==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 05-NOV-10 3PI4 . COMPND 2 MOLECULE: HEMOGLOBIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: PHACOIDES PECTINATUS; . AUTHOR J.A.GAVIRA,C.A.NIEVES-MARRERO,C.R.RUIZ-MARTINEZ,R.A.ESTREMER . 302 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 82.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 0 0 0 0 0 0 0 0 0 2 1 0 5 1 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 1 A T 0 0 30 0, 0.0 137,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -34.5 12.7 -10.0 -23.5 2 2 A T + 0 0 122 1,-0.3 2,-0.3 136,-0.0 133,-0.1 0.431 360.0 144.3 71.3 2.0 16.1 -8.6 -24.7 3 3 A L - 0 0 11 77,-0.1 -1,-0.3 4,-0.1 2,-0.1 -0.550 45.6-136.7 -73.1 130.1 14.0 -6.6 -27.1 4 4 A T > - 0 0 74 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.318 29.6 -99.7 -77.7 166.8 15.3 -3.1 -27.8 5 5 A N H > S+ 0 0 115 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.885 124.7 48.7 -57.9 -44.2 12.9 -0.1 -27.9 6 6 A P H > S+ 0 0 93 0, 0.0 4,-3.7 0, 0.0 -1,-0.2 0.972 112.5 49.9 -54.7 -53.4 12.8 -0.1 -31.7 7 7 A Q H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.862 109.6 51.0 -53.1 -40.9 12.1 -3.8 -31.7 8 8 A K H X S+ 0 0 21 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.959 112.9 44.8 -66.8 -46.4 9.4 -3.3 -29.2 9 9 A A H X S+ 0 0 43 -4,-2.7 4,-4.6 1,-0.2 5,-0.2 0.946 108.4 59.1 -60.1 -48.1 7.8 -0.7 -31.3 10 10 A A H X S+ 0 0 12 -4,-3.7 4,-3.2 2,-0.2 115,-0.3 0.897 110.4 40.7 -40.7 -54.3 8.3 -2.9 -34.4 11 11 A I H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.4 0.955 115.0 53.2 -63.5 -49.8 6.2 -5.7 -32.8 12 12 A R H X S+ 0 0 90 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.942 115.1 41.0 -48.0 -51.7 3.7 -3.0 -31.5 13 13 A S H X S+ 0 0 42 -4,-4.6 4,-1.4 2,-0.2 -2,-0.2 0.984 115.2 48.4 -64.7 -56.4 3.4 -1.7 -35.0 14 14 A S H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.3 3,-0.2 0.847 113.6 47.4 -55.8 -38.4 3.3 -5.0 -36.9 15 15 A W H X S+ 0 0 7 -4,-3.3 4,-3.3 1,-0.2 -1,-0.3 0.920 103.9 62.1 -67.4 -37.8 0.7 -6.4 -34.5 16 16 A S H < S+ 0 0 64 -4,-2.0 4,-0.2 -5,-0.4 -1,-0.2 0.838 106.7 47.3 -54.5 -32.2 -1.3 -3.1 -34.9 17 17 A K H >X S+ 0 0 72 -4,-1.4 3,-3.0 -3,-0.2 4,-0.7 0.978 108.7 49.4 -74.9 -59.0 -1.5 -4.2 -38.5 18 18 A F H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.3 7,-0.3 0.896 111.2 56.9 -41.2 -39.9 -2.6 -7.8 -38.0 19 19 A M G >< S+ 0 0 61 -4,-3.3 3,-1.2 1,-0.2 -1,-0.3 0.606 84.5 77.8 -75.4 -13.5 -5.1 -6.1 -35.7 20 20 A D G <4 S+ 0 0 113 -3,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.893 119.7 14.2 -62.3 -34.4 -6.6 -3.9 -38.4 21 21 A N G + 0 0 6 -3,-1.2 4,-3.1 1,-0.2 5,-0.2 0.891 66.2 46.9 -62.9 -45.3 -7.9 -9.0 -36.6 23 23 A V H > S+ 0 0 36 2,-0.2 4,-2.0 -4,-0.2 5,-0.2 0.971 113.8 46.4 -67.3 -45.8 -10.6 -11.5 -36.9 24 24 A S H >> S+ 0 0 64 1,-0.2 4,-3.1 2,-0.2 3,-0.7 0.976 117.4 45.7 -52.4 -56.7 -10.0 -12.3 -40.5 25 25 A N H 3X S+ 0 0 10 -4,-2.3 4,-3.4 -7,-0.3 5,-0.2 0.886 105.5 60.7 -51.5 -47.0 -6.3 -12.5 -39.8 26 26 A G H 3X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.3 0.911 113.4 36.8 -48.4 -45.6 -6.9 -14.6 -36.8 27 27 A Q H < S- 0 0 55 -4,-3.2 3,-1.5 -5,-0.2 4,-0.3 -0.833 71.6-168.3-126.2 90.7 0.5 -28.8 -39.1 38 38 A P G > S+ 0 0 89 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.845 75.3 73.6 -44.5 -48.9 -2.8 -30.7 -39.1 39 39 A E G > S+ 0 0 95 1,-0.3 3,-1.9 2,-0.2 -5,-0.1 0.683 80.9 73.2 -46.3 -29.9 -2.5 -32.2 -35.6 40 40 A T G < S+ 0 0 17 -3,-1.5 4,-0.5 1,-0.3 -1,-0.3 0.919 82.0 69.0 -52.1 -48.3 -3.3 -28.8 -34.0 41 41 A L G X> S+ 0 0 32 -3,-1.8 3,-1.1 -4,-0.3 4,-0.5 0.690 80.9 84.1 -42.6 -24.4 -7.0 -29.1 -35.0 42 42 A T G X4 S+ 0 0 99 -3,-1.9 3,-2.1 -4,-0.3 -1,-0.2 0.930 88.5 43.9 -53.9 -58.9 -7.3 -32.0 -32.4 43 43 A P G 34 S+ 0 0 50 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.633 109.5 62.3 -65.9 -7.9 -7.9 -29.9 -29.2 44 44 A F G X> S+ 0 0 38 -3,-1.1 4,-3.2 -4,-0.5 3,-1.5 0.546 71.6 99.3 -88.0 -10.3 -10.3 -27.8 -31.3 45 45 A K H < S+ 0 0 1 -4,-3.2 3,-1.1 1,-0.2 -3,-0.2 0.183 92.5 103.5 -92.7 15.3 -14.5 -26.9 -34.6 49 49 A G T 3< S+ 0 0 40 -4,-0.8 -1,-0.2 -5,-0.5 -4,-0.1 0.695 81.4 45.6 -79.3 -18.1 -15.4 -30.6 -34.5 50 50 A G T 3 S+ 0 0 78 -3,-0.5 2,-0.3 -4,-0.1 -1,-0.3 0.276 107.8 75.4-102.5 7.8 -18.7 -30.2 -36.4 51 51 A L < - 0 0 33 -3,-1.1 2,-0.3 -6,-0.1 -4,-0.0 -0.930 69.2-141.6-125.1 142.9 -17.0 -28.0 -39.0 52 52 A T >> - 0 0 82 -2,-0.3 3,-2.5 1,-0.1 4,-0.8 -0.754 38.6-101.0-101.1 152.6 -14.6 -28.7 -41.9 53 53 A L H >> S+ 0 0 63 -2,-0.3 3,-1.3 1,-0.3 4,-1.1 0.813 120.8 58.4 -42.5 -47.3 -11.8 -26.3 -42.6 54 54 A A H 34 S+ 0 0 87 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.831 108.4 48.1 -52.0 -33.8 -13.6 -24.7 -45.5 55 55 A Q H <4 S+ 0 0 94 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.541 94.9 69.7 -89.8 -16.9 -16.5 -23.7 -43.2 56 56 A L H X< S+ 0 0 2 -3,-1.3 3,-3.6 -4,-0.8 6,-0.2 0.894 72.6 101.6 -65.7 -42.1 -14.6 -22.2 -40.3 57 57 A Q T 3< S- 0 0 78 -4,-1.1 -33,-0.1 1,-0.3 5,-0.0 -0.209 105.7 -6.1 -52.6 126.7 -13.6 -19.3 -42.3 58 58 A D T 3 S+ 0 0 94 1,-0.2 -1,-0.3 -35,-0.1 -2,-0.1 0.625 98.7 140.4 61.4 20.7 -16.0 -16.6 -41.2 59 59 A N <> - 0 0 35 -3,-3.6 4,-3.4 1,-0.1 3,-0.4 -0.738 62.0-121.1 -86.6 139.1 -17.9 -19.0 -39.0 60 60 A P H > S+ 0 0 30 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.896 113.4 50.7 -43.0 -51.7 -19.1 -17.5 -35.6 61 61 A K H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.891 115.2 43.2 -56.7 -38.5 -17.2 -20.3 -33.6 62 62 A M H > S+ 0 0 0 -3,-0.4 4,-2.6 -6,-0.2 -1,-0.2 0.930 114.1 49.6 -75.6 -43.0 -14.1 -19.5 -35.6 63 63 A K H X S+ 0 0 58 -4,-3.4 4,-2.0 2,-0.2 -2,-0.2 0.880 109.4 53.5 -61.0 -42.5 -14.5 -15.8 -35.3 64 64 A A H >X S+ 0 0 0 -4,-3.4 4,-2.1 -5,-0.2 3,-1.2 0.993 110.7 46.2 -51.1 -69.1 -15.0 -16.1 -31.6 65 65 A Q H 3X S+ 0 0 19 -4,-2.0 4,-3.0 1,-0.3 5,-0.2 0.813 109.9 53.2 -41.4 -50.1 -11.8 -18.0 -31.3 66 66 A S H 3X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.3 0.851 108.9 49.2 -61.6 -36.8 -9.8 -15.6 -33.5 67 67 A L H < S+ 0 0 5 -4,-1.8 3,-2.2 -5,-0.3 -2,-0.2 0.975 114.3 47.3 -52.8 -59.3 1.2 -9.7 -24.8 77 77 A V H >< S+ 0 0 1 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.844 107.6 57.5 -52.1 -38.1 2.2 -7.0 -27.3 78 78 A D H 3< S+ 0 0 104 -4,-3.1 -1,-0.3 -5,-0.3 3,-0.2 0.581 107.0 48.8 -72.5 -6.9 0.8 -4.3 -25.1 79 79 A H T X< + 0 0 28 -3,-2.2 3,-0.7 -4,-0.6 7,-0.4 -0.158 64.5 121.9-129.6 34.9 3.0 -5.2 -22.2 80 80 A L T < S+ 0 0 0 -3,-1.2 3,-0.3 1,-0.2 -1,-0.1 0.843 88.7 41.2 -61.0 -33.1 6.3 -5.4 -23.9 81 81 A D T 3 S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.341 111.8 59.2 -98.5 7.6 7.3 -2.8 -21.3 82 82 A D X> + 0 0 39 -3,-0.7 4,-3.6 1,-0.1 3,-0.6 -0.524 59.2 163.2-130.2 66.1 5.5 -4.5 -18.5 83 83 A N H 3> S+ 0 0 50 -3,-0.3 4,-3.5 1,-0.3 5,-0.5 0.852 70.5 65.2 -57.7 -35.4 7.0 -7.9 -18.3 84 84 A D H 3> S+ 0 0 108 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.971 114.3 32.4 -56.4 -47.9 5.7 -8.6 -15.0 85 85 A M H <> S+ 0 0 7 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.952 118.1 56.3 -69.2 -44.6 2.2 -8.5 -16.4 86 86 A L H X S+ 0 0 0 -4,-3.6 4,-2.6 -7,-0.4 5,-0.2 0.951 107.7 46.9 -49.5 -57.7 3.4 -9.9 -19.7 87 87 A V H X S+ 0 0 37 -4,-3.5 4,-3.2 1,-0.2 -1,-0.2 0.891 111.4 52.0 -55.7 -41.0 4.9 -13.0 -18.1 88 88 A V H X S+ 0 0 14 -4,-1.7 4,-4.2 -5,-0.5 -1,-0.2 0.969 109.5 49.6 -58.4 -51.9 1.8 -13.5 -16.1 89 89 A L H X S+ 0 0 9 -4,-2.7 4,-3.2 2,-0.2 -2,-0.2 0.912 113.1 46.8 -51.3 -51.0 -0.4 -13.3 -19.2 90 90 A I H X S+ 0 0 0 -4,-2.6 4,-3.7 2,-0.2 -1,-0.2 0.969 116.1 44.2 -53.3 -57.1 1.9 -15.8 -21.0 91 91 A Q H X S+ 0 0 61 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.923 112.5 53.0 -54.5 -47.3 1.8 -18.1 -18.0 92 92 A K H X S+ 0 0 27 -4,-4.2 4,-1.2 1,-0.2 -1,-0.2 0.920 112.6 44.1 -52.5 -53.2 -1.9 -17.6 -17.7 93 93 A M H >X S+ 0 0 24 -4,-3.2 4,-2.0 1,-0.2 3,-0.8 0.955 109.6 58.0 -51.6 -53.7 -2.3 -18.6 -21.3 94 94 A A H 3X S+ 0 0 0 -4,-3.7 4,-1.0 1,-0.3 -2,-0.2 0.805 101.1 56.2 -52.5 -38.3 0.1 -21.5 -20.7 95 95 A K H 3X S+ 0 0 48 -4,-2.2 4,-1.8 -3,-0.2 -1,-0.3 0.905 109.7 44.5 -58.6 -45.5 -2.1 -23.0 -18.0 96 96 A L H S+ 0 0 59 -4,-2.0 5,-1.9 1,-0.2 -1,-0.2 0.743 109.2 60.5 -62.8 -18.8 -3.4 -24.6 -23.2 98 98 A N H ><5S+ 0 0 33 -4,-1.0 3,-2.8 -5,-0.3 -1,-0.2 0.950 96.7 55.5 -71.6 -48.9 -1.8 -27.0 -20.8 99 99 A N H 3<5S+ 0 0 124 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.656 106.5 53.8 -54.9 -19.5 -5.1 -28.5 -19.6 100 100 A R T 3<5S- 0 0 93 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.251 118.2-114.7-103.5 10.0 -5.8 -29.3 -23.3 101 101 A G T < 5 + 0 0 62 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.522 59.7 156.2 74.0 6.9 -2.5 -31.1 -23.6 102 102 A I < - 0 0 27 -5,-1.9 -1,-0.2 1,-0.1 2,-0.2 -0.451 38.9-129.7 -62.6 134.6 -0.9 -28.6 -26.0 103 103 A R >> - 0 0 39 -2,-0.1 3,-0.6 1,-0.1 4,-0.5 -0.524 12.8-119.2 -86.0 157.4 2.9 -28.9 -25.8 104 104 A A H >> S+ 0 0 29 1,-0.3 4,-1.9 2,-0.2 3,-0.8 0.859 119.8 48.5 -60.7 -38.7 5.1 -25.8 -25.4 105 105 A S H 3> S+ 0 0 89 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.516 100.8 67.1 -79.6 -9.1 6.8 -26.6 -28.8 106 106 A D H <> S+ 0 0 51 -3,-0.6 4,-0.6 2,-0.2 -1,-0.2 0.644 107.2 39.7 -76.0 -21.4 3.3 -27.0 -30.1 107 107 A L H S+ 0 0 0 -4,-3.1 5,-2.6 2,-0.2 6,-0.8 0.844 114.1 48.7 -63.3 -36.0 2.1 -11.8 -40.6 119 119 A E H ><5S+ 0 0 87 -4,-3.0 3,-2.5 3,-0.2 -2,-0.2 0.965 109.4 53.1 -63.7 -51.3 5.1 -11.6 -42.9 120 120 A D H 3<5S+ 0 0 108 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.762 111.4 46.5 -55.1 -31.5 3.0 -13.0 -45.8 121 121 A H T 3<5S- 0 0 88 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.236 115.3-115.1-100.7 14.1 0.4 -10.4 -45.2 122 122 A N T < 5S+ 0 0 141 -3,-2.5 -3,-0.2 -5,-0.1 -2,-0.1 0.940 75.7 129.2 54.3 53.1 3.0 -7.5 -45.0 123 123 A H < + 0 0 19 -5,-2.6 2,-0.3 2,-0.1 -106,-0.2 0.684 44.9 96.7 -99.5 -33.4 2.3 -6.6 -41.4 124 124 A M - 0 0 31 -6,-0.8 3,-0.1 -9,-0.2 2,-0.1 -0.442 62.0-162.7 -56.0 113.0 6.0 -6.8 -40.5 125 125 A V > - 0 0 49 -115,-0.3 3,-1.9 -2,-0.3 4,-0.5 -0.265 55.3 -41.0 -77.6-178.0 7.4 -3.3 -40.7 126 126 A G T 3 S- 0 0 73 1,-0.3 -1,-0.3 2,-0.1 -116,-0.0 -0.215 131.5 -6.9 -46.4 129.4 11.2 -2.9 -41.0 127 127 A G T 3> S+ 0 0 45 1,-0.1 4,-1.2 -3,-0.1 -1,-0.3 0.664 95.0 119.2 52.8 24.4 12.8 -5.4 -38.7 128 128 A A H <> + 0 0 0 -3,-1.9 4,-3.3 2,-0.2 5,-0.3 0.748 68.1 63.3 -83.3 -27.9 9.7 -6.7 -37.0 129 129 A K H > S+ 0 0 29 -4,-0.5 4,-2.2 2,-0.2 -1,-0.1 0.915 107.8 45.1 -59.6 -37.8 10.2 -10.2 -38.3 130 130 A D H > S+ 0 0 104 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.935 113.5 48.1 -67.1 -49.7 13.4 -10.2 -36.1 131 131 A A H X S+ 0 0 0 -4,-1.2 4,-4.3 1,-0.2 -2,-0.2 0.968 113.5 47.2 -56.1 -54.8 11.6 -8.6 -33.2 132 132 A W H X S+ 0 0 0 -4,-3.3 4,-3.8 1,-0.2 5,-0.4 0.898 108.7 56.4 -55.9 -44.0 8.8 -11.1 -33.4 133 133 A E H X S+ 0 0 65 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.965 115.7 35.8 -46.1 -62.9 11.4 -13.9 -33.7 134 134 A V H X S+ 0 0 48 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.931 115.2 57.7 -56.6 -52.3 13.0 -12.9 -30.5 135 135 A F H X S+ 0 0 0 -4,-4.3 4,-2.6 1,-0.3 -2,-0.2 0.946 110.2 41.8 -44.3 -60.1 9.7 -11.9 -29.0 136 136 A V H X S+ 0 0 0 -4,-3.8 4,-2.8 2,-0.2 -1,-0.3 0.772 107.7 62.6 -67.5 -22.3 8.2 -15.4 -29.5 137 137 A G H >X S+ 0 0 26 -4,-1.7 4,-2.8 -5,-0.4 3,-0.5 0.996 109.7 41.4 -54.4 -65.2 11.6 -16.9 -28.4 138 138 A F H 3X S+ 0 0 41 -4,-2.6 4,-3.0 1,-0.3 -2,-0.2 0.859 113.3 52.1 -45.0 -54.6 10.8 -15.2 -25.1 139 139 A I H 3X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.3 0.905 113.1 45.6 -52.0 -43.5 7.2 -16.2 -25.1 140 140 A C H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.2 3,-0.8 0.996 115.2 48.9 -63.6 -62.9 5.9 -21.1 -21.8 144 144 A G H 3X S+ 0 0 24 -4,-4.5 4,-2.8 1,-0.3 5,-0.3 0.888 113.2 45.9 -37.0 -67.4 8.6 -23.8 -21.7 145 145 A D H 3< S+ 0 0 115 -4,-3.3 -1,-0.3 1,-0.2 4,-0.3 0.801 118.4 43.9 -49.5 -37.7 9.8 -22.8 -18.2 146 146 A Y H << S+ 0 0 37 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.904 114.5 44.1 -81.2 -43.1 6.2 -22.6 -16.9 147 147 A M H >< S+ 0 0 17 -4,-3.1 3,-1.8 1,-0.3 -2,-0.2 0.864 110.6 55.3 -74.3 -33.6 4.6 -25.7 -18.4 148 148 A K T 3< S+ 0 0 90 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0.709 115.8 54.8 -84.4 -18.4 -29.8 3.5 -28.3 159 7 B Q H > S+ 0 0 44 2,-0.2 4,-1.5 1,-0.2 -2,-0.3 0.855 108.6 47.1 -68.0 -37.3 -29.8 0.9 -25.5 160 8 B K H X S+ 0 0 28 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.884 111.1 50.9 -70.6 -37.9 -26.8 -0.7 -27.2 161 9 B A H X S+ 0 0 43 -4,-0.9 4,-3.9 1,-0.2 -2,-0.2 0.917 104.2 58.9 -63.8 -42.3 -25.2 2.7 -27.5 162 10 B A H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.879 107.4 46.1 -52.6 -47.6 -25.8 3.3 -23.9 163 11 B I H X S+ 0 0 0 -4,-1.5 4,-4.1 2,-0.2 5,-0.4 0.990 113.3 47.4 -58.0 -63.8 -23.8 0.2 -23.0 164 12 B R H X S+ 0 0 76 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.909 113.9 51.0 -43.1 -50.3 -20.9 1.1 -25.4 165 13 B S H X S+ 0 0 60 -4,-3.9 4,-1.3 1,-0.2 -1,-0.2 