==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 25-JUL-11 3T3I . COMPND 2 MOLECULE: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR A.L.KANTSADI,V.T.SKAMNAKI,D.D.LEONIDAS . 810 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 619 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 0.2 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 . 52 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 2 2 3 4 3 2 2 4 1 1 0 1 0 3 0 1 0 1 0 1 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 3 1 3 2 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 PARALLEL BRIDGES PER LADDER . 0 3 1 0 1 0 0 0 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 . 2 1 0 0 1 0 0 0 1 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 12 A Q 0 0 224 0, 0.0 2,-0.3 0, 0.0 94,-0.0 0.000 360.0 360.0 360.0 -56.7 -2.4 11.2 31.2 2 13 A I > - 0 0 40 1,-0.1 3,-0.8 4,-0.1 93,-0.1 -0.837 360.0-122.1-117.3 153.3 0.5 10.2 28.8 3 14 A S G > S+ 0 0 68 -2,-0.3 3,-1.4 1,-0.2 92,-0.1 0.863 101.4 50.9 -60.9 -53.4 2.1 6.8 28.0 4 15 A V G 3 S+ 0 0 1 1,-0.3 -1,-0.2 469,-0.2 90,-0.1 0.653 92.3 76.7 -64.8 -20.5 5.8 7.2 28.9 5 16 A R G < S- 0 0 29 -3,-0.8 90,-2.4 1,-0.2 91,-0.4 0.351 101.0-130.6 -74.0 6.2 5.1 8.7 32.3 6 17 A G < - 0 0 18 -3,-1.4 -1,-0.2 88,-0.2 2,-0.2 -0.107 38.4 -25.8 81.9-171.8 4.3 5.1 33.5 7 18 A L - 0 0 153 85,-0.3 89,-0.5 -3,-0.1 2,-0.3 -0.496 34.9-159.3 -81.6 143.7 1.5 3.4 35.4 8 19 A A - 0 0 47 -2,-0.2 2,-0.1 87,-0.2 -1,-0.1 -0.608 25.1-174.2-117.3 68.4 -0.9 5.0 37.9 9 20 A G > - 0 0 35 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.365 34.5-123.0 -60.6 136.7 -2.1 1.9 39.8 10 21 A V H > S+ 0 0 127 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.845 115.1 48.5 -38.6 -49.0 -4.9 2.2 42.5 11 22 A E H > S+ 0 0 166 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.950 113.0 45.8 -64.1 -53.2 -2.4 0.7 45.0 12 23 A N H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.893 114.1 49.0 -55.7 -41.3 0.5 3.0 44.1 13 24 A V H X S+ 0 0 5 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.834 112.2 46.7 -70.5 -33.3 -1.7 6.1 44.2 14 25 A T H X S+ 0 0 60 -4,-1.6 4,-1.4 -5,-0.3 -2,-0.2 0.907 114.0 48.2 -78.1 -42.2 -3.3 5.3 47.6 15 26 A E H X S+ 0 0 108 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.842 109.4 54.4 -60.4 -33.8 0.1 4.5 49.1 16 27 A L H X S+ 0 0 7 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.958 108.9 47.2 -68.7 -47.0 1.6 7.7 47.6 17 28 A K H X S+ 0 0 53 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.762 109.1 53.2 -63.7 -32.6 -1.1 9.9 49.2 18 29 A K H X S+ 0 0 109 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.910 111.0 46.1 -76.3 -34.4 -0.8 8.4 52.6 19 30 A N H X S+ 0 0 35 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.786 108.5 57.0 -70.5 -29.4 3.0 8.9 52.7 20 31 A F H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.952 110.6 44.0 -65.4 -48.7 2.5 12.5 51.5 21 32 A N H X S+ 0 0 65 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.815 110.9 54.7 -65.2 -32.1 0.2 13.1 54.5 22 33 A