==== 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 SIGNALING PROTEIN 26-APR-00 1EWK . COMPND 2 MOLECULE: METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR N.KUNISHIMA,Y.SHIMADA,H.JINGAMI,K.MORIKAWA . 899 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 626 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 6.9 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 . 6 0.7 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 . 2 0.2 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 . 67 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.9 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 2 0 2 3 2 3 1 2 1 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 4 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 PARALLEL BRIDGES PER LADDER . 2 1 3 2 2 0 0 1 1 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 0 2 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 36 A R 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.9 14.6 -9.4 1.9 2 37 A S - 0 0 60 301,-0.0 70,-0.5 1,-0.0 2,-0.4 -0.208 360.0-162.0 -60.2 150.5 13.1 -7.4 -1.0 3 38 A V - 0 0 24 68,-0.1 2,-0.6 2,-0.0 68,-0.2 -0.989 14.3-139.5-140.9 127.8 15.0 -4.4 -2.3 4 39 A A E -A 70 0A 0 66,-2.2 66,-3.4 -2,-0.4 2,-0.3 -0.768 33.6-176.0 -87.8 121.1 13.7 -1.5 -4.4 5 40 A R E +A 69 0A 144 -2,-0.6 2,-0.3 296,-0.4 64,-0.2 -0.850 26.3 176.6-123.5 157.6 16.3 -0.6 -7.0 6 41 A M E -A 68 0A 32 62,-1.7 62,-2.9 -2,-0.3 2,-0.0 -0.903 30.5-131.5-153.0 119.7 16.9 2.0 -9.8 7 42 A D + 0 0 122 -2,-0.3 2,-0.3 60,-0.2 3,-0.1 -0.333 40.7 137.6 -76.0 159.4 20.2 1.9 -11.7 8 43 A G - 0 0 7 1,-0.1 58,-0.2 59,-0.1 3,-0.1 -0.967 64.2 -84.9 179.5 177.0 22.3 5.0 -12.2 9 44 A D S S+ 0 0 84 56,-1.0 2,-0.5 -2,-0.3 57,-0.2 0.893 117.3 31.1 -69.5 -40.3 25.9 6.4 -12.2 10 45 A V E S-b 66 0A 6 55,-1.9 57,-3.4 -3,-0.1 2,-0.5 -0.984 81.5-145.2-122.9 124.3 25.8 7.1 -8.5 11 46 A I E -bc 67 93A 13 81,-0.6 83,-3.0 -2,-0.5 84,-0.6 -0.784 8.8-162.9 -97.0 125.5 23.8 4.9 -6.1 12 47 A I E -bc 68 95A 0 55,-2.0 57,-1.8 -2,-0.5 84,-0.2 -0.895 11.5-145.5-105.9 126.0 22.1 6.3 -3.1 13 48 A G E -bc 69 96A 0 82,-3.1 84,-1.9 -2,-0.5 2,-0.3 -0.472 16.2-171.0 -85.9 161.1 20.9 3.9 -0.3 14 49 A A E -bc 70 97A 0 55,-1.7 57,-2.9 82,-0.3 2,-0.4 -0.992 15.3-156.8-152.3 147.8 17.8 4.5 1.8 15 50 A L E +b 71 0A 0 82,-2.5 2,-0.3 -2,-0.3 57,-0.2 -0.989 23.0 165.3-129.1 119.0 16.2 2.9 4.8 16 51 A F E -b 72 0A 0 55,-2.0 57,-2.5 -2,-0.4 2,-1.9 -0.938 46.7-109.3-131.3 155.3 12.5 3.3 5.3 17 52 A S + 0 0 2 22,-1.0 24,-0.2 -2,-0.3 22,-0.1 -0.508 47.1 161.4 -84.4 72.1 10.0 1.5 7.6 18 53 A V S S+ 0 0 0 -2,-1.9 18,-2.7 22,-0.2 23,-0.3 0.871 71.0 24.9 -59.9 -36.5 8.2 -0.4 4.9 19 54 A H B S-F 35 0B 18 -3,-0.3 16,-0.2 16,-0.3 15,-0.2 -0.854 94.6 -98.1-124.5 161.6 6.9 -2.8 7.5 20 55 A H - 0 0 44 14,-1.9 13,-2.3 -2,-0.3 55,-0.1 -0.313 58.2 -80.1 -71.0 163.2 6.2 -2.4 11.2 21 56 A Q - 0 0 46 11,-0.2 -1,-0.2 54,-0.2 13,-0.1 -0.182 57.9 -87.1 -63.4 158.0 8.8 -3.7 13.6 22 57 A P - 0 0 0 0, 0.0 10,-0.2 0, 0.0 5,-0.1 -0.299 51.6 -93.9 -64.4 148.0 9.0 -7.5 14.3 23 58 A P >> - 0 0 54 0, 0.0 3,-2.9 0, 0.0 4,-1.0 -0.401 44.8-103.1 -61.5 144.1 6.8 -8.7 17.2 24 59 A A T 34 S+ 0 0 38 177,-0.3 3,-0.4 1,-0.3 178,-0.0 0.778 124.1 49.0 -36.2 -39.4 8.8 -8.8 20.4 25 60 A E T 34 S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.695 107.7 53.2 -78.7 -21.2 9.1 -12.6 20.0 26 61 A K T X>>S+ 0 0 67 -3,-2.9 4,-1.0 1,-0.2 5,-1.0 0.514 76.1 100.9 -92.9 -5.4 10.2 -12.5 16.3 27 62 A V G ><5S+ 0 0 5 -4,-1.0 3,-0.8 -3,-0.4 -1,-0.2 0.864 77.9 56.4 -47.1 -45.0 13.1 -10.1 16.8 28 63 A P G 345S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.890 114.5 37.0 -58.4 -39.9 15.7 -13.0 16.7 29 64 A E G <45S- 0 0 113 -3,-0.8 -2,-0.2 -4,-0.2 -3,-0.1 0.450 106.2-131.4 -91.4 0.1 14.5 -14.2 13.3 30 65 A R T <<5 + 0 0 43 -4,-1.0 2,-0.6 -3,-0.8 -3,-0.2 0.879 45.7 160.8 51.7 48.6 13.9 -10.7 12.1 31 66 A K < - 0 0 114 -5,-1.0 -1,-0.2 -8,-0.2 -5,-0.1 -0.893 29.5-142.0 -99.3 116.7 10.4 -11.3 10.7 32 67 A a - 0 0 20 -2,-0.6 -11,-0.2 -10,-0.2 3,-0.1 -0.221 5.5-115.2 -81.8 168.1 8.6 -7.9 10.4 33 68 A G - 0 0 24 -13,-2.3 -1,-0.1 1,-0.2 2,-0.1 0.244 57.4 -37.7 -79.7-154.5 5.1 -6.8 11.0 34 69 A E - 0 0 117 -15,-0.2 -14,-1.9 -13,-0.1 -1,-0.2 -0.324 69.0 -87.1 -76.9 155.0 2.5 -5.5 8.5 35 70 A I B -F 19 0B 5 -16,-0.2 2,-0.3 272,-0.1 -16,-0.3 -0.145 41.9-149.6 -55.0 147.0 3.0 -3.2 5.6 36 71 A R > - 0 0 15 -18,-2.7 5,-2.3 1,-0.1 6,-0.1 -0.917 13.6-167.0-123.4 150.5 3.0 0.6 6.2 37 72 A E T >S+ 0 0 26 -2,-0.3 5,-2.8 3,-0.2 6,-0.5 0.889 83.9 35.7 -99.9 -66.8 1.9 3.5 4.0 38 73 A Q T 5S+ 0 0 37 1,-0.2 306,-0.1 4,-0.2 5,-0.1 0.914 132.3 30.9 -56.0 -46.1 3.0 6.9 5.4 39 74 A Y T 5S+ 0 0 5 -22,-0.1 -22,-1.0 3,-0.1 -1,-0.2 0.562 135.7 22.9 -90.0 -11.0 6.3 5.5 6.9 40 75 A G T >>5S+ 0 0 0 -22,-0.2 4,-2.3 -24,-0.1 3,-0.7 0.600 124.4 24.0-115.8 -91.6 6.8 2.8 4.2 41 76 A I H 3> S+ 0 0 0 -3,-0.7 4,-1.6 -6,-0.5 -1,-0.2 0.882 110.9 52.7 -75.0 -37.5 8.6 7.1 1.4 44 79 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.930 114.1 43.1 -61.9 -44.4 9.8 4.5 -1.0 45 80 A E H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.850 