==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 14-DEC-09 3L1P . COMPND 2 MOLECULE: POU DOMAIN, CLASS 5, TRANSCRIPTION FACTOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.VAHOKOSKI,M.R.GROVES,V.POGENBERG,M.WILMANNS . 292 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 69.9 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 . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 1 1 0 0 2 1 3 0 2 0 0 0 1 1 3 0 0 1 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 D >> 0 0 119 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 128.5 32.8 2.0 60.1 2 2 A M H 3> + 0 0 97 1,-0.3 4,-0.8 2,-0.2 3,-0.4 0.827 360.0 44.2 -54.9 -36.7 31.1 5.1 58.6 3 3 A K H 3> S+ 0 0 77 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.575 97.4 74.2 -87.4 -12.2 32.8 4.5 55.2 4 4 A A H <> S+ 0 0 58 -3,-1.0 4,-1.1 2,-0.2 -1,-0.2 0.725 95.5 51.9 -73.5 -24.1 32.2 0.7 55.3 5 5 A L H >X S+ 0 0 40 -4,-0.8 4,-3.2 -3,-0.4 3,-0.9 0.966 107.1 50.6 -69.6 -58.0 28.5 1.4 54.4 6 6 A Q H 3X S+ 0 0 39 -4,-0.8 4,-1.8 1,-0.3 -2,-0.2 0.729 107.7 56.5 -51.9 -26.9 29.4 3.6 51.4 7 7 A K H 3X S+ 0 0 58 -4,-1.1 4,-1.1 2,-0.2 -1,-0.3 0.897 113.1 38.5 -69.8 -43.0 31.7 0.7 50.3 8 8 A E H S+ 0 0 15 -4,-2.9 5,-1.9 -5,-0.2 4,-0.3 0.901 114.4 42.5 -46.4 -48.6 19.4 -3.0 34.8 21 21 A I H ><5S+ 0 0 27 -4,-2.8 3,-1.4 2,-0.2 -1,-0.2 0.952 112.9 48.6 -75.0 -48.6 21.4 -2.5 31.6 22 22 A T H 3<5S+ 0 0 107 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.885 113.0 49.6 -56.1 -41.5 22.2 -6.1 30.7 23 23 A L T 3<5S- 0 0 62 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.536 115.1-122.3 -76.4 -8.0 18.5 -7.1 31.2 24 24 A G T < 5 + 0 0 61 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.558 60.9 143.2 81.0 11.5 17.6 -4.1 29.0 25 25 A Y < - 0 0 22 -5,-1.9 -1,-0.2 -6,-0.2 2,-0.1 -0.625 41.6-139.2 -82.8 139.9 15.4 -2.2 31.5 26 26 A T > - 0 0 67 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.311 28.0-106.4 -81.5 178.2 15.4 1.6 31.7 27 27 A Q H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.877 121.9 53.9 -76.7 -39.9 15.3 3.5 35.0 28 28 A A H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.943 107.9 54.1 -51.6 -47.1 11.7 4.5 34.6 29 29 A D H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.910 109.8 44.9 -53.9 -49.8 11.0 0.8 34.1 30 30 A V H X S+ 0 0 0 -4,-1.5 4,-0.6 1,-0.2 3,-0.2 0.962 112.5 50.0 -62.9 -51.1 12.7 -0.1 37.4 31 31 A G H X S+ 0 0 0 -4,-2.7 11,-2.5 1,-0.3 4,-1.1 0.820 112.5 49.3 -58.1 -33.2 11.0 2.7 39.4 32 32 A L H X S+ 0 0 87 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.3 0.876 105.6 55.3 -75.0 -37.4 7.7 1.6 38.0 33 33 A T H X S+ 0 0 13 -4,-2.1 4,-1.0 2,-0.3 -1,-0.2 0.419 100.1 60.2 -82.1 2.7 8.2 -2.1 38.8 34 34 A L H X>S+ 0 0 0 -4,-0.6 4,-3.9 -3,-0.5 5,-1.0 0.803 103.4 51.6 -83.5 -43.4 8.8 -1.2 42.4 35 35 A G H