==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGAND BINDING PROTEIN 14-MAY-03 1PB8 . COMPND 2 MOLECULE: N-METHYL-D-ASPARTATE RECEPTOR SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.FURUKAWA,E.GOUAUX . 283 3 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 0 2 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 0 1 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 . 5 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 0 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 4 A T 0 0 145 0, 0.0 71,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -20.8 30.2 55.3 17.2 2 5 A R - 0 0 128 69,-0.1 71,-0.3 1,-0.1 2,-0.1 -0.489 360.0-109.3 -76.7 142.9 27.2 54.6 19.5 3 6 A L E -a 73 0A 9 69,-2.7 71,-2.2 -2,-0.2 2,-0.9 -0.427 20.6-127.8 -72.0 142.9 27.6 52.4 22.5 4 7 A K E -a 74 0A 24 69,-0.2 106,-3.7 -2,-0.1 107,-1.6 -0.834 29.9-164.0 -91.7 108.5 26.0 49.0 22.6 5 8 A I E -ab 75 111A 0 69,-3.0 71,-2.4 -2,-0.9 2,-0.4 -0.827 3.0-162.5 -97.6 129.8 24.1 49.0 25.9 6 9 A V E +ab 76 112A 0 105,-2.3 107,-2.0 -2,-0.5 2,-0.2 -0.909 18.0 160.1-112.4 140.6 22.9 45.6 27.2 7 10 A T E -a 77 0A 1 69,-2.0 71,-2.6 -2,-0.4 2,-0.3 -0.783 24.7-133.6-142.3-172.3 20.2 45.3 29.8 8 11 A I - 0 0 10 105,-0.3 2,-0.4 -2,-0.2 74,-0.0 -0.988 31.0 -95.0-150.2 151.2 17.7 42.8 31.2 9 12 A H + 0 0 73 -2,-0.3 188,-0.2 69,-0.1 189,-0.2 -0.561 60.6 140.5 -69.7 125.2 14.0 42.7 32.1 10 13 A Q B >> -H 14 0B 11 4,-2.5 4,-2.0 -2,-0.4 3,-1.6 -0.465 47.0-112.0-169.6 89.4 13.7 43.4 35.8 11 14 A E T 34 S+ 0 0 52 1,-0.3 211,-0.2 2,-0.2 210,-0.1 -0.404 94.2 18.2 -67.2 145.1 10.8 45.6 37.1 12 15 A P T 34 S+ 0 0 0 0, 0.0 45,-1.9 0, 0.0 -1,-0.3 -0.947 130.5 47.4 -91.1 11.5 10.9 48.3 38.3 13 16 A F T <4 S+ 0 0 1 -3,-1.6 45,-1.7 1,-0.3 46,-0.8 0.883 127.1 14.2 -78.9 -39.9 14.3 49.0 36.9 14 17 A V B < -H 10 0B 0 -4,-2.0 -4,-2.5 44,-0.1 2,-0.3 -0.918 65.9-170.2-142.9 112.6 13.6 47.8 33.4 15 18 A Y E -C 55 0A 27 40,-3.5 40,-1.4 -2,-0.4 2,-0.4 -0.769 9.2-160.5 -95.2 145.7 10.1 47.2 32.0 16 19 A V E +C 54 0A 22 -2,-0.3 38,-0.2 38,-0.2 -5,-0.1 -0.988 17.8 164.4-132.5 120.7 9.9 45.4 28.6 17 20 A K E -C 53 0A 88 36,-2.5 36,-3.4 -2,-0.4 -2,-0.0 -0.932 39.8 -95.8-135.1 157.5 6.7 45.7 26.5 18 21 A P E -C 52 0A 111 0, 0.0 34,-0.2 0, 0.0 2,-0.1 -0.342 42.7-112.6 -69.6 153.5 5.7 45.0 22.9 19 22 A T - 0 0 41 32,-0.5 6,-0.2 1,-0.1 5,-0.1 -0.385 39.6 -95.0 -77.1 165.7 5.7 47.9 20.5 20 23 A M > - 0 0 71 4,-3.3 3,-2.1 1,-0.1 -1,-0.1 -0.206 48.1 -90.4 -71.1 173.8 2.3 49.1 19.1 21 24 A S T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.803 129.0 54.5 -59.0 -28.4 1.3 47.7 15.8 22 25 A D T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.387 120.7-106.0 -87.5 4.3 3.0 50.6 14.0 23 26 A G S < S+ 0 0 40 -3,-2.1 -2,-0.1 1,-0.3 2,-0.1 0.349 83.9 111.8 91.7 -7.6 6.3 50.0 15.7 24 27 A T - 0 0 67 -5,-0.1 -4,-3.3 1,-0.0 2,-0.4 -0.361 69.3-102.9 -92.7 176.6 6.2 52.9 18.1 25 28 A a - 0 0 24 -6,-0.2 -6,-0.1 -2,-0.1 13,-0.1 -0.855 38.6-101.0-106.1 136.3 5.8 52.8 21.9 26 29 A K - 0 0 45 -2,-0.4 2,-0.7 1,-0.1 -1,-0.1 -0.186 36.5-116.1 -52.5 136.9 2.6 53.6 23.8 27 30 