==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JAN-11 3QJ4 . COMPND 2 MOLECULE: RENALASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MILANI,F.CIRIELLO,S.BARONI,V.PANDINI,A.ALIVERTI,G.CANEVARI . 668 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 5 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 . 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 8 0 2 0 2 3 1 1 0 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 5 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 0 PARALLEL BRIDGES PER LADDER . 1 3 10 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 4 0 0 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 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 1 A M 0 0 193 0, 0.0 2,-0.2 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 -44.6 -1.8 0.8 45.3 2 2 A A E -a 28 0A 32 25,-0.8 27,-3.1 151,-0.1 2,-0.6 -0.458 360.0-152.7 -65.0 126.4 -1.2 1.6 41.5 3 3 A Q E -a 29 0A 65 -2,-0.2 151,-2.3 25,-0.2 152,-2.0 -0.929 14.9-173.1-105.3 110.5 -0.9 -1.6 39.3 4 4 A V E -ab 30 155A 3 25,-2.8 27,-2.6 -2,-0.6 2,-0.5 -0.931 6.3-160.6-111.4 129.9 1.2 -0.9 36.2 5 5 A L E -ab 31 156A 0 150,-2.7 152,-2.3 -2,-0.4 2,-0.5 -0.943 4.0-166.7-112.3 129.8 1.6 -3.5 33.4 6 6 A I E -ab 32 157A 0 25,-2.8 27,-2.4 -2,-0.5 2,-0.7 -0.969 11.5-153.0-114.6 116.2 4.4 -3.4 30.8 7 7 A V E +ab 33 158A 10 150,-2.7 152,-2.1 -2,-0.5 153,-0.3 -0.868 66.2 34.4 -96.4 111.9 3.8 -5.7 27.8 8 8 A G - 0 0 13 25,-3.2 2,-0.9 -2,-0.7 26,-0.2 0.364 63.3-139.4 113.4 116.4 7.1 -6.9 26.3 9 9 A A + 0 0 0 29,-0.2 31,-2.9 4,-0.1 32,-0.1 -0.531 67.6 114.2 -98.4 60.4 10.4 -7.7 28.1 10 10 A G S > S- 0 0 13 -2,-0.9 4,-1.8 29,-0.2 5,-0.2 -0.224 86.6 -72.5-108.2-159.5 12.5 -6.1 25.4 11 11 A M H > S+ 0 0 13 29,-0.3 4,-1.5 2,-0.2 5,-0.1 0.944 129.8 42.1 -68.1 -51.0 14.7 -3.0 25.3 12 12 A T H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 117.6 47.3 -62.4 -47.4 12.0 -0.4 25.4 13 13 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.839 110.9 48.0 -64.8 -44.0 9.9 -2.2 28.1 14 14 A S H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.868 115.1 46.9 -68.1 -35.5 12.8 -3.1 30.5 15 15 A L H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.866 109.6 53.0 -72.2 -38.1 14.0 0.6 30.4 16 16 A C H X S+ 0 0 3 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.920 111.8 47.6 -59.6 -46.4 10.3 1.9 30.9 17 17 A A H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.865 113.8 46.0 -60.4 -45.2 10.2 -0.3 34.0 18 18 A A H X S+ 0 0 7 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.851 114.7 47.5 -68.9 -38.3 13.6 0.9 35.3 19 19 A L H < S+ 0 0 11 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.782 108.6 55.1 -73.5 -30.4 12.7 4.6 34.6 20 20 A L H < S+ 0 0 14 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.812 98.4 61.8 -70.9 -33.5 9.3 4.2 36.3 21 21 A R H < S+ 0 0 96 -4,-1.2 3,-0.3 -5,-0.1 -1,-0.2 0.872 104.7 58.0 -59.9 -36.9 11.0 2.9 39.5 22 22 A R S < S+ 0 0 131 -4,-0.8 99,-0.0 1,-0.2 0, 0.0 -0.484 99.5 37.0 -85.6 160.7 12.7 6.4 39.6 23 23 A Q 0 0 167 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.850 