==== 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 TRANSFERASE 26-JUL-05 2AFW . COMPND 2 MOLECULE: GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.F.HUANG,Y.L.LIU,W.J.CHENG,T.P.KO,A.H.J.WANG . 648 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 429 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 6.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 51 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.3 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 2 0 2 0 0 2 2 0 2 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 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 PARALLEL BRIDGES PER LADDER . 4 0 0 2 0 0 0 0 1 0 1 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 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 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 33 A A 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 91.5 -6.6 -32.6 36.7 2 34 A S - 0 0 90 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.000 360.0-152.5 -49.1 140.1 -9.0 -32.2 33.6 3 35 A A > + 0 0 55 1,-0.2 3,-2.3 2,-0.1 4,-0.4 0.099 58.1 122.0 -99.3 22.3 -7.7 -30.5 30.5 4 36 A W G > + 0 0 16 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.846 64.3 64.9 -58.3 -32.8 -11.2 -29.3 29.5 5 37 A P G 3 S+ 0 0 28 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.648 97.6 58.5 -64.4 -10.4 -10.1 -25.7 29.5 6 38 A E G X> S+ 0 0 98 -3,-2.3 3,-1.3 1,-0.2 4,-0.6 0.542 79.4 89.0 -89.9 -9.9 -7.8 -26.6 26.6 7 39 A E H X> S+ 0 0 76 -3,-2.1 3,-1.6 -4,-0.4 4,-1.2 0.876 77.9 63.5 -56.4 -36.9 -10.6 -27.8 24.4 8 40 A K H 34 S+ 0 0 30 -4,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.825 95.1 61.4 -58.0 -28.6 -11.2 -24.3 23.0 9 41 A N H <4 S+ 0 0 86 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.753 113.8 33.0 -70.5 -23.5 -7.7 -24.5 21.5 10 42 A Y H << S+ 0 0 166 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.454 87.0 128.2-109.5 -5.7 -8.6 -27.5 19.3 11 43 A H < - 0 0 20 -4,-1.2 -3,-0.0 -3,-0.2 310,-0.0 -0.304 38.5-167.2 -59.6 131.0 -12.2 -26.7 18.6 12 44 A Q - 0 0 113 309,-0.1 2,-0.1 308,-0.0 -2,-0.1 -0.882 19.7-114.8-118.4 150.4 -13.1 -26.8 14.9 13 45 A P - 0 0 24 0, 0.0 2,-0.8 0, 0.0 308,-0.2 -0.447 15.6-129.6 -81.5 160.2 -16.3 -25.6 13.3 14 46 A A - 0 0 38 306,-2.2 309,-0.1 305,-0.2 310,-0.1 -0.919 38.1-136.6-105.4 101.9 -18.8 -27.8 11.6 15 47 A I - 0 0 107 -2,-0.8 2,-0.3 1,-0.1 302,-0.0 -0.316 7.9-124.0 -70.4 135.2 -19.1 -25.9 8.3 16 48 A L - 0 0 19 -2,-0.1 -1,-0.1 300,-0.1 2,-0.1 -0.561 21.6-134.7 -79.4 138.2 -22.5 -25.3 6.7 17 49 A N > - 0 0 108 