==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 13-JAN-13 4IQR . COMPND 2 MOLECULE: HEPATOCYTE NUCLEAR FACTOR 4-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.CHANDRA,P.HUANG,Y.KIM,F.RASTINEJAD . 1261 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 853 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 2 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 . 56 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 548 43.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.3 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 4 2 9 4 2 2 7 4 6 6 0 0 0 0 0 2 8 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 3 5 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 . 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 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 49 A A 0 0 127 0, 0.0 9,-2.1 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 169.0 28.6 -1.0 60.5 2 50 A L B -A 9 0A 109 7,-0.2 2,-0.5 1,-0.1 7,-0.2 -0.045 360.0 -83.3 -84.7-170.2 32.0 -2.4 59.9 3 51 A C - 0 0 10 5,-0.7 4,-0.3 1,-0.1 16,-0.2 -0.861 21.2-149.5-102.5 131.4 34.9 -1.1 57.8 4 52 A A S S+ 0 0 53 14,-2.5 15,-0.1 -2,-0.5 -1,-0.1 0.690 96.8 39.8 -70.3 -17.4 35.0 -1.7 54.1 5 53 A I S S+ 0 0 1 13,-0.4 42,-0.1 3,-0.1 -1,-0.1 0.910 133.9 7.4 -95.2 -72.6 38.8 -1.7 54.2 6 54 A C S S- 0 0 3 42,-0.1 43,-0.5 2,-0.1 -2,-0.1 0.692 93.7-120.2 -88.6 -20.8 40.1 -3.5 57.3 7 55 A G + 0 0 35 -4,-0.3 2,-0.2 1,-0.3 42,-0.2 0.818 66.4 129.6 86.4 32.2 36.9 -4.9 58.6 8 56 A D S S- 0 0 41 1,-0.1 -5,-0.7 41,-0.1 2,-0.3 -0.588 74.3 -68.0-109.3 172.8 36.8 -3.2 62.0 9 57 A R B -A 2 0A 199 -7,-0.2 -7,-0.2 -2,-0.2 -1,-0.1 -0.491 62.2-131.5 -63.5 124.0 34.0 -1.2 63.7 10 58 A A - 0 0 27 -9,-2.1 10,-0.3 -2,-0.3 3,-0.1 -0.339 13.0-148.8 -79.0 160.7 33.8 2.0 61.6 11 59 A T - 0 0 69 8,-1.8 2,-0.3 1,-0.4 9,-0.1 -0.043 66.8 -71.5-115.3 27.0 33.7 5.5 62.9 12 60 A G S S- 0 0 39 -11,-0.2 7,-0.8 2,-0.1 2,-0.5 -0.786 77.7 -37.7 117.7-163.0 31.5 6.8 60.0 13 61 A K E -B 18 0B 160 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.905 56.8-171.0-105.2 125.3 32.2 7.4 56.3 14 62 A H E > -B 17 0B 33 3,-3.2 3,-2.0 -2,-0.5 -2,-0.1 -0.963 63.6 -21.3-122.4 129.8 35.6 8.8 55.5 15 63 A Y T 3 S- 0 0 45 -2,-0.4 54,-3.3 1,-0.3 57,-0.3 0.576 133.5 -39.1 54.7 12.2 36.7 10.1 52.1 16 64 A G T 3 S+ 0 0 56 1,-0.3 2,-0.3 52,-0.2 -1,-0.3 0.296 125.5 67.1 124.8 -11.5 34.0 8.1 50.4 17 65 A A E < S-B 14 0B 5 -3,-2.0 -3,-3.2 50,-0.2 2,-1.0 -0.977 85.0-101.2-140.6 154.3 33.8 4.8 52.3 18 66 A S E +B 13 0B 28 -2,-0.3 -14,-2.5 -5,-0.3 -13,-0.4 -0.634 60.1 157.4 -76.9 104.4 32.8 3.6 55.7 19 67 A S - 0 0 0 -2,-1.0 -8,-1.8 -7,-0.8 -16,-0.1 -0.872 41.6-106.7-130.7 162.7 36.2 3.1 57.5 20 68 A C > - 0 0 2 -2,-0.3 4,-1.8 -10,-0.3 -10,-0.1 -0.162 42.9-100.8 -74.6 174.7 37.7 2.9 61.0 21 69 A D