A E + 0 0 175 8,-0.1 2,-0.3 10,-0.0 -1,-0.1 -0.683 48.8 162.8 -80.2 115.8 2.5 57.1 25.2 28 31 A E - 0 0 87 -2,-0.7 8,-2.7 8,-0.3 2,-0.3 -0.859 26.3-137.1-129.8 166.8 2.2 56.9 29.0 29 32 A F B -I 35 0C 125 -2,-0.3 5,-0.0 6,-0.3 -2,-0.0 -0.946 15.1-122.1-129.9 148.3 2.8 59.2 31.9 30 33 A T > - 0 0 27 4,-3.0 3,-1.7 -2,-0.3 245,-0.1 -0.117 43.0 -91.4 -75.6 178.0 4.5 58.8 35.3 31 34 A V T 3 S+ 0 0 82 243,-0.3 -1,-0.1 1,-0.3 243,-0.1 0.715 130.1 55.1 -63.8 -20.4 2.9 59.4 38.7 32 35 A N T 3 S- 0 0 92 2,-0.1 -1,-0.3 242,-0.0 242,-0.0 0.506 120.9-109.0 -89.8 -7.4 4.1 63.0 38.4 33 36 A G S < S+ 0 0 46 -3,-1.7 -2,-0.1 1,-0.3 3,-0.1 0.471 75.4 133.3 92.9 2.8 2.3 63.5 35.0 34 37 A D - 0 0 92 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.3 -0.546 67.6 -91.6 -86.2 151.7 5.5 63.5 33.0 35 38 A P B -I 29 0C 86 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.374 40.1-118.8 -62.0 136.3 5.9 61.5 29.8 36 39 A V - 0 0 21 -8,-2.7 2,-0.4 -6,-0.1 -8,-0.3 -0.668 29.8-126.4 -76.0 123.2 7.5 58.1 30.5 37 40 A K - 0 0 106 -2,-0.5 2,-0.4 -10,-0.1 19,-0.4 -0.594 32.2-169.7 -74.2 125.2 10.7 58.0 28.5 38 41 A K - 0 0 48 -2,-0.4 2,-0.3 17,-0.1 17,-0.2 -0.960 9.7-169.5-124.0 137.7 10.8 55.0 26.3 39 42 A V E -D 54 0A 15 15,-2.5 15,-2.9 -2,-0.4 2,-0.4 -0.885 29.7-110.7-121.0 152.2 13.7 53.5 24.3 40 43 A I E -D 53 0A 81 -2,-0.3 35,-0.7 13,-0.2 2,-0.4 -0.688 36.0-175.8 -81.1 130.7 13.7 50.8 21.7 41 44 A b E -De 52 75A 0 11,-2.7 11,-1.7 -2,-0.4 2,-0.3 -0.980 12.8-149.2-131.9 119.2 15.4 47.6 22.9 42 45 A T E +De 51 76A 59 33,-1.8 35,-2.8 -2,-0.4 7,-0.1 -0.653 40.7 113.1 -87.1 142.8 15.9 44.6 20.7 43 46 A G E -D 50 0A 3 7,-1.7 7,-2.4 -2,-0.3 35,-0.1 -0.976 64.5 -43.2 174.3 177.2 15.9 41.2 22.2 44 47 A P E D 49 0A 45 0, 0.0 5,-0.2 0, 0.0 34,-0.0 -0.314 360.0 360.0 -63.9 146.0 14.2 37.8 22.5 45 48 A N 0 0 103 3,-2.2 3,-0.2 7,-0.0 4,-0.0 -0.707 360.0 360.0 -83.3 360.0 10.4 37.8 22.9 46 ! 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 47 56 A R 0 0 127 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-152.2 13.1 32.0 19.8 48 57 A H - 0 0 149 -3,-0.2 -3,-2.2 2,-0.0 2,-0.5 -0.965 360.0-152.2-145.1 124.5 12.5 35.3 18.1 49 58 A T E + D 0 44A 102 -2,-0.3 -7,-0.1 -5,-0.2 30,-0.0 -0.854 30.6 155.5 -99.5 125.5 14.4 38.6 18.5 50 59 A V E - D 0 43A 61 -7,-2.4 -7,-1.7 -2,-0.5 2,-0.2 -0.938 48.0 -83.7-144.4 164.2 12.4 41.7 17.8 51 60 A P E + D 0 42A 75 0, 0.0 -32,-0.5 0, 0.0 2,-0.3 -0.518 52.7 173.5 -71.3 135.0 12.3 45.5 18.7 52 61 A Q E -CD 18 41A 22 -11,-1.7 -11,-2.7 -2,-0.2 2,-0.5 -0.816 33.3-100.0-134.7 173.5 10.5 46.1 22.0 53 62 A a E -CD 17 40A 3 -36,-3.4 -36,-2.5 -2,-0.3 2,-0.4 -0.875 35.0-171.6-103.7 128.3 9.8 49.1 24.3 54 63 A b E +CD 16 39A 0 -15,-2.9 -15,-2.5 -2,-0.5 2,-0.3 -0.938 15.8 145.2-120.9 143.0 12.0 49.5 27.4 55 64 A Y E +C 15 0A 21 -40,-1.4 -40,-3.5 -2,-0.4 2,-0.3 -0.965 17.2 92.1-162.6 168.0 11.5 52.0 30.3 56 65 A G S > S- 0 0 0 -19,-0.4 4,-2.6 -2,-0.3 3,-0.3 -0.798 83.4 -37.2 133.3-174.9 12.0 52.3 34.0 57 66 A F H > S+ 0 0 1 -45,-1.9 4,-1.8 -2,-0.3 -44,-0.2 0.907 134.1 43.7 -50.2 -52.5 14.5 53.4 36.7 58 67 A C H > S+ 0 