==== 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 TRANSPORT PROTEIN 04-AUG-06 2J0R . COMPND 2 MOLECULE: HEMIN TRANSPORT PROTEIN HEMS; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA ENTEROCOLITICA; . AUTHOR S.SCHNEIDER,K.H.SHARP,P.D.BARKER,M.PAOLI . 331 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 29.0 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 5 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 2 4 4 3 2 1 0 0 1 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 1 0 1 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 3 A K 0 0 154 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.3 11.1 -27.6 26.0 2 4 A S > - 0 0 63 1,-0.1 4,-2.3 34,-0.0 5,-0.2 -0.224 360.0 -98.2 -69.0 169.9 9.3 -24.9 23.9 3 5 A I H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.928 128.2 51.9 -58.3 -40.9 5.8 -25.8 22.5 4 6 A Y H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 109.9 48.5 -60.1 -42.5 7.5 -26.6 19.2 5 7 A E H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.864 108.9 53.0 -67.1 -37.0 10.0 -28.9 20.9 6 8 A Q H X S+ 0 0 80 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.922 108.7 51.3 -61.1 -43.3 7.2 -30.6 22.8 7 9 A Y H X S+ 0 0 11 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.929 108.1 50.6 -56.0 -51.2 5.6 -31.1 19.4 8 10 A L H X S+ 0 0 78 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.866 113.6 45.9 -57.8 -39.2 8.8 -32.7 17.9 9 11 A Q H X S+ 0 0 83 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.917 112.7 49.8 -69.3 -44.0 9.0 -35.0 21.0 10 12 A A H X S+ 0 0 13 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.888 111.5 49.7 -59.6 -39.5 5.3 -35.9 20.6 11 13 A K H < S+ 0 0 84 -4,-3.0 3,-0.2 1,-0.2 -1,-0.2 0.894 109.7 50.1 -69.2 -41.0 5.8 -36.6 16.9 12 14 A A H < S+ 0 0 69 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 114.1 45.7 -64.3 -33.8 8.8 -38.8 17.5 13 15 A D H < S+ 0 0 98 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.627 125.4 31.4 -85.6 -15.4 6.8 -40.8 20.2 14 16 A N >< + 0 0 47 -4,-1.1 3,-1.5 -3,-0.2 -1,-0.2 -0.574 63.7 164.1-140.5 75.7 3.7 -41.1 18.0 15 17 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.666 74.3 61.8 -77.2 -6.9 4.7 -41.2 14.4 16 18 A G T 3 S+ 0 0 79 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.488 84.3 108.3 -87.8 -2.0 1.3 -42.5 13.4 17 19 A K < - 0 0 85 -3,-1.5 -3,-0.1 -6,-0.2 2,-0.1 -0.555 66.3-125.3 -92.4 138.9 -0.7 -39.5 14.6 18 20 A Y >> - 0 0 94 -2,-0.3 4,-2.2 1,-0.1 3,-0.8 -0.413 35.2-113.2 -59.8 146.2 -2.5 -36.6 12.8 19 21 A A H 3> S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.866 119.8 62.4 -44.8 -41.1 -1.3 -33.1 14.0 20 22 A R H 3> S+ 0 0 36 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.915 107.0 41.7 -52.5 -46.8 -4.8 -32.8 15.4 21 23 A D H <> S+ 0 0 55 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.803 109.0 57.2 -79.0 -31.3 -4.1 -35.8 17.7 22 24 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.917 105.1 54.4 -58.1 -44.8 -0.6 -34.7 18.6 23 25 A A H X>S+ 0 0 2 -4,-2.3 5,-2.1 -5,-0.2 4,-0.8 0.928 105.9 52.4 -54.0 -47.7 -2.2 -31.4 19.8 24 26 A T H ><5S+ 0 0 99 -4,-1.4 3,-1.3 1,-0.2 -1,-0.2 0.921 108.4 48.8 -54.2 -52.7 -4.5 -33.4 22.1 25 27 A L H 3<5S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 111.9 50.7 -54.7 -41.3 -1.6 -35.3 23.6 26 28 A M H 3<5S- 0 0 32 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.599 113.4-121.0 -73.6 -12.2 0.1 -32.0 24.1 27 29 A G T <<5S+ 0 0 66 -3,-1.3 2,-0.3 -4,-0.8 -3,-0.2 0.784 76.8 101.6 73.7 31.8 -3.0 -30.5 25.8 28 30 A I S - 0 0 12 -2,-0.3 4,-2.0 1,-0.1 103,-0.2 -0.443 34.9-114.1 -78.7 157.7 -5.5 -26.8 20.2 30 32 A E H > S+ 0 0 7 101,-0.3 4,-2.6 1,-0.2 102,-0.2 0.873 118.6 57.0 -59.2 -35.2 -4.4 -27.7 16.6 31 33 A A H > S+ 0 0 0 100,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.907 106.7 47.8 -61.0 -44.0 -4.2 -23.9 15.9 32 34 A E H > S+ 0 0 67 2,-0.2 4,-1.6 99,-0.2 -1,-0.2 0.837 110.3 52.3 -64.7 -36.1 -1.8 -23.4 18.9 33 35 A L H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.936 111.3 46.8 -61.6 -47.5 0.3 -26.3 17.6 34 36 A T H >X S+ 0 0 2 -4,-2.6 3,-0.6 1,-0.2 4,-0.5 0.891 107.3 57.6 -61.8 -39.9 0.4 -24.6 14.2 35 37 A H H >< S+ 0 0 26 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.886 