==== 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 14-MAY-03 1PAE . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE KINASE, CYTOSOLIC; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR M.-P.STRUB,F.HOH,J.-F.SANCHEZ,J.M.STRUB,A.BOCK,A.AUMELAS,C.D . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 64.9 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 . 22 14.9 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 . 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 . 5 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 8 X K 0 0 160 0, 0.0 77,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.1 -15.3 66.0 41.2 2 9 X E - 0 0 57 75,-0.1 75,-1.6 74,-0.1 2,-0.3 -0.115 360.0-156.4 -58.3 157.3 -11.8 66.0 42.9 3 10 X R E -A 76 0A 64 73,-0.2 2,-0.3 117,-0.1 73,-0.2 -0.995 8.6-166.2-141.9 144.4 -8.6 66.7 41.0 4 11 X T E -A 75 0A 0 71,-1.6 71,-1.3 -2,-0.3 2,-0.4 -0.932 19.3-128.8-128.1 155.7 -4.9 65.9 41.4 5 12 X F E -A 74 0A 2 -2,-0.3 112,-1.6 69,-0.2 2,-0.4 -0.883 26.3-175.5-100.6 133.8 -1.7 67.2 39.8 6 13 X L E -AB 73 116A 1 67,-3.1 67,-2.5 -2,-0.4 2,-0.4 -0.966 6.7-169.1-128.0 142.1 0.7 64.7 38.3 7 14 X A E -AB 72 115A 0 108,-2.4 108,-2.3 -2,-0.4 2,-0.8 -0.982 15.1-149.5-131.6 124.8 4.1 65.3 36.7 8 15 X V E -AB 71 114A 0 63,-2.8 63,-1.7 -2,-0.4 106,-0.3 -0.863 32.4-136.4 -89.6 116.3 6.1 62.8 34.8 9 16 X K >> - 0 0 16 104,-1.7 4,-2.1 -2,-0.8 3,-0.5 -0.010 25.1 -91.3 -73.4 170.4 9.7 63.8 35.5 10 17 X P H 3> S+ 0 0 13 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.783 124.4 55.1 -61.8 -28.7 12.6 64.1 33.0 11 18 X D H 3> S+ 0 0 18 2,-0.2 4,-1.4 1,-0.2 6,-0.1 0.854 108.9 48.8 -69.2 -38.7 13.8 60.5 33.6 12 19 X G H <4>S+ 0 0 0 -3,-0.5 5,-2.0 101,-0.4 6,-0.3 0.908 113.3 46.3 -62.6 -44.0 10.3 59.2 32.8 13 20 X V H ><5S+ 0 0 29 -4,-2.1 3,-1.4 56,-0.3 5,-0.2 0.940 112.6 50.1 -64.3 -44.9 10.0 61.3 29.6 14 21 X A H 3<5S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.796 108.6 52.7 -63.4 -32.2 13.5 60.3 28.5 15 22 X R T 3<5S- 0 0 136 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.368 115.4-113.5 -88.4 0.0 12.8 56.5 29.0 16 23 X G T < 5S+ 0 0 62 -3,-1.4 4,-0.2 -4,-0.3 -3,-0.2 0.886 74.9 130.8 73.1 44.5 9.6 56.7 26.9 17 24 X L >< + 0 0 18 -5,-2.0 4,-1.7 1,-0.1 5,-0.2 0.379 35.9 98.2-109.0 4.0 7.1 56.0 29.7 18 25 X V H > S+ 0 0 38 -6,-0.3 4,-2.3 1,-0.2 5,-0.2 0.922 85.3 40.9 -65.4 -53.2 4.6 58.8 29.0 19 26 X G H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.853 112.3 56.9 -67.0 -37.7 1.9 57.0 27.1 20 27 X E H > S+ 0 0 89 -4,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.901 110.5 43.9 -54.5 -45.1 2.1 54.0 29.3 21 28 X I H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.921 113.3 48.8 -72.7 -48.0 1.4 