0 0 -45,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.788 111.6 53.5 -69.5 -27.8 17.6 52.1 34.7 59 68 A I H > S+ 0 0 2 -46,-0.8 4,-2.5 -3,-0.3 -1,-0.2 0.903 108.7 49.1 -73.6 -39.2 16.4 53.5 31.4 60 69 A D H X S+ 0 0 19 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.896 112.3 50.2 -62.6 -38.7 15.9 57.0 32.9 61 70 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.927 108.6 51.3 -64.9 -44.7 19.5 56.6 34.3 62 71 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.928 109.6 50.0 -57.3 -47.1 20.8 55.5 30.9 63 72 A I H X S+ 0 0 44 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.892 111.1 49.4 -60.6 -38.8 19.2 58.6 29.3 64 73 A K H X S+ 0 0 74 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.916 112.5 47.4 -66.3 -43.5 20.8 60.8 32.0 65 74 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.934 110.7 51.3 -63.3 -46.8 24.2 59.3 31.5 66 75 A A H <>S+ 0 0 10 -4,-2.9 5,-2.0 1,-0.2 4,-0.4 0.873 114.1 44.4 -58.9 -39.7 24.0 59.6 27.7 67 76 A R H ><5S+ 0 0 76 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.941 115.8 45.7 -70.4 -48.8 23.1 63.3 28.0 68 77 A T H 3<5S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.883 122.1 36.5 -62.2 -41.5 25.7 64.1 30.6 69 78 A M T 3<5S- 0 0 35 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.386 106.2-126.7 -94.6 1.9 28.5 62.3 28.9 70 79 A N T < 5 + 0 0 145 -3,-0.6 2,-0.3 -4,-0.4 -3,-0.2 0.917 58.0 138.5 54.4 54.2 27.4 63.2 25.4 71 80 A F < - 0 0 24 -5,-2.0 2,-0.2 -6,-0.1 -1,-0.2 -0.927 45.3-136.1-128.5 154.0 27.2 59.7 23.8 72 81 A T - 0 0 70 -2,-0.3 -69,-2.7 -71,-0.2 2,-0.3 -0.670 29.0-176.9-100.8 161.9 24.8 57.9 21.5 73 82 A Y E -a 3 0A 59 -71,-0.3 2,-0.4 -2,-0.2 -69,-0.2 -0.959 28.6-144.6-155.3 170.3 23.6 54.3 22.1 74 83 A E E -a 4 0A 117 -71,-2.2 -69,-3.0 -2,-0.3 2,-0.4 -0.990 26.0-146.4-138.6 128.8 21.6 51.3 21.0 75 84 A V E +ae 5 41A 9 -35,-0.7 -33,-1.8 -2,-0.4 2,-0.3 -0.828 20.5 169.7-106.2 137.1 19.9 49.1 23.6 76 85 A H E -ae 6 42A 39 -71,-2.4 -69,-2.0 -2,-0.4 2,-0.4 -0.977 32.7-115.6-139.6 154.1 19.4 45.3 23.5 77 86 A L E -a 7 0A 16 -35,-2.8 -69,-0.2 -2,-0.3 -71,-0.0 -0.729 47.1 -91.8 -89.2 136.8 18.3 42.7 26.0 78 87 A V > - 0 0 3 -71,-2.6 3,-1.1 -2,-0.4 -69,-0.1 -0.191 34.4-134.5 -48.5 128.0 20.8 40.0 27.0 79 88 A A T 3 S+ 0 0 69 1,-0.2 -1,-0.1 20,-0.1 -2,-0.0 0.851 102.0 40.0 -57.5 -40.8 20.3 37.1 24.6 80 89 A D T 3 S- 0 0 63 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.447 105.3-126.0 -91.2 2.1 20.4 34.3 27.3 81 90 A G < + 0 0 31 -3,-1.1 2,-0.2 1,-0.2 -2,-0.1 0.578 67.3 122.3 67.5 13.6 18.3 36.4 29.7 82 91 A K - 0 0 21 1,-0.1 18,-1.3 114,-0.1 -1,-0.2 -0.680 62.6-139.1-109.6 160.5 20.8 36.0 32.6 83 92 A F - 0 0 5 86,-0.5 18,-1.4 85,-0.4 17,-0.5 0.943 63.8 -90.4 -78.5 -52.1 22.8 38.4 34.7 84 93 A G + 0 0 1 85,-2.6 2,-0.3 15,-0.2 15,-0.2 -0.057 46.7 170.1 137.7 122.9 26.0 36.5 34.7 85 94 A T - 0 0 1 11,-0.1 13,-2.2 -2,-0.0 2,-0.5 -0.906 39.0-107.1-139.8 164.2 28.2 33.8 36.4 86 95 A Q E +J 97 0D 64 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.859 46.7 162.0-100.6 128.3 31.4 32.1 35.2 87 96 A E E -J 96 0D 92 9,-2.6 