==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 28-JUL-02 1M98 . COMPND 2 MOLECULE: ORANGE CAROTENOID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROSPIRA MAXIMA; . AUTHOR C.A.KERFELD,M.R.SAWAYA,B.VISHNU,D.KROGMANN,T.O.YEATES . 630 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 12.1 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 46 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 2 0 2 0 1 1 3 3 4 0 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 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 PARALLEL BRIDGES PER LADDER . 4 2 0 0 0 0 2 0 2 2 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 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 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 2 A P 0 0 109 0, 0.0 2,-0.3 0, 0.0 262,-0.1 0.000 360.0 360.0 360.0 -63.6 16.9 8.8 -11.1 2 3 A F - 0 0 19 260,-0.1 2,-0.3 4,-0.0 3,-0.0 -0.694 360.0-169.4 -94.5 146.7 19.3 7.4 -8.6 3 4 A T > - 0 0 69 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.753 42.5 -99.0-117.5 169.3 20.8 9.2 -5.6 4 5 A I H > S+ 0 0 35 -2,-0.3 4,-1.2 1,-0.2 3,-0.2 0.949 124.0 54.5 -57.1 -48.5 23.5 7.8 -3.5 5 6 A D H 4 S+ 0 0 50 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.901 109.8 47.5 -53.7 -40.4 21.1 6.7 -0.8 6 7 A T H >4 S+ 0 0 57 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.847 104.3 60.6 -68.7 -36.3 19.1 4.7 -3.4 7 8 A A H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.737 89.2 72.4 -57.2 -28.6 22.3 3.1 -4.8 8 9 A R T 3< S+ 0 0 27 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.794 93.3 56.6 -61.3 -27.0 23.0 1.6 -1.4 9 10 A S T < S+ 0 0 29 -3,-1.2 -1,-0.3 -4,-0.4 2,-0.2 0.126 75.1 128.7 -88.5 8.6 20.1 -0.8 -2.0 10 11 A I S < S+ 0 0 5 -3,-1.8 4,-0.1 1,-0.2 -3,-0.0 -0.542 77.3 10.6 -71.5 143.2 21.4 -2.3 -5.3 11 12 A F S > S- 0 0 17 -2,-0.2 3,-2.2 1,-0.1 -1,-0.2 0.958 77.0-172.4 56.1 60.4 21.5 -6.1 -5.4 12 13 A P T 3 S+ 0 0 69 0, 0.0 437,-2.3 0, 0.0 438,-0.6 0.549 73.0 69.2 -65.5 -14.8 19.5 -6.5 -2.1 13 14 A E T 3 + 0 0 111 435,-0.2 2,-0.9 436,-0.1 -2,-0.1 0.389 67.9 116.1 -84.5 4.1 20.0 -10.2 -1.9 14 15 A T < - 0 0 7 -3,-2.2 2,-0.9 -4,-0.1 436,-0.2 -0.610 60.7-147.9 -73.8 109.9 23.8 -9.8 -1.2 15 16 A L - 0 0 52 -2,-0.9 293,-2.1 434,-0.1 294,-0.3 -0.673 16.0-162.3 -89.0 102.6 24.1 -11.1 2.4 16 17 A A B -A 307 0A 13 -2,-0.9 2,-2.1 291,-0.3 291,-0.3 -0.408 30.9-103.5 -76.3 159.0 26.9 -9.2 4.2 17 18 A A > + 0 0 2 289,-3.5 3,-2.2 1,-0.2 290,-0.1 -0.339 51.3 160.0 -83.2 70.0 28.6 -10.3 7.3 18 19 A D T 3> + 0 0 15 -2,-2.1 4,-1.7 1,-0.3 -1,-0.2 0.536 58.1 86.8 -74.6 0.3 26.8 -8.0 9.7 19 20 A V H 3> S+ 0 0 42 2,-0.2 4,-2.3 3,-0.2 -1,-0.3 0.659 82.9 65.5 -63.3 -14.0 27.8 -10.3 12.5 20 21 A V H <> S+ 0 0 0 -3,-2.2 4,-2.3 2,-0.2 5,-0.3 0.990 106.3 35.2 -74.4 -60.1 31.0 -8.0 12.4 21 22 A P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.853 118.1 58.3 -58.6 -32.1 29.3 -4.8 13.5 22 23 A A H X S+ 0 0 7 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.937 108.2 41.9 -61.3 -51.5 27.1 -7.0 15.7 23 24 A T H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.837 114.9 52.2 -67.4 -34.9 30.1 -8.4 17.6 24 25 A I H X S+ 0 0 14 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.926 106.1 53.7 -64.4 -45.0 31.7 -4.9 17.8 25 26 A A H < S+ 0 0 16 -4,-2.6 4,-0.5 -5,-0.3 -2,-0.2 0.936 111.0 46.7 -59.1 -35.4 28.6 -3.5 19.2 26 27 A R H >< S+ 0 0 37 -4,-1.7 3,-1.3 1,-0.2 4,-0.3 0.916 108.8 55.3 -70.6 -39.6 28.7 -6.1 21.8 27 28 A F H >< S+ 0 0 7 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.772 99.6 60.9 -62.1 -33.0 32.4 -5.5 22.5 28 29 A K T 3< S+ 0 0 73 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.653 92.0 65.6 -75.5 -13.4 31.8 -1.9 23.2 29 30 A Q T < S+ 0 0 59 -3,-1.3 -1,-0.3 -4,-0.5 