360.0 360.0 62.4 40.4 10.6 9.6 39.8 24 24 A T 0 0 82 -3,-0.3 -2,-0.1 4,-0.0 -3,-0.1 0.414 360.0 360.0-142.8 360.0 7.8 8.1 42.1 25 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 26 26 A G 0 0 60 0, 0.0 3,-0.0 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0-124.5 6.5 5.0 44.9 27 27 A P + 0 0 110 0, 0.0 -25,-0.8 0, 0.0 2,-0.3 0.411 360.0 126.5 -94.5 138.8 4.4 3.1 45.9 28 28 A L E -a 2 0A 33 -27,-0.2 2,-0.5 -7,-0.0 -25,-0.2 -0.996 53.0-126.2-151.3 153.3 3.5 0.9 42.9 29 29 A Y E -a 3 0A 57 -27,-3.1 -25,-2.8 -2,-0.3 2,-0.6 -0.898 28.1-158.1-100.0 119.9 3.2 -2.7 41.7 30 30 A L E -a 4 0A 6 -2,-0.5 94,-3.1 -27,-0.2 2,-0.4 -0.899 12.0-179.9-105.4 114.2 5.3 -3.4 38.5 31 31 A A E -ac 5 124A 0 -27,-2.6 -25,-2.8 -2,-0.6 2,-0.4 -0.928 8.1-167.1-114.3 135.2 4.3 -6.3 36.3 32 32 A V E -ac 6 125A 0 92,-2.6 94,-3.3 -2,-0.4 2,-0.4 -0.993 7.8-169.0-121.0 124.1 6.2 -7.3 33.1 33 33 A W E +ac 7 126A 0 -27,-2.4 -25,-3.2 -2,-0.4 2,-0.3 -0.962 7.8 175.3-116.8 133.8 4.6 -9.8 30.7 34 34 A D - 0 0 21 92,-2.1 95,-2.2 -2,-0.4 94,-0.4 -0.997 30.2-144.2-138.1 138.7 6.3 -11.5 27.7 35 35 A K S S+ 0 0 131 -2,-0.3 95,-0.2 93,-0.3 92,-0.1 0.661 80.4 83.0 -70.6 -20.3 4.9 -14.2 25.3 36 36 A A S S- 0 0 41 2,-0.2 92,-2.3 93,-0.1 93,-0.2 -0.269 89.2-115.6 -82.5 169.0 8.5 -15.8 25.1 37 37 A D S S+ 0 0 109 90,-0.2 2,-0.2 91,-0.1 90,-0.1 0.755 98.6 16.8 -72.9 -29.9 10.2 -18.2 27.5 38 38 A D S S- 0 0 78 1,-0.1 3,-0.2 3,-0.0 -2,-0.2 -0.774 85.4 -97.5-136.0 175.4 12.9 -15.6 28.2 39 39 A S S S+ 0 0 4 -2,-0.2 -29,-0.2 1,-0.1 -1,-0.1 -0.280 76.4 78.5 -88.9 177.1 13.5 -11.7 28.0 40 40 A G > - 0 0 2 -31,-2.9 3,-1.2 4,-0.1 2,-0.4 -0.258 57.2-159.7 120.0 -45.6 15.4 -9.7 25.3 41 41 A G G > S- 0 0 32 1,-0.3 3,-0.7 -3,-0.2 -31,-0.1 -0.559 82.3 -4.2 70.7-116.3 13.0 -9.5 22.3 42 42 A R G 3 S+ 0 0 65 -2,-0.4 18,-2.1 1,-0.2 -1,-0.3 0.269 135.5 64.7 -90.2 9.1 15.1 -8.6 19.2 43 43 A M G < S+ 0 0 18 -3,-1.2 -1,-0.2 16,-0.3 -2,-0.2 -0.092 77.6 143.2-114.9 25.6 18.1 -8.4 21.6 44 44 A T < - 0 0 32 -3,-0.7 14,-0.8 66,-0.1 15,-0.8 -0.221 39.5-149.2 -70.3 158.7 18.1 -12.0 22.6 45 45 A T E -F 57 0B 25 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.994 10.1-149.5-126.6 124.7 21.1 -14.3 23.2 46 46 A A E -F 56 0B 8 10,-3.0 10,-2.3 -2,-0.4 2,-0.3 -0.718 10.1-151.1 -94.6 143.8 20.9 -18.0 22.5 47 47 A C E -F 55 0B 67 -2,-0.3 8,-0.2 8,-0.2 6,-0.1 -0.879 20.5-108.4-115.2 146.3 22.9 -20.4 24.6 48 48 A S - 0 0 6 6,-2.6 3,-0.4 3,-0.7 6,-0.2 -0.469 13.7-139.6 -71.2 139.8 24.3 -23.7 23.5 49 49 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 231,-0.0 0.899 105.4 56.9 -63.7 -39.2 22.7 -26.9 24.9 50 50 A H S S+ 0 0 121 1,-0.2 -2,-0.0 2,-0.0 -3,-0.0 0.792 128.1 2.5 -61.1 -33.1 26.1 -28.4 25.3 51 51 A N > - 0 0 48 -3,-0.4 3,-1.1 3,-0.2 -3,-0.7 -0.902 55.7-146.9-158.2 126.7 27.4 -25.4 27.5 52 52 A P T 3 S+ 0 0 93 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.588 101.4 64.6 -72.6 -8.2 25.5 -22.3 28.8 53 53 A Q T 3 S+ 0 0 130 -6,-0.1 2,-0.8 2,-0.1 -6,-0.0 0.658 81.0 85.5 -83.9 -23.2 28.8 -20.4 28.5 54 54 A C < + 0 0 5 -3,-1.1 -6,-2.6 -6,-0.2 2,-0.3 -0.781 69.9 176.5 -85.1 105.1 28.8 -20.8 24.6 55 55 A T E -F 47 0B 16 -2,-0.8 2,-0.3 -8,-0.2 -8,-0.2 -0.890 22.6-172.6-122.5 146.7 26.6 -17.8 23.7 56 56 A A E -F 46 0B 0 -10,-2.3 -10,-3.0 -2,-0.3 2,-0.8 -0.997 22.2-136.1-141.1 132.0 25.3 -16.1 20.4 57 57 A D E -F 45 0B 1 -2,-0.3 -12,-0.2 -12,-0.2 -13,-0.1 -0.807 21.3-177.6 -88.5 107.9 23.4 -12.8 19.9 58 58 A L S S+ 0 0 0 -14,-0.8 -1,-0.2 -2,-0.8 -13,-0.1 0.801 71.8 24.5 -77.1 -32.0 20.7 -13.7 17.3 59 59 A G S S+ 0 0 8 -15,-0.8 -16,-0.3 1,-0.3 -2,-0.1 0.574 117.9 25.5 -97.3-113.4 19.2 -10.2 17.0 60 60 A A - 0 0 42 -18,-2.1 -1,-0.3 1,-0.1 50,-0.2 -0.259 57.9-170.8 -58.9 136.5 21.2 -6.9 17.7 61 61 A Q - 0 0 15 1,-0.3 45,-0.3 -3,-0.1 2,-0.3 0.877 58.3 -6.5 -97.3 -52.3 25.0 -7.2 17.4 62 62 A Y - 0 0 32 43,-0.1 2,-0.7 27,-0.0 -1,-0.3 -0.958 64.2-109.0-147.7 160.9 26.6 -4.0 18.8 63 63 A I E -G 104 0C 7 41,-2.2 41,-1.6 -2,-0.3 2,-0.6 -0.863 28.3-159.5 -98.6 107.6 25.7 -0.6 20.1 64 64 A T E -G 103 0C 44 -2,-0.7 2,-0.7 39,-0.2 259,-0.2 -0.799 5.9-160.2 -88.4 115.9 26.6 2.3 17.7 65 65 A C E -G 102 0C 10 37,-2.7 37,-1.8 -2,-0.6 5,-0.1 -0.894 4.0-155.7-106.0 108.4 26.9 5.6 19.6 66 66 A T - 0 0 51 -2,-0.7 4,-0.4 35,-0.2 3,-0.3 -0.495 30.6-110.7 -77.1 151.2 26.6 8.7 17.3 67 67 A P S S+ 0 0 44 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.627 116.5 55.0 -58.9 -11.9 28.2 12.0 18.5 68 68 A H S > S+ 0 0 119 1,-0.1 4,-1.0 3,-0.1 5,-0.0 0.918 102.1 50.9 -83.7 -51.5 24.6 13.4 18.9 69 69 A Y H > S+ 0 0 39 -3,-0.3 4,-1.9 3,-0.2 2,-0.3 0.332 100.2 85.2 -74.1 10.7 23.1 10.8 21.3 70 70 A A H 4 S+ 0 0 36 -4,-0.4 -1,-0.1 2,-0.2 -5,-0.0 -0.918 100.1 18.0-147.0 112.0 26.2 11.2 23.5 71 71 A K H >4 S+ 0 0 142 -2,-0.3 3,-0.5 0, 0.0 4,-0.3 -0.918 123.4 65.0 -90.2 20.7 26.0 13.5 25.5 72 72 A K H 3< S+ 0 0 119 -4,-1.0 -2,-0.2 1,-0.2 3,-0.2 0.941 122.4 21.0 -66.9 -44.2 22.2 13.4 25.0 73 73 A H T >X S+ 0 0 3 -4,-1.9 4,-1.6 1,-0.2 3,-1.1 -0.016 89.6 129.6-109.4 25.5 21.9 9.9 26.5 74 74 A Q H <> + 0 0 98 -3,-0.5 4,-2.7 1,-0.3 5,-0.3 0.848 67.4 57.1 -44.3 -51.4 25.2 10.3 28.4 75 75 A R H 3> S+ 0 0 133 -4,-0.3 4,-1.1 1,-0.2 -1,-0.3 0.816 107.7 48.2 -54.4 -37.8 23.6 9.1 31.7 76 76 A F H <> S+ 0 0 12 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.914 113.7 45.6 -70.5 -46.6 22.5 5.8 30.1 77 77 A Y H X S+ 0 0 10 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.945 112.6 49.0 -63.4 -51.2 25.9 5.0 28.5 78 78 A D H X S+ 0 0 85 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.778 111.0 51.6 -61.1 -30.5 28.0 5.8 31.6 79 79 A E H X S+ 0 0 42 -4,-1.1 4,-1.8 -5,-0.3 -1,-0.2 0.942 110.9 46.5 -71.5 -47.0 25.7 3.7 33.8 80 80 A L H <>S+ 0 0 0 -4,-2.0 6,-2.3 1,-0.2 5,-0.8 0.713 115.1 48.5 -66.4 -23.3 26.0 0.6 31.5 81 81 A L H <5S+ 0 0 59 -4,-1.5 3,-0.5 4,-0.2 -1,-0.2 0.809 107.2 53.7 -84.6 -36.3 29.8 1.2 31.4 82 82 A A H <5S+ 0 0 88 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.878 111.4 46.8 -65.9 -39.1 30.3 1.5 35.2 83 83 A Y T <5S- 0 0 143 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.537 111.0-123.3 -78.8 -9.5 28.4 -1.9 35.6 84 84 A G T 