==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 05-JUN-12 4FH2 . COMPND 2 MOLECULE: BETA-LACTAMASE SHV-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR E.A.RODKEY,F.VAN DEN AKKER . 266 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11378.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 14.3 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 . 1 0.4 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 . 7 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 1 0 0 1 2 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 1 0 0 1 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 . 2 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 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 26 A S 0 0 70 0, 0.0 254,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 145.5 36.3 31.6 9.9 2 27 A P - 0 0 32 0, 0.0 260,-0.1 0, 0.0 259,-0.1 -0.260 360.0 -69.3 -68.1 168.6 36.3 32.2 13.6 3 28 A Q > - 0 0 103 1,-0.1 4,-2.8 258,-0.1 5,-0.2 -0.259 57.8-103.3 -46.9 148.2 34.9 29.7 16.1 4 29 A P H > S+ 0 0 8 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.895 123.7 44.9 -50.1 -48.2 31.0 29.6 15.7 5 30 A L H > S+ 0 0 70 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.881 112.3 53.5 -63.8 -38.7 30.3 31.6 18.8 6 31 A E H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 111.9 45.2 -56.6 -47.6 33.1 34.1 17.7 7 32 A Q H X S+ 0 0 25 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.891 110.4 53.6 -66.4 -41.6 31.3 34.4 14.3 8 33 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.928 109.5 48.3 -60.3 -46.6 27.9 34.8 15.9 9 34 A K H X S+ 0 0 116 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.929 111.5 50.3 -57.6 -46.8 29.2 37.7 18.1 10 35 A L H X S+ 0 0 74 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.899 108.0 53.7 -57.3 -43.5 30.7 39.3 15.0 11 36 A S H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.917 108.0 50.3 -58.8 -44.6 27.4 39.0 13.2 12 37 A E H X>S+ 0 0 34 -4,-2.1 4,-1.6 1,-0.2 5,-1.3 0.936 113.3 44.2 -57.4 -51.5 25.6 40.8 16.0 13 38 A S H <5S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.854 116.8 46.6 -65.1 -35.9 28.0 43.7 16.1 14 39 A Q H <5S+ 0 0 128 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.884 118.3 40.2 -75.2 -37.5 28.0 44.0 12.4 15 40 A L H <5S- 0 0 7 -4,-2.7 228,-0.5 -5,-0.2 -2,-0.2 0.677 96.8-136.8 -80.6 -18.6 24.3 43.7 11.9 16 41 A S T <5S+ 0 0 89 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.938 72.3 99.2 51.2 49.0 23.5 45.9 14.9 17 42 A G S -A 232 0A 35 5,-2.8 4,-2.3 -2,-0.4 207,-0.2 -0.599 23.3-149.3 -70.2 125.6 22.5 16.7 17.7 26 51 A L T 4 S+ 0 0 23 205,-2.7 -1,-0.2 -2,-0.4 206,-0.1 0.920 91.6 49.2 -65.2 -44.0 19.6 15.2 15.7 27 52 A A T 4 S+ 0 0 86 204,-0.5 -1,-0.2 1,-0.2 205,-0.1 0.913 128.9 16.3 -60.8 -48.4 20.0 11.7 17.2 28 53 A S T 4 S- 0 0 68 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.654 91.2-123.4-107.0 -18.4 20.2 12.6 20.9 29 54 A G < + 0 0 19 -4,-2.3 -3,-0.1 1,-0.3 2,-0.1 0.468 54.0 157.8 82.0 2.2 18.9 16.2 21.3 30 55 A R - 0 0 158 -6,-0.1 -5,-2.8 1,-0.1 2,-0.6 -0.355 43.0-126.7 -60.1 135.6 22.2 17.3 22.9 31 56 A T E +B 24 0A 71 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.798 33.4 171.8 -88.3 119.2 22.8 21.0 22.6 32 57 A L E + 0 0 38 -9,-3.1 2,-0.4 -2,-0.6 -8,-0.2 0.873 66.5 13.7 -96.3 -48.7 26.3 21.6 21.0 33 58 A T E S+B 23 0A 15 -10,-1.3 -10,-2.5 -29,-0.0 -1,-0.4 -0.985 70.2 178.2-130.8 141.1 26.4 25.4 20.4 34 59 A A E +B 22 0A 48 