X5S+ 0 0 11 -4,-1.1 4,-1.4 4,-0.2 -2,-0.3 0.954 112.5 46.5 -45.6 -52.5 5.3 0.2 42.2 36 36 A V H <5S+ 0 0 90 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.864 122.6 34.0 -60.0 -40.4 4.4 -3.2 40.8 37 37 A L H <5S+ 0 0 61 -4,-1.0 -2,-0.2 3,-0.1 -1,-0.2 0.800 132.8 18.8 -91.7 -33.5 6.3 -5.2 43.5 38 38 A F H <5S- 0 0 90 -4,-3.9 -3,-0.2 2,-0.1 -2,-0.1 0.591 103.0-103.7-118.5 -14.7 6.1 -3.2 46.8 39 39 A G S < - 0 0 59 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.353 24.5-110.9 -83.7 162.7 10.6 8.1 39.3 44 44 A Q H > S+ 0 0 88 1,-0.2 4,-4.0 2,-0.2 5,-0.3 0.964 120.6 57.2 -55.1 -49.8 13.5 7.8 37.0 45 45 A T H > S+ 0 0 71 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.917 106.6 48.4 -44.6 -52.3 15.1 10.7 38.8 46 46 A T H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.979 116.0 42.6 -56.1 -53.3 14.9 8.8 42.0 47 47 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.877 113.3 53.1 -60.6 -38.6 16.4 5.7 40.5 48 48 A S H X S+ 0 0 51 -4,-4.0 4,-0.9 2,-0.2 -1,-0.2 0.935 111.3 45.7 -61.2 -47.1 19.0 7.7 38.6 49 49 A R H ><>S+ 0 0 126 -4,-2.8 5,-3.1 -5,-0.3 6,-0.5 0.874 111.5 52.2 -65.8 -40.4 20.1 9.4 41.9 50 50 A F H ><5S+ 0 0 0 -4,-2.7 3,-1.4 -5,-0.3 -1,-0.2 0.910 107.4 52.4 -60.8 -42.3 20.2 6.1 43.7 51 51 A E H 3<5S+ 0 0 20 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.726 113.4 44.7 -65.2 -21.4 22.4 4.7 41.0 52 52 A A T <<5S- 0 0 49 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.184 111.0-116.6-106.4 13.7 24.8 7.6 41.4 53 53 A L T < 5S+ 0 0 62 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.949 71.9 140.2 40.6 54.9 24.8 7.6 45.2 54 54 A Q < + 0 0 135 -5,-3.1 -4,-0.2 2,-0.1 2,-0.1 0.511 42.9 84.0 -98.5 -11.5 23.3 11.0 44.9 55 55 A L S S- 0 0 28 -6,-0.5 2,-0.0 1,-0.1 -9,-0.0 -0.484 92.7 -86.9 -89.2 162.6 20.9 10.5 47.7 56 56 A S > - 0 0 74 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.342 41.6-112.4 -60.5 149.6 21.5 11.0 51.5 57 57 A L H > S+ 0 0 109 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.801 118.6 51.5 -57.6 -33.9 23.0 8.0 53.2 58 58 A K H > S+ 0 0 98 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.952 110.8 48.0 -68.5 -48.7 19.8 7.5 55.2 59 59 A N H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.862 105.7 57.7 -57.4 -42.9 17.6 7.6 52.0 60 60 A M H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.898 107.2 49.6 -55.8 -40.9 19.9 5.2 50.2 61 61 A S H < S+ 0 0 63 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.790 105.2 53.8 -77.2 -30.4 19.3 2.6 52.9 62 62 A K H < S+ 0 0 93 -4,-1.4 4,-0.4 -3,-0.2 -1,-0.2 0.895 117.3 40.5 -64.4 -39.3 15.5 2.9 53.0 63 63 A L H >X S+ 0 0 2 -4,-1.8 4,-1.9 1,-0.2 3,-1.1 0.855 97.3 78.7 -76.4 -38.3 15.5 2.2 49.2 64 64 A R H 3X S+ 0 0 76 -4,-2.5 4,-3.4 1,-0.3 5,-0.2 0.836 89.2 52.3 -43.5 -54.3 18.2 -0.5 49.1 65 65 A P H 3> S+ 