0.918 116.5 38.7 -47.1 -53.3 -21.1 4.6 -23.9 166 14 B S H X S+ 0 0 0 -4,-2.4 4,-2.1 -3,-0.2 -2,-0.2 0.840 114.3 53.4 -77.2 -35.6 -20.9 3.4 -20.4 167 15 B W H X S+ 0 0 6 -4,-4.1 4,-2.6 1,-0.2 -1,-0.2 0.855 101.8 60.9 -72.5 -31.8 -18.4 0.6 -21.2 168 16 B S H X S+ 0 0 58 -4,-2.8 4,-3.1 -5,-0.4 6,-0.2 0.939 106.1 46.4 -51.7 -51.9 -16.1 3.2 -22.8 169 17 B K H X S+ 0 0 66 -4,-1.3 4,-0.6 2,-0.2 -2,-0.2 0.922 110.6 52.1 -61.8 -43.9 -15.8 5.0 -19.5 170 18 B F H >X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 3,-0.9 0.945 115.6 42.9 -52.7 -44.8 -15.3 1.8 -17.7 171 19 B M H 3< S+ 0 0 54 -4,-2.6 -2,-0.2 2,-0.3 -1,-0.2 0.810 91.9 77.8 -77.3 -34.4 -12.5 1.1 -20.2 172 20 B D H 3< S+ 0 0 118 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.735 119.1 22.0 -39.3 -28.2 -11.0 4.6 -20.2 173 21 B N H X< S+ 0 0 104 -3,-0.9 3,-0.9 -4,-0.6 4,-0.4 0.456 94.2 164.1-124.6 -12.4 -9.6 3.2 -17.0 174 22 B G T 3X + 0 0 9 -4,-1.1 4,-2.0 -6,-0.2 3,-0.2 0.057 64.4 27.2 51.6-118.3 -9.9 -0.4 -17.7 175 23 B V H >> S+ 0 0 33 1,-0.3 4,-2.8 2,-0.3 3,-0.8 0.968 116.9 61.2 -57.2 -45.8 -7.9 -2.6 -15.4 176 24 B S H <> S+ 0 0 65 -3,-0.9 4,-2.5 1,-0.3 -1,-0.3 0.902 113.1 39.4 -36.9 -58.5 -8.1 -0.2 -12.7 177 25 B N H 3> S+ 0 0 12 -4,-0.4 4,-3.1 -7,-0.4 -1,-0.3 0.749 107.6 61.6 -68.0 -26.4 -11.8 -0.7 -13.0 178 26 B G H < + 0 0 86 -4,-3.6 3,-1.8 -5,-0.4 -1,-0.3 -0.708 66.0 179.5-135.8 87.7 -20.0 -12.1 -2.8 190 38 B P G > S+ 0 0 84 0, 0.0 3,-2.6 0, 0.0 4,-0.4 0.683 73.6 78.6 -60.5 -28.0 -16.8 -13.6 -1.4 191 39 B E G > S+ 0 0 76 1,-0.3 3,-1.1 2,-0.2 -5,-0.1 0.736 83.3 70.2 -50.2 -27.0 -17.6 -17.2 -2.6 192 40 B T G < S+ 0 0 22 -3,-1.8 4,-0.4 1,-0.2 -1,-0.3 0.649 84.7 65.5 -67.4 -20.8 -16.4 -15.7 -6.0 193 41 B L G <> S+ 0 0 43 -3,-2.6 4,-0.9 1,-0.2 3,-0.4 0.702 83.4 82.6 -73.2 -19.4 -12.8 -15.7 -4.8 194 42 B T T X4 S+ 0 0 98 -3,-1.1 3,-1.1 -4,-0.4 4,-0.3 0.893 89.2 43.7 -57.7 -50.7 -12.8 -19.4 -4.6 195 43 B P G >4 S+ 0 0 52 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.769 110.7 58.9 -70.3 -21.0 -12.1 -20.3 -8.2 196 44 B F G >> S+ 0 0 33 -3,-0.4 3,-2.2 -4,-0.4 4,-1.7 0.660 74.3 99.8 -75.3 -20.6 -9.4 -17.6 -8.3 197 45 B K G << S+ 0 0 82 -3,-1.1 -1,-0.2 -4,-0.9 -3,-0.1 0.834 81.1 52.3 -30.4 -53.0 -7.6 -19.3 -5.4 198 46 B S G <4 S+ 0 0 97 -3,-0.5 3,-0.4 -4,-0.3 -1,-0.3 0.684 109.6 45.9 -70.1 -23.1 -5.1 -20.9 -8.0 199 47 B L T <4 S+ 0 0 13 -3,-2.2 2,-0.2 1,-0.2 -1,-0.2 0.941 115.5 45.1 -76.8 -51.7 -4.2 -17.6 -9.8 200 48 B F S >< S+ 0 0 10 -4,-1.7 3,-1.1 13,-0.1 -1,-0.2 0.054 86.5 157.5 -80.1 27.7 -3.6 -15.6 -6.6 201 49 B G T 3 + 0 0 39 -3,-0.4 3,-0.1 1,-0.3 -3,-0.1 -0.318 68.5 6.6 -69.0 131.5 -1.6 -18.5 -5.0 202 50 B G T 3 S+ 0 0 85 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.857 110.3 117.9 61.1 37.2 0.8 -17.6 -2.2 203 51 B L < - 0 0 37 -3,-1.1 -1,-0.2 3,-0.0 2,-0.1 -0.963 59.7-137.6-142.0 118.6 -0.8 -14.1 -2.5 204 52 B T - 0 0 70 -2,-0.4 4,-0.5 1,-0.1 3,-0.3 -0.349 23.4-117.8 -74.0 154.4 -2.7 -12.3 0.2 205 53 B L S > S+ 0 0 118 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.780 115.6 56.2 -60.2 -32.0 -5.9 -10.3 -0.5 206 54 B A T 4 S+ 0 0 86 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.891 108.3 46.3 -67.3 -39.5 -4.1 -7.1 0.6 207 55 B Q T 4 S+ 0 0 97 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.425 92.0 86.9 -87.2 0.6 -1.4 -7.6 -2.0 208 56 B L T >4 + 0 0 6 -4,-0.5 3,-1.8 -3,-0.4 6,-0.3 0.914 63.7 93.2 -60.0 -51.2 -3.9 -8.4 -4.8 209 57 B Q T 3< S- 0 0 120 -4,-0.5 -3,-0.0 -3,-0.5 0, 0.0 -0.304 108.6 -6.8 -59.2 124.5 -4.5 -4.8 -5.8 210 58 B D T 3 S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.328 95.8 137.5 67.6 -2.3 -2.2 -3.8 -8.6 211 59 B N X> - 0 0 36 -3,-1.8 4,-2.9 1,-0.1 3,-1.5 -0.548 65.2-121.1 -64.8 137.8 -0.3 -7.1 -8.3 212 60 B P H 3> S+ 0 0 32 0, 0.0 4,-4.2 0, 0.0 5,-0.3 0.917 111.9 60.0 -48.4 -51.5 0.2 -8.3 -11.9 213 61 B K H 3> S+ 0 0 67 1,-0.2 4,-1.4 2,-0.2 -5,-0.1 0.794 114.4 38.1 -51.7 -28.7 -1.7 -11.6 -11.4 214 62 B M H <> S+ 0 0 0 -3,-1.5 4,-3.4 -6,-0.3 5,-0.2 0.915 115.9 50.2 -83.4 -52.0 -4.7 -9.3 -10.5 215 63 B K H X S+ 0 0 61 -4,-2.9 4,-2.6 -7,-0.3 -2,-0.2 0.932 113.6 49.3 -47.7 -50.7 -4.0 -6.7 -13.2 216 64 B A H X S+ 0 0 0 -4,-4.2 4,-2.5 2,-0.2 3,-0.2 0.981 112.2 44.7 -53.6 -64.9 -3.6 -9.5 -15.7 217 65 B Q H X S+ 0 0 21 -4,-1.4 4,-2.8 -5,-0.3 -1,-0.2 0.887 112.3 54.0 -46.5 -44.8 -6.9 -11.3 -14.7 218 66 B S H X S+ 0 0 0 -4,-3.4 4,-2.8 2,-0.2 -1,-0.2 0.934 108.2 49.8 -58.4 -45.4 -8.6 -7.9 -14.7 219 67 B L H X S+ 0 0 26 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.951 108.8 51.4 -56.2 -55.1 -7.4 -7.3 -18.2 220 68 B V H X S+ 0 0 61 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.956 110.1 49.8 -45.1 -58.4 -8.6 -10.6 -19.4 221 69 B F H X S+ 0 0 31 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.906 108.0 53.2 -49.3 -52.0 -12.0 -9.8 -17.9 222 70 B C H X S+ 0 0 3 -4,-2.8 4,-3.9 2,-0.2 5,-0.3 0.932 109.7 48.8 -44.6 -56.9 -12.1 -6.4 -19.7 223 71 B N H X S+ 0 0 37 -4,-2.6 4,-4.4 2,-0.2 5,-0.2 0.956 111.1 49.7 -50.6 -58.9 -11.4 -8.2 -23.0 224 72 B G H X S+ 0 0 28 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.940 115.8 42.6 -42.7 -62.7 -14.1 -10.7 -22.4 225 73 B M H >X S+ 0 0 4 -4,-3.0 4,-3.0 