==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 15-MAY-08 2K3S . COMPND 2 MOLECULE: SMOOTHELIN-LIKE PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR H.ISHIDA,M.A.BORMAN,J.OSTRANDER,H.J.VOGEL,J.A.MACDONALD . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 70.4 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 . 3 1.6 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 . 15 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 46.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 1 0 1 4 0 0 1 0 0 1 1 0 0 0 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 93 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.9 16.7 5.1 -13.2 2 2 A P + 0 0 89 0, 0.0 2,-1.9 0, 0.0 6,-0.1 0.677 360.0 91.2 -81.9 -18.1 17.9 2.1 -11.0 3 3 A L S S+ 0 0 80 4,-0.1 2,-0.1 129,-0.0 129,-0.0 -0.545 73.4 74.6 -80.9 79.9 19.9 4.4 -8.7 4 4 A G > - 0 0 2 -2,-1.9 4,-1.3 1,-0.1 3,-0.5 -0.503 63.8-147.6 171.0 118.4 17.3 5.0 -6.1 5 5 A S H >> S+ 0 0 9 126,-2.7 4,-1.3 1,-0.3 3,-0.6 0.917 106.9 51.5 -58.4 -44.6 15.7 3.1 -3.3 6 6 A K H 3> S+ 0 0 41 125,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.767 103.5 61.0 -64.6 -25.0 12.4 4.9 -3.8 7 7 A N H 3> S+ 0 0 53 -3,-0.5 4,-2.1 2,-0.2 5,-0.3 0.859 98.7 56.2 -71.0 -35.5 12.6 4.0 -7.5 8 8 A M H X S+ 0 0 2 -4,-2.7 4,-1.1 1,-0.2 3,-0.7 0.867 114.3 58.0 -72.8 -36.1 3.7 -0.6 -6.9 14 14 A R H 3X S+ 0 0 91 -4,-2.6 4,-0.9 -5,-0.3 -1,-0.2 0.826 96.8 63.4 -63.7 -30.4 3.2 1.0 -10.3 15 15 A A H 3< S+ 0 0 32 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.866 106.7 43.2 -61.4 -35.5 3.2 -2.4 -11.9 16 16 A M H X< S+ 0 0 28 -4,-0.7 3,-1.5 -3,-0.7 -1,-0.2 0.705 101.1 70.3 -82.7 -20.3 0.1 -3.3 -9.8 17 17 A T H >< S+ 0 0 15 -4,-1.1 3,-1.3 1,-0.3 -1,-0.2 0.760 89.4 63.0 -67.4 -24.0 -1.4 0.1 -10.7 18 18 A R T 3< S+ 0 0 162 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.602 99.6 54.8 -76.4 -10.3 -1.9 -1.1 -14.2 19 19 A N T < S+ 0 0 132 -3,-1.5 2,-0.3 -4,-0.1 -1,-0.3 0.160 107.4 60.5-107.0 15.5 -4.2 -3.8 -12.8 20 20 A Y < - 0 0 40 -3,-1.3 2,-0.3 3,-0.2 3,-0.1 -0.906 67.6-141.8-138.5 164.6 -6.4 -1.2 -11.1 21 21 A E S S+ 0 0 167 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.887 79.0 27.4-127.5 158.6 -8.6 1.8 -12.0 22 22 A H S S+ 0 0 143 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.537 104.2 97.6 68.8 7.1 -9.2 5.2 -10.4 23 23 A V + 0 0 14 -6,-0.2 2,-0.3 13,-0.1 -1,-0.2 -0.993 43.1 167.1-131.2 130.0 -5.8 4.8 -8.9 24 24 A D - 0 0 69 -2,-0.4 2,-1.1 7,-0.2 3,-0.2 -0.900 20.4-155.0-145.2 110.9 -2.5 6.3 -10.3 25 25 A I + 0 0 9 -2,-0.3 3,-0.1 1,-0.2 -8,-0.1 -0.735 31.0 152.5 -91.1 95.1 0.7 6.4 -8.2 26 26 A Q S S- 0 0 112 -2,-1.1 2,-0.3 1,-0.4 -1,-0.2 0.833 74.2 -4.5 -86.4 -38.1 2.7 9.3 -9.5 27 27 A N S > S- 0 0 68 -3,-0.2 2,-2.3 -17,-0.0 4,-0.7 -0.974 77.7 -98.4-151.9 159.2 4.5 9.8 -6.2 28 28 A F T 4 S+ 0 0 1 -2,-0.3 69,-0.3 -3,-0.1 70,-0.2 -0.397 111.3 37.3 -80.2 62.2 4.4 8.5 -2.6 29 29 A S T >4 S+ 0 0 18 -2,-2.3 3,-1.5 65,-0.1 4,-0.2 -0.118 115.2 31.4-163.6 -86.8 2.3 11.4 -1.4 30 30 A S G >4 S+ 0 0 73 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.868 116.7 58.2 -59.5 -38.8 -0.5 13.0 -3.5 31 31 A S G 3< S+ 0 0 7 -4,-0.7 -1,-0.3 1,-0.3 -7,-0.2 0.599 104.5 52.7 -69.7 -10.1 -1.3 9.7 -5.2 32 32 A W G X S+ 0 0 1 -3,-1.5 3,-1.0 1,-0.2 -1,-0.3 0.365 81.8 90.0-105.7 3.8 -1.9 8.2 -1.8 33 33 A S T < S+ 0 0 42 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.698 77.8 65.9 -72.2 -18.6 -4.4 10.9 -0.7 34 34 A S T 3 S- 0 0 37 -4,-0.3 2,-1.2 -3,-0.2 -1,-0.2 0.714 91.1-148.9 -75.2 -21.4 -7.2 8.8 -2.2 35 35 A G S X> S+ 0 0 0 -3,-1.0 3,-1.7 1,-0.1 4,-1.1 -0.141 79.3 94.1 80.4 -41.7 -6.6 6.1 0.4 36 36 A M H 3> S+ 0 0 7 -2,-1.2 4,-3.0 1,-0.3 5,-0.2 0.757 70.1 72.6 -52.5 -28.7 -7.7 3.4 -2.0 37 37 A A H 3> S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.884 97.3 47.6 -56.2 -41.0 -4.0 3.0 -2.9 38 38 A F H <> S+ 0 0 8 -3,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.949 114.2 45.2 -66.1 -49.2 -3.4 1.2 0.4 39 39 A C H X S+ 0 0 0 -4,-1.1 4,-3.0 1,-0.2 -2,-0.2 0.863 109.4 56.6 -63.2 -37.6 -6.3 -1.1 0.0 40 40 A A H X S+ 0 0 5 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.920 110.3 44.4 -60.3 -44.5 -5.5 -1.8 -3.6 41 41 A L H X S+ 0 0 12 -4,-1.8 4,-1.1 -5,-0.2 3,-0.3 0.933 115.8 46.1 -66.2 -47.9 -2.0 -3.0 -2.6 42 42 A I H X S+ 0 0 13 -4,-2.4 4,-3.2 1,-0.2 3,-0.5 0.902 111.0 53.2 -62.5 -41.4 -3.3 -5.1 0.4 43 43 A H H < S+ 0 0 50 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.794 102.1 60.1 -64.4 -29.3 -6.1 -6.6 -1.7 44 44 A K H < S+ 0 0 104 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.854 115.9 32.1 -68.1 -34.9 -3.5 -7.7 -4.3 45 45 A F H < S+ 0 0 35 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.824 129.0 37.9 -90.0 -36.5 -1.7 -9.8 -1.7 46 46 A F >X + 0 0 34 -4,-3.2 3,-1.3 -5,-0.2 4,-0.5 -0.823 58.9 171.4-120.3 91.7 -4.8 -10.7 0.4 47 47 A P T 34 S+ 0 0 87 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.786 84.0 55.0 -67.6 -26.8 -7.9 -11.4 -1.9 48 48 A E T 34 S+ 0 0 184 1,-0.2 3,-0.1 -3,-0.1 -5,-0.1 0.322 88.5 83.4 -89.3 8.0 -9.8 -12.7 1.1 49 49 A A T <4 S- 0 0 23 -3,-1.3 2,-0.3 1,-0.3 -1,-0.2 0.968 106.5 -41.3 -74.0 -55.8 -9.1 -9.5 3.1 50 50 A F < - 0 0 24 -4,-0.5 2,-0.8 -3,-0.2 -1,-0.3 -0.964 60.9 -86.8-164.2 172.4 -11.9 -7.3 1.7 51 51 A D > - 0 0 91 -2,-0.3 3,-0.8 1,-0.2 4,-0.3 -0.824 28.7-170.1 -96.9 108.8 -13.8 -6.5 -1.5 52 52 A Y G > S+ 0 0 30 -2,-0.8 3,-1.1 1,-0.2 -1,-0.2 0.825 87.3 58.4 -66.2 -31.5 -12.0 -3.6 -3.4 53 53 A A G 3 S+ 0 0 91 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.701 