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.989 11.6 172.1-149.8 134.3 24.0 27.9 21.8 35 60 A W E S-B 21 0A 51 -14,-2.6 -14,-2.9 -2,-0.3 4,-0.1 -0.940 81.4 -19.0-146.0 120.5 23.6 31.7 21.7 36 61 A R S > S+ 0 0 75 -2,-0.3 3,-1.7 -16,-0.2 123,-0.1 0.864 83.5 159.9 50.0 39.1 20.6 33.5 23.1 37 62 A A T 3 + 0 0 13 1,-0.3 122,-2.5 121,-0.1 123,-0.5 0.725 68.6 45.5 -68.5 -20.2 18.9 30.1 22.9 38 63 A D T 3 S+ 0 0 137 120,-0.1 -1,-0.3 119,-0.1 2,-0.2 0.297 92.7 102.4-105.8 7.8 16.3 31.2 25.5 39 64 A E S < S- 0 0 68 -3,-1.7 2,-0.2 -4,-0.1 120,-0.1 -0.634 75.6-106.7 -92.3 152.3 15.5 34.6 23.9 40 65 A R + 0 0 82 -2,-0.2 117,-0.2 117,-0.2 110,-0.1 -0.552 37.0 173.1 -85.3 139.6 12.4 35.2 21.8 41 66 A F E -E 156 0B 0 115,-2.4 115,-2.4 -2,-0.2 2,-0.1 -0.995 39.7-100.8-140.4 141.6 12.5 35.7 18.0 42 67 A P E -E 155 0B 4 0, 0.0 113,-0.3 0, 0.0 196,-0.1 -0.403 27.0-148.0 -59.4 134.7 9.7 36.0 15.5 43 68 A M > + 0 0 4 111,-2.4 3,-1.8 101,-0.2 112,-0.1 0.850 26.5 174.3 -72.8 -36.5 9.1 32.7 13.6 44 69 A M G > S- 0 0 1 110,-0.5 3,-2.2 100,-0.4 4,-0.2 -0.256 73.2 -17.4 51.8-147.8 8.1 34.1 10.3 45 70 A C G > S+ 0 0 0 1,-0.3 3,-1.6 167,-0.2 4,-0.3 0.589 123.0 83.4 -66.0 -9.0 7.7 31.3 7.8 46 71 A T G X> S+ 0 0 0 -3,-1.8 3,-1.3 1,-0.3 4,-0.6 0.780 79.0 70.6 -60.7 -23.1 9.7 28.9 9.9 47 72 A F H <> S+ 0 0 1 -3,-2.2 4,-2.5 1,-0.2 3,-0.4 0.773 79.8 77.1 -60.2 -26.5 6.3 28.4 11.7 48 73 A K H <> S+ 0 0 0 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.753 86.3 58.1 -61.6 -23.8 5.2 26.5 8.6 49 74 A V H <> S+ 0 0 2 -3,-1.3 4,-1.7 -4,-0.3 -1,-0.2 0.939 109.4 44.1 -69.1 -44.1 7.2 23.4 9.7 50 75 A V H X S+ 0 0 2 -4,-0.6 4,-2.1 -3,-0.4 -2,-0.2 0.908 112.6 54.1 -63.1 -43.4 5.2 23.3 13.0 51 76 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.936 108.4 47.1 -53.9 -50.6 2.0 23.9 11.1 52 77 A C H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.839 108.0 57.4 -67.2 -29.6 2.6 21.0 8.7 53 78 A G H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.914 106.1 49.3 -60.4 -43.6 3.4 18.8 11.7 54 79 A A H X S+ 0 0 6 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.891 110.8 50.5 -64.2 -40.8 -0.0 19.6 13.2 55 80 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.933 109.6 50.1 -58.7 -49.0 -1.6 18.7 9.8 56 81 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.856 105.9 56.3 -60.6 -36.8 0.3 15.4 9.7 57 82 A A H X S+ 0 0 25 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.894 106.9 49.7 -61.3 -39.7 -0.9 14.7 13.3 58 83 A R H <>S+ 0 0 82 -4,-1.7 5,-2.7 2,-0.2 6,-0.9 0.895 109.8 51.4 -65.2 -39.4 -4.5 15.1 12.1 59 84 A V H ><5S+ 0 0 38 -4,-2.0 3,-1.5 4,-0.2 5,-0.2 0.944 109.8 49.2 -59.9 -49.2 -3.8 12.7 9.2 60 85 A D H 3<5S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 110.7 50.6 -56.3 -39.6 -2.3 10.1 11.6 61 86 A A T 3<5S- 0 0 70 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.436 117.7-112.7 -82.3 -1.7 -5.4 10.4 13.8 62 87 A G T < 5S+ 0 0 63 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.596 90.3 112.4 78.1 14.3 -7.7 9.9 10.8 63 88 A D S - 0 0 116 -2,-0.3 3,-1.2 1,-0.1 29,-0.4 -0.998 15.9-144.6-132.1 134.5 -6.2 13.3 4.4 66 91 A L T 3 S+ 0 0 24 -2,-0.4 29,-2.7 1,-0.2 30,-0.4 0.765 104.8 59.0 -60.6 -25.4 -3.3 14.8 2.4 67 92 A E T 3 S+ 0 0 138 27,-0.2 -1,-0.2 26,-0.2 2,-0.1 0.699 76.7 116.8 -76.4 -20.3 -5.3 13.9 -0.7 68 93 A R < - 0 0 98 -3,-1.2 26,-2.2 25,-0.1 2,-0.5 -0.280 63.6-134.7 -60.6 123.0 -8.3 16.1 0.4 69 94 A K E -F 93 0C 103 24,-0.3 2,-0.5 25,-0.1 24,-0.3 -0.685 15.5-156.8 -83.6 126.0 -8.8 18.8 -2.2 70 95 A I E -F 92 0C 20 22,-3.8 22,-2.3 -2,-0.5 2,-0.4 -0.881 2.4-159.8-102.8 125.5 -9.4 22.3 -0.7 71 96 A H + 0 0 117 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.859 18.5 174.1-102.6 140.4 -11.2 24.9 -2.8 72 97 A Y - 0 0 10 -2,-0.4 2,-0.3 15,-0.3 19,-0.1 -0.886 23.5-116.4-141.9 169.9 -10.7 28.5 -1.9 73 98 A R > - 0 0 164 -2,-0.3 3,-1.7 1,-0.1 4,-0.4 -0.745 26.2-114.6-113.9 159.2 -11.6 32.0 -3.1 74 99 A Q G > S+ 0 0 141 1,-0.3 3,-1.4 -2,-0.3 -1,-0.1 0.832 115.5 62.3 -58.5 -34.0 -9.6 35.0 -4.3 75 100 A Q G 3 S+ 0 0 161 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.667 96.5 60.3 -67.5 -16.8 -10.8 36.9 -1.3 76 101 A D G < S+ 0 0 75 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.633 85.1 105.0 -81.3 -15.7 -9.0 34.3 0.9 77 102 A L < - 0 0 43 -3,-1.4 2,-0.2 -4,-0.4 4,-0.1 -0.421 49.5-170.6 -75.4 139.5 -5.6 35.1 -0.6 78 103 A V - 0 0 49 -2,-0.1 30,-0.3 1,-0.1 2,-0.1 -0.631 43.1 -53.7-114.6 177.4 -3.0 37.2 1.2 79 104 A D S S+ 0 0 123 -2,-0.2 28,-0.1 1,-0.1 -1,-0.1 -0.336 115.3 21.7 -56.2 124.7 0.4 38.7 0.1 80 105 A Y + 0 0 91 -2,-0.1 27,-2.8 27,-0.1 28,-0.5 0.966 64.0 152.1 76.6 85.3 2.8 36.2 -1.5 81 106 A S > + 0 0 6 25,-0.2 4,-2.4 26,-0.2 5,-0.3 -0.463 4.6 162.1-137.6 58.7 0.8 33.2 -2.9 82 107 A P T 4 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.750 81.7 24.7 -61.2 -28.8 3.0 32.0 -5.8 83 108 A V T >4 S+ 0 0 32 2,-0.1 3,-1.3 -3,-0.1 4,-0.2 0.834 120.6 52.5 -99.6 -48.1 1.3 28.6 -5.9 84 109 A S G >4 S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 7,-0.1 0.827 100.0 62.9 -64.4 -31.9 -2.1 29.1 -4.4 85 110 A E G >< S+ 0 0 109 -4,-2.4 3,-0.6 1,-0.3 -1,-0.3 0.786 98.6 59.6 -64.9 -20.9 -3.0 32.0 -6.7 86 111 A K G < S+ 0 0 138 -3,-1.3 -1,-0.3 -5,-0.3 3,-0.2 0.552 101.4 53.5 -81.1 -7.0 -2.7 29.6 -9.6 87 112 A H G <> + 0 0 42 -3,-1.7 4,-2.0 -4,-0.2 -15,-0.3 -0.111 58.2 120.6-128.6 36.0 -5.4 27.2 -8.4 88 113 A L T <4 S+ 0 0 58 -3,-0.6 -16,-0.2 2,-0.2 -1,-0.1 0.842 86.3 42.3 -64.7 -34.2 -8.6 29.3 -7.8 89 114 A A T 4 S+ 0 0 99 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.940 129.0 22.5 -76.9 -50.3 -10.4 27.2 -10.3 90 115 A D T 4 S- 0 0 76 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.1 0.509 95.2-145.1-103.9 -8.0 -9.2 23.7 -9.4 91 116 A G < - 0 0 1 -4,-2.0 2,-0.3 -19,-0.1 -20,-0.2 -0.079 15.2 -93.8 72.3-174.8 -8.1 24.0 -5.8 92 117 A M E -F 70 0C 1 -22,-2.3 -22,-3.8 -4,-0.1 2,-0.1 -0.995 26.9-114.6-140.9 144.0 -5.2 22.2 -4.0 93 118 A T E > -F 69 0C 32 -2,-0.3 4,-2.6 -24,-0.3 -24,-0.3 -0.394 33.2-111.3 -69.3 156.0 -4.9 19.1 -1.9 94 119 A V H > S+ 0 0 0 -26,-2.2 4,-2.3 -29,-0.4 -28,-0.2 0.916 122.4 50.6 -51.6 -45.2 -4.0 19.4 1.7 95 120 A G H > S+ 0 0 13 -29,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.899 109.5 49.5 -61.4 -42.1 -0.6 17.8 0.8 96 121 A E H > S+ 0 0 85 -30,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.866 109.5 52.3 -63.3 -38.8 -0.1 20.3 -2.0 97 122 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.894 109.2 49.9 -64.9 -41.2 -0.9 23.1 0.4 98 123 A C H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.940 111.6 47.9 -60.9 -48.4 1.7 21.8 2.8 99 124 A A H X S+ 0 0 27 -4,-2.6 4,-2.7 1,-0.2 5,-0.5 0.914 112.5 48.8 -59.6 -43.2 4.3 21.5 0.0 100 125 A A H X S+ 0 0 3 -4,-2.6 6,-1.9 3,-0.2 4,-1.4 0.912 112.0 49.8 -65.0 -39.8 3.6 25.1 -1.1 101 126 A A H X S+ 0 0 0 -4,-2.5 4,-1.0 4,-0.2 -2,-0.2 0.965 122.0 31.0 -59.4 -55.4 3.8 26.4 2.4 102 127 A I H < S+ 0 