==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 13-DEC-12 4IE1 . COMPND 2 MOLECULE: ARGINASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.COUSIDO-SIAH,A.MITSCHLER,F.X.RUIZ,P.BECKETT,M.C.VAN ZANDT, . 628 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.3 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 . 2 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 . 51 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 5 0 0 2 2 0 1 2 0 0 0 2 0 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 4 4 4 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 . 4 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 5 A S 0 0 135 0, 0.0 2,-0.2 0, 0.0 40,-0.0 0.000 360.0 360.0 360.0 120.4 47.6 -6.7 25.9 2 6 A R - 0 0 30 298,-0.1 40,-0.9 86,-0.1 2,-0.4 -0.378 360.0-161.8 -40.2 118.1 44.8 -5.3 23.8 3 7 A T E -a 42 0A 43 84,-0.2 86,-3.6 -2,-0.2 2,-0.4 -0.946 13.3-146.7-109.9 140.7 43.3 -7.9 21.3 4 8 A I E -ab 43 89A 0 38,-3.1 40,-2.5 -2,-0.4 2,-0.5 -0.898 20.5-168.4-122.9 139.1 41.3 -6.5 18.4 5 9 A G E -ab 44 90A 0 84,-3.2 86,-2.8 -2,-0.4 2,-0.4 -0.956 18.7-153.1-119.7 111.2 38.2 -7.5 16.2 6 10 A I E -ab 45 91A 0 38,-2.8 40,-3.4 -2,-0.5 2,-0.4 -0.693 11.5-173.2 -89.9 128.2 37.7 -5.4 13.1 7 11 A I E - b 0 92A 0 84,-3.1 86,-2.5 -2,-0.4 2,-0.4 -0.986 12.6-149.2-125.0 120.9 34.1 -5.1 11.7 8 12 A G E -ab 48 93A 0 39,-3.0 41,-3.3 -2,-0.4 86,-0.2 -0.782 12.1-175.0 -93.0 134.4 33.4 -3.4 8.4 9 13 A A E - b 0 94A 0 84,-2.5 2,-2.0 -2,-0.4 86,-0.5 -0.646 1.8-177.7-130.1 75.9 30.0 -1.7 8.2 10 14 A P + 0 0 39 0, 0.0 2,-0.4 0, 0.0 41,-0.2 -0.515 34.7 133.3 -79.9 83.4 29.6 -0.4 4.7 11 15 A F + 0 0 15 -2,-2.0 85,-2.3 9,-0.3 84,-0.6 -0.999 27.3 166.7-142.2 136.5 26.2 1.3 5.2 12 16 A S > + 0 0 16 -2,-0.4 3,-1.5 83,-0.2 8,-0.1 0.450 48.8 101.7-127.8 -3.7 24.9 4.7 4.2 13 17 A K T 3 + 0 0 69 1,-0.3 123,-0.3 55,-0.1 56,-0.2 0.466 64.6 79.0 -79.3 1.9 21.1 4.8 4.6 14 18 A G T 3 S+ 0 0 0 121,-0.1 123,-2.9 122,-0.1 124,-0.3 0.415 110.6 15.9 -76.2 1.8 21.1 6.7 7.9 15 19 A Q S < S- 0 0 5 -3,-1.5 -1,-0.1 121,-0.2 81,-0.1 -0.974 86.7 -99.7-169.5 167.6 21.7 9.8 5.8 16 20 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 489,-0.1 0.800 88.5 80.5 -72.7 -40.2 21.4 11.0 2.1 17 21 A R > - 0 0 58 487,-0.2 3,-0.6 1,-0.1 486,-0.2 -0.559 62.1-156.1 -77.2 131.0 25.0 10.9 0.6 18 22 A G G > S+ 0 0 11 484,-2.2 3,-1.9 -2,-0.3 485,-0.2 0.799 71.6 83.2 -82.3 -26.2 26.1 7.4 -0.5 19 23 A G G > S+ 0 0 1 1,-0.3 3,-1.6 484,-0.3 -1,-0.2 