==== 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 1PBQ . COMPND 2 MOLECULE: N-METHYL-D-ASPARTATE RECEPTOR SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.FURUKAWA,E.GOUAUX . 540 5 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 27 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 4 0 0 2 4 4 2 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 5 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 PARALLEL BRIDGES PER LADDER . 8 2 3 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 0 0 1 0 0 1 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 5 A R 0 0 213 0, 0.0 66,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 136.8 -12.6 20.3 -24.8 2 6 A L E -a 67 0A 20 64,-2.5 66,-2.2 1,-0.1 2,-0.8 -0.477 360.0-130.3 -68.1 129.9 -9.3 22.0 -25.1 3 7 A K E -a 68 0A 105 -2,-0.2 101,-3.1 64,-0.2 102,-1.1 -0.744 27.3-164.3 -83.7 110.3 -7.5 22.2 -21.7 4 8 A I E -ab 69 105A 1 64,-3.1 66,-2.2 -2,-0.8 2,-0.4 -0.816 3.5-161.0 -97.7 135.2 -6.4 25.8 -21.3 5 9 A V E +ab 70 106A 0 100,-2.2 102,-2.3 -2,-0.4 2,-0.3 -0.928 19.1 161.0-114.0 139.2 -3.8 26.7 -18.8 6 10 A T E -a 71 0A 1 64,-1.8 66,-2.4 -2,-0.4 2,-0.3 -0.833 23.5-135.5-142.5-176.2 -3.5 30.3 -17.5 7 11 A I - 0 0 12 100,-0.3 2,-0.6 -2,-0.3 64,-0.0 -0.978 30.0 -96.8-146.4 155.3 -2.0 32.2 -14.6 8 12 A H + 0 0 100 -2,-0.3 6,-0.2 64,-0.1 2,-0.1 -0.649 61.5 140.8 -74.6 116.2 -2.9 35.0 -12.2 9 13 A Q B >> -K 13 0B 50 4,-2.1 3,-1.8 -2,-0.6 4,-1.7 -0.576 47.5-112.9-162.0 88.0 -1.3 38.1 -13.7 10 14 A E T 34 S+ 0 0 60 1,-0.3 205,-0.1 2,-0.2 4,-0.1 -0.368 92.2 17.1 -66.4 144.4 -3.2 41.3 -13.6 11 15 A P T 34 S+ 0 0 0 0, 0.0 40,-1.7 0, 0.0 -1,-0.3 -0.919 129.3 48.8 -94.6 18.5 -4.4 43.0 -15.8 12 16 A F T <4 S+ 0 0 1 -3,-1.8 40,-1.6 1,-0.3 41,-0.8 0.861 127.2 13.8 -81.5 -36.5 -4.3 40.0 -18.3 13 17 A V B < -K 9 0B 0 -4,-1.7 -4,-2.1 39,-0.1 2,-0.3 -0.915 68.2-170.2-144.5 111.7 -5.8 37.5 -15.9 14 18 A Y E -C 49 0A 24 35,-3.5 35,-1.2 -2,-0.4 2,-0.4 -0.736 8.6-157.2 -95.8 151.4 -7.7 38.3 -12.7 15 19 A V E +C 48 0A 21 -2,-0.3 33,-0.2 33,-0.2 -5,-0.0 -0.976 19.8 162.9-134.0 119.3 -8.6 35.5 -10.3 16 20 A K E -C 47 0A 92 31,-2.5 31,-3.3 -2,-0.4 2,-0.0 -0.911 39.3 -97.3-133.8 160.3 -11.5 36.0 -7.8 17 21 A P E -C 46 0A 110 0, 0.0 29,-0.1 0, 0.0 2,-0.1 -0.355 41.8-110.2 -72.7 156.9 -13.7 33.7 -5.6 18 22 A T - 0 0 43 27,-0.5 6,-0.2 1,-0.1 5,-0.1 -0.422 38.6-102.4 -79.4 163.7 -17.1 