==== 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 MEMBRANE PROTEIN 14-JAN-07 2OJT . COMPND 2 MOLECULE: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.L.MAYER . 504 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 11.5 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 . 4 0.8 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-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 . 34 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 5 1 0 2 4 0 4 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 PARALLEL BRIDGES PER LADDER . 8 2 4 4 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 . 2 2 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 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 R 0 0 105 0, 0.0 2,-0.7 0, 0.0 46,-0.7 0.000 360.0 360.0 360.0 122.3 -30.5 13.3 15.6 2 5 A T E -a 47 0A 62 44,-0.1 46,-0.3 46,-0.0 2,-0.3 -0.854 360.0-129.8 -89.0 120.2 -27.2 13.5 17.4 3 6 A L E -a 48 0A 0 44,-2.9 46,-2.8 -2,-0.7 2,-0.6 -0.521 9.8-137.1 -74.2 135.5 -25.3 10.5 16.2 4 7 A I E -a 49 0A 32 -2,-0.3 76,-3.0 44,-0.2 77,-1.8 -0.830 20.8-160.3 -91.4 123.8 -23.7 8.3 18.8 5 8 A V E -ab 50 81A 1 44,-2.9 46,-3.2 -2,-0.6 2,-0.3 -0.923 2.6-154.7-113.3 119.4 -20.2 7.4 17.8 6 9 A T E +ab 51 82A 4 75,-2.8 77,-2.0 -2,-0.6 2,-0.3 -0.677 27.5 151.6 -89.4 144.1 -18.5 4.4 19.3 7 10 A T E -a 52 0A 3 44,-1.2 46,-2.8 -2,-0.3 2,-0.3 -0.906 32.4-124.7-157.0-176.3 -14.7 4.4 19.4 8 11 A I - 0 0 12 75,-0.3 2,-0.4 -2,-0.3 44,-0.0 -0.994 29.2-103.4-144.8 142.4 -11.8 3.0 21.3 9 12 A L + 0 0 81 -2,-0.3 2,-0.2 44,-0.1 6,-0.2 -0.553 59.4 143.0 -66.5 122.0 -8.7 4.5 23.0 10 13 A E B >> -E 14 0B 64 4,-2.3 4,-2.3 -2,-0.4 3,-1.6 -0.769 50.7 -88.9-166.1 114.3 -5.8 3.8 20.7 11 14 A E T 34 S+ 0 0 116 1,-0.3 4,-0.1 -2,-0.2 20,-0.1 -0.499 103.7 2.4 -75.7 137.6 -2.8 6.0 19.9 12 15 A P T 34 S+ 0 0 2 0, 0.0 20,-2.4 0, 0.0 -1,-0.3 -0.840 127.5 60.5 -98.1 24.1 -2.7 8.1 17.7 13 16 A Y T <4 S+ 0 0 3 -3,-1.6 20,-1.8 1,-0.3 21,-0.9 0.897 119.8 5.4 -76.0 -43.1 -6.3 7.5 16.6 14 17 A V B < S+E 10 0B 1 -4,-2.3 -4,-2.3 19,-0.1 2,-0.3 -0.954 74.3 152.0-150.4 119.3 -8.1 8.4 19.8 15 18 A M E -F 30 0C 37 15,-2.3 15,-2.4 -2,-0.3 2,-0.3 -0.970 48.4-101.8-143.4 157.6 -6.6 9.8 23.0 16 19 A Y E -F 29 0C 127 -2,-0.3 13,-0.3 13,-0.2 2,-0.1 -0.631 51.4-106.9 -75.9 140.1 -7.6 11.9 25.9 17 20 A R - 0 0 129 11,-2.3 2,-2.0 -2,-0.3 -1,-0.1 -0.431 26.1-117.2 -68.0 145.8 -6.2 15.5 25.3 18 21 A K S S+ 0 0 216 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.575 78.2 107.0 -84.3 77.2 -3.3 16.3 27.6 19 22 A S - 0 0 50 -2,-2.0 4,-0.1 9,-0.1 -2,-0.1 -0.991 58.6-158.8-154.1 146.6 -5.2 19.1 29.3 20 23 A D + 0 0 176 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.169 60.4 124.4-107.1 12.5 -6.9 20.1 32.6 21 24 A K S S- 0 0 156 1,-0.1 2,-1.5 0, 0.0 -2,-0.1 -0.294 83.5 -87.9 -63.7 157.5 -8.9 22.8 30.8 22 25 A P + 0 0 100 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.588 67.8 158.9 -73.4 89.6 -12.7 22.6 31.1 23 26 A L - 0 0 50 -2,-1.5 2,-0.3 -4,-0.1 -4,-0.0 -0.973 14.7-177.6-118.2 129.5 -13.3 20.4 28.1 24 27 A Y > - 0 0 173 -2,-0.4 3,-1.9 4,-0.0 4,-0.1 -0.834 45.0 -10.0-125.6 164.4 -16.5 18.4 27.8 25 28 A G G > S- 0 0 28 -2,-0.3 3,-1.6 1,-0.3 4,-0.2 -0.212 131.5 -1.7 54.4-132.5 -18.1 15.9 25.5 26 29 A N G > S+ 0 0 37 1,-0.3 3,-1.6 22,-0.2 -1,-0.3 0.743 124.0 73.4 -62.4 -23.2 -16.2 15.5 22.2 27 30 A D G < S+ 0 0 104 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.610 80.6 72.6 -69.5 -12.0 -13.7 18.1 23.3 28 31 A R G < S+ 0 0 94 -3,-1.6 -11,-2.3 -4,-0.1 2,-0.3 0.618 96.1 61.4 -76.0 -14.1 -12.1 15.7 25.8 29 32 A F E < +F 16 0C 10 -3,-1.6 2,-0.3 -13,-0.3 -13,-0.2 -0.777 55.0 175.3-116.8 161.8 -10.6 13.7 22.9 30 33 A E E +F 15 0C 45 -15,-2.4 -15,-2.3 -2,-0.3 2,-0.2 -0.939 26.4 96.7-150.5 168.5 -8.1 14.3 20.1 31 34 A G S > S- 0 0 0 -2,-0.3 4,-2.4 -17,-0.2 -18,-0.3 -0.710 80.7 -58.2 135.1 173.0 -6.5 12.1 17.4 32 35 A Y H > S+ 0 0 2 -20,-2.4 4,-2.6 1,-0.2 -19,-0.2 0.902 131.0 48.2 -52.8 -45.2 -6.7 11.0 13.8 33 36 A C H > S+ 0 0 2 -20,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.838 109.5 52.3 -72.1 -30.8 -10.2 9.6 14.2 34 37 A L H > S+ 0 0 17 -21,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.899 111.6 47.1 -68.1 -41.6 -11.4 12.7 16.0 35 38 A D H X S+ 0 0 38 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.896 112.8 49.6 -64.5 -42.3 -10.1 14.8 13.1 36 39 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.938 110.3 50.5 -59.3 -46.8 -11.7 12.5 10.6 37 40 A L H X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.897 108.0 52.3 -61.3 -43.0 -15.0 12.6 12.5 38 41 A K H X S+ 0 0 106 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.927 111.6 47.2 -57.1 -44.5 -15.0 16.5 12.5 39 42 A E H X S+ 0 0 51 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.906 113.5 47.5 -64.0 -41.8 -14.4 16.5 8.7 40 43 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.927 109.7 53.4 -64.0 -44.8 -17.2 14.0 8.2 41 44 A S H X>S+ 0 0 14 -4,-3.0 5,-1.2 1,-0.2 4,-1.0 0.763 111.7 46.3 -61.1 -30.9 -19.5 16.0 10.4 42 45 A N H <5S+ 0 0 96 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.805 114.4 45.4 -79.8 -36.0 -18.9 19.1 8.4 43 46 A I H <5S+ 0 0 57 