2,-0.2 0.625 89.2 89.3 -81.1 -17.1 29.5 -2.6 26.1 30 31 A L S < S- 0 0 11 -3,-1.1 296,-0.1 -4,-0.3 5,-0.0 -0.483 87.2 -94.6 -80.7 151.2 32.4 -4.1 28.1 31 32 A S > - 0 0 9 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.078 37.3-110.2 -54.8 160.9 34.8 -2.4 30.4 32 33 A A H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.916 118.2 53.5 -68.3 -35.8 38.1 -1.3 29.0 33 34 A E H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 112.1 46.1 -67.4 -34.6 40.1 -4.0 30.9 34 35 A D H > S+ 0 0 7 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.962 109.1 55.3 -67.9 -49.3 37.8 -6.7 29.5 35 36 A Q H X S+ 0 0 13 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.854 111.6 44.4 -49.5 -42.5 38.1 -5.2 26.0 36 37 A L H X S+ 0 0 27 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.871 113.3 48.2 -75.4 -40.5 41.8 -5.4 26.1 37 38 A A H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.959 109.8 53.0 -67.8 -45.3 42.0 -8.9 27.6 38 39 A L H X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.933 110.0 47.3 -52.0 -50.9 39.5 -10.3 25.1 39 40 A I H X S+ 0 0 26 -4,-1.7 4,-2.7 -5,-0.3 5,-0.2 0.902 109.9 53.8 -61.4 -37.4 41.5 -8.9 22.1 40 41 A W H X S+ 0 0 48 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.910 112.6 43.5 -60.0 -45.6 44.7 -10.3 23.6 41 42 A F H X S+ 0 0 57 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.846 113.8 50.7 -70.4 -35.5 43.2 -13.7 23.9 42 43 A A H X S+ 0 0 4 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.865 112.7 45.7 -71.5 -37.9 41.6 -13.6 20.4 43 44 A Y H X S+ 0 0 81 -4,-2.7 4,-3.2 -5,-0.2 -2,-0.2 0.903 108.1 57.6 -71.4 -38.4 44.7 -12.5 18.8 44 45 A L H < S+ 0 0 89 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.935 112.8 38.1 -61.0 -49.7 46.8 -15.1 20.5 45 46 A E H >X S+ 0 0 100 -4,-1.6 3,-1.5 1,-0.2 4,-0.5 0.909 115.5 54.7 -67.1 -42.6 44.8 -18.1 19.3 46 47 A M H >X S+ 0 0 11 -4,-1.8 4,-3.1 1,-0.3 3,-2.0 0.906 98.6 62.8 -57.4 -41.2 44.4 -16.4 15.9 47 48 A G H 3< S+ 0 0 43 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.732 94.8 64.3 -56.5 -19.7 48.1 -16.2 15.7 48 49 A K H <4 S+ 0 0 159 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.743 118.8 19.5 -74.5 -24.9 48.1 -19.9 15.8 49 50 A T H << S+ 0 0 102 -3,-2.0 2,-0.4 -4,-0.5 -2,-0.2 0.696 126.2 46.5-119.1 -19.0 46.3 -20.3 12.5 50 51 A I < - 0 0 14 -4,-3.1 2,-0.5 -5,-0.2 -1,-0.3 -0.978 68.1-151.6-130.3 132.6 46.8 -16.9 10.8 51 52 A T - 0 0 87 -2,-0.4 231,-0.2 228,-0.2 2,-0.1 -0.883 6.8-145.7-118.0 127.9 50.0 -15.0 10.6 52 53 A I - 0 0 42 -2,-0.5 2,-0.5 1,-0.1 227,-0.2 -0.420 18.7-120.7 -86.3 150.0 50.4 -11.3 10.3 53 54 A A - 0 0 50 225,-1.3 3,-0.1 224,-0.2 227,-0.1 -0.855 32.9-118.8 -91.9 129.8 53.1 -9.5 8.4 54 55 A A - 0 0 64 -2,-0.5 53,-0.1 1,-0.1 -1,-0.0 -0.397 33.6-106.4 -67.8 138.2 55.2 -7.4 10.6 55 56 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 223,-0.0 -0.302 34.5-123.6 -69.9 146.7 55.0 -3.7 9.7 56 57 A G >> - 0 0 48 -3,-0.1 4,-2.2 1,-0.1 3,-1.1 -0.050 31.1 -93.1 -79.5-173.2 58.0 -2.2 7.9 57 58 A A H 3> S+ 0 0 75 1,-0.3 4,-2.5 2,-0.2 -1,-0.1 0.893 120.0 66.3 -70.2 -35.7 60.1 0.8 9.1 58 59 A A H 34 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.555 112.0 36.1 -63.6 -9.0 58.1 3.3 7.0 59 60 A N H X> S+ 0 0 8 -3,-1.1 3,-1.2 116,-0.1 4,-0.6 0.753 111.8 56.1-105.4 -49.8 55.1 2.5 9.2 60 61 A M H >X S+ 0 0 60 -4,-2.2 4,-1.7 1,-0.3 3,-1.2 0.857 93.8 71.7 -57.3 -35.7 56.8 2.0 12.5 61 62 A Q H 3X S+ 0 0 102 -4,-2.5 4,-0.6 1,-0.3 -1,-0.3 0.799 92.0 55.7 -51.0 -39.8 58.4 5.5 12.4 62 63 A F H <4 S+ 0 0 60 -3,-1.2 4,-0.3 1,-0.2 -1,-0.3 0.853 118.0 32.9 -64.3 -36.8 55.1 7.4 13.0 63 64 A A H S+ 0 0 6 -4,-0.3 4,-2.1 -3,-0.3 5,-0.2 0.956 111.2 50.2 -58.1 -49.0 54.7 7.1 21.2 67 68 A L H X S+ 0 0 12 -4,-2.6 4,-4.5 1,-0.2 