==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-AUG-11 3TF3 . COMPND 2 MOLECULE: ARGINASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.L.D'ANTONIO,D.W.CHRISTIANSON . 628 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 445 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.2 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 0.2 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 . 49 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 2 2 0 0 2 2 0 0 2 0 0 1 1 0 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 1 6 4 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 R 0 0 104 0, 0.0 40,-1.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 145.3 18.9 -11.3 5.2 2 7 A T E -a 41 0A 34 38,-0.2 86,-2.9 84,-0.1 2,-0.2 -0.864 360.0-167.9-102.3 122.4 17.6 -8.3 3.3 3 8 A I E -ab 42 88A 0 38,-1.9 40,-1.8 -2,-0.6 2,-0.5 -0.691 20.5-154.4-108.7 158.0 19.9 -6.8 0.7 4 9 A G E -ab 43 89A 0 84,-2.9 86,-2.5 -2,-0.2 2,-0.3 -0.933 23.2-146.8-131.3 103.2 20.0 -3.6 -1.3 5 10 A I E -ab 44 90A 0 38,-1.9 40,-3.1 -2,-0.5 2,-0.5 -0.583 16.1-176.0 -80.1 131.0 21.9 -4.1 -4.6 6 11 A I E - b 0 91A 2 84,-2.7 86,-2.4 -2,-0.3 2,-0.5 -0.983 15.0-148.9-127.4 117.7 23.9 -1.2 -6.0 7 12 A G E -ab 47 92A 0 39,-3.3 41,-3.3 -2,-0.5 86,-0.2 -0.757 12.7-173.6 -86.4 127.6 25.7 -1.5 -9.3 8 13 A A - 0 0 0 84,-2.9 2,-2.1 -2,-0.5 86,-0.1 -0.656 3.3-177.1-123.4 76.6 28.9 0.5 -9.4 9 14 A P + 0 0 37 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.470 35.0 132.4 -73.5 76.6 30.3 0.4 -13.0 10 15 A F + 0 0 15 -2,-2.1 85,-1.5 9,-0.2 88,-0.1 -0.969 23.9 160.3-131.8 146.8 33.5 2.4 -12.4 11 16 A S > + 0 0 11 -2,-0.3 3,-2.3 83,-0.2 125,-0.1 0.491 46.0 104.7-138.3 -14.2 37.1 1.8 -13.4 12 17 A K T 3 + 0 0 91 1,-0.3 123,-0.3 83,-0.1 56,-0.2 0.425 65.9 81.4 -58.5 4.1 39.0 5.1 -13.2 13 18 A G T 3 S+ 0 0 0 121,-0.1 123,-2.4 122,-0.1 -1,-0.3 0.525 107.9 12.1 -84.2 -6.7 40.7 4.0 -10.0 14 19 A Q S < S- 0 0 6 -3,-2.3 81,-0.1 121,-0.2 490,-0.0 -0.953 86.6 -93.9-157.5 172.3 43.1 2.0 -12.2 15 20 A P S S+ 0 0 50 0, 0.0 2,-0.2 0, 0.0 489,-0.1 0.952 91.6 76.3 -58.5 -62.9 44.3 1.5 -15.8 16 21 A R > - 0 0 51 487,-0.2 3,-0.6 1,-0.1 486,-0.2 -0.372 61.1-159.4 -63.5 124.5 42.3 -1.4 -17.3 17 22 A G G > S+ 0 0 10 484,-2.3 3,-2.1 -2,-0.2 485,-0.2 0.800 70.8 85.3 -75.5 -32.0 38.8 -0.5 -18.2 18 23 A G G > + 0 0 3 1,-0.3 3,-1.7 484,-0.2 258,-0.2 0.569 69.1 85.2 -49.3 -12.1 36.9 -3.8 -18.4 19 24 A V G X S+ 0 0 0 -3,-0.6 3,-1.6 1,-0.3 -1,-0.3 0.728 74.1 71.1 -65.6 -21.0 36.2 -3.6 -14.6 20 25 A E G < S+ 0 0 57 -3,-2.1 4,-0.3 1,-0.3 -1,-0.3 0.592 87.1 66.5 -72.0 -6.6 33.1 -1.5 -15.2 21 26 A E G <> S+ 0 0 79 -3,-1.7 4,-2.6 1,-0.2 3,-0.4 0.524 73.7 97.8 -87.9 -7.6 31.4 -4.6 -16.7 22 27 A G H <> S+ 0 0 0 -3,-1.6 4,-2.5 251,-0.3 5,-0.3 0.915 81.1 46.3 -46.5 -59.5 31.5 -6.2 -13.2 23 28 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.859 114.3 52.6 -55.3 -33.4 27.9 -5.4 -12.2 24 29 A T H > S+ 0 0 48 -3,-0.4 4,-2.6 -4,-0.3 -2,-0.2 0.973 111.4 40.9 -67.2 -56.5 26.8 -6.6 -15.7 25 30 A V H X S+ 0 0 32 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.870 115.0 53.0 -62.2 -36.7 28.4 -10.0 -15.7 26 31 A L H <>S+ 0 0 0 -4,-2.5 5,-1.3 -5,-0.3 -1,-0.2 0.925 112.3 43.3 -65.2 -45.5 27.5 -10.6 -12.0 27 32 A R H ><5S+ 0 0 45 -4,-1.9 3,-2.1 -5,-0.3 6,-0.2 0.925 112.3 54.5 -64.7 -43.7 23.8 -9.9 -12.6 28 33 A K H 3<5S+ 0 0 176 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.770 98.1 63.2 -60.1 -28.3 23.9 -11.9 -15.8 29 34 A A T 3<5S- 0 0 27 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.516 126.3-102.7 -75.3 -3.2 25.3 -14.8 -13.8 30 35 A G T <>5 + 0 0 14 -3,-2.1 4,-2.7 -4,-0.1 5,-0.2 0.776 68.8 151.5 89.1 30.8 22.0 -14.7 -12.0 31 36 A L H > S+ 0 0 21 -5,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 115.9 47.5 -58.0 -49.6 19.6 -11.4 -7.9 33 38 A E H > S+ 0 0 90 -6,-0.2 4,-2.8 1,-0.2 5,-0.2 0.936 111.6 48.7 -56.8 -53.0 17.8 -14.6 -8.7 34 39 A K H < S+ 0 0 71 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.828 110.4 51.3 -59.7 -36.3 20.1 -16.9 -6.7 35 40 A L H ><>S+ 0 0 0 -4,-2.0 3,-1.1 -5,-0.2 5,-0.9 0.916 112.0 47.6 -67.4 -41.8 19.8 -14.6 -3.7 36 41 A K H 3<5S+ 0 0 106 -4,-2.2 4,-0.3 1,-0.3 -2,-0.2 0.890 100.9 63.6 -64.6 -39.5 16.1 -14.7 -4.0 37 42 A E T 3<5S+ 0 0 149 -4,-2.8 -1,-0.3 -5,-0.2 2,-0.2 0.682 104.4 62.2 -57.7 -15.7 16.2 -18.5 -4.3 38 43 A Q T < 5S- 0 0 31 -3,-1.1 2,-3.1 -4,-0.3 262,-0.1 -0.568 120.6 -82.4-101.9 169.3 17.6 -18.2 -0.8 39 44 A E T 5S+ 0 0 109 -2,-0.2 2,-0.4 260,-0.1 -3,-0.1 -0.061 86.9 139.0 -67.3 45.6 15.6 -16.7 2.1 40 45 A C < - 0 0 16 -2,-3.1 2,-0.8 -5,-0.9 -38,-0.2 -0.792 51.8-151.0-105.7 137.4 16.6 -13.2 0.8 41 46 A D E -a 2 0A 70 -40,-1.2 -38,-1.9 -2,-0.4 2,-0.5 -0.878 31.4-170.2 -97.8 104.0 14.6 -10.0 0.5 42 47 A V E -a 3 0A 13 -2,-0.8 2,-0.5 -40,-0.2 -38,-0.2 -0.872 