107.7 59.9 -69.9 -34.6 7.8 6.1 -3.8 46 81 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.838 105.8 49.5 -61.7 -33.2 8.9 9.6 -2.8 47 82 A M H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.942 111.6 47.1 -70.3 -49.3 12.5 8.5 -3.4 48 83 A F H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.944 115.2 47.5 -55.5 -50.2 11.7 7.1 -6.8 49 84 A H H X S+ 0 0 24 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.905 112.0 48.2 -59.2 -46.8 9.8 10.2 -7.7 50 85 A T H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.901 112.2 48.9 -64.2 -41.3 12.5 12.6 -6.5 51 86 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 15,-0.3 0.858 108.3 55.2 -66.9 -34.5 15.2 10.7 -8.3 52 87 A D H X S+ 0 0 59 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.966 111.6 43.6 -60.6 -52.2 13.1 10.8 -11.5 53 88 A K H >X S+ 0 0 72 -4,-2.2 3,-0.9 1,-0.2 4,-0.6 0.941 113.2 50.2 -58.4 -51.9 12.8 14.6 -11.3 54 89 A I H >< S+ 0 0 3 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.903 111.3 49.3 -55.0 -43.3 16.5 15.1 -10.4 55 90 A N H 3< S+ 0 0 54 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.711 111.5 49.8 -70.3 -18.4 17.5 12.9 -13.4 56 91 A A H << S+ 0 0 84 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.443 92.1 98.5 -96.1 -2.9 15.2 14.9 -15.6 57 92 A D << - 0 0 61 -3,-1.1 -3,-0.0 -4,-0.6 -4,-0.0 -0.754 57.8-162.0 -89.8 129.2 16.7 18.2 -14.3 58 93 A P S S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.786 87.1 46.4 -78.6 -31.9 19.3 19.7 -16.6 59 94 A V S S+ 0 0 118 2,-0.1 2,-0.7 1,-0.1 -5,-0.0 0.928 100.8 65.8 -78.9 -49.6 20.9 22.0 -14.0 60 95 A L S S- 0 0 14 1,-0.3 -3,-0.2 2,-0.1 4,-0.2 -0.681 129.4 -17.4 -81.7 114.9 21.3 19.7 -11.0 61 96 A L S > S- 0 0 5 -2,-0.7 3,-1.6 297,-0.1 -1,-0.3 0.972 80.7-159.7 53.7 62.0 23.8 16.9 -11.9 62 97 A P T 3 S+ 0 0 67 0, 0.0 312,-0.1 0, 0.0 -2,-0.1 0.854 79.0 10.0 -34.1 -73.1 23.7 17.5 -15.7 63 98 A N T 3 S+ 0 0 107 310,-0.8 2,-0.4 2,-0.0 312,-0.3 -0.233 108.7 94.9-112.4 45.7 25.0 14.3 -17.0 64 99 A I < - 0 0 6 -3,-1.6 2,-0.3 310,-0.2 310,-0.0 -0.943 60.1-152.9-136.3 110.2 25.1 12.2 -13.9 65 100 A T - 0 0 58 -2,-0.4 -55,-1.9 -9,-0.0 -56,-1.0 -0.667 10.9-136.0 -88.0 138.4 22.1 10.0 -13.1 66 101 A L E - b 0 10A 0 -2,-0.3 -55,-0.2 -15,-0.3 2,-0.2 -0.805 23.0-173.9 -95.0 127.1 21.2 9.1 -9.5 67 102 A G E - b 0 11A 0 -57,-3.4 -55,-2.0 -2,-0.5 2,-0.3 -0.470 7.5-147.4-106.6-177.2 20.3 5.5 -8.8 68 103 A S E -Ab 6 12A 3 -62,-2.9 -62,-1.7 -57,-0.2 2,-0.3 -0.990 23.1-160.8-153.9 160.7 19.1 3.9 -5.6 69 104 A E E -Ab 5 13A 27 -57,-1.8 -55,-1.7 -2,-0.3 2,-0.5 -0.843 25.8-167.3-142.5 94.8 19.0 0.8 -3.3 70 105 A I E -Ab 4 14A 0 -66,-3.4 -66,-2.2 -2,-0.3 2,-0.3 -0.801 8.2-174.5 -94.1 122.1 16.0 1.2 -1.0 71 106 A R E - b 0 15A 12 -57,-2.9 -55,-2.0 -2,-0.5 2,-0.4 -0.835 26.2-113.6-120.6 155.4 15.8 -1.2 1.9 72 107 A D E + b 0 16A 1 -70,-0.5 -55,-0.2 -2,-0.3 11,-0.2 -0.728 24.2 178.7 -88.1 128.1 13.3 -2.0 4.7 73 108 A S > - 0 0 1 -57,-2.5 3,-1.9 -2,-0.4 7,-0.6 0.590 26.3-147.1-100.7 -16.9 14.4 -1.1 8.2 74 109 A a T 3 - 0 0 0 -58,-0.7 -57,-0.2 1,-0.3 -41,-0.1 0.735 58.4 -82.9 52.9 24.3 11.1 -2.3 9.8 75 110 A W T 3 S+ 0 0 21 1,-0.2 2,-0.3 -54,-0.1 -1,-0.3 0.906 104.3 119.0 47.8 46.3 11.8 0.5 12.3 76 111 A H <> - 0 0 23 -3,-1.9 4,-3.1 1,-0.1 5,-0.3 -0.978 67.2-138.2-146.8 130.1 14.1 -1.9 14.1 77 112 A S H > S+ 0 0 34 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.841 103.7 51.1 -53.0 -40.3 17.9 -1.8 14.9 78 113 A S H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 114.9 40.3 -68.9 -44.5 18.4 -5.4 14.1 79 114 A V H > S+ 0 0 0 -6,-0.3 4,-2.6 2,-0.2 5,-0.2 0.927 116.0 52.3 -69.6 -42.0 16.7 -5.4 10.7 80 115 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 -7,-0.6 -2,-0.2 0.909 111.8 45.7 -59.1 -43.3 18.3 -2.0 9.9 81 116 A L H X S+ 0 0 4 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.887 110.2 54.5 -66.8 -39.3 21.8 -3.3 10.7 82 117 A E H X S+ 0 0 38 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.935 114.0 41.6 -58.7 -45.7 21.1 -6.5 8.7 83 118 A Q H X S+ 0 0 4 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.801 109.4 57.3 -73.4 -30.7 20.2 -4.3 5.7 84 119 A S H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.846 101.7 57.6 -68.8 -32.2 23.0 -1.9 6.3 85 120 A I H X S+ 0 0 9 -4,-1.9 4,-1.0 1,-0.2 3,-0.5 0.863 102.2 55.2 -64.0 -35.3 25.4 -4.8 6.1 86 121 A E H < S+ 0 0 57 -4,-0.9 3,-0.3 1,-0.2 -1,-0.2 0.842 99.1 62.0 -66.1 -32.4 24.0 -5.5 2.6 87 122 A F H < S+ 0 0 12 -4,-1.1 6,-0.6 1,-0.2 -1,-0.2 0.828 117.0 29.0 -61.9 -33.0 24.8 -1.9 1.6 88 123 A I H < 0 0 44 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.420 360.0 360.0-110.3 1.5 28.5 -2.6 2.1 89 124 A R < 0 0 200 -4,-1.0 -3,-0.0 -3,-0.3 -4,-0.0 -0.202 360.0 360.0 -56.2 360.0 28.8 -6.4 1.4 90 ! 