0 0 76 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.856 111.1 49.2 -55.4 -35.6 16.0 -3.4 50.3 66 66 A L H <> S+ 0 0 43 -3,-1.1 4,-1.6 -4,-0.4 -2,-0.2 0.931 114.4 44.3 -66.3 -45.9 13.5 -2.7 47.6 67 67 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.906 110.0 54.8 -68.0 -42.3 16.1 -2.4 44.9 68 68 A E H X S+ 0 0 40 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.952 108.9 49.1 -52.2 -51.5 17.9 -5.6 46.1 69 69 A K H X S+ 0 0 54 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.831 106.7 55.9 -58.7 -35.3 14.6 -7.5 45.8 70 70 A W H X S+ 0 0 0 -4,-1.6 4,-3.3 2,-0.2 -1,-0.2 0.930 108.7 46.9 -63.1 -47.4 14.1 -6.1 42.2 71 71 A V H X S+ 0 0 16 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.922 112.3 51.4 -53.7 -48.4 17.6 -7.5 41.3 72 72 A E H < S+ 0 0 56 -4,-2.5 -2,-0.2 1,-0.2 4,-0.2 0.865 116.5 40.5 -59.1 -39.3 16.5 -10.8 43.0 73 73 A E H >X S+ 0 0 79 -4,-2.4 3,-1.7 1,-0.2 4,-1.4 0.926 109.0 57.4 -73.9 -47.3 13.2 -10.8 41.0 74 74 A A H 3< S+ 0 0 0 -4,-3.3 4,-0.2 1,-0.3 -1,-0.2 0.548 90.9 72.0 -71.7 -9.1 14.5 -9.7 37.6 75 75 A D T 3< S+ 0 0 99 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.1 0.741 119.4 8.9 -71.6 -23.2 17.1 -12.5 37.3 76 76 A N T <4 S+ 0 0 124 -3,-1.7 3,-0.4 -4,-0.2 2,-0.2 0.748 121.8 52.8-120.4 -64.1 14.2 -15.0 36.6 77 77 A N >X + 0 0 89 -4,-1.4 3,-1.2 1,-0.2 4,-1.0 0.180 65.3 134.7 -74.2 19.4 10.7 -13.7 36.1 78 78 A E H 3> + 0 0 41 1,-0.3 4,-1.2 -2,-0.2 -1,-0.2 0.692 65.2 55.3 -43.2 -38.2 11.8 -11.3 33.3 79 79 A N H 3> S+ 0 0 82 -3,-0.4 4,-0.6 1,-0.2 -1,-0.3 0.919 109.0 44.8 -64.7 -45.5 8.9 -12.2 30.9 80 80 A L H <4 S+ 0 0 137 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.609 106.7 61.2 -80.1 -13.6 6.1 -11.4 33.3 81 81 A Q H < S+ 0 0 23 -4,-1.0 3,-0.5 1,-0.2 4,-0.5 0.869 111.4 36.5 -77.1 -40.8 7.6 -8.2 34.5 82 82 A E H < S+ 0 0 62 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.510 107.4 69.0 -89.0 -7.3 7.5 -6.5 31.1 83 83 A I S < S+ 0 0 60 -4,-0.6 -1,-0.2 -5,-0.1 -2,-0.1 0.516 88.8 68.3 -86.3 -6.6 4.2 -8.2 30.2 84 84 A S S S- 0 0 67 -3,-0.5 2,-0.3 1,-0.3 -2,-0.1 0.973 110.7 -10.2 -77.8 -59.3 2.4 -6.0 32.8 85 85 A K 0 0 57 -4,-0.5 -1,-0.3 151,-0.0 151,-0.1 -0.998 360.0 360.0-148.5 144.7 2.5 -2.5 31.4 86 86 A S 0 0 72 -2,-0.3 151,-0.1 149,-0.2 -4,-0.0 -0.935 360.0 360.0-164.4 360.0 4.2 -0.4 28.6 87 ! 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 88 90 A V 0 0 188 0, 0.0 2,-0.2 0, 0.0 -52,-0.0 0.000 360.0 360.0 360.0 118.5 -2.7 -1.9 38.6 89 91 A Q - 0 0 79 144,-0.1 2,-0.1 -53,-0.0 -49,-0.0 -0.834 360.0-146.8-168.8 128.2 -1.9 1.4 40.4 90 92 A A - 0 0 24 -2,-0.2 3,-0.1 -51,-0.1 -1,-0.0 -0.442 29.6 -94.8-146.2 -66.1 -0.6 2.0 42.9 91 93 A R S S+ 0 0 196 -2,-0.1 2,-0.2 -51,-0.0 -2,-0.0 0.573 71.6 120.1-102.9 140.9 -0.7 4.0 45.1 92 94 A K - 0 0 36 -52,-0.1 -2,-0.1 -50,-0.0 -51,-0.1 -0.596 45.5 -23.5 156.3 139.3 1.9 6.7 44.2 93 95 A R + 0 0 113 -2,-0.2 2,-0.0 1,-0.1 -53,-0.0 -0.002 27.3 172.4-167.6 94.9 2.7 9.6 43.6 94 96 A K - 0 0 110 2,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.306 7.7-174.5 -79.8 153.4 1.3 12.9 42.3 95 97 A R - 0 0 226 -2,-0.0 2,-0.5 2,-0.0 -1,-0.0 -0.915 26.5-126.7-146.1 112.5 3.0 16.3 42.2 96 98 A T - 0 0 85 -2,-0.3 2,-0.9 1,-0.1 72,-0.0 -0.463 16.5-162.0 -67.3 113.3 1.1 19.4 41.1 97 99 A S - 0 0 64 -2,-0.5 2,-0.2 71,-0.1 74,-0.1 -0.850 16.9-155.1 -92.7 101.8 2.9 21.3 38.3 98 100 A I - 0 0 56 -2,-0.9 32,-0.0 1,-0.1 70,-0.0 -0.541 19.6-104.1 -77.7 143.4 1.3 24.8 38.4 99 101 A E > - 0 0 42 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.206 29.3-112.0 -60.5 155.4 1.2 27.0 35.3 100 102 A N H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.796 113.9 55.3 -61.7 -35.9 3.6 30.0 35.0 101 103 A R H > S+ 0 0 75 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.904 110.4 45.6 -64.8 -44.8 0.9 32.7 35.3 102 104 A V H > S+ 0 0 24 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.974 111.6 51.1 -62.7 -57.0 -0.4 31.2 38.6 103 105 A R H X S+ 0 0 33 -4,-2.3 4,-2.3 2,-0.2 3,-0.2 0.889 114.0 44.9 -48.1 -48.9 3.1 30.8 40.1 104 106 A W H X S+ 0 0 182 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.968 113.7 47.9 -61.8 -53.3 3.9 34.5 39.2 105 107 A S H < S+ 0 0 49 -4,-2.8 4,-0.4 1,-0.3 -1,-0.2 0.628 113.4 50.5 -65.1 -12.3 0.5 35.7 40.5 106 108 A L H < S+ 0 0 2 -4,-1.7 3,-0.4 -3,-0.2 -1,-0.3 0.774 106.6 54.2 -84.3 -35.5 1.3 33.6 43.6 107 109 A E H >< S+ 0 0 54 -4,-2.3 3,-0.9 -5,-0.3 -2,-0.2 0.725 92.9 73.7 -68.1 -22.6 4.7 35.2 43.8 108 110 A T T 3< S+ 0 0 76 -4,-1.5 2,-0.7 1,-0.3 4,-0.4 0.921 84.4 62.8 -58.3 -46.7 3.0 38.6 43.8 109 111 A M T 3> S+ 0 0 35 -3,-0.4 4,-1.3 -4,-0.4 -1,-0.3 0.169 96.9 106.4 -62.4 25.9 1.8 38.1 47.4 110 112 A F T <4 S+ 0 0 19 -3,-0.9 -1,-0.0 -2,-0.7 -4,-0.0 -0.917 85.8 7.5-161.4 120.6 5.6 38.1 47.9 111 113 A L T 4 S+ 0 0 136 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.1 -0.583 125.0 71.2 -96.5 59.0 7.2 40.1 49.1 112 114 A K T 4 S- 0 0 104 -4,-0.4 -2,-0.2 -5,-0.2 -3,-0.2 0.904 118.7 -2.5 -83.3 -58.2 3.8 41.7 49.9 113 115 A S < - 0 0 44 -4,-1.3 -1,-0.2 1,-0.1 -4,-0.0 -0.816 56.9-175.0-144.8 104.9 2.8 39.2 52.7 114 116 A P S S+ 0 0 54 0, 0.0 29,-0.1 0, 0.0 -1,-0.1 0.718 83.4 42.2 -62.6 -31.6 4.9 36.1 53.7 115 117 A K + 0 0 163 1,-0.2 25,-0.0 28,-0.0 24,-0.0 -0.605 67.0 176.7-126.9 72.8 2.4 34.5 56.1 116 118 A P - 0 0 11 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.788 24.3-151.0 -45.9 -52.9 -1.2 34.8 54.7 117 119 A S >> - 0 0 69 1,-0.2 4,-1.6 2,-0.1 3,-1.2 0.168 42.3 -56.9 82.0 154.0 -3.2 33.0 57.3 118 120 A L H 3> S+ 0 0 91 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.669 131.2 58.3 -34.0 -40.7 -6.5 31.0 56.8 