9,-2.6 -2,-0.5 2,-0.2 -0.960 44.1 -94.9-143.0 160.6 31.1 28.5 34.2 88 97 A R E -J 95 0D 143 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.502 48.0-153.9 -70.6 143.2 32.9 25.8 32.2 89 98 A V > + 0 0 45 5,-2.6 3,-1.9 1,-0.2 5,-0.4 -0.819 58.7 14.8-122.3 161.6 31.6 25.6 28.6 90 99 A N T 3 S- 0 0 151 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.790 121.6 -69.1 49.2 37.5 31.3 23.1 25.8 91 100 A N T 3 S+ 0 0 176 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.845 112.6 108.3 52.2 36.9 32.0 20.2 28.3 92 101 A S S < S- 0 0 45 -3,-1.9 -1,-0.2 2,-0.3 -2,-0.0 -0.560 85.8-104.6-125.0-170.0 35.5 21.4 28.7 93 102 A N S S+ 0 0 129 -2,-0.2 2,-0.3 -5,-0.1 -3,-0.1 0.391 82.3 114.9-100.5 1.3 37.6 23.1 31.4 94 103 A K - 0 0 52 -5,-0.4 -5,-2.6 -4,-0.0 2,-0.4 -0.562 57.5-147.8 -73.1 130.6 37.5 26.4 29.6 95 104 A K E +J 88 0D 111 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.844 22.0 168.5-107.2 138.8 35.5 29.0 31.6 96 105 A E E -J 87 0D 125 -9,-2.6 -9,-2.6 -2,-0.4 2,-0.3 -0.965 33.8-111.7-141.6 155.9 33.4 31.8 30.2 97 106 A W E -J 86 0D 29 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.1 -0.709 29.3-158.8 -90.1 142.0 30.9 34.2 31.6 98 107 A N > + 0 0 23 -13,-2.2 4,-1.9 -2,-0.3 3,-0.5 -0.356 53.6 27.4-103.9-173.6 27.3 34.0 30.6 99 108 A G H > S- 0 0 3 1,-0.2 4,-1.8 2,-0.2 -16,-0.3 -0.091 123.8 -26.8 59.7-155.4 24.6 36.6 30.7 100 109 A M H > S+ 0 0 0 -18,-1.3 4,-2.2 -17,-0.5 -1,-0.2 0.825 137.6 60.9 -63.3 -32.4 25.3 40.3 30.5 101 110 A M H > S+ 0 0 0 -18,-1.4 4,-2.2 -3,-0.5 -1,-0.2 0.941 105.8 46.9 -59.0 -47.9 28.8 39.7 31.9 102 111 A G H X S+ 0 0 13 -4,-1.9 4,-1.9 1,-0.2 6,-0.3 0.896 111.1 50.8 -62.2 -42.4 29.6 37.5 29.0 103 112 A E H X>S+ 0 0 11 -4,-1.8 6,-1.8 2,-0.2 5,-1.3 0.875 110.2 49.6 -65.4 -36.5 28.3 40.0 26.4 104 113 A L H <5S+ 0 0 0 -4,-2.2 3,-0.4 4,-0.2 -2,-0.2 0.933 113.1 46.3 -67.4 -44.6 30.3 42.8 27.9 105 114 A L H <5S+ 0 0 67 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.801 113.5 49.1 -68.2 -28.9 33.5 40.8 27.9 106 115 A S H <5S- 0 0 73 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.649 114.8-112.1 -85.2 -16.9 32.9 39.5 24.3 107 116 A G T <5S+ 0 0 40 -4,-1.1 -3,-0.2 -3,-0.4 -4,-0.1 0.416 87.3 118.2 100.0 -2.3 32.2 43.0 22.9 108 117 A Q S - 0 0 25 -2,-0.6 4,-1.9 120,-0.1 5,-0.1 -0.947 52.7-110.0-141.5 164.4 30.6 41.6 43.7 120 129 A T H > S+ 0 0 98 -2,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.871 112.3 56.2 -62.6 -40.6 34.2 40.6 44.0 121 130 A E H >4 S+ 0 0 72 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.934 112.5 41.4 -58.5 -48.7 34.1 37.8 41.4 122 131 A R H >> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 3,-1.8 0.864 107.1 62.4 -67.9 -36.9 32.8 40.1 38.7 123 132 A A H 3< S+ 0 0 43 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.662 92.8 66.2 -64.5 -15.4 35.1 42.9 39.7 124 133 A Q T << S+ 0 0 115 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.716 115.8 26.5 -76.7 -20.0 38.0 40.5 38.8 125 134 A Y T <4 S+ 0 0 92 -3,-1.8 122,-0.6 -4,-0.3 2,-0.2 0.687 127.2 23.2-114.2 -28.3 36.9 40.7 35.2 126 135 A I E < S-G 246 0A 2 -4,-2.4 