0 0 -4,-2.7 108,-0.3 1,-0.2 89,-0.2 0.949 127.9 36.2 -74.0 -48.3 7.2 24.7 3.2 103 128 A T H < S+ 0 0 15 -4,-2.7 87,-2.4 -5,-0.3 88,-0.7 0.703 133.3 23.1 -83.9 -17.9 8.9 24.7 -0.2 104 129 A M H < S- 0 0 56 -4,-1.4 -3,-0.2 -5,-0.5 -1,-0.2 0.411 94.5-122.3-127.0 -2.9 7.6 28.0 -1.6 105 130 A S < - 0 0 0 -4,-1.0 2,-0.7 -5,-0.3 -4,-0.2 0.878 42.0-177.5 56.1 39.6 6.7 30.1 1.5 106 131 A D > - 0 0 0 -6,-1.9 4,-1.9 1,-0.2 -25,-0.2 -0.606 12.8-164.3 -74.3 112.1 3.2 30.4 0.1 107 132 A N H > S+ 0 0 3 -27,-2.8 4,-2.0 -2,-0.7 34,-0.3 0.840 85.0 48.6 -72.6 -35.6 1.4 32.5 2.7 108 133 A S H > S+ 0 0 2 -28,-0.5 4,-2.4 -30,-0.3 -1,-0.2 0.876 109.1 54.2 -71.7 -37.6 -2.2 31.8 1.6 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.931 108.4 50.4 -60.0 -42.6 -1.5 28.0 1.6 110 135 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.911 109.6 49.9 -63.0 -43.6 -0.3 28.4 5.2 111 136 A N H X S+ 0 0 20 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.882 108.7 52.4 -61.5 -40.3 -3.4 30.3 6.2 112 137 A L H X S+ 0 0 30 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.916 113.5 43.5 -60.7 -45.0 -5.6 27.6 4.6 113 138 A L H X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.886 108.6 58.5 -66.1 -39.6 -3.8 24.9 6.6 114 139 A L H ><>S+ 0 0 0 -4,-2.7 5,-3.1 1,-0.2 3,-0.6 0.875 102.5 54.9 -58.0 -39.4 -3.9 27.1 9.7 115 140 A A H ><5S+ 0 0 58 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.920 103.1 55.6 -55.9 -47.1 -7.7 27.1 9.5 116 141 A T H 3<5S+ 0 0 26 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.693 108.7 47.3 -63.4 -23.3 -7.8 23.2 9.4 117 142 A V T <<5S- 0 0 20 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.276 129.7 -89.0-101.3 9.2 -5.8 23.0 12.7 118 143 A G T <>5 - 0 0 53 -3,-1.6 4,-1.4 -4,-0.2 3,-0.3 0.700 65.1 -89.9 90.5 25.2 -7.9 25.6 14.6 119 144 A G H > S+ 0 0 10 0, 0.0 4,-2.4 0, 0.0 17,-0.4 0.865 141.1 53.2 -54.3 -39.4 -3.2 30.2 15.7 121 146 A A H > S+ 0 0 78 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.897 109.8 48.8 -65.8 -38.3 -4.8 29.1 19.0 122 147 A G H X S+ 0 0 20 -4,-1.4 4,-2.3 -3,-0.3 -1,-0.2 0.899 111.2 48.4 -65.0 -44.2 -5.1 25.6 17.7 123 148 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.888 111.5 50.8 -65.5 -35.6 -1.5 25.5 16.6 124 149 A T H X S+ 0 0 24 -4,-2.4 4,-2.3 13,-0.3 -2,-0.2 0.921 108.4 52.0 -67.9 -39.9 -0.4 26.8 20.0 125 150 A A H X S+ 0 0 58 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.913 108.3 52.2 -59.2 -40.1 -2.5 24.1 21.6 126 151 A F H X S+ 0 0 21 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.912 106.6 52.8 -61.1 -44.4 -0.6 21.6 19.4 127 152 A L H ><>S+ 0 0 1 -4,-2.2 5,-2.8 1,-0.2 3,-0.5 0.932 109.9 47.5 -57.8 -45.2 2.7 23.0 20.6 128 153 A R H ><5S+ 0 0 90 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.877 107.3 58.7 -63.4 -35.9 1.7 22.6 24.2 129 154 A Q H 3<5S+ 0 0 153 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.785 107.1 45.9 -62.8 -31.6 0.5 19.0 23.4 130 155 A I T <<5S- 0 0 8 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.259 127.9 -97.2 -97.6 11.6 4.1 18.1 22.2 131 156 A G T < 5S+ 0 0 40 -3,-1.4 2,-0.8 1,-0.2 -3,-0.2 0.621 80.5 133.9 87.4 14.3 5.7 19.7 25.2 132 157 A D < + 0 0 5 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.880 20.0 168.9 -96.2 108.1 6.6 23.1 23.8 133 158 A N S S+ 0 0 117 -2,-0.8 -1,-0.1 -3,-0.1 -5,-0.1 0.217 71.5 49.8-100.3 12.1 5.5 25.6 26.5 134 159 A V S S+ 0 0 47 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.775 83.5 84.1-117.9 -49.1 7.3 28.6 24.9 135 160 A T - 0 0 1 -8,-0.1 2,-0.4 22,-0.1 21,-0.2 -0.334 57.4-178.3 -64.3 139.8 6.6 28.8 21.2 136 161 A R - 0 0 79 19,-2.5 2,-0.5 16,-0.1 19,-0.4 -0.995 22.5-161.3-145.5 135.3 3.4 30.7 20.4 137 162 A L + 0 0 3 -17,-0.4 -13,-0.3 -2,-0.4 -14,-0.1 -0.988 21.0 158.8-113.6 129.8 1.4 31.6 17.3 138 163 A D + 0 0 58 -2,-0.5 2,-0.2 2,-0.1 -17,-0.2 0.676 56.9 39.4-117.2 -32.3 -1.1 34.4 17.7 139 164 A R - 0 0 33 -19,-0.1 2,-0.1 -20,-0.1 -1,-0.1 -0.657 69.7-117.5-123.3 171.6 -1.8 35.8 14.2 140 165 A W > - 0 0 98 -2,-0.2 4,-2.2 1,-0.1 2,-0.3 -0.438 57.3 -40.9 -95.8 172.3 -2.3 34.7 10.6 141 166 A E T 4 S+ 0 0 2 1,-0.3 -1,-0.1 -34,-0.3 -30,-0.0 -0.642 120.4 10.7 -68.6 137.0 -0.2 35.5 7.5 142 167 A T T >4 S+ 0 0 40 -2,-0.3 3,-1.9 -64,-0.1 -1,-0.3 -0.986 120.2 59.4-105.2 4.1 1.0 38.2 7.0 143 168 A E G >4 S+ 0 0 112 1,-0.3 3,-2.0 -3,-0.2 -2,-0.2 0.789 92.0 73.9 -59.5 -27.8 0.4 40.1 10.3 144 169 A L G 3< S+ 0 0 2 -4,-2.2 -100,-0.4 1,-0.3 3,-0.3 0.599 88.4 62.5 -64.6 -8.4 2.5 37.5 12.1 145 170 A N G < + 0 0 15 -3,-1.9 69,-2.7 -5,-0.2 -1,-0.3 0.370 67.8 107.8 -93.3 1.6 5.6 39.0 10.5 146 171 A E < - 0 0 82 -3,-2.0 -1,-0.2 67,-0.2 -2,-0.1 0.810 56.9-167.0 -55.2 -36.5 5.2 42.4 12.1 147 172 A A - 0 0 10 -3,-0.3 93,-0.2 -4,-0.2 -1,-0.1 0.867 8.3-171.0 52.1 47.9 8.2 41.8 14.5 148 173 A L > - 0 0 53 1,-0.1 3,-1.8 5,-0.1 -1,-0.2 -0.447 36.7 -91.7 -66.0 140.8 7.5 44.7 16.9 149 174 A P T 3 S- 0 0 75 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.328 107.8 -0.0 -57.2 130.7 10.3 45.2 19.4 150 175 A G T 3 S+ 0 0 79 1,-0.2 2,-0.5 -110,-0.1 -2,-0.1 0.423 93.0 140.5 72.6 1.0 9.6 43.2 22.6 151 176 A D < - 0 0 32 -3,-1.8 -1,-0.2 1,-0.1 -4,-0.0 -0.659 40.3-160.0 -80.7 121.9 6.4 41.8 21.3 152 177 A A > + 0 0 34 -2,-0.5 3,-1.0 -3,-0.1 -1,-0.1 0.540 53.2 117.9 -79.1 -7.9 6.0 38.1 22.3 153 178 A R T 3 S+ 0 0 85 1,-0.2 -6,-0.1 -16,-0.1 -16,-0.1 -0.365 82.5 2.6 -63.1 135.8 3.4 37.4 19.6 154 179 A D T 3 S+ 0 0 1 1,-0.2 -111,-2.4 -112,-0.1 -110,-0.5 0.828 102.2 136.9 63.8 37.6 4.3 34.8 17.0 155 180 A T E < +E 42 0B 1 -3,-1.0 -19,-2.5 -19,-0.4 2,-0.2 -0.750 32.3 178.9-115.7 159.7 7.7 34.0 18.6 156 181 A T E -E 41 0B 0 -115,-2.4 -115,-2.4 -2,-0.3 3,-0.1 -0.773 26.2-122.3-132.7-177.2 9.8 31.0 19.4 157 182 A T > - 0 0 5 -2,-0.2 4,-2.8 -117,-0.2 5,-0.3 -0.942 27.2-115.7-120.6 155.0 13.3 30.6 21.0 158 183 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.922 117.8 49.2 -52.9 -40.8 16.1 28.8 19.3 159 184 A A H > S+ 0 0 26 -122,-2.5 4,-2.1 2,-0.2 5,-0.2 0.911 113.4 45.2 -66.8 -42.3 16.1 26.1 22.0 160 185 A S H > S+ 0 0 18 -123,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.917 113.7 48.6 -67.9 -46.4 12.3 25.6 21.8 161 186 A M H X S+ 0 0 3 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.907 111.8 49.4 -60.5 -42.1 12.2 25.5 18.0 162 187 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.947 113.7 45.8 -63.3 -46.0 15.1 23.0 17.8 163 188 A A H X S+ 0 0 33 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.908 114.3 49.3 -61.0 -43.2 13.5 20.7 20.4 164 189 A T H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.919 109.9 49.5 -66.1 -42.0 10.2 21.0 18.7 165 190 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.921 111.8 49.8 -62.8 -41.4 11.6 20.2 15.2 166 191 A R H X>S+ 0 0 68 -4,-2.5 4,-2.5 -5,-0.2 5,-0.6 0.928 109.8 51.2 -62.1 -43.6 13.4 17.2 16.7 167 192 A K H X5S+ 0 0 41 -4,-2.6 4,-1.5 1,-0.2 6,-0.6 0.915 113.0 45.7 -58.8 -44.7 10.2 16.0 18.3 168 193 A L H <5S+ 0 