==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-JUN-11 3SI2 . COMPND 2 MOLECULE: GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.PARTHIER,D.CARRILLO,M.T.STUBBS . 322 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 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 . 2 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 . 2 0.6 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 . 23 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 2 1 0 1 0 0 1 1 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 A > 0 0 117 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 141.5 5.1 -34.9 -43.1 2 37 A W G > + 0 0 41 1,-0.2 3,-1.6 2,-0.2 4,-0.4 0.768 360.0 66.2 -73.3 -28.7 3.7 -31.8 -41.3 3 38 A T G 3 S+ 0 0 31 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.759 97.6 57.8 -60.4 -25.3 4.8 -32.8 -37.9 4 39 A Q G X S+ 0 0 91 -3,-0.9 3,-1.0 1,-0.2 4,-0.5 0.564 82.8 86.3 -83.8 -10.8 8.4 -32.4 -39.2 5 40 A E G X> S+ 0 0 74 -3,-1.6 3,-1.7 1,-0.3 4,-0.8 0.868 77.9 63.2 -62.4 -33.8 7.7 -28.7 -40.1 6 41 A K G >4 S+ 0 0 27 -3,-0.5 3,-0.6 -4,-0.4 -1,-0.3 0.841 97.0 61.3 -58.7 -30.6 8.7 -27.4 -36.7 7 42 A N G <4 S+ 0 0 51 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.699 114.6 30.3 -73.4 -17.7 12.1 -28.8 -37.3 8 43 A H G <4 S+ 0 0 121 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.345 87.4 132.5-119.0 5.5 12.7 -26.6 -40.3 9 44 A H << - 0 0 13 -4,-0.8 -3,-0.0 -3,-0.6 311,-0.0 -0.340 38.7-161.2 -68.1 134.7 10.6 -23.6 -39.3 10 45 A Q - 0 0 113 -2,-0.1 2,-0.2 310,-0.1 -2,-0.1 -0.895 16.3-117.9-118.2 146.8 12.4 -20.4 -39.7 11 46 A P - 0 0 18 0, 0.0 2,-0.9 0, 0.0 309,-0.2 -0.494 18.7-130.0 -80.7 154.2 11.5 -17.1 -38.1 12 47 A A - 0 0 33 307,-2.8 311,-0.2 306,-0.2 310,-0.1 -0.889 33.7-130.5-104.6 107.3 10.6 -14.1 -40.2 13 48 A H - 0 0 117 -2,-0.9 2,-0.4 1,-0.1 303,-0.0 -0.208 10.0-133.9 -64.5 141.1 12.8 -11.3 -38.9 14 49 A L - 0 0 17 1,-0.1 -1,-0.1 4,-0.1 2,-0.1 -0.748 19.6-133.6 -89.7 139.0 11.5 -7.9 -38.0 15 50 A N > - 0 0 100 -2,-0.4 4,-2.9 1,-0.1 3,-0.5 -0.309 37.8 -84.0 -82.9 177.2 13.3 -4.9 -39.2 16 51 A S H > S+ 0 0 73 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.777 128.0 48.4 -49.6 -37.3 14.2 -1.9 -37.2 17 52 A S H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.864 112.2 45.4 -76.9 -43.4 10.7 -0.3 -37.7 18 53 A S H > S+ 0 0 35 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.834 113.2 53.2 -71.0 -31.1 8.7 -3.4 -36.8 19 54 A L H X S+ 0 0 3 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.931 107.8 49.7 -68.3 -42.4 11.0 -3.8 -33.8 20 55 A Q H X S+ 0 0 96 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.906 109.6 52.5 -62.9 -43.8 10.3 -0.3 -32.7 21 56 A Q H X S+ 0 0 99 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.905 111.1 47.1 -49.1 -52.4 6.6 -1.0 -33.1 22 57 A V H >X S+ 0 0 3 -4,-2.3 3,-0.6 1,-0.2 4,-0.6 0.973 111.9 48.5 -64.0 -46.6 6.9 -4.0 -30.9 23 58 A A H >< S+ 0 0 6 -4,-3.1 3,-0.7 1,-0.2 -2,-0.2 0.900 116.3 44.9 -59.3 -35.9 8.9 -2.2 -28.3 24 59 A E H 3< S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.744 104.7 63.7 -76.7 -23.0 6.3 0.7 -28.3 25 60 A G H << S+ 0 0 34 -4,-1.8 2,-0.4 -3,-0.6 -1,-0.2 0.477 88.7 73.9 -89.9 -2.8 3.4 -1.5 -28.2 26 61 A T << - 0 0 11 -3,-0.7 2,-0.5 -4,-0.6 110,-0.1 -0.898 61.4-161.0-109.5 143.8 4.0 -3.2 -24.8 27 62 A S > - 0 0 29 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.965 8.8-165.6-125.2 114.3 3.3 -1.3 -21.6 28 63 A I H > S+ 0 0 31 -2,-0.5 4,-3.0 1,-0.2 -1,-0.1 0.869 92.5 51.9 -64.0 -34.6 5.0 -2.6 -18.4 29 64 A S H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.863 109.9 47.3 -77.7 -33.1 2.8 -0.5 -16.2 30 65 A E H >>S+ 0 0 92 2,-0.2 4,-2.9 1,-0.2 5,-0.6 0.939 114.0 48.4 -71.3 -42.2 -0.4 -1.7 -17.9 31 66 A M H X>S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-2.8 0.964 113.1 49.7 -57.0 -46.4 0.8 -5.2 -17.6 32 67 A W H <>S+ 0 0 30 -4,-3.0 5,-2.7 3,-0.2 -2,-0.2 0.922 118.6 35.8 -58.3 -51.9 1.6 -4.5 -13.9 33 68 A Q H <5S+ 0 0 102 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.953 130.9 27.4 -70.4 -45.7 -1.7 -3.0 -13.1 34 69 A N H <5S+ 0 0 68 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.751 132.7 21.8 -96.6 -24.4 -3.9 -5.1 -15.1 35 70 A D T <>4 - 0 0 60 64,-0.3 3,-2.3 66,-0.2 6,-0.4 -0.448 67.4 -66.2 -72.0 160.1 -1.7 -22.6 -4.6 45 80 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 -0.211 123.9 12.1 -57.4 134.7 -4.0 -25.2 -6.0 46 81 A G T 3 S+ 0 0 64 1,-0.3 -2,-0.1 -3,-0.1 40,-0.1 0.180 96.7 126.2 84.5 -13.9 -7.5 -25.3 -4.5 47 82 A S S X> S- 0 0 6 -3,-2.3 4,-1.3 1,-0.1 3,-0.9 -0.341 75.9-114.1 -69.0 156.0 -6.9 -21.9 -2.8 48 83 A P H 3> S+ 0 0 109 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.890 120.2 58.0 -49.7 -40.8 -9.4 -19.1 -3.4 49 84 A G H 3> S+ 0 0 7 -7,-0.4 4,-2.8 1,-0.2 -6,-0.2 0.770 96.2 62.0 -65.8 -29.7 -6.6 -17.3 -5.1 50 85 A S H <> S+ 0 0 3 -3,-0.9 4,-2.4 -6,-0.4 -1,-0.2 0.926 108.3 42.4 -62.3 -46.6 -6.2 -20.2 -7.5 51 86 A Y H X S+ 0 0 132 -4,-1.3 4,-3.0 -3,-0.2 -2,-0.2 0.931 115.6 48.8 -62.4 -46.4 -9.8 -19.6 -8.8 52 87 A S H X S+ 0 0 59 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.926 113.8 47.8 -61.5 -39.5 -9.3 -15.8 -8.8 53 88 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.923 111.9 48.4 -70.2 -45.6 -6.1 -16.2 -10.7 54 89 A R H X S+ 0 0 34 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.929 