5,-0.2 0.924 108.2 52.5 -54.8 -48.0 55.9 3.5 21.7 68 69 A Q H X S+ 0 0 92 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.916 106.8 53.3 -56.9 -44.1 59.2 4.6 23.3 69 70 A E H >X S+ 0 0 93 -4,-2.1 3,-1.2 2,-0.2 4,-0.7 0.968 115.7 39.1 -55.7 -57.4 57.3 6.8 25.8 70 71 A I H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.3 -2,-0.2 0.960 108.9 62.1 -55.3 -51.4 55.2 3.8 26.8 71 72 A R H 3< S+ 0 0 105 -4,-4.5 -1,-0.3 1,-0.3 -2,-0.2 0.795 111.6 40.1 -49.3 -22.0 58.2 1.5 26.6 72 73 A Q H << S+ 0 0 137 -4,-1.4 -1,-0.3 -3,-1.2 -2,-0.2 0.490 94.1 99.1-108.3 -2.1 59.7 3.7 29.4 73 74 A M S << S- 0 0 59 -3,-2.0 -3,-0.0 -4,-0.7 3,-0.0 -0.115 82.0 -94.0 -69.8 178.8 56.6 4.2 31.6 74 75 A T > - 0 0 64 1,-0.1 4,-2.7 47,-0.0 5,-0.2 -0.463 37.8-104.6 -81.7 162.9 56.0 2.2 34.7 75 76 A P H > S+ 0 0 88 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.925 124.4 49.2 -52.7 -45.7 53.8 -0.9 34.6 76 77 A L H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.919 113.6 48.1 -63.5 -36.4 50.9 1.0 36.3 77 78 A Q H > S+ 0 0 92 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.883 110.5 50.8 -67.8 -39.3 51.4 3.8 33.8 78 79 A Q H X S+ 0 0 8 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.904 111.3 47.2 -64.2 -43.4 51.5 1.5 30.7 79 80 A T H X S+ 0 0 59 -4,-2.2 4,-3.2 1,-0.2 3,-0.3 0.948 109.5 53.7 -66.2 -46.1 48.4 -0.3 31.7 80 81 A Q H X S+ 0 0 95 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.820 108.0 51.4 -53.3 -39.6 46.6 3.0 32.3 81 82 A A H X S+ 0 0 10 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.835 111.6 45.5 -69.9 -40.2 47.6 4.2 28.8 82 83 A M H X S+ 0 0 9 -4,-1.8 4,-1.7 -3,-0.3 -2,-0.2 0.968 113.5 50.0 -68.2 -46.3 46.3 1.1 27.2 83 84 A C H X S+ 0 0 19 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.863 110.4 51.3 -57.1 -41.2 43.1 1.3 29.3 84 85 A D H X>S+ 0 0 32 -4,-2.1 5,-1.7 -5,-0.2 4,-1.0 0.931 105.1 56.8 -64.7 -41.9 42.7 5.0 28.3 85 86 A L H <5S+ 0 0 0 -4,-2.0 76,-3.6 1,-0.2 3,-0.5 0.910 110.8 42.5 -55.7 -39.4 43.1 4.0 24.6 86 87 A A H <5S+ 0 0 8 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.823 112.6 52.5 -79.6 -29.6 40.1 1.6 24.8 87 88 A N H <5S- 0 0 33 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.503 105.0-129.2 -79.1 -11.1 38.0 4.0 26.8 88 89 A R T <5 + 0 0 79 -4,-1.0 75,-0.6 -3,-0.5 -3,-0.2 0.843 47.1 170.1 68.1 34.8 38.5 6.7 24.3 89 90 A T < - 0 0 49 -5,-1.7 2,-1.1 -6,-0.1 -1,-0.2 -0.475 41.9-100.6 -87.0 153.5 39.5 9.0 27.1 90 91 A D + 0 0 90 -2,-0.2 -1,-0.1 4,-0.1 3,-0.1 -0.578 67.2 126.6 -77.1 98.6 41.0 12.5 26.5 91 92 A T > - 0 0 37 -2,-1.1 4,-2.2 1,-0.1 5,-0.3 -0.957 70.0-100.9-143.0 165.9 44.8 12.3 27.0 92 93 A P H > S+ 0 0 104 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.925 121.3 46.6 -55.2 -49.1 47.9 13.2 24.9 93 94 A I H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.837 112.1 52.1 -65.0 -29.4 48.6 9.7 23.8 94 95 A C H > S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 68,-1.4 0.883 110.6 48.2 -71.7 -35.3 45.0 9.2 22.9 95 96 A R H X S+ 0 0 92 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.869 112.5 47.7 -71.1 -38.6 45.0 12.4 20.8 96 97 A T H >< S+ 0 0 54 -4,-2.8 3,-1.7 -5,-0.3 4,-0.4 0.981 112.2 50.3 -62.3 -51.6 48.2 11.3 19.1 97 98 A Y H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.890 105.1 57.4 -54.1 -40.4 46.6 7.9 18.4 98 99 A A H 3< S+ 0 0 16 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.741 98.2 60.9 -68.6 -20.5 43.5 9.4 17.0 99 100 A S T << S+ 0 0 11 -3,-1.7 74,-3.3 -4,-0.8 -1,-0.3 0.632 90.3 93.4 -74.7 -13.7 45.5 11.3 14.4 100 101 A W B < S-b 173 0B 13 -3,-1.6 74,-0.2 -4,-0.4 71,-0.0 -0.550 76.2-118.7 -89.9 147.8 46.8 8.1 12.8 101 102 A S > - 0 0 7 72,-2.0 4,-2.3 -2,-0.2 3,-0.2 -0.223 40.4 -97.7 -73.9 168.3 45.4 6.0 9.9 102 103 