5S+ 0 0 41 -3,-0.5 -3,-0.2 2,-0.2 -4,-0.1 0.537 77.8 125.2 77.5 -0.6 30.6 -3.5 32.9 85 85 A V S -i 210 0D 32 -2,-0.2 3,-1.0 116,-0.2 118,-0.2 -0.923 18.0-140.5-128.3 101.3 34.6 -5.7 11.7 94 94 A E E 3 S+i 211 0D 94 116,-1.9 118,-2.5 -2,-0.4 0, 0.0 -0.376 80.0 22.3 -63.4 135.6 35.0 -5.6 7.9 95 95 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.2 116,-0.2 2,-0.2 0.443 84.6 143.2 88.5 5.8 32.6 -3.4 5.8 96 96 A M < - 0 0 55 -3,-1.0 2,-0.3 1,-0.0 -1,-0.3 -0.521 39.3-142.6 -82.1 143.0 31.6 -1.0 8.6 97 97 A V 0 0 123 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.798 360.0 360.0-103.4 146.7 31.0 2.8 8.0 98 98 A M 0 0 140 -2,-0.3 3,-0.6 2,-0.0 -1,-0.1 0.484 360.0 360.0-128.5 360.0 32.0 5.7 10.5 99 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 100 101 A G 0 0 64 0, 0.0 -2,-0.0 0, 0.0 498,-0.0 0.000 360.0 360.0 360.0 29.1 33.2 10.4 15.1 101 102 A D - 0 0 41 -3,-0.6 2,-0.4 -35,-0.1 -35,-0.2 -0.213 360.0-149.4 -68.8 158.4 31.1 7.3 16.1 102 103 A C E -G 65 0C 57 -37,-1.8 -37,-2.7 2,-0.0 2,-0.3 -0.995 6.8-148.1-135.3 125.6 31.9 4.9 18.9 103 104 A N E -G 64 0C 20 -2,-0.4 -14,-2.1 -39,-0.2 2,-0.3 -0.740 13.5-171.9 -96.7 143.2 31.1 1.1 19.0 104 105 A F E -GH 63 88C 17 -41,-1.6 -41,-2.2 -2,-0.3 2,-0.3 -0.940 4.8-162.0-131.7 151.1 30.3 -0.9 22.2 105 106 A V E - H 0 87C 2 -18,-3.3 -18,-2.2 -2,-0.3 -43,-0.1 -0.932 21.9-125.7-131.6 153.7 29.8 -4.6 22.9 106 107 A A > - 0 0 2 -45,-0.3 3,-1.9 -2,-0.3 -20,-0.2 -0.892 17.4-158.9-101.8 102.8 28.1 -6.6 25.8 107 108 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.755 91.8 44.6 -56.6 -26.9 30.7 -9.1 27.1 108 109 A Q T 3 S- 0 0 164 -23,-0.3 3,-0.1 1,-0.3 -22,-0.1 0.310 133.3 -72.4 -99.1 9.5 28.1 -11.4 28.7 109 110 A G X - 0 0 0 -3,-1.9 3,-2.4 -24,-0.1 -1,-0.3 0.135 45.7 -92.9 105.0 137.0 25.7 -11.3 25.7 110 111 A I T > S+ 0 0 1 1,-0.3 3,-1.2 -50,-0.2 4,-0.4 0.702 119.7 67.4 -52.4 -25.5 23.5 -8.4 24.4 111 112 A S T 3> S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.603 81.2 80.1 -71.0 -13.8 20.4 -9.7 26.4 112 113 A S H <> S+ 0 0 18 -3,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.707 83.6 61.9 -64.4 -26.5 22.4 -8.7 29.6 113 114 A I H <> S+ 0 0 0 -3,-1.2 4,-1.9 -4,-0.2 -1,-0.2 0.956 107.2 42.2 -64.3 -52.0 21.3 -5.1 29.1 114 115 A I H > S+ 0 0 0 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.915 113.3 53.2 -59.9 -47.3 17.6 -6.0 29.4 115 116 A K H X S+ 0 0 86 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.840 108.7 51.3 -57.4 -37.2 18.3 -8.3 32.4 116 117 A H H X S+ 0 0 11 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.901 111.9 44.9 -66.6 -45.9 20.2 -5.4 34.1 117 118 A Y H X S+ 0 0 5 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.831 111.3 54.5 -68.4 -33.4 17.2 -3.0 33.7 118 119 A L H X>S+ 0 0 15 -4,-2.4 4,-0.7 2,-0.2 5,-0.6 0.878 111.3 43.2 -68.4 -42.1 14.7 -5.6 34.8 119 120 A K H ><5S+ 0 0 161 -4,-1.8 3,-0.7 2,-0.2 -2,-0.2 0.897 110.6 56.3 -70.9 -38.1 16.5 -6.3 38.1 120 121 A E H 3<5S+ 0 0 76 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.845 108.0 50.3 -58.2 -37.1 17.0 -2.5 38.7 121 122 A S H 