0.582 70.3 79.3 -59.2 -16.8 29.8 7.5 -0.4 20 24 A V G X S+ 0 0 0 -3,-0.6 3,-0.9 1,-0.3 -9,-0.3 0.603 77.9 73.6 -68.9 -11.6 30.2 6.8 3.3 21 25 A E G < S+ 0 0 79 -3,-1.9 -1,-0.3 1,-0.2 4,-0.2 0.631 90.4 59.3 -77.1 -13.0 29.6 3.1 2.6 22 26 A E G X> S+ 0 0 69 -3,-1.6 4,-2.2 1,-0.2 3,-0.7 0.533 75.8 99.2 -89.1 -13.1 33.2 3.0 1.1 23 27 A G H <> S+ 0 0 0 -3,-0.9 4,-2.9 251,-0.4 5,-0.3 0.886 80.4 51.0 -46.1 -51.0 34.7 4.2 4.4 24 28 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.889 111.0 49.3 -54.8 -43.6 35.7 0.6 5.4 25 29 A T H <> S+ 0 0 84 -3,-0.7 4,-3.1 -4,-0.2 5,-0.2 0.954 114.0 43.5 -60.9 -49.0 37.4 0.0 2.0 26 30 A V H X S+ 0 0 27 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.914 114.1 49.9 -71.7 -36.7 39.4 3.2 2.0 27 31 A L H <>S+ 0 0 1 -4,-2.9 5,-1.4 -5,-0.3 3,-0.4 0.957 113.4 47.5 -62.5 -44.9 40.5 2.9 5.7 28 32 A R H ><5S+ 0 0 44 -4,-2.4 3,-2.0 -5,-0.3 5,-0.2 0.939 110.4 50.4 -59.7 -49.6 41.6 -0.7 5.0 29 33 A K H 3<5S+ 0 0 178 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.735 97.7 68.9 -65.2 -19.9 43.5 0.2 1.9 30 34 A A T 3<5S- 0 0 25 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.503 123.7-104.6 -74.8 -0.2 45.2 3.0 3.9 31 35 A G T <>5 + 0 0 15 -3,-2.0 4,-2.5 -4,-0.1 3,-0.5 0.575 69.1 151.0 89.1 11.8 46.9 0.1 5.7 32 36 A L H > S+ 0 0 17 -5,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.868 115.0 50.2 -65.0 -37.9 45.2 -3.5 9.8 34 38 A E H > S+ 0 0 97 -3,-0.5 4,-2.1 -6,-0.2 -1,-0.2 0.887 110.1 48.2 -66.0 -42.8 48.9 -3.6 8.9 35 39 A K H X S+ 0 0 70 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.852 109.7 53.9 -71.3 -34.4 49.8 -0.6 11.1 36 40 A L H ><>S+ 0 0 0 -4,-2.1 5,-1.2 -5,-0.3 3,-0.7 0.918 109.5 46.9 -61.5 -44.9 47.9 -2.0 14.0 37 41 A K H 3<5S+ 0 0 113 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.875 103.0 65.4 -67.0 -31.0 49.9 -5.2 13.6 38 42 A E H 3<5S+ 0 0 149 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.792 107.9 45.7 -57.5 -30.9 53.0 -3.0 13.4 39 43 A Q T <<5S- 0 0 32 -4,-1.0 262,-0.1 -3,-0.7 -3,-0.0 -0.064 124.6 -58.9 -96.6-159.0 52.3 -2.0 17.0 40 44 A E T 5S+ 0 0 82 260,-0.3 2,-0.2 -2,-0.1 -3,-0.1 0.678 93.0 129.3 -53.4 -14.4 51.4 -4.1 20.0 41 45 A C < - 0 0 10 -5,-1.2 2,-0.7 259,-0.2 -38,-0.1 -0.276 49.0-163.6 -92.9 130.1 48.3 -5.5 18.3 42 46 A D E -a 3 0A 88 -40,-0.9 -38,-3.1 -2,-0.2 2,-0.4 -0.823 32.2-164.6 -87.2 111.7 46.7 -8.9 17.6 43 47 A V E -a 4 0A 12 -2,-0.7 2,-0.5 -40,-0.2 -38,-0.2 -0.828 19.4-175.2-112.4 133.8 44.1 -8.2 