2,-0.4 120,-0.2 120,-0.2 -0.790 73.8-110.8-132.3 176.8 35.1 44.0 34.6 127 136 A E E -G 245 0A 27 118,-3.1 118,-2.6 -2,-0.2 2,-0.3 -0.895 25.3-155.5-113.6 142.1 35.0 47.4 36.2 128 137 A F E -G 244 0A 39 -2,-0.4 116,-0.2 116,-0.2 2,-0.1 -0.859 13.9-128.2-115.0 151.5 32.0 48.9 38.0 129 138 A S - 0 0 5 114,-1.8 3,-0.1 -2,-0.3 124,-0.1 -0.306 51.9 -77.7 -80.3 175.5 30.9 52.4 38.6 130 139 A K S S- 0 0 147 1,-0.2 113,-0.4 112,-0.1 -1,-0.2 -0.395 74.4 -72.1 -67.3 159.3 30.3 53.4 42.2 131 140 A P - 0 0 30 0, 0.0 111,-0.2 0, 0.0 -1,-0.2 -0.260 37.9-168.0 -57.5 135.4 26.8 52.1 43.3 132 141 A F S S+ 0 0 2 109,-2.8 2,-0.3 1,-0.3 110,-0.1 0.583 82.6 26.7 -96.0 -12.2 23.9 53.9 41.8 133 142 A K E S-L 241 0E 26 108,-1.0 108,-2.2 2,-0.0 2,-0.5 -0.982 71.2-146.0-150.3 135.0 21.6 52.1 44.3 134 143 A Y E +L 240 0E 162 -2,-0.3 106,-0.2 106,-0.2 2,-0.2 -0.900 45.2 119.7-103.7 123.8 22.3 50.7 47.7 135 144 A Q E -L 239 0E 15 104,-2.4 104,-2.1 -2,-0.5 2,-0.3 -0.590 34.4-157.3-152.0-146.5 20.4 47.5 48.6 136 145 A G E -L 238 0E 0 102,-0.3 80,-3.0 -2,-0.2 81,-0.4 -0.905 33.8 -54.5-176.9-155.2 20.8 43.9 49.6 137 146 A L E +LM 237 215E 5 100,-2.1 99,-1.7 -2,-0.3 100,-0.6 -0.896 48.9 154.4-115.3 143.2 19.3 40.5 49.7 138 147 A T E - M 0 214E 0 76,-2.5 76,-1.9 -2,-0.4 2,-0.4 -0.821 36.7-100.8-148.3-172.8 16.0 39.4 51.3 139 148 A I E - M 0 213E 0 -2,-0.2 93,-1.6 74,-0.2 2,-0.5 -0.979 19.0-151.6-128.0 135.0 13.3 36.7 51.0 140 149 A L E +NM 231 212E 0 72,-2.9 72,-2.3 -2,-0.4 2,-0.3 -0.882 24.7 162.9-105.4 130.0 9.9 36.8 49.3 141 150 A V E -N 230 0E 3 89,-2.7 89,-2.5 -2,-0.5 2,-0.2 -0.903 43.8 -89.5-139.3 166.9 7.1 34.6 50.5 142 151 A K E > -N 229 0E 52 68,-0.5 3,-2.4 -2,-0.3 87,-0.3 -0.554 59.4 -90.8 -76.6 141.9 3.3 34.4 50.2 143 152 A K T 3 S+ 0 0 149 85,-3.0 -1,-0.1 1,-0.3 3,-0.1 -0.318 117.3 33.5 -53.8 129.3 1.5 36.4 52.9 144 153 A G T 3 S+ 0 0 73 1,-0.4 2,-0.3 -3,-0.1 -1,-0.3 -0.051 83.3 123.0 112.5 -32.2 0.9 34.0 55.8 145 154 A T < - 0 0 42 -3,-2.4 2,-0.9 1,-0.1 -1,-0.4 -0.491 57.9-139.7 -65.8 126.3 4.1 32.0 55.4 146 155 A R + 0 0 72 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.783 38.7 149.6 -97.2 101.3 6.1 32.2 58.7 147 156 A I - 0 0 24 -2,-0.9 3,-0.1 1,-0.1 -8,-0.1 -0.996 34.8-157.9-130.6 133.7 9.8 32.5 58.1 148 157 A T - 0 0 107 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.883 58.6 -89.1 -76.6 -40.0 12.2 34.4 60.4 149 158 A G S > S- 0 0 11 84,-0.1 3,-1.8 -11,-0.0 -1,-0.3 -0.980 72.3 -26.3 162.5-153.7 14.8 35.0 57.7 150 159 A I T 3 S+ 0 0 20 -2,-0.3 -12,-0.0 1,-0.3 63,-0.0 0.648 132.3 56.1 -65.7 -13.8 17.8 33.4 56.1 151 160 A N T 3 S+ 0 0 108 4,-0.1 -1,-0.3 5,-0.0 5,-0.0 0.321 76.2 130.3-100.8 7.0 18.4 31.5 59.4 152 161 A D X> - 0 0 13 -3,-1.8 3,-2.4 1,-0.1 4,-2.4 -0.363 65.9-124.5 -64.4 137.3 15.0 29.8 59.5 153 162 A P H 3> S+ 0 0 91 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.778 109.5 62.1 -52.2 -31.6 15.1 26.1 60.2 154 163 A R H 34 S+ 0 0 104 1,-0.2 5,-0.4 2,-0.2 8,-0.1 0.591 113.3 36.3 -74.3 -7.7 13.0 25.4 57.0 155 164 A L H <4 S+ 0 0 0 -3,-2.4 -1,-0.2 3,-0.1 33,-0.1 0.723 120.5 45.3-107.5 -39.2 15.9 26.9 