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.927 125.9 30.4 -72.0 -45.2 -19.3 17.4 5.0 44 47 A L H <5S- 0 0 45 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.731 103.5-126.6 -86.4 -28.1 -22.5 15.5 5.9 45 48 A G T <5 + 0 0 65 -4,-1.0 2,-0.3 -5,-0.4 -3,-0.2 0.955 53.9 143.0 80.2 55.0 -23.9 18.0 8.4 46 49 A F < - 0 0 13 -5,-1.2 2,-0.3 -6,-0.1 -1,-0.2 -0.931 45.5-134.1-125.6 153.1 -24.5 15.9 11.5 47 50 A L E -a 2 0A 121 -46,-0.7 -44,-2.9 -2,-0.3 2,-0.3 -0.720 32.5-173.5 -92.9 154.4 -24.1 16.4 15.2 48 51 A Y E -a 3 0A 35 -2,-0.3 2,-0.4 -46,-0.3 -44,-0.2 -0.987 25.0-150.8-151.4 158.5 -22.4 13.6 17.1 49 52 A D E -a 4 0A 68 -46,-2.8 -44,-2.9 -2,-0.3 2,-0.4 -0.984 22.5-138.9-132.8 119.5 -21.5 12.4 20.6 50 53 A V E -a 5 0A 2 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.634 22.0-179.0 -83.9 127.8 -18.4 10.3 21.1 51 54 A K E -a 6 0A 86 -46,-3.2 -44,-1.2 -2,-0.4 2,-0.0 -0.961 25.3-130.4-129.4 119.4 -18.7 7.4 23.5 52 55 A L E -a 7 0A 39 -2,-0.4 -44,-0.2 -46,-0.2 -46,-0.1 -0.370 41.2 -98.5 -63.0 139.4 -15.8 5.1 24.3 53 56 A V > - 0 0 9 -46,-2.8 3,-1.6 1,-0.1 -44,-0.1 -0.413 31.7-134.4 -63.8 127.8 -16.9 1.4 23.9 54 57 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.830 101.3 43.2 -58.5 -35.7 -17.7 0.2 27.4 55 58 A D T 3 S- 0 0 76 2,-0.1 3,-0.1 14,-0.0 -2,-0.1 0.442 103.5-128.1 -89.7 2.2 -15.8 -3.1 27.2 56 59 A G < + 0 0 45 -3,-1.6 2,-0.3 1,-0.2 -48,-0.1 0.719 65.0 126.4 60.2 25.7 -12.8 -1.6 25.5 57 60 A K - 0 0 114 1,-0.1 13,-1.2 3,-0.0 -1,-0.2 -0.824 60.6-139.2-117.1 154.7 -12.9 -4.2 22.6 58 61 A Y - 0 0 33 -2,-0.3 13,-1.3 11,-0.3 12,-0.7 0.961 65.6 -78.1 -72.2 -53.4 -12.9 -3.9 18.8 59 62 A G + 0 0 8 10,-0.2 2,-0.3 11,-0.2 10,-0.2 -0.050 55.7 164.6 145.3 108.8 -15.4 -6.6 18.1 60 63 A A - 0 0 56 -2,-0.1 8,-1.3 6,-0.0 2,-0.3 -0.926 28.3-117.6-138.9 163.7 -15.3 -10.4 18.0 61 64 A Q B -G 67 0D 98 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.725 15.8-155.8-106.3 145.7 -17.7 -13.3 18.1 62 65 A N > - 0 0 74 4,-2.0 3,-1.5 -2,-0.3 -1,-0.0 -0.515 42.3 -88.1-104.9-175.5 -18.3 -16.2 20.5 63 66 A D T 3 S+ 0 0 176 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.816 125.2 57.0 -68.6 -32.0 -19.9 -19.5 19.8 64 67 A K T 3 S- 0 0 128 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.529 123.7-106.6 -72.1 -2.3 -23.5 -18.5 20.5 65 68 A G S < S+ 0 0 27 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.799 71.1 154.0 79.6 30.0 -22.8 -16.0 17.7 66 69 A E - 0 0 65 1,-0.0 -4,-2.0 0, 0.0 -1,-0.3 -0.785 29.5-150.3 -96.6 133.4 -22.6 -13.2 20.4 67 70 A W B -G 61 0D 24 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.2 -0.633 12.0-171.8-102.2 161.8 -20.6 -10.2 19.6 68 71 A N > + 0 0 48 -8,-1.3 4,-1.6 -2,-0.2 3,-0.4 -0.620 45.1 34.9-131.2-170.7 -18.7 -7.8 21.8 69 72 A G H > S- 0 0 0 1,-0.2 4,-1.4 2,-0.2 -11,-0.3 -0.064 115.3 -27.6 64.8-159.5 -16.9 -4.4 21.3 70 73 A M H > S+ 0 0 0 -13,-1.2 4,-1.9 -12,-0.7 -1,-0.2 0.829 135.5 62.0 -60.9 -33.5 -17.8 -1.6 19.0 71 74 A V H > S+ 0 0 0 -13,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.928 103.6 48.0 -58.9 -46.2 -19.4 -4.2 16.6 72 75 A K H X S+ 0 0 40 -4,-1.6 4,-2.3 1,-0.2 6,-0.2 0.857 106.1 58.3 -64.3 -34.1 -21.9 -5.1 19.4 73 76 A E H <>S+ 0 0 13 -4,-1.4 5,-2.5 2,-0.2 6,-1.2 0.919 110.6 42.9 -61.6 -41.9 -22.7 -1.4 20.0 74 77 A L H ><5S+ 0 0 0 -4,-1.9 3,-1.6 3,-0.2 -2,-0.2 0.927 111.2 53.5 -69.0 -47.5 -23.7 -1.1 16.4 75 78 A I H 3<5S+ 0 0 39 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.889 112.2 46.9 -51.0 -41.5 -25.7 -4.4 16.3 76 79 A D T 3<5S- 0 0 33 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.421 111.6-121.0 -84.7 0.8 -27.6 -3.2 19.4 77 80 A H T < 5S+ 0 0 61 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.785 79.2 123.9 63.5 26.8 -28.3 0.3 17.9 78 81 A R S - 0 0 46 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.921 46.4-116.0-132.4 156.2 -13.7 -8.1 7.4 90 93 A Y H > S+ 0 0 186 -2,-0.3 4,-0.5 1,-0.2 -1,-0.1 0.915 114.2 48.0 -52.5 -49.1 -15.9 -10.8 5.9 91 94 A V H >4 S+ 0 0 51 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.914 111.4 48.8 -65.3 -41.9 -17.3 -11.9 9.2 92 95 A R H >> S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 3,-1.7 0.880 102.1 62.9 -65.5 -36.0 -18.1 -8.4 10.4 93 96 A E H 3< S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.659 92.9 66.8 -62.7 -13.3 -19.8 -7.5 7.1 94 97 A K T << S+ 0 0 104 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.782 117.3 21.9 -73.0 -28.2 -22.3 -10.3 8.0 95 98 A V T <4 S+ 0 0 30 -3,-1.7 124,-0.6 -4,-0.5 2,-0.3 0.608 128.8 25.0-120.2 -18.6 -23.6 -8.2 11.0 96 99 A I E < S-D 218 0A 0 -4,-2.5 2,-0.2 122,-0.2 -1,-0.2 -0.898 71.0-121.7-138.7 167.7 -22.7 -4.5 10.3 97 100 A D E -D 217 0A 0 120,-2.8 120,-2.4 -2,-0.3 2,-0.3 -0.709 23.9-156.1-105.2 165.5 -22.1 -2.3 7.2 98 101 A F E -D 216 0A 6 -2,-0.2 118,-0.2 118,-0.2 2,-0.0 -0.998 15.1-124.6-140.0 145.3 -18.8 -0.4 6.6 99 102 A S - 0 0 3 116,-2.2 3,-0.1 -2,-0.3 126,-0.1 -0.301 52.9 -80.8 -69.9 169.4 -17.9 2.7 4.5 100 103 A K S S- 0 0 121 124,-0.2 115,-0.4 1,-0.1 -1,-0.2 -0.324 71.8 -71.9 -66.8 159.8 -15.1 2.2 2.0 101 104 A P - 0 0 58 0, 0.0 113,-0.3 0, 0.0 -1,-0.1 -0.286 33.4-168.7 -64.7 137.2 -11.7 2.4 3.7 102 105 A F S S+ 0 0 10 