H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.844 120.7 57.2 -68.3 -32.6 39.8 5.7 62.4 22 70 A G H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.973 109.9 40.8 -61.4 -56.3 43.0 3.8 61.6 23 71 A C H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.843 112.5 57.2 -61.5 -35.9 42.3 3.4 57.9 24 72 A K H X S+ 0 0 59 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.942 111.2 41.2 -61.3 -49.3 41.0 7.0 57.7 25 73 A G H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.898 113.8 54.6 -65.3 -41.0 44.3 8.4 59.0 26 74 A F H X S+ 0 0 6 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.946 107.9 48.5 -56.7 -53.2 46.3 6.0 56.9 27 75 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.902 112.9 48.1 -56.1 -44.4 44.6 7.1 53.7 28 76 A R H X S+ 0 0 84 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.890 109.6 51.1 -66.5 -41.4 45.2 10.8 54.5 29 77 A R H X S+ 0 0 130 -4,-2.5 4,-1.8 2,-0.2 6,-0.3 0.952 113.6 46.7 -59.8 -48.7 48.8 10.4 55.4 30 78 A S H X>S+ 0 0 0 -4,-2.3 5,-1.9 -5,-0.2 4,-1.1 0.949 115.3 42.7 -57.7 -57.2 49.5 8.6 52.2 31 79 A V H ><5S+ 0 0 21 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.921 110.2 57.5 -58.6 -47.3 47.6 10.9 49.8 32 80 A R H 3<5S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.894 123.2 23.2 -51.1 -46.7 49.0 14.0 51.5 33 81 A K H 3<5S- 0 0 147 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.323 102.8-121.3-105.2 6.9 52.6 13.0 50.9 34 82 A N T <<5 - 0 0 107 -4,-1.1 -3,-0.2 -3,-0.6 -4,-0.1 0.891 38.7-152.0 54.0 40.6 52.1 10.7 48.0 35 83 A H < - 0 0 54 -5,-1.9 2,-0.7 -6,-0.3 -1,-0.2 -0.120 2.7-136.0 -47.3 131.8 53.7 8.0 50.1 36 84 A M + 0 0 134 -3,-0.1 2,-0.2 526,-0.1 350,-0.1 -0.848 30.5 172.9 -97.8 115.5 55.4 5.3 47.9 37 85 A Y - 0 0 13 -2,-0.7 2,-0.3 524,-0.2 526,-0.2 -0.692 11.7-164.8-114.1 170.8 54.7 1.8 49.1 38 86 A S - 0 0 48 -2,-0.2 19,-0.1 0, 0.0 18,-0.1 -0.878 15.3-130.4-162.7 125.9 55.6 -1.5 47.5 39 87 A C - 0 0 25 -2,-0.3 16,-0.1 1,-0.1 17,-0.0 -0.155 2.1-153.1 -69.0 166.4 54.4 -5.1 48.1 40 88 A R S S+ 0 0 107 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.053 79.9 33.3-127.0 18.9 56.8 -8.0 48.6 41 89 A F S S- 0 0 153 4,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.368 117.9 -45.5-142.4-139.2 54.4 -10.6 47.2 42 90 A S S S- 0 0 29 -2,-0.1 214,-0.2 215,-0.0 215,-0.1 0.046 74.1-106.8 -96.6 27.1 51.6 -10.9 44.6 43 91 A R S S+ 0 0 25 1,-0.1 -1,-0.0 212,-0.1 -4,-0.0 0.886 101.0 102.7 50.1 39.8 49.9 -7.6 45.5 44 92 A Q + 0 0 38 2,-0.1 -1,-0.1 207,-0.0 3,-0.1 0.086 42.9 154.4-136.1 18.9 47.2 -9.8 47.1 45 93 A C - 0 0 34 1,-0.1 2,-0.2 2,-0.0 10,-0.0 -0.217 50.7-110.1 -51.4 137.4 48.1 -9.5 50.8 46 94 A V - 0 0 86 1,-0.1 2,-0.5 8,-0.0 8,-0.2 -0.536 27.4-158.2 -73.6 137.2 45.0 -10.1 52.9 47 95 A V + 0 0 15 -2,-0.2 2,-0.2 -42,-0.1 5,-0.2 -0.734 31.6 143.9-121.4 82.9 