R H X>S+ 0 0 96 -4,-1.7 4,-3.0 2,-0.2 5,-0.6 0.956 111.1 44.5 -65.4 -47.9 2.6 11.3 56.8 23 34 A H H X>S+ 0 0 10 -4,-2.5 5,-2.4 1,-0.2 4,-0.9 0.884 110.2 54.0 -63.3 -38.5 5.5 13.6 55.7 24 35 A L H <5S+ 0 0 5 -4,-2.3 6,-2.3 3,-0.2 -1,-0.2 0.882 119.7 34.8 -62.2 -34.6 3.5 16.8 55.9 25 36 A H H X5S+ 0 0 111 -4,-1.4 4,-0.7 4,-0.2 -2,-0.2 0.970 130.4 25.9 -86.6 -60.9 2.5 15.9 59.5 26 37 A F H <5S+ 0 0 146 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.891 131.0 32.2 -75.4 -39.1 5.6 14.2 61.0 27 38 A T T <> - 0 0 75 -2,-0.3 3,-1.6 -3,-0.1 4,-1.5 -0.868 40.9 -90.0-125.9 169.5 -1.3 20.6 58.7 32 43 A R T 34 S+ 0 0 100 -2,-0.3 3,-0.2 1,-0.3 -7,-0.0 0.795 120.3 57.5 -47.7 -41.5 -3.4 21.4 55.6 33 44 A N T 34 S+ 0 0 151 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.750 115.0 33.1 -64.9 -31.7 -4.5 24.8 56.9 34 45 A V T <4 S+ 0 0 92 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.636 91.6 112.9-100.2 -14.7 -1.0 26.3 57.5 35 46 A A < - 0 0 16 -4,-1.5 -11,-0.0 -3,-0.2 -5,-0.0 -0.247 47.3-158.7 -67.4 144.3 0.9 24.7 54.6 36 47 A T >> - 0 0 71 1,-0.0 4,-2.0 0, 0.0 3,-1.2 -0.754 40.4 -93.8-114.4 164.5 2.3 26.7 51.7 37 48 A P H 3> S+ 0 0 57 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.848 126.2 60.1 -52.0 -30.2 3.2 25.3 48.3 38 49 A R H 3> S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.891 103.5 49.6 -65.4 -37.5 6.8 25.0 49.5 39 50 A D H <> S+ 0 0 19 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.924 110.1 52.8 -61.7 -43.7 5.6 22.6 52.3 40 51 A Y H X S+ 0 0 22 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.942 106.8 51.1 -58.2 -45.6 3.8 20.7 49.6 41 52 A Y H X S+ 0 0 9 -4,-3.0 4,-3.6 1,-0.2 -1,-0.2 0.927 111.5 48.8 -55.2 -44.8 6.9 20.4 47.4 42 53 A F H X S+ 0 0 24 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.883 107.9 52.2 -65.1 -38.8 8.9 19.0 50.4 43 54 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.969 115.0 42.6 -64.0 -47.3 6.2 16.5 51.4 44 55 A L H X S+ 0 0 4 -4,-2.2 4,-3.0 -5,-0.2 5,-0.3 0.966 112.4 54.9 -60.8 -46.9 6.2 15.2 47.8 45 56 A A H X S+ 0 0 0 -4,-3.6 4,-2.8 -5,-0.2 -2,-0.2 0.944 111.8 42.7 -53.4 -50.8 10.1 15.4 47.7 46 57 A H H X S+ 0 0 37 -4,-3.4 4,-1.1 2,-0.2 -1,-0.2 0.855 112.3 55.0 -60.9 -34.7 10.4 13.2 50.9 47 58 A T H >X S+ 0 0 2 -4,-2.3 4,-0.9 -5,-0.3 3,-0.5 0.965 111.9 42.4 -66.1 -48.3 7.7 10.8 49.6 48 59 A V H >X S+ 0 0 0 -4,-3.0 3,-1.4 1,-0.2 4,-0.8 0.964 109.8 57.3 -60.5 -49.8 9.6 10.3 46.3 49 60 A R H 3X S+ 0 0 58 -4,-2.8 4,-1.2 -5,-0.3 3,-0.3 0.754 95.9 67.5 -54.7 -21.9 13.0 10.0 48.2 50 61 A D H X S+ 0 0 104 -4,-1.9 4,-2.2 2,-0.2 3,-1.3 0.933 107.0 56.2 -69.2 -48.8 25.4 -4.0 49.1 62 73 A H H 3X S+ 0 0 58 -4,-2.6 4,-2.7 1,-0.3 5,-0.3 0.930 106.5 52.3 -45.8 -50.0 25.4 -5.6 45.7 63 74 A Y H 3X S+ 0 0 7 -4,-2.2 4,-0.9 1,-0.2 -1,-0.3 0.699 108.7 50.2 -63.6 -21.7 28.7 -3.9 44.9 64 75 A Y H << S+ 0 0 144 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.931 113.5 43.1 -82.1 -49.0 30.2 -5.2 48.1 65 76 A E H < S+ 0 0 136 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.924 