==== 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 19-SEP-07 2RC9 . COMPND 2 MOLECULE: GLUTAMATE [NMDA] RECEPTOR SUBUNIT 3A; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Y.YAO,M.L.MAYER . 574 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 12.7 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 25 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 4 0 0 2 2 7 1 1 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 0 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 0 PARALLEL BRIDGES PER LADDER . 6 4 3 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 1 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 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 K 0 0 144 0, 0.0 81,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 115.5 -9.0 -19.2 -0.3 2 5 A L E -a 82 0A 89 79,-0.7 81,-2.5 78,-0.3 2,-0.5 -0.407 360.0-147.6 -74.4 154.4 -8.2 -16.1 1.7 3 6 A H E -a 83 0A 131 79,-0.2 2,-0.4 -2,-0.1 81,-0.2 -0.971 19.5-172.2-126.0 112.4 -8.2 -12.6 0.2 4 7 A L E -a 84 0A 12 79,-2.5 81,-2.0 -2,-0.5 2,-0.6 -0.874 20.2-142.0-109.6 135.0 -5.6 -10.3 1.8 5 8 A R E -a 85 0A 25 -2,-0.4 110,-2.9 79,-0.2 111,-1.3 -0.881 25.8-158.7 -93.3 121.2 -5.2 -6.6 1.2 6 9 A V E -ab 86 116A 0 79,-3.8 81,-2.5 -2,-0.6 2,-0.4 -0.854 7.9-156.6-108.8 128.2 -1.5 -5.9 1.2 7 10 A V E +ab 87 117A 0 109,-2.3 111,-2.2 -2,-0.5 2,-0.2 -0.841 19.7 174.7 -98.0 140.0 0.1 -2.5 1.8 8 11 A T E -a 88 0A 0 79,-2.5 81,-2.6 -2,-0.4 2,-0.3 -0.786 22.9-139.7-134.1-179.3 3.5 -1.8 0.5 9 12 A L - 0 0 8 109,-0.4 2,-0.6 -2,-0.2 111,-0.3 -0.987 28.9-113.0-146.1 134.4 6.0 1.1 0.2 10 13 A I + 0 0 44 -2,-0.3 2,-0.3 79,-0.1 6,-0.2 -0.584 53.5 146.0 -78.5 116.0 8.3 1.8 -2.8 11 14 A E B >> -H 15 0B 9 4,-1.2 4,-2.1 -2,-0.6 3,-1.5 -0.878 48.6 -90.8-155.9 111.0 11.9 1.2 -1.8 12 15 A H T 34 S+ 0 0 74 1,-0.3 216,-0.1 -2,-0.3 215,-0.1 -0.471 100.5 6.7 -75.9 141.4 14.5 -0.1 -4.2 13 16 A P T 34 S+ 0 0 0 0, 0.0 55,-2.1 0, 0.0 -1,-0.3 -0.889 127.8 56.2 -99.9 25.8 15.3 -3.0 -4.8 14 17 A F T <4 S+ 0 0 0 -3,-1.5 55,-2.1 1,-0.3 56,-0.7 0.890 123.2 6.7 -82.1 -37.7 12.5 -4.5 -2.6 15 18 A V B < +H 11 0B 0 -4,-2.1 -4,-1.2 52,-0.2 -1,-0.3 -0.981 66.5 170.7-150.0 129.9 9.6 -2.7 -4.4 16 19 A F E -C 66 0A 19 50,-2.9 50,-2.0 -2,-0.3 2,-0.3 -0.861 17.1-147.7-125.4 162.7 9.6 -0.5 -7.6 17 20 A T E +C 65 0A 47 -2,-0.3 2,-0.3 48,-0.2 48,-0.2 -0.948 15.6 174.4-127.9 152.4 6.6 0.8 -9.6 18 21 A R E -C 64 0A 153 46,-2.0 46,-3.1 -2,-0.3 2,-0.1 -0.921 41.3 -82.1-140.6 174.5 6.2 1.5 -13.3 19 22 A E - 0 0 120 -2,-0.3 44,-0.2 44,-0.2 5,-0.0 -0.437 52.7 -98.5 -72.6 152.0 3.2 2.6 -15.4 20 23 A V - 0 0 29 42,-0.4 6,-0.2 1,-0.1 -1,-0.1 -0.218 51.5 -95.4 -61.7 159.7 0.7 -0.1 -16.6 21 24 A D > - 0 0 56 4,-3.2 3,-2.5 1,-0.1 -1,-0.1 -0.121 41.0 -84.3 -80.6-179.4 1.3 -1.3 -20.1 22 25 A D T 3 S+ 0 0 173 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.526 132.8 45.9 -62.2 -9.3 -0.3 -0.2 -23.5 23 26 A E T 3 S- 0 0 165 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.380 122.7-105.3-112.1 -2.5 -3.2 -2.6 -22.8 24 27 A G S < S+ 0 0 26 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.557 84.6 103.5 91.0 13.5 -3.6 -1.4 -19.1 25 28 A L S S- 0 0 95 6,-0.0 -4,-3.2 39,-0.0 -1,-0.3 -0.469 71.7-113.8-118.5-171.2 -2.0 -4.5 -17.5 26 29 A a > - 0 0 18 -6,-0.2 3,-1.7 1,-0.2 5,-0.1 -0.626 25.7-178.9-130.4 74.4 1.2 -5.6 -15.8 27 30 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -7,-0.0 0.864 85.4 18.5 -45.5 -59.3 3.0 -8.3 -17.8 28 31 A A T 3 S+ 0 0 101 2,-0.1 2,-0.2 36,-0.0 -2,-0.0 0.248 126.6 41.7-103.0 19.1 5.9 -8.9 -15.5 29 32 A G S < S- 0 0 13 -3,-1.7 2,-0.5 37,-0.1 37,-0.2 -0.565 85.7 -80.7-140.7-161.9 4.6 -7.4 -12.3 30 33 A Q E -D 65 0A 56 35,-2.1 35,-3.2 -2,-0.2 2,-0.1 -0.972 38.8-120.1-118.8 122.9 1.6 -7.0 -9.9 31 34 A L E +D 64 0A 52 -2,-0.5 55,-0.4 33,-0.2 2,-0.3 -0.419 42.9 177.1 -54.6 131.7 -1.1 -4.5 -10.6 32 35 A b E -D 63 0A 0 31,-2.6 31,-1.6 -2,-0.1 2,-0.3 -0.996 25.4-128.0-149.1 135.4 -1.2 -2.1 -7.5 33 36 A L E -De 62 87A 0 53,-2.2 55,-2.3 -2,-0.3 29,-0.2 -0.607 10.5-169.0 -88.5 145.0 -3.2 1.0 -6.6 34 37 A D + 0 0 40 27,-2.1 28,-0.1 -2,-0.3 55,-0.1 -0.656 30.6 148.2-125.9 69.6 -1.5 4.3 -5.5 35 38 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.460 52.6-130.0 -92.3 -4.4 -4.7 6.1 -4.3 36 39 A M + 0 0 115 52,-0.4 2,-0.3 1,-0.2 53,-0.1 0.949 63.4 121.3 53.5 59.0 -3.1 8.2 -1.5 37 40 A T - 0 0 27 51,-0.4 53,-0.6 1,-0.1 -1,-0.2 -0.997 52.4-165.9-145.2 150.4 -5.5 7.2 1.2 38 41 A N + 0 0 122 -2,-0.3 2,-0.6 51,-0.1 75,-0.1 0.164 61.1 115.4-113.3 16.7 -5.6 5.6 4.6 39 42 A D > - 0 0 77 1,-0.1 4,-1.8 74,-0.0 5,-0.2 -0.773 53.4-157.8 -92.2 116.9 -9.3 5.1 4.5 40 43 A S H > S+ 0 0 37 -2,-0.6 4,-2.5 1,-0.2 -1,-0.1 0.873 91.6 52.4 -58.1 -44.9 -10.4 1.5 4.4 41 44 A S H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 107.3 53.5 -60.8 -40.0 -13.9 2.1 2.9 42 45 A M H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 110.6 46.3 -61.6 -44.0 -12.3 4.1 0.0 43 46 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.872 109.2 54.9 -65.8 -40.3 -9.9 1.1 -0.7 44 47 A D H X S+ 0 0 85 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.947 111.1 46.2 -53.5 -49.3 -12.8 -1.4 -0.6 45 48 A R H X S+ 0 0 147 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.890 113.5 47.9 -64.0 -42.4 -14.6 0.7 -3.2 46 49 A L H X S+ 0 0 10 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.944 115.2 43.5 -65.5 -46.9 -11.6 1.1 -5.5 47 50 A F H X S+ 0 0 6 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.918 110.6 55.3 -69.6 -41.4 -10.7 -2.6 -5.4 48 51 A S H < S+ 0 0 73 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.922 112.2 44.8 -48.8 -48.3 -14.3 -3.7 -5.8 49 52 A S H >< S+ 0 0 8 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.945 108.7 56.4 -63.1 -49.6 -14.4 -1.5 -9.0 50 53 A L H 3< S+ 0 0 24 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 111.4 43.9 -46.8 -40.1 -11.0 -2.8 -10.2 51 54 A H T 3< S+ 0 0 125 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.294 106.1 79.2 -93.4 4.5 -12.3 -6.4 -10.1 52 55 A S S < S- 0 0 57 -3,-1.9 3,-0.3 -4,-0.2 2,-0.2 -0.451 91.3 -87.2-106.5 172.5 -15.7 -5.8 -11.7 53 56 A S S S+ 0 0 116 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.596 116.3 35.3 -63.9 147.2 -17.3 -5.3 -15.0 54 57 A N S S- 0 0 134 -2,-0.2 2,-0.7 1,-0.2 -1,-0.2 0.995 79.7-160.6 59.0 65.6 -17.0 -1.5 -15.5 55 58 A D + 0 0 59 -3,-0.3 -1,-0.2 1,-0.1 -5,-0.1 -0.701 19.7 168.5 -70.2 111.2 -13.6 -0.8 -14.0 56 59 A T + 0 0 85 -2,-0.7 -1,-0.1 -10,-0.1 -6,-0.1 0.076 19.9 141.9-116.2 21.4 -13.8 3.0 -13.3 57 60 A V - 0 0 6 -11,-0.1 5,-0.1 1,-0.1 -2,-0.0 -0.484 66.5-101.7 -61.8 126.0 -10.7 3.2 -11.1 58 61 A P > - 0 0 55 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.317 28.0-131.6 -53.0 125.9 -9.0 6.5 -12.1 59 62 A I G > S+ 0 0 131 1,-0.3 3,-1.6 2,-0.2 -2,-0.1 0.773 101.9 67.0 -53.8 -33.0 -6.1 5.6 -14.3 60 63 A K G 3 S+ 0 0 150 1,-0.3 -1,-0.3 -27,-0.0 -3,-0.0 0.738 96.6 57.5 -62.3 -22.8 -3.6 7.7 -12.4 61 64 A F G < S+ 0 0 35 -3,-2.1 -27,-2.1 -28,-0.1 2,-0.4 0.594 87.9 94.4 -80.2 -13.0 -4.0 5.3 -9.4 62 65 A K E < + D 