111,-2.1 2,-0.3 1,-0.3 112,-0.1 0.526 85.7 28.0 -91.5 -10.0 -10.3 5.7 5.0 103 106 A M E S-I 213 0E 14 110,-1.1 110,-2.3 2,-0.0 2,-0.4 -0.971 70.1-155.0-151.0 135.5 -6.9 4.0 5.4 104 107 A T E +I 212 0E 93 -2,-0.3 2,-0.3 108,-0.2 108,-0.2 -0.851 28.0 150.8-107.9 143.9 -5.3 1.0 3.7 105 108 A L E -I 211 0E 0 106,-2.8 106,-2.2 -2,-0.4 2,-0.3 -0.944 19.6-170.4-157.4-178.7 -2.7 -1.2 5.4 106 109 A G - 0 0 0 -2,-0.3 82,-3.0 104,-0.2 104,-0.1 -0.977 41.6 -69.3-170.8 167.4 -1.2 -4.6 5.6 107 110 A I E +J 187 0F 0 -2,-0.3 101,-3.8 80,-0.2 102,-0.4 -0.431 58.6 163.5 -66.4 138.8 1.2 -6.8 7.6 108 111 A S E -J 186 0F 0 78,-2.7 78,-1.9 99,-0.2 2,-0.5 -0.860 35.4 -88.9-146.1-174.8 4.9 -5.7 7.3 109 112 A I E -JK 185 204F 2 95,-1.0 95,-3.4 97,-0.3 2,-0.6 -0.884 21.4-159.8-113.2 126.3 8.3 -6.1 8.9 110 113 A L E +JK 184 203F 0 74,-2.8 74,-1.8 -2,-0.5 2,-0.3 -0.896 35.2 138.6-101.0 120.7 9.9 -3.9 11.6 111 114 A Y E - K 0 202F 9 91,-3.0 91,-3.5 -2,-0.6 72,-0.1 -0.944 51.9 -75.2-154.7 169.1 13.7 -4.2 11.8 112 115 A R E > - K 0 201F 42 -2,-0.3 3,-0.6 89,-0.2 89,-0.2 -0.332 49.2-110.4 -69.6 152.1 17.0 -2.3 12.2 113 116 A K T 3 S+ 0 0 107 87,-1.1 -1,-0.1 1,-0.2 89,-0.0 -0.359 92.9 39.7 -74.0 161.4 18.4 -0.2 9.4 114 117 A G T 3 S+ 0 0 86 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.362 80.0 124.5 85.1 -3.8 21.6 -1.2 7.6 115 118 A T < - 0 0 46 -3,-0.6 -1,-0.2 2,-0.1 -4,-0.0 -0.701 69.6-123.6 -93.2 143.1 20.9 -4.9 7.3 116 119 A P S S+ 0 0 127 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.562 76.1 120.5 -57.7 -9.0 20.9 -6.7 3.9 117 120 A I + 0 0 25 1,-0.1 88,-0.2 5,-0.0 -2,-0.1 -0.372 28.1 161.2 -63.9 131.9 17.4 -7.9 4.8 118 121 A D - 0 0 117 1,-0.2 2,-0.3 86,-0.1 -1,-0.1 0.452 54.8 -0.2-133.2 -6.8 14.8 -6.7 2.2 119 122 A S S > S- 0 0 37 86,-0.2 4,-1.0 85,-0.1 -1,-0.2 -0.965 75.8 -85.8-167.6-178.5 11.7 -8.9 2.6 120 123 A A H > S+ 0 0 8 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.772 121.5 60.7 -73.3 -28.8 9.8 -11.8 4.3 121 124 A D H > S+ 0 0 94 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.820 101.6 53.7 -67.0 -31.6 11.5 -14.2 1.9 122 125 A D H 4 S+ 0 0 41 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.843 113.4 42.4 -69.8 -34.6 14.8 -13.1 3.3 123 126 A L H >< S+ 0 0 0 -4,-1.0 3,-1.1 2,-0.1 -2,-0.2 0.912 108.1 60.2 -76.2 -43.7 13.7 -13.9 6.8 124 127 A A H 3< S+ 0 0 8 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.1 0.894 103.1 47.4 -52.2 -53.9 11.9 -17.2 6.0 125 128 A K T 3< S+ 0 0 136 -4,-1.4 -1,-0.2 -5,-0.1 2,-0.2 0.579 110.0 59.0 -71.6 -11.2 15.0 -19.1 4.7 126 129 A Q < - 0 0 36 -3,-1.1 -3,-0.0 -4,-0.3 -4,-0.0 -0.583 51.5-169.7-112.8 177.7 17.3 -18.1 7.6 127 130 A T + 0 0 75 -2,-0.2 -1,-0.1 3,-0.1 -4,-0.1 0.350 68.2 89.8-146.4 -3.5 17.3 -18.6 11.4 128 131 A K S S+ 0 0 188 1,-0.1 2,-0.6 2,-0.0 53,-0.1 0.788 91.4 55.2 -68.3 -27.3 20.2 -16.4 12.7 129 132 A I S S- 0 0 19 -6,-0.2 53,-0.2 53,-0.0 -1,-0.1 -0.941 86.3-142.6-109.0 117.1 17.6 -13.6 12.9 130 133 A E E -l 182 0F 34 51,-1.6 53,-1.6 -2,-0.6 2,-0.3 -0.486 21.2-178.0 -75.2 153.1 14.5 -14.4 15.0 131 134 A Y E +l 183 0F 0 51,-0.3 2,-0.2 -2,-0.1 53,-0.2 -0.977 13.2 133.5-153.5 139.2 11.2 -13.1 13.8 132 135 A G E -l 184 0F 0 51,-2.1 53,-2.9 -2,-0.3 2,-0.3 -0.752 34.4-115.1-158.1-156.1 7.6 -13.2 15.2 133 136 A A - 0 0 0 32,-0.3 34,-1.0 -2,-0.2 2,-0.2 -0.929 45.8 -68.6-153.0 168.9 4.4 -11.4 16.1 134 137 A V B > -m 167 0G 8 51,-0.5 3,-1.7 -2,-0.3 6,-0.5 -0.511 64.7-101.6 -66.0 130.0 2.2 -10.5 19.1 135 138 A R T 3 S- 0 0 89 32,-3.2 -1,-0.1 1,-0.3 3,-0.1 -0.312 99.2 -1.3 -57.2 124.5 0.7 -13.7 20.5 136 139 A D T 3 S+ 0 0 126 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.637 102.1 131.7 74.1 15.9 -2.9 -14.2 19.5 137 140 A G S <> S- 0 0 11 -3,-1.7 4,-2.4 1,-0.1 3,-0.4 -0.440 76.4 -93.4 -96.9 171.2 -3.1 -11.0 17.5 138 141 A S H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.834 124.6 51.7 -52.3 -36.6 -4.4 -10.3 14.0 139 142 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.892 108.8 48.1 -72.1 -38.9 -0.9 -10.8 12.5 140 143 A M H > S+ 0 0 15 -6,-0.5 4,-2.7 -3,-0.4 -2,-0.2 0.937 110.9 52.8 -63.7 -46.0 -0.2 -14.2 14.2 141 144 A T H X S+ 0 0 49 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.875 104.2 55.7 -59.0 -41.3 -3.6 -15.4 13.0 142 145 A F H X S+ 0 0 45 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.943 111.1 44.0 -56.0 -50.0 -2.9 -14.5 9.4 143 146 A F H < S+ 0 0 1 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.912 112.4 52.6 -63.3 -41.6 0.3 -16.6 9.5 144 147 A K H < S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.890 115.8 39.7 -62.1 -39.3 -1.5 -19.4 11.2 145 148 A K H < S+ 0 0 150 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.612 92.2 119.0 -85.2 -11.5 -4.3 -19.5 8.6 146 149 A S < - 0 0 17 -4,-1.2 -3,-0.0 -3,-0.4 9,-0.0 -0.171 40.3-174.8 -62.0 145.4 -2.0 -18.9 5.6 147 150 A K + 0 0 189 5,-0.0 2,-0.6 4,-0.0 -1,-0.1 0.286 52.4 112.8-118.6 2.1 -1.7 -21.4 2.8 148 151 A I S >> S- 0 0 91 1,-0.1 4,-1.6 2,-0.0 3,-1.5 -0.698 71.3-134.1 -76.2 119.0 1.1 -19.5 1.0 149 152 A S H 3> S+ 0 0 91 -2,-0.6 4,-2.0 1,-0.3 3,-0.4 0.842 101.5 52.7 -45.2 -48.6 4.1 -21.8 1.3 150 153 A T H 3> S+ 0 0 28 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.789 