123.8 37.9 -53.6 -49.7 29.2 -8.9 47.5 66 77 A K H < S- 0 0 146 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.714 87.8-158.9 -84.6 -22.1 30.2 -8.7 43.8 67 78 A D < + 0 0 39 -4,-0.9 -3,-0.1 -5,-0.3 -4,-0.1 0.886 21.7 175.6 44.8 59.7 33.3 -6.5 44.2 68 79 A P - 0 0 48 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.262 43.1 -76.0 -82.9 177.9 33.5 -5.2 40.7 69 80 A K - 0 0 48 733,-0.1 73,-0.4 240,-0.1 2,-0.4 -0.543 54.4-135.5 -66.8 138.0 36.0 -2.6 39.4 70 81 A R E -a 309 0A 22 238,-2.6 240,-2.2 -2,-0.2 2,-0.6 -0.859 6.7-144.7-107.1 135.3 34.9 0.9 40.6 71 82 A I E -ab 310 143A 1 71,-2.1 73,-3.2 -2,-0.4 2,-0.6 -0.833 10.9-166.3 -97.6 125.1 34.8 4.1 38.6 72 83 A Y E -ab 311 144A 3 238,-3.2 240,-3.1 -2,-0.6 2,-0.8 -0.963 2.4-163.8-111.8 118.2 35.7 7.3 40.3 73 84 A Y E -ab 312 145A 1 71,-2.7 73,-2.3 -2,-0.6 2,-0.6 -0.863 7.7-163.4-103.8 95.5 34.7 10.5 38.4 74 85 A L E +ab 313 146A 0 238,-2.0 240,-2.0 -2,-0.8 2,-0.3 -0.718 22.0 156.4 -81.7 119.8 36.6 13.4 40.0 75 86 A S - 0 0 0 71,-2.3 73,-0.2 -2,-0.6 240,-0.1 -0.992 44.4-149.4-140.6 146.1 35.1 16.8 39.0 76 87 A L S S+ 0 0 1 238,-0.4 2,-0.4 -2,-0.3 72,-0.1 0.423 91.8 54.5 -85.1 -0.8 35.2 20.2 40.5 77 88 A E + 0 0 6 48,-0.1 2,-0.3 237,-0.1 44,-0.2 -0.996 49.6 168.6-140.7 130.9 31.8 20.7 38.9 78 89 A F E -J 120 0B 3 42,-2.4 2,-1.8 -2,-0.4 42,-0.7 -0.821 15.3-165.9-138.3 95.0 28.5 18.8 38.9 79 90 A Y E + 0 0 6 47,-2.5 40,-0.2 -2,-0.3 51,-0.1 -0.538 23.3 160.6 -86.5 78.4 25.7 20.8 37.3 80 91 A M E - 0 0 27 -2,-1.8 -1,-0.2 38,-0.5 39,-0.2 0.830 17.9-171.4 -72.1 -37.8 22.8 18.7 38.5 81 92 A G E -J 118 0B 1 37,-1.9 37,-1.1 -3,-0.2 -1,-0.2 -0.448 55.0 -6.2 71.0-152.5 19.8 21.1 38.2 82 93 A R - 0 0 28 35,-0.2 4,-0.2 1,-0.1 35,-0.1 -0.415 54.4-166.6 -81.9 155.9 16.5 19.8 39.8 83 94 A T > + 0 0 21 -2,-0.1 4,-2.3 3,-0.1 5,-0.2 0.674 67.8 73.6-114.4 -26.0 16.2 16.3 41.2 84 95 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.950 101.5 38.7 -65.6 -54.7 12.5 15.6 41.7 85 96 A Q H > S+ 0 0 33 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.945 116.9 52.3 -62.9 -44.7 11.2 15.1 38.2 86 97 A N H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 109.9 49.2 -57.8 -41.1 14.3 13.3 37.2 87 98 A T H X S+ 0 0 2 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.962 112.5 46.8 -64.4 -48.1 13.9 11.0 40.2 88 99 A M H >X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-1.0 0.942 111.5 53.0 -57.2 -48.1 10.2 10.3 39.3 89 100 A V H ><5S+ 0 0 0 -4,-3.3 3,-1.2 1,-0.2 -1,-0.2 0.933 109.2 46.4 -51.2 -50.9 11.1 9.7 35.7 90 101 A N H 3<5S+ 0 0 2 -4,-2.3 133,-2.3 1,-0.3 135,-0.3 0.621 116.7 45.6 -76.1 -10.2 13.8 7.1 36.4 91 102 A L H <<5S- 0 0 22 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.379 107.9-122.2-107.5 -5.2 11.5 5.3 38.9 92 103 A A T <<5S+ 0 0 31 -3,-1.2 -85,-0.3 -4,-0.9 4,-0.2 0.834 77.9 121.3 65.4 33.4 8.5 5.3 36.7 93 104 A L >< + 0 0 10 -5,-2.1 4,-2.9 -6,-0.2 5,-0.3 0.406 35.2 103.5-102.4 -0.2 6.5 7.2 39.3 94 105 A E H > S+ 0 0 1 -6,-0.6 4,-1.8 1,-0.2 -88,-0.2 0.869 84.3 37.2 -58.2 -48.8 