114.1 46.9 -60.4 -47.3 -7.7 -18.6 -13.2 55 90 A Q H X S+ 0 0 74 -4,-3.0 4,-3.2 2,-0.2 -2,-0.2 0.908 112.0 50.8 -60.2 -43.7 -10.6 -16.3 -13.7 56 91 A H H X S+ 0 0 23 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.961 110.8 48.1 -60.2 -52.3 -8.3 -13.3 -14.1 57 92 A I H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.944 115.5 44.5 -54.2 -46.5 -6.2 -15.0 -16.7 58 93 A M H X S+ 0 0 13 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.915 112.0 51.7 -70.6 -39.1 -9.1 -16.1 -18.6 59 94 A Q H X S+ 0 0 95 -4,-3.2 4,-2.1 -5,-0.2 -1,-0.2 0.932 109.2 51.6 -57.4 -45.0 -10.9 -12.8 -18.4 60 95 A R H < S+ 0 0 21 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.831 113.6 43.6 -64.6 -34.3 -7.7 -11.1 -19.7 61 96 A I H >< S+ 0 0 1 -4,-1.8 3,-1.6 -5,-0.3 7,-0.3 0.918 112.5 51.8 -72.7 -44.6 -7.5 -13.4 -22.6 62 97 A Q H 3< S+ 0 0 115 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.773 99.9 62.4 -67.3 -30.1 -11.2 -13.2 -23.4 63 98 A R T 3< S+ 0 0 115 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 0.598 89.1 96.6 -69.3 -9.7 -11.3 -9.4 -23.5 64 99 A L S < S- 0 0 18 -3,-1.6 4,-0.1 -4,-0.2 74,-0.1 -0.340 78.3-128.8 -81.8 162.3 -8.9 -9.5 -26.4 65 100 A Q S S+ 0 0 129 73,-0.1 -1,-0.1 2,-0.1 73,-0.1 0.860 81.0 94.3 -79.2 -35.3 -9.8 -9.3 -30.0 66 101 A A S S- 0 0 4 71,-0.2 2,-1.9 1,-0.1 79,-0.1 -0.261 91.7-109.4 -56.4 153.5 -7.9 -12.3 -31.1 67 102 A E + 0 0 110 78,-0.2 27,-0.5 77,-0.2 2,-0.2 -0.419 48.4 176.5 -94.0 60.9 -10.1 -15.3 -31.2 68 103 A W E -A 93 0A 21 -2,-1.9 2,-0.6 -7,-0.3 25,-0.2 -0.436 21.7-148.1 -65.6 130.4 -8.5 -17.1 -28.3 69 104 A V E -A 92 0A 62 23,-2.6 23,-2.9 -2,-0.2 2,-0.4 -0.947 17.0-156.4-102.7 119.2 -10.3 -20.3 -27.4 70 105 A V E +A 91 0A 31 -2,-0.6 2,-0.3 21,-0.2 21,-0.2 -0.816 16.9 172.3-103.6 131.8 -9.9 -20.7 -23.7 71 106 A E E -A 90 0A 101 19,-2.7 19,-3.2 -2,-0.4 2,-0.5 -0.982 22.2-146.1-133.3 149.7 -10.2 -24.1 -22.1 72 107 A V E -A 89 0A 55 -2,-0.3 2,-0.9 17,-0.2 17,-0.2 -0.985 6.3-153.7-116.4 122.5 -9.6 -25.3 -18.5 73 108 A D E -A 88 0A 2 15,-2.4 15,-2.7 -2,-0.5 2,-0.4 -0.875 25.0-179.2 -91.9 95.4 -8.1 -28.7 -18.1 74 109 A T E +A 87 0A 79 -2,-0.9 2,-0.3 13,-0.3 13,-0.2 -0.831 13.1 141.5-103.9 137.2 -9.5 -29.6 -14.6 75 110 A F E -A 86 0A 23 11,-2.0 11,-3.1 -2,-0.4 2,-0.4 -0.945 44.1-113.1-163.9 165.1 -8.6 -32.9 -12.9 76 111 A L E +A 85 0A 115 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.908 31.7 176.7-110.4 144.7 -7.8 -34.4 -9.6 77 112 A S E -A 84 0A 27 7,-2.3 7,-2.2 -2,-0.4 2,-0.4 -0.991 34.8-101.5-146.4 150.8 -4.5 -35.8 -8.8 78 113 A R E +A 83 0A 145 -2,-0.4 5,-0.3 5,-0.2 -2,-0.0 -0.584 41.2 174.9 -78.8 128.3 -3.0 -37.2 -5.7 79 114 A T E > -A 82 0A 3 