32.7 -6.8 19 23 A M > - 0 0 80 4,-3.3 3,-2.4 -2,-0.1 -1,-0.1 -0.232 46.8 -82.6 -77.4 177.0 -20.1 34.2 -5.0 20 24 A S T 3 S+ 0 0 134 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.732 130.5 51.5 -53.7 -28.7 -22.1 32.1 -2.5 21 25 A D T 3 S- 0 0 109 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.253 120.3-105.9 -94.9 12.3 -24.2 30.5 -5.2 22 26 A G S < S+ 0 0 42 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.463 83.7 114.2 81.0 0.7 -21.1 29.4 -7.2 23 27 A T S S- 0 0 64 -5,-0.1 -4,-3.3 24,-0.0 2,-0.5 -0.492 71.2-102.2 -98.4 173.8 -21.5 32.0 -9.9 24 28 A a - 0 0 29 -6,-0.2 -6,-0.1 -2,-0.2 3,-0.1 -0.848 44.7-100.4 -99.3 127.4 -19.2 34.9 -10.9 25 29 A K - 0 0 34 -2,-0.5 2,-0.6 1,-0.1 -1,-0.1 -0.073 35.0-117.6 -44.6 134.0 -20.4 38.4 -9.8 26 30 A E + 0 0 85 8,-0.0 2,-0.3 -3,-0.0 -1,-0.1 -0.695 49.4 164.1 -79.2 118.2 -22.0 40.4 -12.6 27 31 A E - 0 0 87 -2,-0.6 8,-2.5 8,-0.3 2,-0.3 -0.851 22.3-150.5-130.8 167.7 -19.7 43.4 -13.1 28 32 A F B -L 34 0C 129 -2,-0.3 5,-0.1 6,-0.3 -2,-0.0 -0.977 21.8-107.3-141.2 153.8 -19.3 45.9 -15.8 29 33 A T > - 0 0 37 4,-2.5 3,-2.6 -2,-0.3 6,-0.0 -0.278 39.8-105.9 -71.8 164.2 -16.5 48.1 -17.2 30 34 A V T 3 S+ 0 0 112 1,-0.3 -1,-0.1 238,-0.2 238,-0.0 0.817 125.3 67.0 -60.0 -26.6 -16.6 51.9 -16.5 31 35 A N T 3 S- 0 0 97 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.632 119.7-115.7 -66.7 -15.4 -17.6 51.9 -20.1 32 36 A G S < S+ 0 0 51 -3,-2.6 -2,-0.1 1,-0.3 -1,-0.1 0.257 71.7 130.3 98.3 -11.6 -20.8 50.2 -19.0 33 37 A D - 0 0 49 1,-0.1 -4,-2.5 -5,-0.1 -1,-0.3 -0.384 66.2 -97.0 -77.3 154.4 -20.3 46.9 -20.8 34 38 A P B -L 28 0C 90 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.523 36.3-122.6 -71.8 130.5 -20.7 43.5 -19.1 35 39 A V - 0 0 28 -8,-2.5 -8,-0.3 -2,-0.3 2,-0.3 -0.629 24.0-131.8 -77.1 122.0 -17.4 41.9 -18.0 36 40 A K - 0 0 111 -2,-0.5 14,-0.4 -10,-0.1 2,-0.3 -0.554 32.6-179.6 -73.9 133.2 -17.0 38.5 -19.6 37 41 A K - 0 0 46 -2,-0.3 2,-0.3 12,-0.1 12,-0.2 -0.955 15.5-165.2-136.5 156.2 -15.9 35.9 -17.1 38 42 A V E -D 48 0A 17 10,-2.2 10,-2.9 -2,-0.3 2,-0.5 -0.963 29.8-109.9-137.0 152.5 -15.1 32.1 -17.1 39 43 A I E -D 47 0A 76 -2,-0.3 30,-0.6 8,-0.2 2,-0.4 -0.720 36.7-175.2 -83.8 129.2 -14.8 29.6 -14.4 40 44 A b E -De 46 69A 0 6,-2.7 6,-1.9 -2,-0.5 2,-0.3 -0.996 13.2-145.3-127.8 128.5 -11.2 28.5 -13.9 41 45 A T E De 45 70A 66 28,-1.9 30,-3.1 -2,-0.4 27,-0.0 -0.679 360.0 360.0 -93.2 147.0 -10.2 25.8 -11.5 42 46 A G 0 0 71 2,-1.0 -1,-0.1 -2,-0.3 28,-0.1 0.342 360.0 360.0-170.5 360.0 -6.9 25.9 -9.5 43 ! 