103.2 54.1 -71.7 -18.7 -15.0 -3.2 -5.7 54 54 A E G < S+ 0 0 141 -3,-0.8 2,-0.4 2,-0.1 -1,-0.3 0.486 89.5 101.6 -91.7 -4.7 -17.2 -2.5 -2.7 55 55 A L < - 0 0 23 -3,-1.1 5,-0.0 -4,-0.3 -3,-0.0 -0.650 57.4-158.6 -86.7 134.2 -14.9 0.2 -1.5 56 56 A D > - 0 0 74 -2,-0.4 3,-1.7 1,-0.1 7,-0.1 -0.858 25.0-130.3-111.4 146.9 -15.8 3.8 -2.2 57 57 A P G > S+ 0 0 56 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.723 112.3 59.9 -64.9 -19.6 -13.5 6.9 -2.2 58 58 A A G 3 S+ 0 0 86 1,-0.2 3,-0.4 2,-0.1 -3,-0.0 0.573 90.7 69.5 -83.5 -9.9 -16.0 8.5 0.1 59 59 A K G X> + 0 0 101 -3,-1.7 4,-2.6 1,-0.2 3,-1.2 0.022 60.2 125.5 -95.8 26.9 -15.4 5.7 2.6 60 60 A R H <> + 0 0 110 -3,-0.7 4,-1.8 1,-0.3 5,-0.3 0.802 64.2 63.9 -55.3 -32.7 -11.9 7.0 3.3 61 61 A R H 3> S+ 0 0 142 -3,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.865 116.8 28.0 -61.5 -37.1 -12.6 7.1 7.0 62 62 A H H <> S+ 0 0 130 -3,-1.2 4,-3.0 2,-0.1 -2,-0.2 0.694 110.6 72.7 -95.1 -23.1 -13.0 3.4 7.1 63 63 A N H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.940 99.9 43.2 -56.6 -53.6 -10.6 2.7 4.1 64 64 A F H X S+ 0 0 5 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.920 115.9 48.4 -60.8 -45.3 -7.5 3.5 6.1 65 65 A T H X S+ 0 0 43 -4,-0.5 4,-2.6 -5,-0.3 5,-0.4 0.904 112.0 49.9 -62.0 -42.2 -8.6 1.6 9.1 66 66 A L H X S+ 0 0 59 -4,-3.0 4,-2.1 2,-0.2 5,-0.3 0.935 114.1 44.6 -62.6 -47.1 -9.6 -1.4 6.9 67 67 A A H X S+ 0 0 2 -4,-2.6 4,-2.3 -5,-0.2 5,-0.2 0.968 119.1 40.7 -62.4 -54.6 -6.2 -1.4 5.2 68 68 A F H X S+ 0 0 5 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.948 118.2 45.4 -60.7 -54.2 -4.1 -0.9 8.3 69 69 A S H X S+ 0 0 52 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.909 115.3 46.3 -59.1 -45.4 -6.1 -3.3 10.6 70 70 A T H X S+ 0 0 17 -4,-2.1 4,-2.6 -5,-0.4 5,-0.3 0.905 113.4 49.2 -66.2 -39.7 -6.3 -6.1 8.0 71 71 A A H X S+ 0 0 2 -4,-2.3 4,-1.8 -5,-0.3 6,-1.1 0.872 115.2 44.2 -66.9 -35.9 -2.6 -5.8 7.1 72 72 A E H X S+ 0 0 95 -4,-2.3 4,-0.6 4,-0.3 -1,-0.2 0.767 114.8 50.7 -78.2 -25.6 -1.7 -5.9 10.8 73 73 A K H < S+ 0 0 167 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.856 125.1 23.9 -79.9 -37.9 -4.2 -8.8 11.4 74 74 A L H < S+ 0 0 85 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.636 141.9 20.6-103.9 -18.5 -3.0 -11.0 8.6 75 75 A A H < S- 0 0 2 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.1 0.265 93.1-125.6-134.1 11.6 0.6 -9.8 8.1 76 76 A D < - 0 0 102 -4,-0.6 -4,-0.3 -6,-0.2 -3,-0.1 0.832 40.6-172.0 42.7 45.2 1.4 -8.1 11.4 77 77 A C - 0 0 6 -6,-1.1 2,-0.5 -9,-0.2 -1,-0.2 -0.383 29.6-105.6 -67.9 140.8 2.4 -4.9 9.6 78 78 A A - 0 0 51 22,-0.2 2,-1.9 1,-0.1 3,-0.2 -0.548 26.8-134.6 -69.9 118.7 3.9 -2.2 11.7 79 79 A Q + 0 0 105 -2,-0.5 -1,-0.1 1,-0.2 21,-0.0 -0.542 47.9 149.3 -77.2 81.3 1.3 0.6 12.2 80 