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -107,-0.1 -2,-0.2 0.684 94.0-145.1 -75.7 -23.8 13.2 -2.2 38.4 122 123 A G T <<5 + 0 0 60 -3,-0.7 -3,-0.1 -4,-0.7 -92,-0.1 0.515 44.0 158.7 67.9 1.2 12.4 -4.9 40.9 123 124 A A < - 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0 0 83 -2,-0.1 -2,-0.1 -5,-0.1 -3,-0.0 -0.230 61.9-113.5 -63.4 143.5 -7.4 -16.1 34.2 150 151 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.314 28.5-142.1 -75.5 162.3 -7.6 -12.3 33.3 151 152 A E E -O 143 0E 73 -8,-2.4 -8,-3.0 -2,-0.0 2,-0.3 -0.963 5.2-127.5-132.7 146.5 -5.9 -9.5 35.4 152 153 A Q E +O 142 0E 92 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.732 29.2 172.0 -93.9 134.1 -6.7 -5.9 36.6 153 154 A F E -O 141 0E 5 -12,-1.6 -12,-2.3 -2,-0.3 -149,-0.2 -0.988 33.2-151.8-141.6 150.3 -4.3 -2.9 36.1 154 155 A D S S+ 0 0 47 -151,-2.3 155,-0.7 -2,-0.3 2,-0.3 0.857 88.6 23.4 -83.7 -42.5 -4.4 0.9 36.5 155 156 A L E -bd 4 309A 24 -152,-2.0 -150,-2.7 153,-0.2 2,-0.4 -0.969 64.1-166.6-130.0 145.3 -1.8 1.7 33.7 156 157 A I E -bd 5 310A 0 153,-1.9 155,-1.7 -2,-0.3 2,-0.4 -0.999 4.0-171.8-131.9 135.2 -0.6 -0.2 30.6 157 158 A V E -bd 6 311A 1 -152,-2.3 -150,-2.7 -2,-0.4 2,-0.5 -0.998 12.2-157.7-123.9 123.0 2.4 0.4 28.4 158 159 A L E +bd 7 312A 0 153,-2.8 155,-3.8 -2,-0.4 -150,-0.1 -0.917 19.8 167.5-104.6 126.5 2.6 -1.6 25.2 159 160 A T + 0 0 17 -152,-2.1 156,-0.3 -2,-0.5 -147,-0.2 0.412 36.5 114.7-118.8 -1.9 6.1 -2.1 23.6 160 161 A M S S- 0 0 36 -153,-0.3 5,-0.2 1,-0.1 153,-0.1 -0.368 82.8 -73.6 -70.7 151.1 5.6 -4.9 21.0 161 162 A P >> - 0 0 17 0, 0.0 3,-2.2 0, 0.0 4,-0.9 -0.113 51.8-108.7 -45.4 135.4 6.0 -4.1 17.2 162 163 A V H >> S+ 0 0 2 1,-0.3 4,-1.9 2,-0.2 3,-0.9 0.774 115.4 56.7 -37.6 -49.8 3.0 -2.1 15.9 163 164 A P H 34 S+ 0 0 40 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.794 106.7 52.5 -59.3 -24.9 1.4 -4.9 13.8 164 165 A E H <> S+ 0 0 56 -3,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.777 105.0 53.0 -79.0 -26.9 1.2 -7.0 17.0 165 166 A I H X< S+ 0 0 2 -3,-0.9 3,-1.0 -4,-0.9 -1,-0.2 0.900 108.9 52.0 -69.7 -40.1 -0.6 -4.1 18.9 166 167 A L T 3< S+ 0 0 48 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.633 100.2 62.6 -69.0 -19.7 -3.1 -4.1 15.9 167 168 A Q T 34 S+ 0 0 141 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 0.704 80.9 104.9 -79.0 -21.1 -3.7 -7.9 16.3 168 169 A L << - 0 0 9 -3,-1.0 -35,-0.2 -4,-0.5 2,-0.2 -0.361 61.4-148.0 -63.9 135.3 -5.1 -7.5 19.9 169 170 A Q B +p 133 0F 120 -37,-1.9 -35,-1.3 3,-0.1 3,-0.3 -0.556 48.8 51.9-101.9 165.1 -8.9 -7.9 20.2 170 171 A G S > S- 0 0 18 -37,-0.2 3,-1.6 -2,-0.2 4,-0.3 -0.632 107.1 -22.1 110.3-165.2 -11.3 -6.1 22.7 171 172 A D T >> S+ 0 0 54 1,-0.3 3,-1.6 -2,-0.2 4,-0.7 0.732 122.0 73.5 -54.3 -28.8 -12.1 -2.5 23.7 172 173 A I H >> S+ 0 0 2 -38,-1.3 3,-1.0 -3,-0.3 4,-1.0 0.850 87.6 61.5 -52.6 -41.4 -8.6 -1.5 22.5 173 174 A T H <4 S+ 0 0 57 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.692 110.9 40.1 -60.1 -24.4 -9.8 -1.8 18.8 174 175 A T H <4 S+ 0 0 115 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.450 105.2 