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 44 59 A V 0 0 96 0, 0.0 -2,-1.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 125.9 -11.8 25.0 -6.3 45 60 A P E + D 0 41A 80 0, 0.0 -27,-0.5 0, 0.0 2,-0.2 -0.449 360.0 174.5 -65.4 129.8 -13.8 26.7 -9.1 46 61 A Q E -CD 17 40A 47 -6,-1.9 -6,-2.7 -2,-0.2 2,-0.5 -0.783 32.1-101.0-130.0 175.0 -12.8 30.4 -9.3 47 62 A a E -CD 16 39A 3 -31,-3.3 -31,-2.5 -2,-0.2 2,-0.4 -0.893 32.8-173.5-106.4 125.4 -13.6 33.3 -11.6 48 63 A b E +CD 15 38A 0 -10,-2.9 -10,-2.2 -2,-0.5 2,-0.3 -0.930 16.2 144.8-117.1 140.4 -11.1 34.4 -14.3 49 64 A Y E +C 14 0A 23 -35,-1.2 -35,-3.5 -2,-0.4 2,-0.3 -0.972 16.7 89.9-163.6 163.9 -11.4 37.5 -16.5 50 65 A G S > S- 0 0 0 -14,-0.4 4,-2.5 -2,-0.3 3,-0.3 -0.839 83.7 -33.8 136.3-173.4 -9.2 40.2 -18.1 51 66 A F H > S+ 0 0 2 -40,-1.7 4,-1.7 -2,-0.3 -39,-0.2 0.877 133.9 41.3 -46.2 -55.3 -7.3 40.9 -21.3 52 67 A C H > S+ 0 0 0 -40,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.795 112.2 55.2 -70.9 -28.2 -6.3 37.3 -22.1 53 68 A I H > S+ 0 0 2 -41,-0.8 4,-2.4 -3,-0.3 -2,-0.2 0.916 107.7 49.8 -70.1 -40.7 -9.7 35.9 -21.1 54 69 A D H X S+ 0 0 20 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.899 112.5 48.8 -61.2 -39.7 -11.4 38.3 -23.6 55 70 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.934 108.2 52.4 -66.1 -46.5 -8.9 37.0 -26.2 56 71 A L H X S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.2 5,-0.2 0.922 110.3 49.1 -54.5 -47.0 -9.5 33.3 -25.4 57 72 A I H X S+ 0 0 41 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.921 110.2 50.3 -59.4 -45.8 -13.3 33.9 -25.8 58 73 A K H X S+ 0 0 53 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.911 115.0 44.5 -59.6 -43.1 -12.7 35.7 -29.2 59 74 A L H X S+ 0 0 1 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.952 111.1 51.8 -65.9 -51.2 -10.5 32.8 -30.3 60 75 A A H X>S+ 0 0 10 -4,-3.5 5,-1.7 -5,-0.2 4,-0.5 0.903 115.5 44.3 -52.3 -42.8 -12.9 30.1 -29.0 61 76 A R H <5S+ 0 0 72 -4,-2.6 3,-0.3 -5,-0.2 -2,-0.2 0.954 117.4 40.5 -68.9 -53.5 -15.7 31.8 -30.9 62 77 A T H <5S+ 0 0 82 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.790 124.2 39.3 -68.5 -29.0 -13.9 32.5 -34.3 63 78 A M H <5S- 0 0 27 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.478 105.0-133.9 -98.0 -4.8 -12.2 29.1 -34.3 64 79 A N T <5 + 0 0 137 -4,-0.5 2,-0.3 -3,-0.3 -3,-0.2 0.964 51.6 138.7 50.5 72.5 -15.2 27.4 -32.9 65 80 A F < - 0 0 16 -5,-1.7 2,-0.2 -6,-0.1 -1,-0.2 -0.988 47.0-127.7-142.5 149.6 -13.8 25.2 -30.2 66 81 A T + 0 0 85 -2,-0.3 -64,-2.5 -5,-0.0 2,-0.3 -0.643 33.3 178.1 -94.4 157.5 -14.9 24.2 -26.7 67 82 A Y E -a 2 0A 60 -66,-0.3 2,-0.3 -2,-0.2 -64,-0.2 -0.958 27.9-149.4-154.1 170.5 -12.6 24.6 -23.7 68 83 A E E -a 3 0A 50 -66,-2.2 -64,-3.1 -2,-0.3 2,-0.4 -0.984 23.3-145.1-143.8 132.4 -12.0 24.3 -20.0 69 84 A V E +ae 4 40A 9 -30,-0.6 -28,-1.9 -2,-0.3 2,-0.3 -0.843 19.5 171.8-109.5 139.6 -9.6 26.6 -18.1 70 85 A H E -ae 5 41A 39 -66,-2.2 -64,-1.8 -2,-0.4 2,-0.4 -0.981 33.2-112.3-140.5 153.0 -7.4 25.8 -15.1 71 86 A L E -a 6 0A 26 -30,-3.1 -64,-0.2 -2,-0.3 -66,-0.0 -0.705 47.3 -93.9 -86.9 134.4 -4.7 27.7 -13.2 72 87 A V > - 0 0 10 -66,-2.4 3,-1.1 -2,-0.4 -64,-0.1 -0.166 33.6-131.7 -47.8 129.4 -1.2 26.3 -13.5 73 88 A A T 3 S+ 0 0 88 1,-0.2 -1,-0.1 20,-0.1 -2,-0.1 0.872 102.2 38.1 -55.4 -44.6 -0.5 24.0 -10.6 74 89 A D T 3 S- 0 0 76 2,-0.1 -1,-0.2 19,-0.1 3,-0.1 0.398 104.8-123.5 -92.6 6.1 2.8 25.4 -9.5 75 90 A G < + 0 0 51 -3,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.706 68.9 121.9 63.4 23.8 2.0 29.1 -10.2 76 91 A K - 0 0 110 1,-0.1 18,-1.3 3,-0.0 -1,-0.2 -0.839 63.4-138.9-119.0 155.5 4.9 29.7 -12.6 77 92 A F - 0 0 61 -2,-0.3 18,-1.3 16,-0.3 17,-0.5 0.929 66.3 -88.4 -73.3 -47.7 5.1 30.8 -16.2 78 93 A G + 0 0 3 15,-0.2 2,-0.3 16,-0.2 15,-0.2 0.044 51.7 165.9 135.5 117.8 7.8 28.3 -17.0 79 94 A T - 0 0 56 11,-0.1 13,-1.8 -2,-0.0 2,-0.7 -0.956 43.9 -99.9-144.0 158.2 11.6 27.9 -16.9 80 95 A Q E +M 91 0D 76 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.756 50.6 171.0 -85.2 116.5 14.0 25.0 -17.2 81 96 A E E -M 90 0D 100 9,-2.2 9,-2.8 -2,-0.7 2,-0.2 -0.826 37.3 -94.6-123.1 162.8 15.2 24.0 -13.7 82 97 A R E -M 89 0D 69 -2,-0.3 2,-0.3 7,-0.3 7,-0.3 -0.536 39.3-136.7 -77.6 140.7 17.2 21.1 -12.3 83 98 A V > - 0 0 34 5,-2.9 3,-2.0 -2,-0.2 5,-0.4 -0.751 66.0 -15.2-102.8 147.9 15.2 18.2 -10.9 84 99 A N T 3 S- 0 0 102 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.789 121.4 -55.9 26.5 68.6 15.8 16.2 -7.6 85 100 A N T 3 S+ 0 0 178 -3,-0.2 -1,-0.3 1,-0.1 2,-0.2 0.779 112.2 115.2 41.8 40.1 19.3 17.5 -7.0 86 101 A S S < S- 0 0 47 -3,-2.0 -1,-0.1 2,-0.3 -2,-0.0 -0.623 80.0-112.1-123.5-176.5 20.5 16.3 -10.4 87 102 