0 33A 30 -3,-1.6 -42,-0.4 -4,-0.3 2,-0.3 -0.707 47.8 153.7 -89.6 133.5 -2.9 2.3 -11.4 63 66 A K E - D 0 32A 32 -31,-1.6 -31,-2.6 -2,-0.4 2,-0.5 -0.939 41.5-118.6-142.7 163.6 0.7 1.1 -11.3 64 67 A a E -CD 18 31A 7 -46,-3.1 -46,-2.0 -2,-0.3 2,-0.5 -0.954 28.2-156.7-106.0 128.4 2.7 -2.0 -11.8 65 68 A b E +CD 17 30A 0 -35,-3.2 -35,-2.1 -2,-0.5 2,-0.3 -0.891 20.9 160.3-111.4 130.3 4.7 -3.1 -8.7 66 69 A Y E +C 16 0A 62 -50,-2.0 -50,-2.9 -2,-0.5 2,-0.3 -0.914 14.8 94.1-144.1 161.1 7.8 -5.4 -9.0 67 70 A G S > S- 0 0 0 -2,-0.3 4,-2.6 -52,-0.2 3,-0.3 -0.847 81.2 -50.2 141.7 177.7 10.8 -6.2 -6.9 68 71 A Y H > S+ 0 0 2 -55,-2.1 4,-1.9 -2,-0.3 -54,-0.2 0.921 132.5 46.2 -53.7 -48.0 12.4 -8.6 -4.3 69 72 A C H > S+ 0 0 0 -55,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.761 110.3 52.6 -69.0 -26.8 9.3 -8.3 -2.1 70 73 A I H > S+ 0 0 2 -56,-0.7 4,-2.6 -3,-0.3 -1,-0.2 0.882 108.3 50.0 -77.4 -41.0 6.8 -8.8 -4.9 71 74 A D H X S+ 0 0 25 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.917 113.8 47.8 -57.6 -41.9 8.6 -12.0 -6.0 72 75 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.932 110.9 49.9 -65.9 -48.0 8.3 -13.1 -2.3 73 76 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.900 108.7 52.7 -51.7 -49.9 4.6 -12.1 -2.1 74 77 A E H X S+ 0 0 64 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.888 110.0 48.2 -57.9 -41.5 3.8 -14.0 -5.3 75 78 A Q H X S+ 0 0 57 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.924 112.6 47.8 -65.7 -48.0 5.5 -17.2 -3.9 76 79 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.901 109.9 52.9 -55.0 -46.8 3.7 -16.9 -0.5 77 80 A A H X>S+ 0 0 10 -4,-2.7 5,-1.8 1,-0.2 4,-0.7 0.913 112.7 45.3 -57.8 -44.4 0.3 -16.3 -2.3 78 81 A E H <5S+ 0 0 141 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.935 117.9 41.7 -63.5 -49.1 0.9 -19.5 -4.3 79 82 A D H <5S+ 0 0 75 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.863 121.9 39.5 -72.3 -33.4 2.0 -21.6 -1.4 80 83 A M H <5S- 0 0 44 -4,-3.1 -78,-0.3 -5,-0.2 -1,-0.2 0.434 106.2-125.4 -95.9 1.3 -0.5 -20.4 1.1 81 84 A N T <5 + 0 0 97 -4,-0.7 -79,-0.7 -3,-0.4 2,-0.3 0.913 61.9 130.9 56.7 52.3 -3.4 -20.3 -1.4 82 85 A F E < -a 2 0A 5 -5,-1.8 2,-0.3 -81,-0.2 -79,-0.2 -0.918 45.5-144.6-123.3 153.9 -4.4 -16.7 -1.0 83 86 A D E -a 3 0A 68 -81,-2.5 -79,-2.5 -2,-0.3 2,-0.3 -0.802 22.7-155.2-111.1 166.4 -5.1 -13.9 -3.4 84 87 A F