14.9 44 48 A K E -a 5 0A 85 -40,-2.5 -38,-2.8 -2,-0.4 2,-0.6 -0.986 16.3-148.5-125.4 123.8 41.2 -10.3 13.7 45 49 A D E -a 6 0A 61 -2,-0.5 -38,-0.2 -40,-0.2 3,-0.1 -0.799 11.5-173.1 -89.9 119.0 39.2 -9.1 10.7 46 50 A Y E - 0 0 36 -40,-3.4 -39,-0.2 -2,-0.6 -1,-0.1 0.448 45.0-125.4 -89.3 0.5 35.6 -10.2 10.9 47 51 A G E - 0 0 27 -41,-0.4 -39,-3.0 2,-0.1 2,-0.4 -0.232 37.2 -49.0 91.7-178.0 35.1 -8.8 7.4 48 52 A D E -a 8 0A 66 -41,-0.2 -39,-0.2 -3,-0.1 -41,-0.0 -0.785 62.4-114.7 -91.7 132.4 32.6 -6.3 6.0 49 53 A L - 0 0 19 -41,-3.3 2,-0.8 -2,-0.4 -2,-0.1 -0.445 23.2-130.7 -66.7 141.1 29.1 -7.0 7.1 50 54 A P - 0 0 108 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.865 22.0-165.7 -95.9 111.1 26.8 -7.9 4.1 51 55 A F - 0 0 40 -2,-0.8 3,-0.1 -41,-0.2 21,-0.1 -0.844 15.0-137.7 -98.3 104.0 23.6 -5.7 4.3 52 56 A A - 0 0 77 -2,-0.8 2,-0.2 1,-0.1 20,-0.0 -0.224 29.8-103.4 -51.0 145.0 20.9 -7.0 2.0 53 57 A D - 0 0 106 1,-0.0 -1,-0.1 2,-0.0 3,-0.1 -0.513 25.8-157.6 -67.5 138.4 19.0 -4.3 0.2 54 58 A I + 0 0 48 -2,-0.2 14,-0.2 1,-0.1 13,-0.1 -0.894 16.0 177.0-116.8 95.8 15.6 -3.5 1.6 55 59 A P + 0 0 55 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.699 66.0 65.5 -79.7 -22.8 14.0 -1.9 -1.4 56 60 A N + 0 0 101 -3,-0.1 11,-0.0 1,-0.1 2,-0.0 -0.839 64.4 129.1 -98.9 99.1 10.5 -1.4 0.2 57 61 A D + 0 0 17 -2,-0.9 8,-0.5 10,-0.1 3,-0.1 -0.459 30.7 178.9-152.4 67.6 11.3 1.1 2.8 58 62 A S - 0 0 26 1,-0.2 9,-0.2 7,-0.1 5,-0.0 -0.348 43.0 -80.8 -79.0 155.8 9.1 4.1 2.8 59 63 A P - 0 0 53 0, 0.0 2,-0.8 0, 0.0 5,-0.2 -0.152 30.6-134.9 -54.3 148.0 9.4 6.9 5.3 60 64 A F B > S-H 63 0B 50 3,-2.2 3,-2.2 74,-0.1 2,-0.0 -0.940 78.2 -50.7 -95.9 106.9 8.0 6.4 8.7 61 65 A Q T 3 S- 0 0 117 -2,-0.8 68,-0.1 1,-0.3 0, 0.0 -0.428 124.0 -27.2 50.9-123.8 6.4 9.8 9.1 62 66 A I T 3 S+ 0 0 76 66,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.632 111.6 112.8 -97.2 -8.0 9.5 11.8 8.2 63 67 A V B < -H 60 0B 0 -3,-2.2 -3,-2.2 65,-0.1 2,-0.3 -0.469 62.5-137.0 -64.2 123.0 12.1 9.3 9.3 64 68 A K - 0 0 47 70,-2.7 72,-0.4 -2,-0.3 5,-0.1 -0.584 67.1 -7.3 -95.8 140.9 14.0 8.0 6.2 65 69 A N S > S+ 0 0 53 -8,-0.5 4,-2.5 -2,-0.3 5,-0.3 0.803 74.4 165.8 53.0 40.3 15.0 4.4 5.4 66 70 A P H > + 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.852 69.4 44.5 -58.8 -47.2 13.9 3.1 8.8 67 71 A R H > S+ 0 0 84 2,-0.2 4,-2.6 -9,-0.2 5,-0.2 0.870 114.9 49.4 -62.5 -40.0 13.9 -0.7 8.1 68 72 A S H > S+ 0 0 7 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.906 