A N S S+ 0 0 171 -2,-0.2 2,-0.4 -5,-0.1 -3,-0.1 0.348 84.2 109.4 -97.5 2.6 21.9 17.9 -13.6 88 103 A K - 0 0 58 -5,-0.4 -5,-2.9 -4,-0.1 2,-0.3 -0.678 57.2-157.9 -80.6 129.2 18.7 16.8 -15.4 89 104 A K E +M 82 0D 51 -2,-0.4 2,-0.3 -7,-0.3 -7,-0.3 -0.841 13.5 179.3-112.6 148.4 16.6 19.8 -16.2 90 105 A E E -M 81 0D 139 -9,-2.8 -9,-2.2 -2,-0.3 2,-0.2 -0.998 33.1-103.0-146.5 147.3 12.9 20.1 -16.9 91 106 A W E -M 80 0D 33 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.1 -0.458 37.8-171.1 -69.1 136.9 10.4 22.8 -17.7 92 107 A N > + 0 0 27 -13,-1.8 4,-2.4 -2,-0.2 3,-0.5 -0.335 47.9 31.8-110.0-164.7 8.1 23.9 -14.8 93 108 A G H > S- 0 0 3 1,-0.2 4,-1.6 2,-0.2 -16,-0.3 -0.074 123.7 -26.1 54.0-149.2 5.1 26.2 -14.8 94 109 A M H > S+ 0 0 0 -18,-1.3 4,-2.2 -17,-0.5 -1,-0.2 0.821 137.3 60.1 -68.7 -33.3 2.8 26.4 -17.8 95 110 A M H > S+ 0 0 0 -18,-1.3 4,-2.0 -3,-0.5 -1,-0.2 0.955 107.4 48.2 -57.7 -47.6 5.6 25.4 -20.2 96 111 A G H X S+ 0 0 13 -4,-2.4 4,-1.6 1,-0.2 6,-0.2 0.872 110.5 48.9 -60.9 -41.2 5.8 22.2 -18.3 97 112 A E H X>S+ 0 0 11 -4,-1.6 6,-1.4 2,-0.2 5,-1.2 0.846 110.6 51.0 -69.5 -34.1 2.1 21.5 -18.3 98 113 A L H <5S+ 0 0 0 -4,-2.2 3,-0.3 4,-0.2 -1,-0.2 0.885 112.6 45.8 -68.9 -40.8 1.8 22.1 -22.0 99 114 A L H <5S+ 0 0 66 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.792 113.4 49.8 -73.1 -28.7 4.6 19.7 -22.8 100 115 A S H <5S- 0 0 70 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.547 114.2-114.2 -87.1 -9.2 3.3 17.1 -20.4 101 116 A G T <5S+ 0 0 27 -4,-0.7 -3,-0.2 -3,-0.3 -4,-0.1 0.378 85.4 119.6 92.9 -5.5 -0.2 17.2 -21.9 102 117 A Q S - 0 0 67 -2,-0.4 4,-2.6 120,-0.1 3,-0.2 -0.984 53.3-108.8-156.6 155.0 11.9 33.8 -26.4 114 129 A N H > S+ 0 0 91 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.849 112.9 57.4 -54.0 -42.5 14.3 31.4 -28.3 115 130 A E H >4 S+ 0 0 48 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.943 113.9 39.5 -55.8 -49.3 14.8 28.9 -25.4 116 131 A R H >> S+ 0 0 21 -3,-0.2 4,-2.3 1,-0.2 3,-1.8 0.908 108.1 62.3 -66.6 -43.4 11.0 28.3 -25.2 117 132 A A H 3< S+ 0 0 33 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.664 93.9 65.3 -58.6 -17.1 10.5 28.3 -28.9 118 133 A Q T << S+ 0 0 117 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.796 114.2 28.8 -76.4 -27.2 12.8 25.3 -29.2 119 134 A Y T <4 S+ 0 0 100 -3,-1.8 122,-0.5 -4,-0.4 2,-0.2 0.751 127.6 23.6-103.6 -31.4 10.3 23.2 -27.2 120 135 A I S < S- 0 0 1 -4,-2.3 2,-0.4 120,-0.2 120,-0.2 -0.698 76.6-108.7-126.3-179.0 6.9 24.7 -28.0 121 136 A E E -G 239 0A 26 118,-3.3 118,-2.1 -2,-0.2 2,-0.3 -0.953 24.3-152.6-117.8 131.5 5.3 26.8 -30.7 122 137 A F E -G 238 0A 40 -2,-0.4 116,-0.2 116,-0.2 2,-0.1 -0.796 12.0-133.8-101.9 144.6 4.3 30.5 -30.3 123 138 A S - 0 0 6 114,-1.5 3,-0.1 -2,-0.3 124,-0.1 -0.282 50.8 -69.4 -81.5 176.8 1.5 32.1 -32.2 124 139 A K S S- 0 0 28 1,-0.1 113,-0.4 112,-0.1 -1,-0.2 -0.426 74.0 -84.7 -63.1 145.6 2.1 35.6 -33.8 125 140 A P - 0 0 49 0, 0.0 111,-0.3 0, 0.0 3,-0.1 -0.308 34.8-162.9 -56.9 130.7 2.4 38.0 -30.9 126 141 A F S S+ 0 0 2 109,-2.2 2,-0.3 1,-0.3 110,-0.1 0.560 81.1 6.3 -89.7 -8.3 -1.0 39.3 -29.7 127 142 A K E S-H 235 0A 33 108,-0.9 108,-2.9 2,-0.0 -1,-0.3 -0.904 82.0-110.8-168.3 140.4 0.7 42.2 -27.9 128 143 A Y E -H 234 0A 158 -2,-0.3 106,-0.3 106,-0.2 2,-0.3 -0.412 33.3-150.6 -74.6 154.7 4.3 43.4 -27.7 129 144 A Q E +H 233 0A 22 104,-2.9 104,-2.3 -2,-0.1 2,-0.3 -0.870 28.5 129.9-125.2 159.5 6.2 43.1 -24.5 130 145 A G E - 0 0 1 -2,-0.3 80,-2.7 102,-0.3 81,-0.3 -0.964 46.1 -92.3 174.0 177.1 9.0 45.0 -22.8 131 146 A L E +HI 230 209A 12 99,-2.7 99,-2.1 -2,-0.3 2,-0.3 -0.792 34.5 172.6-112.4 155.2 10.1 46.7 -19.6 132 147 A T E - I 0 208A 8 76,-2.1 76,-1.7 -2,-0.3 2,-0.4 -0.847 30.5-102.3-145.4-177.0 9.7 50.2 -18.4 133 148 A I E -HI 226 207A 0 93,-1.0 93,-1.8 -2,-0.3 2,-0.5 -0.959 19.8-153.5-122.8 132.6 10.3 52.2 -15.3 134 149 A L E +HI 225 206A 0 72,-2.6 72,-2.3 -2,-0.4 2,-0.3 -0.867 25.6 158.8-103.2 131.7 7.8 53.4 -12.7 135 150 A V E -H 224 0A 0 89,-2.4 89,-2.3 -2,-0.5 2,-0.2 -0.891 46.3 -85.5-141.9 169.5 8.6 56.5 -10.6 136 151 A K E > -H 223 0A 52 68,-0.5 3,-2.2 -2,-0.3 87,-0.3 -0.553 64.5 -82.6 -77.9 147.1 6.6 59.0 -8.6 137 152 A K T 3 S+ 0 0 53 85,-2.6 -1,-0.1 1,-0.3 3,-0.1 -0.191 118.2 29.5 -50.2 134.7 5.2 61.9 -10.7 138 153 A G T 3 S+ 0 0 81 1,-0.4 -1,-0.3 -3,-0.1 2,-0.1 -0.062 86.6 122.3 104.1 -32.7 7.8 64.6 -11.3 139 154 A T < - 0 0 47 -3,-2.2 2,-0.6 1,-0.1 -1,-0.4 -0.435 54.4-143.4 -66.4 134.9 10.8 62.3 -11.2 140 155 A R + 0 0 70 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.902 32.5 153.3-110.2 115.6 12.8 62.4 -14.4 141 156 A I - 0 0 4 -2,-0.6 -8,-0.1 -8,-0.1 3,-0.1 -0.983 30.0-156.6-139.2 122.9 14.4 59.3 -15.8 142 157 A T - 0 0 98 -2,-0.4 86,-1.1 1,-0.2 2,-0.3 0.611 56.9 -88.7 -76.7 -12.5 15.1 58.9 -19.5 143 158 A G S > S- 0 