80 A L + 0 0 96 -2,-1.9 2,-0.3 16,-0.1 -1,-0.2 0.652 62.2 54.5 -86.0 -18.6 3.6 3.5 11.5 81 81 A L S S- 0 0 9 -3,-0.2 2,-0.3 16,-0.1 16,-0.0 -0.767 73.6-144.0-114.6 160.6 0.7 5.6 10.1 82 82 A E > - 0 0 128 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.911 16.5-132.8-125.8 153.9 -2.7 6.5 11.6 83 83 A V H > S+ 0 0 21 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.960 109.5 43.7 -66.7 -52.7 -6.1 6.9 10.1 84 84 A D H > S+ 0 0 102 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.911 115.1 50.4 -59.3 -45.1 -6.9 10.2 11.8 85 85 A D H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.937 112.2 45.6 -59.4 -50.4 -3.4 11.5 11.0 86 86 A M H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.889 115.8 45.4 -63.3 -42.4 -3.6 10.6 7.3 87 87 A V H < S+ 0 0 65 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.920 114.3 48.9 -68.1 -42.9 -7.1 12.0 6.8 88 88 A R H < S+ 0 0 174 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.877 120.4 35.8 -64.5 -40.9 -6.3 15.2 8.7 89 89 A L H < S- 0 0 99 -4,-2.4 2,-2.5 -5,-0.2 -1,-0.2 0.784 84.3-166.2 -83.1 -30.1 -3.1 15.8 6.7 90 90 A A S < S+ 0 0 43 -4,-2.3 -1,-0.1 -5,-0.3 -2,-0.1 -0.255 72.7 62.0 73.7 -51.8 -4.5 14.4 3.4 91 91 A V S S- 0 0 77 -2,-2.5 -61,-0.1 -3,-0.1 2,-0.1 -0.916 77.9-156.9-110.3 109.7 -1.0 14.3 2.0 92 92 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -60,-0.1 -0.391 27.2 -95.1 -81.2 160.8 1.4 11.9 3.8 93 93 A D > - 0 0 97 1,-0.1 4,-2.2 -2,-0.1 3,-0.2 -0.553 23.2-133.1 -77.6 140.1 5.2 12.2 3.8 94 94 A S H > S+ 0 0 24 -2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.816 107.0 55.5 -61.5 -31.2 7.0 10.0 1.2 95 95 A K H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 107.6 48.4 -70.0 -38.5 9.5 8.9 3.9 96 96 A C H > S+ 0 0 56 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.923 115.5 43.8 -66.5 -44.7 6.6 7.7 6.1 97 97 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 -69,-0.3 5,-0.3 0.922 112.8 52.6 -66.0 -44.3 5.0 5.8 3.3 98 98 A Y H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.935 110.8 46.5 -56.9 -49.9 8.3 4.4 2.1 99 99 A T H X S+ 0 0 33 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.877 111.9 52.1 -61.8 -38.4 9.2 3.1 5.5 100 100 A Y H X S+ 0 0 10 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.946 115.7 39.3 -63.2 -48.9 5.7 1.6 5.8 101 101 A I H X S+ 0 0 1 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.827 111.1 63.1 -69.8 -32.2 6.0 -0.2 2.5 102 102 A Q H X S+ 0 0 4 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.975 109.8 35.2 -55.9 -62.0 9.6 -1.1 3.3 103 103 A E H X S+ 0 0 52 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.845 117.7 55.3 -63.9 -34.3 8.9 -3.2 6.3 104 104 A L H X S+ 0 0 7 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.951 108.4 47.5 -62.5 -49.0 5.7 -4.5 4.7 105 105 A Y H X S+ 0 0 30 -4,-3.4 4,-2.6 1,-0.2 9,-0.2 0.937 112.6 49.0 -56.7 -50.5 7.7 -5.7 1.6 106 106 A R H X S+ 0 0 42 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.905 111.1 50.2 -57.2 -44.1 10.3 -7.4 3.8 107 107 A S H X S+ 0 0 17 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.861 111.7 48.4 -63.9 -36.4 7.6 -9.1 5.8 108 108 A L H <>S+ 0 0 2 -4,-2.2 5,-3.1 2,-0.2 6,-0.5 0.882 113.2 46.4 -72.6 -38.9 5.9 -10.3 2.7 109 109 A V H ><5S+ 0 0 14 -4,-2.6 3,-1.9 63,-0.3 -2,-0.2 0.917 110.0 52.4 -70.5 -42.3 9.2 -11.6 1.1 110 110 A Q H 3<5S+ 0 0 128 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.709 110.2 50.6 -66.8 -19.0 10.3 -13.4 4.3 111 111 A K T 3<5S- 0 0 98 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.290 121.0-110.3 -99.7 8.4 6.9 -15.1 4.4 112 112 A G T < 5S+ 0 0 52 -3,-1.9 -3,-0.2 59,-0.3 -2,-0.1 0.889 86.1 115.3 66.2 41.7 7.3 -16.2 0.8 113 113 A L S > 0 0 150 0, 0.0 3,-1.4 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 -36.9 34.3 7.9 7.1 122 83 B E H 3> + 0 0 126 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.726 360.0 74.5 -64.1 -21.9 31.1 9.8 6.2 123 84 B E H 3> S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.849 94.5 51.6 -60.0 -34.4 32.0 9.5 2.5 124 85 B I H <> S+ 0 0 36 -3,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.915 111.4 46.1 -68.8 -42.3 31.0 5.8 2.7 125 86 B R H X S+ 0 0 119 -4,-0.9 4,-2.2 1,-0.2 3,-0.3 0.924 112.6 50.0 -65.6 -45.1 27.6 6.7 4.3 126 87 B E H X S+ 0 0 80 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.854 103.4 61.0 -62.3 -35.6 27.0 9.4 1.8 127 88 B A H X S+ 0 0 16 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.890 113.2 36.3 -58.6 -40.4 27.8 7.0 -1.1 128 89 B F H X S+ 0 0 0 -4,-1.3 4,-3.1 -3,-0.3 3,-0.4 0.784 109.3 64.9 -81.4 -29.1 24.9 4.8 0.0 129 90 B R H < S+ 0 0 145 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.740 94.6 60.4 -65.0 -25.6 22.9 7.9 1.0 130 91 B V H < S+ 0 0 100 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.893 112.0 38.3 -68.5 -38.2 22.9 8.9 -2.7 131 92 B F H < S+ 0 0 15 -4,-0.6 -126,-2.7 -3,-0.4 2,-1.4 0.904 105.9 70.9 -77.1 -44.7 21.1 5.6 -3.5 132 93 B D < - 0 0 3 -4,-3.1 -1,-0.2 -128,-0.2 7,-0.1 -0.617 64.6-176.6 -76.9 94.7 18.9 5.7 -0.4 133 94 B K S S+ 0 0 99 -2,-1.4 -1,-0.2 1,-0.2 -4,-0.1 0.233 80.6 38.5 -80.2 15.6 16.6 8.5 -1.4 134 95 B D S S- 0 0 24 -5,-0.0 -1,-0.2 -39,-0.0 -2,-0.1 0.531 103.3-120.1-133.5 -27.4 14.9 8.4 2.0 135 96 B G + 0 0 40 3,-0.1 -2,-0.1 -6,-0.1 -6,-0.1 0.941 68.5 128.8 82.1 52.6 17.6 7.7 4.5 136 97 B N - 0 0 38 2,-0.2 3,-0.1 -7,-0.0 -7,-0.0 0.723 69.2-120.6-107.1 -33.7 16.4 4.5 6.0 137 98 B G S S+ 0 0 10 1,-0.3 40,-1.3 -9,-0.1 41,-0.6 0.498 76.1 106.7 103.9 6.6 19.4 2.3 5.7 138 99 B Y E +A 176 0A 59 38,-0.2 -1,-0.3 39,-0.1 38,-0.2 -0.975 35.0 149.5-124.5 129.3 17.9 -0.4 3.5 139 100 B I E -A 175 0A 4 36,-2.6 36,-3.0 -2,-0.4 2,-0.2 -0.723 45.8 -76.8-138.4-171.6 18.7 -1.0 -0.2 140 101 B S > - 0 0 16 -2,-0.2 4,-2.0 34,-0.2 34,-0.1 -0.561 31.8-122.4 -93.0 159.9 18.8 -3.8 -2.7 141 102 B A H > S+ 0 0 23 32,-0.3 4,-1.7 2,-0.2 5,-0.1 0.794 113.7 54.5 -69.1 -27.7 21.7 -6.3 -3.1 142 103 B A H > S+ 0 0 63 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.929 110.6 42.9 -71.5 -46.3 22.1 -5.2 -6.7 143 104 B E H > S+ 0 0 40 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.858 110.0 59.5 -67.7 -34.8 22.5 -1.5 -5.8 144 105 B L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 3,-0.4 0.933 104.8 47.9 -58.3 -49.2 24.8 -2.5 -2.9 145 106 B R H X S+ 0 0 85 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.856 108.4 56.3 -61.0 -35.6 27.3 -4.2 -5.2 146 107 B H H X S+ 0 0 93 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.841 107.6 47.8 -66.4 -34.5 27.1 -1.1 -7.5 147 108 B V H X S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.4 -2,-0.2 0.909 108.9 53.5 -72.6 -41.8 28.2 1.1 -4.6 148 109 B M H <>S+ 0 0 6 -4,-2.2 5,-1.3 1,-0.2 4,-0.3 0.894 113.4 42.6 -59.8 -41.2 31.0 -1.1 -3.6 149 110 B T H <5S+ 0 0 91 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.705 110.5 58.2 -78.1 -20.4 32.4 -1.1 -7.1 150 111 B N H <5S+ 0 0 106 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.834 97.4 60.0 -76.4 -33.1 31.8 2.7 -7.3 151 112 B L T <5S- 0 0 53 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.640 111.9-121.6 -69.3 -14.8 34.0 3.3 -4.2 152 113 B G T 5 - 0 0 55 -3,-0.3 -3,-0.2 -4,-0.3 -2,-0.1 0.817 45.4-179.5 76.7 31.2 36.8 1.8 -6.2 153 114 B E < - 0 0 97 -5,-1.3 -1,-0.1 1,-0.1 -5,-0.0 -0.240 33.9-128.6 -63.6 152.9 37.4 -0.9 -3.6 154 115 B K S S+ 0 0 207 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.018 71.4 113.4 -94.1 30.5 40.3 -3.4 -4.1 155 116 B L - 0 0 43 -7,-0.1 2,-0.1 1,-0.0 -3,-0.0 -0.820 62.7-126.4-106.2 143.2 38.1 -6.4 -3.5 156 117 B T > - 0 0 63 -2,-0.4 4,-2.0 1,-0.1 3,-0.1 -0.372 26.7-107.9 -81.7 163.7 37.1 -9.0 -6.2 157 118 B D H > S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.853 121.0 58.7 -57.6 -36.9 33.6 -10.1 -7.1 158 119 B E H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 105.6 46.9 -57.6 -49.0 34.3 -13.4 -5.4 159 120 B E H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.858 110.1 54.0 -63.1 -36.8 35.1 -11.6 -2.1 160 121 B V H X S+ 0 0 8 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.945 111.2 44.9 -61.7 -46.8 31.9 -9.6 -2.5 161 122 B D H X S+ 0 0 61 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.809 107.9 59.6 -66.9 -31.5 29.9 -12.8 -3.0 162 123 B E H X S+ 0 0 100 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.949 111.6 38.7 -61.3 -49.1 31.7 -14.3 -0.0 163 124 B M H >< S+ 0 0 75 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.880 115.0 55.1 -67.9 -38.5 30.5 -11.5 2.3 164 125 B I H >< S+ 0 0 22 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.888 104.0 53.7 -61.7 -40.7 27.1 -11.6 0.6 165 126 B R H 3< S+ 0 0 156 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.666 107.2 53.2 -69.5 -15.3 26.8 -15.3 1.2 166 127 B E T << S+ 0 0 177 -3,-0.8 -1,-0.3 -4,-0.5 2,-0.2 0.116 110.1 57.9-104.7 18.5 27.4 -14.5 4.9 167 128 B A S < S- 0 0 41 -3,-1.7 2,-0.7 -5,-0.1 8,-0.0 -0.780 97.1 -82.1-136.1 179.1 24.6 -12.0 5.0 168 129 B D + 0 0 123 -2,-0.2 8,-0.1 1,-0.2 -3,-0.1 -0.801 64.9 129.3 -93.3 115.9 20.9 -11.7 4.3 169 130 B I > + 0 0 44 -2,-0.7 2,-1.7 -4,-0.1 4,-0.7 0.578 68.7 39.5-125.7 -70.5 20.1 -11.3 0.6 170 131 B D T 4 S+ 0 0 127 1,-0.2 -2,-0.0 2,-0.1 -1,-0.0 -0.450 106.5 69.3 -87.7 63.5 17.5 -13.7 -0.7 171 132 B G T 4 S+ 0 0 26 -2,-1.7 -59,-0.3 -3,-0.1 -1,-0.2 0.435 113.4 0.2-138.1 -68.8 15.3 -13.5 2.4 172 133 B D T 4 S- 0 0 18 -3,-0.1 -63,-0.3 -63,-0.1 -62,-0.2 0.695 86.4-125.1-103.5 -27.6 13.5 -10.3 3.0 173 134 B G S < S+ 0 0 19 -4,-0.7 2,-0.6 -64,-0.1 -32,-0.3 0.117 80.7 92.5 106.6 -23.4 14.7 -8.3 0.0 174 135 B Q - 0 0 5 -34,-0.1 2,-0.5 -72,-0.1 -34,-0.2 -0.912 58.1-159.9-112.3 112.7 16.1 -5.2 1.8 175 136 B V E -A 139 0A 4 -36,-3.0 -36,-2.6 -2,-0.6 2,-0.6 -0.777 17.4-130.7 -94.1 124.6 19.8 -5.3 2.7 176 137 B N E >> -A 138 0A 55 -2,-0.5 3,-0.6 -38,-0.2 4,-0.6 -0.630 14.1-164.9 -75.0 115.5 21.0 -3.0 5.4 177 138 B Y H 3> S+ 0 0 13 -40,-1.3 4,-2.4 -2,-0.6 3,-0.3 0.723 79.9 77.3 -73.5 -19.9 24.0 -1.1 4.1 178 139 B E H 3> S+ 0 0 69 -41,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.870 90.2 55.4 -57.0 -38.7 24.9 -0.0 7.7 179 140 B E H <> S+ 0 0 103 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.894 109.8 45.5 -62.1 -40.5 26.3 -3.5 8.4 180 141 B F H X S+ 0 0 7 -4,-0.6 4,-2.7 -3,-0.3 -2,-0.2 0.874 110.4 53.7 -71.6 -38.8 28.6 -3.3 5.4 181 142 B V H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.956 111.8 44.4 -60.4 -50.6 29.8 0.3 6.2 182 143 B Q H X S+ 0 0 105 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.923 113.9 50.4 -59.8 -46.1 30.7 -0.8 9.8 183 144 B M H >X S+ 0 0 70 -4,-2.1 4,-1.2 1,-0.2 3,-0.6 0.906 111.1 48.9 -59.4 -43.9 32.4 -3.9 8.5 184 145 B M H 3< S+ 0 0 40 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.871 109.4 51.5 -65.5 -38.2 34.4 -1.9 6.0 185 146 B T H 3< S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.626 109.3 52.1 -74.7 -13.0 35.5 0.6 8.5 186 147 B A H << 0 0 76 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.694 360.0 360.0 -92.5 -24.1 36.7 -2.2 10.8 187 148 B K < 0 0 217 -4,-1.2 -3,-0.2 -3,-0.2 -4,-0.0 0.286 360.0 360.0-132.9 360.0 38.8 -3.8 8.0