E -a 4 0A 38 -2,-0.3 2,-0.4 -81,-0.2 -79,-0.2 -0.964 22.8-145.4-144.3 152.2 -4.3 -10.3 -2.8 85 88 A D E -a 5 0A 40 -81,-2.0 -79,-3.8 -2,-0.3 2,-0.4 -0.940 29.2-153.3-109.0 141.8 -5.0 -6.7 -3.5 86 89 A L E +a 6 0A 2 -55,-0.4 -53,-2.2 -2,-0.4 2,-0.3 -0.964 18.9 167.0-125.5 129.0 -1.9 -4.5 -3.4 87 90 A Y E -ae 7 33A 0 -81,-2.5 -79,-2.5 -2,-0.4 2,-0.5 -0.976 34.3-115.4-139.9 154.1 -1.7 -0.7 -2.6 88 91 A I E -a 8 0A 12 -55,-2.3 -52,-0.4 -2,-0.3 -51,-0.4 -0.788 43.0-102.5 -90.0 127.4 1.0 1.8 -1.8 89 92 A V > - 0 0 2 -81,-2.6 3,-0.9 -2,-0.5 -79,-0.1 -0.200 29.5-132.8 -53.1 131.1 0.8 3.4 1.7 90 93 A G T 3 S+ 0 0 19 -53,-0.6 -1,-0.1 1,-0.2 -52,-0.1 0.830 100.9 42.8 -62.3 -38.1 -0.7 6.9 1.4 91 94 A D T 3 S- 0 0 67 2,-0.2 -1,-0.2 -54,-0.1 3,-0.1 0.515 101.2-128.8 -91.3 0.1 1.8 8.8 3.5 92 95 A G < + 0 0 33 -3,-0.9 2,-0.3 1,-0.2 -2,-0.1 0.626 66.1 128.0 65.7 12.5 4.8 7.0 2.0 93 96 A K - 0 0 32 1,-0.1 12,-1.0 107,-0.1 -1,-0.2 -0.770 62.7-143.5-104.2 147.7 6.1 6.2 5.6 94 97 A Y - 0 0 5 80,-0.3 12,-1.4 -2,-0.3 11,-0.8 0.917 65.9 -97.6 -65.9 -45.4 7.1 3.0 7.2 95 98 A G + 0 0 0 80,-2.2 2,-0.3 9,-0.2 9,-0.2 -0.083 46.2 177.7 132.8 134.3 5.5 4.2 10.5 96 99 A A - 0 0 3 5,-0.1 7,-2.2 -2,-0.1 2,-0.7 -0.939 44.4 -89.1-146.7 167.6 6.2 5.8 13.8 97 100 A W E +I 102 0C 152 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.767 59.3 158.3 -79.3 109.4 4.4 7.0 16.9 98 101 A K E > -I 101 0C 70 3,-2.9 3,-1.0 -2,-0.7 -2,-0.1 -0.987 60.2 -7.0-142.3 129.2 3.5 10.7 16.1 99 102 A N T 3 S- 0 0 156 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.884 129.7 -50.4 52.0 47.2 0.7 12.8 17.6 100 103 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.615 124.0 74.6 72.7 13.9 -0.8 10.0 19.6 101 104 A H E < S-I 98 0C 99 -3,-1.0 -3,-2.9 -5,-0.1 2,-0.4 -0.967 80.3-104.2-148.3 164.5 -1.1 7.5 16.7 102 105 A W E -I 97 0C 39 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.786 36.9-159.0 -88.2 137.9 0.9 5.2 14.5 103 106 A T > + 0 0 13 -7,-2.2 4,-2.2 -2,-0.4 3,-0.4 -0.371 47.6 10.5-100.5-177.4 1.6 6.4 11.0 104 107 A G H > S- 0 0 3 2,-0.2 4,-1.9 1,-0.2 -10,-0.2 -0.059 123.1 -13.1 56.6-141.4 2.5 4.6 7.8 105 108 A L H > S+ 0 0 0 -12,-1.0 4,-2.0 -11,-0.8 -1,-0.2 0.895 136.6 55.2 -64.3 -41.6 2.4 0.8 7.4 106 109 A V H > S+ 0 0 0 -12,-1.4 4,-2.2 -3,-0.4 -2,-0.2 0.931 108.3 49.6 -58.1 -46.2 2.1 0.3 11.1 107 110 A G