19.5-179.3-111.5 125.8 16.3 -8.3 -2.5 43 48 A K E -a 4 0A 103 -40,-1.8 -38,-1.9 -2,-0.5 2,-0.7 -0.960 18.3-148.4-121.8 115.4 15.8 -4.7 -3.8 44 49 A D E -a 5 0A 66 -2,-0.5 -38,-0.2 -40,-0.2 3,-0.1 -0.726 12.6-174.5 -85.5 115.4 17.9 -3.7 -6.8 45 50 A Y E - 0 0 93 -40,-3.1 -39,-0.1 -2,-0.7 -1,-0.1 0.341 43.2-126.4 -89.8 6.6 18.8 0.0 -6.7 46 51 A G E - 0 0 26 -41,-0.2 -39,-3.3 2,-0.1 2,-0.5 -0.113 35.8 -49.0 80.1-177.8 20.3 -0.3 -10.2 47 52 A D E -a 7 0A 72 -41,-0.2 -39,-0.2 -3,-0.1 -41,-0.0 -0.849 60.7-114.9 -96.0 126.7 23.7 0.7 -11.6 48 53 A L - 0 0 15 -41,-3.3 2,-1.3 -2,-0.5 -2,-0.1 -0.350 25.2-124.9 -60.9 134.6 24.8 4.2 -10.7 49 54 A P - 0 0 109 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.696 28.7-164.9 -85.2 94.9 25.1 6.4 -13.8 50 55 A F - 0 0 36 -2,-1.3 2,-0.2 -41,-0.2 17,-0.0 -0.704 9.1-145.3 -83.0 125.6 28.7 7.6 -13.6 51 56 A A - 0 0 72 -2,-0.5 2,-0.4 16,-0.1 20,-0.1 -0.564 20.2-104.2 -89.7 155.9 29.2 10.6 -15.9 52 57 A D - 0 0 144 -2,-0.2 3,-0.1 1,-0.0 -1,-0.1 -0.634 21.2-155.2 -80.0 128.3 32.5 11.3 -17.8 53 58 A I - 0 0 58 -2,-0.4 14,-0.2 1,-0.2 3,-0.1 -0.839 12.6-176.2-103.9 93.0 34.6 14.1 -16.4 54 59 A P S S+ 0 0 70 0, 0.0 2,-1.3 0, 0.0 -1,-0.2 0.888 74.3 60.2 -54.8 -44.3 36.5 15.1 -19.5 55 60 A N + 0 0 104 -3,-0.1 2,-0.1 1,-0.1 11,-0.0 -0.680 68.3 124.2 -91.8 86.8 38.7 17.6 -17.6 56 61 A D + 0 0 18 -2,-1.3 8,-0.5 -3,-0.1 -1,-0.1 -0.518 30.6 171.1-145.5 70.3 40.4 15.4 -15.1 57 62 A S - 0 0 23 1,-0.2 9,-0.2 7,-0.1 5,-0.0 -0.373 45.7 -74.3 -78.5 159.9 44.2 15.8 -15.3 58 63 A P - 0 0 50 0, 0.0 2,-0.8 0, 0.0 5,-0.2 -0.179 30.9-139.5 -57.0 142.3 46.5 14.2 -12.7 59 64 A F B > S-H 62 0B 42 3,-2.4 3,-2.1 -3,-0.1 2,-0.2 -0.927 75.3 -55.1-100.3 105.2 46.9 15.8 -9.2 60 65 A Q T 3 S- 0 0 116 -2,-0.8 68,-0.1 1,-0.3 0, 0.0 -0.410 123.8 -20.9 56.3-120.9 50.6 15.4 -8.8 61 66 A I T 3 S+ 0 0 62 66,-0.3 -1,-0.3 -2,-0.2 2,-0.3 0.709 113.3 110.0 -88.6 -20.7 51.0 11.7 -9.4 62 67 A V B < -H 59 0B 0 -3,-2.1 -3,-2.4 65,-0.2 2,-0.3 -0.393 61.0-142.4 -64.2 122.0 47.3 10.8 -8.6 63 68 A K - 0 0 57 70,-2.3 72,-0.4 -2,-0.3 5,-0.1 -0.649 68.5 -6.6 -92.8 140.0 45.3 9.8 -11.7 64 69 A N S > S+ 0 0 49 -8,-0.5 4,-2.7 -2,-0.3 5,-0.3 0.831 75.4 163.5 49.2 42.5 41.7 10.6 -12.5 65 70 A P H > S+ 0 0 0 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.911 70.1 44.8 -55.1 -50.0 41.1 12.2 -9.1 66 71 A R H > S+ 0 0 83 -9,-0.2 4,-2.0 2,-0.2 5,-0.2 0.892 114.9 49.4 -63.3 -40.2 37.9 14.1 -9.9 67 72 A S H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.943 117.2 40.1 -63.6 -50.4 36.4 11.1 -11.7 68 73 A V H X S+ 0 0 0 -4,-2.7 4,-1.7 -56,-0.2 5,-0.2 0.916 115.4 52.2 -65.8 -43.7 37.2 8.8 -8.8 69 74 A G H X S+ 0 0 0 -4,-3.3 4,-1.1 -5,-0.3 -1,-0.2 0.834 110.9 47.2 -63.2 -33.6 36.3 11.3 -6.2 70 75 A K H X S+ 0 0 100 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.900 108.5 54.1 -74.7 -42.0 32.9 12.0 -7.7 71 76 A A H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.841 111.4 45.0 -60.6 -37.5 32.0 8.3 -8.2 72 77 A S H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.814 111.0 53.8 -76.7 -31.6 32.6 7.6 -4.5 73 78 A E H X S+ 0 0 62 -4,-1.1 4,-1.6 -5,-0.2 -2,-0.2 0.945 112.7 43.9 -66.5 -45.6 30.7 10.7 -3.5 74 79 A Q H X S+ 0 0 50 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.888 115.0 49.1 -64.4 -41.4 27.8 9.4 -5.5 75 80 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.883 104.3 59.7 -66.2 -38.9 28.2 5.9 -4.2 76 81 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.912 105.6 48.4 -56.3 -44.7 28.3 7.2 -0.6 77 82 A G H X S+ 0 0 26 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.865 111.1 49.8 -64.6 -36.9 24.9 8.8 -0.9 78 83 A K H X S+ 0 0 79 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.916 111.0 48.5 -68.6 -44.3 23.4 5.6 -2.4 79 84 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.894 110.0 52.2 -62.4 -42.6 24.8 3.4 0.4 80 85 A A H X S+ 0 0 5 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.882 110.6 49.7 -61.9 -37.6 23.5 5.7 3.0 81 86 A E H X S+ 0 0 71 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.957 111.5 45.8 -66.3 -51.0 20.1 5.6 1.4 82 87 A V H <>S+ 0 0 0 -4,-2.6 5,-1.7 1,-0.2 3,-0.4 0.890 114.2 49.9 -60.0 -38.3 20.0 1.8 1.3 83 88 A K H ><5S+ 0 0 15 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.834 106.1 55.9 -69.3 -31.7 21.3 1.7 4.9 84 89 A K H 3<5S+ 0 0 126 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.728 103.2 56.9 -71.2 -19.8 18.5 4.1 5.9 85 90 A N T 3<5S- 0 0 81 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.178 121.3-108.0 -95.2 17.4 16.1 1.6 4.4 86 91 A G T < 5S+ 0 0 58 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.864 76.3 131.6 60.4 40.2 17.3 -1.1 6.7 87 92 A R < - 0 0 23 -5,-1.7 2,-0.5 -86,-0.0 -84,-0.2 -0.957 63.6-114.1-127.3 143.2 19.0 -3.0 4.0 88 93 A I E -b 3 0A 5 -86,-2.9 -84,-2.9 -2,-0.4 2,-0.3 -0.613 38.2-126.0 -72.5 121.9 22.5 -4.6 3.7 89 94 A S E -bc 4 267A 0 177,-1.5 179,-3.1 -2,-0.5 2,-0.6 -0.574 24.1-168.8 -73.7 128.8 24.3 -2.6 1.0 90 95 A L E -bc 5 268A 0 -86,-2.5 -84,-2.7 -2,-0.3 2,-0.8 -0.901 4.7-165.4-121.7 98.3 25.7 -4.9 -1.7 91 96 A V E -bc 6 269A 0 177,-3.0 179,-2.4 -2,-0.6 2,-1.1 -0.773 6.5-163.3 -91.2 107.1 28.0 -3.0 -3.9 92 97 A L E -bc 7 270A 0 -86,-2.4 -84,-2.9 -2,-0.8 179,-0.2 -0.791 35.9-170.6 -85.7 105.1 28.8 -4.8 -7.1 93 98 A G - 0 0 1 177,-2.5 180,-0.3 -2,-1.1 2,-0.1 -0.160 41.7-146.7-102.1-171.1 31.8 -2.8 -8.1 94 99 A G S S- 0 0 0 1,-0.5 178,-2.6 -72,-0.1 179,-0.3 0.157 81.7 -1.4-112.6-125.0 34.4 -1.9 -10.5 95 100 A D S > S- 0 0 0 -85,-1.5 3,-1.6 176,-0.2 -1,-0.5 -0.226 74.6-110.1 -73.4 157.4 37.8 -1.0 -8.9 96 101 A H G > S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.420 102.0 86.4 -67.0 -1.4 38.4 -0.9 -5.2 97 102 A S G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.770 76.5 72.9 -69.0 -22.8 38.7 2.9 -5.1 98 103 A L G <> S+ 0 0 0 -3,-1.6 4,-2.5 1,-0.3 -1,-0.3 0.563 74.2 81.9 -65.7 -10.4 34.9 2.9 -4.7 99 104 A A H <>>S+ 0 0 0 -3,-1.4 4,-2.7 1,-0.2 5,-0.5 0.820 80.7 65.6 -65.3 -29.8 35.4 1.6 -1.1 100 105 A I H <>5S+ 0 0 0 -3,-1.7 4,-1.4 -4,-0.2 -1,-0.2 0.954 109.8 35.7 -56.9 -48.5 36.0 5.2 -0.2 101 106 A G H >5S+ 0 0 0 -4,-0.4 4,-2.7 2,-0.2 5,-0.3 0.892 118.4 51.2 -72.6 -39.9 32.3 5.9 -1.0 102 107 A S H X5S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.950 115.3 39.0 -63.0 -53.7 30.9 2.6 0.2 103 108 A I H X5S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.890 117.9 52.1 -65.8 -37.2 32.5 2.6 3.7 104 109 A S H XX S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 3,-0.6 0.941 107.3 52.1 -61.8 -49.1 27.8 3.1 5.4 107 112 A A H 3< S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.694 96.4 68.1 -63.5 -22.7 29.5 5.0 8.3 108 113 A R H 3< S+ 0 0 136 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.944 114.6 28.7 -62.0 -45.3 27.1 8.0 8.0 109 114 A V H << S+ 0 0 49 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.812 136.7 29.9 -84.1 -33.9 24.2 5.8 9.2 110 115 A H >< + 0 0 58 -4,-2.3 3,-1.9 -5,-0.2 -1,-0.2 -0.584 65.0 174.1-128.5 71.9 26.4 3.4 11.3 111 116 A P T 3 S+ 0 0 97 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.631 76.2 62.5 -51.8 -16.8 29.4 5.3 12.6 112 117 A D T 3 S+ 0 0 79 52,-0.1 -5,-0.1 2,-0.0 52,-0.0 0.226 74.8 137.9 -98.2 15.3 30.4 2.3 14.8 113 118 A