104.9 51.3 -56.7 -41.4 1.2 -21.3 15.8 36 38 A S H 3< S+ 0 0 19 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.716 103.4 60.0 -69.6 -23.9 4.4 -22.9 17.4 37 39 A R H XX>S+ 0 0 6 -4,-1.0 3,-2.3 -3,-0.6 5,-1.7 0.555 77.3 119.9 -81.0 -8.5 5.4 -24.2 14.0 38 40 A V B <<5S+a 42 0A 18 -3,-1.0 5,-0.2 -4,-0.5 -34,-0.1 -0.393 78.0 20.1 -65.2 136.1 5.7 -20.8 12.6 39 41 A S T 345S+ 0 0 97 3,-1.8 -1,-0.3 -2,-0.1 4,-0.1 0.192 123.9 65.1 73.4 11.2 9.1 -19.9 11.3 40 42 A H T <45S- 0 0 108 -3,-2.3 -2,-0.2 2,-0.2 -1,-0.1 0.762 133.7 -30.2-109.6 -83.4 9.8 -23.6 11.2 41 43 A D T <5S+ 0 0 42 -4,-1.1 72,-2.2 73,-0.0 2,-0.3 0.279 124.6 62.7-117.5 7.6 7.5 -25.2 8.6 42 44 A A E < -aB 38 112A 3 -5,-1.7 -3,-1.8 70,-0.2 2,-0.3 -0.856 55.3-160.9-125.4 167.3 4.6 -22.8 8.9 43 45 A K E - B 0 111A 99 68,-2.0 68,-2.2 -2,-0.3 2,-0.3 -0.989 25.7-113.0-145.2 148.6 3.6 -19.1 8.4 44 46 A R E -CB 157 110A 33 113,-0.6 113,-2.2 -2,-0.3 2,-0.3 -0.608 29.5-144.2 -76.3 141.3 0.9 -16.9 9.6 45 47 A L E -C 156 0A 2 64,-2.2 2,-0.5 -2,-0.3 64,-0.4 -0.859 29.9-105.3-107.4 144.9 -1.6 -15.6 7.1 46 48 A K - 0 0 114 109,-2.7 2,-2.2 -2,-0.3 110,-0.1 0.249 55.2-149.1 -51.9 12.2 -3.3 -12.2 7.0 47 49 A G + 0 0 21 -2,-0.5 2,-0.3 62,-0.3 -1,-0.2 -0.107 49.6 138.5 54.2 -30.0 -6.3 -14.2 8.2 48 50 A D > - 0 0 85 -2,-2.2 4,-2.0 1,-0.2 3,-0.2 -0.338 43.3-152.3 -59.2 113.8 -9.4 -12.6 7.0 49 51 A A H > S+ 0 0 7 57,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.881 89.5 51.3 -54.4 -48.0 -11.2 -15.8 6.0 50 52 A R H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 110.4 48.9 -52.6 -47.3 -13.4 -14.2 3.2 51 53 A A H > S+ 0 0 42 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.916 113.3 46.9 -64.2 -42.6 -10.4 -12.6 1.6 52 54 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.914 113.2 47.6 -65.0 -46.2 -8.5 -15.9 1.6 53 55 A L H X S+ 0 0 0 -4,-2.6 4,-0.6 2,-0.2 3,-0.3 0.938 112.1 49.6 -62.6 -47.1 -11.4 -17.9 0.3 54 56 A A H >< S+ 0 0 54 -4,-2.3 3,-1.1 1,-0.2 4,-0.3 0.914 110.2 52.2 -53.9 -44.8 -12.0 -15.4 -2.5 55 57 A A H >< S+ 0 0 21 -4,-2.2 3,-1.6 1,-0.2 4,-0.2 0.813 96.4 68.9 -64.9 -29.4 -8.3 -15.5 -3.4 56 58 A L H >< S+ 0 0 0 -4,-1.6 3,-1.6 -3,-0.3 23,-0.4 0.726 79.3 77.0 -65.2 -20.7 -8.4 -19.3 -3.6 57 59 A E G X< S+ 0 0 88 -3,-1.1 3,-0.8 -4,-0.6 -1,-0.3 0.831 89.6 60.4 -54.4 -29.4 -10.5 -19.1 -6.8 58 60 A A G < S+ 0 0 66 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.681 92.1 65.4 -73.6 -18.7 -7.3 -18.2 -8.6 59 61 A V G < S- 0 0 0 -3,-1.6 85,-2.8 1,-0.2 -1,-0.2 0.523 86.8-151.5 -89.0 -6.1 -5.4 -21.4 -7.8 60 62 A G < + 0 0 17 -3,-0.8 19,-0.4 -4,-0.3 -1,-0.2 -0.364 58.1 16.7 69.4-146.7 -7.6 -23.9 -9.7 61 63 A E S S+ 0 0 46 81,-0.4 79,-0.5 17,-0.1 2,-0.3 -0.345 71.9 149.9 -70.5 133.0 -7.9 -27.5 -8.6 62 64 A V E -D 77 0A 0 15,-2.6 15,-2.6 77,-0.1 2,-0.5 -0.852 47.4 -98.4-144.8 175.7 -6.9 -28.3 -5.0 63 65 A K E -DE 76 138A 66 75,-2.4 75,-3.0 -2,-0.3 2,-0.4 -0.947 33.1-158.0-107.4 124.1 -7.8 -30.8 -2.3 64 66 A A E -DE 75 137A 0 11,-3.1 11,-3.1 -2,-0.5 2,-0.5 -0.860 6.0-166.8-103.1 134.1 -10.2 -29.6 0.3 65 67 A I E +DE 74 136A 23 71,-2.9 71,-2.1 -2,-0.4 2,-0.4 -0.984 11.5 170.6-126.8 122.3 -10.4 -31.3 3.7 66 68 A T E +D 73 0A 1 7,-2.1 7,-2.7 -2,-0.5 2,-0.3 -0.991 15.9 166.9-124.0 136.5 -13.2 -30.8 6.3 67 69 A R E -D 72 0A 24 -2,-0.4 5,-0.2 67,-0.3 2,-0.2 -0.964 27.8-159.8-144.7 162.4 -13.5 -33.0 9.5 68 70 A N - 0 0 8 3,-2.3 3,-0.2 -2,-0.3 172,-0.1 -0.635 55.3 -85.4-118.5-174.6 -15.0 -33.5 12.8 69 71 A T S S+ 0 0 69 -2,-0.2 3,-0.1 1,-0.2 236,-0.1 0.822 128.0 37.8 -64.7 -18.9 -13.5 -35.8 15.5 70 72 A Y S S+ 0 0 41 1,-0.2 203,-2.8 234,-0.1 2,-0.3 0.616 118.9 31.9-106.5 -19.7 -15.3 -38.8 14.0 71 73 A A E - F 0 272A 0 201,-0.2 -3,-2.3 -3,-0.2 2,-0.4 -0.999 55.2-156.1-149.7 140.8 -15.2 -38.3 10.2 72 74 A V E -DF 67 271A 3 199,-2.8 199,-2.2 -2,-0.3 2,-0.5 -0.984 9.2-163.7-123.7 128.5 -12.8 -36.8 7.6 73 75 A H E -DF 66 270A 0 -7,-2.7 -7,-2.1 -2,-0.4 2,-0.5 -0.968 7.9-177.0-119.3 113.7 -14.1 -35.6 4.2 74 76 A E E +DF 65 269A 27 195,-2.5 195,-2.3 -2,-0.5 2,-0.4 -0.978 8.8 174.0-119.3 123.3 -11.4 -35.0 1.4 75 77 A Q E -DF 64 268A 4 -11,-3.1 -11,-3.1 -2,-0.5 2,-0.3 -0.986 28.2-134.1-139.6 133.5 -12.5 -33.7 -1.9 76 78 A M E +D 63 0A 21 191,-2.8 2,-0.3 -2,-0.4 -13,-0.2 -0.592 55.0 