A P H > S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.859 122.3 54.9 -55.4 -42.2 44.3 2.5 10.6 103 104 A N H > S+ 0 0 17 141,-0.3 4,-2.5 2,-0.2 5,-0.2 0.915 108.7 48.3 -61.1 -38.6 47.6 0.9 9.4 104 105 A I H > S+ 0 0 0 -3,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.965 112.6 48.3 -64.7 -54.8 49.6 3.1 11.8 105 106 A K H X S+ 0 0 18 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.866 112.2 48.8 -49.6 -44.8 47.4 2.2 14.7 106 107 A L H X S+ 0 0 29 -4,-2.5 4,-3.3 2,-0.2 -1,-0.2 0.911 110.9 50.1 -64.5 -41.1 47.6 -1.5 13.8 107 108 A G H X S+ 0 0 3 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.950 110.3 53.3 -62.5 -43.3 51.4 -1.3 13.5 108 109 A F H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.965 112.0 41.6 -52.5 -60.3 51.3 0.4 16.9 109 110 A W H X S+ 0 0 42 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.885 109.2 59.9 -63.8 -34.0 49.3 -2.4 18.5 110 111 A Y H X S+ 0 0 42 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.952 108.9 43.8 -52.4 -53.6 51.3 -5.0 16.8 111 112 A E H X S+ 0 0 22 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.911 109.0 55.3 -60.2 -49.8 54.5 -3.7 18.5 112 113 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.963 105.8 56.3 -51.0 -46.1 52.9 -3.3 21.9 113 114 A G H X S+ 0 0 12 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.926 106.6 46.4 -46.8 -50.6 52.0 -6.9 21.6 114 115 A R H X S+ 0 0 88 -4,-1.5 4,-2.4 1,-0.3 -1,-0.2 0.951 110.0 54.1 -65.2 -43.2 55.5 -8.0 21.1 115 116 A F H <>S+ 0 0 27 -4,-2.7 5,-2.8 1,-0.3 6,-0.9 0.862 109.9 49.4 -50.7 -44.1 56.6 -5.8 24.0 116 117 A M H ><5S+ 0 0 13 -4,-2.6 3,-1.1 1,-0.2 -1,-0.3 0.889 109.2 49.6 -64.1 -45.7 54.0 -7.6 26.1 117 118 A D H 3<5S+ 0 0 124 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.855 114.5 47.8 -62.0 -33.2 55.3 -11.0 24.9 118 119 A Q T 3<5S- 0 0 111 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.362 112.9-117.5 -90.9 2.3 58.8 -9.8 25.9 119 120 A G T < 5S+ 0 0 58 -3,-1.1 -3,-0.2 2,-0.2 -4,-0.1 0.588 84.7 117.3 72.9 12.6 57.8 -8.4 29.3 120 121 A L S - 0 0 90 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.348 36.3 -94.1 -31.6 172.0 47.5 -11.1 33.8 126 127 A E T 3 S+ 0 0 181 1,-0.3 2,-1.2 -3,-0.1 -2,-0.0 0.955 109.8 6.2 -63.0 -91.7 47.6 -14.9 34.1 127 128 A G T 3 S- 0 0 50 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.429 84.0-177.9 -94.9 58.6 44.2 -16.3 34.4 128 129 A Y < - 0 0 51 -2,-1.2 2,-0.7 -3,-0.6 -4,-0.0 -0.313 23.9-130.2 -53.5 143.2 42.5 -12.9 33.8 129 130 A K - 0 0 121 6,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.925 14.3-150.4-107.6 108.7 38.8 -13.5 34.2 130 131 A L - 0 0 9 -2,-0.7 -96,-0.0 1,-0.1 5,-0.0 -0.534 28.5-107.3 -71.6 146.2 36.7 -12.1 31.4 131 132 A S > - 0 0 18 -2,-0.2 4,-1.9 1,-0.1 199,-0.2 -0.115 37.6 -99.5 -61.3 172.2 33.2 -11.1 32.4 132 133 A A H > S+ 0 0 17 197,-2.5 4,-2.1 1,-0.2 5,-0.2 0.954 123.6 49.0 -66.0 -53.5 30.4 -13.4 31.2 133 134 A N H > S+ 0 0 17 198,-0.4 4,-2.2 196,-0.4 -1,-0.2 0.875 110.0 52.5 -54.4 -39.2 29.4 -11.3 28.4 134 135 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 106.3 54.8 -64.2 -37.8 33.0 -11.0 27.3 135 136 A N H X S+ 0 0 78 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.927 109.9 44.8 -61.4 -44.1 33.3 -14.8 27.3 136 137 A A H X S+ 0 0 39 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.934 110.5 55.3 -67.3 -38.3 30.4 -15.2 25.0 137 138 A I H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.915 108.4 48.5 -60.5 -40.4 31.8 -12.4 22.8 138 139 A L H X S+ 0 0 17 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.893 107.1 55.3 -63.6 -44.8 35.1 -14.3 22.5 139 140 A V H X S+ 0 0 100 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.905 107.6 50.4 -55.3 -43.9 33.3 -17.5 21.7 140 141 A T H >X