119 121 A Q H >> S+ 0 0 72 -3,-0.2 4,-1.3 1,-0.2 3,-0.6 0.945 110.7 37.9 -61.7 -54.2 -8.3 34.0 55.2 120 122 A Q H <> S+ 0 0 88 -3,-1.2 4,-1.8 -4,-0.4 5,-0.2 0.855 110.4 61.8 -68.2 -35.0 -6.0 34.6 52.3 121 123 A I H 3X S+ 0 0 15 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.731 103.2 53.0 -63.0 -23.6 -5.4 30.9 51.8 122 124 A T H S+ 0 0 4 -4,-0.7 5,-2.9 -3,-0.3 -1,-0.2 0.958 112.0 35.0 -64.2 -57.1 -7.3 28.6 46.2 126 128 A N H ><5S+ 0 0 90 -4,-1.4 3,-0.8 3,-0.2 -2,-0.2 0.869 117.5 55.3 -66.6 -39.5 -10.7 28.8 44.5 127 129 A Q H 3<5S+ 0 0 142 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.927 113.7 38.1 -58.7 -50.8 -9.7 31.8 42.3 128 130 A L T 3<5S- 0 0 32 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.303 113.9-116.5 -88.8 9.1 -6.6 30.1 40.8 129 131 A G T < 5S+ 0 0 66 -3,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.882 72.6 122.1 59.4 45.0 -8.4 26.7 40.6 130 132 A L < - 0 0 32 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.984 68.9 -94.3-135.6 147.7 -6.2 24.8 43.0 131 133 A E > - 0 0 112 -2,-0.3 4,-1.2 1,-0.1 3,-0.4 -0.248 32.8-122.3 -56.6 143.3 -6.8 22.9 46.3 132 134 A K H > S+ 0 0 107 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.634 110.7 65.2 -65.5 -16.1 -6.2 25.0 49.5 133 135 A D H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.1 -1,-0.2 0.962 99.0 52.0 -64.6 -53.6 -3.6 22.4 50.6 134 136 A V H > S+ 0 0 33 -3,-0.4 4,-3.0 1,-0.2 -2,-0.2 0.878 108.5 50.1 -49.4 -48.7 -1.4 23.4 47.6 135 137 A V H X S+ 0 0 0 -4,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.925 110.4 48.3 -62.4 -49.2 -1.5 27.1 48.5 136 138 A R H X S+ 0 0 132 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.939 115.2 46.5 -52.6 -52.7 -0.6 26.6 52.2 137 139 A V H X S+ 0 0 75 -4,-2.5 4,-3.2 2,-0.2 3,-0.3 0.912 110.5 53.3 -56.8 -45.8 2.3 24.4 51.2 138 140 A W H X S+ 0 0 41 -4,-3.0 4,-3.0 1,-0.3 -2,-0.2 0.930 109.2 47.6 -57.6 -49.4 3.4 26.8 48.5 139 141 A F H X S+ 0 0 5 -4,-2.7 4,-1.0 2,-0.2 -1,-0.3 0.736 112.9 50.3 -66.6 -24.0 3.6 29.7 51.0 140 142 A S H X S+ 0 0 31 -4,-1.4 4,-1.9 -3,-0.3 3,-0.4 0.954 111.8 45.7 -75.1 -53.3 5.5 27.5 53.4 141 143 A N H X S+ 0 0 93 -4,-3.2 4,-2.1 1,-0.3 3,-0.3 0.927 111.7 52.4 -54.5 -47.7 8.0 26.4 50.8 142 144 A R H X S+ 0 0 71 -4,-3.0 4,-1.2 1,-0.2 -1,-0.3 0.844 106.7 54.7 -56.7 -36.7 8.4 30.0 49.5 143 145 A R H X S+ 0 0 81 -4,-1.0 4,-1.5 -3,-0.4 -1,-0.2 0.882 106.7 50.4 -64.4 -39.8 9.1 31.0 53.1 144 146 A Q H X S+ 0 0 130 -4,-1.9 4,-1.2 -3,-0.3 -2,-0.2 0.898 103.2 57.9 -68.6 -39.9 11.9 28.4 53.5 145 147 A K H < S+ 0 0 63 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.851 104.9 56.5 -56.0 -35.1 13.6 29.6 50.2 146 148 A G H < S+ 0 0 48 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.993 104.7 45.7 -53.7 -77.6 13.7 33.0 52.0 147 149 A K H < 0 0 107 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.620 360.0 360.0 -46.9 -16.1 15.6 31.9 55.1 148 150 A R < 0 0 115 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.669 360.0 360.0 -83.6 360.0 17.9 30.0 52.6 149 !