5.6 10.2 37.3 95 106 A N H > S+ 0 0 15 -90,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.861 116.8 54.5 -72.9 -37.7 1.9 9.5 36.4 96 107 A A H > S+ 0 0 0 -89,-0.5 4,-3.0 -91,-0.4 5,-0.2 0.941 110.4 43.6 -56.6 -53.6 1.3 8.0 39.9 97 108 A C H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.887 112.9 54.3 -64.7 -36.0 2.6 11.1 41.8 98 109 A D H X S+ 0 0 43 -4,-1.8 4,-2.3 -5,-0.3 10,-0.2 0.910 112.6 42.5 -59.9 -47.9 0.6 13.2 39.3 99 110 A E H X S+ 0 0 73 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.979 114.6 50.0 -59.9 -60.6 -2.6 11.3 40.1 100 111 A A H X S+ 0 0 3 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.848 114.8 44.6 -45.8 -42.4 -1.9 11.2 43.8 101 112 A T H <>S+ 0 0 3 -4,-2.6 5,-3.2 -5,-0.2 3,-0.3 0.902 110.7 51.6 -79.0 -40.8 -1.2 15.0 43.9 102 113 A Y H ><5S+ 0 0 165 -4,-2.3 3,-1.3 3,-0.2 -1,-0.2 0.860 108.1 56.1 -55.7 -36.1 -4.2 15.9 41.7 103 114 A Q H 3<5S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.803 103.4 51.6 -71.2 -29.3 -6.3 13.8 44.2 104 115 A L T 3<5S- 0 0 26 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.250 127.2-105.7 -83.5 8.8 -5.1 15.9 47.1 105 116 A G T < 5S+ 0 0 63 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.804 80.1 127.1 72.6 28.6 -6.2 18.9 45.1 106 117 A L < - 0 0 29 -5,-3.2 2,-0.6 -8,-0.1 -1,-0.3 -0.783 59.6-127.7-112.4 160.3 -2.7 20.0 44.1 107 118 A D > - 0 0 87 -2,-0.3 4,-1.4 1,-0.1 3,-0.4 -0.927 15.2-159.5-103.5 113.8 -0.9 20.7 40.8 108 119 A M H > S+ 0 0 2 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.880 88.5 56.0 -64.9 -34.3 2.3 18.7 40.6 109 120 A E H > S+ 0 0 82 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.868 105.3 52.6 -66.3 -33.6 4.0 21.0 38.0 110 121 A E H 4 S+ 0 0 105 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.809 107.7 52.2 -70.5 -30.8 3.5 24.0 40.2 111 122 A L H >< S+ 0 0 3 -4,-1.4 3,-1.8 1,-0.2 4,-0.5 0.900 103.2 59.0 -65.5 -38.5 5.2 22.1 43.0 112 123 A E H >< S+ 0 0 15 -4,-1.9 3,-1.1 1,-0.3 -2,-0.2 0.836 94.9 63.7 -63.1 -35.3 8.2 21.3 40.7 113 124 A E T 3< S+ 0 0 82 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.436 93.1 64.4 -68.7 -3.0 8.9 25.0 40.1 114 125 A I T < S+ 0 0 36 -3,-1.8 -1,-0.2 -77,-0.1 2,-0.2 0.705 77.4 99.5 -95.4 -24.5 9.7 25.4 43.8 115 126 A E S < S- 0 0 12 -3,-1.1 2,-0.2 -4,-0.5 -33,-0.1 -0.450 74.0-130.7 -57.6 126.0 12.8 23.1 43.8 116 127 A E - 0 0 72 -2,-0.2 2,-0.2 55,-0.2 -2,-0.1 -0.609 24.3-109.8 -73.7 139.2 16.1 25.1 43.6 117 128 A D - 0 0 16 -2,-0.2 2,-1.3 -35,-0.1 -35,-0.2 -0.471 19.2-129.3 -56.6 135.6 18.6 24.1 40.9 118 129 A A E -J 81 0B 10 -37,-1.1 -37,-1.9 -2,-0.2 2,-1.2 -0.771 33.3-176.7 -83.0 92.5 21.7 22.5 42.3 119 130 A G E + 0 0 2 -2,-1.3 35,-2.4 -39,-0.2 2,-0.5 -0.413 24.6 147.1 -93.7 59.5 23.9 24.8 40.2 120 131 A L E +J 78 0B 3 -2,-1.2 -42,-2.4 -42,-0.7 2,-0.3 -0.147 60.5 49.2 -90.7 39.5 27.2 23.3 41.3 121 132 A G S S- 0 0 0 -2,-0.5 33,-0.4 -44,-0.2 3,-0.1 -0.961 72.5-128.4-163.4 173.1 28.8 24.1 37.9 122 133 A N - 0 0 4 -2,-0.3 2,-0.2 144,-0.1 462,-0.2 0.730 69.4 -66.6-103.0 -31.8 