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.270 36.1 -88.6 -81.6 176.5 -23.0 -26.4 3.1 18 50 A S H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.867 126.2 51.7 -56.6 -41.6 -24.7 -24.3 0.4 19 51 A S H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 111.9 47.6 -63.6 -38.9 -28.2 -25.3 1.2 20 52 A A H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.886 109.7 52.8 -68.8 -37.4 -27.7 -24.6 4.9 21 53 A L H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.923 108.5 50.5 -65.4 -41.4 -26.2 -21.2 4.1 22 54 A R H X S+ 0 0 116 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.915 108.7 53.2 -61.2 -39.9 -29.2 -20.3 1.9 23 55 A Q H X S+ 0 0 105 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.942 110.6 45.6 -61.2 -44.3 -31.4 -21.3 4.8 24 56 A I H X S+ 0 0 10 -4,-2.3 4,-0.5 2,-0.2 3,-0.3 0.930 111.1 52.4 -66.2 -42.1 -29.7 -19.0 7.3 25 57 A A H >< S+ 0 0 4 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.920 114.0 43.9 -59.1 -42.1 -29.7 -16.1 4.8 26 58 A E H 3< S+ 0 0 155 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.730 105.9 64.3 -74.9 -17.8 -33.4 -16.6 4.3 27 59 A G H 3< S+ 0 0 37 -4,-1.4 2,-0.4 -3,-0.3 -1,-0.2 0.455 88.7 72.8 -89.5 -1.6 -34.1 -17.0 8.1 28 60 A T << - 0 0 11 -3,-0.7 2,-0.5 -4,-0.5 110,-0.1 -0.904 64.3-156.9-112.4 145.4 -33.1 -13.6 9.3 29 61 A S > - 0 0 35 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.927 11.0-169.4-127.6 109.9 -35.1 -10.5 8.7 30 62 A I H > S+ 0 0 17 -2,-0.5 4,-2.4 1,-0.2 -1,-0.1 0.861 91.5 52.6 -67.1 -32.2 -33.5 -7.1 8.8 31 63 A S H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.907 109.3 48.1 -70.4 -37.8 -36.9 -5.3 8.7 32 64 A E H > S+ 0 0 83 2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.920 113.4 48.6 -66.7 -41.1 -38.2 -7.3 11.7 33 65 A M H X>S+ 0 0 0 -4,-2.4 5,-2.7 3,-0.2 4,-2.3 0.938 109.8 53.5 -61.8 -43.9 -35.0 -6.6 13.6 34 66 A W H <>S+ 0 0 34 -4,-2.4 5,-2.5 3,-0.2 -2,-0.2 0.937 118.6 32.4 -56.2 -50.3 -35.3 -2.9 12.7 35 67 A Q H <5S+ 0 0 113 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.921 129.8 31.9 -76.4 -41.7 -38.8 -2.6 14.0 36 68 A N H <5S+ 0 0 39 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.777 132.0 19.6 -93.4 -26.5 -38.8 -5.0 16.9 37 69 A D T <5S+ 0 0 1 -4,-2.3 4,-0.2 -5,-0.5 -3,-0.2 0.771 125.7 38.2-113.6 -37.3 -35.3 -5.0 18.3 38 70 A L T >>4 - 0 0 57 64,-0.3 3,-2.2 1,-0.2 6,-0.4 -0.328 62.3 -66.8 -71.2 158.1 -26.8 6.4 29.8 47 79 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 -0.176 121.2 11.0 -52.4 133.0 -26.2 4.5 33.1 48 80 A G T 3 S+ 0 0 29 1,-0.3 -2,-0.1 -3,-0.1 40,-0.1 0.307 98.4 