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 91 154 A K 0 0 150 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 131.9 28.2 -0.2 -7.6 92 155 A P - 0 0 105 0, 0.0 -81,-0.6 0, 0.0 2,-0.2 -0.426 360.0-102.5 -73.9 147.0 29.1 1.0 -4.1 93 156 A I E -c 11 0A 14 -6,-0.6 -81,-0.2 1,-0.1 3,-0.1 -0.500 27.3-164.2 -69.1 129.7 26.7 3.0 -2.0 94 157 A A E - 0 0 12 -83,-3.0 2,-0.3 1,-0.3 -82,-0.2 0.852 66.9 -22.8 -83.7 -37.6 27.6 6.7 -2.1 95 158 A G E -c 12 0A 0 -84,-0.6 -82,-3.1 22,-0.2 2,-0.4 -0.965 62.1-120.5-163.8 168.8 25.4 7.8 0.9 96 159 A V E -cd 13 119A 0 22,-2.4 24,-2.6 -2,-0.3 2,-0.5 -0.969 7.6-148.7-128.6 142.1 22.3 6.7 2.8 97 160 A I E -cd 14 120A 0 -84,-1.9 -82,-2.5 -2,-0.4 24,-0.2 -0.920 52.1 -47.3-105.1 125.9 19.0 8.4 3.5 98 161 A G - 0 0 0 22,-2.6 2,-0.2 -2,-0.5 -82,-0.1 -0.527 10.8-154.4 98.5-169.6 17.4 7.4 6.8 99 162 A P - 0 0 0 0, 0.0 24,-0.3 0, 0.0 25,-0.3 0.627 34.3-139.9 -80.3 179.9 16.5 5.5 9.0 100 163 A G S S+ 0 0 1 -2,-0.2 2,-0.3 23,-0.1 -2,-0.1 0.751 75.1 74.3 -79.0 -26.8 13.7 7.3 10.8 101 164 A S S > S- 0 0 4 1,-0.1 4,-3.3 23,-0.1 23,-0.2 -0.694 71.5-139.0 -92.3 141.2 14.3 6.4 14.4 102 165 A S H > S+ 0 0 0 800,-1.8 4,-2.3 -2,-0.3 5,-0.2 0.933 106.3 46.9 -61.2 -46.7 17.1 8.0 16.4 103 166 A S H > S+ 0 0 35 799,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.951 116.8 43.9 -59.3 -50.1 18.0 4.6 18.1 104 167 A V H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.897 111.5 54.7 -62.4 -39.8 17.9 2.9 14.8 105 168 A A H X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 -1,-0.2 0.868 106.3 51.8 -61.6 -38.5 19.9 5.8 13.2 106 169 A I H X S+ 0 0 20 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.908 108.5 51.2 -64.7 -41.6 22.6 5.4 15.8 107 170 A Q H X S+ 0 0 8 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.923 114.3 43.5 -61.5 -45.3 22.9 1.7 15.0 108 171 A V H >X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 3,-1.0 0.925 112.5 51.2 -67.2 -45.7 23.2 2.4 11.3 109 172 A Q H 3X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 5,-0.2 0.859 101.3 63.1 -60.8 -36.8 25.6 5.3 11.7 110 173 A N H 3< S+ 0 0 12 -4,-2.2 -1,-0.3 -5,-0.2 4,-0.2 0.804 114.5 33.5 -59.1 -29.3 27.9 3.1 13.9 111 174 A L H X< S+ 0 0 5 -3,-1.0 3,-1.3 -4,-0.7 4,-0.5 0.894 116.4 53.0 -91.0 -49.5 28.4 0.8 10.9 112 175 A L H ><>S+ 0 0 0 -4,-2.9 5,-1.9 1,-0.3 3,-1.8 0.856 100.5 60.9 -55.4 -41.4 28.3 3.4 8.1 113 176 A Q G ><5S+ 0 0 12 -4,-2.4 3,-1.2 1,-0.3 -1,-0.3 0.794 95.0 64.6 -60.0 -25.6 31.0 5.6 9.5 114 177 A L G < 5S+ 0 0 21 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.744 109.3 38.4 -69.4 -22.5 33.4 2.7 9.4 115 178 A F G < 5S- 0 0 71 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.163 116.0-113.4-111.7 16.6 33.1 2.8 5.6 116 179 A D T < 5 + 0 0 64 -3,-1.2 -3,-0.2 1,-0.2 272,-0.2 0.860 62.5 153.9 54.2 42.5 33.0 6.6 5.3 117 180 A I < - 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