L < - 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0 0 49 -4,-0.6 -3,-0.2 -5,-0.3 -4,-0.1 0.832 39.2-177.0 67.8 34.8 49.1 -0.7 14.7 190 195 A I < - 0 0 6 -5,-1.9 2,-0.5 -6,-0.4 -1,-0.2 -0.392 25.7-121.2 -66.1 138.4 46.6 -2.0 12.2 191 196 A K E +f 170 0A 53 -22,-0.8 -20,-1.6 -25,-0.5 2,-0.3 -0.706 43.3 162.7 -85.3 127.5 45.5 -5.6 12.7 192 197 A Y E -f 171 0A 52 -2,-0.5 2,-0.4 -22,-0.2 -20,-0.2 -0.947 36.7-152.7-144.1 161.5 46.2 -7.9 9.7 193 198 A F E -f 172 0A 3 -22,-1.5 -20,-2.3 -2,-0.3 -19,-0.6 -0.874 24.8-170.8-134.8 94.8 46.5 -11.5 8.7 194 199 A S E >> -f 174 0A 19 -2,-0.4 4,-1.8 -21,-0.2 3,-0.7 -0.201 48.3 -87.3 -75.6 179.0 48.8 -11.7 5.7 195 200 A M H 3> S+ 0 0 19 -21,-3.1 4,-2.1 1,-0.2 5,-0.2 0.793 129.9 62.8 -60.3 -24.8 49.1 -15.0 3.8 196 201 A T H 3> S+ 0 0 81 -22,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.882 104.4 44.7 -67.3 -40.0 51.9 -15.9 6.3 197 202 A E H <> S+ 0 0 36 -3,-0.7 4,-2.9 2,-0.2 5,-0.4 0.842 110.4 54.3 -73.1 -34.2 49.4 -15.7 9.3 198 203 A V H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.920 110.7 46.9 -64.7 -41.9 46.8 -17.8 7.4 199 204 A D H < S+ 0 0 126 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.884 116.4 45.0 -65.5 -40.2 49.4 -20.5 6.7 200 205 A R H < S+ 0 0 159 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.932 128.4 22.3 -69.6 -48.1 50.5 -20.4 10.4 201 206 A L H X S- 0 0 63 -4,-2.9 4,-0.5 -5,-0.1 -3,-0.2 0.756 102.0-119.4 -95.0 -28.8 47.1 -20.4 12.1 202 207 A G H X - 0 0 30 -4,-2.4 4,-1.9 -5,-0.4 5,-0.1 0.004 33.3 -87.5 96.7 149.6 44.7 -21.8 9.5 203 208 A I H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.806 124.8 62.9 -64.5 -26.7 41.7 -19.8 8.2 204 209 A G H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.971 107.6 38.5 -61.3 -56.0 39.6 -21.0 11.1 205 210 A K H X S+ 0 0 77 -4,-0.5 4,-3.0 1,-0.2 5,-0.3 0.863 111.9 60.7 -63.5 -36.3 41.7 -19.4 13.8 206 211 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.911 109.9 41.3 -57.2 -42.2 42.2 -16.3 11.6 207 212 A M H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.852 111.8 54.9 -75.3 -35.7 38.4 -15.8 11.5 208 213 A E H X S+ 0 0 122 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.972 115.3 39.7 -59.6 -52.2 38.0 -16.6 15.2 209 214 A E H X S+ 0 0 56 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.863 113.7 54.2 -64.6 -40.4 40.6 -13.9 16.0 210 215 A T H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.932 