125.8 84.8 -7.4 -28.9 5.1 35.8 49 81 A S S <> S- 0 0 8 -3,-2.2 4,-1.7 1,-0.1 3,-0.4 -0.323 76.3-112.1 -81.0 164.2 -31.2 6.9 33.4 50 82 A P H > S+ 0 0 111 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.857 120.2 57.6 -62.0 -30.5 -34.8 5.9 32.8 51 83 A G H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.824 99.1 57.3 -69.4 -32.8 -33.7 4.9 29.3 52 84 A S H > S+ 0 0 2 -3,-0.4 4,-2.4 -6,-0.4 -1,-0.2 0.942 109.0 46.5 -62.0 -44.7 -31.2 2.5 30.7 53 85 A Y H X S+ 0 0 137 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.937 113.2 48.5 -62.9 -44.2 -34.0 0.8 32.6 54 86 A A H X S+ 0 0 47 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.906 112.0 49.7 -62.5 -39.3 -36.3 0.7 29.5 55 87 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.921 110.9 49.1 -66.1 -43.4 -33.4 -0.7 27.3 56 88 A R H X S+ 0 0 37 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.924 112.0 48.7 -62.9 -42.4 -32.7 -3.4 29.9 57 89 A Q H X S+ 0 0 57 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.918 111.6 50.2 -64.1 -39.5 -36.5 -4.3 30.0 58 90 A H H X S+ 0 0 21 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.941 111.0 47.5 -62.5 -49.4 -36.6 -4.4 26.3 59 91 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.942 115.0 46.1 -60.1 -45.2 -33.6 -6.7 26.0 60 92 A M H X S+ 0 0 27 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.914 112.8 49.6 -65.3 -42.6 -34.9 -9.1 28.7 61 93 A Q H X S+ 0 0 113 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.886 108.9 52.3 -63.5 -40.7 -38.4 -9.2 27.2 62 94 A R H < S+ 0 0 37 -4,-2.5 -1,-0.2 -5,-0.2 4,-0.2 0.864 114.1 42.5 -66.5 -34.4 -37.2 -9.9 23.7 63 95 A I H >< S+ 0 0 2 -4,-1.7 3,-1.8 -5,-0.2 7,-0.2 0.919 109.8 58.4 -75.9 -39.2 -35.1 -12.8 25.0 64 96 A Q H 3< S+ 0 0 125 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.783 98.0 59.6 -61.7 -30.4 -37.8 -14.1 27.3 65 97 A R T 3< S+ 0 0 149 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.1 0.593 87.6 98.7 -75.8 -8.7 -40.3 -14.5 24.5 66 98 A L S < S- 0 0 21 -3,-1.8 4,-0.1 -4,-0.2 74,-0.1 -0.374 75.3-130.2 -79.0 157.2 -38.0 -17.0 22.7 67 99 A Q S S+ 0 0 135 73,-0.1 -1,-0.1 -2,-0.1 73,-0.1 0.845 78.3 95.2 -74.2 -36.9 -38.4 -20.8 22.9 68 100 A A S S- 0 0 7 71,-0.2 2,-2.0 1,-0.1 79,-0.1 -0.177 91.3-102.9 -58.6 154.8 -34.8 -21.6 23.7 69 101 A D + 0 0 82 77,-0.2 27,-0.5 78,-0.1 -1,-0.1 -0.310 51.8 173.3 -81.7 58.4 -34.0 -22.1 27.4 70 102 A W - 0 0 26 -2,-2.0 2,-0.6 -7,-0.2 25,-0.2 -0.416 20.7-152.6 -69.9 135.6 -32.3 -18.7 28.1 71 103 A V E -A 94 0A 55 23,-2.3 23,-2.6 -2,-0.1 2,-0.4 -0.955 13.7-154.0-109.5 117.0 -31.4 -18.0 