2,-0.2 3,-1.6 0.933 117.1 46.0 -52.0 -54.0 -16.6 -8.0 -21.5 226 74 B S H 3X S+ 0 0 16 -4,-3.9 4,-3.6 1,-0.3 5,-0.5 0.969 105.8 60.9 -53.1 -51.9 -15.5 -5.7 -24.3 227 75 B S H 3< S+ 0 0 9 -4,-4.4 4,-0.3 -5,-0.3 -1,-0.3 0.674 111.9 39.9 -55.3 -14.8 -15.6 -8.6 -26.6 228 76 B F H << S+ 0 0 4 -3,-1.6 -1,-0.3 -4,-0.8 -2,-0.2 0.854 114.5 51.1 -91.0 -49.6 -19.3 -8.9 -25.7 229 77 B V H < S+ 0 0 1 -4,-3.0 3,-0.5 1,-0.3 -2,-0.2 0.765 113.7 45.8 -58.9 -29.2 -20.0 -5.2 -25.7 230 78 B D S >< S+ 0 0 83 -4,-3.6 3,-0.7 -5,-0.2 4,-0.4 0.836 111.5 51.7 -83.5 -29.8 -18.4 -4.8 -29.1 231 79 B H T 3 S+ 0 0 28 -5,-0.5 7,-0.4 -4,-0.3 -2,-0.2 0.139 72.0 113.7 -97.1 25.2 -20.2 -7.8 -30.5 232 80 B L T 3 S+ 0 0 3 -3,-0.5 -1,-0.2 1,-0.2 3,-0.2 0.788 89.9 33.6 -58.4 -30.7 -23.6 -6.5 -29.4 233 81 B D S < S+ 0 0 83 -3,-0.7 2,-2.1 1,-0.2 3,-0.2 0.834 106.1 66.4 -94.2 -39.0 -24.4 -6.2 -33.0 234 82 B D S >> S+ 0 0 92 -4,-0.4 3,-2.4 1,-0.2 4,-0.9 -0.131 74.7 168.2 -75.3 45.8 -22.5 -9.2 -34.5 235 83 B N H 3> + 0 0 42 -2,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.575 59.1 58.2 -42.0 -47.2 -25.0 -11.3 -32.5 236 84 B D H 3> S+ 0 0 122 1,-0.2 4,-0.7 -3,-0.2 -1,-0.3 0.851 114.7 44.3 -56.7 -29.4 -24.6 -14.9 -33.7 237 85 B M H <> S+ 0 0 6 -3,-2.4 4,-2.6 2,-0.2 3,-0.4 0.868 103.8 61.9 -82.7 -42.9 -21.0 -14.5 -32.5 238 86 B L H X S+ 0 0 3 -4,-0.9 4,-2.6 -7,-0.4 5,-0.2 0.962 103.5 52.7 -40.4 -60.2 -21.9 -12.8 -29.3 239 87 B V H X S+ 0 0 35 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.824 109.3 47.8 -44.6 -42.6 -23.7 -16.0 -28.4 240 88 B V H X S+ 0 0 8 -4,-0.7 4,-4.0 -3,-0.4 -1,-0.2 0.914 108.9 51.5 -73.9 -43.8 -20.6 -18.1 -29.1 241 89 B L H X S+ 0 0 7 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.916 112.3 48.7 -55.5 -46.4 -18.2 -15.9 -27.1 242 90 B I H X S+ 0 0 0 -4,-2.6 4,-3.6 -5,-0.3 -2,-0.2 0.963 112.1 47.9 -59.2 -50.5 -20.7 -16.3 -24.3 243 91 B Q H X S+ 0 0 55 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.914 111.3 50.6 -58.0 -42.2 -20.7 -20.0 -24.9 244 92 B K H X S+ 0 0 35 -4,-4.0 4,-1.9 2,-0.2 -1,-0.2 0.934 113.2 46.3 -57.3 -48.0 -16.9 -20.1 -25.0 245 93 B M H X S+ 0 0 27 -4,-3.2 4,-2.6 1,-0.2 5,-0.3 0.962 111.6 51.2 -58.2 -53.3 -16.9 -18.2 -21.7 246 94 B A H X S+ 0 0 0 -4,-3.6 4,-1.3 1,-0.2 -2,-0.2 0.882 107.8 52.7 -52.1 -45.2 -19.5 -20.4 -20.2 247 95 B K H X S+ 0 0 48 -4,-2.8 4,-2.1 -5,-0.2 3,-0.3 0.939 111.5 45.6 -58.1 -47.8 -17.6 -23.6 -21.1 248 96 B L H X S+ 0 0 65 -4,-1.9 4,-2.8 1,-0.3 -2,-0.2 0.957 112.6 48.8 -62.6 -51.5 -14.3 -22.3 -19.5 249 97 B H H <>S+ 0 0 58 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