100.8 -76.9 139.6 -10.9 -32.5 -5.2 77 79 A G E -D 62 0A 1 -15,-2.6 -15,-2.6 -2,-0.3 2,-0.3 -0.991 59.6 -84.9 170.9-169.6 -12.2 -29.2 -6.6 78 80 A R - 0 0 112 -2,-0.3 2,-1.9 -17,-0.2 19,-0.2 -0.959 31.1-118.8-133.0 148.4 -12.1 -25.5 -7.1 79 81 A Y + 0 0 0 -23,-0.4 3,-0.2 -19,-0.4 2,-0.2 -0.452 67.8 132.9 -86.6 64.0 -13.1 -22.5 -5.0 80 82 A E + 0 0 54 -2,-1.9 12,-0.3 1,-0.2 -2,-0.1 -0.612 45.8 36.8-107.3 171.2 -15.6 -21.2 -7.6 81 83 A N S S- 0 0 104 -2,-0.2 11,-2.1 1,-0.2 2,-0.3 0.935 78.8-178.7 52.7 52.5 -19.2 -20.0 -7.5 82 84 A Q E +K 91 0B 44 -3,-0.2 9,-0.2 9,-0.2 2,-0.2 -0.593 24.8 177.6 -86.5 141.4 -18.7 -18.3 -4.1 83 85 A H E -K 90 0B 114 7,-2.6 7,-2.2 -2,-0.3 2,-0.3 -0.705 21.2-177.2-139.6 86.6 -21.4 -16.5 -2.1 84 86 A L + 0 0 29 5,-0.3 2,-0.2 -2,-0.2 5,-0.1 -0.735 19.0 133.7 -97.1 139.4 -19.8 -15.3 1.1 85 87 A N - 0 0 94 -2,-0.3 18,-0.5 16,-0.1 19,-0.1 -0.886 58.5 -90.0-164.5 166.8 -21.3 -13.5 4.1 86 88 A G S S+ 0 0 10 -2,-0.2 18,-1.9 1,-0.2 19,-0.2 0.706 111.2 30.9 -65.6 -38.8 -21.0 -14.0 7.9 87 89 A H S S+ 0 0 151 1,-0.3 2,-0.3 16,-0.2 -1,-0.2 0.770 132.6 9.2 -92.5 -32.3 -23.7 -16.3 9.2 88 90 A A + 0 0 77 14,-0.1 -1,-0.3 2,-0.0 2,-0.3 -0.919 69.6 162.5-155.0 124.9 -24.2 -18.5 6.1 89 91 A G E - L 0 101B 3 12,-1.7 12,-2.0 -2,-0.3 2,-0.3 -0.907 19.1-139.9-139.8 163.3 -22.1 -18.6 2.9 90 92 A L E -KL 83 100B 57 -7,-2.2 -7,-2.6 -2,-0.3 2,-0.4 -0.941 23.8-172.2-131.6 148.0 -21.6 -20.9 -0.0 91 93 A I E -KL 82 99B 0 8,-1.7 8,-2.6 -2,-0.3 2,-0.8 -0.923 35.7-163.9-127.6 102.6 -19.0 -22.4 -2.3 92 94 A L E + L 0 98B 72 -11,-2.1 6,-0.2 -2,-0.4 5,-0.1 -0.793 35.8 131.2-107.2 92.2 -21.5 -24.1 -4.7 93 95 A N > - 0 0 15 -2,-0.8 3,-2.7 4,-0.6 -15,-0.1 -0.674 44.6-146.1-139.3 80.6 -20.1 -26.7 -7.0 94 96 A P T 3 S+ 0 0 69 0, 0.0 3,-0.2 0, 0.0 153,-0.1 -0.205 87.1 13.1 -49.5 131.5 -22.3 -29.9 -6.9 95 97 A R T 3 S+ 0 0 106 1,-0.3 2,-0.1 151,-0.2 3,-0.1 0.254 133.4 48.2 81.5 -10.0 -20.1 -33.0 -7.4 96 98 A N S < S- 0 0 63 -3,-2.7 2,-0.7 1,-0.1 -1,-0.3 -0.080 121.5 -11.7-123.8-131.3 -16.9 -30.9 -6.8 97 99 A L + 0 0 0 -19,-0.2 -4,-0.6 -3,-0.2 2,-0.5 -0.655 68.7 167.5 -79.2 113.5 -16.2 -28.5 -4.0 98 100 A D E +L 92 0B 6 -2,-0.7 148,-2.5 148,-0.3 2,-0.3 -0.923 11.1 168.0-132.4 98.2 -19.6 -27.9 -2.4 99 101 A L E -LM 91 245B 0 -8,-2.6 -8,-1.7 -2,-0.5 2,-0.4 -0.914 30.1-157.4-120.0 148.3 -19.3 -26.1 1.0 100 102 A R E -LM 90 244B 74 144,-2.5 144,-2.1 -2,-0.3 2,-0.4 -0.996 26.1-164.0-122.7 121.4 -21.5 -24.4 3.5 101 103 A L E -LM 89 243B 5 -12,-2.0 -12,-1.7 -2,-0.4 2,-0.6 -0.888 28.4-164.8-116.6 136.6 -19.6 -21.9 5.7 102 104 A F > - 0 0 74 140,-2.6 3,-2.0 -2,-0.4 4,-0.2 -0.793 21.6-176.9-114.8 79.2 -20.4 -20.1 9.0 103 105 A L G > S+ 0 0 6 -2,-0.6 3,-1.3 -18,-0.5 -16,-0.2 0.623 70.4 72.3 -58.7 -23.8 -17.6 -17.5 8.6 104 106 A N G 3 S+ 0 0 79 -18,-1.9 -1,-0.3 1,-0.2 -17,-0.1 0.702 95.4 57.5 -64.6 -18.1 -18.1 -15.8 11.9 105 107 A Q G < S+ 0 0 45 -3,-2.0 24,-0.7 -19,-0.2 2,-0.7 0.606 82.8 102.7 -82.7 -15.7 -16.5 -19.0 13.4 106 108 A W E < + G 0 128A 21 -3,-1.3 -57,-0.3 -4,-0.2 22,-0.2 -0.634 39.0 159.0 -80.9 110.1 -13.4 -18.6 11.3 107 109 A A E + 0 0 43 20,-2.2 2,-0.3 -2,-0.7 21,-0.2 0.832 50.9 6.2-101.3 -41.3 -10.5 -17.1 13.5 108 110 A S E - G 0 127A 8 19,-1.9 19,-2.5 -60,-0.0 2,-0.3 -0.948 49.8-157.1-150.9 161.5 -7.1 -17.8 12.1 109 111 A A E + G 0 126A 0 -64,-0.4 -64,-2.2 -2,-0.3 2,-0.3 -0.995 9.5 175.9-149.6 143.5 -5.1 -19.1 9.1 110 112 A F E -BG 44 125A 0 15,-2.2 15,-2.9 -2,-0.3 2,-0.3 -0.916 20.4-136.4-139.7 159.9 -1.7 -20.5 8.4 111 113 A T E -BG 43 124A 7 -68,-2.2 -68,-2.0 -2,-0.3 2,-0.3 -0.933 20.6-164.6-116.9 144.6 0.2 -22.0 5.5 112 114 A L E -BG 42 123A 1 11,-2.2 11,-2.1 -2,-0.3 2,-0.4 -0.981 16.0-169.8-129.5 142.5 2.5 -25.1 5.9 113 115 A T E + G 0 122A 60 -72,-2.2 2,-0.4 -2,-0.3 9,-0.2 -0.963 24.4 178.6-130.1 112.2 5.1 -26.6 3.7 114 116 A E E - G 0 121A 38 7,-2.5 7,-2.7 -2,-0.4 2,-0.8 -0.954 34.4-132.7-123.0 132.0 6.1 -30.1 5.0 115 117 A E E + G 0 120A 171 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.752 38.7 178.3 -77.5 110.7 8.5 -32.7 3.9 116 118 A T E > - G 0 119A 13 3,-3.6 2,-2.6 -2,-0.8 3,-2.1 -0.545 40.3-112.7-138.2 63.5 6.2 -35.8 4.2 117 119 A R T 3 S+ 0 0 191 1,-0.4 3,-0.1 -2,-0.2 -1,-0.1 -0.082 119.2 51.6 71.3 -69.9 7.5 -39.1 