31.7 72 104 A L E +A 93 0A 38 -2,-0.6 2,-0.4 21,-0.2 21,-0.2 -0.756 15.0 178.3 -95.5 135.7 -31.4 -14.2 32.4 73 105 A E E -A 92 0A 106 19,-2.5 19,-2.8 -2,-0.4 2,-0.6 -0.999 18.8-149.4-133.7 138.4 -29.3 -12.7 35.1 74 106 A I E -A 91 0A 63 -2,-0.4 2,-0.9 17,-0.2 17,-0.2 -0.955 10.9-156.4-107.8 122.3 -28.9 -9.0 36.0 75 107 A D E -A 90 0A 8 15,-2.7 15,-2.7 -2,-0.6 2,-0.4 -0.835 18.0-177.0-102.9 96.2 -25.5 -8.2 37.4 76 108 A T E +A 89 0A 57 -2,-0.9 2,-0.3 13,-0.3 13,-0.2 -0.803 11.2 150.8-102.6 134.2 -26.0 -5.0 39.5 77 109 A F E -A 88 0A 5 11,-2.3 11,-2.6 -2,-0.4 2,-0.3 -0.970 37.4-112.6-154.6 166.0 -23.1 -3.3 41.2 78 110 A L E +A 87 0A 14 435,-2.4 2,-0.3 -2,-0.3 9,-0.2 -0.776 29.4 173.6-103.6 148.0 -21.7 0.0 42.5 79 111 A S E -A 86 0A 28 7,-2.2 7,-2.5 -2,-0.3 2,-0.2 -0.991 34.8-111.1-147.7 152.6 -18.7 1.9 41.2 80 112 A Q + 0 0 109 -2,-0.3 5,-0.2 5,-0.2 442,-0.0 -0.540 43.7 173.4 -74.4 149.5 -17.1 5.3 41.9 81 113 A T > - 0 0 9 -2,-0.2 3,-2.4 3,-0.2 93,-0.1 -0.887 51.9 -87.4-147.3 174.5 -17.4 7.6 38.9 82 114 A P T 3 S+ 0 0 61 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.717 131.5 49.5 -61.6 -18.7 -16.6 11.3 38.2 83 115 A Y T 3 S- 0 0 131 1,-0.4 2,-0.1 0, 0.0 -3,-0.0 0.141 123.4-100.3-105.4 18.4 -20.1 12.0 39.5 84 116 A G S < S- 0 0 26 -3,-2.4 -1,-0.4 2,-0.0 -3,-0.2 -0.398 73.4 -11.8 94.1-174.3 -19.7 9.9 42.7 85 117 A Y S S+ 0 0 129 -5,-0.2 2,-0.3 437,-0.2 -5,-0.2 -0.347 70.6 172.9 -64.2 135.6 -20.9 6.4 43.5 86 118 A R E -A 79 0A 55 -7,-2.5 -7,-2.2 436,-0.1 2,-0.3 -0.954 28.5-117.4-139.8 162.5 -23.4 5.1 40.9 87 119 A S E -A 78 0A 26 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.785 26.6-174.7-103.6 144.3 -25.2 1.8 40.2 88 120 A F E -A 77 0A 1 -11,-2.6 -11,-2.3 -2,-0.3 2,-0.4 -0.935 10.2-154.6-134.9 154.1 -24.8 -0.2 36.9 89 121 A S E -A 76 0A 10 -2,-0.3 -13,-0.3 -13,-0.2 2,-0.2 -0.892 2.8-163.2-138.5 106.9 -26.5 -3.4 35.6 90 122 A N E -A 75 0A 0 -15,-2.7 -15,-2.7 -2,-0.4 2,-0.5 -0.578 16.7-139.5 -80.8 151.4 -25.0 -5.8 33.2 91 123 A I E -AB 74 160A 0 69,-2.6 69,-2.9 -17,-0.2 2,-0.5 -0.953 19.0-174.0-113.1 125.7 -27.4 -8.2 31.4 92 124 A I E -AB 73 159A 10 -19,-2.8 -19,-2.5 -2,-0.5 2,-0.5 -0.977 4.9-173.4-123.9 128.9 -26.3 -11.8 31.0 93 125 A S E -AB 72 158A 0 65,-2.9 65,-3.0 -2,-0.5 2,-0.4 -0.976 13.5-177.2-122.4 120.1 -28.3 -14.3 29.0 94 126 A T E -AB 71 157A 5 -23,-2.6 -23,-2.3 -2,-0.5 2,-0.4 -0.951 23.8-154.0-129.6 135.8 -27.1 -17.9 29.0 95 127 A L S S+ 0 0 2 61,-2.8 -25,-0.1 -2,-0.4 4,-0.1 -0.872 88.8 3.6 -96.9 136.7 -28.1 -21.2 27.4 96 128 A N S > S- 0 0 47 -27,-0.5 3,-1.9 -2,-0.4 -1,-0.2 