H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 6,-0.3 0.880 108.4 51.2 -60.9 -44.7 -1.0 2.6 11.2 108 111 A D H X>S+ 0 0 6 -4,-1.9 6,-2.0 2,-0.2 5,-1.3 0.826 110.9 49.4 -64.6 -33.2 -2.7 0.8 8.3 109 112 A L H ><5S+ 0 0 5 -4,-2.0 3,-0.8 4,-0.2 -2,-0.2 0.948 114.0 45.2 -69.1 -43.8 -2.2 -2.6 10.0 110 113 A L H 3<5S+ 0 0 73 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.781 114.0 48.5 -72.0 -28.2 -3.6 -1.3 13.4 111 114 A S H 3<5S- 0 0 74 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.555 112.9-117.4 -85.1 -9.2 -6.6 0.5 11.8 112 115 A G T <<5S+ 0 0 44 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.577 80.5 125.1 79.4 12.1 -7.5 -2.6 9.7 113 116 A T S - 0 0 10 -2,-0.8 4,-2.0 123,-0.1 5,-0.1 -0.835 51.2-103.2-127.6 171.4 12.2 -3.2 15.9 125 128 A T H > S+ 0 0 28 -2,-0.3 4,-0.8 2,-0.2 -1,-0.1 0.921 115.0 51.4 -60.0 -49.1 11.3 -3.2 19.6 126 129 A A H >4 S+ 0 0 23 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.935 114.7 42.7 -57.5 -49.1 8.7 -0.4 19.5 127 130 A R H >> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-1.7 0.864 105.2 64.4 -66.3 -31.6 6.7 -1.9 16.5 128 131 A S H 3< S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.711 95.0 61.2 -65.7 -17.9 7.0 -5.4 18.0 129 132 A Q T << S+ 0 0 37 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.708 117.9 26.1 -76.8 -19.0 4.9 -4.1 20.9 130 133 A V T <4 S+ 0 0 38 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.702 121.1 31.3-123.1 -25.6 1.9 -3.3 18.6 131 134 A I S < S- 0 0 3 -4,-2.4 2,-0.3 123,-0.2 -1,-0.2 -0.877 76.0-109.0-130.5 162.7 2.0 -5.5 15.4 132 135 A D E -G 253 0A 29 121,-2.5 121,-2.9 -2,-0.3 2,-0.4 -0.706 27.6-163.1 -86.0 146.6 3.1 -9.1 14.6 133 136 A F E -G 252 0A 29 -2,-0.3 119,-0.2 119,-0.2 131,-0.0 -0.980 14.0-132.3-122.0 145.9 6.2 -9.7 12.4 134 137 A T - 0 0 6 117,-2.0 127,-0.1 -2,-0.4 3,-0.1 -0.238 50.3 -66.5 -74.4 172.8 7.0 -12.9 10.7 135 138 A S S S- 0 0 41 125,-0.3 116,-0.4 1,-0.1 -1,-0.2 -0.306 73.1 -91.1 -50.0 146.7 10.5 -14.5 10.9 136 139 A P - 0 0 33 0, 0.0 114,-0.3 0, 0.0 -1,-0.1 -0.449 31.7-167.4 -73.5 144.0 12.8 -12.1 9.0 137 140 A F S S+ 0 0 6 112,-2.4 2,-0.3 1,-0.2 113,-0.1 0.489 77.7 16.6-101.1 -6.5 13.5 -12.6 5.3 138 141 A F E -K 249 0D 39 111,-0.9 111,-2.7 2,-0.0 2,-0.3 -0.953 66.7-147.6-157.8 159.0 16.5 -10.2 5.2 139 142 A S E +K 248 0D 61 -2,-0.3 2,-0.3 109,-0.3 109,-0.2 -0.998 18.9 174.5-135.8 