3.2 118 120 A H T 3 S- 0 0 146 -2,-2.6 -1,-0.4 1,-0.2 2,-0.3 0.953 131.2 -79.3 -48.8 -59.6 5.2 -39.4 0.2 119 121 A G E < -G 116 0A 28 -3,-2.1 -3,-3.6 -5,-0.1 2,-0.5 -0.901 69.0 -30.3-177.3-158.5 6.6 -36.0 -0.7 120 122 A V E -G 115 0A 67 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.781 53.5-159.2 -85.6 128.2 6.3 -32.3 -0.0 121 123 A R E -G 114 0A 96 -7,-2.7 -7,-2.5 -2,-0.5 2,-0.4 -0.931 4.9-165.8-110.3 135.3 2.9 -31.1 1.0 122 124 A H E +G 113 0A 46 -2,-0.4 17,-2.3 17,-0.2 2,-0.3 -0.964 20.2 164.1-118.3 132.5 1.7 -27.5 0.7 123 125 A S E -GH 112 138A 0 -11,-2.1 -11,-2.2 -2,-0.4 2,-0.4 -0.989 38.6-144.8-151.1 157.1 -1.3 -26.3 2.5 124 126 A I E -GH 111 137A 0 13,-2.2 13,-2.5 -2,-0.3 2,-0.4 -0.987 29.7-167.2-114.6 128.4 -3.5 -23.5 3.8 125 127 A Q E -GH 110 136A 6 -15,-2.9 -15,-2.2 -2,-0.4 2,-0.4 -0.979 6.4-157.7-130.0 130.1 -5.2 -24.3 7.1 126 128 A F E -GH 109 135A 2 9,-2.7 8,-3.1 -2,-0.4 9,-1.2 -0.891 9.2-167.7-112.4 139.6 -8.1 -22.5 8.9 127 129 A F E -GH 108 133A 0 -19,-2.5 -20,-2.2 -2,-0.4 -19,-1.9 -0.899 13.1-129.4-130.4 151.7 -9.0 -22.6 12.6 128 130 A D E > -G 106 0A 4 4,-2.5 3,-2.0 -2,-0.3 -22,-0.2 -0.201 42.6 -85.1 -92.1-176.1 -11.9 -21.5 14.7 129 131 A H T 3 S+ 0 0 51 -24,-0.7 37,-2.6 1,-0.3 -23,-0.1 0.632 130.5 51.9 -69.7 -14.0 -12.1 -19.4 18.0 130 132 A Q T 3 S- 0 0 29 35,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.384 120.1-111.2 -95.5 -2.6 -11.4 -22.6 20.0 131 133 A G S < S+ 0 0 0 -3,-2.0 -100,-2.7 1,-0.3 -101,-0.3 0.553 71.5 139.6 84.4 8.3 -8.4 -23.4 17.9 132 134 A D - 0 0 60 -102,-0.2 -4,-2.5 -103,-0.2 -1,-0.3 -0.598 61.6 -96.6 -82.1 148.2 -9.9 -26.4 16.2 133 135 A A E + H 0 127A 9 -2,-0.2 -6,-0.2 -6,-0.2 -66,-0.1 -0.391 40.1 174.6 -60.7 135.9 -9.4 -27.1 12.5 134 136 A L E - 0 0 2 -8,-3.1 2,-0.3 1,-0.4 -67,-0.3 0.786 63.7 -16.4-102.0 -46.0 -12.2 -25.9 10.3 135 137 A H E - H 0 126A 1 -9,-1.2 -9,-2.7 -69,-0.1 -1,-0.4 -0.971 53.8-159.1-163.0 145.8 -10.9 -26.5 6.8 136 138 A K E -EH 65 125A 29 -71,-2.1 -71,-2.9 -2,-0.3 2,-0.4 -0.982 5.2-155.9-136.2 144.1 -7.6 -27.2 5.0 137 139 A V E -EH 64 124A 0 -13,-2.5 -13,-2.2 -2,-0.3 2,-0.4 -0.998 12.8-164.3-122.7 125.0 -6.6 -26.8 1.4 138 140 A Y E -EH 63 123A 41 -75,-3.0 -75,-2.4 -2,-0.4 -15,-0.2 -0.896 21.8-117.9-111.8 137.2 -3.8 -28.9 -0.1 139 141 A V - 0 0 28 -17,-2.3 2,-0.2 -2,-0.4 -17,-0.2 -0.424 37.4-177.0 -64.8 141.2 -1.9 -28.3 -3.3 140 142 A T > - 0 0 31 -79,-0.5 3,-1.1 -2,-0.1 -1,-0.0 -0.745 44.5 -82.8-130.2-176.4 -2.3 -31.2 -5.9 141 143 A E T 3 S+ 0 0 182 1,-0.2 -79,-0.0 -2,-0.2 -2,-0.0 0.824 126.8 46.9 -60.8 -33.1 -0.8 -32.0 -9.3 142 144 A Q T 3 S+ 0 0 133 2,-0.1 -81,-0.4 -82,-0.0 -1,-0.2 0.544 83.0 122.4 -88.2 -5.3 -3.3 -29.8 -11.1 143 145 A T S < S- 0 0 9 -3,-1.1 2,-1.2 -83,-0.2 -83,-0.2 -0.274 71.6-117.5 -57.6 136.3 -3.0 -26.7 -8.8 144 146 A D > - 0 0 75 -85,-2.8 4,-2.2 1,-0.2 3,-0.2 -0.656 31.5-167.7 -76.3 97.2 -1.9 -23.5 -10.6 145 147 A M H > S+ 0 0 56 -2,-1.2 4,-2.9 2,-0.2 5,-0.3 0.888 79.2 55.1 -62.9 -42.8 1.4 -23.0 -8.8 146 148 A P H > S+ 0 0 96 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.900 113.4 44.9 -56.7 -39.9 2.1 -19.4 -9.9 147 149 A A H > S+ 0 0 19 2,-0.2 4,-2.6 -3,-0.2 -2,-0.2 0.899 112.2 50.5 -70.7 -41.3 -1.2 -18.5 -8.5 148 150 A W H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.933 114.7 44.9 -57.4 -46.7 -0.7 -20.5 -5.3 149 151 A E H X S+ 0 0 124 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.914 112.6 50.3 -68.7 -42.9 2.7 -18.8 -4.8 150 152 A A H X S+ 0 0 60 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.891 110.1 51.9 -57.9 -44.0 1.4 -15.3 -5.7 151 153 A L H >X S+ 0 0 7 -4,-2.6 4,-1.9 1,-0.2 3,-0.5 0.949 111.4 46.0 -57.6 -51.7 -1.5 -15.9 -3.2 152 154 A L H 3X S+ 0 0 19 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.892 108.8 54.8 -62.8 -39.3 1.0 -16.8 -0.4 153 155 A A H 3< S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.811 112.9 44.8 -62.5 -28.8 3.3 -13.9 -1.2 154 156 A Q H << S+ 0 0 119 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.774 121.8 34.8 -81.4 -32.2 0.2 -11.6 -0.8 155 157 A F H < S+ 0 0 13 -4,-1.9 -109,-2.7 -5,-0.1 -2,-0.2 0.662 86.9 103.1-101.7 -23.2 -1.2 -13.2 2.5 156 158 A I E < -C 45 0A 55 -4,-2.5 2,-0.3 -111,-0.2 -111,-0.2 -0.425 49.8-172.6 -61.7 136.2 1.9 -14.3 