0.970 72.1-164.8 53.2 67.4 -27.0 -24.2 29.6 97 129 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.765 85.7 48.5 -52.0 -33.4 -25.5 -22.4 32.6 98 130 A T T 3 S+ 0 0 98 94,-0.1 -2,-0.1 93,-0.1 -3,-0.0 0.573 80.4 113.6 -89.2 -6.2 -23.7 -25.5 33.9 99 131 A A S < S- 0 0 6 -3,-1.9 55,-0.1 1,-0.1 56,-0.1 -0.386 71.0-132.2 -59.1 140.7 -22.2 -26.4 30.5 100 132 A K S S+ 0 0 48 53,-0.1 2,-0.4 1,-0.1 54,-0.2 0.850 83.0 43.4 -67.4 -36.2 -18.5 -26.0 31.0 101 133 A R E -c 154 0A 11 52,-2.2 54,-2.2 103,-0.1 2,-0.4 -0.881 61.6-178.2-116.8 142.4 -17.8 -24.0 27.9 102 134 A H E -cd 155 204A 11 101,-2.5 103,-2.4 -2,-0.4 104,-0.7 -1.000 25.5-138.9-137.5 141.4 -19.6 -21.1 26.2 103 135 A L E -cd 156 206A 0 52,-2.6 54,-2.2 -2,-0.4 2,-0.5 -0.829 35.4-150.2 -85.2 133.2 -19.1 -19.2 23.1 104 136 A V E -cd 157 207A 0 102,-2.6 104,-3.2 -2,-0.5 2,-0.4 -0.951 18.4-170.6-120.0 126.0 -19.9 -15.6 24.2 105 137 A L E +cd 158 208A 0 52,-2.4 54,-2.4 -2,-0.5 2,-0.3 -0.926 22.9 170.5-106.5 139.2 -21.3 -12.7 22.1 106 138 A A E +cd 159 209A 0 102,-2.6 104,-2.9 -2,-0.4 2,-0.3 -0.967 19.1 159.9-149.2 161.4 -21.3 -9.3 23.7 107 139 A C E -c 160 0A 0 52,-1.7 54,-3.0 -2,-0.3 2,-0.4 -0.920 42.3 -96.9-161.3 175.5 -21.8 -5.6 23.2 108 140 A H E -c 161 0A 1 102,-0.4 24,-0.2 -2,-0.3 54,-0.2 -0.894 22.7-168.4-104.6 141.5 -22.5 -2.6 25.5 109 141 A Y + 0 0 0 52,-2.7 53,-0.2 -2,-0.4 -1,-0.1 0.533 58.4 94.5-105.0 -7.2 -26.1 -1.4 25.9 110 142 A D - 0 0 0 51,-0.9 2,-0.4 -55,-0.0 -64,-0.3 -0.431 66.6-139.9 -75.1 157.6 -25.5 2.0 27.6 111 143 A S - 0 0 0 -66,-0.9 17,-0.1 -2,-0.1 52,-0.1 -0.914 31.2 -93.8-115.5 149.4 -25.3 5.1 25.5 112 144 A K - 0 0 15 15,-0.4 2,-0.3 -2,-0.4 -66,-0.1 -0.361 43.7-110.6 -63.6 134.9 -22.7 7.9 26.2 113 145 A Y + 0 0 80 53,-0.4 2,-0.3 -68,-0.1 -1,-0.1 -0.504 46.1 159.3 -71.7 130.4 -23.9 10.7 28.4 114 146 A F - 0 0 64 -2,-0.3 8,-0.2 8,-0.1 2,-0.1 -0.983 42.1-118.3-145.4 138.5 -24.4 14.1 26.7 115 147 A S - 0 0 79 -2,-0.3 2,-0.1 1,-0.1 7,-0.0 -0.491 54.9 -85.1 -71.1 150.5 -26.5 17.0 28.0 116 148 A H - 0 0 109 -2,-0.1 2,-0.6 5,-0.1 5,-0.2 -0.391 48.2-159.0 -61.4 133.2 -29.2 17.7 25.3 117 149 A W B > -F 120 0B 150 3,-1.7 3,-1.0 1,-0.2 -1,-0.1 -0.928 65.8 -23.6-122.1 110.5 -27.7 20.0 22.6 118 150 A N T 3 S- 0 0 109 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.933 123.9 -53.4 57.7 48.7 -30.1 22.1 20.5 119 151 A N T 3 S+ 0 0 167 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.616 111.9 123.1 62.9 15.0 -33.0 19.6 21.0 120 152 A R B < -F 117 0B 90 -3,-1.0 -3,-1.7 2,-0.0 2,-0.4 -0.854 44.3-160.5-107.4 147.9 -30.8 16.7 19.9 121 153 A V - 0 0 50 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.1 -0.970 21.7-118.9-126.2 140.4 -30.2 13.6 22.0 122 154 A F + 0 0 5 -2,-0.4 -77,-0.3 -8,-0.2 -8,-0.1 -0.658 34.8 167.2 -82.5 118.8 -27.4 11.1 21.6 123 155 A V - 0 0 23 -2,-0.6 -80,-0.3 174,-0.4 6,-0.2 0.393 36.8-135.7-111.6 1.6 -28.7 7.6 20.9 124 156 A G > + 0 0 0 170,-0.2 5,-2.3 4,-0.1 6,-0.3 0.909 28.3 179.8 47.8 60.0 -25.6 5.8 19.9 125 157 A A T >S+ 0 0 0 172,-2.2 5,-2.6 1,-0.2 3,-0.2 0.936 86.2 22.9 -61.3 -48.9 -27.1 4.0 16.9 126 158 A T T 5S+ 0 0 2 1,-0.2 87,-1.2 3,-0.2 86,-0.7 0.668 113.0 84.6 -85.5 -14.1 -23.9 2.2 15.9 127 159 A D T 5S- 0 0 0 85,-0.2 -15,-0.4 1,-0.2 -1,-0.2 -0.689 127.6 -55.7-128.0 78.9 -22.6 2.6 19.4 128 160 A S T >5S+ 0 0 0 -2,-0.4 4,-2.3 -3,-0.2 -1,-0.2 -0.703 117.9 95.7-132.5 50.5 -24.0 0.2 20.2 129 161 A A H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.917 111.7 50.8 -53.1 -42.4 -24.9 -4.5 18.0 132 164 A C H X S+ 0 0 0 -4,-2.3 4,-2.1 -24,-0.2 -2,-0.2 0.944 112.0 46.0 -58.5 -48.6 -27.6 -5.1 20.7 133 165 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.834 109.1 55.5 -64.3 -33.9 -30.2 -5.6 18.0 134 166 A M H X S+ 0 0 3 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.867 108.3 48.2 -65.9 -38.8 -28.0 -7.9 16.0 135 167 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.916 113.5 47.7 -68.0 -38.3 -27.5 -10.1 19.1 136 168 A L H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.904 112.5 48.5 -68.4 -41.6 -31.3 -10.1 19.7 137 169 A E H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.2 0.855 109.5 53.0 -66.9 -32.5 -32.0 -10.9 16.1 138 170 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.937 109.1 49.2 -67.2 -42.3 -29.5 -13.8 16.1 139 171 A A H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.913 116.8 43.3 -62.7 -40.6 -31.2 -15.2 19.2 140 172 A R H >< S+ 0 0 69 -4,-2.2 3,-1.5 2,-0.2 4,-0.3 0.959 114.6 46.8 -69.6 -51.7 -34.6 -15.0 17.4 141 173 A A H 3< S+ 0 0 26 -4,-3.3 3,-0.3 1,-0.3 -2,-0.2 0.839 120.2 39.3 -60.6 -35.6 -33.4 -16.2 14.0 142 174 A L T 3X S+ 0 0 3 -4,-2.4 4,-3.1 -5,-0.2 -1,-0.3 0.282 82.2 115.3 -97.6 12.0 -31.6 -19.2 15.4 143 175 A D H <> S+ 0 0 15 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.883 74.6 48.7 -52.0 -49.1 -34.2 -20.0 18.1 144 176 A K H > S+ 0 0 178 -4,-0.3 4,-0.8 -3,-0.3 -1,-0.2 0.922 115.6 44.4 -61.3 -40.1 -35.3 -23.4 16.8 145 177 A K H >4 S+ 0 0 62 -3,-0.2 3,-0.8 1,-0.2 4,-0.3 0.916 113.8 49.7 -68.4 -41.3 -31.7 -24.5 16.5 146 178 A L H >< S+ 0 0 1 -4,-3.1 3,-1.8 1,-0.2 4,-0.2 0.830 100.1 65.2 -66.5 -31.0 -30.7 -23.1 19.8 147 179 A L H >< S+ 0 0 55 