113.3 43.3 -62.9 -29.9 6.5 -19.0 2.3 151 154 A Y H <> S+ 0 0 33 -3,-1.5 4,-1.4 2,-0.2 -1,-0.3 0.650 109.0 59.4 -87.0 -16.3 4.2 -17.8 5.2 152 155 A E H X S+ 0 0 91 -4,-1.6 4,-2.0 -3,-0.4 -2,-0.2 0.845 107.1 46.8 -73.7 -36.3 3.6 -21.5 6.1 153 156 A K H X S+ 0 0 117 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.903 110.8 51.8 -69.7 -42.7 7.4 -21.8 6.7 154 157 A M H X S+ 0 0 0 -4,-1.2 4,-1.2 -5,-0.2 -2,-0.2 0.828 110.7 49.5 -64.3 -31.8 7.4 -18.5 8.7 155 158 A W H X S+ 0 0 52 -4,-1.4 4,-3.3 2,-0.2 3,-0.4 0.943 107.3 50.5 -72.7 -50.8 4.6 -19.8 10.9 156 159 A A H X S+ 0 0 56 -4,-2.0 4,-1.1 1,-0.3 5,-0.2 0.850 111.5 52.0 -56.0 -34.4 6.1 -23.2 11.7 157 160 A F H X S+ 0 0 21 -4,-1.6 4,-1.4 2,-0.2 -1,-0.3 0.839 113.5 43.0 -69.9 -35.8 9.2 -21.3 12.7 158 161 A M H < S+ 0 0 0 -4,-1.2 7,-0.4 -3,-0.4 8,-0.3 0.943 114.9 47.7 -73.2 -51.0 7.2 -18.9 15.0 159 162 A S H < S+ 0 0 49 -4,-3.3 3,-0.3 1,-0.2 -2,-0.2 0.649 114.3 46.7 -68.8 -18.8 5.0 -21.6 16.6 160 163 A S H < S+ 0 0 87 -4,-1.1 3,-0.4 -5,-0.3 -1,-0.2 0.889 115.9 42.6 -86.5 -48.2 8.0 -23.9 17.3 161 164 A R S >X S+ 0 0 93 -4,-1.4 4,-3.3 -5,-0.2 3,-1.5 0.030 89.5 139.8 -80.4 27.1 10.1 -21.2 18.7 162 165 A Q H 3> + 0 0 66 1,-0.3 4,-1.7 -3,-0.3 -1,-0.2 0.853 58.4 50.2 -38.0 -65.9 6.8 -20.3 20.3 163 166 A Q H 34 S+ 0 0 176 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.738 124.9 28.8 -52.0 -27.9 7.9 -19.4 23.8 164 167 A S H <4 S+ 0 0 44 -3,-1.5 -2,-0.2 -6,-0.2 -1,-0.2 0.810 119.2 46.4-106.5 -37.9 10.5 -17.0 22.4 165 168 A A H < S+ 0 0 0 -4,-3.3 2,-0.9 -7,-0.4 -32,-0.3 0.808 97.7 73.6 -80.0 -31.5 9.4 -15.6 19.0 166 169 A L S < S- 0 0 10 -4,-1.7 -32,-0.2 -5,-0.4 -1,-0.1 -0.755 73.4-159.7 -89.1 105.8 5.8 -14.7 20.0 167 170 A V B -m 134 0G 1 -34,-1.0 -32,-3.2 -2,-0.9 3,-0.1 -0.161 22.8-120.9 -77.6 174.5 5.8 -11.6 22.1 168 171 A K S S- 0 0 152 1,-0.3 2,-0.3 -34,-0.2 -1,-0.1 0.753 82.7 -15.4 -89.9 -27.4 3.0 -10.5 24.5 169 172 A N S > S- 0 0 57 1,-0.1 4,-2.5 -36,-0.0 -1,-0.3 -0.974 74.2 -86.9-166.7 171.0 2.3 -7.1 22.9 170 173 A S H > S+ 0 0 28 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.867 121.4 55.6 -57.5 -42.0 3.6 -4.4 20.5 171 174 A D H > S+ 0 0 125 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.978 111.1 44.0 -53.2 -59.4 5.7 -2.6 23.3 172 175 A E H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.900 113.8 50.5 -51.3 -48.8 7.5 -5.9 24.1 173 176 A G H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.878 111.0 48.5 -60.2 -40.1 8.0 -6.7 20.4 174 177 A I H X S+ 0 0 27 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.874 110.7 51.4 -67.4 -37.3 9.4 -3.2 19.7 175 178 A Q H X S+ 0 0 118 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.920 108.2 52.6 -62.9 -44.8 11.7 -3.6 22.8 176 179 A R H X S+ 0 0 51 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.779 107.8 51.6 -60.9 -32.4 12.9 -7.0 21.4 177 180 A V H < S+ 0 0 0 -4,-1.3 5,-0.4 2,-0.2 -1,-0.2 0.930 113.8 42.1 -72.9 -45.6 13.7 -5.4 18.0 178 181 A L H < S+ 0 0 65 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.808 123.0 38.1 -69.6 -31.8 15.8 -2.6 19.6 179 182 A T H < S+ 0 0 96 -4,-2.1 2,-0.2 -5,-0.2 -1,-0.2 0.556 121.4 19.7-103.7 -11.6 17.6 -4.8 22.1 180 183 A T S < S- 0 0 69 -4,-1.3 2,-1.2 -5,-0.2 0, 0.0 -0.808 91.9 -79.6-141.5-175.0 18.2 -8.1 20.2 181 184 A D S S+ 0 0 75 -2,-0.2 -51,-1.6 -53,-0.1 2,-0.3 -0.767 81.1 124.5 -92.3 90.9 18.4 -9.6 16.7 182 185 A Y E - l 0 130F 0 -2,-1.2 2,-0.4 -5,-0.4 -51,-0.3 -0.992 48.6-147.6-151.4 147.6 14.7 -9.9 16.1 183 186 A A E - l 0 131F 0 -53,-1.6 -51,-2.1 -2,-0.3 2,-0.5 -0.986 14.5-146.9-123.7 130.0 12.1 -8.8 13.5 184 187 A L E -Jl 110 132F 0 -74,-1.8 -74,-2.8 -2,-0.4 2,-0.6 -0.841 3.6-148.5-100.9 126.9 8.5 -8.0 14.4 185 188 A L E +J 109 0F 1 -53,-2.9 -51,-0.5 -2,-0.5 2,-0.3 -0.845 41.8 141.8 -90.1 117.5 5.6 -8.7 12.0 186 189 A M E -J 108 0F 4 -78,-1.9 -78,-2.7 -2,-0.6 -80,-0.1 -0.922 56.3 -62.8-150.4 169.7 3.0 -6.0 12.6 187 190 A E E >> -J 107 0F 2 -2,-0.3 4,-2.0 -80,-0.2 3,-0.5 -0.367 44.7-127.0 -61.8 135.1 0.4 -3.8 10.9 188 191 A S H 3> S+ 0 0 7 -82,-3.0 4,-2.6 1,-0.2 5,-0.2 0.845 107.8 58.9 -51.7 -39.1 2.1 -1.3 8.5 189 192 A T H 3> S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 107.5 45.9 -56.8 -47.6 0.3 1.6 10.2 190 193 A S H <> S+ 0 0 26 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.904 111.6 52.7 -63.0 -41.6 1.8 0.8 13.5 191 194 A I H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.911 107.4 50.3 -61.0 -45.8 5.3 0.3 12.0 192 195 A E H X S+ 0 0 66 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.912 109.5 53.5 -59.3 -39.3 5.2 3.7 10.3 193 196 A Y H < S+ 0 0 35 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.877 113.7 40.9 -63.0 -41.4 4.2 5.2 13.6 194 197 A V H >X S+ 0 0 21 -4,-2.0 4,-1.3 2,-0.2 3,-1.2 0.914 111.8 54.0 -75.2 -43.6 7.2 3.7 15.4 195 198 A T H 3< S+ 0 0 31 -4,-3.1 3,-0.3 1,-0.3 -2,-0.2 0.864 103.1 57.9 -61.7 -34.7 9.8 4.3 12.6 196 199 A Q T 3< S+ 0 0 85 -4,-2.1 -1,-0.3 -5,-0.3 55,-0.2 0.781 116.7 35.2 -62.8 -24.3 8.9 8.0 12.6 197 200 A R T <4 S+ 0 0 104 -3,-1.2 2,-0.4 -4,-0.5 -2,-0.2 0.482 116.5 53.8-109.4 -7.3 9.8 8.1 16.3 198 201 A N >< - 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