==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 06-DEC-12 4IA4 . COMPND 2 MOLECULE: AQUAPORIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SPINACIA OLERACEA; . AUTHOR A.FRICK,M.JARVA,S.TORNROTH-HORSEFIELD . 967 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 747 77.2 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 . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 1 0.1 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 . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 577 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 0 0 8 0 0 4 1 3 0 0 0 2 0 0 3 3 1 2 3 1 2 4 0 0 0 3 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 . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 25 A P 0 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -86.6 3.0 -7.7 19.2 2 26 A F + 0 0 75 89,-0.1 91,-0.6 90,-0.1 90,-0.4 0.418 360.0 33.7-144.1 -71.4 2.8 -11.4 20.1 3 27 A F S S- 0 0 162 89,-0.1 4,-0.1 88,-0.1 90,-0.1 0.942 76.1-177.2 -57.7 -51.0 -0.4 -13.4 20.5 4 28 A D > - 0 0 62 1,-0.1 3,-3.1 2,-0.1 4,-0.3 0.839 14.4-165.6 52.1 51.7 -2.0 -11.3 17.8 5 29 A L T 3> S+ 0 0 150 1,-0.3 4,-0.6 2,-0.1 3,-0.3 0.595 81.1 66.0 -44.9 -16.2 -5.6 -12.6 17.7 6 30 A G T 34 S+ 0 0 44 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.626 78.2 77.0 -91.0 -15.4 -6.2 -10.8 14.4 7 31 A E T X4 S+ 0 0 27 -3,-3.1 3,-1.6 1,-0.2 6,-0.2 0.910 91.7 55.1 -60.4 -44.3 -3.7 -12.8 12.2 8 32 A L T 34 S+ 0 0 82 -4,-0.3 -1,-0.2 -3,-0.3 6,-0.2 0.940 103.1 58.2 -52.4 -50.0 -6.1 -15.7 12.0 9 33 A K T 3< S+ 0 0 191 -4,-0.6 -1,-0.3 4,-0.1 2,-0.2 0.585 85.9 97.9 -57.7 -17.5 -8.8 -13.4 10.7 10 34 A L <> - 0 0 93 -3,-1.6 4,-0.8 -4,-0.5 -3,-0.0 -0.543 65.9-147.3 -79.6 144.0 -6.7 -12.2 7.7 11 35 A W H > S+ 0 0 178 -2,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.775 98.2 52.6 -78.8 -28.8 -7.3 -13.9 4.4 12 36 A S H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.903 98.6 64.8 -73.2 -41.5 -3.7 -13.6 3.3 13 37 A F H > S+ 0 0 2 1,-0.3 4,-1.6 -6,-0.2 -1,-0.2 0.870 105.2 44.4 -48.3 -44.6 -2.4 -15.3 6.4 14 38 A W H X S+ 0 0 119 -4,-0.8 4,-1.4 -6,-0.2 -1,-0.3 0.840 108.3 58.6 -71.1 -32.8 -4.2 -18.5 5.4 15 39 A R H X S+ 0 0 58 -4,-1.0 4,-2.2 -3,-0.3 3,-0.5 0.961 104.9 50.8 -59.2 -52.0 -3.0 -18.2 1.8 16 40 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.3 5,-0.3 0.949 105.3 53.4 -49.4 -62.5 0.6 -18.3 3.0 17 41 A A H X S+ 0 0 10 -4,-1.6 4,-1.8 1,-0.3 -1,-0.3 0.817 109.5 52.1 -44.2 -36.9 0.3 -21.4 5.2 18 42 A I H X S+ 0 0 60 -4,-1.4 4,-3.5 -3,-0.5 5,-0.4 0.956 108.1 48.5 -66.4 -52.0 -1.1 -23.1 2.1 19 43 A A H X S+ 0 0 0 -4,-2.2 4,-4.1 1,-0.3 -2,-0.2 0.965 112.9 49.2 -50.3 -56.2 1.8 -22.1 -0.1 20 44 A E H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.3 0.837 113.1 48.3 -52.4 -38.5 4.1 -23.3 2.6 21 45 A F H X S+ 0 0 56 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.907 116.3 40.2 -70.6 -44.7 2.1 -26.5 2.7 22 46 A I H X S+ 0 0 32 -4,-3.5 4,-2.3 2,-0.2 -2,-0.2 0.874 117.3 53.4 -69.7 -36.4 2.1 -27.1 -1.0 23 47 A A H X S+ 0 0 0 -4,-4.1 4,-2.6 -5,-0.4 -2,-0.2 0.979 109.4 43.1 -59.7 -64.6 5.7 -25.9 -1.1 24 48 A T H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.815 112.6 58.0 -53.6 -33.1 7.2 -28.3 1.5 25 49 A L H X S+ 0 0 29 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.2 0.981 108.1 42.8 -62.2 -58.1 5.1 -31.0 -0.1 26 50 A L H X S+ 0 0 3 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.946 109.8 59.2 -52.0 -54.5 6.7 -30.6 -3.6 27 51 A F H X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.3 5,-0.2 0.894 110.1 40.6 -40.3 -60.8 10.2 -30.3 -2.0 28 52 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 5,-0.5 0.880 113.8 53.9 -60.9 -40.6 10.0 -33.7 -0.3 29 53 A Y H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.974 114.4 40.6 -59.4 -51.9 8.4 -35.4 -3.3 30 54 A I H X S+ 0 0 0 -4,-3.1 4,-1.0 2,-0.2 -2,-0.2 0.904 121.0 40.9 -64.2 -45.3 11.1 -34.2 -5.7 31 55 A T H >X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.3 3,-1.5 0.999 116.6 45.7 -66.8 -64.8 14.1 -34.8 -3.4 32 56 A V H 3X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.3 -2,-0.2 0.831 111.1 53.7 -44.7 -45.6 13.1 -38.1 -1.9 33 57 A A H 3X S+ 0 0 2 -4,-1.9 4,-2.2 -5,-0.5 -1,-0.3 0.825 108.5 51.0 -61.7 -32.3 12.1 -39.5 -5.3 34 58 A T H < S+ 0 0 42 -4,-1.2 3,-1.0 2,-0.1 -1,-0.3 0.942 113.5 42.8 -74.7 -52.4 19.3 -43.3 -7.3 39 63 A S H 3< S+ 0 0 39 -4,-2.1 -2,-0.2 -3,-0.3 -3,-0.2 0.879 111.4 53.5 -62.0 -45.4 19.5 -46.1 -4.8 40 64 A K T 3< S+ 0 0 55 -4,-3.0 -1,-0.2 -5,-0.1 -3,-0.1 0.442 83.6 119.1 -73.2 -0.5 17.3 -48.5 -6.7 41 65 A E < - 0 0 52 -3,-1.0 6,-0.1 -5,-0.4 4,-0.1 -0.463 44.8-170.0 -70.3 141.4 19.5 -48.1 -9.8 42 66 A T + 0 0 132 -2,-0.1 -1,-0.1 4,-0.1 2,-0.0 0.796 61.8 80.7 -97.4 -40.9 21.1 -51.3 -11.0 43 67 A V S > S- 0 0 95 1,-0.1 3,-0.9 2,-0.1 2,-0.6 -0.351 90.7-107.9 -68.6 147.2 23.6 -49.9 -13.6 44 68 A V T 3 S- 0 0 88 1,-0.3 731,-0.3 2,-0.1 -1,-0.1 -0.703 106.7 -0.6 -78.3 121.7 26.9 -48.5 -12.2 45 69 A C T 3 S+ 0 0 33 -2,-0.6 735,-0.5 489,-0.2 -1,-0.3 0.459 98.0 127.7 77.5 1.1 26.7 -44.7 -12.6 46 70 A G < + 0 0 11 -3,-0.9 -2,-0.1 733,-0.1 2,-0.1 0.632 59.8 64.8 -64.2 -13.5 23.3 -45.4 -14.1 47 71 A S S S- 0 0 17 -4,-0.3 733,-0.5 -9,-0.1 734,-0.4 -0.424 100.0-100.6-102.6-179.7 21.8 -42.9 -11.7 48 72 A V > - 0 0 11 732,-0.2 4,-0.9 -14,-0.2 3,-0.1 0.585 62.7-130.7 -76.5 -12.3 22.3 -39.1 -11.3 49 73 A G H > - 0 0 18 2,-0.2 4,-1.6 1,-0.2 3,-0.4 -0.028 33.9 -66.9 84.3 167.8 24.7 -39.7 -8.4 50 74 A L H > S+ 0 0 21 487,-0.8 4,-3.3 1,-0.2 5,-0.2 0.848 133.5 65.5 -62.1 -30.1 24.7 -38.1 -5.0 51 75 A L H > S+ 0 0 13 486,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.926 100.6 49.0 -56.8 -45.8 25.6 -34.9 -6.8 52 76 A G H X S+ 0 0 0 -4,-0.9 4,-3.2 -3,-0.4 -1,-0.2 0.912 110.8 50.7 -59.6 -42.1 22.2 -35.0 -8.4 53 77 A I H X S+ 0 0 10 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.958 110.3 48.5 -59.8 -52.1 20.6 -35.6 -5.0 54 78 A A H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 3,-0.4 0.964 113.8 47.9 -50.8 -55.8 22.5 -32.6 -3.5 55 79 A W H X>S+ 0 0 5 -4,-3.0 4,-3.4 1,-0.2 5,-0.5 0.899 106.4 58.0 -51.3 -45.8 21.3 -30.6 -6.5 56 80 A A H X5S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.918 110.6 42.9 -52.0 -46.7 17.8 -31.8 -6.1 57 81 A F H X5S+ 0 0 3 -4,-2.3 4,-1.6 -3,-0.4 -2,-0.2 0.912 122.0 36.9 -68.8 -45.7 17.7 -30.4 -2.6 58 82 A G H X5S+ 0 0 2 -4,-2.5 4,-2.8 124,-0.2 -2,-0.2 0.961 118.5 49.6 -71.8 -50.6 19.4 -27.1 -3.3 59 83 A G H X5S+ 0 0 2 -4,-3.4 4,-2.7 -5,-0.3 5,-0.3 0.932 110.3 50.4 -53.2 -51.7 17.7 -26.6 -6.7 60 84 A M H XX S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 3,-0.7 0.959 118.4 49.1 -54.5 -58.5 12.9 -22.8 -7.2 64 88 A L H 3X S+ 0 0 7 -4,-4.1 4,-1.6 1,-0.3 3,-0.4 0.918 112.2 48.2 -50.2 -48.3 10.4 -23.3 -4.4 65 89 A V H 3X S+ 0 0 2 -4,-3.6 4,-0.9 -5,-0.3 -1,-0.3 0.796 108.0 55.8 -65.2 -26.7 11.6 -20.2 -2.6 66 90 A Y H << S+ 0 0 69 -4,-1.8 4,-0.3 -3,-0.7 -1,-0.2 0.867 111.1 44.3 -70.8 -35.6 11.4 -18.2 -5.8 67 91 A C H < S+ 0 0 9 -4,-1.9 -2,-0.2 -3,-0.4 -1,-0.2 0.717 121.5 39.1 -79.6 -22.9 7.7 -19.2 -6.2 68 92 A T H X>S+ 0 0 0 -4,-1.6 6,-2.3 -5,-0.2 5,-2.0 0.354 86.0 89.1-114.3 8.5 6.8 -18.6 -2.6 69 93 A A H X5S+ 0 0 8 -4,-0.9 4,-0.6 4,-0.3 -3,-0.1 0.991 93.3 43.3 -66.4 -60.1 8.7 -15.4 -1.4 70 94 A G H 45S+ 0 0 25 -4,-0.3 96,-2.2 95,-0.1 -1,-0.2 0.758 123.8 38.0 -57.0 -28.8 6.0 -12.9 -2.4 71 95 A I H 45S- 0 0 39 94,-0.2 96,-0.2 -4,-0.2 97,-0.2 0.949 139.8 -0.6 -88.5 -64.6 3.2 -15.1 -1.0 72 96 A S H <5S- 0 0 0 -4,-1.5 -3,-0.2 -56,-0.2 -2,-0.1 0.662 97.5-102.0-102.4 -19.7 4.5 -16.8 2.2 73 97 A G << - 0 0 0 -5,-2.0 -4,-0.3 -4,-0.6 -3,-0.1 0.475 56.1 -99.4 105.5 7.1 8.1 -15.5 2.5 74 98 A G S S+ 0 0 2 -6,-2.3 -5,-0.1 -10,-0.1 -9,-0.1 0.877 71.9 144.6 44.2 65.1 9.4 -18.8 1.2 75 99 A H + 0 0 7 -7,-0.2 5,-0.1 1,-0.1 -10,-0.1 0.940 13.4 169.0 -88.9 -62.3 10.5 -20.6 4.3 76 100 A I + 0 0 0 -8,-0.1 -1,-0.1 1,-0.1 124,-0.0 0.572 61.4 83.0 58.8 11.3 9.7 -24.3 3.5 77 101 A N > - 0 0 4 1,-0.1 4,-2.4 123,-0.1 5,-0.2 -0.939 68.5-150.9-152.0 123.1 11.7 -25.0 6.7 78 102 A P H > S+ 0 0 1 0, 0.0 4,-4.4 0, 0.0 5,-0.3 0.933 104.5 53.7 -53.8 -48.2 10.9 -25.0 10.4 79 103 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.879 110.5 47.2 -54.5 -41.1 14.5 -24.0 11.3 80 104 A V H > S+ 0 0 6 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.865 115.4 44.9 -69.1 -36.5 14.2 -21.1 8.9 81 105 A T H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.948 114.3 49.2 -71.7 -47.7 10.9 -20.1 10.4 82 106 A F H X S+ 0 0 45 -4,-4.4 4,-2.5 1,-0.2 3,-0.5 0.946 112.4 47.8 -55.6 -51.6 12.2 -20.6 13.9 83 107 A G H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.3 -1,-0.2 0.894 114.0 46.9 -57.6 -41.1 15.3 -18.5 13.1 84 108 A L H <>S+ 0 0 10 -4,-2.0 5,-2.3 1,-0.2 6,-0.8 0.712 109.0 55.9 -74.5 -20.2 13.2 -15.8 11.6 85 109 A F H ><5S+ 0 0 46 -4,-1.8 3,-2.6 -3,-0.5 -2,-0.2 0.932 103.1 53.3 -75.1 -45.9 10.8 -15.9 14.5 86 110 A L H 3<5S+ 0 0 80 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.727 105.3 56.1 -59.7 -22.6 13.6 -15.3 17.0 87 111 A A T 3<5S- 0 0 15 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.259 116.1-120.8 -92.6 11.3 14.5 -12.2 14.9 88 112 A R T < 5S+ 0 0 201 -3,-2.6 -3,-0.2 2,-0.2 -2,-0.1 0.850 83.7 116.5 50.0 43.9 10.9 -11.1 15.5 89 113 A K S - 0 0 27 -2,-0.4 4,-2.3 -3,-0.1 5,-0.2 -0.145 26.1-109.2 -61.3 156.3 4.9 -13.6 14.8 92 116 A L H > S+ 0 0 51 -90,-0.4 4,-1.6 1,-0.2 5,-0.1 0.840 120.4 51.2 -56.5 -31.9 4.5 -16.5 17.2 93 117 A L H > S+ 0 0 39 -91,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.964 111.0 44.7 -69.6 -52.3 1.2 -17.3 15.6 94 118 A R H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.768 111.0 55.5 -61.9 -31.1 2.6 -17.4 12.0 95 119 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.908 109.9 45.0 -70.9 -41.4 5.6 -19.4 13.1 96 120 A L H X S+ 0 0 96 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.887 115.9 45.9 -68.6 -40.6 3.4 -22.1 14.7 97 121 A V H X S+ 0 0 27 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.902 112.3 