0 1 -4,-2.5 6,-0.2 1,-0.2 -1,-0.2 0.871 119.6 38.4 -67.7 -38.3 8.3 16.3 15.0 169 194 A L H <5S+ 0 0 14 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.794 134.8 8.7 -85.4 -27.1 10.9 14.6 12.9 170 195 A T H <5S+ 0 0 51 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.566 97.6 85.7-133.4 -15.0 12.1 11.8 15.2 171 196 A S S < - 0 0 47 -2,-0.3 4,-2.8 -119,-0.2 5,-0.2 -0.168 36.4-102.3 -63.7 164.6 3.8 8.2 12.3 176 201 A A H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.933 123.5 46.4 -55.2 -48.8 6.7 6.8 10.3 177 202 A R H > S+ 0 0 186 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.858 112.6 49.9 -63.9 -39.2 5.2 8.0 7.0 178 203 A S H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 109.7 50.4 -67.6 -42.4 4.4 11.4 8.4 179 204 A Q H X S+ 0 0 31 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.917 112.6 47.9 -56.9 -44.7 7.9 11.9 9.8 180 205 A R H X S+ 0 0 172 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.886 111.7 50.2 -64.6 -39.6 9.3 11.0 6.4 181 206 A Q H X S+ 0 0 55 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.912 108.5 50.5 -66.2 -45.6 6.9 13.4 4.7 182 207 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.928 112.9 47.4 -61.2 -43.7 7.8 16.3 6.9 183 208 A L H X S+ 0 0 58 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.927 109.6 52.9 -59.1 -47.8 11.5 15.7 6.2 184 209 A Q H X S+ 0 0 89 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.890 105.0 54.7 -59.4 -40.7 10.9 15.4 2.5 185 210 A W H < S+ 0 0 12 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.922 110.4 46.5 -58.4 -44.1 9.1 18.8 2.4 186 211 A M H >< S+ 0 0 0 -4,-1.7 22,-1.8 1,-0.2 3,-1.5 0.904 110.1 52.8 -63.9 -40.5 12.1 20.4 4.0 187 212 A V H 3< S+ 0 0 34 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.854 107.5 55.0 -57.7 -35.2 14.4 18.6 1.6 188 213 A D T 3< S+ 0 0 50 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.312 74.7 144.8 -86.1 8.0 12.3 20.0 -1.2 189 214 A D < - 0 0 1 -3,-1.5 -86,-0.2 19,-0.2 -85,-0.1 -0.203 26.1-176.2 -51.4 129.6 12.6 23.7 -0.2 190 215 A R S S+ 0 0 141 -87,-2.4 -86,-0.2 3,-0.2 -1,-0.2 0.602 72.3 68.0-102.0 -16.3 12.8 25.9 -3.3 191 216 A V S S- 0 0 48 -88,-0.7 4,-0.1 -89,-0.2 -87,-0.1 0.965 128.5 -12.7 -68.4 -54.4 13.3 29.2 -1.5 192 217 A A S > S+ 0 0 11 16,-0.1 4,-2.9 3,-0.1 5,-0.2 0.617 111.9 88.9-123.4 -23.1 16.8 28.6 -0.2 193 218 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.897 92.3 43.3 -49.7 -56.8 17.7 24.9 -0.6 194 219 A P H > S+ 0 0 65 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.885 115.9 49.3 -61.3 -39.3 19.2 25.0 -4.1 195 220 A L H > S+ 0 0 118 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.907 111.4 49.8 -63.4 -43.4 21.2 28.1 -3.3 196 221 A I H >X S+ 0 0 34 -4,-2.9 3,-1.1 1,-0.2 4,-0.9 0.940 109.4 51.1 -60.7 -46.6 22.5 26.6 -0.1 197 222 A R H >< S+ 0 0 101 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.880 102.2 61.8 -56.3 -39.2 23.5 23.4 -1.9 198 223 A S H 3< S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.732 113.3 35.2 -61.2 -26.8 25.4 25.5 -4.5 199 224 A V H << S+ 0 0 111 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.407 97.2 97.7-109.2 -0.8 27.7 26.9 -1.8 200 225 A L S << S- 0 0 29 -4,-0.9 3,-0.1 -3,-0.7 6,-0.0 -0.665 80.9-107.4 -83.8 145.0 28.0 23.8 0.5 201 226 A P > - 0 0 66 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.295 51.0 -80.0 -62.1 153.8 31.0 21.5 0.1 202 227 A A T 3 S+ 0 0 104 1,-0.2 25,-0.2 25,-0.0 3,-0.1 -0.227 117.0 32.2 -48.8 