55.0 156 165 A R H < S+ 0 0 92 -4,-2.4 -2,-0.2 1,-0.3 28,-0.1 0.725 119.7 42.1 -77.7 -23.0 18.8 25.6 57.1 157 166 A N S < S- 0 0 126 -4,-2.3 -1,-0.3 -5,-0.3 28,-0.0 -0.607 95.9-150.7-123.4 67.0 17.3 22.1 57.3 158 167 A P + 0 0 34 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.014 21.7 171.5 -42.7 135.5 16.1 21.7 53.7 159 168 A S B > -P 162 0F 63 3,-0.6 3,-1.1 -5,-0.4 -2,-0.0 -0.987 46.2-118.9-148.1 151.6 13.1 19.5 53.0 160 169 A D T 3 S+ 0 0 89 -2,-0.3 3,-0.2 1,-0.2 -1,-0.0 0.555 110.2 70.5 -67.8 -5.9 10.9 18.8 49.9 161 170 A K T 3 S+ 0 0 78 1,-0.3 2,-0.5 -7,-0.0 -1,-0.2 0.837 104.5 35.9 -79.3 -35.1 8.0 20.1 52.0 162 171 A F B < S-P 159 0F 11 -3,-1.1 -3,-0.6 -8,-0.1 2,-0.4 -0.892 79.9-164.4-124.0 100.1 9.3 23.7 51.9 163 172 A I + 0 0 36 -2,-0.5 47,-1.8 -3,-0.2 48,-1.4 -0.696 12.4 170.9 -90.5 131.5 10.9 24.6 48.5 164 173 A Y E +o 211 0E 0 -2,-0.4 2,-0.3 46,-0.2 48,-0.2 -0.942 5.0 151.4-134.7 156.2 13.0 27.7 48.1 165 174 A A E -o 212 0E 0 46,-1.9 48,-2.5 -2,-0.3 2,-0.2 -0.959 25.6-142.6-166.2-179.5 15.2 29.0 45.3 166 175 A T - 0 0 2 -2,-0.3 28,-2.4 23,-0.2 2,-0.4 -0.609 46.8 -64.5-138.0-162.5 16.8 31.9 43.5 167 176 A V B > -q 194 0G 4 46,-0.3 3,-0.7 26,-0.2 6,-0.4 -0.811 52.0-112.2 -99.1 136.2 17.5 32.8 39.8 168 177 A K T 3 S+ 0 0 77 26,-3.1 -85,-0.4 -2,-0.4 -84,-0.2 -0.261 95.1 13.1 -62.1 149.6 20.0 30.7 37.8 169 178 A Q T 3 S+ 0 0 40 1,-0.2 -85,-2.6 -87,-0.1 -86,-0.5 0.866 99.7 123.7 50.3 46.3 23.3 32.3 36.8 170 179 A S S <> S- 0 0 0 -3,-0.7 4,-1.5 -87,-0.2 -1,-0.2 -0.769 78.6-102.7-125.6 171.5 22.9 35.3 39.1 171 180 A S H > S+ 0 0 10 114,-2.6 4,-2.2 -2,-0.2 5,-0.1 0.804 120.8 58.4 -66.9 -27.7 25.0 36.9 41.8 172 181 A V H > S+ 0 0 0 113,-0.2 4,-1.6 2,-0.2 5,-0.2 0.907 101.2 54.7 -68.1 -39.8 22.7 35.3 44.4 173 182 A D H > S+ 0 0 18 -6,-0.4 4,-2.1 1,-0.2 3,-0.3 0.941 112.6 43.8 -56.4 -46.9 23.4 31.9 43.0 174 183 A I H X S+ 0 0 37 -4,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.835 102.9 65.3 -67.7 -36.1 27.2 32.6 43.5 175 184 A Y H < S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.901 113.5 33.9 -53.7 -42.8 26.7 34.1 47.0 176 185 A F H >< S+ 0 0 2 -4,-1.6 3,-1.1 -3,-0.3 6,-0.3 0.841 115.4 56.5 -81.9 -36.0 25.5 30.7 48.2 177 186 A R H 3< S+ 0 0 43 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.851 104.3 53.9 -64.5 -36.1 27.8 28.7 46.0 178 187 A R T 3< S+ 0 0 70 -4,-2.8 2,-0.3 -5,-0.1 -1,-0.3 -0.083 97.2 77.2 -92.2 35.1 30.9 30.4 47.3 179 188 A Q X - 0 0 69 -3,-1.1 3,-2.5 1,-0.1 7,-0.2 -0.825 57.4-163.4-148.9 105.3 30.2 29.7 51.0 180 189 A V G > S+ 0 0 88 -2,-0.3 3,-2.1 1,-0.3 4,-0.3 0.842 94.0 64.3 -53.4 -36.9 30.7 26.3 52.6 181 190 A E G 3 S+ 0 0 87 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.635 106.4 45.2 -63.7 -12.8 28.5 27.4 55.5 182 191 A L G <> S+ 0 0 9 -3,-2.5 4,-3.0 -6,-0.3 -1,-0.3 0.114 77.8 112.7-116.8 19.3 25.7 27.6 52.9 183 192 A S H <> S+ 0 0 64 -3,-2.1 4,-2.6 1,-0.2 5,-0.2 0.904 77.0 50.6 -58.1 -46.3 26.4 24.2 51.2 184 193 A T H > S+ 0 0 90 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.898 114.7 43.8 -60.7 -42.1 23.2 22.6 52.4 185 194 A M