==== 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 PHOSPHOTRANSFERASE 18-APR-95 1NSP . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR J.JANIN,S.MORERA,M.CHIADMI,G.LEBRAS,I.LASCU . 150 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 63.3 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 . 22 14.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 1 0.7 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 . 6 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 2 0 1 1 1 0 2 0 0 0 0 0 0 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 . 1 0 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A V > 0 0 129 0, 0.0 3,-0.9 0, 0.0 80,-0.6 0.000 360.0 360.0 360.0 -40.6 -25.9 47.8 8.0 2 7 A N T 3 + 0 0 53 1,-0.2 78,-0.2 78,-0.2 76,-0.0 0.198 360.0 70.8 -86.5 11.3 -24.3 48.2 11.4 3 8 A K T 3 + 0 0 106 76,-0.1 -1,-0.2 75,-0.1 77,-0.1 0.139 68.8 130.3-110.7 9.0 -26.5 45.2 12.3 4 9 A E < - 0 0 54 -3,-0.9 75,-2.6 75,-0.1 2,-0.3 -0.424 41.3-160.1 -64.9 143.4 -24.5 42.8 10.3 5 10 A R E -A 78 0A 54 73,-0.2 2,-0.3 -2,-0.1 73,-0.2 -0.944 11.9-167.4-130.1 149.7 -23.5 39.6 12.2 6 11 A T E -A 77 0A 0 71,-2.1 71,-2.0 -2,-0.3 2,-0.5 -0.958 19.1-128.9-133.1 154.3 -20.9 36.9 11.9 7 12 A F E -A 76 0A 0 -2,-0.3 112,-1.5 69,-0.2 2,-0.4 -0.883 26.1-178.2-102.6 128.3 -20.4 33.5 13.5 8 13 A L E -AB 75 118A 0 67,-2.9 67,-2.9 -2,-0.5 2,-0.4 -0.953 6.4-168.5-124.3 143.9 -17.0 32.7 15.1 9 14 A A E -AB 74 117A 0 108,-2.4 108,-2.7 -2,-0.4 2,-0.9 -0.992 18.1-145.0-135.2 125.7 -15.9 29.5 16.7 10 15 A V E -AB 73 116A 0 63,-2.9 63,-1.8 -2,-0.4 106,-0.3 -0.858 35.4-138.9 -84.4 109.6 -12.8 29.0 18.7 11 16 A K >> - 0 0 11 104,-2.0 4,-2.1 -2,-0.9 3,-0.6 -0.064 25.2 -89.7 -67.2 170.1 -11.9 25.5 17.7 12 17 A P H 3> S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.821 125.8 52.1 -51.9 -36.7 -10.7 22.7 20.1 13 18 A D H 3> S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 6,-0.1 0.890 110.5 48.9 -66.3 -39.1 -7.0 23.5 19.6 14 19 A G H <4>S+ 0 0 0 -3,-0.6 5,-2.4 101,-0.4 6,-0.3 0.859 113.9 45.7 -67.8 -40.1 -7.6 27.2 20.4 15 20 A V H ><5S+ 0 0 27 -4,-2.1 3,-1.7 56,-0.3 5,-0.2 0.946 113.6 49.1 -67.7 -47.5 -9.6 26.4 23.5 16 21 A A H 3<5S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.815 108.8 54.0 -63.1 -32.0 -7.0 23.8 24.6 17 22 A R T 3<5S- 0 0 133 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.391 115.4-113.6 -84.8 7.3 -4.2 26.4 24.0 18 23 A G T < 5S+ 0 0 64 -3,-1.7 4,-0.2 -4,-0.1 -3,-0.2 0.864 76.6 129.4 65.3 43.3 -5.9 29.0 26.3 19 24 A L >< + 0 0 16 -5,-2.4 4,-2.2 1,-0.1 -4,-0.2 0.326 35.9 97.3-110.3 6.0 -6.6 31.5 23.5 20 25 A V H > S+ 0 0 37 -6,-0.3 4,-2.4 -5,-0.2 5,-0.2 0.928 87.7 41.4 -60.1 -52.9 -10.3 32.2 24.1 21 26 A G H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 113.7 53.8 -65.8 -41.3 -9.9 35.4 26.1 22 27 A E H > S+ 0 0 78 -4,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.927 111.4 46.0 -59.4 -43.4 -7.2 36.7 23.8 23 28 A I H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 3,-0.2 0.937 113.1 47.7 -67.1 -47.4 -9.5 36.2 20.7 24 29 A I H X S+ 0 0 23 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.915 108.5 56.1 -59.6 -43.0 -12.6 37.8 22.3 25 30 A A H X S+ 0 0 30 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.848 101.7 56.7 -58.9 -37.9 -10.6 40.8 23.4 26 31 A R H X S+ 0 0 43 -4,-1.4 4,-1.1 -3,-0.2 -1,-0.2 0.896 111.3 42.9 -61.0 -39.7 -9.4 41.4 19.9 27 32 A Y H X>S+ 0 0 1 -4,-1.3 5,-1.5 -3,-0.3 4,-0.9 0.857 113.4 50.7 -76.5 -35.6 -13.0 41.7 18.7 28 33 A E H <5S+ 0 0 118 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.900 109.5 51.3 -67.9 -39.5 -14.2 43.8 21.6 29 34 A K H <5S+ 0 0 162 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.800 104.8 57.4 -64.1 -35.7 -11.3 46.2 21.1 30 35 A K H <5S- 0 0 117 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.771 121.0-109.0 -65.1 -28.8 -12.2 46.6 17.5 31 36 A G T <5 + 0 0 12 -4,-0.9 114,-0.2 -3,-0.5 -3,-0.2 0.380 69.7 139.8 114.3 -3.3 -15.7 47.7 18.5 32 37 A F < - 0 0 15 -5,-1.5 2,-0.5 47,-0.1 -1,-0.3 -0.394 49.5-124.3 -71.3 150.2 -17.8 44.7 17.5 33 38 A V E -C 78 0A 27 45,-2.9 45,-2.3 -2,-0.1 2,-0.5 -0.859 13.1-123.8-105.3 128.1 -20.6 43.7 20.0 34 39 A L E +C 77 0A 53 -2,-0.5 43,-0.2 43,-0.2 3,-0.1 -0.565 36.4 167.1 -71.4 116.5 -20.9 40.2 21.5 35 40 A V E + 0 0 5 41,-2.9 104,-2.1 -2,-0.5 2,-0.3 0.652 64.2 13.3-105.9 -22.0 -24.4 39.1 20.6 36 41 A G E +C 76 0A 5 40,-1.3 40,-1.7 102,-0.2 -1,-0.3 -0.979 64.1 169.3-154.5 147.5 -24.2 35.3 21.5 37 42 A L E +C 75 0A 83 100,-0.4 2,-0.3 -2,-0.3 38,-0.2 -0.831 9.1 139.1-167.0 131.2 -21.7 33.2 23.4 38 43 A K E -C 74 0A 56 36,-1.8 36,-2.4 -2,-0.2 2,-0.4 -0.957 38.7-125.4-170.1 147.2 -21.4 29.7 24.9 39 44 A Q E +C 73 0A 127 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.847 41.6 153.3 -95.7 141.0 -19.0 26.8 25.3 40 45 A L E -C 72 0A 43 32,-2.6 32,-3.5 -2,-0.4 30,-0.1 -0.968 47.0-121.3-159.4 164.4 -20.1 23.4 24.0 41 46 A V - 0 0 89 -2,-0.3 27,-0.1 30,-0.3 26,-0.1 -0.986 44.0-127.8-111.7 108.9 -18.8 20.1 22.6 42 47 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 28,-0.1 -0.351 16.0-131.4 -60.9 141.0 -20.3 19.8 19.2 43 48 A T > - 0 0 85 1,-0.1 4,-2.3 -2,-0.0 3,-0.2 -0.499 28.5-104.0 -84.1 165.6 -22.2 16.6 18.3 44 49 A K H > S+ 0 0 118 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.889 118.9 53.6 -58.5 -41.6 -21.5 14.8 15.1 45 50 A D H > S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.875 109.4 45.5 -62.8 -42.5 -24.8 16.1 13.5 46 51 A L H > S+ 0 0 28 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.913 114.5 51.4 -67.7 -39.7 -24.1 19.8 14.2 47 52 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.952 109.5 47.7 -59.9 -53.2 -20.6 19.2 12.9 48 53 A E H < S+ 0 0 60 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.817 113.9 48.6 -59.8 -32.5 -21.7 17.6 9.6 49 54 A S H >< S+ 0 0 41 -4,-1.7 3,-1.1 -5,-0.2 4,-0.3 0.913 108.5 53.1 -73.3 -42.6 -24.2 20.3 9.1 50 55 A H H 3< S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.3 -2,-0.2 0.897 121.4 32.2 -59.3 -40.7 -21.5 23.0 9.8 51 56 A Y T >< S+ 0 0 8 -4,-2.3 3,-3.5 1,-0.2 4,-0.3 0.247 81.1 122.6-103.3 15.6 -19.2 21.5 7.2 52 57 A A G X + 0 0 26 -3,-1.1 3,-2.5 1,-0.3 4,-0.2 0.832 65.1 69.4 -46.0 -38.6 -22.0 20.2 4.9 53 58 A E G 3 S+ 0 0 101 -3,-0.3 -1,-0.3 -4,-0.3 3,-0.2 0.717 105.2 41.1 -54.9 -21.6 -20.5 22.3 2.1 54 59 A H G X S+ 0 0 43 -3,-3.5 3,-2.1 -6,-0.2 6,-0.4 0.339 77.4 115.2-107.6 5.6 -17.5 19.8 2.1 55 60 A K T < S+ 0 0 123 -3,-2.5 -1,-0.1 -4,-0.3 -2,-0.1 0.619 78.0 50.6 -54.7 -14.6 -19.5 16.6 2.6 56 61 A E T 3 S+ 0 0 142 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.666 95.5 88.9 -95.9 -15.4 -18.4 15.4 -0.8 57 62 A R S < S- 0 0 162 -3,-2.1 3,-0.4 1,-0.1 4,-0.3 -0.286 80.4-124.2 -79.1 161.5 -14.7 16.0 -0.2 58 63 A P S > S+ 0 0 125 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.941 107.5 55.8 -71.4 -44.4 -12.2 13.5 1.4 59 64 A F T 3> S+ 0 0 104 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.576 82.2 92.1 -65.9 -9.8 -11.0 15.7 4.2 60 65 A F H 3> S+ 0 0 27 -3,-0.4 4,-2.1 -6,-0.4 -1,-0.3 0.849 81.9 53.8 -54.5 -39.8 -14.6 16.2 5.4 61 66 A G H <> S+ 0 0 39 -3,-1.3 4,-2.2 -4,-0.3 -1,-0.2 0.895 107.6 