139.4 30.4 18.2 -1.6 203 228 A G T 3 S+ 0 0 29 1,-0.2 25,-3.3 23,-0.1 2,-0.6 0.365 83.4 128.2 93.2 -4.0 28.9 15.6 0.8 204 229 A W < - 0 0 42 -3,-1.5 2,-0.2 23,-0.2 -1,-0.2 -0.795 49.3-143.4 -95.7 118.8 26.8 18.0 3.0 205 230 A F E -C 225 0A 45 20,-2.9 20,-1.1 -2,-0.6 2,-0.4 -0.555 20.8-174.1 -70.2 134.3 23.1 17.2 3.5 206 231 A I E +C 224 0A 10 -2,-0.2 2,-0.3 18,-0.2 18,-0.2 -0.994 18.7 159.5-135.7 136.9 20.7 20.1 3.7 207 232 A A E +C 223 0A 0 16,-1.7 16,-2.7 -2,-0.4 2,-0.3 -0.969 26.3 157.4-139.2 143.7 17.0 20.4 4.4 208 233 A D E -C 222 0A 0 -22,-1.8 2,-0.3 -2,-0.3 14,-0.2 -0.992 38.6-148.2-159.2 160.4 15.5 23.7 5.5 209 234 A K E -C 221 0A 0 12,-2.3 12,-2.5 -2,-0.3 2,-0.2 -0.970 25.8-163.6-133.8 132.9 12.8 26.2 6.0 210 235 A T E -C 220 0A 5 -2,-0.3 2,-0.3 -108,-0.3 10,-0.2 -0.552 5.2-171.3-104.6 166.8 13.4 30.0 5.8 211 236 A G E -C 219 0A 0 8,-1.9 8,-2.1 56,-0.4 2,-0.3 -0.979 7.0-167.2-154.1 155.4 11.5 33.1 6.9 212 237 A A E +C 218 0A 6 -2,-0.3 6,-0.3 6,-0.2 -167,-0.2 -0.990 16.3 159.2-140.8 146.6 11.7 36.8 6.6 213 238 A G - 0 0 16 4,-2.6 3,-0.5 -2,-0.3 -67,-0.2 -0.732 40.6 -53.2-145.9-162.7 9.8 39.6 8.5 214 240 A E S > S+ 0 0 121 -69,-2.7 3,-2.2 -2,-0.2 26,-0.3 -0.263 107.0 28.2 -79.9 166.2 9.8 43.2 9.4 215 241 A R T 3 S- 0 0 135 1,-0.3 26,-1.4 24,-0.1 25,-0.5 0.785 137.2 -54.6 54.5 33.5 12.6 45.2 11.1 216 242 A G T 3 S+ 0 0 11 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.392 86.5 164.7 87.4 -2.7 15.3 42.9 9.7 217 243 A A < + 0 0 0 -3,-2.2 -4,-2.6 -72,-0.1 2,-0.3 -0.223 7.3 159.7 -55.8 132.8 13.7 39.7 11.0 218 244 A R E +CD 212 238A 23 20,-1.9 20,-2.8 -6,-0.3 2,-0.3 -0.984 8.5 168.2-153.9 146.3 15.3 36.7 9.2 219 245 A G E -CD 211 237A 1 -8,-2.1 -8,-1.9 -2,-0.3 2,-0.3 -0.998 18.3-165.9-164.5 158.0 15.5 33.0 10.1 220 246 A I E -CD 210 236A 21 16,-2.3 16,-2.5 -2,-0.3 2,-0.4 -0.986 5.1-164.8-146.1 138.3 16.3 29.5 9.1 221 247 A V E +CD 209 235A 0 -12,-2.5 -12,-2.3 -2,-0.3 2,-0.3 -0.997 32.0 167.5-117.6 131.3 15.6 26.1 10.6 222 248 A A E -CD 208 234A 7 12,-2.2 12,-2.5 -2,-0.4 2,-0.4 -0.969 40.6-137.3-145.2 155.2 17.7 23.4 9.0 223 249 A L E +CD 207 233A 2 -16,-2.7 -16,-1.7 -2,-0.3 2,-0.3 -0.971 38.6 170.9-110.6 133.9 19.0 19.8 9.1 224 250 A L E +CD 206 232A 13 8,-2.6 8,-3.0 -2,-0.4 7,-1.4 -0.984 7.6 136.0-144.5 145.7 22.7 19.6 8.2 225 251 A G E -C 205 0A 0 -20,-1.1 -20,-2.9 -2,-0.3 3,-0.3 -0.843 41.6-105.5 177.2 155.9 25.6 17.1 8.2 226 252 A P S > S+ 0 0 21 0, 0.0 3,-1.4 0, 0.0 -22,-0.2 -0.202 95.3 44.7 -74.4 174.4 28.6 15.6 6.4 227 254 A N T 3 S- 0 0 141 1,-0.2 -23,-0.2 -25,-0.2 3,-0.1 0.831 128.9 -74.8 54.2 34.6 28.6 12.2 4.7 228 255 A N T 3 S+ 0 0 118 -25,-3.3 2,-0.4 -3,-0.3 -1,-0.2 0.737 103.3 123.2 53.4 32.4 25.2 13.0 3.2 229 256 A K S < S- 0 0 113 -3,-1.4 2,-0.9 -26,-0.3 -24,-0.3 -0.961 70.8-119.4-127.1 135.7 23.4 12.5 6.5 230 257 A A + 0 0 22 -2,-0.4 -5,-0.2 1,-0.2 3,-0.1 -0.652 48.4 157.0 -70.1 104.9 21.2 14.8 8.6 231 258 A E + 0 0 41 -7,-1.4 -205,-2.7 -2,-0.9 -204,-0.5 0.776 53.2 26.9-102.4 -38.5 23.4 15.0 11.7 232 259 A R E -AD 25 224A 11 -8,-3.0 -8,-2.6 -207,-0.2 2,-0.5 -0.950 61.2-133.4-133.4 146.7 22.4 18.3 13.3 233 260 A I E -AD 24 223A 0 -209,-2.7 -209,-2.9 -2,-0.3 2,-0.5 -0.863 26.8-169.3 -87.0 130.0 19.5 20.7 13.7 234 261 A V E -AD 23 222A 10 -12,-2.5 -12,-2.2 -2,-0.5 2,-0.5 -0.993 5.2-176.1-123.6 125.5 20.7 24.3 13.2 235 262 A V E +AD 22 221A 0 -213,-2.4 -213,-2.1 -2,-0.5 2,-0.4 -0.983 4.8 175.7-121.1 125.9 18.3 27.1 14.1 236 263 A I E +AD 