56.1 32.4 22 29 X I H X S+ 0 0 23 -4,-2.3 4,-2.3 1,-0.2 3,-0.3 0.898 108.8 55.9 -54.6 -43.7 -1.4 58.1 30.9 23 30 X A H X S+ 0 0 28 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.859 101.9 56.7 -62.2 -37.1 -3.0 54.8 29.6 24 31 X R H X S+ 0 0 48 -4,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.874 110.9 42.7 -59.8 -40.4 -3.1 53.4 33.2 25 32 X Y H X>S+ 0 0 0 -4,-1.3 5,-1.6 -3,-0.3 4,-0.7 0.878 112.4 52.2 -77.6 -39.9 -5.1 56.4 34.5 26 33 X E H ><5S+ 0 0 116 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.907 108.6 52.6 -59.4 -41.7 -7.5 56.4 31.5 27 34 X K H 3<5S+ 0 0 178 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.763 103.5 57.2 -67.3 -26.2 -8.2 52.7 32.0 28 35 X K H 3<5S- 0 0 121 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.667 120.6-108.1 -75.9 -21.9 -9.0 53.3 35.7 29 36 X G T <<5S+ 0 0 14 -3,-1.0 -3,-0.2 -4,-0.7 2,-0.1 0.425 71.1 139.4 104.8 3.8 -11.8 55.8 34.6 30 37 X F < - 0 0 19 -5,-1.6 2,-0.4 47,-0.1 -1,-0.4 -0.513 48.4-127.8 -74.8 151.0 -10.2 59.1 35.6 31 38 X V E -C 76 0A 34 45,-2.0 45,-2.1 -2,-0.1 2,-0.6 -0.880 10.9-124.4-110.9 133.9 -10.7 62.0 33.1 32 39 X L E +C 75 0A 53 -2,-0.4 43,-0.2 43,-0.2 3,-0.1 -0.618 37.0 160.9 -79.9 114.5 -7.9 64.1 31.6 33 40 X V E + 0 0 4 41,-2.1 104,-1.6 -2,-0.6 2,-0.3 0.429 66.0 26.8-113.8 -4.2 -8.6 67.8 32.2 34 41 X G E +C 74 0A 5 40,-1.4 40,-1.2 102,-0.2 -1,-0.3 -0.974 59.4 161.2-153.8 145.6 -5.0 69.2 31.7 35 42 X L E +C 73 0A 89 100,-0.3 2,-0.3 -2,-0.3 38,-0.2 -0.808 7.5 145.2-165.4 120.6 -1.9 68.2 29.7 36 43 X K E -C 72 0A 50 36,-2.1 36,-2.7 -2,-0.2 2,-0.4 -0.984 34.8-135.3-150.0 151.3 1.3 69.9 28.5 37 44 X Q E +C 71 0A 132 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.891 41.2 150.6 -95.2 136.1 5.0 69.2 27.9 38 45 X L E -C 70 0A 46 32,-2.3 32,-2.5 -2,-0.4 30,-0.1 -0.988 49.8-117.6-157.5 155.9 7.3 72.0 29.1 39 46 X V - 0 0 94 -2,-0.3 27,-0.1 30,-0.2 26,-0.0 -0.892 47.5-122.9 -94.7 108.6 10.8 72.6 30.4 40 47 X P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 28,-0.1 -0.194 18.7-125.5 -60.7 143.6 10.2 74.0 33.8 41 48 X T > - 0 0 78 1,-0.1 4,-2.3 4,-0.0 3,-0.4 -0.501 22.3-112.6 -81.8 147.1 11.7 77.4 34.8 42 49 X K H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.921 116.7 46.0 -44.9 -50.8 13.9 77.8 37.8 43 50 X D H > S+ 0 0 113 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.771 109.9 53.2 -78.8 -17.9 11.4 79.9 39.7 44 51 X L H > S+ 0 0 23 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.923 111.5 47.9 -70.6 -45.2 8.4 77.6 38.9 45 52 X A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.878 109.2 52.0 -58.2 -45.7 10.6 74.7 40.3 46 53 X E H < S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.854 112.8 45.5 -65.0 -36.8 11.5 76.6 43.5 