112.9 41.9 -60.9 -47.2 39.3 -11.4 13.4 211 216 A L H X S+ 0 0 26 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.818 114.9 51.5 -71.0 -30.4 35.8 -11.5 14.7 212 217 A S H X S+ 0 0 78 -4,-1.8 4,-2.1 -5,-0.3 5,-0.2 0.908 107.4 54.3 -70.0 -43.4 37.0 -11.4 18.3 213 218 A Y H < S+ 0 0 86 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.871 119.0 31.7 -58.3 -42.9 39.2 -8.4 17.5 214 219 A L H < S+ 0 0 1 -4,-1.6 4,-0.3 -5,-0.1 -1,-0.2 0.718 129.9 33.0 -91.4 -23.4 36.3 -6.4 16.1 215 220 A L H < S+ 0 0 10 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.462 88.9 93.0-113.2 -4.1 33.3 -7.6 18.2 216 221 A G S < S+ 0 0 57 -4,-2.1 3,-0.1 1,-0.2 -3,-0.1 0.943 90.3 44.8 -54.2 -54.7 34.9 -8.4 21.6 217 222 A R S S- 0 0 238 -4,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.961 134.8 -38.6 -53.6 -58.0 34.2 -5.0 23.1 218 223 A K S S- 0 0 137 -4,-0.3 -1,-0.2 2,-0.0 2,-0.1 -0.974 71.0 -77.9-164.9 161.3 30.6 -4.9 21.8 219 224 A K + 0 0 133 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.451 53.0 169.5 -69.0 141.1 28.5 -5.9 18.7 220 225 A R - 0 0 35 -2,-0.1 -107,-0.1 -106,-0.0 -106,-0.1 -0.987 41.5 -84.3-151.1 149.7 28.8 -3.5 15.8 221 226 A P - 0 0 21 0, 0.0 -107,-2.5 0, 0.0 2,-0.5 -0.256 45.5-137.0 -56.4 143.6 27.8 -3.5 12.1 222 227 A I E -dg 114 265A 0 42,-2.7 44,-3.6 -109,-0.2 45,-2.0 -0.911 13.2-162.8-111.5 131.3 30.3 -5.2 9.9 223 228 A H E -dg 115 267A 0 -109,-2.9 -107,-2.9 -2,-0.5 2,-0.7 -0.950 7.6-163.5-110.3 120.0 31.5 -3.9 6.5 224 229 A L E -dg 116 268A 0 43,-3.5 45,-2.6 -2,-0.6 2,-0.9 -0.908 4.5-169.4-108.7 111.9 33.1 -6.5 4.3 225 230 A S E -dg 117 269A 0 -109,-2.6 -107,-1.9 -2,-0.7 2,-0.6 -0.851 14.2-169.3-100.9 100.7 35.1 -5.1 1.4 226 231 A F E -dg 118 270A 3 43,-2.7 45,-2.9 -2,-0.9 2,-0.5 -0.816 10.3-167.4 -99.2 121.3 36.0 -8.1 -0.7 227 232 A D E > - g 0 271A 2 -109,-2.6 3,-2.3 -2,-0.6 4,-0.4 -0.918 20.7-140.3-104.3 126.2 38.4 -7.8 -3.5 228 233 A V G > S+ 0 0 4 43,-1.9 3,-0.8 -2,-0.5 44,-0.1 0.709 99.4 67.5 -59.7 -18.8 38.4 -10.8 -5.8 229 234 A D G 3 S+ 0 0 1 1,-0.2 14,-0.4 -111,-0.1 -1,-0.3 0.471 79.7 78.9 -80.7 0.7 42.2 -10.7 -6.1 230 235 A G G < S+ 0 0 0 -3,-2.3 17,-2.1 -112,-0.3 -1,-0.2 0.842 87.9 68.4 -72.2 -33.0 42.4 -11.7 -2.4 231 236 A L B < S-j 247 0D 1 -3,-0.8 12,-0.3 -4,-0.4 17,-0.2 -0.488 109.0 -85.7 -81.1 157.6 41.8 -15.2 -3.7 232 237 A D >> - 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