52.8 -67.2 -43.4 1.0 -22.3 11.7 98 122 A Y H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.943 108.7 48.4 -58.7 -50.2 4.0 -22.3 9.3 99 123 A M H X S+ 0 0 36 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.869 111.1 49.2 -61.8 -38.2 5.6 -25.2 11.0 100 124 A I H X S+ 0 0 103 -4,-1.7 4,-3.7 2,-0.2 5,-0.3 0.975 112.7 48.7 -62.9 -51.6 2.5 -27.3 11.1 101 125 A A H X S+ 0 0 12 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.834 113.0 48.8 -54.2 -37.6 2.0 -26.6 7.4 102 126 A Q H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.809 114.6 43.6 -74.0 -35.0 5.6 -27.5 6.8 103 127 A C H X S+ 0 0 19 -4,-2.2 4,-2.0 -3,-0.3 5,-0.2 0.913 117.1 46.0 -75.2 -44.7 5.3 -30.8 8.7 104 128 A L H X S+ 0 0 96 -4,-3.7 4,-1.0 1,-0.2 -2,-0.2 0.777 112.9 50.5 -68.2 -27.8 2.0 -31.6 7.1 105 129 A G H X S+ 0 0 0 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.852 109.8 53.6 -77.4 -33.2 3.3 -30.7 3.7 106 130 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 5,-0.2 0.969 105.1 47.1 -64.0 -60.5 6.3 -32.9 4.3 107 131 A I H X S+ 0 0 41 -4,-2.0 4,-3.5 1,-0.2 5,-0.2 0.871 112.2 53.5 -47.9 -44.4 4.7 -36.3 5.2 108 132 A C H X S+ 0 0 64 -4,-1.0 4,-2.9 -5,-0.2 -1,-0.2 0.933 109.4 48.3 -58.7 -48.2 2.4 -35.9 2.2 109 133 A G H X S+ 0 0 0 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.916 115.2 43.5 -59.2 -46.4 5.3 -35.4 -0.1 110 134 A V H >X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 3,-1.1 0.947 114.6 49.5 -65.2 -49.3 7.2 -38.4 1.3 111 135 A G H 3X S+ 0 0 20 -4,-3.5 4,-2.7 1,-0.3 5,-0.2 0.908 104.5 59.6 -55.6 -42.1 4.1 -40.6 1.3 112 136 A L H 3X S+ 0 0 50 -4,-2.9 4,-0.9 -5,-0.2 -1,-0.3 0.775 105.8 49.6 -57.8 -28.1 3.4 -39.5 -2.3 113 137 A V H XX S+ 0 0 0 -3,-1.1 4,-2.3 -4,-0.8 3,-1.4 0.975 108.2 51.1 -72.6 -58.1 6.8 -41.0 -3.1 114 138 A K H 3< S+ 0 0 56 -4,-2.0 4,-0.4 1,-0.3 -2,-0.2 0.891 107.6 54.3 -42.9 -52.6 6.1 -44.3 -1.4 115 139 A A H 3< S+ 0 0 75 -4,-2.7 3,-0.3 1,-0.2 -1,-0.3 0.827 111.2 45.5 -53.4 -36.4 2.8 -44.6 -3.2 116 140 A F H << S+ 0 0 29 -3,-1.4 750,-0.3 -4,-0.9 -1,-0.2 0.870 136.6 8.7 -77.3 -39.5 4.6 -44.2 -6.6 117 141 A M X + 0 0 8 -4,-2.3 4,-2.0 1,-0.1 -2,-0.2 -0.424 68.6 157.6-142.6 63.2 7.4 -46.7 -5.7 118 142 A K H > S+ 0 0 134 -4,-0.4 4,-2.2 -3,-0.3 5,-0.3 0.882 72.7 61.6 -53.7 -42.3 6.7 -48.5 -2.5 119 143 A G H > S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.953 115.3 24.7 -51.0 -68.1 9.0 -51.3 -3.5 120 144 A P H > S+ 0 0 24 0, 0.0 4,-1.8 0, 0.0 6,-0.3 0.755 116.9 68.8 -65.8 -26.5 12.4 -49.6 -3.8 