3,-2.9 3,-2.8 -2,-0.4 94,-0.1 -0.734 52.5 -88.1-115.7 175.7 -0.7 -35.0 -3.9 80 115 A P T 3 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.682 130.7 51.5 -59.2 -11.3 1.0 -35.6 -0.5 81 116 A Y T 3 S- 0 0 101 1,-0.5 2,-0.2 0, 0.0 -3,-0.0 0.360 125.2 -94.6-104.4 4.4 -2.1 -34.0 1.1 82 117 A G E < S-A 79 0A 13 -3,-2.8 -3,-2.9 2,-0.0 -1,-0.5 -0.704 74.1 -16.8 112.7-171.5 -4.5 -36.2 -0.7 83 118 A Y E -A 78 0A 146 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.2 -0.464 67.0-179.1 -73.7 140.4 -6.4 -35.7 -4.0 84 119 A R E -A 77 0A 93 -7,-2.2 -7,-2.3 -2,-0.1 2,-0.3 -0.977 26.0-115.4-137.8 154.6 -6.5 -32.1 -5.1 85 120 A S E -A 76 0A 49 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.694 30.2-176.1 -91.5 141.9 -8.1 -30.4 -8.0 86 121 A F E -A 75 0A 0 -11,-3.1 -11,-2.0 -2,-0.3 2,-0.4 -0.981 10.4-161.7-131.1 150.8 -6.0 -28.6 -10.6 87 122 A S E -A 74 0A 5 -2,-0.3 -13,-0.3 -13,-0.2 2,-0.2 -0.880 3.5-162.2-134.5 106.6 -7.0 -26.6 -13.6 88 123 A N E -A 73 0A 0 -15,-2.7 -15,-2.4 -2,-0.4 2,-0.5 -0.585 17.1-140.3 -70.0 147.9 -4.6 -25.9 -16.4 89 124 A I E -AB 72 159A 0 70,-3.0 70,-2.9 -2,-0.2 2,-0.5 -0.948 18.0-172.7-112.0 131.3 -5.6 -23.0 -18.5 90 125 A I E -AB 71 158A 4 -19,-3.2 -19,-2.7 -2,-0.5 2,-0.5 -0.979 4.1-173.1-123.4 128.1 -5.1 -23.4 -22.2 91 126 A S E -AB 70 157A 0 66,-3.4 66,-2.8 -2,-0.5 2,-0.4 -0.981 13.3-173.9-123.0 123.2 -5.7 -20.5 -24.5 92 127 A T E -AB 69 156A 5 -23,-2.9 -23,-2.6 -2,-0.5 2,-0.5 -0.971 20.9-155.0-131.3 129.6 -5.5 -21.3 -28.2 93 128 A L E S+A 68 0A 3 62,-2.7 -25,-0.1 -2,-0.4 4,-0.1 -0.838 88.5 2.2 -92.7 132.1 -5.6 -19.2 -31.4 94 129 A N S > S- 0 0 21 -27,-0.5 3,-1.9 -2,-0.5 -1,-0.3 0.991 70.8-168.0 58.0 63.7 -6.7 -21.3 -34.3 95 130 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.801 84.5 59.1 -56.8 -24.2 -7.4 -24.5 -32.5 96 131 A E T 3 S+ 0 0 117 95,-0.1 -2,-0.1 94,-0.0 2,-0.1 0.624 78.5 109.3 -76.6 -18.9 -7.7 -26.2 -35.9 97 132 A A S < S- 0 0 2 -3,-1.9 56,-0.1 1,-0.2 57,-0.1 -0.386 70.6-138.6 -63.3 135.7 -4.2 -25.2 -36.9 98 133 A K S S+ 0 0 49 1,-0.1 2,-0.3 -2,-0.1 55,-0.2 0.906 84.4 45.1 -60.8 -39.2 -2.0 -28.3 -37.0 99 134 A R E -c 153 0A 4 53,-2.2 55,-2.4 104,-0.1 2,-0.4 -0.805 61.7-179.5-112.1 139.9 0.9 -26.3 -35.3 100 135 A H E -cd 154 203A 9 102,-3.2 104,-2.5 -2,-0.3 105,-0.7 -0.998 26.4-138.1-134.7 140.3 1.2 -24.0 -32.4 101 136 A L E -cd 155 205A 0 53,-2.6 55,-3.2 -2,-0.4 2,-0.5 -0.731 35.7-150.2 -76.5 134.1 4.0 -22.1 -30.9 102 137 A V E -cd 156 206A 0 103,-2.9 105,-3.5 -2,-0.4 2,-0.4 -0.976 17.6-170.0-119.2 131.5 3.2 -22.6 -27.2 103 138 A L E +cd 157 207A 0 53,-2.4 55,-2.3 -2,-0.5 2,-0.4 -0.919 20.7 178.5-113.9 138.7 4.1 -20.1 -24.5 104 139 A A E +cd 158 