115.9 42.8 -67.8 -41.3 17.3 -0.5 6.3 69 73 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 -56,-0.2 -2,-0.2 0.910 116.3 48.4 -70.0 -42.5 18.9 1.5 9.1 70 74 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.915 113.2 45.4 -71.1 -43.2 17.3 -0.7 11.8 71 75 A K H X S+ 0 0 89 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.864 109.8 55.8 -65.6 -38.1 18.3 -4.0 10.3 72 76 A A H X S+ 0 0 2 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.887 111.2 44.3 -64.1 -35.8 21.8 -2.8 9.6 73 77 A S H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.828 111.2 54.1 -73.3 -38.9 22.2 -2.0 13.3 74 78 A E H X S+ 0 0 75 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.958 111.2 44.7 -59.5 -51.1 20.6 -5.3 14.3 75 79 A Q H X S+ 0 0 49 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.924 114.7 49.6 -60.5 -47.2 23.1 -7.2 12.2 76 80 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.3 -2,-0.2 0.932 105.8 56.0 -59.5 -47.8 25.9 -5.1 13.6 77 81 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.916 106.9 51.6 -49.9 -43.8 24.9 -5.5 17.2 78 82 A G H X S+ 0 0 34 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.900 111.2 46.0 -61.6 -41.3 25.1 -9.3 16.6 79 83 A K H X S+ 0 0 68 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.923 111.6 51.2 -73.9 -37.8 28.6 -9.1 15.3 80 84 A V H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.911 109.6 48.9 -57.1 -50.3 29.8 -6.7 18.0 81 85 A A H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.825 111.5 52.4 -62.2 -29.5 28.5 -8.9 20.9 82 86 A E H X S+ 0 0 70 -4,-1.2 4,-1.5 -5,-0.2 -1,-0.2 0.931 110.0 45.9 -72.1 -50.3 30.2 -11.9 19.1 83 87 A V H <>S+ 0 0 0 -4,-2.2 5,-1.8 2,-0.2 -2,-0.2 0.898 113.7 50.2 -53.7 -46.9 33.5 -10.0 18.9 84 88 A K H ><5S+ 0 0 16 -4,-3.0 3,-2.0 1,-0.2 -2,-0.2 0.908 107.7 52.9 -62.6 -40.6 33.1 -9.0 22.6 85 89 A K H 3<5S+ 0 0 155 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.809 101.9 60.2 -65.5 -29.1 32.4 -12.6 23.6 86 90 A N T 3<5S- 0 0 93 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.308 121.2-112.1 -76.5 10.2 35.6 -13.5 21.8 87 91 A G T < 5S+ 0 0 56 -3,-2.0 2,-0.3 1,-0.2 -84,-0.2 0.837 73.8 132.0 62.8 35.3 37.4 -11.2 24.3 88 92 A R < - 0 0 43 -5,-1.8 2,-0.4 -86,-0.1 -84,-0.3 -0.885 65.4-111.1-117.2 150.6 38.4 -8.7 21.7 89 93 A I E -b 4 0A 16 -86,-3.6 -84,-3.2 -2,-0.3 2,-0.4 -0.670 42.2-128.6 -68.3 125.2 38.2 -4.9 21.5 90 94 A S E -bc 5 268A 0 177,-1.5 179,-2.7 -2,-0.4 2,-0.5 -0.671 22.7-168.3 -83.2 131.8 