121 145 A Y H <>S+ 0 0 0 -4,-2.0 5,-1.3 1,-0.2 -2,-0.2 0.912 107.9 33.4 -60.6 -46.0 11.1 -46.9 -1.4 122 146 A N H <5S+ 0 0 62 -4,-2.2 3,-0.5 -3,-0.2 -1,-0.2 0.841 116.7 57.1 -78.6 -33.6 11.1 -49.3 1.5 123 147 A Q H <5S+ 0 0 138 -4,-1.6 2,-0.3 -5,-0.3 -2,-0.2 0.744 106.6 50.4 -69.2 -24.0 14.1 -51.3 0.3 124 148 A F T ><5S- 0 0 65 -4,-1.8 3,-0.8 -5,-0.1 -1,-0.2 -0.485 123.4 -80.2-119.8 63.7 16.3 -48.2 0.2 125 149 A G G > 5 - 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0 0 34 -5,-0.2 4,-3.7 1,-0.1 5,-0.3 -0.981 42.6-138.9-126.6 136.9 52.6 -33.5 7.4 702 236 C N H > S+ 0 0 135 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.923 109.2 51.5 -56.8 -45.7 56.2 -33.0 6.5 703 237 C K H > S+ 0 0 102 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.870 115.2 43.3 -60.4 -36.5 55.5 -33.8 2.9 704 238 C V H >> S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.978 111.6 51.5 -72.7 -56.4 52.6 -31.3 3.0 705 239 C W H 3< S+ 0 0 86 -4,-3.7 4,-0.4 1,-0.2 -2,-0.2 0.751 103.8 62.4 -52.5 -25.5 54.6 -28.6 4.8 706 240 C D H >< S+ 0 0 106 -4,-1.9 3,-0.6 -5,-0.3 -1,-0.2 0.967 111.3 33.8 -66.3 -52.0 57.3 -28.9 2.2 707 241 C D H XX S+ 0 0 12 -4,-1.1 3,-2.5 -3,-0.6 4,-0.6 0.697 94.0 95.5 -75.4 -22.4 55.2 -27.9 -0.8 708 242 C Q T >< S+ 0 0 9 -4,-2.0 3,-0.6 1,-0.3 -1,-0.2 0.737 70.5 67.9 -39.7 -38.6 53.1 -25.4 1.3 709 243 C W T X> S+ 0 0 118 -3,-0.6 4,-2.1 -4,-0.4 3,-1.6 0.844 92.5 61.1 -55.4 -35.3 55.3 -22.4 0.3 710 244 C I H <> S+ 0 0 0 -3,-2.5 4,-2.9 1,-0.3 -1,-0.2 0.924 95.7 61.5 -56.9 -45.1 54.0 -22.7 -3.2 711 245 C F H << S+ 0 0 0 -4,-0.6 -1,-0.3 -3,-0.6 -19,-0.2 0.334 111.7 37.0 -67.4 5.7 50.5 -22.1 -2.0 712 246 C W H <> S+ 0 0 82 -3,-1.6 4,-1.9 -4,-0.1 5,-0.2 0.655 119.8 42.1-118.6 -54.3 51.5 -18.6 -0.7 713 247 C V H X S+ 0 0 60 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.886 113.6 54.2 -59.6 -45.7 53.9 -17.3 -3.3 714 248 C G H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.944 111.3 41.8 -58.1 -54.8 51.9 -18.6 -6.2 715 249 C P H > S+ 0 0 0 0, 0.0 4,-3.5 0, 0.0 -1,-0.2 0.893 115.8 50.1 -62.9 -40.0 48.5 -16.9 -5.3 716 250 C F H X S+ 0 0 38 -4,-1.9 4,-3.7 2,-0.2 5,-0.2 0.955 111.9 46.1 -63.6 -50.1 50.2 -13.6 -4.3 717 251 C I H X S+ 0 0 70 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.929 116.7 46.5 -56.7 -45.5 52.2 -13.4 -7.5 718 252 C G H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 5,-0.2 0.943 112.0 51.6 -60.7 -46.3 49.1 -14.2 -9.3 719 253 C A H X S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.960 