==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER AMINOHYDROLASE 29-FEB-96 1FKW . COMPND 2 MOLECULE: ADENOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR D.K.WILSON,F.A.QUIOCHO . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.3 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 . 19 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 1 1 1 1 3 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 2 1 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 4 A T 0 0 170 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 86.7 -9.1 31.6 13.9 2 5 A P - 0 0 64 0, 0.0 3,-0.4 0, 0.0 300,-0.0 -0.413 360.0-128.3 -65.9 147.0 -6.9 32.1 17.0 3 6 A A S S+ 0 0 13 1,-0.3 2,-0.3 299,-0.1 299,-0.0 0.816 103.1 17.8 -64.4 -32.9 -8.7 33.4 20.0 4 7 A F - 0 0 3 2,-0.1 2,-1.7 315,-0.0 -1,-0.3 -0.773 69.0-172.2-145.5 91.9 -6.1 36.1 20.4 5 8 A N + 0 0 131 -3,-0.4 86,-0.1 -2,-0.3 3,-0.0 -0.402 57.4 89.6 -82.8 55.8 -4.0 36.6 17.3 6 9 A K S S- 0 0 60 -2,-1.7 -2,-0.1 85,-0.1 342,-0.1 -0.945 89.3 -63.9-146.4 164.4 -1.5 39.0 19.0 7 10 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 85,-0.2 -0.138 56.5-167.4 -50.1 142.0 1.8 38.8 20.9 8 11 A K E -a 92 0A 11 83,-1.4 85,-2.3 -3,-0.0 86,-1.0 -0.871 18.7-139.4-133.3 166.2 1.5 37.0 24.2 9 12 A V E -a 94 0A 1 -2,-0.3 2,-0.5 83,-0.2 280,-0.3 -0.994 14.8-163.6-127.0 130.4 3.5 36.4 27.4 10 13 A E E +a 95 0A 0 84,-2.3 86,-2.1 -2,-0.4 3,-0.1 -0.975 17.9 167.5-122.0 125.4 3.7 33.0 29.1 11 14 A L E + 0 0 0 -2,-0.5 2,-0.4 84,-0.2 -1,-0.1 0.569 66.0 57.0-108.1 -11.6 4.9 32.6 32.7 12 15 A H E + 0 0 0 277,-0.1 280,-1.8 246,-0.1 2,-0.3 -0.669 62.5 112.3-134.5 90.2 3.9 29.0 33.4 13 16 A V E -ab 97 292A 0 83,-0.7 85,-2.7 -2,-0.4 2,-0.4 -0.995 50.4-132.0-154.6 136.5 5.0 26.0 31.4 14 17 A H E > -a 98 0A 18 278,-3.0 3,-1.5 -2,-0.3 85,-0.2 -0.815 8.9-144.9 -94.0 133.8 7.2 23.1 32.2 15 18 A L G > S+ 0 0 1 83,-2.8 3,-2.1 -2,-0.4 -1,-0.1 0.938 102.9 52.1 -60.1 -46.6 10.0 22.1 29.7 16 19 A D G 3 S+ 0 0 9 82,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.455 109.6 51.3 -70.6 -1.5 9.6 18.4 30.5 17 20 A G G < S+ 0 0 0 -3,-1.5 278,-2.3 275,-0.2 279,-0.5 0.211 103.6 60.6-114.8 10.0 5.8 18.8 29.8 18 21 A A S < S+ 0 0 3 -3,-2.1 2,-0.3 276,-0.2 -1,-0.1 -0.473 72.8 128.4-135.0 58.2 6.3 20.5 26.5 19 22 A I - 0 0 8 -3,-0.2 3,-0.0 274,-0.0 60,-0.0 -0.837 60.2-110.0-115.0 151.7 8.2 17.9 24.4 20 23 A K >> - 0 0 61 -2,-0.3 4,-1.9 1,-0.1 3,-1.0 -0.695 15.6-134.0 -82.1 134.3 7.2 16.7 20.9 21 24 A P H 3> S+ 0 0 10 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.895 108.5 58.8 -52.8 -34.7 6.0 13.1 20.7 22 25 A E H 3> S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.829 105.1 45.4 -62.0 -40.7 8.4 12.9 17.7 23 26 A T