43.8 -6.9 54.7 48 96 A D - 0 0 47 -2,-0.5 -41,-0.2 3,-0.5 -42,-0.1 -0.626 62.9 -86.8-111.7 174.0 41.7 -7.8 57.7 49 97 A K S > S+ 0 0 113 -43,-0.5 3,-0.6 -2,-0.2 -42,-0.1 0.894 120.6 36.1 -43.4 -61.3 41.3 -6.3 61.2 50 98 A D T 3 S+ 0 0 125 1,-0.2 2,-0.7 2,-0.1 3,-0.3 0.941 124.1 36.2 -65.6 -52.7 44.2 -8.0 63.0 51 99 A K T 3 S+ 0 0 78 1,-0.2 -3,-0.5 -45,-0.1 -1,-0.2 -0.510 77.5 118.4-103.9 66.1 46.9 -8.2 60.2 52 100 A R < + 0 0 59 -2,-0.7 3,-0.3 -3,-0.6 -1,-0.2 0.491 68.0 58.0-105.9 -7.6 46.3 -4.9 58.4 53 101 A N S S+ 0 0 54 -3,-0.3 329,-0.7 327,-0.2 3,-0.3 0.287 79.4 91.9-104.0 8.9 49.7 -3.3 58.9 54 102 A Q S S+ 0 0 88 1,-0.3 2,-0.2 327,-0.2 -1,-0.2 0.708 98.9 21.7 -74.3 -21.5 51.6 -6.1 57.3 55 103 A C > - 0 0 13 -3,-0.3 4,-1.0 1,-0.1 -1,-0.3 -0.743 56.9-172.3-151.5 97.7 51.5 -4.4 53.9 56 104 A R H > S+ 0 0 38 -3,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.860 89.4 60.2 -56.6 -35.1 51.0 -0.7 53.5 57 105 A Y H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.977 107.6 38.9 -56.9 -64.5 50.7 -1.3 49.7 58 106 A C H > S+ 0 0 6 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.612 113.3 61.6 -64.0 -10.9 47.7 -3.6 49.7 59 107 A R H X S+ 0 0 6 -4,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.938 107.0 40.7 -78.4 -51.1 46.3 -1.4 52.5 60 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.841 114.1 55.0 -64.3 -34.4 46.2 1.7 50.2 61 109 A K H X S+ 0 0 42 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.898 107.3 49.5 -65.1 -42.0 45.0 -0.5 47.4 62 110 A K H X S+ 0 0 63 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.919 106.6 56.3 -63.4 -45.0 42.1 -1.8 49.5 63 111 A C H <>S+ 0 0 0 -4,-2.2 5,-0.7 1,-0.2 3,-0.4 0.932 110.8 43.6 -52.5 -49.7 41.2 1.8 50.4 64 112 A F H <5S+ 0 0 29 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.866 107.3 58.8 -65.0 -36.8 40.9 2.7 46.8 65 113 A R H <5S+ 0 0 90 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.814 105.3 61.6 -61.7 -28.5 39.0 -0.5 46.1 66 114 A A T <5S- 0 0 16 -4,-1.8 -49,-0.1 -3,-0.4 -61,-0.0 -0.505 120.0 -86.9 -88.0 165.6 36.6 0.9 48.7 67 115 A G T 5S+ 0 0 38 -51,-0.2 -50,-0.2 -2,-0.2 -3,-0.1 0.642 81.6 137.3 -50.9 -15.0 34.9 4.2 47.9 68 116 A M < - 0 0 1 -5,-0.7 2,-0.4 -6,-0.1 -52,-0.2 -0.055 37.3-162.8 -41.9 117.2 37.8 6.1 49.3 69 117 A K >> - 0 0 122 -54,-3.3 3,-1.3 1,-0.1 4,-0.6 -0.891 23.2-148.7-109.0 134.1 38.7 9.0 47.0 70 118 A K T 34 S+ 0 0 75 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.672 99.7 69.1 -71.6 -14.9 41.9 10.9 47.1 71 119 A E T 34 S+ 0 0 142 1,-0.2 -1,-0.3 -56,-0.1 -56,-0.0 0.725 90.2 62.2 -73.2 -23.1 39.9 13.9 45.9 72 120 A A T <4 S+ 0 0 38 -3,-1.3 2,-0.8 -57,-0.3 -1,-0.2 0.829 84.6 83.1 -71.9 -34.0 38.3 13.9 49.4 73 121 A V S < S- 0 0 18 -4,-0.6 2,-0.2 -3,-0.2 -1,-0.0 -0.641 72.4-168.4 -75.1 111.0 41.6 14.6 51.1 74 122 A Q + 0 0 160 -2,-0.8 -2,-0.1 1,-0.0 -42,-0.0 -0.648 32.6 139.3-103.8 159.6 42.0 18.3 50.8 75 123 A N 0 0 120 -2,-0.2 -2,-0.0 -43,-0.0 -1,-0.0 0.058 360.0 360.0 166.2 65.0 44.9 20.7 51.4 76 124 A E 0 0 233 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.350 360.0 360.0 66.7 360.0 45.3 23.5 48.9 77 ! 