4.5 157 159 A T E -C 44 0A 38 -113,-2.2 -113,-0.6 2,-0.1 -2,-0.0 -0.948 30.4-144.2-125.9 154.3 2.7 -11.9 7.4 158 160 A T S S+ 0 0 135 -2,-0.3 2,-0.6 -115,-0.1 -1,-0.1 0.620 80.1 97.4 -85.0 -17.2 5.6 -11.9 9.7 159 161 A E + 0 0 136 1,-0.1 -2,-0.1 -115,-0.1 0, 0.0 -0.655 47.5 170.9 -74.6 114.3 3.3 -10.7 12.5 160 162 A N - 0 0 41 -2,-0.6 3,-0.1 -122,-0.0 -1,-0.1 -0.527 12.2-176.3-125.9 65.8 2.3 -13.9 14.5 161 163 A P - 0 0 75 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.182 38.9 -82.7 -64.9 156.7 0.4 -12.7 17.5 162 164 A E - 0 0 141 1,-0.1 2,-0.1 2,-0.0 -130,-0.0 -0.212 55.4-100.4 -54.0 141.4 -0.8 -15.0 20.2 163 165 A L - 0 0 29 -3,-0.1 2,-1.2 1,-0.1 -1,-0.1 -0.433 23.4-134.0 -69.8 141.7 -4.1 -16.7 19.4 164 166 A Q - 0 0 163 -2,-0.1 2,-0.2 -3,-0.1 -33,-0.1 -0.702 32.0-169.3 -92.8 80.9 -7.2 -15.1 21.0 165 167 A L - 0 0 76 -2,-1.2 -35,-0.2 -35,-0.1 -36,-0.1 -0.517 4.2-155.7 -79.8 141.2 -8.9 -18.3 22.1 166 168 A E - 0 0 107 -37,-2.6 3,-0.1 -2,-0.2 -1,-0.0 -0.882 16.7-114.2-113.1 146.4 -12.4 -18.2 23.4 167 169 A P - 0 0 110 0, 0.0 2,-0.1 0, 0.0 -38,-0.0 -0.304 52.4 -60.1 -71.6 161.3 -14.2 -20.5 25.7 168 170 A L 0 0 123 1,-0.3 0, 0.0 -38,-0.1 0, 0.0 -0.452 360.0 360.0 -66.2 151.2 -17.2 -22.7 24.6 169 171 A S 0 0 138 -2,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 -0.872 360.0 360.0 -70.7 360.0 -19.7 -22.2 23.6 170 ! 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 0.0 171 180 A A 0 0 92 0, 0.0 2,-0.1 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 163.1 -43.6 -27.8 22.1 172 181 A T > - 0 0 84 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.350 360.0-113.1 -76.5 157.3 -45.3 -31.2 22.4 173 182 A D H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.900 119.2 50.3 -50.4 -47.7 -44.3 -34.5 20.6 174 183 A E H > S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 110.0 49.7 -63.7 -40.4 -47.6 -34.4 18.6 175 184 A A H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.845 110.2 50.4 -68.1 -35.4 -47.1 -30.7 17.6 176 185 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.932 109.9 50.6 -67.6 -45.6 -43.5 -31.5 16.4 177 186 A D H X S+ 0 0 32 -4,-2.3 4,-2.2 29,-0.3 -2,-0.2 0.900 112.7 46.8 -54.6 -44.9 -44.8 -34.5 14.4 178 187 A A H X S+ 0 0 58 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.866 110.7 51.5 -67.5 -39.1 -47.4 -32.2 12.8 179 188 A E H < S+ 0 0 71 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.906 111.7 48.3 -60.1 -45.8 -44.8 -29.4 12.1 180 189 A W H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.909 109.2 51.6 -61.6 -46.9 -42.6 -32.0 10.4 181 190 A R H 3< S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.760 108.5 53.3 -65.5 -24.9 -45.4 -33.4 8.3 182 191 A A T 3< S+ 0 0 77 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.497 83.3 119.9 -88.0 -6.3 -46.3 -29.9 7.1 183 192 A M < + 0 0 12 -3,-1.4 3,-0.1 -4,-0.3 -3,-0.1 -0.236 35.9 179.3 -60.7 149.6 -42.7 -29.2 5.9 184 193 A T + 0 0 47 1,-0.3 104,-2.1 103,-0.1 2,-0.4 0.509 68.1 43.8-128.5 -18.6 -42.2 -28.3 2.3 185 194 A D S > S- 0 0 60 102,-0.2 3,-1.8 103,-0.1 -1,-0.3 -0.994 74.8-132.1-131.6 137.7 -38.4 -27.7 2.1 186 195 A V T > S+ 0 0 37 -2,-0.4 3,-1.4 1,-0.3 4,-0.3 0.818 106.7 65.6 -57.9 -28.8 -35.7 -29.9 3.8 187 196 A H T >> S+ 0 0 133 1,-0.3 3,-0.8 2,-0.2 4,-0.7 0.667 83.6 72.8 -68.4 -19.7 -34.2 -26.6 5.1 188 197 A Q H <> S+ 0 0 55 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.663 80.5 75.1 -69.4 -17.8 -37.3 -26.0 7.3 189 198 A F H <> S+ 0 0 3 -3,-1.4 4,-2.2 -4,-0.3 -1,-0.2 0.891 89.9 56.3 -59.1 -41.5 -36.1 -28.8 9.6 190 199 A F H <> S+ 0 0 126 -3,-0.8 4,-1.8 -4,-0.3 -1,-0.2 0.915 110.2 45.5 -52.6 -47.2 -33.4 -26.4 10.9 191 200 A Q H X S+ 0 0 104 -4,-0.7 4,-2.8 2,-0.2 5,-0.4 0.865 106.8 57.2 -66.0 -42.6 -36.2 -24.0 11.8 192 201 A L H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.942 109.2 48.0 -52.3 -49.4 -38.4 -26.7 13.4 193 202 A L H <>S+ 0 0 19 -4,-2.2 5,-2.9 2,-0.2 4,-0.3 0.896 116.3 40.4 -59.4 -49.0 -35.5 -27.5 15.8 194 203 A K H ><5S+ 0 0 139 -4,-1.8 3,-0.9 3,-0.2 -2,-0.2 0.943 116.3 47.4 -71.1 -48.3 -34.7 -24.0 16.8 195 204 A R H 3<5S+ 0 0 134 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.823 122.2 37.6 -63.8 -32.4 -38.3 -22.7 17.2 196 205 A N T 3<5S- 0 0 17 