S+ 0 0 36 -4,-2.4 4,-1.2 1,-0.2 3,-0.7 0.913 108.2 52.3 -64.0 -39.1 31.5 -15.7 18.8 141 142 A I H >< S+ 0 0 4 -4,-1.7 3,-0.7 1,-0.3 -2,-0.2 0.942 108.7 50.4 -64.1 -41.0 34.8 -14.3 17.5 142 143 A Q H 3< S+ 0 0 110 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.636 109.9 52.5 -67.3 -20.3 36.3 -17.8 17.5 143 144 A G H << S+ 0 0 67 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.631 94.6 78.6 -91.2 -17.8 33.3 -19.1 15.6 144 145 A I S << S- 0 0 27 -4,-1.2 0, 0.0 -3,-0.7 0, 0.0 -0.346 91.6 -84.0 -88.5 170.2 33.2 -16.7 12.7 145 146 A D > - 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0 0 30 -68,-1.4 2,-0.6 -71,-0.2 -73,-0.1 -0.345 68.5-125.1 -63.9 135.4 40.2 10.2 21.4 163 164 A D - 0 0 66 -75,-0.6 3,-0.3 1,-0.1 -1,-0.1 -0.790 27.6-176.4 -82.6 123.6 36.9 10.3 19.6 164 165 A T > + 0 0 46 -2,-0.6 3,-1.3 1,-0.2 -1,-0.1 0.125 51.6 109.0-106.5 18.8 37.4 13.1 17.0 165 166 A S T 3 S+ 0 0 87 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.800 74.9 54.3 -67.3 -26.1 33.8 12.9 15.8 166 167 A K T 3 S+ 0 0 155 -3,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.413 92.1 94.2 -87.4 4.0 32.9 16.3 17.4 167 168 A L < - 0 0 71 -3,-1.3 3,-0.1 1,-0.1 -3,-0.0 -0.859 63.4-151.8-106.1 130.8 35.7 18.1 15.7 168 169 A G S S+ 0 0 94 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.784 87.8 15.1 -65.5 -27.8 35.4 20.0 12.4 169 170 A S + 0 0 104 -3,-0.0 2,-0.3 2,-0.0 -1,-0.2 -1.000 65.1 174.8-149.3 146.7 39.1 19.3 11.7 170 171 A Y - 0 0 34 -2,-0.3 -6,-0.0 -3,-0.1 0, 0.0 -0.994 39.2 -95.7-153.1 146.0 41.9 17.0 13.0 171 172 A Q - 0 0 114 -2,-0.3 2,-0.4 1,-0.1 -2,-0.0 -0.307 37.1-157.8 -58.4 140.4 45.4 16.2 12.2 172 173 A R - 0 0 130 2,-0.0 2,-0.6 -72,-0.0 -72,-0.2 -0.979 7.2-169.3-124.9 120.4 45.8 13.1 10.0 173 174 A V B +b 100 0B 45 -74,-3.3 -72,-2.0 -2,-0.4 2,-0.3 -0.923 18.0 165.3-111.0 119.1 49.0 11.1 9.9 174 175 A A - 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0 0 28 1,-0.2 4,-1.8 2,-0.1 3,-0.3 -0.333 51.5-143.6 -54.7 124.0 32.9 -3.6 -18.5 197 198 A S H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.779 94.6 58.6 -69.5 -26.3 36.2 -1.7 -18.8 198 199 A T H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 108.4 44.7 -64.8 -45.7 35.5 0.6 -15.9 199 200 A V H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.869 114.4 49.0 -63.0 -40.9 35.2 -2.3 -13.5 200 201 A L H X S+ 0 0 41 -4,-1.8 4,-2.6 2,-0.2 -11,-0.3 0.932 113.8 46.1 -64.0 -44.7 38.2 -4.0 -14.9 201 202 A Q H X S+ 0 0 76 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.785 107.5 58.0 -72.5 -32.8 40.2 -0.8 -14.7 202 203 A Y H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.985 112.2 41.3 -56.7 -55.7 38.9 -0.3 -11.1 203 204 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 48,-0.3 0.913 118.1 45.1 -59.3 -46.9 40.4 -3.6 -10.1 204 205 A D H X S+ 0 0 8 -4,-2.6 4,-0.9 2,-0.2 6,-0.2 0.942 113.9 48.5 -69.2 -44.8 43.6 -3.3 -12.0 205 206 A N H ><>S+ 0 0 13 -4,-2.6 5,-2.3 1,-0.2 3,-0.8 0.904 112.5 48.8 -59.2 -43.4 44.3 0.3 -10.9 206 207 A L H ><5S+ 0 0 6 -4,-2.7 3,-1.6 -5,-0.3 43,-0.3 0.941 108.3 54.1 -66.4 -40.6 43.6 -0.6 -7.4 207 208 A N H 3<5S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.623 112.5 44.6 -63.1 -17.6 45.9 -3.7 -7.6 208 209 A A T <<5S- 0 0 1 -4,-0.9 -27,-1.1 -3,-0.8 -1,-0.3 0.302 111.0-119.3-105.2 6.7 48.7 -1.4 -8.8 209 210 A N T < 5 + 0 0 20 -3,-1.6 2,-1.7 -4,-0.3 -3,-0.2 0.767 61.5 153.2 57.8 26.4 48.1 1.3 -6.2 210 211 A D >< + 0 0 6 -5,-2.3 4,-2.1 -6,-0.2 3,-0.2 -0.523 8.1 162.3 -84.4 75.8 47.4 3.6 -9.2 211 212 A F H > + 0 0 5 -2,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.737 66.3 56.7 -69.9 -32.3 45.0 5.9 -7.3 212 213 A D H > S+ 0 0 96 2,-0.2 4,-1.2 -3,-0.2 -1,-0.2 0.892 114.2 40.0 -65.2 -40.2 45.2 8.9 -9.8 213 214 A N H 