51.6 -64.7 -35.5 -14.4 13.3 7.8 62 67 A G H > S+ 0 0 49 -3,-0.4 4,-2.0 -4,-0.4 -1,-0.2 0.838 108.1 51.3 -68.1 -34.8 -11.3 14.9 9.4 63 68 A L H X S+ 0 0 41 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.934 111.4 46.6 -68.0 -46.3 -13.1 18.2 9.9 64 69 A V H X S+ 0 0 10 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.904 112.4 50.7 -63.5 -44.1 -16.0 16.5 11.6 65 70 A S H < S+ 0 0 79 -4,-2.2 4,-0.4 -5,-0.2 3,-0.2 0.928 112.1 46.1 -60.2 -47.8 -13.8 14.4 13.9 66 71 A F H >< S+ 0 0 35 -4,-2.0 3,-1.7 1,-0.2 4,-0.3 0.946 109.4 51.2 -64.2 -47.0 -11.7 17.3 15.0 67 72 A I H 3< S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.759 114.4 45.9 -66.5 -19.5 -14.4 19.8 15.8 68 73 A T T 3< S+ 0 0 39 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.494 88.9 89.5-100.0 1.7 -16.1 17.2 17.9 69 74 A S S < S- 0 0 76 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.625 102.7 -18.8 -74.1 -10.4 -12.9 16.2 19.6 70 75 A G S S- 0 0 12 -3,-0.4 -57,-0.1 -4,-0.3 -30,-0.1 -0.974 93.2 -38.7-174.6-178.4 -13.4 18.7 22.4 71 76 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 -30,-0.3 -0.262 46.8-164.4 -62.3 152.6 -15.1 21.9 23.6 72 77 A V E - C 0 40A 0 -32,-3.5 -32,-2.6 -57,-0.1 2,-0.7 -0.947 16.4-137.2-135.7 143.0 -15.6 24.8 21.3 73 78 A V E -AC 10 39A 10 -63,-1.8 -63,-2.9 -2,-0.3 2,-0.4 -0.940 24.4-166.4-107.5 109.3 -16.4 28.4 22.1 74 79 A A E +AC 9 38A 0 -36,-2.4 -36,-1.8 -2,-0.7 2,-0.3 -0.802 12.7 170.7 -94.5 137.5 -19.1 29.6 19.7 75 80 A M E -AC 8 37A 0 -67,-2.9 -67,-2.9 -2,-0.4 2,-0.4 -0.964 26.2-147.7-146.9 157.0 -19.9 33.3 19.4 76 81 A V E -AC 7 36A 0 -40,-1.7 -41,-2.9 -2,-0.3 -40,-1.3 -1.000 17.8-165.7-125.6 125.7 -21.8 35.8 17.3 77 82 A F E -AC 6 34A 0 -71,-2.0 -71,-2.1 -2,-0.4 2,-0.4 -0.913 4.4-152.0-112.8 147.3 -20.5 39.3 16.8 78 83 A E E +AC 5 33A 7 -45,-2.3 -45,-2.9 -2,-0.4 2,-0.3 -0.938 36.5 101.1-122.8 140.1 -22.4 42.3 15.5 79 84 A G S > S- 0 0 1 -75,-2.6 3,-1.4 -2,-0.4 2,-0.3 -0.896 70.8 -56.4 167.0 167.5 -21.1 45.4 13.7 80 85 A K T 3 S- 0 0 119 1,-0.3 -78,-0.2 -2,-0.3 5,-0.0 -0.497 120.5 -4.8 -66.3 126.3 -20.7 47.1 10.3 81 86 A G T 3> S+ 0 0 30 -80,-0.6 4,-2.7 -2,-0.3 -1,-0.3 0.700 87.2 149.6 60.9 28.2 -18.8 44.9 7.9 82 87 A V H <> + 0 0 0 -3,-1.4 4,-3.4 1,-0.2 5,-0.3 0.883 60.6 57.8 -60.9 -41.7 -18.2 42.4 10.6 83 88 A V H > S+ 0 0 7 -4,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.925 116.3 32.0 -57.7 -49.1 -18.1 39.4 8.3 84 89 A A H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 119.2 54.6 -76.1 -37.6 -15.3 40.6 6.1 85 90 A S H X S+ 0 0 25 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.926 106.4 51.0 -62.6 -43.6 -13.6 42.4 9.0 86 91 A A H X S+ 0 0 1 -4,-3.4 4,-1.4 1,-0.2 -1,-0.2 0.825 109.1 51.4 -64.2 -34.6 -13.5 39.3 11.2 87 92 A R H X S+ 0 0 79 -4,-1.2 4,-2.1 -5,-0.3 -1,-0.2 0.856 108.0 51.9 -69.1 -39.2 -11.9 37.3 8.3 88 93 A L H < S+ 0 0 143 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.867 109.2 51.0 -64.0 -35.7 -9.2 39.9 7.9 89 94 A M H < S+ 0 0 38 -4,-1.9 14,-2.7 1,-0.2 -2,-0.2 0.826 111.1 49.1 -71.5 -27.1 -8.5 39.7 11.7 90 95 A I H < S- 0 0 1 -4,-1.4 14,-2.5 12,-0.2 15,-0.4 0.887 100.4-144.7 -78.4 -45.3 -8.2 35.9 11.5 91 96 A G < - 0 0 17 -4,-2.1 -1,-0.2 12,-0.2 2,-0.2 -0.792 34.6 -36.2 110.8-157.2 -5.8 35.7 8.6 92 97 A V - 0 0 74 2,-0.3 6,-0.2 -2,-0.3 5,-0.1 -0.567 61.7 -95.6-104.9 169.0 -5.7 33.1 5.8 93 98 A T S S+ 0 0 91 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.851 113.7 62.0 -50.1 -44.3 -6.3 29.4 5.8 94 99 A N S >> S- 0 0 60 1,-0.2 3,-1.3 18,-0.0 4,-0.5 -0.820 74.2-156.6 -91.2 114.1 -2.6 28.6 6.2 95 100 A P G >4 S+ 0 0 2 0, 0.0 3,-1.0 0, 0.0 13,-0.2 0.844 92.1 61.8 -55.9 -36.8 -1.4 30.1 9.6 96 101 A L G 34 S+ 0 0 123 13,-0.4 14,-0.1 1,-0.3 13,-0.1 0.751 107.4 43.7 -63.1 -26.0 2.2 30.2 8.3 97 102 A A G <4 S+ 0 0 69 -3,-1.3 -1,-0.3 -5,-0.1 2,-0.2 0.479 90.8 108.0 -96.7 -7.4 1.1 32.6 5.5 98 103 A S S << S- 0 0 11 -3,-1.0 3,-0.1 -4,-0.5 -7,-0.1 -0.537 76.9-111.4 -74.1 136.3 -1.0 34.7 7.8 99 104 A A > - 0 0 64 -2,-0.2 3,-2.3 1,-0.1 6,-0.4 -0.351 33.2 -97.1 -70.7 144.3 0.5 38.1 8.5 100 105 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.358 113.7 45.4 -56.6 136.4 1.8 39.0 12.0 101 106 A G T 3 S+ 0 0 55 1,-0.6 2,-0.2 2,-0.1 -2,-0.1 0.012 94.2 96.2 114.5 -26.1 -1.0 40.9 13.8 102 107 A S S <> S- 0 0 11 -3,-2.3 4,-2.1 1,-0.1 -1,-0.6 -0.552 86.6-111.7 -92.8 161.9 -3.7 38.5 12.7 103 108 A I H > S+ 0 0 0 -14,-2.7 4,-2.0 1,-0.2 5,-0.3 0.950 117.2 37.4 -57.4 -54.2 -4.9 35.7 14.9 104 109 A R H > S+ 0 0 3 -14,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.832 114.9 56.7 -70.4 -27.1 -3.5 32.8 12.8 105 110 A G H 4 S+ 0 0 25 -15,-0.4 -1,-0.2 -6,-0.4 -2,-0.2 0.855 113.7 39.3 -70.2 -33.8 -0.4 34.8 12.0 106 111 A D H < S+ 0 0 67 -4,-2.1 -2,-0.2 -7,-0.2 -1,-0.2 0.811 133.1 