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.2 0.384 110.5-125.0 -96.9 1.6 -39.2 -25.8 19.2 197 206 A N T < 5 + 0 0 138 -3,-0.9 2,-0.3 -4,-0.3 -3,-0.2 0.858 56.3 145.3 53.5 49.4 -35.8 -25.9 21.0 198 207 A L < - 0 0 40 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.818 50.1-128.5-118.4 158.7 -34.7 -29.5 20.1 199 208 A T >> - 0 0 73 -2,-0.3 4,-2.4 1,-0.1 3,-2.2 -0.709 40.2-111.4 -85.2 145.0 -31.6 -31.6 19.3 200 209 A R H 3> S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.916 123.2 52.4 -46.1 -45.4 -31.9 -33.6 16.1 201 210 A Q H 3> S+ 0 0 27 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.742 108.9 49.8 -63.5 -22.7 -32.0 -36.6 18.3 202 211 A Q H <> S+ 0 0 98 -3,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.915 112.3 46.0 -76.8 -50.3 -34.8 -35.1 20.4 203 212 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.867 109.7 55.5 -61.2 -39.7 -36.8 -34.2 17.3 204 213 A F H < S+ 0 0 1 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.879 112.4 42.6 -60.2 -41.2 -36.2 -37.7 15.9 205 214 A R H < S+ 0 0 125 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.805 110.2 58.9 -74.2 -31.3 -37.6 -39.2 19.1 206 215 A A H < S+ 0 0 11 -4,-2.0 -29,-0.3 2,-0.1 -2,-0.2 0.868 98.9 66.4 -66.4 -39.2 -40.5 -36.7 19.2 207 216 A V S < S- 0 0 5 -4,-1.9 -33,-0.1 1,-0.1 5,-0.1 -0.239 95.8 -78.0 -85.9 171.5 -41.9 -37.6 15.8 208 217 A G >> - 0 0 19 1,-0.1 3,-2.6 -35,-0.1 4,-1.5 -0.311 38.6-114.4 -68.1 149.7 -43.6 -40.8 14.5 209 218 A N T 34 S+ 0 0 128 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.394 114.6 62.8 -66.5 0.8 -41.6 -43.8 13.5 210 219 A D T 34 S+ 0 0 70 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.533 110.7 40.6 -95.7 -15.0 -42.7 -43.5 9.9 211 220 A L T <4 S+ 0 0 0 -3,-2.6 73,-2.9 1,-0.3 2,-0.3 0.699 132.7 9.1-102.1 -30.7 -40.8 -40.1 9.9 212 221 A A E < +N 283 0B 1 -4,-1.5 -1,-0.3 71,-0.2 2,-0.3 -0.901 69.1 159.5-156.9 123.4 -37.8 -41.1 11.9 213 222 A Y E -N 282 0B 39 69,-2.2 69,-3.2 -2,-0.3 2,-0.2 -0.986 35.5-109.3-144.6 152.6 -36.6 -44.5 13.1 214 223 A Q E -N 281 0B 44 -2,-0.3 2,-0.3 67,-0.2 67,-0.2 -0.552 28.9-171.9 -83.6 147.1 -33.3 -46.2 14.3 215 224 A V - 0 0 1 65,-2.5 65,-0.5 -2,-0.2 116,-0.2 -0.821 39.4 -73.3-127.0 166.9 -31.3 -48.8 12.3 216 225 A D > - 0 0 53 114,-2.4 3,-1.4 -2,-0.3 4,-0.2 -0.231 39.5-120.1 -60.5 155.4 -28.4 -50.9 13.3 217 226 A N T 3 S+ 0 0 49 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.547 111.1 66.3 -75.2 -10.0 -25.0 -49.2 13.6 218 227 A S T 3> S+ 0 0 49 1,-0.2 4,-1.9 2,-0.1 -1,-0.3 0.449 76.2 97.1 -80.8 -2.8 -23.5 -51.4 10.9 219 228 A S H <> S+ 0 0 0 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.832 72.9 57.6 -60.7 -42.2 -25.9 -49.6 8.5 220 229 A L H > S+ 0 0 1 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.943 109.8 43.9 -52.1 -53.2 -23.4 -47.1 7.1 221 230 A T H > S+ 0 0 26 -4,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.913 114.0 50.6 -63.7 -43.5 -21.0 -49.8 5.9 222 231 A Q H X S+ 0 0 55 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.910 113.4 46.6 -54.7 -48.1 -23.8 -51.9 4.5 223 232 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.907 109.6 51.5 -65.7 -44.7 -25.1 -48.9 2.6 224 233 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.883 112.1 48.7 -61.0 -37.9 -21.7 -47.8 1.3 225 234 A N H X S+ 0 0 55 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.884 110.2 49.3 -69.5 -41.3 -21.2 -51.3 -0.1 226 235 A I H X S+ 0 0 15 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.937 113.1 49.1 -61.4 -44.8 -24.6 -51.5 -1.7 227 236 A A H X>S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 5,-0.5 0.863 108.2 52.7 -61.4 -40.9 -23.9 -48.1 -3.3 228 237 A Q H <5S+ 0 0 62 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.873 112.6 46.3 -61.3 -40.7 -20.5 -49.3 -4.5 229 238 A Q H <5S+ 0 0 129 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.885 118.5 39.1 -67.6 -45.0 -22.2 -52.3 -6.2 230 239 A E H <5S- 0 0 68 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.648 92.2-140.9 -86.6 -20.0 -25.0 -50.4 -7.8 231 240 A Q T <5 + 0 0 84 -4,-1.8 2,-0.2 -5,-0.2 -3,-0.1 0.807 44.8 150.9 60.6 34.8 -23.1 -47.3 -8.9 232 241 A N < - 0 0 6 -5,-0.5 2,-0.4 1,-0.1 19,-0.4 -0.626 51.7-101.0 -89.0 155.6 -25.9 -44.9 -8.1 233 242 A E + 0 0 49 -2,-0.2 