141.7 18.8 -8.6 7.8 140 143 A T E -K 247 0D 11 107,-2.7 107,-2.4 -2,-0.3 2,-0.1 -0.979 24.6-139.9-152.7 142.0 20.6 -5.2 7.7 141 144 A S E - 0 0 18 -2,-0.3 81,-2.9 105,-0.3 82,-0.5 -0.480 39.9-104.9 -75.2 160.0 22.7 -2.9 9.7 142 145 A L E -KL 244 221D 4 102,-3.0 102,-0.7 79,-0.3 2,-0.3 -0.571 47.7-164.4 -70.3 156.0 22.0 0.8 9.5 143 146 A G E - L 0 220D 2 77,-3.0 77,-1.8 -2,-0.2 2,-0.4 -0.852 20.3-126.9-138.3 175.3 24.6 2.5 7.3 144 147 A I E - L 0 219D 0 96,-0.5 96,-2.2 -2,-0.3 2,-0.4 -0.994 19.1-153.0-131.7 120.1 26.1 6.0 6.5 145 148 A L E +ML 239 218D 0 73,-2.9 73,-1.9 -2,-0.4 2,-0.3 -0.806 25.7 158.2 -95.2 128.8 26.3 7.2 2.9 146 149 A V E -M 238 0D 0 92,-2.8 92,-2.4 -2,-0.4 2,-0.3 -0.890 40.7 -94.3-137.9 175.2 28.9 9.7 2.0 147 150 A R E > -M 237 0D 32 69,-0.4 3,-2.0 -2,-0.3 90,-0.3 -0.659 45.7 -98.8 -88.8 148.7 30.8 11.0 -1.1 148 151 A T T 3 S+ 0 0 53 88,-2.6 3,-0.1 1,-0.3 -1,-0.1 -0.472 116.1 12.2 -57.7 133.3 34.2 9.6 -2.1 149 152 A R T 3 S+ 0 0 250 1,-0.1 -1,-0.3 -2,-0.1 3,-0.1 0.742 118.2 96.2 63.0 24.4 36.7 12.1 -0.8 150 153 A G S < S- 0 0 42 -3,-2.0 2,-0.2 1,-0.3 -1,-0.1 0.104 81.7 -6.1-110.0-133.6 33.9 13.7 1.2 151 154 A T - 0 0 26 65,-0.4 2,-0.4 -3,-0.1 -1,-0.3 -0.424 60.5-154.6 -66.2 132.2 32.9 13.2 4.8 152 155 A E + 0 0 147 -2,-0.2 2,-0.3 -3,-0.1 8,-0.1 -0.934 16.8 176.1-108.8 137.4 34.7 10.5 6.7 153 156 A L - 0 0 14 -2,-0.4 88,-0.1 -9,-0.1 3,-0.1 -1.000 31.4-149.9-145.5 137.1 33.0 8.9 9.7 154 157 A S - 0 0 67 -2,-0.3 88,-2.0 1,-0.3 2,-0.3 0.651 68.6 -77.8 -77.8 -17.4 34.0 6.0 12.0 155 158 A G S > S- 0 0 0 86,-0.3 3,-1.7 1,-0.1 -1,-0.3 -0.950 77.0 -34.0 143.7-163.3 30.4 5.0 12.6 156 159 A I T 3 S+ 0 0 0 86,-0.4 -1,-0.1 -2,-0.3 88,-0.0 0.641 131.2 57.2 -70.9 -11.9 27.4 6.2 14.7 157 160 A H T 3 S+ 0 0 92 4,-0.1 -1,-0.3 3,-0.0 5,-0.1 0.274 72.5 134.2-100.5 8.6 29.8 7.3 17.6 158 161 A D X> - 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0 0 1 -2,-0.3 26,-2.4 21,-0.2 2,-0.5 -0.707 45.8 -70.5-134.5-170.4 17.8 10.1 8.0 173 176 A V B > -o 198 0E 4 46,-0.5 3,-0.8 -2,-0.2 6,-0.5 -0.777 52.2-115.2 -92.2 128.9 14.3 9.2 6.7 174 177 A R T 3 S+ 0 0 99 24,-2.9 -80,-0.3 -2,-0.5 -79,-0.2 -0.215 92.9 12.1 -57.0 144.4 11.4 10.6 8.8 175 178 A E T 3 S+ 0 0 27 1,-0.2 -80,-2.2 -82,-0.1 -81,-0.3 0.810 101.0 120.7 55.1 39.0 9.1 8.1 10.6 176 179 A S S <> S- 0 0 0 -3,-0.8 4,-2.4 -82,-0.2 -1,-0.2 -0.732 80.6-104.4-121.6 174.9 11.4 5.2 10.0 177 180 A S H > S+ 0 0 1 -2,-0.2 4,-2.4 2,-0.2 5,-0.1 0.766 120.6 60.7 -71.8 -25.0 13.2 2.7 12.3 178 181 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 108.5 43.1 -64.3 -44.7 16.4 4.7 11.6 179 182 A E H > S+ 0 0 14 -6,-0.5 4,-3.1 2,-0.2 -2,-0.2 0.922 111.8 53.6 -64.8 -46.8 14.8 7.8 13.1 180 183 A D H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.918 109.2 51.3 -49.4 -49.6 13.3 5.8 16.0 181 184 A Y H X S+ 0 0 24 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.923 113.0 41.9 -57.2 -52.5 16.9 4.5 16.7 182 185 A V H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 8,-0.4 0.924 115.2 51.6 -64.1 -43.7 18.5 7.9 16.8 183 186 A R H < S+ 0 0 103 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.900 117.1 38.8 -56.6 -47.2 15.6 9.4 18.7 184 187 A Q H < S+ 0 0 104 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.896 128.3 31.5 -71.6 -44.6 15.8 6.6 21.4 185 188 A S H < S+ 0 0 55 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.819 131.4 23.6 -89.7 -33.5 19.6 6.3 21.5 186 189 A F X + 0 0 33 -4,-3.2 4,-2.6 -5,-0.3 3,-0.2 -0.614 63.6 173.2-137.6 73.4 20.9 9.8 20.8 187 190 A P H > S+ 0 0 71 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.778 81.3 48.2 -51.2 -40.7 18.2 12.4 21.7 188 191 A E H > S+ 0 0 151 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.865 111.7 49.9 -74.9 -35.8 20.4 15.5 21.1 189 192 A M H > S+ 0 0 7 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 108.8 54.2 -62.2 -42.2 21.7 14.1 17.8 190 193 A H H X S+ 0 0 24 -4,-2.6 4,-1.2 -8,-0.4 -2,-0.2 0.935 106.7 50.3 -55.7 -48.0 18.0 13.5 16.9 191 194 A E H < S+ 0 0 117 -4,-1.9 4,-0.4 1,-0.2 3,-0.4 0.902 111.0 49.1 -58.5 -42.8 17.2 17.2 17.6 192 195 A Y H < S+ 0 0 66 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.862 111.4 50.2 -61.7 -39.2 20.1 18.3 15.4 193 196 A M H >X S+ 0 0 1 -4,-2.1 3,-2.2 1,-0.2 4,-1.6 0.654 84.7 88.9 -73.4 -20.8 19.0 16.1 12.5 194 197 A R G >< S+ 0 0 147 -4,-1.2 3,-0.6 -3,-0.4 -1,-0.2 0.884 88.0 48.9 -51.8 -47.4 15.3 17.1 12.5 195 198 A R G 34 S+ 0 0 200 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.635 117.3 44.1 -68.7 -12.3 15.9 20.0 10.0 196 199 A Y G <4 S+ 0 0 35 -3,-2.2 -1,-0.2 -26,-0.2 -2,-0.2 0.572 84.9 111.5-108.8 -14.8 17.9 17.6 7.8 197 200 A N << - 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