29.3 26.8 35.2 123 134 A G S > S+ 0 0 4 421,-0.1 4,-1.8 422,-0.0 3,-0.3 -0.765 99.3 8.0 178.1-125.8 28.1 25.2 32.0 124 135 A G H > S+ 0 0 19 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.819 122.6 50.1 -59.2 -43.1 29.1 22.4 29.6 125 136 A L H > S+ 0 0 26 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.894 115.0 43.2 -69.4 -38.2 31.9 20.8 31.7 126 137 A G H > S+ 0 0 0 -3,-0.3 -47,-2.5 2,-0.2 4,-1.3 0.796 115.4 49.9 -73.4 -27.4 29.8 20.6 34.9 127 138 A R H X S+ 0 0 6 -4,-1.8 4,-2.8 2,-0.2 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S+ 0 0 79 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.899 111.6 51.6 -52.7 -47.0 60.0 17.7 40.1 381 405 A E H X S+ 0 0 66 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.875 110.1 48.7 -59.7 -39.7 60.8 14.0 40.5 382 406 A I H X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.939 111.2 50.6 -68.3 -44.0 58.1 13.1 37.9 383 407 A N H X S+ 0 0 15 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.884 108.2 51.3 -56.2 -45.4 59.5 15.7 35.5 384 408 A Q H X S+ 0 0 126 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.959 113.8 43.4 -60.2 -50.8 63.1 14.5 35.8 385 409 A R H X S+ 0 0 97 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.793 114.8 50.8 -69.0 -28.3 62.2 10.9 35.0 386 410 A F H >X S+ 0 0 8 -4,-1.9 4,-1.7 2,-0.2 3,-0.9 0.923 108.0 50.7 -71.2 -46.3 59.9 12.0 32.3 387 411 A L H 3X S+ 0 0 36 -4,-2.9 4,-2.7 1,-0.3 -2,-0.2 0.809 103.5 60.1 -67.3 -30.1 62.4 14.1 30.6 388 412 A N H 3X S+ 0 0 109 -4,-1.9 4,-1.2 1,-0.2 -1,-0.3 0.778 105.4 49.1 -65.9 -29.0 64.9 11.2 30.6 389 413 A R H < S- 0 0 57 -4,-2.2 3,-1.8 -5,-0.1 -1,-0.2 -0.538 84.7-165.1-136.3 64.4 64.7 12.0 20.7 395 419 A P T 3 S+ 0 0 108 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.242 70.8 14.4 -66.8 143.1 68.4 12.5 21.5 396 420 A G T 3 S+ 0 0 76 1,-0.1 2,-2.2 -5,-0.1 3,-0.2 0.222 86.3 124.5 83.8 -14.8 69.8 16.0 21.0 397 421 A D <> + 0 0 53 -3,-1.8 4,-1.5 1,-0.2 -1,-0.1 -0.430 26.7 164.9 -78.2 71.6 66.4 17.5 20.6 398 422 A V H > S+ 0 0 114 -2,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.819 71.0 58.5 -60.1 -31.7 66.9 20.2 23.4 399 423 A D H > S+ 0 0 76 -3,-0.2 4,-2.8 1,-0.2 5,-0.3 0.972 102.0 51.7 -61.7 -53.5 63.9 22.2 22.2 400 424 A R H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.862 106.5 58.3 -46.5 -41.5 61.4 19.3 22.6 401 425 A L H >X S+ 0 0 47 -4,-1.5 4,-1.9 2,-0.2 3,-0.5 0.972 109.4 40.6 -58.8 -56.1 62.8 19.0 26.2 402 426 A R H 3< S+ 0 0 163 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.894 115.6 52.7 -59.9 -38.4 61.9 22.6 27.1 403 427 A R H 3< S+ 0 0 81 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.771 115.3 40.3 -64.8 -30.7 58.5 22.3 25.3 404 428 A M H << S+ 0 0 0 -4,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.703 83.8 120.1 -94.7 -22.2 57.6 19.1 27.1 405 429 A S < - 0 0 14 -4,-1.9 11,-0.2 -5,-0.2 14,-0.1 -0.048 62.2-141.0 -39.3 135.2 58.8 20.0 30.6 406 430 A L S S+ 0 0 0 1,-0.1 10,-2.7 13,-0.1 2,-0.7 0.776 92.8 73.0 -66.0 -23.2 56.0 20.0 33.2 407 431 A V