78,-2.3 17,-0.1 2,-0.2 -0.634 46.9 172.5 -82.6 128.2 -25.2 -41.3 -7.1 234 243 A I E -OP 249 310B 0 15,-2.9 15,-2.3 -2,-0.4 2,-0.4 -0.747 25.6-125.1-126.7 172.8 -25.4 -40.4 -3.4 235 244 A M E -OP 248 309B 28 74,-3.1 74,-2.0 -2,-0.2 2,-0.4 -0.977 15.5-168.5-125.1 137.9 -24.5 -37.5 -1.1 236 245 A I E -OP 247 308B 1 11,-2.0 11,-2.7 -2,-0.4 2,-0.4 -0.991 6.0-166.0-132.0 117.1 -22.3 -37.5 1.9 237 246 A F E +OP 246 307B 40 70,-2.6 70,-1.6 -2,-0.4 2,-0.4 -0.889 7.6 178.5-105.4 132.5 -22.2 -34.5 4.3 238 247 A V E +O 245 0B 0 7,-1.8 7,-2.4 -2,-0.4 2,-0.3 -0.983 14.3 175.5-135.9 122.3 -19.5 -34.0 6.9 239 248 A G E -O 244 0B 17 -2,-0.4 5,-0.2 65,-0.3 2,-0.2 -0.880 22.9-176.4-129.3 163.9 -19.5 -31.0 9.2 240 249 A N - 0 0 36 3,-2.5 3,-0.4 -2,-0.3 -172,-0.1 -0.718 59.1 -71.2-132.5-174.0 -17.9 -29.1 12.1 241 250 A R S S+ 0 0 93 -2,-0.2 3,-0.1 1,-0.2 -136,-0.1 0.705 128.9 22.8 -57.3 -24.6 -18.9 -25.9 13.9 242 251 A G S S+ 0 0 2 1,-0.2 -140,-2.6 -137,-0.1 2,-0.3 0.506 120.8 38.4-122.4 -4.5 -17.9 -23.7 10.9 243 252 A C E -M 101 0B 2 -3,-0.4 -3,-2.5 -142,-0.2 2,-0.4 -0.995 47.8-165.8-153.3 138.7 -17.9 -25.7 7.8 244 253 A V E -MO 100 239B 45 -144,-2.1 -144,-2.5 -2,-0.3 2,-0.4 -0.995 14.1-160.6-127.4 126.3 -20.0 -28.4 6.1 245 254 A Q E -MO 99 238B 0 -7,-2.4 -7,-1.8 -2,-0.4 2,-0.5 -0.892 6.0-157.1-113.1 130.1 -18.5 -30.2 3.1 246 255 A I E - O 0 237B 2 -148,-2.5 2,-0.4 -2,-0.4 -148,-0.3 -0.950 6.4-164.8-121.6 121.9 -20.7 -32.1 0.7 247 256 A F E - O 0 236B 7 -11,-2.7 -11,-2.0 -2,-0.5 2,-0.4 -0.864 7.0-178.9 -98.9 136.6 -19.8 -34.9 -1.6 248 257 A T E + O 0 235B 9 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.989 40.8 70.3-132.9 124.1 -22.2 -36.0 -4.4 249 258 A G E S- O 0 234B 12 -15,-2.3 -15,-2.9 -2,-0.4 2,-0.2 -0.978 77.9 -48.9 164.6-166.1 -21.2 -38.9 -6.7 250 259 A M - 0 0 77 -2,-0.3 2,-0.7 -17,-0.2 -17,-0.1 -0.585 47.2-115.1 -96.4 158.8 -20.7 -42.6 -6.9 251 260 A I + 0 0 0 -19,-0.4 -20,-0.2 -24,-0.3 3,-0.1 -0.850 30.6 178.1 -97.1 115.8 -18.8 -44.9 -4.5 252 261 A E + 0 0 87 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.861 66.3 2.5 -86.6 -41.0 -15.8 -46.4 -6.2 253 262 A K - 0 0 123 2,-0.0 11,-2.2 0, 0.0 2,-0.4 -0.982 55.9-165.4-151.8 136.3 -14.2 -48.4 -3.4 254 263 A V E +I 263 0A 19 -2,-0.3 9,-0.2 9,-0.2 -3,-0.0 -0.995 18.9 167.1-124.1 129.1 -15.2 -49.1 0.3 255 264 A T E -I 262 0A 44 7,-2.3 7,-1.9 -2,-0.4 2,-0.1 -0.984 24.5-141.3-145.4 128.9 -12.6 -50.6 2.6 256 265 A P E -I 261 0A 86 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.499 12.0-172.8 -80.4 158.1 -12.4 -51.0 6.4 257 266 A H E > -I 260 0A 116 3,-2.4 3,-2.3 1,-0.2 2,-0.2 -0.732 59.7 -61.5-150.4 103.0 -9.2 -50.5 8.4 258 267 A Q T 3 S- 0 0 172 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 -0.436 124.4 -8.9 60.2-119.5 -9.4 -51.4 12.1 259 268 A D T 3 S+ 0 0 89 -2,-0.2 16,-1.2 -3,-0.1 15,-0.9 0.554 123.6 89.3 -81.1 -12.3 -12.1 -49.1 13.6 260 269 A W E < -IJ 257 273A 65 -3,-2.3 -3,-2.4 13,-0.3 2,-0.4 -0.563 58.3-157.6 -89.4 149.6 -12.3 -47.0 10.4 261 270 A I E -IJ 256 272A 1 11,-2.8 11,-2.4 -5,-0.2 2,-0.4 -0.993 22.6-165.8-121.6 133.1 -14.5 -47.4 7.3 262 271 A N E -IJ 255 271A 8 -7,-1.9 -7,-2.3 -2,-0.4 2,-0.5 -0.940 22.1-156.3-125.5 141.1 -13.1 -45.7 4.2 263 272 A V E -IJ 254 270A 0 7,-1.8 7,-1.8 -2,-0.4 2,-0.6 -0.982 15.9-164.9-109.4 127.0 -14.3 -44.7 0.8 264 273 A F E + J 0 269A 81 -11,-2.2 2,-0.2 -2,-0.5 5,-0.2 -0.864 19.2 159.9-117.1 95.0 -11.5 -44.4 -1.7 265 274 A N - 0 0 18 3,-2.7 -14,-0.1 -2,-0.6 -2,-0.0 -0.685 52.4-111.4-105.1 163.9 -12.4 -42.5 -4.9 266 275 A Q S S+ 0 0 169 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.862 119.3 19.7 -58.5 -37.1 -10.1 -40.8 -7.5 267 276 A R S S+ 0 0 91 1,-0.1 -191,-2.8 -191,-0.1 2,-0.3 0.329 125.6 47.9-119.0 6.4 -11.5 -37.4 -6.3 268 277 A F E -F 75 0A 3 -193,-0.2 -3,-2.7 -205,-0.1 2,-0.4 -0.989 53.1-172.9-151.2 137.6 -13.0 -38.1 -2.9 269 278 A T E -FJ 74 264A 24 -195,-2.3 -195,-2.5 -2,-0.3 2,-0.4 -0.998 3.6-169.4-132.4 132.3 -11.9 -39.8 0.3 270 279 A L E -FJ 73 263A 2 -7,-1.8 -7,-1.8 -2,-0.4 2,-0.5 -0.996 3.5-176.3-118.1 131.5 -13.9 -40.5 3.4 271 280 A H E +FJ 72 262A 30 -199,-2.2 -199,-2.8 -2,-0.4 2,-0.4 -0.992 13.4 172.5-122.3 119.0 -12.4 -41.8 6.7 272 281 A L E -FJ 71 261A 0 -11,-2.4 -11,-2.8 -2,-0.5 2,-1.5 -0.995 