H <> S+ 0 0 0 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.828 112.5 52.2 -74.5 -29.4 11.5 13.7 19.7 24 27 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.947 111.3 47.4 -69.2 -46.4 10.4 11.3 22.5 25 28 A L H X S+ 0 0 27 -4,-2.9 4,-2.0 -5,-0.2 5,-0.3 0.922 109.1 55.3 -62.0 -43.5 10.0 8.6 19.8 26 29 A Y H X S+ 0 0 91 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.944 112.9 39.1 -57.9 -53.6 13.4 9.4 18.3 27 30 A F H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.733 108.5 62.7 -73.2 -19.9 15.4 9.0 21.6 28 31 A G H X>S+ 0 0 1 -4,-1.8 5,-2.4 2,-0.2 4,-1.3 0.988 114.4 33.8 -64.5 -52.2 13.4 6.0 22.7 29 32 A K H <5S+ 0 0 154 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.942 115.6 57.4 -67.0 -46.2 14.6 4.1 19.7 30 33 A K H <5S+ 0 0 111 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.782 120.0 29.6 -56.8 -32.6 18.0 5.7 19.6 31 34 A R H <5S- 0 0 83 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.504 107.3-121.3-103.8 -10.2 18.8 4.6 23.2 32 35 A G T <5 + 0 0 67 -4,-1.3 2,-0.4 -3,-0.4 -3,-0.2 0.968 61.0 145.9 68.4 48.5 16.7 1.5 23.1 33 36 A I < - 0 0 53 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.2 -0.952 50.2-110.0-115.9 139.8 14.5 2.6 26.0 34 37 A A - 0 0 91 -2,-0.4 34,-0.1 -3,-0.1 -5,-0.0 -0.465 28.4-168.8 -81.3 142.7 10.9 1.4 25.9 35 38 A L - 0 0 22 -2,-0.2 30,-0.1 2,-0.1 29,-0.0 -0.801 35.7-113.9-116.8 162.3 7.9 3.7 25.4 36 39 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 29,-0.0 0.460 99.2 17.4 -76.5 -0.4 4.3 2.6 25.8 37 40 A A - 0 0 10 1,-0.0 -2,-0.1 6,-0.0 3,-0.0 -0.972 60.2-143.6-162.3 160.9 3.7 3.0 22.1 38 41 A D S S+ 0 0 107 -2,-0.3 2,-0.3 -3,-0.0 3,-0.1 0.118 79.2 69.4-122.6 25.8 5.7 3.2 18.8 39 42 A T S > S- 0 0 74 1,-0.1 4,-3.5 0, 0.0 5,-0.3 -0.996 79.7-127.0-140.4 137.9 3.6 5.7 16.8 40 43 A V H > S+ 0 0 27 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.894 111.8 51.9 -56.7 -36.5 3.3 9.4 17.6 41 44 A E H > S+ 0 0 106 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.925 115.9 37.4 -65.6 -47.6 -0.5 9.1 17.6 42 45 A E H > S+ 0 0 88 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.839 116.2 53.9 -75.3 -27.7 -0.6 6.2 20.0 43 46 A L H X S+ 0 0 0 -4,-3.5 4,-2.6 1,-0.2 5,-0.3 0.902 108.9 50.1 -68.5 -36.5 2.2 7.7 22.0 44 47 A R H X S+ 0 0 79 -4,-2.6 4,-1.2 -5,-0.3 -1,-0.2 0.721 109.7 50.3 -73.5 -23.4 0.1 10.8 22.2 45 48 A N H < S+ 0 0 81 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.680 114.1 44.0 -87.1 -23.8 -3.0 8.9 23.4 46 49 A I H < S+ 0 0 49 -4,-1.3 -2,-0.2 -3,-0.2 -3,-0.2 0.909 123.5 34.7 -81.7 -54.7 -1.0 7.1 26.1 47 50 A I H < S+ 0 0 0 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.923 111.1 74.3 -65.4 -45.6 0.9 10.2 27.4 48 51 A G S < S- 0 0 