35.5 -4.2 18.7 91 95 A L E -bc 6 269A 0 -86,-2.8 -84,-3.1 -2,-0.4 2,-0.5 -0.913 3.5-168.2-122.6 102.5 36.6 -1.8 16.0 92 96 A V E -bc 7 270A 0 177,-3.6 179,-2.7 -2,-0.5 2,-0.6 -0.792 4.1-162.0 -92.9 120.8 33.7 -0.7 13.8 93 97 A L E -bc 8 271A 0 -86,-2.5 -84,-2.5 -2,-0.5 179,-0.2 -0.930 35.7-107.5 -98.8 118.2 34.6 1.1 10.6 94 98 A G E +b 9 0A 0 177,-2.4 2,-0.2 -2,-0.6 180,-0.1 -0.318 47.9 169.1 -91.3 179.4 31.6 3.0 9.2 95 99 A G S S- 0 0 0 -84,-0.6 178,-2.4 -86,-0.5 -1,-0.3 0.453 77.6 -27.1 92.2 142.6 29.5 3.7 7.6 96 100 A D > - 0 0 0 -85,-2.3 3,-1.5 176,-0.2 -1,-0.1 -0.356 66.3-103.9 -79.0 164.8 27.1 6.4 8.8 97 101 A H G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.1 4,-0.2 0.610 105.6 84.2 -69.4 -12.1 26.6 7.2 12.5 98 102 A S G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.753 78.4 73.8 -56.9 -19.9 23.2 5.5 12.7 99 103 A L G <> S+ 0 0 0 -3,-1.5 4,-2.6 1,-0.3 3,-0.3 0.624 72.1 81.1 -73.3 -16.2 25.2 2.3 13.2 100 104 A A H <> S+ 0 0 0 -3,-2.0 4,-2.7 1,-0.2 5,-0.5 0.783 81.0 67.6 -59.3 -28.0 26.1 3.3 16.7 101 105 A I H <> S+ 0 0 0 -3,-1.7 4,-1.7 -4,-0.2 -1,-0.2 0.971 110.0 33.9 -57.5 -47.8 22.7 2.0 17.7 102 106 A G H > S+ 0 0 0 -4,-0.4 4,-2.9 -3,-0.3 5,-0.3 0.898 117.8 53.2 -71.8 -39.8 23.9 -1.5 16.8 103 107 A S H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.964 115.4 39.0 -63.7 -49.9 27.5 -1.0 18.0 104 108 A I H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.905 116.0 53.8 -69.6 -34.3 26.6 0.2 21.4 105 109 A S H X S+ 0 0 10 -4,-1.7 4,-1.0 -5,-0.5 -2,-0.2 0.952 111.4 42.5 -66.0 -53.0 23.7 -2.3 21.7 106 110 A G H X S+ 0 0 0 -4,-2.9 4,-0.9 2,-0.2 3,-0.4 0.867 114.1 53.2 -60.2 -38.9 25.8 -5.4 20.9 107 111 A H H >X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 3,-1.2 0.969 106.0 52.7 -60.2 -49.2 28.6 -4.1 23.2 108 112 A A H 3< S+ 0 0 7 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.680 95.5 69.6 -63.7 -22.0 26.3 -3.6 26.1 109 113 A R H 3< S+ 0 0 131 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.880 113.1 29.5 -60.5 -39.2 25.0 -7.2 25.8 110 114 A V H << S+ 0 0 45 -3,-1.2 -2,-0.2 -4,-0.9 -1,-0.2 0.754 136.9 28.6 -90.5 -26.9 28.5 -8.4 27.0 111 115 A H >< + 0 0 59 -4,-2.0 3,-1.8 -5,-0.2 -1,-0.2 -0.661 61.4 173.1-135.3 77.3 29.2 -5.3 29.1 112 116 A P T 3 S+ 0 0 99 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.687 78.5 63.7 -64.9 -13.0 26.0 -3.7 30.5 113 117 A D T 3 S+ 0 0 59 52,-0.1 -5,-0.1 2,-0.0 52,-0.0 0.157 75.3 138.5 -93.1 15.3 28.1 -1.3 32.6 114 118 A