4 S+ 0 0 80 -3,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.908 114.6 56.1 -78.4 -32.0 44.0 6.7 -12.6 214 215 A L H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.945 105.2 48.8 -61.0 -49.1 41.6 4.9 -10.2 215 216 A I H >< S+ 0 0 15 -4,-2.5 3,-2.3 1,-0.3 -1,-0.2 0.841 98.2 69.7 -65.9 -28.3 39.8 8.1 -9.2 216 217 A S T 3< S+ 0 0 57 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.704 90.2 64.1 -56.7 -24.4 39.4 9.2 -12.8 217 218 A L T < S+ 0 0 12 -3,-1.7 82,-2.6 -4,-0.5 2,-0.3 0.491 90.1 86.1 -78.1 -7.7 36.9 6.3 -13.1 218 219 A F E < S-e 299 0D 3 -3,-2.3 82,-0.2 80,-0.2 2,-0.1 -0.774 79.9-121.0 -97.4 146.1 34.5 8.0 -10.7 219 220 A A E > - 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0 0 7 -3,-1.9 2,-1.0 -4,-0.1 -198,-0.4 -0.564 61.7-144.5 -67.6 123.1 25.7 -10.9 35.1 332 16 B L - 0 0 50 -2,-0.4 293,-2.9 -200,-0.1 294,-0.3 -0.722 16.4-163.6-100.2 98.1 24.7 -11.8 31.5 333 17 B A B -J 624 0E 17 -2,-1.0 2,-1.5 291,-0.3 291,-0.3 -0.364 29.7-108.0 -74.2 161.2 23.2 -8.8 29.8 334 18 B A > + 0 0 2 289,-2.4 3,-2.5 1,-0.2 290,-0.1 -0.430 47.4 163.0 -95.0 67.3 21.2 -9.0 26.6 335 19 B D T 3> + 0 0 14 -2,-1.5 4,-2.7 1,-0.3 -1,-0.2 0.505 58.1 88.9 -70.3 -4.5 23.8 -7.6 24.3 336 20 B V H 3> S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.736 80.5 64.9 -63.1 -17.0 21.8 -9.0 21.5 337 21 B V H <> S+ 0 0 0 -3,-2.5 4,-2.7 2,-0.2 5,-0.2 0.996 106.7 36.7 -67.2 -61.4 20.0 -5.7 21.7 338 22 B P H > S+ 0 0 13 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.871 117.2 55.1 -59.1 -36.6 23.1 -3.6 20.7 339 23 B A H X S+ 0 0 8 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.971 110.8 43.0 -59.8 -50.7 24.1 -6.3 18.3 340 24 B T H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.919 112.2 53.5 -60.8 -42.2 20.8 -6.3 16.5 341 25 B I H X S+ 0 0 16 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.883 107.3 52.8 -58.5 -41.1 20.6 -2.5 16.4 342 26 B A H X S+ 0 0 12 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.873 107.8 50.1 -64.9 -37.9 24.0 -2.3 14.9 343 27 B R H >< S+ 0 0 38 -4,-1.7 3,-1.1 1,-0.2 4,-0.4 0.951 110.0 51.6 -63.4 -49.8 22.9 -4.7 12.1 344 28 B F H >< S+ 0 0 12 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.840 100.8 61.8 -51.3 -41.9 19.9 -2.5 11.5 345 29 B K H 3< S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.790 95.7 62.7 -62.5 -23.3 22.1 0.6 11.2 346 30 B Q T << S+ 0 0 58 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.651 88.9 91.1 -74.8 -19.5 23.8 -0.9 8.2 347 31 B L S < S- 0 0 11 -3,-1.6 -338,-0.1 -4,-0.4 2,-0.1 -0.348 85.9 -96.0 -77.5 161.8 20.6 -1.0 6.2 348 32 B S > - 0 0 9 1,-0.1 4,-3.3 -340,-0.1 5,-0.3 -0.344 36.9-109.4 -67.7 152.3 19.2 1.6 3.9 349 33 B A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.875 118.2 50.9 -50.7 -45.2 16.7 4.1 5.2 350 34 B E H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 113.6 44.1 -61.7 -46.1 13.8 2.5 3.2 351 35 B D H > S+ 0 0 6 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.931 111.0 54.8 -62.8 -47.4 14.6 -1.0 4.4 352 36 B Q H X S+ 0 0 14 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.864 110.8 45.9 -50.1 -41.8 15.1 0.3 8.0 353 37 B L H X S+ 0 0 25 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.932 114.5 46.4 -75.9 -39.9 11.6 1.8 7.9 354 38 B A H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.917 109.3 55.6 -66.3 -40.9 9.9 -1.2 6.3 355 39 B L H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.935 109.9 45.0 -60.1 -48.1 11.7 -3.5 8.8 356 40 B I H X S+ 0 0 31 -4,-1.8 4,-2.9 -5,-0.2 5,-0.4 0.915 109.4 57.6 -62.3 -40.6 10.3 -1.6 11.8 357 41 B W H X S+ 0 0 56 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.963 112.9 38.8 -50.8 -56.1 6.9 -1.6 10.1 358 42 B F H X S+ 0 0 67 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.905 