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 78 143 A I 0 0 102 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -24.0 26.9 -5.6 39.3 79 144 A N + 0 0 106 1,-0.2 4,-0.2 2,-0.1 0, 0.0 -0.193 360.0 98.8-105.8 41.4 26.1 -9.3 39.5 80 145 A A S >> S+ 0 0 44 2,-0.1 3,-1.1 1,-0.1 4,-0.9 0.815 74.2 61.0 -91.6 -36.5 22.9 -9.2 37.5 81 146 A L H 3> S+ 0 0 20 -3,-0.3 4,-1.7 1,-0.3 5,-0.1 0.771 92.3 66.9 -61.7 -28.1 24.5 -10.4 34.3 82 147 A L H 3> S+ 0 0 53 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.839 104.9 43.3 -63.5 -31.7 25.5 -13.7 35.9 83 148 A Q H <4 S+ 0 0 133 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.668 105.5 64.5 -85.6 -18.5 21.8 -14.6 36.2 84 149 A A H >X S+ 0 0 1 -4,-0.9 4,-2.9 1,-0.2 3,-1.4 0.883 99.2 52.4 -70.7 -39.4 21.1 -13.3 32.6 85 150 A E H 3X S+ 0 0 24 -4,-1.7 4,-0.7 1,-0.3 -2,-0.2 0.947 109.3 48.7 -60.5 -49.3 23.3 -16.0 31.1 86 151 A V H 3< S+ 0 0 83 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.120 121.2 37.2 -79.4 22.4 21.5 -18.8 33.0 87 152 A L H <4 S+ 0 0 42 -3,-1.4 3,-0.4 2,-0.0 -2,-0.2 0.533 99.6 67.0-138.2 -38.5 18.1 -17.4 31.8 88 153 A S H < S+ 0 0 1 -4,-2.9 3,-0.2 1,-0.2 38,-0.2 0.704 108.9 43.6 -63.3 -20.6 18.5 -16.1 28.3 89 154 A R S >< S+ 0 0 118 -4,-0.7 3,-2.3 -5,-0.2 -1,-0.2 0.630 86.8 87.3 -99.2 -18.3 19.0 -19.7 27.1 90 155 A Q T 3 S+ 0 0 140 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.517 90.1 55.0 -60.4 -1.8 16.3 -21.4 29.1 91 156 A I T 3 S+ 0 0 99 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.495 94.4 77.4-109.3 -7.8 14.0 -20.5 26.2 92 157 A T S < S- 0 0 64 -3,-2.3 -3,-0.1 1,-0.1 28,-0.0 0.231 97.6 -61.8 -80.6-151.4 15.9 -22.1 23.4 93 158 A S - 0 0 81 79,-0.2 2,-1.0 1,-0.0 -1,-0.1 -0.874 51.4-106.3-105.8 129.9 16.0 -25.8 22.5 94 159 A P - 0 0 130 0, 0.0 2,-0.2 0, 0.0 -4,-0.0 -0.297 45.1-165.6 -53.7 91.0 17.4 -28.4 25.0 95 160 A V - 0 0 59 -2,-1.0 3,-0.2 1,-0.1 4,-0.1 -0.521 24.8-126.8 -81.8 149.1 20.7 -29.2 23.3 96 161 A S > + 0 0 44 -2,-0.2 3,-1.5 1,-0.2 2,-0.3 0.971 53.1 149.2 -58.2 -57.4 22.8 -32.3 24.3 97 162 A G T 3 S+ 0 0 13 1,-0.3 -1,-0.2 2,-0.2 74,-0.0 -0.419 79.0 0.9 62.2-119.4 26.0 -30.4 25.0 98 163 A I T 3 S+ 0 0 140 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.258 135.6 59.7 -84.6 12.6 27.9 -32.1 27.7 99 164 A N S < S+ 0 0 140 -3,-1.5 2,-0.4 1,-0.1 -2,-0.2 0.795 93.6 62.4-104.0 -48.1 25.2 -34.7 27.9 100 165 A G S S- 0 0 22 1,-0.1 -1,-0.1 2,-0.0 5,-0.1 -0.689 99.0-104.5 -83.0 131.0 25.2 -36.1 24.4 101 166 A D >> - 0 0 77 -2,-0.4 3,-2.3 