E S-N 415 0E 11 8,-0.2 2,-0.4 -27,-0.1 8,-0.2 -0.829 75.4-155.7 -97.3 108.5 57.9 23.0 34.5 408 432 A E E -N 414 0E 63 6,-2.0 6,-1.8 -2,-0.7 2,-0.1 -0.696 11.7-148.1 -81.1 131.6 57.6 26.2 32.4 409 433 A E + 0 0 148 -2,-0.4 2,-0.3 4,-0.2 3,-0.2 -0.317 44.9 90.4 -87.9 175.5 60.5 28.7 32.8 410 434 A G S S- 0 0 56 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 -0.864 92.8 -27.8 131.7-167.1 60.2 32.5 32.6 411 435 A A S S+ 0 0 114 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.940 137.1 19.9 -50.4 -55.7 59.6 35.5 34.9 412 436 A V S S- 0 0 67 -3,-0.2 -1,-0.2 -47,-0.0 2,-0.2 -0.969 90.3-122.7-117.0 129.7 57.5 33.2 37.2 413 437 A K - 0 0 80 -2,-0.5 -48,-2.4 -3,-0.1 -47,-0.4 -0.468 33.1-170.5 -65.9 136.2 57.9 29.5 37.1 414 438 A R E -MN 364 408E 84 -6,-1.8 -6,-2.0 -50,-0.3 2,-0.6 -0.904 23.9-133.0-122.6 155.3 54.7 27.6 36.4 415 439 A I E -MN 363 407E 0 -52,-2.2 -52,-1.4 -2,-0.3 2,-0.9 -0.961 21.8-140.8-100.8 116.0 53.7 23.9 36.5 416 440 A N E > -M 362 0E 9 -10,-2.7 4,-1.4 -2,-0.6 -54,-0.2 -0.680 14.3-164.2 -73.0 106.8 51.8 23.1 33.3 417 441 A M H > S+ 0 0 0 -56,-1.4 4,-1.7 -2,-0.9 -1,-0.2 0.825 83.7 60.3 -65.8 -36.8 49.1 20.9 34.8 418 442 A A H > S+ 0 0 3 -57,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.932 104.0 51.9 -54.5 -43.3 48.0 19.4 31.4 419 443 A H H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.923 106.3 54.6 -60.8 -42.5 51.6 18.1 31.0 420 444 A L H X S+ 0 0 0 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.873 108.0 49.5 -53.0 -42.2 51.3 16.5 34.4 421 445 A C H X S+ 0 0 0 -4,-1.7 4,-0.6 -3,-0.2 -1,-0.2 0.883 108.9 50.3 -74.3 -37.7 48.1 14.6 33.4 422 446 A I H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.962 110.9 49.7 -64.0 -47.4 49.5 13.3 30.1 423 447 A A H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.802 119.0 37.5 -56.8 -33.8 52.7 11.9 31.9 424 448 A G H 3< S+ 0 0 0 -4,-1.3 -76,-0.4 -5,-0.2 2,-0.3 0.287 103.0 78.8-112.6 10.3 50.7 10.2 34.6 425 449 A S << - 0 0 0 -3,-1.0 -76,-0.2 -4,-0.6 -80,-0.1 -0.862 61.6-148.5-116.1 152.5 47.7 8.9 32.8 426 450 A H S S+ 0 0 61 -78,-2.2 2,-0.4 -81,-0.8 -77,-0.2 0.624 87.9 31.7 -89.6 -18.4 47.3 5.8 30.5 427 451 A A - 0 0 0 -79,-0.5 -77,-2.0 -82,-0.2 2,-0.4 -0.990 61.1-172.9-138.6 144.2 44.6 7.4 28.3 428 452 A V E -hi 350 455A 0 26,-2.8 28,-2.9 -2,-0.4 2,-0.4 -0.994 15.2-175.0-132.6 130.4 44.1 11.0 27.3 429 453 A N E -hi 351 456A 1 -79,-2.1 -77,-2.3 -2,-0.4 28,-0.2 -0.981 19.3-148.7-131.3 141.5 41.0 11.9 25.4 430 454 A G E - i 0 457A 0 26,-1.4 28,-1.1 -2,-0.4 -77,-0.1 -0.320 30.5-117.3 -83.7-174.2 39.4 15.0 23.7 431 455 A V S S+ 0 0 2 1,-0.2 29,-2.6 26,-0.2 2,-0.3 0.345 87.2 21.3-122.7 0.6 35.7 15.4 23.5 432 456 A A S > S- 0 0 0 27,-0.3 4,-2.6 238,-0.1 5,-0.2 -0.945 85.7-102.5-155.5 164.0 34.8 15.4 19.8 433 457 A R H > S+ 0 0 90 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.853 119.0 45.1 -59.1 -38.0 36.6 13.9 16.8 434 458 A I H > S+ 0 0 35 236,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.875 112.5 52.4 -76.3 -32.8 37.9 17.3 15.5 435 459 A H H > S+ 0 0 5 214,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.904 107.9 51.3 -66.7 -44.7 39.0 18.4 18.9 436 460 A S H X S+ 0 0 4 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.856 110.9 48.5 -60.3 -37.6 41.0 15.1 19.5 437 461 A E H X S+ 0 0 79 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.936 107.8 54.0 -67.2 -47.9 42.8 15.6 16.1 438 462 A I H X S+ 0 0 22 -4,-2.5 4,-2.7 1,-0.2 6,-0.3 0.897 106.1 53.9 -54.2 -40.9 43.7 19.2 17.0 439 463 A L H <>S+ 0 0 2 -4,-2.0 5,-2.2 1,-0.2 -1,-0.2 0.934 112.8 43.0 -53.9 -51.4 45.2 17.9 20.2 440 464 A K H <5S+ 0 0 41 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.777 119.9 42.5 -68.3 -29.7 47.4 15.5 18.2 441 465 A K H <5S+ 0 0 130 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.735 129.0 9.6 -89.7 -25.2 48.3 18.1 15.5 442 466 A T T ><5S+ 0 0 80 -4,-2.7 3,-2.0 -5,-0.3 4,-0.3 0.453 123.9 19.1-123.5 -98.3 48.9 21.1 17.7 443 467 A I T 3 5S+ 0 0 65 1,-0.3 -4,-0.1 -5,-0.2 -3,-0.1 0.655 132.0 32.4 -64.0 -24.3 49.2 21.5 21.5 444 468 A F T 3> S+ 0 0 94 -3,-2.0 4,-1.9 1,-0.2 5,-0.2 0.900 76.3 49.6 -48.8 -52.8 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0, 0.0 5,-0.2 0.862 86.1 57.4 -61.0 -39.6 28.6 48.4 3.1 713 737 A E H > S+ 0 0 68 1,-0.2 4,-0.9 2,-0.2 -5,-0.1 0.887 112.1 42.3 -60.5 -37.4 26.0 46.6 5.3 714 738 A L H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.858 109.1 56.9 -75.1 -38.7 28.7 45.9 7.9 715 739 A R H X S+ 0 0 84 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.943 106.5 52.1 -56.9 -47.8 30.2 49.4 7.7 716 740 A Q H X S+ 0 0 85 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.790 106.6 52.2 -56.5 -36.6 26.8 50.8 8.5 717 741 A I H X S+ 0 0 1 -4,-0.9 4,-2.4 -3,-0.2 -1,-0.2 0.918 111.3 46.8 -69.7 -42.6 26.5 48.6 11.6 718 742 A I H X S+ 0 0 5 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.907 110.5 52.9 -65.0 -40.7 29.9 49.8 12.9 719 743 A E H X S+ 0 0 109 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.875 110.2 48.9 -62.5 -32.0 28.9 53.4 12.2 720 744 A Q H X>S+ 0 0 17 -4,-1.4 5,-1.8 2,-0.2 4,-0.7 0.938 111.2 47.9 -73.6 -47.3 25.7 52.9 14.2 721 745 A L H ><5S+ 0 0 3 -4,-2.4 3,-0.7 1,-0.2 13,-0.4 0.939 117.0 44.1 -51.9 -55.0 27.6 51.3 17.2 722 746 A S H 3<5S+ 0 0 64 -4,-2.7 -2,-0.2 1,-0.2 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3,-0.5 0.233 75.9 112.3-104.6 15.6 30.3 50.7 22.9 735 759 A K H <> S+ 0 0 124 -3,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.759 76.0 57.9 -58.4 -27.1 33.7 52.2 21.9 736 760 A D H > S+ 0 0 56 -3,-0.4 4,-2.3 -4,-0.2 -1,-0.2 0.917 108.2 43.1 -69.7 -44.7 35.4 49.1 23.5 737 761 A I H > S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.912 114.5 48.7 -66.9 -48.9 33.5 46.6 21.3 738 762 A V H X S+ 0 0 14 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.871 113.0 51.9 -58.8 -37.5 34.0 48.5 18.1 739 763 A N H X S+ 0 0 79 -4,-1.4 4,-2.2 -5,-0.3 5,-0.5 0.927 111.1 43.8 -64.8 -47.8 37.6 48.8 19.1 740 764 A M H X S+ 0 0 14 -4,-2.3 4,-1.7 1,-0.2 5,-0.2 0.915 112.8 52.6 -64.4 -45.2 38.1 45.1 19.7 