L < - 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0 0 54 -4,-0.7 -3,-0.2 -5,-0.3 -4,-0.1 0.808 37.8-176.2 69.3 36.0 21.4 16.6 32.5 191 195 A I < - 0 0 6 -5,-1.6 2,-0.4 -6,-0.3 -1,-0.2 -0.310 30.5-112.5 -67.3 138.2 23.9 14.9 30.2 192 196 A K E +f 171 0A 45 -22,-0.7 -20,-1.6 -25,-0.5 2,-0.3 -0.603 49.9 166.0 -71.8 123.9 27.6 15.6 30.7 193 197 A Y E -f 172 0A 55 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.2 -0.992 34.0-161.8-138.3 149.1 28.9 17.5 27.6 194 198 A F E -f 173 0A 3 -22,-2.0 -20,-2.7 -2,-0.3 -19,-0.4 -0.856 22.0-171.4-125.6 97.0 31.9 19.6 26.6 195 199 A S > - 0 0 20 -2,-0.5 4,-2.1 -21,-0.2 3,-0.4 -0.129 48.7 -89.7 -71.0 178.8 30.9 21.7 23.6 196 200 A M H > S+ 0 0 17 -21,-3.0 4,-2.4 1,-0.2 5,-0.2 0.821 131.4 64.2 -64.0 -25.7 33.7 23.5 21.7 197 201 A T H > S+ 0 0 79 -22,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.925 105.2 41.9 -57.4 -47.8 32.8 26.3 24.2 198 202 A E H > S+ 0 0 30 -3,-0.4 4,-3.7 2,-0.2 5,-0.5 0.866 112.6 52.9 -66.3 -43.9 34.0 24.1 27.1 199 203 A V H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.897 113.1 45.8 -58.4 -41.4 37.1 22.8 25.2 200 204 A D H < S+ 0 0 128 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.900 116.4 45.9 -66.7 -40.1 37.9 26.5 24.6 201 205 A R H < S+ 0 0 164 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.945 128.6 21.6 -67.8 -49.1 37.2 27.4 28.3 202 206 A L H < S- 0 0 61 -4,-3.7 4,-0.5 1,-0.1 -3,-0.2 0.716 100.5-119.8 -99.6 -28.5 39.1 24.6 29.9 203 207 A G X - 0 0 31 -4,-2.3 4,-1.9 -5,-0.5 3,-0.3 0.104 34.3 -88.5 89.4 147.2 41.6 23.2 27.4 204 208 A I H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.772 123.5 65.0 -64.6 -25.9 41.6 19.7 26.2 205 209 A G H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.967 109.1 37.3 -61.1 -52.2 43.8 18.5 29.1 206 210 A K H > S+ 0 0 90 -4,-0.5 4,-2.9 -3,-0.3 5,-0.3 0.855 111.6 60.7 -68.5 -35.9 41.1 19.4 31.7 207 211 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.947 109.5 42.3 -53.7 -50.0 38.2 18.2 29.4 208 212 A M H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.4 0.921 112.5 53.5 -70.9 -39.8 39.7 14.6 29.3 209 213 A E H X S+ 0 0 124 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.929 114.6 41.1 -56.3 -47.8 40.5 14.7 33.0 210 214 A E H X S+ 0 0 57 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.876 115.1 52.3 -67.9 -39.2 36.8 15.6 33.8 211 215 A T H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.967 114.8 39.7 -60.1 -53.3 35.5 13.2 31.2 212 