116.5 50.9 -64.1 -42.9 6.8 -5.4 9.9 359 43 B A H X S+ 0 0 3 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.939 113.0 45.1 -61.2 -44.2 8.4 -5.9 13.3 360 44 B Y H X S+ 0 0 82 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.920 113.5 51.0 -64.9 -41.0 5.9 -3.6 15.1 361 45 B L H < S+ 0 0 90 -4,-2.0 4,-0.5 -5,-0.4 -2,-0.2 0.969 111.9 45.9 -66.9 -48.1 3.0 -5.1 13.2 362 46 B E H >< S+ 0 0 92 -4,-3.0 3,-1.3 1,-0.2 4,-0.4 0.914 111.7 53.8 -59.0 -37.4 4.1 -8.6 14.2 363 47 B M H >X S+ 0 0 12 -4,-2.4 4,-2.0 1,-0.3 3,-1.8 0.913 99.3 61.9 -66.9 -37.2 4.6 -7.5 17.7 364 48 B G T 3< S+ 0 0 46 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.550 84.7 76.7 -67.4 -9.8 1.2 -6.1 18.0 365 49 B K T <4 S+ 0 0 166 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.810 120.3 8.5 -73.7 -23.2 -0.4 -9.4 17.5 366 50 B T T <4 S+ 0 0 117 -3,-1.8 2,-0.5 -4,-0.4 -2,-0.2 0.448 124.8 64.6-130.5 -11.9 0.4 -10.4 21.1 367 51 B I < - 0 0 17 -4,-2.0 2,-0.7 -5,-0.1 -1,-0.2 -0.974 65.9-152.3-121.4 126.6 1.7 -7.1 22.6 368 52 B T - 0 0 93 -2,-0.5 231,-0.2 228,-0.2 2,-0.1 -0.848 8.3-147.9-105.1 111.7 -0.5 -4.1 23.1 369 53 B I - 0 0 40 -2,-0.7 2,-0.5 1,-0.1 227,-0.2 -0.442 21.6-119.6 -72.0 146.3 1.2 -0.7 23.1 370 54 B A - 0 0 45 225,-2.5 -1,-0.1 -2,-0.1 227,-0.1 -0.791 29.6-117.0 -90.2 127.6 -0.5 2.0 25.3 371 55 B A - 0 0 66 -2,-0.5 53,-0.1 1,-0.1 -1,-0.0 -0.397 33.4-109.3 -66.9 138.1 -1.6 5.0 23.4 372 56 B P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.322 30.9-121.0 -70.4 148.8 0.1 8.2 24.3 373 57 B G >> - 0 0 46 1,-0.1 4,-2.2 4,-0.0 3,-1.3 -0.233 25.8-103.8 -80.1 170.2 -1.8 11.0 26.2 374 58 B A H 3> S+ 0 0 72 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.857 118.9 66.7 -62.5 -35.8 -2.4 14.6 25.0 375 59 B A H 34 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.723 111.2 38.1 -60.7 -14.5 0.2 15.8 27.4 376 60 B N H X4 S+ 0 0 7 -3,-1.3 3,-0.8 2,-0.1 4,-0.5 0.846 113.1 52.1-101.3 -44.6 2.6 13.9 25.2 377 61 B M H >X S+ 0 0 55 -4,-2.2 4,-1.3 1,-0.2 3,-0.6 0.737 91.1 78.1 -64.2 -25.2 1.1 14.5 21.7 378 62 B Q H 3X S+ 0 0 103 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.906 93.1 51.0 -55.1 -38.1 1.1 18.3 22.2 379 63 B F H <4 S+ 0 0 59 -3,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.798 116.4 37.1 -70.9 -32.9 4.8 18.6 21.5 380 64 B A H <> S+ 0 0 2 -3,-0.6 4,-2.7 -4,-0.5 5,-0.3 0.493 92.3 95.8 -95.1 -4.0 4.8 16.6 18.3 381 65 B E H X S+ 0 0 129 -4,-1.3 4,-2.6 -3,-0.4 5,-0.2 0.922 81.5 49.9 -55.5 -50.1 1.5 18.1 17.2 382 66 B N H X S+ 0 0 123 -4,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.927 115.6 43.2 -54.1 -49.3 3.0 20.8 15.0 383 67 B T H > S+ 0 0 4 -4,-0.3 4,-2.3 2,-0.2 3,-0.2 0.925 112.8 50.6 -62.0 -49.5 5.3 18.4 13.2 384 68 B L H X S+ 0 0 13 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.902 108.5 53.5 -58.1 -42.3 2.7 15.7 12.7 385 69 B Q H X S+ 0 0 72 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.840 106.9 51.1 -64.4 -35.7 0.3 18.3 11.3 386 70 B E H >< S+ 0 0 97 -4,-1.6 3,-1.6 -3,-0.2 4,-0.4 0.973 112.6 46.0 -60.8 -55.8 2.8 19.5 8.7 387 71 B I H >< S+ 0 0 2 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.883 106.8 59.8 -54.8 -40.8 3.4 15.9 7.6 388 72 B R H 3< S+ 0 0 115 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.769 109.3 43.0 -62.9 -22.5 -0.3 15.3 7.6 389 73 B Q T << S+ 0 0 128 -3,-1.6 -1,-0.3 -4,-0.8 -2,-0.2 0.396 96.3 99.1-106.1 6.9 -0.5 18.1 5.0 390 74 B M S < S- 0 0 55 -3,-1.6 -3,-0.0 -4,-0.4 3,-0.0 -0.229 79.3 -97.4 -82.2 177.0 2.4 17.1 2.8 391 75 B T > - 0 0 67 1,-0.1 4,-2.9 47,-0.0 5,-0.2 -0.450 37.5-104.3 -84.0 164.5 2.4 15.1 -0.4 392 76 B P H > S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.938 123.2 49.1 -53.7 -44.5 3.0 11.4 -0.5 393 77 B L