17.1 -83.8 -31.5 0.4 35.3 15.7 107 112 A F H < S+ 0 0 53 -4,-2.0 2,-0.3 -5,-0.2 -3,-0.2 0.501 102.9 79.6-125.8 -8.1 -0.5 31.9 17.0 108 113 A G < + 0 0 9 -4,-1.9 6,-0.1 -5,-0.3 -10,-0.1 -0.791 26.2 165.4-114.8 159.8 -0.8 29.2 14.4 109 114 A V + 0 0 102 4,-0.5 2,-0.4 -2,-0.3 -13,-0.4 0.597 65.7 59.8-133.2 -24.0 1.5 27.0 12.4 110 115 A D B > -D 113 0B 95 3,-0.6 3,-1.8 1,-0.1 -1,-0.2 -0.915 63.2-142.8-121.7 132.1 -0.7 24.2 10.9 111 116 A V T > S+ 0 0 70 -2,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.882 107.7 53.3 -52.1 -40.1 -3.7 24.4 8.5 112 117 A G T 3 S+ 0 0 34 1,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.615 114.1 40.4 -72.5 -16.8 -5.2 21.5 10.4 113 118 A R B < S+D 110 0B 114 -3,-1.8 -3,-0.6 1,-0.1 -4,-0.5 -0.646 72.6 146.7-130.3 69.3 -4.9 23.3 13.7 114 119 A N < - 0 0 11 -3,-0.5 2,-2.7 -2,-0.2 -6,-0.1 0.076 48.7-136.1-101.1 23.5 -5.8 26.8 12.7 115 120 A I + 0 0 0 -8,-0.1 -104,-2.0 -105,-0.1 -101,-0.4 -0.192 67.3 41.7 68.7 -50.3 -7.5 27.9 15.9 116 121 A I E -B 10 0A 0 -2,-2.7 2,-0.4 -106,-0.3 -106,-0.2 -0.927 56.1-145.4-140.3 157.1 -10.6 29.6 14.8 117 122 A X E +B 9 0A 35 -108,-2.7 -108,-2.4 -2,-0.3 2,-0.3 -0.962 16.9 179.6-120.2 137.8 -13.6 29.6 12.4 118 123 A G E -B 8 0A 2 -2,-0.4 -110,-0.2 -110,-0.2 -35,-0.0 -0.992 37.4-104.6-136.5 135.3 -15.1 32.7 10.9 119 124 A S - 0 0 0 -112,-1.5 -32,-0.1 -2,-0.3 3,-0.1 -0.343 22.9-145.9 -58.0 141.7 -18.1 32.7 8.4 120 125 A D S S+ 0 0 92 1,-0.1 2,-0.3 -33,-0.0 -1,-0.1 0.595 74.3 10.5 -88.4 -6.5 -16.8 33.5 4.9 121 126 A S S > S- 0 0 49 1,-0.1 4,-3.3 -38,-0.0 5,-0.2 -0.981 77.9-101.6-160.8 166.2 -20.0 35.4 3.9 122 127 A V H > S+ 0 0 53 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.921 121.1 48.5 -61.5 -41.5 -23.2 37.0 5.1 123 128 A E H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 113.9 44.5 -70.3 -38.1 -25.3 34.1 3.9 124 129 A S H > S+ 0 0 14 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.925 112.5 54.1 -70.5 -36.9 -23.0 31.5 5.4 125 130 A A H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.923 109.7 48.1 -59.1 -44.7 -22.9 33.7 8.6 126 131 A N H X S+ 0 0 86 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.887 113.7 45.8 -62.5 -43.7 -26.8 33.6 8.6 127 132 A R H X S+ 0 0 99 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.933 115.2 47.0 -65.3 -48.4 -26.9 29.8 8.1 128 133 A E H X S+ 0 0 3 -4,-3.2 4,-3.4 2,-0.2 5,-0.3 