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.806 90.9 67.4 -60.6 -28.0 -33.7 -24.8 21.5 148 180 A S T << S+ 0 0 85 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.679 86.0 67.9 -68.6 -15.1 -32.0 -28.1 20.6 149 181 A L T < 0 0 37 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.615 360.0 360.0 -77.4 -11.1 -29.2 -27.4 23.1 150 182 A K < 0 0 162 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.930 360.0 360.0 -62.0 360.0 -31.8 -27.8 25.9 151 ! 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 0.0 152 189 A P 0 0 145 0, 0.0 2,-2.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.4 -19.1 -31.1 23.1 153 190 A D + 0 0 64 -51,-0.0 -52,-2.2 -54,-0.0 2,-0.4 -0.431 360.0 124.8 -79.6 67.8 -20.1 -29.5 26.5 154 191 A L E + c 0 101A 13 -2,-2.3 -52,-0.2 -54,-0.2 2,-0.2 -0.988 28.6 155.3-137.6 132.0 -20.4 -26.2 24.8 155 192 A S E - c 0 102A 1 -54,-2.2 -52,-2.6 -2,-0.4 2,-0.3 -0.591 36.8 -82.6-139.1-158.9 -23.3 -23.7 24.6 156 193 A L E - c 0 103A 0 -54,-0.2 -61,-2.8 -2,-0.2 2,-0.3 -0.895 28.6-178.5-122.7 144.9 -24.0 -19.9 24.0 157 194 A Q E -Bc 94 104A 20 -54,-2.2 -52,-2.4 -2,-0.3 2,-0.4 -0.994 9.9-158.2-138.8 141.5 -24.0 -16.8 26.2 158 195 A L E -Bc 93 105A 0 -65,-3.0 -65,-2.9 -2,-0.3 2,-0.4 -0.966 8.2-166.8-115.9 137.2 -24.9 -13.2 25.4 159 196 A I E -Bc 92 106A 0 -54,-2.4 -52,-1.7 -2,-0.4 2,-0.6 -0.991 8.1-168.3-125.8 127.9 -23.6 -10.3 27.5 160 197 A F E -Bc 91 107A 0 -69,-2.9 -69,-2.6 -2,-0.4 -52,-0.2 -0.943 22.5-149.0-111.3 106.6 -24.9 -6.7 27.3 161 198 A F E - c 0 108A 0 -54,-3.0 -52,-2.7 -2,-0.6 -51,-0.9 -0.524 3.3-148.2 -80.5 138.1 -22.5 -4.5 29.3 162 199 A D S S+ 0 0 1 -2,-0.2 16,-1.5 -54,-0.2 17,-0.3 -0.636 76.0 22.2 -93.5 161.6 -23.6 -1.4 31.1 163 200 A G + 0 0 0 -2,-0.2 14,-2.4 14,-0.2 -1,-0.2 0.769 65.2 142.7 57.2 35.4 -21.3 1.5 31.5 164 201 A E + 0 0 5 -3,-0.3 12,-2.4 12,-0.3 -1,-0.1 0.919 58.1 75.2 -69.2 -37.1 -18.8 0.9 28.7 165 202 A E S S- 0 0 11 10,-0.2 12,-0.2 11,-0.1 2,-0.2 -0.357 86.9-113.6 -79.9 152.2 -18.7 4.7 28.0 166 203 A A - 0 0 5 1,-0.1 -53,-0.4 2,-0.1 4,-0.2 -0.520 14.9-139.1 -73.2 147.6 -16.8 7.3 30.1 167 204 A F S S+ 0 0 13 -2,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.807 97.8 14.4 -75.1 -30.6 -19.1 9.8 31.8 168 205 A L S S- 0 0 91 1,-0.3 2,-0.3 6,-0.1 -2,-0.1 0.284 129.8 -40.6-107.9-124.9 -16.6 12.5 30.8 169 206 A H S S- 0 0 168 1,-0.1 -1,-0.3 -4,-0.1 -2,-0.2 -0.808 86.9 -72.9-101.7 153.4 -13.8 11.8 28.2 170 207 A W + 0 0 133 -2,-0.3 5,-0.2 -4,-0.2 -1,-0.1 -0.047 62.9 154.8 -45.1 140.9 -12.2 8.4 28.3 171 208 A S - 0 0 33 3,-0.9 3,-0.2 -3,-0.1 -3,-0.1 -0.941 55.6-100.7-159.1 159.3 -9.7 7.7 31.1 172 209 A P S S+ 0 0 77 0, 0.0 3,-0.2 0, 0.0 -1,-0.0 0.832 122.5 38.2 -55.0 -37.1 -8.6 4.4 32.8 173 210 A Q S S+ 0 0 137 1,-0.2 2,-0.8 -3,-0.0 -3,-0.1 0.707 112.3 58.7 -89.5 -21.0 -10.9 4.9 35.8 174 211 A D S S+ 0 0 5 -3,-0.2 -3,-0.9 -5,-0.1 2,-0.2 -0.731 98.9 51.6-112.8 80.3 -13.9 6.4 33.9 175 212 A S S S+ 0 0 4 -2,-0.8 -10,-0.2 -3,-0.2 -11,-0.2 -0.845 87.1 37.6 170.3 162.0 -14.8 3.7 31.3 176 213 A L > + 0 0 6 -12,-2.4 4,-2.4 -2,-0.2 5,-0.3 0.793 60.0 156.8 50.7 41.2 -15.6 0.0 31.1 177 214 A Y H > S+ 0 0 2 -14,-2.4 4,-1.8 -12,-0.2 -14,-0.2 0.941 71.3 41.4 -61.7 -49.3 -17.5 -0.1 34.3 178 215 A G H > S+ 0 0 0 -16,-1.5 4,-2.7 2,-0.2 5,-0.2 0.895 117.5 44.8 -67.3 -43.8 -19.6 -3.1 33.5 179 216 A S H > S+ 0 0 0 -17,-0.3 4,-2.7 2,-0.2 5,-0.3 0.892 111.1 52.2 -72.7 -36.4 -16.9 -5.2 31.8 180 217 A R H X S+ 0 0 87 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.940 115.0 44.3 -63.6 -41.9 -14.3 -4.5 34.5 181 218 A H H X S+ 0 0 40 -4,-1.8 4,-2.3 -5,-0.3 -2,-0.2 0.947 116.2 44.0 -65.5 -47.8 -16.7 -5.6 37.1 182 219 A L H X S+ 0 0 8 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.869 110.7 54.0 -70.8 -37.8 -18.0 -8.7 35.3 183 220 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.927 112.1 45.4 -60.5 -41.6 -14.6 -9.9 34.2 184 221 A A H X S+ 0 0 38 -4,-1.7 4,-1.0 -5,-0.3 -2,-0.2 0.910 114.0 49.4 -67.9 -38.7 -13.4 -9.8 37.8 185 222 A K H >< S+ 0 0 91 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.947 113.5 45.1 -65.8 -47.3 -16.6 -11.5 39.0 186 223 A M H >< S+ 0 0 11 -4,-3.2 3,-1.4 1,-0.2 14,-1.4 0.886 109.0 56.5 -64.4 -35.6 -16.3 -14.3 36.4 187 224 A A H 3< S+ 0 0 31 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.730 111.8 43.8 -66.4 -24.2 -12.6 -14.8 37.1 188 225 A S T << S+ 0 0 33 -4,-1.0 215,-2.3 -3,-0.7 -1,-0.3 0.196 95.2 91.1-107.5 14.8 -13.4 -15.4 40.8 189 226 A T S < S- 0 0 36 -3,-1.4 11,-1.6 213,-0.2 12,-0.2 -0.933 76.8-126.6-111.5 116.1 -16.4 -17.7 40.3 190 227 A P B -G 199 0C 12 0, 0.0 9,-0.3 0, 0.0 4,-0.1 -0.328 32.1-130.6 -61.0 145.7 -15.7 -21.4 40.1 191 228 A H S S+ 0 0 13 7,-2.3 6,-0.1 2,-0.1 7,-0.1 -0.980 80.2 26.6-154.3 135.5 -17.0 -23.2 37.0 192 229 A P S > S- 0 0 33 0, 0.0 3,-2.3 0, 0.0 6,-0.2 0.658 113.6 -86.0 -69.9 171.2 -18.6 -25.6 36.5 193 230 A P T 3 S+ 0 0 98 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.198 117.2 22.0 -46.0 131.2 -20.4 -25.5 39.9 194 231 A G T 3 S+ 0 0 78 1,-0.3 218,-0.1 -4,-0.1 -3,-0.1 0.328 86.9 150.2 91.3 -6.4 -18.2 -27.3 42.5 195 232 A A < - 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