4 -4,-1.2 2,-0.4 -5,-0.3 249,-0.2 -0.171 77.5-125.6 -69.2 163.3 -1.9 12.6 26.8 49 52 A M + 0 0 8 247,-2.2 -1,-0.1 1,-0.1 -3,-0.1 -0.923 25.8 173.4-117.6 134.2 -5.1 13.1 28.8 50 53 A D S S+ 0 0 102 -2,-0.4 -1,-0.1 1,-0.2 247,-0.0 0.702 74.3 28.0-102.5 -33.2 -8.7 13.0 27.6 51 54 A K S S- 0 0 148 214,-0.1 -1,-0.2 1,-0.0 214,-0.1 -0.907 97.8 -76.7-129.6 161.3 -10.5 13.1 30.9 52 55 A P + 0 0 53 0, 0.0 214,-0.2 0, 0.0 2,-0.2 -0.216 47.2 176.8 -58.0 138.6 -9.8 14.5 34.3 53 56 A L - 0 0 75 212,-2.4 2,-0.2 1,-0.1 -4,-0.0 -0.456 35.9 -90.8-121.2-165.4 -7.4 12.6 36.5 54 57 A S > - 0 0 64 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.605 39.3-103.3-103.2 174.5 -6.1 13.5 39.9 55 58 A L H > S+ 0 0 9 -2,-0.2 4,-2.4 2,-0.2 5,-0.1 0.946 123.9 44.7 -65.0 -44.6 -2.9 15.4 40.5 56 59 A P H > S+ 0 0 56 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.871 114.9 49.7 -67.0 -32.9 -1.0 12.3 41.5 57 60 A G H >4 S+ 0 0 25 2,-0.2 3,-0.5 1,-0.2 4,-0.3 0.900 112.6 45.0 -70.8 -43.1 -2.5 10.4 38.6 58 61 A F H >< S+ 0 0 7 -4,-2.5 3,-2.1 1,-0.2 4,-0.3 0.915 105.9 61.7 -65.0 -43.1 -1.7 13.0 36.0 59 62 A L H >< S+ 0 0 50 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.745 94.0 66.2 -56.9 -23.5 1.8 13.4 37.4 60 63 A A G XX S+ 0 0 42 -4,-0.7 3,-1.8 -3,-0.5 4,-0.5 0.691 76.8 81.3 -72.7 -22.0 2.5 9.7 36.5 61 64 A K G X4 S+ 0 0 31 -3,-2.1 3,-1.0 -4,-0.3 4,-0.5 0.805 83.5 64.8 -55.9 -26.0 2.3 10.4 32.8 62 65 A F G X> S+ 0 0 20 -3,-0.9 4,-2.5 -4,-0.3 3,-0.5 0.753 84.8 72.5 -67.7 -27.0 5.9 11.6 33.1 63 66 A D G <4 S+ 0 0 100 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.814 89.8 62.5 -56.4 -33.1 7.0 8.1 34.0 64 67 A Y G << S+ 0 0 98 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.881 122.6 8.1 -61.7 -43.0 6.4 7.0 30.4 65 68 A Y T X> S+ 0 0 0 -3,-0.5 3,-1.9 -4,-0.5 4,-0.9 0.697 99.5 87.9-117.5 -24.9 9.0 9.3 28.7 66 69 A M H >X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.3 3,-1.1 0.892 88.6 60.0 -47.6 -39.1 11.2 11.1 31.2 67 70 A P H 34 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.843 98.8 58.3 -60.7 -26.5 13.6 8.1 31.1 68 71 A V H <4 S+ 0 0 0 -3,-1.9 -2,-0.2 1,-0.1 7,-0.1 0.817 117.1 30.8 -69.5 -31.5 14.1 8.6 27.4 69 72 A I H X< S+ 0 0 0 -3,-1.1 3,-2.2 -4,-0.9 7,-0.4 0.855 96.9 94.6 -93.8 -49.4 15.4 12.2 27.8 70 73 A A T 3< S+ 0 0 0 -4,-2.6 35,-0.2 1,-0.3 34,-0.1 -0.091 92.7 17.8 -48.3 140.9 17.1 12.1 31.2 71 74 A G T 3 S+ 0 0 12 33,-2.7 2,-0.7 1,-0.1 -1,-0.3 0.312 98.2 108.5 79.7 -14.8 20.8 11.5 31.1 72 75 A C <> - 0 0 29 -3,-2.2 4,-2.9 1,-0.2 5,-0.2 -0.871 48.8-166.7-104.9 111.4 21.2 12.4 27.4 73 76 A R H > S+ 0 0 92 -2,-0.7 4,-2.6 1,-0.2 5,-0.3 0.901 91.1 52.0 -53.5 -48.8 23.0 15.7 26.7 74 77 A E H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 