-0.1 0.740 62.7 65.3 -71.3 -31.2 9.3 43.0 5.6 199 203 A H S S- 0 0 4 -13,-0.1 2,-0.8 -165,-0.1 -13,-0.3 -0.551 84.3-111.7-102.4 158.9 13.0 42.6 6.4 200 204 A V E +G 33 0B 2 -167,-2.5 -168,-2.5 -2,-0.2 -167,-2.0 -0.824 50.8 168.5 -86.4 111.2 15.9 44.9 7.2 201 205 A C E -GH 31 184B 0 -17,-3.2 -17,-3.1 -2,-0.8 2,-0.4 -0.966 40.5-110.3-128.4 144.3 18.2 44.6 4.2 202 206 A V E - 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