208A 0 103,-2.5 105,-3.0 -2,-0.4 2,-0.3 -0.989 20.6 166.0-144.9 151.7 3.6 -21.3 -21.0 105 140 A a E -c 159 0A 0 53,-2.1 55,-3.8 -2,-0.4 2,-0.5 -0.900 38.4-109.9-142.1-179.7 3.9 -20.5 -17.4 106 141 A H E -c 160 0A 1 103,-0.4 24,-0.2 -2,-0.3 55,-0.2 -0.959 21.9-167.5-113.5 138.2 2.6 -22.0 -14.2 107 142 A Y + 0 0 0 53,-3.1 54,-0.2 -2,-0.5 2,-0.1 0.532 56.9 94.7-104.9 -7.2 0.0 -19.9 -12.5 108 143 A D - 0 0 0 52,-0.9 2,-0.4 -55,-0.0 -64,-0.3 -0.443 66.5-139.1 -75.7 160.6 -0.1 -21.7 -9.2 109 144 A S - 0 0 0 -66,-1.2 2,-0.1 -2,-0.1 17,-0.1 -0.897 31.6 -93.4-119.7 152.6 1.9 -20.5 -6.4 110 145 A K - 0 0 22 15,-0.4 2,-0.3 -2,-0.4 10,-0.2 -0.370 39.3-119.2 -69.2 133.7 3.7 -22.8 -4.1 111 146 A Y + 0 0 51 54,-0.4 -1,-0.1 -2,-0.1 8,-0.0 -0.510 35.2 173.5 -69.9 130.2 1.9 -23.8 -1.0 112 147 A F - 0 0 56 -2,-0.3 8,-0.2 8,-0.1 -68,-0.1 -0.996 43.7 -94.5-129.1 143.8 3.5 -23.0 2.2 113 148 A P - 0 0 73 0, 0.0 2,-1.6 0, 0.0 3,-0.2 -0.228 41.0-117.0 -50.1 128.7 1.9 -23.5 5.6 114 149 A R + 0 0 144 1,-0.2 5,-0.1 5,-0.0 3,-0.1 -0.621 54.5 154.0 -72.3 91.1 0.2 -20.3 6.6 115 150 A W + 0 0 178 -2,-1.6 2,-0.2 3,-0.2 -1,-0.2 0.583 63.6 4.8-100.0 -10.5 2.3 -19.5 9.7 116 151 A D S S- 0 0 49 2,-0.4 0, 0.0 -3,-0.2 0, 0.0 -0.800 97.5 -73.7-153.5-171.4 2.0 -15.8 9.9 117 152 A S S S+ 0 0 100 -2,-0.2 2,-0.1 -3,-0.1 -3,-0.0 0.685 100.4 90.0 -66.9 -23.0 0.1 -13.1 8.0 118 153 A R - 0 0 103 1,-0.0 -2,-0.4 2,-0.0 2,-0.3 -0.390 58.7-159.4 -78.3 156.9 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115.9 44.6 -67.7 -45.6 -1.6 -34.2 -16.7 181 220 A L H X S+ 0 0 4 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.859 109.7 53.5 -69.5 -38.1 -1.8 -32.0 -19.7 182 221 A A H X S+ 0 0 4 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.876 112.2 47.6 -60.4 -35.6 1.1 -33.5 -21.6 183 222 A Q H X S+ 0 0 128 -4,-1.5 4,-1.3 -5,-0.3 -2,-0.2 0.917 112.1 49.4 -71.6 -43.7 -0.6 -36.9 -21.1 184 223 A K H < S+ 0 0 89 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.908 110.6 48.8 -60.2 -45.5 -3.9 -35.4 -22.3 185 224 A M H >< S+ 0 0 3 -4,-2.8 3,-1.2 1,-0.2 14,-1.2 0.806 107.3 57.1 -69.9 -27.9 -2.4 -33.8 -25.4 186 225 A A H 3< S+ 0 0 22 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.813 110.0 44.2 -70.6 -29.2 -0.8 -37.2 -26.1 187 226 A S T 3< S+ 0 0 93 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 -0.057 97.8 88.2 -99.5 27.3 -4.3 -38.8 -26.1 188 227 A S S < S- 0 0 26 -3,-1.2 11,-1.9 -5,-0.1 12,-0.2 -0.848 75.4-141.4-126.7 95.7 -5.7 -36.0 -28.1 189 228 A P B -F 198 0B 74 0, 0.0 9,-0.4 0, 0.0 -2,-0.1 -0.278 24.2-129.3 -60.6 146.4 -5.4 -36.7 -31.8 190 229 A H S S+ 0 0 12 7,-2.1 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