113.7 44.8 -57.7 -40.1 21.9 15.8 23.1 75 78 A A H > S+ 0 0 0 2,-0.2 4,-3.1 -6,-0.2 5,-0.3 0.949 111.4 50.5 -72.0 -49.7 18.3 15.3 24.1 76 79 A I H X S+ 0 0 0 -4,-2.9 4,-1.4 -7,-0.4 -2,-0.2 0.932 115.8 43.5 -53.1 -50.3 18.3 17.8 27.0 77 80 A K H X S+ 0 0 48 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.925 114.1 51.4 -63.1 -42.7 19.7 20.5 24.7 78 81 A R H X S+ 0 0 78 -4,-2.1 4,-3.0 -5,-0.3 5,-0.2 0.906 106.7 50.6 -62.4 -47.2 17.4 19.6 21.8 79 82 A I H X S+ 0 0 3 -4,-3.1 4,-0.9 1,-0.2 -1,-0.2 0.856 110.5 52.7 -62.6 -30.8 14.2 19.7 23.8 80 83 A A H >X S+ 0 0 0 -4,-1.4 4,-1.5 -5,-0.3 3,-0.7 0.964 111.3 45.0 -67.0 -50.4 15.3 23.2 25.0 81 84 A Y H 3X S+ 0 0 73 -4,-2.3 4,-1.5 1,-0.2 3,-0.3 0.943 113.8 49.1 -59.7 -46.6 15.9 24.4 21.4 82 85 A E H 3X S+ 0 0 19 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.682 102.5 63.3 -68.1 -19.0 12.6 22.9 20.2 83 86 A F H S+ 0 0 0 -4,-2.5 5,-1.7 2,-0.2 4,-0.5 0.903 107.5 58.3 -61.7 -39.2 6.5 29.0 21.6 88 91 A A H ><5S+ 0 0 24 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.948 106.7 49.0 -55.0 -48.9 7.6 31.2 18.6 89 92 A K H 3<5S+ 0 0 152 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.776 103.6 58.9 -62.9 -31.2 4.9 29.7 16.5 90 93 A E H 3<5S- 0 0 33 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.546 119.6-109.5 -75.1 -7.3 2.2 30.2 19.1 91 94 A G T <<5 + 0 0 30 -3,-1.7 -83,-1.4 -4,-0.5 2,-0.6 0.843 65.2 152.7 82.2 36.7 3.0 34.0 18.9 92 95 A V E < -a 8 0A 0 -5,-1.7 -1,-0.3 -85,-0.2 -83,-0.2 -0.887 24.9-175.2-102.3 122.6 4.6 34.2 22.3 93 96 A V E S+ 0 0 17 -85,-2.3 51,-2.3 -2,-0.6 2,-0.3 0.689 73.7 24.3 -89.1 -25.5 7.2 37.0 22.6 94 97 A Y E +ac 9 144A 1 -86,-1.0 -84,-2.3 49,-0.2 2,-0.3 -0.973 68.3 173.8-143.2 133.3 8.4 36.3 26.1 95 98 A V E -ac 10 145A 0 49,-1.8 51,-2.6 -2,-0.3 2,-0.5 -0.994 23.8-152.6-139.1 147.8 8.3 33.0 28.1 96 99 A E E - c 0 146A 0 -86,-2.1 -83,-0.7 -2,-0.3 2,-0.4 -0.982 22.9-161.5-119.2 117.0 9.6 31.7 31.4 97 100 A V E -ac 13 147A 1 49,-3.0 51,-2.5 -2,-0.5 2,-0.3 -0.882 5.3-159.6 -98.8 140.8 10.1 27.9 31.1 98 101 A R E +ac 14 148A 0 -85,-2.7 -83,-2.8 -2,-0.4 -82,-0.4 -0.843 20.1 145.7-123.8 153.0 10.4 25.8 34.2 99 102 A Y E - c 0 149A 0 49,-1.6 51,-2.7 -2,-0.3 79,-0.1 -0.978 47.5-101.3-169.5 165.9 11.8 22.4 35.0 100 103 A S - 0 0 2 -2,-0.3 4,-0.2 49,-0.2 3,-0.1 -0.874 21.5-162.1 -99.7 113.6 13.6 20.3 37.6 101 104 A P S >> S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.912 89.4 58.9 -61.8 -34.5 17.3 20.0 36.8 102 105 A H G >4 S+ 0 0 0 48,-0.3 3,-1.3 1,-0.3 49,-0.0 0.911 96.6 58.4 -60.7 -43.3 17.5 17.0 39.2 103 106 A L G 34 S+ 0 0 32 1,-0.3 -1,-0.3 -3,-0.1 -33,-0.2 0.469 109.5 46.5 -68.7 0.4 15.0 14.8 37.3 104 107 A L G <4 S+ 0 0 1 -3,-1.5 -33,-2.7 -4,-0.2 -1,-0.3 0.484 95.4 88.7-117.8 -6.7 17.1 15.1 34.2 105 108 A A << - 0 0 0 -3,-1.3 17,-0.2 -4,-0.6 3,-0.1 -0.376 49.6-168.5 -85.4 166.0 20.5 14.3 35.6 106 109 A N S S+ 0 0 15 15,-3.0 13,-2.1 1,-0.1 2,-0.3 0.057 70.1 59.7-141.5 21.2 22.0 10.8 36.0 107 110 A S S S+ 0 0 11 14,-1.0 -1,-0.1 11,-0.2 13,-0.1 -0.981 103.4 11.5-151.4 145.6 25.0 11.7 38.2 108 111 A K S S+ 0 0 158 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.876 92.9 117.0 51.4 47.4 25.3 13.3 41.6 109 112 A V - 0 0 11 13,-0.1 -1,-0.2 -3,-0.1 3,-0.0 -0.991 55.7-137.7-141.1 130.8 21.6 13.0 42.4 110 113 A D S S+ 0 0 136 -2,-0.4 2,-0.1 1,-0.3 47,-0.1 -0.980 91.6 35.0-139.2 124.4 20.2 10.9 45.2 111 114 A P S S- 0 0 60 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.530 98.8-128.9 -73.5 151.1 17.9 9.2 44.9 112 115 A M > - 0 0 49 -2,-0.1 3,-0.8 4,-0.1 -2,-0.1 -0.501 27.7-131.8 -68.1 117.9 18.8 8.4 41.3 113 116 A P G > S+ 0 0 15 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.322 78.2 10.7 -74.2 157.3 15.7 9.2 39.3 114 117 A W G 3 S- 0 0 60 1,-0.3 -2,-0.0 2,-0.0 -11,-0.0 0.643 115.1 -83.1 53.9 23.3 14.2 6.8 36.7 115 118 A N G < S+ 0 0 158 -3,-0.8 -1,-0.3 1,-0.1 2,-0.1 0.837 78.9 168.8 54.4 30.8 16.5 3.8 37.8 116 119 A Q < - 0 0 28 -3,-1.8 2,-0.4 1,-0.1 -1,-0.1 -0.345 36.9-115.0 -71.5 163.7 19.2 5.3 35.6 117 120 A T - 0 0 126 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.780 47.8 -83.5 -98.9 136.5 22.7 4.0 35.7 118 121 A E + 0 0 134 -2,-0.4 -11,-0.2 1,-0.1 2,-0.2 -0.057 65.0 155.6 -39.3 134.9 25.4 6.5 37.0 119 122 A G - 0 0 34 -13,-2.1 -11,-0.1 2,-0.1 -1,-0.1 -0.394 52.6 -92.8-137.9-143.2 26.5 8.7 34.1 120 123 A D S S+ 0 0 98 -49,-0.2 2,-1.4 -2,-0.2 -13,-0.1 0.350 80.4 111.4-127.8 2.2 28.1 12.2 33.8 121 124 A V - 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0 0 7 -6,-2.5 2,-0.2 -3,-0.4 -1,-0.1 -0.438 12.0-151.6 -75.6 154.8 -13.3 36.8 27.9 315 318 A T > - 0 0 75 -2,-0.1 4,-2.4 1,-0.1 3,-0.4 -0.730 30.6-105.9-120.4 172.1 -12.7 39.6 25.4 316 319 A E H > S+ 0 0 88 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.818 120.4 62.4 -66.8 -29.9 -9.7 40.9 23.5 317 320 A E H > S+ 0 0 166 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.857 108.7 40.8 -61.1 -39.7 -9.7 43.9 25.9 318 321 A E H > S+ 0 0 7 -3,-0.4 4,-3.1 2,-0.2 5,-0.3 0.890 110.0 57.9 -77.8 -41.0 -9.0 41.4 28.7 319 322 A F H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.889 110.6 44.2 -56.5 -41.1 -6.5 39.3 26.7 320 323 A K H X S+ 0 0 47 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.906 113.7 51.8 -70.6 -39.0 -4.4 42.5 26.2 321 324 A R H >X S+ 0 0 55 -4,-1.4 4,-2.0 1,-0.2 3,-0.6 0.944 109.7 46.1 -63.7 -51.8 -4.8 43.5 29.9 322 325 A L H 