1,-0.1 4,-0.7 -0.306 20.5-131.5 -58.5 129.6 28.5 -37.8 23.5 102 167 A I G >4 S+ 0 0 42 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.820 109.3 57.8 -49.5 -36.7 30.6 -35.7 21.1 103 168 A R G 34 S+ 0 0 212 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.723 100.9 57.8 -68.1 -21.5 31.1 -38.7 18.9 104 169 A A G <4 S+ 0 0 76 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.620 87.3 99.8 -82.9 -15.2 27.3 -39.0 18.6 105 170 A K S << S- 0 0 17 -3,-1.0 2,-0.2 -4,-0.7 70,-0.1 -0.452 70.9-127.3 -76.5 145.3 27.0 -35.4 17.2 106 171 A K - 0 0 140 -2,-0.1 70,-1.9 1,-0.1 -1,-0.1 -0.568 27.1 -98.9 -91.8 154.5 26.7 -34.9 13.4 107 172 A I B -c 176 0C 71 -2,-0.2 2,-0.3 68,-0.2 70,-0.2 -0.354 40.9-117.0 -69.2 151.4 28.9 -32.6 11.2 108 173 A A - 0 0 1 68,-1.8 2,-0.3 67,-0.0 -1,-0.1 -0.693 19.2-151.0 -95.6 144.5 27.5 -29.1 10.4 109 174 A S >> - 0 0 51 -2,-0.3 3,-2.3 1,-0.1 4,-2.0 -0.768 37.3-100.2-107.4 155.5 26.6 -27.8 7.0 110 175 A I H 3> S+ 0 0 46 1,-0.3 4,-2.2 -2,-0.3 5,-0.2 0.848 127.4 52.6 -40.8 -42.4 26.8 -24.2 6.0 111 176 A A H 3> S+ 0 0 58 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.788 105.9 53.5 -66.9 -29.1 23.0 -24.1 6.4 112 177 A D H <> S+ 0 0 30 -3,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.898 108.4 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72.5 -58.8 -16.2 90.2 38.4 7.9 1119 253 F S H <> S+ 0 0 16 -3,-0.7 4,-3.2 1,-0.2 -1,-0.3 0.821 82.6 67.5 -67.1 -31.5 89.3 40.7 10.7 1120 254 F R H <> S+ 0 0 154 -3,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.867 104.6 43.4 -55.9 -38.9 87.3 37.9 12.3 1121 255 F V H S+ 0 0 9 -4,-3.0 5,-2.6 1,-0.2 4,-2.2 0.946 114.3 44.3 -56.3 -54.4 93.5 36.6 18.3 1126 260 F L H <>S+ 0 0 6 -4,-2.3 5,-2.1 3,-0.2 -1,-0.2 0.908 121.4 39.9 -58.1 -44.8 93.3 39.8 20.3 1127 261 F D H <5S+ 0 0 69 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.815 127.7 28.6 -77.1 -33.5 90.3 38.6 22.4 1128 262 F E H <5S+ 0 0 23 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.494 136.2 16.7-109.0 -5.3 91.4 35.0 23.0 1129 263 F L T X5S+ 0 0 4 -4,-2.2 4,-2.0 -5,-0.4 -3,-0.2 0.621 122.1 47.0-129.8 -53.5 95.2 35.1 22.9 1130 264 F V H > S+ 0 0 12 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.920 109.3 51.7 -52.4 -47.8 95.3 36.3 28.1 1133 267 F F H X>S+ 0 0 2 -4,-2.0 4,-1.7 1,-0.2 5,-1.5 0.854 113.6 44.6 -57.6 -37.5 99.0 37.0 27.6 1134 268 F Q H <5S+ 0 0 41 -4,-2.0 -1,-0.2 -3,-0.3 -3,-0.2 0.906 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0.0 -1,-0.1 0, 0.0 5,-0.1 0.686 90.4 64.1 -57.3 -19.7 104.6 13.3 19.3 1155 289 F D T 3 S+ 0 0 40 10,-0.1 3,-0.1 2,-0.1 -343,-0.1 0.370 75.0 134.4 -87.1 5.8 101.3 13.0 17.3 1156 290 F A X - 0 0 10 -3,-2.3 3,-1.1 1,-0.1 2,-0.4 -0.291 64.4-108.8 -58.9 136.1 102.9 14.7 14.3 1157 291 F K T 3 S+ 0 0 192 1,-0.2 -1,-0.1 -82,-0.2 -78,-0.1 -0.520 