216 A L H X S+ 0 0 24 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.849 116.5 50.6 -70.1 -31.0 37.5 10.2 32.5 213 217 A S H X S+ 0 0 75 -4,-1.8 4,-2.1 -5,-0.4 5,-0.2 0.914 110.1 50.6 -69.0 -43.4 36.9 11.2 36.2 214 218 A Y H < S+ 0 0 86 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.884 117.8 37.8 -62.0 -41.4 33.1 11.5 35.5 215 219 A L H < S+ 0 0 3 -4,-2.2 4,-0.2 -5,-0.2 -1,-0.2 0.777 131.8 24.7 -82.2 -25.3 32.9 8.1 33.8 216 220 A L H < S+ 0 0 17 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.394 90.3 96.8-124.9 1.1 35.3 6.1 36.0 217 221 A G S < S+ 0 0 52 -4,-2.1 -3,-0.1 1,-0.2 3,-0.1 0.978 93.4 39.3 -56.3 -61.0 35.4 8.0 39.3 218 222 A R S S- 0 0 252 -4,-0.3 2,-0.3 -5,-0.2 -1,-0.2 0.888 134.5 -17.3 -51.5 -50.3 32.8 5.6 40.9 219 223 A K - 0 0 119 -4,-0.2 -1,-0.2 2,-0.0 2,-0.2 -0.990 69.1-100.2-159.0 144.4 34.1 2.4 39.4 220 224 A K + 0 0 139 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.549 52.2 163.8 -65.3 146.2 36.3 1.1 36.6 221 225 A R - 0 0 34 -2,-0.2 -107,-0.1 -106,-0.0 -106,-0.1 -0.971 43.6 -80.4-158.8 156.8 34.1 0.0 33.6 222 226 A P - 0 0 20 0, 0.0 -107,-2.1 0, 0.0 2,-0.4 -0.309 44.8-138.5 -63.6 145.7 34.5 -0.7 29.9 223 227 A I E -dg 115 266A 0 42,-3.1 44,-2.8 -109,-0.2 45,-1.8 -0.897 11.2-161.8-107.8 132.9 34.6 2.3 27.6 224 228 A H E -dg 116 268A 0 -109,-3.0 -107,-2.6 -2,-0.4 2,-0.6 -0.973 9.4-163.5-109.3 122.2 32.8 2.6 24.3 225 229 A L E -dg 117 269A 0 43,-2.7 45,-2.2 -2,-0.6 2,-0.8 -0.923 5.2-169.0-109.1 117.0 34.2 5.4 22.1 226 230 A S E -dg 118 270A 0 -109,-2.3 -107,-1.9 -2,-0.6 2,-0.8 -0.903 11.6-167.9-105.5 103.0 32.0 6.5 19.2 227 231 A F E -dg 119 271A 1 43,-2.2 45,-2.9 -2,-0.8 2,-0.5 -0.845 10.0-167.6-103.0 106.4 34.2 8.8 17.1 228 232 A D E > - g 0 272A 2 -109,-2.9 3,-2.0 -2,-0.8 4,-0.3 -0.787 20.0-142.4 -85.7 127.4 32.4 10.8 14.4 229 233 A V G > S+ 0 0 1 43,-2.6 3,-1.2 -2,-0.5 -1,-0.1 0.737 97.0 71.4 -70.5 -16.7 35.1 12.1 12.2 230 234 A D G 3 S+ 0 0 1 1,-0.2 14,-0.3 42,-0.2 -1,-0.3 0.525 77.6 82.2 -72.4 -2.5 33.1 15.4 11.8 231 235 A G G < S+ 0 0 0 -3,-2.0 17,-1.8 -112,-0.3 -1,-0.2 0.868 85.0 69.0 -64.7 -34.7 34.0 16.0 15.5 232 236 A L B < S-j 248 0D 1 -3,-1.2 12,-0.3 -4,-0.3 17,-0.2 -0.527 107.5 -86.4 -83.2 153.6 37.4 17.3 14.2 233 237 A D >> - 0 0 32 15,-2.5 3,-2.3 -2,-0.2 4,-1.8 -0.209 36.4-117.6 -54.6 144.0 37.6 20.5 12.2 234 238 A P T 34 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.696 110.9 75.1 -65.9 -13.8 37.0 20.1 8.4 235 239 A S T 34 S+ 0 0 