47 54 X S H >< S+ 0 0 50 -4,-1.3 3,-1.4 -5,-0.2 -2,-0.2 0.914 111.1 54.7 -67.9 -42.1 7.8 77.4 44.1 48 55 X H H 3< S+ 0 0 8 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.882 116.3 35.0 -60.5 -42.4 6.9 73.7 43.4 49 56 X Y T >< S+ 0 0 27 -4,-2.4 3,-1.3 1,-0.2 -1,-0.3 -0.196 83.4 131.1-103.5 42.0 9.3 72.3 45.9 50 57 X A G X + 0 0 29 -3,-1.4 3,-1.8 1,-0.3 -1,-0.2 0.865 59.9 63.2 -70.4 -36.1 8.7 75.2 48.3 51 58 X E G 3 S+ 0 0 101 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.518 104.9 50.0 -70.0 -2.7 8.1 73.2 51.5 52 59 X H G X S+ 0 0 62 -3,-1.3 3,-1.7 1,-0.1 -1,-0.3 0.262 73.8 108.9-112.8 9.2 11.7 71.8 51.3 53 60 X K T < S+ 0 0 123 -3,-1.8 5,-0.1 1,-0.3 -2,-0.1 0.670 73.4 58.4 -69.8 -16.2 13.7 75.1 50.8 54 61 X E T 3 S+ 0 0 148 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.352 92.8 85.5 -94.2 5.2 15.3 75.1 54.3 55 62 X R S X S- 0 0 150 -3,-1.7 3,-0.9 1,-0.1 4,-0.2 -0.646 83.6-121.7-105.2 163.2 16.9 71.7 53.7 56 63 X P T > S+ 0 0 132 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.886 107.1 57.9 -76.5 -39.5 20.3 71.1 52.0 57 64 X F T 3> S+ 0 0 109 1,-0.2 4,-1.2 2,-0.1 -4,-0.1 0.072 75.8 101.3 -78.8 18.4 19.0 68.8 49.2 58 65 X F H <> S+ 0 0 34 -3,-0.9 4,-1.6 1,-0.2 -1,-0.2 0.946 78.9 52.9 -60.5 -52.0 16.6 71.5 47.9 59 66 X G H <> S+ 0 0 44 -3,-0.7 4,-2.1 -4,-0.2 -1,-0.2 0.735 102.8 58.1 -61.1 -27.4 18.9 72.5 45.1 60 67 X G H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.966 105.6 47.9 -65.7 -54.5 19.2 68.9 43.8 61 68 X L H X S+ 0 0 47 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.870 116.2 45.0 -47.8 -45.8 15.5 68.5 43.3 62 69 X V H X S+ 0 0 9 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.889 111.3 51.7 -70.2 -46.4 15.4 71.9 41.4 63 70 X S H >< S+ 0 0 80 -4,-2.1 3,-0.6 -5,-0.2 4,-0.3 0.927 114.0 44.9 -55.6 -47.0 18.4 71.2 39.3 64 71 X F H >< S+ 0 0 37 -4,-2.6 3,-1.7 1,-0.2 4,-0.2 0.931 107.8 52.7 -71.5 -50.0 17.0 67.9 38.2 65 72 X I H 3< S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.3 3,-0.2 0.636 112.4 48.5 -64.1 -10.4 13.4 68.9 37.4 66 73 X T T << S+ 0 0 37 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.425 88.4 85.5-105.6 -1.6 14.8 71.7 35.1 67 74 X S S < S- 0 0 82 -3,-1.7 -1,-0.1 -4,-0.3 -2,-0.1 0.474 103.4 -8.1 -79.2 -7.9 17.3 69.5 33.3 68 75 X G S S- 0 0 13 -3,-0.2 -57,-0.1 -4,-0.2 2,-0.1 -0.964 93.9 -46.7-169.4 179.7 14.8 68.3 30.7 69 76 X P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 -56,-0.3 -0.364 43.6-165.2 -65.2 143.5 11.1 68.2 29.6 70 77 X V E - C 0 38A 0 -32,-2.5 -32,-2.3 -57,-0.1 2,-0.6 -0.955 13.7-141.0-120.5 142.5 8.4 67.3 32.0 71 78 X V E -AC 8 37A 8 -63,-1.7 -63,-2.8 -2,-0.3 2,-0.4 -0.960 21.9-164.6-108.5 124.8 4.8 66.3 31.1 72 79 X A E +AC 7 36A 0 -36,-2.7 -36,-2.1 -2,-0.6 2,-0.3 -0.853 14.3 164.4-110.0 136.8 2.3 67.9 33.5 73 80 X X E -AC 6 35A 0 -67,-2.5 -67,-3.1 -2,-0.4 2,-0.4 -0.994 26.4-149.8-149.4 154.9 -1.2 66.8 33.8 74 81 X V E -AC 5 34A 0 -40,-1.2 -41,-2.1 -2,-0.3 -40,-1.4 -0.994 15.6-166.2-124.2 138.7 -4.3 66.9 36.0 75 82 X F E -AC 4 32A 0 -71,-1.3 -71,-1.6 -2,-0.4 2,-0.4 -0.878 8.2-144.7-116.8 152.7 -7.0 64.1 36.2 76 83 X E E +AC 3 31A 27 -45,-2.1 -45,-2.0 -2,-0.3 2,-0.3 -0.971 38.9 96.2-127.8 130.4 -10.5 64.3 37.7 77 84 X G S > S- 0 0 1 -75,-1.6 3,-1.7 -2,-0.4 2,-0.2 -0.938 71.2 -44.2 175.3 177.8 -12.6 61.7 39.6 78 85 X K T 3 S- 0 0 150 1,-0.3 5,-0.1 -2,-0.3 -2,-0.0 -0.387 121.9 -10.8 -61.4 120.8 -13.7 60.3 42.9 79 86 X G T 3> S+ 0 0 30 -2,-0.2 4,-2.1 1,-0.1 -1,-0.3 0.791 85.6 154.3 57.2 32.7 -10.8 60.0 45.4 80 87 X V H <> + 0 0 0 -3,-1.7 4,-2.2 1,-0.2 5,-0.1 0.792 62.9 57.4 -62.0 -29.3 -8.4 60.7 42.5 81 88 X V H > S+ 0 0 8 -4,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.959 113.9 33.9 -68.5 -53.8 -5.7 62.1 44.9 82 89 X A H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.887 119.5 53.6 -70.4 -39.5 -5.2 59.1 47.2 83 90 X S H X S+ 0 0 25 -4,-2.1 4,-2.1 1,-0.2 3,-0.3 0.901 104.2 53.9 -60.3 -46.8 -5.9 56.6 44.4 84 91 X A H X S+ 0 0 1 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.844 108.4 50.1 -62.1 -33.3 -3.2 58.1 42.1 85 92 X R H X S+ 0 0 109 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.814 107.4 53.5 -72.1 -34.8 -0.6 57.7 44.8 86 93 X L H < S+ 0 0 143 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.904 109.5 49.4 -65.4 -41.2 -1.6 54.1 45.4 87 94 X X H < S+ 0 0 39 -4,-2.1 14,-2.0 1,-0.2 -2,-0.2 0.817 111.9 48.1 -65.5 -34.7 -1.1 53.5 41.6 88 95 X I H < S- 0 0 4 -4,-1.5 14,-2.3 1,-0.3 15,-0.5 0.905 103.4-143.1 -72.3 -44.5 2.4 55.2 41.7 89 96 X G < - 0 0 21 -4,-2.3 -1,-0.3 12,-0.1 2,-0.2 -0.862 31.3 -41.1 114.2-151.5 3.7 53.3 44.7 90 97 X V - 0 0 81 -2,-0.3 6,-0.2 2,-0.3 5,-0.1 -0.662 62.9 -89.9-114.4 169.8 5.9 54.4 47.6 91 98 X T S S+ 0 0 93 -2,-0.2 3,-0.1 1,-0.1 5,-0.0 0.846 112.9 60.4 -52.1 -47.8 9.0 56.6 47.6 92 99 X N S >> S- 0 0 65 1,-0.2 3,-1.4 18,-0.0 4,-0.6 -0.762 70.6-158.6 -83.5 113.0 11.6 53.8 47.1 93 100 X P G >4 S+ 0 0 2 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.854 90.9 63.6 -58.8 -35.4 10.8 52.0 43.8 94 101 X L G 34 S+ 0 0 119 1,-0.2 -3,-0.1 13,-0.2 13,-0.0 0.703 109.1 40.3 -56.2 -26.5 12.7 48.9 45.0 95 102 X A G <4 S+ 0 0 71 -3,-1.4 -1,-0.2 -5,-0.1 2,-0.1 0.457 91.6 106.9-105.7 -7.2 10.0 48.5 47.7 96 103 X S S << S- 0 0 13 -3,-0.9 -7,-0.1 -4,-0.6 3,-0.1 -0.453 77.1-105.2 -71.8 149.1 7.0 49.5 45.6 97 104 X A > - 0 0 63 -2,-0.1 3,-2.4 1,-0.1 6,-0.3 -0.472 33.4 -95.7 -85.0 146.9 4.8 46.5 44.7 98 105 X P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.341 