99.1 20.9 -72.2 122.5 102.2 12.9 11.0 1158 292 F G T 3 S+ 0 0 58 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.633 80.4 159.0 97.6 16.3 105.3 11.1 9.6 1159 293 F L < - 0 0 23 -3,-1.1 -1,-0.3 1,-0.1 -87,-0.1 -0.542 31.4-160.8 -77.3 136.0 107.4 10.8 12.8 1160 294 F S S S+ 0 0 88 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.891 90.1 23.7 -78.8 -43.5 110.1 8.1 12.8 1161 295 F D > + 0 0 66 1,-0.1 4,-1.4 2,-0.1 -1,-0.3 -0.765 63.4 170.9-127.9 86.1 110.3 8.0 16.6 1162 296 F P H > S+ 0 0 63 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.892 80.8 56.0 -59.9 -40.4 107.1 9.3 18.3 1163 297 F G H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.942 101.5 53.4 -58.0 -52.8 108.5 8.2 21.7 1164 298 F K H > S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.891 112.9 47.6 -49.9 -41.3 111.7 10.2 21.6 1165 299 F I H X S+ 0 0 1 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.928 108.4 51.1 -67.5 -47.9 109.5 13.2 20.8 1166 300 F K H X S+ 0 0 50 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.900 109.7 52.3 -57.8 -40.0 107.0 12.6 23.6 1167 301 F R H X S+ 0 0 163 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.901 109.0 50.4 -62.0 -40.7 109.9 12.3 26.0 1168 302 F L H X S+ 0 0 29 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.946 111.8 46.8 -61.5 -49.5 111.2 15.6 24.8 1169 303 F R H X S+ 0 0 18 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.889 109.7 53.3 -60.3 -42.4 107.9 17.3 25.3 1170 304 F S H X S+ 0 0 29 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.884 109.0 51.1 -60.2 -38.9 107.4 15.9 28.7 1171 305 F Q H X S+ 0 0 94 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.918 111.8 44.5 -65.1 -47.3 110.8 17.3 29.7 1172 306 F V H X S+ 0 0 6 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.877 113.2 51.2 -67.5 -38.4 110.1 20.8 28.5 1173 307 F Q H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.905 108.3 50.6 -67.2 -42.4 106.6 20.9 30.1 1174 308 F V H X S+ 0 0 19 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.903 109.1 51.9 -62.0 -40.6 107.9 19.8 33.5 1175 309 F S H X S+ 0 0 31 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.848 107.4 54.0 -63.2 -34.0 110.5 22.5 33.4 1176 310 F L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.920 109.2 46.9 -66.5 -43.5 107.7 24.9 32.6 1177 311 F E H X S+ 0 0 25 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.939 114.8 46.4 -63.0 -47.1 105.8 23.8 35.7 1178 312 F D H X S+ 0 0 25 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.938 111.0 53.1 -59.4 -48.7 108.9 24.1 37.8 1179 313 F Y H >< S+ 0 0 31 -4,-2.9 3,-0.9 1,-0.2 4,-0.3 0.939 111.3 45.3 -51.7 -53.7 109.8 27.5 36.4 1180 314 F I H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.863 111.4 53.2 -60.2 -38.0 106.4 28.9 37.2 1181 315 F N H 3< S+ 0 0 14 -4,-2.2 3,-0.4 