64.1-104.6 -5.7 -12.4 0.9 19.6 175 176 A L H << S+ 0 0 34 -3,-1.0 2,-0.6 -4,-0.7 -2,-0.2 0.609 87.2 85.9 -88.6 -15.7 -10.1 3.1 21.7 176 177 A I S < S- 0 0 15 -4,-1.0 2,-0.1 4,-0.0 128,-0.1 -0.794 79.6-139.2 -88.7 116.9 -7.9 3.6 18.5 177 178 A S > - 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D 0 580K 7 -15,-4.0 4,-2.2 -2,-0.4 3,-0.5 -0.848 23.5-170.1-100.1 85.3 47.1 28.7 21.3 566 227 B D H > S+ 0 0 0 13,-1.1 4,-2.0 -2,-1.0 -1,-0.2 0.810 82.3 58.6 -46.3 -39.7 45.2 29.6 24.6 567 228 B N H 4>S+ 0 0 22 12,-0.7 5,-2.1 1,-0.2 4,-0.4 0.919 112.3 37.0 -53.0 -58.2 48.0 28.0 26.5 568 229 B K H 45S+ 0 0 109 -3,-0.5 -2,-0.2 11,-0.2 -1,-0.2 0.779 112.7 58.8 -69.2 -37.1 50.7 30.5 25.0 569 230 B K H <5S+ 0 0 3 -4,-2.2 -140,-0.4 -19,-0.3 -139,-0.2 0.887 112.4 38.3 -62.2 -45.3 48.3 33.5 25.0 570 231 B R T <5S- 0 0 7 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.523 113.1-125.0 -82.3 -10.7 47.7 33.4 28.8 571 232 B N T 5 - 0 0 60 -4,-0.4 2,-0.6 1,-0.2 -3,-0.2 0.967 35.0-174.3 59.0 60.4 51.4 32.5 29.2 572 233 B I < - 0 0 48 -5,-2.1 -1,-0.2 1,-0.1 -2,-0.0 -0.801 10.4-162.2 -82.3 117.2 51.0 29.2 31.2 573 234 B E 0 0 173 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.807 360.0 360.0 -72.7 -35.6 54.5 28.1 32.2 574 235 B S 0 0 120 3,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.736 360.0 360.0 -74.5 360.0 53.6 24.5 33.0 575 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 576 238 B I 0 0 55 0, 0.0 3,-0.1 0, 0.0 -33,-0.0 0.000 360.0 360.0 360.0 142.1 48.9 21.2 31.5 577 239 B G - 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0 0 70 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.367 30.8-136.1 -61.4 130.3 24.8 18.8 12.8 597 259 B I H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.859 108.0 51.2 -56.3 -39.0 27.6 19.7 15.4 598 260 B E H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 110.3 48.9 -66.2 -39.8 29.5 16.6 14.4 599 261 B D H > S+ 0 0 69 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.925 112.7 47.2 -64.1 -47.1 29.3 17.5 10.7 600 262 B V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.4 0.881 108.5 56.2 -61.5 -42.5 30.5 21.1 11.5 601 263 B Q H X S+ 0 0 23 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.881 106.9 49.5 -57.7 -43.1 33.4 19.8 13.6 602 264 B E H X S+ 0 0 75 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.751 108.2 53.7 -69.9 -27.5 34.6 17.7 10.7 603 265 B L H X S+ 0 0 45 -4,-1.1 4,-1.3 -3,-0.4 -2,-0.2 0.913 113.6 41.5 -71.5 -45.5 34.5 20.7 8.3 604 266 B V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.876 110.2 58.1 -69.9 -40.4 36.7 22.9 10.7 605 267 B F H X S+ 0 0 51 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.895 109.1 44.3 -60.7 -45.3 39.1 20.0 11.5 606 268 B Q H X S+ 0 0 123 -4,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.818 110.0 54.5 -67.8 -35.8 40.0 19.5 7.9 607 269 B Q H >X S+ 0 0 36 -4,-1.3 4,-1.5 1,-0.2 3,-0.6 0.827 102.2 60.2 -63.5 -31.9 40.3 23.2 7.3 608 270 B L H 3X S+ 0 0 5 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.847 97.0 59.4 -67.8 -30.3 42.8 23.2 10.2 609 271 B E H 