0 5 84,-0.3 3,-1.7 1,-0.1 -1,-0.2 -0.947 72.8 -25.9 139.7-161.3 15.2 55.1 -19.4 144 159 A I T 3 S+ 0 0 20 84,-0.4 -1,-0.1 -2,-0.3 85,-0.0 0.616 133.7 51.6 -65.7 -14.0 17.5 52.2 -18.9 145 160 A N T 3 S+ 0 0 137 4,-0.1 -1,-0.3 -3,-0.0 82,-0.0 0.334 78.1 129.0-105.1 6.0 20.5 54.3 -20.0 146 161 A D X> - 0 0 13 -3,-1.7 4,-2.5 1,-0.1 3,-2.1 -0.338 68.9-118.4 -61.8 141.2 19.8 57.3 -17.7 147 162 A P H 3> S+ 0 0 87 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.847 111.9 56.8 -47.9 -45.1 22.8 58.4 -15.6 148 163 A R H 34 S+ 0 0 109 1,-0.2 5,-0.3 2,-0.2 8,-0.1 0.603 114.1 40.1 -68.0 -11.1 21.2 57.7 -12.3 149 164 A L H <4 S+ 0 0 1 -3,-2.1 -1,-0.2 -6,-0.1 -4,-0.1 0.796 116.0 47.9 -99.7 -44.8 20.6 54.1 -13.3 150 165 A R H < S+ 0 0 41 -4,-2.5 -2,-0.2 1,-0.3 -4,-0.1 0.791 119.3 41.1 -66.8 -29.7 23.9 53.5 -15.1 151 166 A N S < S- 0 0 121 -4,-2.5 -1,-0.3 -5,-0.3 28,-0.0 -0.732 89.9-155.1-125.7 82.6 25.9 55.0 -12.2 152 167 A P + 0 0 40 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.095 22.6 156.5 -57.5 145.8 24.3 53.7 -8.9 153 168 A S > - 0 0 56 3,-0.5 3,-1.7 -5,-0.3 -2,-0.0 -0.955 55.5-102.6-164.9 155.5 24.4 55.3 -5.4 154 169 A D T 3 S+ 0 0 126 -2,-0.3 3,-0.3 1,-0.3 -1,-0.0 0.636 111.1 76.5 -58.4 -14.2 22.3 55.2 -2.2 155 170 A K T 3 S+ 0 0 193 1,-0.3 2,-0.4 -7,-0.0 -1,-0.3 0.771 103.0 30.9 -70.1 -28.7 20.9 58.6 -3.3 156 171 A F S < S- 0 0 12 -3,-1.7 -3,-0.5 -8,-0.1 2,-0.5 -0.861 80.0-159.5-135.1 99.8 18.5 57.1 -6.0 157 172 A I + 0 0 32 -2,-0.4 48,-1.5 -3,-0.3 47,-1.5 -0.668 15.5 171.0 -85.7 123.2 17.3 53.6 -5.2 158 173 A Y E +j 205 0A 0 -2,-0.5 2,-0.3 46,-0.2 48,-0.2 -0.928 8.6 144.9-127.7 155.8 15.9 51.4 -8.0 159 174 A A E -j 206 0A 0 46,-1.9 48,-2.5 -2,-0.3 2,-0.2 -0.970 29.0-141.3-170.0-179.7 15.0 47.8 -8.0 160 175 A T - 0 0 0 -2,-0.3 28,-2.5 23,-0.2 2,-0.5 -0.645 49.2 -60.9-140.0-164.6 12.8 44.9 -9.2 161 176 A V B > -n 188 0E 13 46,-0.3 3,-1.8 26,-0.2 6,-0.5 -0.797 57.2-107.6 -94.9 128.1 11.2 41.8 -7.7 162 177 A K T 3 S+ 0 0 37 26,-2.7 3,-0.1 -2,-0.5 -1,-0.1 -0.220 98.7 2.9 -54.3 135.0 13.5 39.2 -6.2 163 178 A Q T 3 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.639 99.3 136.5 61.2 19.5 13.8 36.0 -8.2 164 179 A S S <> S- 0 0 15 -3,-1.8 4,-2.8 1,-0.1 5,-0.2 -0.386 74.9 -99.8 -87.2 170.4 11.5 37.4 -10.9 165 180 A S H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.857 126.8 50.8 -58.2 -35.3 12.1 37.1 -14.7 166 181 A V