1,-0.2 -1,-0.3 0.659 88.5 79.3 -73.5 -15.6 106.4 27.3 40.7 1182 316 F D T << S+ 0 0 58 -4,-1.3 2,-0.4 -3,-0.9 -1,-0.2 0.697 95.0 50.4 -64.9 -18.3 109.8 29.0 41.4 1183 317 F R S X S- 0 0 89 -3,-1.1 3,-1.0 -4,-0.3 -1,-0.3 -0.722 72.3-178.3-122.5 78.8 107.8 32.2 42.1 1184 318 F Q T 3 + 0 0 9 -2,-0.4 3,-0.3 -3,-0.4 4,-0.2 0.506 65.0 83.6 -55.0 -10.9 105.1 31.1 44.5 1185 319 F Y T 3 S+ 0 0 17 1,-0.2 -1,-0.3 2,-0.1 -501,-0.1 0.288 114.3 6.1 -83.5 14.4 103.5 34.5 44.7 1186 320 F D S < S+ 0 0 87 -3,-1.0 -1,-0.2 -6,-0.2 -2,-0.2 0.203 96.4 104.5-178.0 25.0 101.4 34.0 41.5 1187 321 F S >> + 0 0 15 -3,-0.3 3,-0.9 -4,-0.1 4,-0.7 0.472 46.1 117.9 -95.3 -3.7 101.9 30.4 40.3 1188 322 F R T 34 S- 0 0 91 1,-0.3 -330,-0.1 -4,-0.2 -513,-0.0 -0.527 99.2 -15.4 -69.5 114.5 98.5 29.2 41.5 1189 323 F G T 3> S+ 0 0 2 -2,-0.6 4,-1.8 -331,-0.1 -1,-0.3 0.496 107.2 114.4 71.1 3.5 96.6 28.0 38.5 1190 324 F R H <> S+ 0 0 22 -3,-0.9 4,-1.9 2,-0.2 5,-0.1 0.933 71.9 50.6 -70.8 -48.3 99.1 29.8 36.2 1191 325 F F H X S+ 0 0 2 -4,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.906 113.5 48.2 -56.3 -42.1 100.6 26.7 34.6 1192 326 F G H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.893 107.1 53.9 -67.4 -40.3 97.1 25.5 33.8 1193 327 F E H < S+ 0 0 28 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 108.7 52.0 -64.4 -30.9 95.9 28.8 32.3 1194 328 F L H >< S+ 0 0 2 -4,-1.9 3,-1.9 1,-0.2 4,-0.4 0.968 109.1 45.9 -69.1 -54.7 98.9 28.7 29.9 1195 329 F L H >< S+ 0 0 3 -4,-1.9 3,-1.1 1,-0.3 -2,-0.2 0.770 101.9 67.5 -60.4 -27.6 98.3 25.2 28.6 1196 330 F L T 3< S+ 0 0 3 -4,-1.6 4,-0.4 1,-0.2 -1,-0.3 0.493 89.4 66.6 -73.4 -0.4 94.6 25.9 28.1 1197 331 F L T <> S+ 0 0 12 -3,-1.9 4,-3.7 2,-0.1 -1,-0.2 0.747 83.7 75.1 -87.7 -26.3 95.5 28.4 25.4 1198 332 F L H <> S+ 0 0 16 -3,-1.1 4,-2.8 -4,-0.4 5,-0.2 0.886 94.0 47.4 -53.2 -49.3 96.8 25.7 23.1 1199 333 F P H > S+ 0 0 21 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.889 116.3 47.7 -62.7 -34.2 93.4 24.4 22.1 1200 334 F T H > S+ 0 0 9 -4,-0.4 4,-2.4 2,-0.2 5,-0.3 0.966 110.9 49.5 -66.8 -53.8 92.5 28.0 21.4 1201 335 F L H X S+ 0 0 4 -4,-3.7 4,-2.3 1,-0.2 -3,-0.2 0.926 112.2 48.0 -50.1 -52.2 95.6 28.7 19.5 1202 336 F Q H X S+ 0 0 38 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.867 110.0 54.2 -58.7 -38.3 95.1 25.7 17.3 1203 337 F S H X S+ 0 0 33 -4,-1.7 4,-1.5 -5,-0.2 3,-0.4 0.942 110.3 43.6 -62.8 -50.4 91.5 26.6 16.7 1204 338 F I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.870 107.9 60.3 -64.5 -36.9 92.3 30.1 15.5 1205 339 F T H X S+ 0 0 4 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.865 102.6 54.5 -57.6 -36.3 95.1 28.7 13.4 1206 340 F W H X S+ 0 0 102 -4,-1.4 4,-1.9 -3,-0.4 -2,-0.2 0.967 107.7 46.3 -62.0 -55.6 92.5 26.6 11.6 1207 341 F Q H X S+ 0 0 52 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.890 