* 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 0.0 150 3 B K 0 0 137 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.8 5.2 32.6 8.7 151 4 B A > + 0 0 88 3,-0.1 4,-1.0 2,-0.1 3,-0.2 0.903 360.0 32.2 -88.1 -51.0 2.1 30.5 7.9 152 5 B L H >> S+ 0 0 40 1,-0.2 4,-2.9 2,-0.2 3,-0.5 0.967 112.7 56.2 -75.2 -56.2 2.7 27.3 9.9 153 6 B Q H 3> S+ 0 0 58 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.548 104.6 59.4 -59.5 -8.4 4.7 28.6 13.0 154 7 B K H 3> S+ 0 0 63 -3,-0.2 4,-1.2 2,-0.1 -1,-0.2 0.923 113.5 32.6 -79.6 -54.0 1.7 30.9 13.6 155 8 B E H S+ 0 0 18 -4,-2.9 5,-2.4 1,-0.2 -1,-0.2 0.896 115.6 41.3 -48.9 -46.0 -2.5 18.9 29.7 168 21 B I H ><5S+ 0 0 43 -4,-2.7 3,-1.7 3,-0.2 -2,-0.2 0.912 108.8 58.2 -75.2 -42.6 -2.2 20.9 32.9 169 22 B T H 3<5S+ 0 0 97 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.954 111.4 43.2 -43.2 -58.6 -5.9 21.5 33.4 170 23 B L T 3<5S- 0 0 42 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.336 115.0-116.3 -79.1 6.5 -6.5 17.7 33.4 171 24 B G T < 5 + 0 0 59 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.757 62.7 148.2 66.6 26.6 -3.5 17.0 35.7 172 25 B Y < - 0 0 7 -5,-2.4 2,-0.2 -6,-0.2 -1,-0.2 -0.670 38.9-138.8 -89.3 147.9 -1.6 15.0 33.0 173 26 B T > - 0 0 68 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.666 27.8-107.7 -96.2 161.5 2.2 14.9 32.8 174 27 B Q H > S+ 0 0 39 -2,-0.2 4,-2.3 2,-0.2 5,-0.2 0.880 121.4 50.2 -56.8 -43.3 4.2 15.0 29.5 175 28 B A H > S+ 0 0 40 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.973 107.5 55.3 -58.1 -54.8 5.1 11.3 29.8 176 29 B D H > S+ 0 0 58 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.901 108.8 46.2 -41.1 -57.8 1.5 10.4 30.4 177 30 B V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.961 116.1 45.3 -53.8 -55.5 0.3 12.1 27.2 178 31 B G H X S+ 0 0 0 -4,-2.3 11,-1.9 1,-0.3 4,-0.7 0.856 115.7 47.6 -55.3 -40.0 3.1 10.4 25.2 179 32 B L H X S+ 0 0 64 -4,-3.6 4,-1.1 9,-0.2 3,-0.4 0.852 111.6 49.6 -72.5 -35.3 2.4 7.1 26.9 180 33 B T H X S+ 0 0 3 -4,-3.2 4,-2.9 -5,-0.3 5,-0.3 0.810 97.5 68.3 -75.8 -27.6 -1.4 7.5 26.3 181 34 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 6,-0.9 0.855 100.8 51.3 -53.6 -34.6 -0.7 8.3 22.6 182 35 B G H X S+ 0 0 14 -4,-0.7 4,-2.8 -3,-0.4 -1,-0.2 0.930 108.4 49.0 -66.9 -47.4 0.4 4.7 22.5 183 36 B V H < S+ 0 0 67 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.925 119.6 38.3 -57.3 -49.0 -2.9 3.4 24.1 184 37 B L H < S+ 0 0 54 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.869 135.7 15.5 -69.7 -42.2 -5.0 5.5 21.7 185 38 B F H < S- 0 0 79 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.447 