H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 109.9 48.3 -68.1 -46.4 13.5 40.6 -14.6 167 182 A D H > S+ 0 0 6 -6,-0.5 4,-2.0 1,-0.2 -2,-0.2 0.919 113.3 47.9 -58.4 -46.4 15.8 39.9 -11.6 168 183 A I H X S+ 0 0 71 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.860 111.0 51.6 -64.5 -37.0 17.1 36.7 -13.4 169 184 A Y H X S+ 0 0 117 -4,-1.8 4,-0.9 -5,-0.2 -2,-0.2 0.911 110.9 46.2 -67.4 -44.4 17.6 38.6 -16.6 170 185 A F H < S+ 0 0 1 -4,-2.5 3,-0.4 1,-0.2 10,-0.2 0.863 109.7 56.0 -66.5 -34.7 19.7 41.4 -15.0 171 186 A R H < S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.830 108.8 47.1 -65.3 -33.6 21.7 38.8 -13.1 172 187 A R H < S+ 0 0 84 -4,-1.4 2,-0.7 -3,-0.2 -1,-0.2 0.595 90.8 90.8 -86.4 -13.7 22.7 37.1 -16.4 173 188 A Q >< - 0 0 26 -4,-0.9 3,-1.4 -3,-0.4 7,-0.2 -0.762 55.6-165.9 -89.7 112.7 23.7 40.2 -18.3 174 189 A V G > S+ 0 0 93 -2,-0.7 3,-1.5 1,-0.3 4,-0.2 0.877 91.1 60.5 -61.2 -36.6 27.4 40.9 -17.9 175 190 A E G 3 S+ 0 0 98 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.660 105.6 47.8 -65.3 -16.5 26.7 44.4 -19.3 176 191 A L G <> S+ 0 0 24 -3,-1.4 4,-2.7 -6,-0.2 3,-0.3 0.279 73.7 113.8-109.1 10.8 24.3 45.1 -16.5 177 192 A S H <> S+ 0 0 58 -3,-1.5 4,-1.9 1,-0.2 5,-0.2 0.846 76.1 54.0 -49.3 -41.3 26.5 43.9 -13.6 178 193 A T H > S+ 0 0 92 -4,-0.2 4,-1.0 -3,-0.2 -1,-0.2 0.944 113.1 41.3 -61.8 -48.0 26.8 47.5 -12.2 179 194 A M H > S+ 0 0 10 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.860 112.7 55.6 -67.7 -36.7 23.0 47.9 -12.1 180 195 A Y H X S+ 0 0 58 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.852 101.4 55.9 -66.0 -36.3 22.5 44.4 -10.7 181 196 A R H < S+ 0 0 58 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.840 112.9 43.4 -65.1 -32.6 24.8 44.9 -7.8 182 197 A H H >< S+ 0 0 4 -4,-1.0 3,-0.8 -5,-0.2 4,-0.5 0.925 114.5 49.2 -76.4 -46.8 22.7 47.9 -6.8 183 198 A M H >X S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.2 4,-1.9 0.902 101.8 61.3 -59.7 -45.5 19.3 46.1 -7.4 184 199 A E T 3< S+ 0 0 53 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.790 102.1 55.5 -54.2 -27.4 20.2 43.0 -5.5 185 200 A K T <4 S+ 0 0 139 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.679 121.3 25.9 -80.6 -15.9 20.5 45.3 -2.4 186 201 A H T <4 S+ 0 0 44 -3,-2.1 -2,-0.2 -4,-0.5 -1,-0.2 0.426 81.2 136.4-128.0 1.1 17.0 46.7 -2.8 187 202 A N < - 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