3< S+ 0 0 119 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.783 105.9 48.2 -66.2 -29.6 45.0 20.8 8.3 610 272 B N H << S+ 0 0 115 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.889 115.9 42.9 -76.8 -42.3 45.4 23.3 5.4 611 273 B I H < S+ 0 0 42 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.942 135.7 9.4 -68.7 -53.2 46.2 26.3 7.7 612 274 B L S < S- 0 0 20 -4,-2.9 -1,-0.2 -5,-0.1 2,-0.2 -0.776 74.5-170.9-135.4 91.2 48.6 24.3 10.0 613 275 B P + 0 0 107 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.574 62.2 54.3 -80.2 145.9 49.7 20.7 9.0 614 276 B G + 0 0 77 1,-0.3 -68,-0.2 -2,-0.2 -5,-0.0 0.791 68.9 137.6 101.3 41.0 51.6 18.5 11.4 615 277 B L - 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0 0 8 -99,-2.7 2,-0.3 -3,-0.7 -98,-0.2 0.993 61.2 -7.1 -67.6 -67.2 28.2 36.3 18.2 630 292 B Q S S- 0 0 78 -100,-0.3 -100,-2.7 -4,-0.1 2,-0.4 -0.992 72.3-102.0-139.3 146.0 28.7 40.1 17.8 631 293 B V E +H 529 0N 21 -2,-0.3 29,-0.3 -102,-0.2 -102,-0.3 -0.493 34.8 172.8 -68.1 117.5 26.5 43.1 17.2 632 294 B T E S+ 0 0 99 -104,-2.2 2,-0.5 -2,-0.4 -1,-0.2 0.911 79.4 21.7 -90.3 -56.3 26.7 44.2 13.5 633 295 B N E S-H 528 0N 84 -105,-0.8 -105,-2.1 -107,-0.1 -1,-0.4 -0.960 81.4-162.6-110.5 121.4 24.0 46.8 13.8 634 296 B A - 0 0 32 -2,-0.5 2,-0.3 -107,-0.2 23,-0.2 0.042 25.7 -82.3 -84.0-162.4 23.3 48.2 17.2 635 297 B A - 0 0 8 21,-0.8 5,-0.1 23,-0.1 -1,-0.1 -0.794 66.8 -38.3-116.6 148.7 20.3 50.1 18.4 636 298 B A 0 0 54 -2,-0.3 -2,-0.1 -113,-0.2 21,-0.0 -0.130 360.0 360.0 55.2-127.1 18.9 53.6 18.4 637 299 B N 0 0 189 20,-0.0 -3,-0.1 0, 0.0 -2,-0.1 0.668 360.0 360.0-105.8 360.0 21.7 56.1 18.9 638 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 639 301 B P 0 0 80 0, 0.0 19,-0.1 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 2.5 21.8 54.6 24.5 640 302 B G + 0 0 3 17,-1.2 14,-0.4 -5,-0.1 2,-0.3 -0.123 360.0 21.6 93.4 -27.8 23.4 52.0 26.7 641 303 B Q - 0 0 36 16,-0.2 2,-0.4 30,-0.1 12,-0.2 -0.989 59.7-142.1-159.3 164.7 20.0 50.8 28.0 642 304 B M E -V 652 0H 24 10,-2.1 10,-2.6 -2,-0.3 2,-0.4 -0.950 13.4-157.8-136.4 113.6 16.2 50.7 27.4 643 305 B T E -V 651 0H 32 -2,-0.4 8,-0.3 8,-0.2 3,-0.1 -0.746 10.5-179.7 -86.5 132.8 13.6 51.1 30.3 644 306 B L E + 0 0 13 6,-2.6 2,-0.2 -2,-0.4 7,-0.2 0.518 68.6 4.0-114.0 -2.2 10.2 49.7 29.5 645 307 B H E > -V 650 0H 69 5,-1.0 5,-2.0 1,-0.1 -1,-0.4 -0.868 49.9-158.1-176.0 145.4 8.4 50.6 32.8 646 308 B H T 5S+ 0 0 109 -2,-0.2 -1,-0.1 3,-0.2 3,-0.1 0.899 76.0 62.8 -95.6 -52.0 9.2 52.4 36.1 647 309 B K T 5S+ 0 0 164 1,-0.3 -1,-0.2 2,-0.1 2,-0.1 -0.872 123.3 18.2-121.5 98.0 6.9 51.1 38.8 648 310 B P T 5S- 0 0 27 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.558 114.3-121.7 -76.8 158.0 7.7 48.2 39.0 649 311 B F E 5 +u 495 0H 6 -155,-0.7 -153,-1.9 -2,-0.1 2,-0.3 -0.510 37.4 164.5 -76.7 134.3 11.1 48.6 37.2 650 312 B L E < +uV 496 645H 0 -5,-2.0 -6,-2.6 -2,-0.2 -5,-1.0 -0.956 6.1 163.4-149.5 122.8 12.2 46.7 34.0 651 313 B A E -uV 497 643H 0 -155,-1.6 -153,-2.4 -2,-0.3 2,-0.4 -0.985 27.8-136.3-140.9 150.5 15.1 47.6 31.8 652 314 B C E +uV 498 