0.902 111.4 49.6 -61.8 -43.2 -24.2 29.1 10.8 129 134 A I H X S+ 0 0 16 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.931 114.0 45.2 -62.1 -47.2 -25.7 31.4 13.4 130 135 A A H < S+ 0 0 77 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.730 116.0 49.8 -68.1 -22.9 -29.1 29.8 13.0 131 136 A L H < S+ 0 0 49 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.900 120.2 32.4 -79.1 -47.4 -27.4 26.4 13.0 132 137 A W H < S+ 0 0 8 -4,-3.4 2,-0.4 -5,-0.1 -2,-0.2 0.723 118.8 48.1 -85.6 -24.1 -25.3 27.0 16.2 133 138 A F < - 0 0 9 -4,-2.7 -1,-0.1 -5,-0.3 5,-0.0 -0.946 67.0-135.8-126.7 144.9 -27.7 29.2 18.2 134 139 A K > - 0 0 115 -2,-0.4 3,-2.6 1,-0.1 4,-0.3 -0.680 36.7-114.8 -86.4 148.7 -31.4 29.3 19.2 135 140 A P G > S+ 0 0 98 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.806 116.1 65.0 -54.6 -31.5 -32.9 32.8 18.8 136 141 A E G 3 S+ 0 0 141 1,-0.3 4,-0.1 4,-0.0 -3,-0.0 0.749 95.9 59.7 -63.5 -22.3 -33.4 33.0 22.5 137 142 A E G < S+ 0 0 75 -3,-2.6 -100,-0.4 2,-0.1 2,-0.4 0.450 92.4 80.1 -87.0 -1.3 -29.6 32.9 22.8 138 143 A L S < S- 0 0 26 -3,-1.6 -102,-0.2 -4,-0.3 2,-0.2 -0.843 84.0-112.3-112.9 141.8 -28.9 36.0 20.8 139 144 A L - 0 0 71 -104,-2.1 3,-0.1 -2,-0.4 -2,-0.1 -0.499 24.3-172.8 -68.6 136.3 -29.2 39.7 22.0 140 145 A T S S+ 0 0 113 1,-0.2 2,-0.9 -2,-0.2 -1,-0.2 0.798 75.3 58.2 -97.6 -37.3 -32.0 41.5 20.3 141 146 A E S S- 0 0 132 2,-0.0 2,-0.5 0, 0.0 -1,-0.2 -0.808 73.3-177.5 -97.4 98.1 -31.2 44.9 21.6 142 147 A V + 0 0 17 -2,-0.9 -107,-0.1 -3,-0.1 -109,-0.0 -0.882 9.7 175.0-106.4 129.4 -27.7 45.8 20.6 143 148 A K - 0 0 163 -2,-0.5 2,-0.1 0, 0.0 -2,-0.0 -0.940 8.1-169.6-132.1 105.7 -26.0 48.9 21.6 144 149 A P - 0 0 24 0, 0.0 -112,-0.1 0, 0.0 5,-0.1 -0.329 47.6 -66.8 -84.1 174.2 -22.3 49.6 20.7 145 150 A N > - 0 0 87 -114,-0.2 3,-1.5 1,-0.2 4,-0.5 -0.421 43.6-136.1 -60.2 132.3 -20.1 52.4 22.0 146 151 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.537 103.3 65.6 -68.9 -9.6 -21.5 55.7 20.6 147 152 A N T 3 S+ 0 0 142 1,-0.2 -2,-0.1 0, 0.0 3,-0.1 0.280 92.2 66.3 -94.2 4.0 -18.0 56.8 19.8 148 153 A L S < S+ 0 0 70 -3,-1.5 2,-0.4 1,-0.2 -1,-0.2 0.745 97.3 48.8 -92.5 -37.3 -17.8 54.0 17.3 149 154 A Y 0 0 63 -4,-0.5 -1,-0.2 1,-0.2 -147,-0.0 -0.920 360.0 360.0-118.6 139.5 -20.4 55.1 14.7 150 155 A E 0 0 252 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.0 0.903 360.0 360.0 -80.2 360.0 -21.0 58.3 12.9