H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 3,-0.5 0.929 112.3 52.2 -68.5 -46.4 21.1 25.5 51.2 186 195 A Y H X S+ 0 0 83 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.905 106.7 53.6 -56.1 -44.9 23.0 25.8 47.9 187 196 A R H < S+ 0 0 66 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.818 110.2 48.8 -61.3 -31.8 22.4 22.1 47.2 188 197 A H H >< S+ 0 0 24 -4,-1.1 3,-1.1 -3,-0.5 -2,-0.2 0.936 111.7 45.2 -74.8 -49.0 18.7 22.5 47.7 189 198 A M H >X S+ 0 0 3 -4,-2.3 3,-2.4 1,-0.2 4,-2.3 0.817 97.9 74.3 -64.9 -30.6 18.2 25.6 45.5 190 199 A E T 3< S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.795 99.0 46.6 -52.7 -30.5 20.3 24.0 42.7 191 200 A K T <4 S+ 0 0 79 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.454 122.4 34.0 -92.8 -0.8 17.3 21.7 42.0 192 201 A H T <4 S+ 0 0 61 -3,-2.4 -2,-0.2 -4,-0.2 -1,-0.1 0.478 78.4 133.5-131.0 -6.3 14.7 24.5 42.1 193 202 A N < - 0 0 19 -4,-2.3 -26,-0.2 -26,-0.1 2,-0.2 -0.107 45.9-133.8 -53.1 145.3 16.3 27.6 40.6 194 203 A Y B -q 167 0G 56 -28,-2.4 -26,-3.1 1,-0.1 -1,-0.1 -0.584 12.4-125.3-100.5 162.4 14.3 29.6 38.1 195 204 A E S S+ 0 0 69 -2,-0.2 2,-0.3 -28,-0.2 -28,-0.1 0.732 92.0 12.8 -76.6 -25.0 15.4 31.1 34.7 196 205 A S S > S- 0 0 36 1,-0.1 4,-1.7 -30,-0.1 -1,-0.2 -0.987 70.3-117.7-150.9 158.4 14.1 34.6 35.7 197 206 A A H > S+ 0 0 4 -2,-0.3 4,-2.7 -188,-0.2 5,-0.2 0.906 112.6 58.4 -63.0 -42.1 13.0 36.6 38.6 198 207 A A H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 106.7 47.1 -55.4 -44.7 9.5 37.1 37.1 199 208 A E H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 112.2 49.8 -66.4 -38.9 8.9 33.4 36.9 200 209 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.919 110.9 49.3 -65.6 -43.6 10.1 32.8 40.5 201 210 A I H X S+ 0 0 5 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.913 110.9 50.1 -61.8 -42.6 7.8 35.6 41.8 202 211 A Q H X S+ 0 0 88 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.893 107.5 55.4 -63.0 -38.6 4.9 34.1 39.9 203 212 A A H <>S+ 0 0 7 -4,-2.1 5,-3.0 2,-0.2 6,-1.5 0.870 106.5 49.4 -62.3 -38.9 5.7 30.7 41.4 204 213 A V H ><5S+ 0 0 1 -4,-1.8 3,-1.3 4,-0.2 -1,-0.2 0.934 111.7 49.7 -65.4 -43.6 5.5 32.1 44.9 205 214 A R H 3<5S+ 0 0 47 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.864 112.2 47.2 -61.7 -37.3 2.2 33.7 44.1 206 215 A D T 3<5S- 0 0 75 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.336 115.1-116.0 -87.5 6.0 0.9 30.4 42.6 207 216 A N T < 5S+ 0 0 108 -3,-1.3 -3,-0.2 2,-0.3 3,-0.1 0.759 87.8 113.4 65.9 26.2 2.1 28.5 45.7 208 217 A K S -M 137 0E 0 -2,-0.3 4,-3.0 -78,-0.2 3,-0.5 -0.341 42.7-142.8 -59.1 130.5 17.6 41.5 45.5 216 225 A S H > S+ 0 0 4 -80,-3.0 4,-2.7 1,-0.2 5,-0.4 0.828 98.7 62.4 -65.5 -33.0 15.7 43.5 48.1 217 226 A A H > S+ 0 0 15 -81,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.888 115.0 34.2 -60.9 -35.6 15.4 46.5 45.7 218 227 A V H > S+ 0 0 1 -3,-0.5 4,-2.6 2,-0.1 -2,-0.2 0.914 119.8 48.4 -83.7 -48.0 13.3 44.2 43.5 219 228 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.868 109.7 50.9 -63.7 -39.5 11.5 42.1 46.1 220 229 A E H X S+ 0 0 62 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.864 