642H 0 -10,-2.6 -10,-2.1 -2,-0.3 2,-0.2 -0.893 28.9 168.9-106.7 136.9 17.1 45.8 29.0 653 315 B G + 0 0 1 -155,-3.1 2,-0.2 -2,-0.4 3,-0.2 -0.725 18.5 90.3-131.7-177.4 20.9 46.1 29.0 654 316 B G S > S- 0 0 2 -14,-0.4 3,-1.3 -2,-0.2 4,-0.3 -0.619 83.9 -48.0 118.9-178.9 23.8 44.5 27.1 655 317 B D G > S+ 0 0 10 -156,-0.3 3,-0.8 1,-0.2 -1,-0.1 0.695 117.0 73.6 -66.5 -23.6 26.0 44.8 24.0 656 318 B G G 3 S+ 0 0 1 1,-0.2 -21,-0.8 -3,-0.2 -1,-0.2 0.661 103.0 44.4 -62.7 -17.2 23.0 45.2 21.6 657 319 B F G < S+ 0 0 13 -3,-1.3 -17,-1.2 -17,-0.2 -1,-0.2 0.508 133.5 9.3-102.4 -16.1 22.7 48.8 23.1 658 320 B T S < S- 0 0 28 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.1 0.348 110.6 -52.4-125.9-100.2 26.5 49.6 23.0 659 321 B Q - 0 0 109 2,-0.2 2,-2.4 -25,-0.1 5,-0.2 -0.977 45.2-104.1-152.9 150.0 29.2 47.4 21.3 660 322 B S S S+ 0 0 44 -29,-0.3 2,-0.3 -2,-0.3 -4,-0.0 -0.421 89.3 99.0 -79.7 67.7 30.3 43.7 21.3 661 323 B N S > S- 0 0 58 -2,-2.4 4,-1.6 1,-0.0 -2,-0.2 -0.901 87.6-107.4-146.1 162.3 33.3 44.6 23.5 662 324 B F H > S+ 0 0 10 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 0.863 123.0 49.1 -65.3 -37.4 34.3 44.6 27.3 663 325 B D H > S+ 0 0 1 -260,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.768 105.9 57.4 -74.8 -24.0 34.0 48.4 27.4 664 326 B G H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.888 106.3 48.7 -68.9 -42.4 30.6 48.2 25.7 665 327 B C H X S+ 0 0 13 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.821 110.5 52.0 -66.4 -35.7 29.3 46.0 28.6 666 328 B I H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.963 111.7 45.2 -64.7 -52.8 30.8 48.4 31.1 667 329 B T H X S+ 0 0 24 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.885 113.8 50.0 -58.2 -42.1 29.0 51.4 29.5 668 330 B S H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.874 112.0 47.8 -64.0 -40.3 25.7 49.4 29.2 669 331 B A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.879 111.8 49.3 -68.2 -40.5 26.0 48.4 32.9 670 332 B L H X S+ 0 0 52 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.837 110.3 52.2 -66.4 -35.1 26.7 52.0 34.0 671 333 B C H X S+ 0 0 46 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.840 108.8 49.0 -69.0 -39.4 23.7 53.2 31.9 672 334 B V H X S+ 0 0 0 -4,-1.6 4,-1.6 -32,-0.2 3,-0.3 0.901 110.3 52.4 -66.7 -42.3 21.3 50.7 33.6 673 335 B L H X S+ 0 0 19 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.835 107.3 50.6 -64.1 -36.0 22.5 51.8 37.1 674 336 B E H < S+ 0 0 152 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.759 109.0 52.9 -73.2 -25.3 21.9 55.5 36.4 675 337 B A H < S+ 0 0 34 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.867 113.4 44.1 -73.8 -37.3 18.3 54.5 35.2 676 338 B L H < S+ 0 0 12 -4,-1.6 -2,-0.2 1,-0.1 -3,-0.1 0.937 92.5 80.9 -69.4 -58.8 17.7 52.6 38.6 677 339 B K S < S+ 0 0 113 -4,-2.1 2,-1.8 1,-0.3 -1,-0.1 0.633 86.1 55.3 -21.6 -60.7 19.2 55.2 41.2 678 340 B N 0 0 134 -4,-0.5 -1,-0.3 -3,-0.1 -4,-0.0 -0.340 360.0 360.0 -81.3 55.9 16.2 57.6 41.5 679 341 B Y 0 0 234 -2,-1.8 -1,-0.1 -3,-0.1 -30,-0.1 -0.433 360.0 360.0 61.0 360.0 13.8 54.6 42.4