3X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.855 110.0 55.0 -64.2 -30.1 -3.8 40.2 31.4 323 326 A N H 3X S+ 0 0 2 -4,-1.4 4,-1.4 -5,-0.3 -1,-0.2 0.792 105.7 52.2 -72.8 -26.0 -0.7 40.1 29.0 324 327 A I H < S+ 0 0 0 -4,-1.4 3,-1.0 2,-0.2 5,-0.2 0.915 113.7 47.9 -71.5 -41.2 4.9 41.4 31.5 328 331 A K H 3< S+ 0 0 99 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.879 115.9 46.0 -65.5 -36.2 4.8 43.6 34.6 329 332 A S T 3< S+ 0 0 20 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.337 88.3 114.4 -87.5 3.2 4.9 40.5 36.8 330 333 A S S < S- 0 0 4 -3,-1.0 -3,-0.1 -4,-0.2 -319,-0.0 -0.193 74.5-121.4 -67.5 168.3 7.7 38.7 34.9 331 334 A F + 0 0 6 -124,-0.0 -124,-0.1 2,-0.0 -1,-0.1 -0.035 69.2 128.9-103.0 32.0 11.1 38.1 36.6 332 335 A L S S- 0 0 5 -5,-0.2 -186,-0.0 1,-0.1 5,-0.0 -0.517 70.2 -99.2 -84.8 147.3 13.0 40.1 33.9 333 336 A P > - 0 0 46 0, 0.0 4,-2.9 0, 0.0 3,-0.4 -0.345 44.1 -97.8 -63.1 158.2 15.3 42.9 35.2 334 337 A E H > S+ 0 0 110 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.854 121.5 48.1 -43.8 -53.8 13.7 46.4 35.1 335 338 A E H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 115.0 44.7 -60.2 -41.1 15.3 47.5 31.8 336 339 A E H > S+ 0 0 47 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.896 111.3 55.5 -72.2 -29.8 14.3 44.3 30.0 337 340 A K H X S+ 0 0 42 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.920 106.7 49.2 -66.9 -41.7 10.9 44.6 31.6 338 341 A K H X S+ 0 0 112 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.951 109.9 52.3 -59.8 -50.8 10.5 48.1 30.1 339 342 A E H X S+ 0 0 95 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.895 108.7 49.9 -53.0 -43.8 11.5 46.9 26.7 340 343 A L H X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.954 112.0 48.1 -59.5 -50.4 8.9 44.1 26.8 341 344 A L H X S+ 0 0 36 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.876 109.4 52.4 -58.2 -41.5 6.2 46.5 27.8 342 345 A E H X S+ 0 0 127 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.971 109.6 50.9 -57.2 -52.0 7.1 48.9 25.1 343 346 A R H X S+ 0 0 85 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.896 111.4 46.0 -53.0 -52.5 6.9 46.1 22.6 344 347 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.921 110.4 51.3 -62.4 -46.2 3.5 44.9 23.7 345 348 A Y H < S+ 0 0 151 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.908 110.6 51.3 -59.3 -37.1 1.9 48.4 23.8 346 349 A R H < S+ 0 0 162 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.965 114.9 41.0 -62.6 -51.5 3.2 49.0 20.2 347 350 A E H < 0 0 73 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.654 360.0 360.0 -74.2 -14.6 1.7 45.8 18.9 348 351 A Y < 0 0 46 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.503 360.0 360.0 -92.0 360.0 -1.5 46.2 20.9