H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.880 113.9 46.8 -64.3 -33.1 6.5 11.8 -1.9 394 78 B Q H > S+ 0 0 93 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.906 110.6 50.7 -76.3 -41.1 7.2 14.5 0.8 395 79 B Q H X S+ 0 0 9 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.925 113.5 46.6 -60.6 -45.0 5.9 12.4 3.7 396 80 B T H X S+ 0 0 57 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.955 112.0 50.3 -60.5 -52.4 8.0 9.6 2.5 397 81 B Q H X S+ 0 0 99 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.902 109.0 52.8 -54.0 -41.6 11.0 11.8 2.1 398 82 B A H X S+ 0 0 12 -4,-3.3 4,-1.9 2,-0.2 -1,-0.2 0.905 110.0 46.3 -64.0 -43.1 10.5 13.2 5.6 399 83 B M H X S+ 0 0 11 -4,-2.0 4,-2.1 -5,-0.2 5,-0.3 0.920 113.1 51.6 -62.6 -40.6 10.4 9.6 7.1 400 84 B C H X S+ 0 0 20 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.913 108.6 49.6 -64.6 -39.0 13.6 8.8 5.0 401 85 B D H X>S+ 0 0 39 -4,-2.8 5,-1.8 2,-0.2 4,-0.7 0.911 108.7 54.3 -66.9 -37.3 15.5 11.9 6.3 402 86 B L H ><5S+ 0 0 1 -4,-1.9 76,-2.2 2,-0.2 3,-1.2 0.962 114.2 38.6 -57.3 -56.8 14.5 11.0 9.9 403 87 B A H 3<5S+ 0 0 10 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.873 116.8 54.0 -61.9 -37.6 16.0 7.5 9.6 404 88 B N H 3<5S- 0 0 39 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.556 102.5-134.2 -76.2 -6.6 18.8 8.9 7.5 405 89 B R T <<5 + 0 0 87 -3,-1.2 75,-0.5 -4,-0.7 -3,-0.2 0.829 48.4 157.8 57.6 36.9 19.7 11.5 10.2 406 90 B T < - 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0 0 1 72,-0.3 4,-2.9 -2,-0.1 3,-0.5 -0.401 36.4-101.2 -74.6 160.6 12.7 13.1 24.5 419 103 B P H 3> S+ 0 0 7 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.905 124.1 52.0 -45.7 -49.5 12.4 9.4 23.8 420 104 B N H 3> S+ 0 0 21 141,-0.3 4,-2.5 1,-0.2 5,-0.1 0.837 110.9 47.6 -62.1 -34.0 8.8 9.4 24.8 421 105 B I H <> S+ 0 0 2 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.904 112.8 48.4 -70.2 -45.9 8.0 12.3 22.4 422 106 B K H X S+ 0 0 11 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.866 114.4 47.2 -59.8 -35.5 9.8 10.6 19.6 423 107 B L H X S+ 0 0 31 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.912 110.8 50.3 -73.7 -43.6 7.9 7.4 20.4 424 108 B G H X S+ 0 0 5 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.855 108.6 53.4 -60.5 -40.5 4.6 9.1 20.6 425 109 B F H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.954 109.9 47.3 -58.1 -54.2 5.3 10.8 17.3 426 110 B W H X S+ 0 0 43 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.893 107.3 56.4 -63.0 -37.3 6.0 7.5 15.6 427 111 B Y H X S+ 0 0 46 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.942 108.8 47.6 -57.9 -44.4 2.9 5.8 17.1 428 112 B E H X S+ 0 0 31 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.904 108.4 53.1 -67.0 -37.5 0.8 8.5 15.5 429 113 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.879 106.3 56.7 -65.1 -32.3 2.4 8.2 12.2 430 114 B G H X S+ 0 0 12 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.965 106.7 46.0 -60.0 -51.0 1.7 4.5 12.4 431 115 B R H X S+ 0 0 84 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.929 111.7 52.4 -58.3 -44.0 -2.0 5.1 12.8 432 116 B F H X>S+ 0 0 23 -4,-2.3 5,-2.4 2,-0.2 6,-1.4 0.883 108.0 51.9 -56.4 -44.0 -1.9 7.6 9.9 433 117 B M H ><5S+ 0 0 21 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.953 112.2 46.3 -58.5 -46.7 -0.2 5.0 7.8 434 118 B D H 3<5S+ 0 0 117 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.825 113.7 49.2 -62.4 -34.3 -3.0 2.5 8.7 435 119 B Q H 3<5S- 0 0 108 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.560 112.5-116.6 -86.9 -7.6 -5.6 5.1 8.0 436 120 B G T <<5S+ 0 0 56 -3,-1.0 -3,-0.2 -4,-0.9 -4,-0.1 0.626 86.5 114.9 79.8 13.2 -4.2 6.1 4.7 437 121 B L S - 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