21 220A 5 -16,-2.5 -16,-2.3 -2,-0.5 2,-0.3 -0.988 1.8 178.3-135.4 124.3 19.3 30.7 13.4 237 264 A Y E -AD 20 219A 0 -217,-2.6 -217,-2.6 -2,-0.4 2,-0.3 -0.934 7.7-167.3-120.6 147.6 17.2 33.8 13.9 238 265 A L E +AD 19 218A 2 -20,-2.8 -20,-1.9 -2,-0.3 2,-0.3 -0.969 13.6 171.4-125.6 144.1 18.0 37.5 13.4 239 266 A R E +A 18 0A 12 -221,-2.0 -221,-2.1 -2,-0.3 -23,-0.1 -0.985 51.3 21.2-148.9 157.7 15.9 40.4 14.6 240 267 A D S S+ 0 0 58 -25,-0.5 -24,-0.2 -26,-0.3 -1,-0.1 0.868 79.2 131.9 54.9 48.7 16.0 44.2 14.9 241 268 A T - 0 0 4 -26,-1.4 -1,-0.2 -224,-0.2 -225,-0.1 -0.987 51.1-151.6-125.4 140.7 18.7 44.9 12.4 242 269 A P + 0 0 118 0, 0.0 -26,-0.1 0, 0.0 -226,-0.1 0.395 55.3 131.0 -89.3 7.1 18.5 47.6 9.6 243 270 A A - 0 0 21 -228,-0.5 -2,-0.1 1,-0.1 -228,-0.1 -0.133 65.0 -97.2 -64.3 149.7 20.8 45.5 7.4 244 271 A S > - 0 0 54 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.211 32.6-113.9 -53.0 151.1 20.1 44.7 3.7 245 272 A M H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 118.2 57.0 -54.0 -42.9 18.6 41.3 3.0 246 273 A A H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 108.5 43.9 -57.9 -44.6 21.9 40.5 1.2 247 274 A E H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.855 111.8 53.2 -72.6 -34.2 24.0 41.1 4.3 248 275 A R H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.926 112.2 46.0 -60.2 -45.8 21.5 39.3 6.6 249 276 A N H X S+ 0 0 60 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.913 112.6 50.7 -61.9 -43.8 21.8 36.3 4.2 250 277 A Q H X S+ 0 0 125 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.886 109.5 50.1 -63.7 -39.3 25.6 36.6 4.1 251 278 A Q H X S+ 0 0 27 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.912 111.3 47.7 -66.5 -43.7 25.8 36.8 7.9 252 279 A I H X S+ 0 0 22 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.944 112.0 51.1 -61.4 -45.6 23.6 33.6 8.4 253 280 A A H X S+ 0 0 59 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.879 107.7 54.0 -55.5 -40.5 25.8 31.9 5.7 254 281 A G H X S+ 0 0 18 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.861 106.8 49.6 -64.2 -37.8 28.9 33.0 7.7 255 282 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.950 112.1 49.5 -63.5 -47.5 27.6 31.4 10.8 256 283 A G H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.893 109.0 52.0 -54.5 -44.2 26.9 28.2 8.8 257 284 A A H X S+ 0 0 42 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.891 108.4 51.0 -61.7 -40.8 30.5 28.4 7.4 258 285 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.902 109.5 50.6 -63.5 -42.4 31.9 28.6 10.9 259 286 A L H < S+ 0 0 1 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.897 114.1 44.0 -61.5 -42.4 29.8 25.6 11.9 260 287 A I H >< S+ 0 0 38 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.931 113.9 49.5 -68.7 -47.2 31.1 23.6 8.9 261 288 A E H 3< S+ 0 0 113 -4,-3.0 3,-0.2 1,-0.3 -2,-0.2 0.841 122.4 34.3 -59.3 -36.2 34.7 24.7 9.4 262 289 A H T 3< S+ 0 0 36 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 -0.143 83.0 127.3-112.4 36.9 34.6 23.8 13.1 263 290 A W < + 0 0 16 -3,-1.4 2,-2.0 1,-0.2 -1,-0.2 0.849 45.5 82.8 -63.7 -41.9 32.3 20.8 12.8 264 291 A Q 0 0 195 1,-0.2 -1,-0.2 -3,-0.2 -4,-0.0 -0.411 360.0 360.0 -79.7 76.6 34.3 18.1 14.6 265 292 A R 0 0 113 -2,-2.0 -1,-0.2 0, 0.0 -2,-0.1 0.348 360.0 360.0-160.5 360.0 33.5 18.7 18.3 266 ! 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 0.0 267 303 A X 0 0 80 0, 0.0 -56,-0.4 0, 0.0 -48,-0.1 0.000 360.0 360.0 360.0 360.0 10.5 34.5 2.9