55 2,-0.2 -2,-0.1 1,-0.2 14,-0.0 0.706 110.5 28.9 -65.0 -17.1 40.6 21.3 7.9 236 240 A F T <4 S+ 0 0 58 -3,-2.3 55,-0.3 1,-0.1 -1,-0.2 0.715 137.0 24.9-109.2 -31.6 41.6 17.8 9.1 237 241 A T < + 0 0 1 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.1 -0.522 67.9 147.6-133.2 64.1 38.6 15.7 8.0 238 242 A P + 0 0 17 0, 0.0 2,-2.6 0, 0.0 -1,-0.1 0.814 53.5 83.2 -69.6 -31.8 36.9 17.4 5.1 239 243 A A S S+ 0 0 0 45,-0.5 36,-2.6 -3,-0.1 2,-0.3 -0.419 74.6 103.9 -75.7 74.2 35.6 14.3 3.3 240 244 A T B S-K 274 0E 5 -2,-2.6 34,-0.1 38,-0.3 33,-0.1 -0.976 75.0-115.2-156.2 158.7 32.5 13.9 5.4 241 245 A G S S+ 0 0 12 32,-0.5 -1,-0.1 -2,-0.3 33,-0.1 0.890 103.6 23.9 -69.7 -44.4 28.8 14.5 5.2 242 246 A T S S+ 0 0 34 31,-0.1 -1,-0.2 2,-0.0 -121,-0.1 -0.576 76.8 178.7-127.8 67.2 28.0 17.2 7.8 243 247 A P - 0 0 63 0, 0.0 2,-0.4 0, 0.0 -10,-0.1 -0.393 6.7-166.9 -73.1 148.8 31.3 19.2 8.4 244 248 A V - 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0 0 43 -56,-0.1 -56,-0.1 -2,-0.1 5,-0.0 -0.905 37.9-122.4-118.1 132.3 21.3 7.9 -16.8 494 183 B D > - 0 0 45 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.258 26.4-111.5 -71.7 157.7 25.0 8.1 -17.7 495 184 B P H > S+ 0 0 118 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.898 120.4 47.0 -56.4 -43.8 27.7 6.5 -15.5 496 185 B G H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.894 111.9 53.0 -65.3 -35.2 29.1 9.9 -14.4 497 186 B E H > S+ 0 0 5 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.877 107.0 50.4 -67.0 -41.1 25.5 11.1 -13.8 498 187 B H H X S+ 0 0 95 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.845 107.6 53.3 -67.2 -37.8 24.7 8.1 -11.5 499 188 B Y H X S+ 0 0 120 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.907 112.7 45.7 -61.9 -38.9 27.8 8.7 -9.5 500 189 B I H X S+ 0 0 19 -4,-1.9 4,-3.0 2,-0.2 5,-0.4 0.973 111.3 51.9 -65.6 -52.2 26.6 12.4 -9.0 501 190 B L H X>S+ 0 0 2 -4,-3.1 5,-1.5 1,-0.2 4,-1.3 0.936 118.1 36.5 -44.9 -57.2 23.1 11.4 -8.2 502 191 B K H <5S+ 0 0 84 -4,-2.3 -484,-2.2 1,-0.2 -1,-0.2 0.837 116.0 53.3 -72.4 -39.4 24.2 8.9 -5.5 503 192 B T H <5S+ 0 0 13 -4,-2.3 -484,-0.3 -5,-0.3 -1,-0.2 0.952 115.1 38.2 -62.4 -47.9 27.0 11.0 -4.2 504 193 B L H <5S- 0 0 23 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.638 106.1-125.5 -83.4 -17.0 25.0 14.2 -3.6 505 194 B G T <5 + 0 0 17 -4,-1.3 -3,-0.2 -5,-0.4 -4,-0.1 0.788 39.8 177.2 82.6 30.5 21.9 12.3 -2.4 506 195 B I < - 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