109.9 48.5 -52.7 -58.9 47.2 -11.7 -7.2 720 254 C A H X S+ 0 0 33 -4,-3.7 4,-3.1 1,-0.2 5,-0.2 0.919 110.6 50.2 -48.4 -55.7 49.7 -8.9 -8.0 721 255 C V H X S+ 0 0 69 -4,-2.4 4,-3.6 1,-0.2 -1,-0.2 0.862 109.5 49.7 -54.8 -43.3 49.7 -9.6 -11.8 722 256 C A H X S+ 0 0 0 -4,-2.1 4,-3.3 -3,-0.2 5,-0.2 0.926 112.8 49.7 -61.2 -44.1 45.8 -9.5 -12.1 723 257 C A H X S+ 0 0 6 -4,-2.3 4,-3.1 -5,-0.2 5,-0.5 0.948 113.8 43.6 -58.1 -52.5 45.9 -6.3 -10.1 724 258 C A H X>S+ 0 0 49 -4,-3.1 4,-1.9 1,-0.2 5,-1.2 0.923 114.7 51.9 -60.0 -44.0 48.6 -4.9 -12.4 725 259 C Y H <5S+ 0 0 19 -4,-3.6 -2,-0.2 -5,-0.2 -1,-0.2 0.925 117.1 37.2 -58.8 -48.0 46.7 -6.2 -15.4 726 260 C H H <5S+ 0 0 18 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.857 126.4 34.4 -76.5 -37.2 43.4 -4.7 -14.4 727 261 C Q H <5S+ 0 0 61 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.923 129.6 28.8 -83.0 -49.8 44.6 -1.4 -12.9 728 262 C Y T <5S+ 0 0 199 -4,-1.9 -3,-0.2 -5,-0.5 -2,-0.1 0.965 127.5 30.3 -80.5 -57.7 47.5 -0.7 -15.2 729 263 C V S - 0 0 84 1,-0.1 3,-1.6 2,-0.0 4,-0.2 -0.777 360.0-168.1 -94.1 87.3 -10.5 -13.5 -32.5 735 29 D L T 3> + 0 0 126 -2,-1.4 4,-0.5 1,-0.3 -1,-0.1 0.393 67.9 92.8 -52.4 -3.9 -9.1 -14.2 -36.0 736 30 D G T 34 S+ 0 0 55 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.737 74.3 64.0 -64.8 -26.3 -7.8 -10.7 -36.1 737 31 D E T X4 S+ 0 0 31 -3,-1.6 3,-2.8 1,-0.2 6,-0.3 0.952 86.6 67.5 -64.7 -50.9 -4.4 -11.8 -34.8 738 32 D L T 34 S+ 0 0 70 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.800 97.6 58.0 -36.9 -39.1 -3.6 -14.0 -37.8 739 33 D K T 3< S+ 0 0 193 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.775 85.3 96.6 -66.1 -31.2 -3.3 -10.7 -39.7 740 34 D L S <> S- 0 0 92 -3,-2.8 4,-0.6 -4,-0.5 -3,-0.0 -0.346 70.0-141.8 -63.8 140.9 -0.6 -9.3 -37.5 741 35 D W H >> S+ 0 0 172 1,-0.2 3,-1.2 2,-0.2 4,-1.0 0.919 99.1 56.4 -68.8 -46.0 3.0 -9.6 -38.6 742 36 D S H >> S+ 0 0 17 1,-0.3 4,-2.3 2,-0.2 3,-0.8 0.868 95.8 66.7 -53.9 -41.9 4.4 -10.3 -35.1 743 37 D F H 3> S+ 0 0 2 -6,-0.3 4,-0.8 1,-0.3 -1,-0.3 0.809 100.4 48.8 -52.4 -35.4 2.1 -13.3 -34.7 744 38 D W H < S+ 0 0 38 -4,-1.6 3,-2.4 -3,-0.2 -2,-0.2 0.979 109.6 47.5 -75.9 -63.4 25.2 -41.1 -23.1 769 63 D S H 3< S+ 0 0 44 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.783 106.6 56.5 -47.5 -41.6 23.6 -44.4 -23.9 770 64 D K T 3< S+ 0 0 60 -4,-2.6 -1,-0.3 84,-0.1 2,-0.3 0.539 80.8 120.2 -72.3 -6.8 26.1 -45.4 -26.7 771 65 D E < - 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