114.3 41.1 -53.1 130.8 4.6 44.9 41.2 99 106 X G T 3 S+ 0 0 54 1,-0.7 2,-0.2 2,-0.1 -10,-0.0 0.002 93.3 100.8 113.9 -27.7 1.7 46.5 39.4 100 107 X S S <> S- 0 0 10 -3,-2.4 4,-1.7 1,-0.1 -1,-0.7 -0.559 83.6-115.6 -84.4 156.9 2.5 49.9 40.6 101 108 X I H > S+ 0 0 0 -14,-2.0 4,-2.1 2,-0.2 5,-0.4 0.937 116.3 37.9 -61.2 -55.3 4.3 52.3 38.2 102 109 X R H > S+ 0 0 16 -14,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.867 114.3 57.9 -66.4 -33.6 7.5 52.7 40.3 103 110 X G H 4 S+ 0 0 26 -15,-0.5 -2,-0.2 -6,-0.3 -1,-0.2 0.854 115.3 35.6 -61.6 -33.4 7.2 49.0 41.2 104 111 X D H < S+ 0 0 76 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.797 134.8 18.7 -88.1 -36.9 7.3 48.0 37.5 105 112 X F H < S+ 0 0 62 -4,-2.1 2,-0.2 -5,-0.2 -3,-0.2 0.654 102.9 84.0-116.0 -24.8 9.7 50.6 36.1 106 113 X G < + 0 0 11 -4,-1.8 6,-0.1 -5,-0.4 -10,-0.1 -0.555 26.7 161.9 -99.8 156.3 11.8 52.2 38.8 107 114 X V + 0 0 105 4,-0.5 2,-0.4 1,-0.2 -13,-0.2 0.567 63.4 52.4-137.1 -20.5 15.0 51.4 40.7 108 115 X D B > -D 111 0B 96 3,-0.5 3,-1.3 1,-0.1 -1,-0.2 -0.968 66.4-134.1-131.0 140.2 16.4 54.6 42.4 109 116 X V T > S+ 0 0 74 -2,-0.4 3,-0.6 1,-0.3 -1,-0.1 0.869 109.5 49.6 -58.2 -41.8 14.8 57.2 44.7 110 117 X G T 3 S+ 0 0 39 1,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.591 115.0 45.0 -73.1 -13.5 16.2 60.1 42.8 111 118 X R B < +D 108 0B 122 -3,-1.3 -3,-0.5 1,-0.1 -4,-0.5 -0.507 69.2 142.3-127.4 60.5 14.9 58.6 39.5 112 119 X N < - 0 0 10 -3,-0.6 2,-2.4 -6,-0.1 -6,-0.1 0.056 51.9-135.6-102.8 25.6 11.5 57.6 40.5 113 120 X I + 0 0 0 -8,-0.1 -104,-1.7 -105,-0.1 -101,-0.4 -0.243 66.7 16.5 78.9 -55.7 9.7 58.6 37.2 114 121 X I E -B 8 0A 0 -2,-2.4 2,-0.3 -106,-0.3 -106,-0.2 -0.973 56.1-161.2-148.1 151.5 6.5 60.4 38.3 115 122 X X E -B 7 0A 27 -108,-2.3 -108,-2.4 -2,-0.3 2,-0.3 -0.998 2.0-162.8-144.2 162.0 4.9 62.1 41.2 116 123 X G E -B 6 0A 10 -2,-0.3 -110,-0.2 -110,-0.2 -35,-0.0 -0.838 39.0 -78.0-126.5 164.2 1.5 63.2 42.4 117 124 X S - 0 0 0 -112,-1.6 -32,-0.1 -2,-0.3 3,-0.1 -0.307 32.0-146.3 -59.2 141.3 -0.1 65.6 44.9 118 125 X D S S+ 0 0 90 1,-0.1 2,-0.3 -33,-0.0 -1,-0.1 0.482 75.9 6.2 -94.4 -1.4 0.0 64.2 48.5 119 126 X S S > S- 0 0 31 1,-0.1 4,-2.2 -38,-0.0 -1,-0.1 -0.966 79.5 -99.4-163.8 169.9 -3.3 65.8 49.6 120 127 X V H > S+ 0 0 60 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.854 121.2 52.0 -67.1 -33.8 -6.2 67.8 48.3 121 128 X E H > S+ 0 0 146 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 110.4 47.8 -69.9 -45.9 -4.8 71.1 49.6 122 129 X S H > S+ 0 0 21 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.938 109.2 55.2 -54.2 -49.7 -1.4 70.5 47.9 123 130 X A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.884 107.1 48.1 -55.0 -45.6 -3.2 69.6 44.6 124 131 X N H X S+ 0 0 105 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.881 114.9 46.4 -64.5 -39.4 -5.1 72.9 44.5 125 132 X R H X S+ 0 0 99 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.978 116.6 43.8 -61.0 -58.3 -1.9 74.8 45.1 126 133 X E H X S+ 0 0 15 -4,-3.0 4,-1.9 1,-0.2 5,-0.2 0.837 112.5 51.9 -55.4 -43.4 0.1 72.8 42.5 127 134 X I H X S+ 0 0 13 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.946 110.3 47.2 -63.8 -48.9 -2.7 72.9 39.9 128 135 X A H < S+ 0 0 78 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.755 113.2 52.4 -63.5 -23.8 -3.0 76.7 40.0 129 136 X L H < S+ 0 0 60 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.854 117.3 32.3 -80.4 -41.7 0.8 77.0 39.8 130 137 X W H < S+ 0 0 13 -4,-1.9 2,-0.5 1,-0.2 -2,-0.2 0.714 119.2 51.7 -88.6 -24.0 1.5 74.9 36.7 131 138 X F < - 0 0 6 -4,-2.1 -1,-0.2 -5,-0.2 5,-0.1 -0.948 67.9-141.0-129.9 116.5 -1.8 75.6 34.8 132 139 X K > - 0 0 135 -2,-0.5 3,-1.9 1,-0.1 4,-0.3 -0.435 38.4-111.7 -58.9 143.0 -3.6 78.9 33.8 133 140 X P G > S+ 0 0 107 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.673 115.3 61.0 -56.4 -21.6 -7.4 78.4 34.2 134 141 X E G 3 S+ 0 0 149 1,-0.2 4,-0.1 4,-0.0 -2,-0.0 0.619 96.3 62.4 -82.5 -11.9 -8.0 78.5 30.4 135 142 X E G < S+ 0 0 83 -3,-1.9 2,-0.4 2,-0.1 -100,-0.3 0.517 94.7 79.9 -80.3 -10.6 -5.8 75.4 30.0 136 143 X L S < S- 0 0 24 -3,-0.7 -102,-0.2 -4,-0.3 2,-0.1 -0.825 85.6-113.4-107.5 139.4 -8.2 73.4 32.1 137 144 X L - 0 0 89 -104,-1.6 3,-0.1 -2,-0.4 -2,-0.1 -0.436 22.8-172.5 -66.4 137.7 -11.5 71.8 31.1 138 145 X T S S+ 0 0 124 1,-0.2 2,-0.7 -2,-0.1 -1,-0.2 0.834 74.6 53.5 -96.5 -48.1 -14.6 73.3 32.7 139 146 X E S S- 0 0 162 2,-0.0 2,-0.5 0, 0.0 -1,-0.2 -0.813 70.4-172.4 -97.5 110.3 -17.1 70.7 31.5 140 147 X V - 0 0 32 -2,-0.7 -107,-0.0 -3,-0.1 -109,-0.0 -0.894 7.3-175.2-103.8 128.6 -16.3 67.1 32.2 141 148 X K - 0 0 185 -2,-0.5 2,-0.3 3,-0.0 -2,-0.0 -0.929 11.5-179.4-122.5 103.5 -18.3 64.2 30.8 142 149 X P - 0 0 47 0, 0.0 5,-0.1 0, 0.0 4,-0.1 -0.710 42.9 -73.5 -94.8 154.7 -17.2 60.7 32.1 143 150 X N >> - 0 0 91 -2,-0.3 3,-1.0 1,-0.2 4,-0.5 -0.098 33.3-142.8 -28.4 125.2 -18.6 57.3 31.2 144 151 X P T 34 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.592 99.3 71.4 -74.9 -10.0 -22.0 56.8 32.9 145 152 X N T 34 S+ 0 0 145 1,-0.2 -2,-0.1 3,-0.0 3,-0.1 0.378 92.8 57.6 -81.5 5.5 -20.8 53.2 33.4 146 153 X L T <4 S+ 0 0 76 -3,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.768 103.7 44.0-105.1 -39.8 -18.4 54.4 36.0 147 154 X Y < 0 0 90 -4,-0.5 -1,-0.2 -5,-0.1 0, 0.0 -0.865 360.0 360.0-115.3 150.8 -20.6 56.2 38.6 148 155 X E 0 0 246 -2,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 -0.400 360.0 360.0 -96.8 360.0 -23.9 55.1 40.2