94.4-115.4-123.1 -0.7 -3.0 5.0 18.5 186 39 B G S < S+ 0 0 42 -4,-2.8 2,-0.4 -5,-0.2 -4,-0.2 0.584 89.8 101.1 72.7 11.5 -0.6 2.2 19.0 187 40 B K - 0 0 40 -6,-0.9 51,-0.1 -7,-0.1 -1,-0.1 -0.799 59.5-160.4-132.8 91.4 2.3 4.6 18.7 188 41 B V - 0 0 38 49,-0.9 2,-0.3 -2,-0.4 -9,-0.2 -0.194 2.3-158.2 -73.7 158.0 3.8 5.6 22.0 189 42 B F - 0 0 57 -11,-1.9 -8,-0.1 -14,-0.2 -7,-0.1 -0.998 15.7-122.2-142.8 137.6 6.0 8.7 22.6 190 43 B S > - 0 0 69 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.292 31.2-110.6 -73.0 161.6 8.6 9.6 25.3 191 44 B Q H > S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.905 117.2 63.3 -60.9 -37.1 8.1 12.7 27.5 192 45 B T H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 102.4 48.4 -47.7 -53.1 11.1 14.2 25.7 193 46 B T H >> S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.968 112.8 48.5 -52.4 -54.8 9.2 14.2 22.4 194 47 B I H 3X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.3 -1,-0.2 0.814 110.7 50.5 -57.7 -35.1 6.2 15.7 24.1 195 48 B S H 3X S+ 0 0 43 -4,-2.9 4,-1.2 2,-0.2 -1,-0.3 0.883 108.9 51.1 -70.3 -37.8 8.3 18.5 25.7 196 49 B R H S+ 0 0 130 -4,-2.5 5,-2.2 -3,-0.5 4,-0.8 0.917 109.4 51.6 -68.6 -39.6 9.9 19.4 22.4 197 50 B F H ><5S+ 0 0 0 -4,-2.3 3,-1.8 -5,-0.2 -2,-0.2 0.982 111.5 45.5 -52.4 -60.8 6.5 19.6 20.8 198 51 B E H 3<5S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.673 117.8 45.7 -60.6 -18.7 5.2 22.0 23.5 199 52 B A H 3<5S- 0 0 48 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.430 106.8-124.5-102.8 -3.9 8.4 24.0 23.3 200 53 B L T <<5S+ 0 0 73 -3,-1.8 -3,-0.2 -4,-0.8 -4,-0.1 0.806 70.6 130.8 61.8 31.6 8.6 24.2 19.5 201 54 B Q < + 0 0 151 -5,-2.2 -4,-0.2 -6,-0.2 2,-0.1 0.605 47.6 89.4 -88.7 -11.0 12.1 22.7 19.5 202 55 B L S S- 0 0 30 -6,-0.7 2,-0.1 1,-0.1 5,-0.0 -0.455 90.5 -95.4 -79.5 156.9 11.1 20.1 16.8 203 56 B S > - 0 0 76 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.338 38.6-107.6 -67.3 155.4 11.4 20.8 13.1 204 57 B L H > S+ 0 0 111 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.873 118.7 49.5 -57.6 -45.2 8.3 22.1 11.3 205 58 B K H > S+ 0 0 89 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.921 111.6 50.4 -59.0 -45.7 7.6 18.8 9.4 206 59 B N H > S+ 0 0 68 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.862 110.5 48.4 -61.6 -40.8 8.0 16.9 12.7 207 60 B M H X S+ 0 0 6 -4,-2.3 4,-1.5 2,-0.2 3,-0.3 0.931 114.2 48.0 -58.8 -47.9 5.6 19.2 14.5 208 61 B S H < S+ 0 0 59 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.860 109.6 51.0 -64.8 -40.0 3.2 18.8 11.5 209 62 B K H < S+ 0 0 89 -4,-2.9 -1,-0.2 1,-0.2 4,-0.2 0.784 117.0 42.2 -66.0 -27.5 3.5 15.0 11.5 210 63 B L H X S+ 0 0 4 -4,-1.3 4,-1.9 -3,-0.3 3,-0.4 0.600 93.4 80.2 -96.3 -17.0 2.7 15.0 15.3 211 64 B R H X S+ 0 0 69 -4,-1.5 4,-3.5 1,-0.2 5,-0.3 0.929 88.5 54.9 -60.9 -48.7 -0.1 17.6 15.4 212 65 B P H > S+ 0 0 74 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.797 109.5 48.7 -55.2 -31.1 -2.9 15.1 14.3 213 66 B L H > S+ 0 0 42 -3,-0.4 4,-1.7 -4,-0.2 -2,-0.2 0.932 116.2 41.0 -73.4 -44.7 -2.0 12.7 17.1 214 67 B L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -3,-0.2 0.873 113.0 53.8 -74.2 -36.8 -2.0 15.4 19.8 215 68 B E H X S+ 0 0 71 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.935 110.7 48.2 -57.0 -47.9 -5.1 17.1 18.4 216 69 B K H X S+ 0 0 42 -4,-1.6 4,-0.8 -5,-0.3 -2,-0.2 0.839 109.9 53.4 -59.5 -36.1 -6.7 13.6 18.6 217 70 B W H >X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 3,-1.0 0.966 106.5 51.2 -65.9 -51.9 -5.5 13.3 22.1 218 71 B V H >X S+ 0 0 16 -4,-2.8 4,-1.4 1,-0.3 3,-0.9 0.951 108.1 50.8 -46.3 -62.2 -7.0 16.6 23.3 219 72 B E H 3< S+ 0 0 118 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.650 110.7 50.9 -60.3 -17.1 -10.4 15.8 21.9 220 73 B E H XX S+ 0 0 75 -3,-1.0 4,-1.1 -4,-0.8 3,-1.0 0.852 106.6 53.4 -80.2 -39.2 -10.4 12.5 23.7 221 74 B A H << S+ 0 0 1 -4,-2.0 4,-0.3 -3,-0.9 -2,-0.2 0.750 91.2 75.1 -70.6 -24.1 -9.4 14.0 27.1 222 75 B D T 3< S+ 0 0 83 -4,-1.4 -1,-0.2 2,-0.1 -3,-0.1 0.346 115.0 12.2 -71.9 7.6 -12.3 16.5 27.2 223 76 B N T <4 S+ 0 0 113 -3,-1.0 2,-0.7 0, 0.0 3,-0.3 0.444 129.9 36.5-144.2 -67.2 -14.9 13.8 28.0 224 77 B N X + 0 0 74 -4,-1.1 4,-0.5 1,-0.2 -2,-0.1 -0.456 66.7 145.7 -98.9 57.5 -13.6 10.4 29.1 225 78 B E H > + 0 0 21 -2,-0.7 4,-1.3 -4,-0.3 3,-0.4 0.820 67.8 53.7 -64.4 -33.2 -10.6 11.6 31.0 226 79 B N H 4 S+ 0 0 125 -3,-0.3 -1,-0.2 1,-0.2 5,-0.1 0.858 99.5 57.0 -74.0 -38.2 -10.9 8.8 33.7 227 80 B L H 4 S+ 0 0 132 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.572 108.9 49.9 -74.7 -8.1 -10.9 5.8 31.3 228 81 B Q H >X S+ 0 0 6 -4,-0.5 4,-1.5 -3,-0.4 3,-0.9 0.793 104.2 57.4 -84.7 -42.1 -7.5 7.1 30.0 229 82 B E T 3< S+ 0 0 100 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.321 116.5 37.4 -70.3 9.1 -6.3 7.5 33.6 230 83 B I T 34 S+ 0 0 70 3,-0.0 -1,-0.2 2,-0.0 -2,-0.2 0.380 109.9 58.2-136.7 -9.1 -7.0 3.7 34.0 231 84 B S T <4 S+ 0 0 60 -3,-0.9 -2,-0.2 -5,-0.1 -3,-0.1 0.751 115.7 30.2 -96.6 -31.1 -6.1 2.3 30.5 232 85 B K < 0 0 20 -4,-1.5 -146,-0.2 -147,-0.1 -3,-0.1 0.913 360.0 360.0 -92.9 -60.4 -2.4 3.4 30.5 233 86 B S 0 0 77 -5,-0.4 -144,-0.1 -148,-0.1 -147,-0.1 0.224 360.0 360.0 -86.5 360.0 -1.3 3.4 34.1 234 ! 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 0.0 235 91 B Q 0 0 114 0, 0.0 2,-0.4 0, 0.0 -149,-0.2 0.000 360.0 360.0 360.0 128.4 1.6 -5.1 25.1 236 92 B A + 0 0 73 -151,-0.1 2,-0.3 -48,-0.0 3,-0.1 -0.990 360.0 176.2-142.3 129.8 4.2 -2.7 23.6 237 93 B R + 0 0 136 -2,-0.4 -49,-0.9 1,-0.1 -151,-0.0 -0.743 44.9 160.1-111.4 74.4 5.0 -0.8 20.4 238 94 B K - 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