741 765 A L H < S+ 0 0 0 -4,-2.9 9,-0.2 1,-0.2 -1,-0.2 0.824 116.5 40.5 -57.4 -36.7 36.2 44.2 16.5 742 766 A M H < S+ 0 0 24 -4,-1.6 -38,-0.4 -5,-0.2 -37,-0.3 0.800 133.8 9.7 -86.6 -32.5 38.4 46.5 14.5 743 767 A H H < S+ 0 0 122 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.663 130.2 29.4-124.9 -24.1 41.9 45.9 16.0 744 768 A H < + 0 0 126 -4,-1.7 2,-1.1 -5,-0.5 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113.2 51.3 -53.3 -46.8 23.9 36.4 6.8 758 782 A K H X S+ 0 0 122 -4,-2.2 4,-1.3 -5,-0.2 3,-0.3 0.947 111.9 47.3 -53.6 -49.1 23.6 34.5 3.5 759 783 A C H X S+ 0 0 5 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.871 106.4 58.1 -61.7 -39.4 23.0 31.2 5.4 760 784 A Q H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.881 102.3 55.2 -57.7 -38.7 20.5 33.0 7.6 761 785 A E H X S+ 0 0 96 -4,-2.0 4,-1.6 -3,-0.3 -1,-0.2 0.878 105.3 51.6 -60.0 -40.3 18.5 33.8 4.4 762 786 A R H X S+ 0 0 132 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.823 107.2 54.7 -66.9 -31.3 18.4 30.1 3.5 763 787 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.955 107.6 47.7 -64.4 -51.7 17.0 29.4 7.0 764 788 A S H X S+ 0 0 25 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.834 109.0 57.3 -57.6 -33.7 14.2 31.9 6.5 765 789 A A H < S+ 0 0 54 -4,-1.6 4,-0.4 1,-0.2 3,-0.3 0.933 106.6 45.4 -68.3 -49.3 13.4 30.4 3.1 766 790 A L H >< S+ 0 0 32 -4,-1.9 3,-1.5 1,-0.2 7,-0.5 0.850 106.7 61.5 -60.6 -32.3 12.9 26.9 4.5 767 791 A Y H 3< S+ 0 0 45 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.884 92.8 64.4 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20.8 788 812 A S B X> -o 462 0F 5 -3,-1.8 3,-1.4 -327,-0.3 4,-1.3 -0.692 68.2-134.2 -80.4 129.2 23.4 10.0 23.8 789 813 A S H 3> S+ 0 0 0 -327,-3.3 4,-2.3 -2,-0.5 5,-0.2 0.661 103.9 73.2 -57.4 -14.2 25.7 9.9 26.8 790 814 A D H 3> S+ 0 0 13 -328,-0.4 4,-2.1 2,-0.2 -1,-0.3 0.934 99.2 44.3 -63.3 -41.5 24.9 6.2 26.9 791 815 A R H <> S+ 0 0 39 -3,-1.4 4,-2.1 -6,-0.2 -2,-0.2 0.940 113.5 50.8 -62.8 -53.5 27.1 5.7 23.8 792 816 A T H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.909 112.4 45.4 -48.1 -50.4 29.9 7.9 25.3 793 817 A I H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.919 108.8 54.9 -71.0 -40.3 30.0 6.1 28.6 794 818 A A H X S+ 0 0 14 -4,-2.1 4,-2.3 -5,-0.2 5,-0.3 0.892 109.9 50.2 -54.8 -36.9 29.9 2.7 27.0 795 819 A Q H X S+ 0 0 59 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.932 110.3 47.3 -70.3 -41.4 33.0 3.9 25.0 796 820 A Y H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-1.9 0.948 113.0 51.3 -57.6 -47.5 34.8 5.1 28.2 797 821 A A H <>S+ 0 0 0 -4,-3.2 6,-2.1 3,-0.2 5,-1.7 0.917 118.7 33.2 -56.4 -52.7 34.0 1.7 29.8 798 822 A R H <5S+ 0 0 137 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.937 128.2 34.4 -72.5 -44.2 35.3 -0.6 27.0 799 823 A E H <5S+ 0 0 104 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.506 134.7 14.1 -96.0 -8.2 38.2 1.5 25.7 800 824 A I T <5S+ 0 0 10 -4,-1.9 -3,-0.2 -5,-0.3 -4,-0.1 0.607 127.5 37.6-129.6 -43.8 39.5 3.2 28.9 801 825 A W T