111.1 53.6 -54.8 -43.2 90.3 29.5 10.6 1208 342 F M H X S+ 0 0 14 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.921 110.5 46.3 -58.6 -44.9 93.3 31.5 9.4 1209 343 F I H X S+ 0 0 41 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.777 108.1 58.2 -69.0 -25.2 94.3 28.6 7.2 1210 344 F E H >X S+ 0 0 79 -4,-1.9 4,-1.1 2,-0.2 3,-0.5 0.930 107.6 46.3 -69.4 -44.0 90.7 28.4 6.0 1211 345 F Q H >X S+ 0 0 29 -4,-2.3 4,-2.4 1,-0.2 3,-1.3 0.976 105.2 58.3 -59.5 -59.0 90.9 32.0 4.8 1212 346 F I H 3X S+ 0 0 9 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.725 102.0 59.1 -44.3 -25.4 94.2 31.6 3.1 1213 347 F Q H S+ 0 0 9 -4,-2.4 4,-0.9 1,-0.2 5,-0.7 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-2,-0.2 -5,-0.2 -1,-0.2 0.810 127.4 20.7-101.4 -38.8 104.3 24.0 1.7 1230 364 F M H <5S+ 0 0 6 -4,-2.3 -149,-0.3 -5,-0.2 -148,-0.3 0.804 137.6 23.2-100.4 -37.5 104.1 24.6 5.5 1231 365 F L T <5S+ 0 0 13 -4,-2.3 2,-1.0 -5,-0.4 -3,-0.2 0.917 116.9 53.2 -92.7 -63.1 100.6 26.0 6.0 1232 366 F L S > + 0 0 75 -943,-0.1 4,-1.1 -942,-0.1 3,-0.7 0.384 360.0 76.5-139.4 -14.3 12.4 -6.5 13.8 1238 690 I L H 3> S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.847 84.8 65.8 -70.0 -34.9 14.5 -5.8 16.9 1239 691 I H H 3> S+ 0 0 76 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.719 104.0 47.7 -60.1 -20.9 12.2 -3.0 18.0 1240 692 I R H <4 S+ 0 0 202 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.819 108.5 51.5 -87.5 -36.6 9.5 -5.7 18.5 1241 693 I L H < S+ 0 0 45 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.697 111.8 50.5 -72.8 -19.8 11.8 -8.1 20.4 1242 694 I L H < 0 0 17 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.905 360.0 360.0 -83.8 -47.9 12.7 -5.2 22.7 1243 695 I Q < 0 0 197 -4,-1.2 -1,-0.1 -5,-0.2 0, 0.0 -0.544 360.0 360.0-156.9 360.0 9.2 -3.9 23.6 1244 !* 0 0 0 0, 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360.0 360.0 0.0 0.0 0.0 1265 688 L K 0 0 154 0, 0.0 4,-0.4 0, 0.0 -39,-0.1 0.000 360.0 360.0 360.0-102.1 110.6 21.6 -1.5 1266 689 L I >> + 0 0 28 1,-0.2 4,-2.0 2,-0.2 3,-1.0 0.856 360.0 60.3 -77.7 -37.3 111.9 24.8 0.1 1267 690 L L T 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 4,-0.0 0.860 100.5 55.0 -58.7 -38.2 112.3 23.3 3.6 1268 691 L H T 34 S+ 0 0 67 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.720 109.4 48.6 -68.6 -20.8 114.8 20.7 2.2 1269 692 L R T X4 S+ 0 0 152 -3,-1.0 3,-0.6 -4,-0.4 -2,-0.2 0.836 114.5 43.1 -85.3 -37.3 116.8 23.6 0.8 1270 693 L L T 3< S+ 0 0 40 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.151 115.6 51.2 -93.9 17.2 116.8 25.6 4.1 1271 694 L L T 3 0 0 16 -3,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.017 360.0 360.0-142.1 29.7 117.5 22.5 6.2 1272 695 L Q < 0 0 188 -3,-0.6 -2,-0.1 -5,-0.0 -3,-0.1 0.367 360.0 360.0-127.0 360.0 120.5 21.0 4.4