112.2 48.5 -68.1 -32.3 10.4 45.0 48.3 221 230 A F H X S+ 0 0 10 -4,-0.6 4,-1.0 -5,-0.4 -2,-0.2 0.958 113.7 45.9 -68.4 -50.3 8.9 46.7 45.2 222 231 A E H >X S+ 0 0 13 -4,-2.6 4,-1.2 1,-0.2 3,-0.9 0.929 114.6 47.5 -57.0 -47.9 7.1 43.5 44.1 223 232 A A H 3< S+ 0 0 13 -4,-2.9 6,-0.3 1,-0.2 -1,-0.2 0.834 110.1 53.5 -64.6 -32.1 5.9 42.8 47.6 224 233 A S H 3< S+ 0 0 69 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.647 112.1 44.4 -78.2 -13.3 4.7 46.5 47.9 225 234 A Q H << S+ 0 0 10 -4,-1.0 58,-2.8 -3,-0.9 57,-2.1 0.578 113.1 52.2-103.1 -14.0 2.7 46.2 44.7 226 235 A K >< - 0 0 35 -4,-1.2 3,-2.0 55,-0.2 -1,-0.2 -0.944 66.2-160.7-127.7 107.7 1.1 42.8 45.4 227 236 A c T 3 S+ 0 0 81 -2,-0.5 -1,-0.1 56,-0.4 -4,-0.1 0.506 89.3 63.7 -69.8 -0.6 -0.6 42.5 48.8 228 237 A D T 3 S+ 0 0 37 -86,-0.1 -85,-3.0 -84,-0.0 2,-0.4 0.468 98.8 67.5 -96.9 -4.9 -0.5 38.7 48.7 229 238 A L E < +N 142 0E 3 -3,-2.0 2,-0.3 -6,-0.3 -87,-0.2 -0.930 59.5 170.8-120.2 141.1 3.3 38.8 48.7 230 239 A V E -N 141 0E 56 -89,-2.5 -89,-2.7 -2,-0.4 2,-0.3 -0.910 23.7-129.6-140.3 165.2 5.6 40.0 51.5 231 240 A T E -N 140 0E 37 -2,-0.3 -91,-0.2 -91,-0.2 3,-0.1 -0.776 29.7-110.9-113.1 163.8 9.3 40.0 52.4 232 241 A T - 0 0 30 -93,-1.6 2,-0.6 -2,-0.3 -92,-0.1 0.272 52.3-126.8 -78.5 11.5 11.0 38.8 55.6 233 242 A G S S+ 0 0 39 -94,-0.2 -1,-0.2 -84,-0.0 -84,-0.1 -0.720 75.8 57.8 91.6-117.6 12.0 42.3 56.6 234 243 A E S S- 0 0 91 -2,-0.6 2,-0.1 1,-0.1 -2,-0.1 -0.296 83.6-114.1 -59.9 135.2 15.7 43.1 57.5 235 244 A L - 0 0 70 1,-0.1 -97,-0.2 -97,-0.1 -1,-0.1 -0.415 14.7-153.9 -69.5 142.5 18.2 42.4 54.7 236 245 A F S S+ 0 0 49 -99,-1.7 2,-0.3 1,-0.2 -1,-0.1 0.423 79.8 20.4 -98.4 1.0 20.7 39.6 55.5 237 246 A F E S- L 0 137E 89 -100,-0.6 -100,-2.1 2,-0.1 2,-0.4 -0.946 72.0-136.4-164.5 144.9 23.4 41.0 53.2 238 247 A R E + L 0 136E 75 -2,-0.3 -102,-0.3 -102,-0.3 2,-0.3 -0.889 30.4 152.7-112.6 140.3 24.1 44.4 51.7 239 248 A S E - L 0 135E 17 -104,-2.1 -104,-2.4 -2,-0.4 2,-0.3 -0.981 28.5-132.6-157.3 157.1 25.2 45.0 48.1 240 249 A G E - L 0 134E 11 -122,-0.4 -122,-2.6 -2,-0.3 2,-0.4 -0.756 15.0-125.0-115.5 162.4 25.0 47.8 45.5 241 250 A F E +KL 117 133E 0 -108,-2.2 -109,-2.8 -2,-0.3 -108,-1.0 -0.871 35.9 177.7-101.5 137.8 24.0 48.0 41.9 242 251 A G - 0 0 0 -126,-2.5 -126,-0.4 -2,-0.4 2,-0.3 -0.921 35.0-100.5-139.0 165.3 26.5 49.5 39.5 243 252 A I - 0 0 0 -113,-0.4 -114,-1.8 -2,-0.3 2,-0.4 -0.667 42.0-138.8 -81.0 138.2 27.1 50.2 35.8 244 253 A G E +FG 112 128A 0 -132,-1.9 -132,-2.7 -2,-0.3 2,-0.3 -0.863 29.3 161.3-107.8 137.5 29.4 47.6 34.2 245 254 A M E - G 0 127A 0 -118,-2.6 -118,-3.1 -2,-0.4 -134,-0.1 -0.939 44.2 -91.2-143.3 160.9 32.2 48.3 31.7 246 255 A R E > - G 0 126A 79 -136,-0.5 3,-0.9 -2,-0.3 6,-0.2 -0.385 59.8 -86.0 -70.3 156.0 35.2 46.5 30.5 247 256 A K T 3 S+ 0 0 104 -122,-0.6 -1,-0.1 1,-0.2 -120,-0.0 -0.296 114.2 21.8 -62.6 149.4 38.4 47.2 32.4 248 257 A D T 3 S+ 0 0 170 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.821 89.2 165.1 62.0 33.1 40.4 50.2 31.3 249 258 A S < - 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