36.2-129.8-131.0 132.3 -15.0 -42.5 9.3 273 282 A I E > - J 0 260A 32 -203,-2.8 3,-2.0 -2,-0.4 4,-0.3 -0.651 26.2-172.4 -82.2 91.3 -14.5 -44.1 12.7 274 283 A E G > S+ 0 0 51 -2,-1.5 3,-1.2 -15,-0.9 -1,-0.2 0.770 77.5 63.4 -57.1 -33.3 -17.3 -46.7 12.4 275 284 A T G 3 S+ 0 0 92 -16,-1.2 -1,-0.3 1,-0.2 -15,-0.1 0.661 95.8 60.4 -67.7 -16.3 -16.9 -47.8 16.1 276 285 A T G < S+ 0 0 35 -3,-2.0 2,-0.8 -17,-0.2 24,-0.5 0.525 72.7 112.8 -90.6 -8.6 -17.9 -44.4 17.3 277 286 A I < + 0 0 9 -3,-1.2 22,-0.2 -4,-0.3 3,-0.1 -0.556 35.5 167.2 -65.7 106.3 -21.4 -44.5 15.6 278 287 A A + 0 0 40 20,-2.3 2,-0.4 -2,-0.8 21,-0.2 0.831 64.4 21.5 -91.3 -39.6 -23.7 -44.6 18.7 279 288 A E E - Q 0 298B 36 19,-1.8 19,-2.8 -62,-0.1 2,-0.5 -0.999 60.3-166.8-133.7 137.9 -27.0 -43.9 16.9 280 289 A S E - Q 0 297B 0 -65,-0.5 -65,-2.5 -2,-0.4 2,-0.4 -0.988 16.3-169.1-126.8 114.1 -28.0 -44.4 13.3 281 290 A W E -NQ 214 296B 11 15,-2.6 15,-2.4 -2,-0.5 2,-0.5 -0.902 17.8-153.1-111.3 136.0 -31.3 -42.8 12.2 282 291 A I E -NQ 213 295B 0 -69,-3.2 -69,-2.2 -2,-0.4 2,-0.3 -0.902 25.0-176.6 -98.0 127.6 -33.4 -43.0 9.1 283 292 A T E -NQ 212 294B 0 11,-2.1 11,-2.3 -2,-0.5 2,-0.5 -0.965 18.5-161.5-127.6 148.0 -35.4 -39.9 8.5 284 293 A R E - Q 0 293B 89 -73,-2.9 9,-0.2 -2,-0.3 7,-0.1 -0.963 11.3-174.7-130.8 110.8 -38.0 -38.9 5.9 285 294 A K E - Q 0 292B 3 7,-2.3 7,-2.2 -2,-0.5 -99,-0.1 -0.926 22.5-125.8-112.3 122.4 -38.7 -35.3 5.5 286 295 A P + 0 0 16 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.298 32.7 169.9 -66.5 148.6 -41.5 -34.2 3.2 287 296 A T > - 0 0 16 3,-0.3 3,-2.5 -102,-0.1 -102,-0.2 -0.958 52.9 -94.1-146.1 166.0 -40.9 -31.7 0.4 288 297 A K T 3 S+ 0 0 157 -104,-2.1 3,-0.1 -2,-0.3 -103,-0.1 0.754 128.4 48.3 -46.1 -27.6 -42.7 -30.3 -2.7 289 298 A D T 3 S- 0 0 42 1,-0.4 -1,-0.3 -105,-0.3 29,-0.2 0.195 126.1 -87.0-106.8 16.1 -40.9 -33.1 -4.6 290 299 A G < - 0 0 32 -3,-2.5 -1,-0.4 27,-0.1 -3,-0.3 -0.441 68.9 -29.7 108.7 177.1 -41.7 -35.9 -2.3 291 300 A F - 0 0 84 -5,-0.2 2,-0.5 -2,-0.1 27,-0.4 -0.443 53.2-147.5 -67.2 138.6 -40.2 -37.4 0.9 292 301 A V E -Q 285 0B 13 -7,-2.2 -7,-2.3 -2,-0.1 2,-0.4 -0.961 13.1-152.6-109.4 124.1 -36.4 -37.1 1.2 293 302 A T E +Q 284 0B 8 -2,-0.5 17,-0.5 -9,-0.2 2,-0.3 -0.822 17.1 175.7-104.9 130.2 -34.8 -39.9 3.0 294 303 A S E -Q 283 0B 0 -11,-2.3 -11,-2.1 -2,-0.4 2,-0.5 -0.900 28.6-140.2-132.0 155.0 -31.6 -39.7 4.9 295 304 A L E -QR 282 308B 0 13,-1.9 13,-2.3 -2,-0.3 2,-0.4 -0.988 27.2-170.1-110.7 119.2 -29.2 -41.7 7.1 296 305 A E E -QR 281 307B 1 -15,-2.4 -15,-2.6 -2,-0.5 2,-0.4 -0.934 5.5-154.2-118.7 130.3 -27.9 -39.6 10.0 297 306 A L E -QR 280 306B 1 9,-2.5 8,-2.2 -2,-0.4 9,-0.7 -0.890 9.6-172.9-111.8 134.3 -25.1 -40.7 12.3 298 307 A F E -QR 279 304B 3 -19,-2.8 -20,-2.3 -2,-0.4 -19,-1.8 -0.958 15.7-138.0-128.3 139.9 -24.5 -39.6 15.9 299 308 A A > - 0 0 2 4,-2.4 3,-1.9 -2,-0.4 -22,-0.1 -0.358 43.5 -90.9 -81.2 173.9 -21.7 -40.3 18.3 300 309 A A T 3 S+ 0 0 95 -24,-0.5 -1,-0.1 1,-0.3 -23,-0.1 0.803 127.2 49.9 -55.2 -34.7 -22.3 -41.0 22.0 301 310 A D T 3 S- 0 0 113 2,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.364 125.1 -99.7 -87.0 5.1 -22.1 -37.3 23.0 302 311 A G < + 0 0 27 -3,-1.9 -101,-0.1 1,-0.3 -2,-0.1 0.392 68.0 157.1 92.9 -1.1 -24.6 -36.4 20.3 303 312 A T - 0 0 44 1,-0.1 -4,-2.4 -5,-0.1 2,-0.8 -0.328 47.9-120.8 -56.5 133.5 -22.0 -35.1 17.8 304 313 A Q E + R 0 298B 91 -6,-0.2 -65,-0.3 1,-0.2 -6,-0.2 -0.722 34.3 179.5 -77.0 108.2 -23.3 -35.2 14.2 305 314 A I E - 0 0 0 -8,-2.2 -66,-0.3 -2,-0.8 2,-0.3 0.951 55.6 -40.0 -75.4 -55.0 -20.8 -37.5 12.5 306 315 A A E - R 0 297B 0 -9,-0.7 -9,-2.5 -68,-0.1 2,-0.3 -0.963 47.3-140.9-170.5 159.2 -22.1 -37.6 9.0 307 316 A Q E -PR 237 296B 18 -70,-1.6 -70,-2.6 -2,-0.3 2,-0.4 -0.987 11.9-156.2-134.4 141.4 -25.3 -37.7 6.9 308 317 A L E +PR 236 295B 1 -13,-2.3 -13,-1.9 -2,-0.3 2,-0.3 -0.950 16.1 165.9-121.6 141.5 -26.2 -39.5 3.7 309 318 A Y E -P 235 0B 25 -74,-2.0 -74,-3.1 -2,-0.4 2,-0.2 -0.906 38.3-101.1-141.7 164.3 -28.8 -38.8 1.1 310 319 A G E -P 234 0B 5 -17,-0.5 -76,-0.3 -2,-0.3 -77,-0.0 -0.620 54.7 -87.4 -81.9 151.4 -29.6 -39.8 -2.4 311 320 A Q + 0 0 30 -78,-2.3 8,-0.5 -2,-0.2 2,-0.3 -0.332 61.9 159.6 -56.6 141.9 -28.6 -37.5 -5.2 312 321 A R - 0 0 46 6,-0.1 2,-0.3 -3,-0.1 6,-0.1 -0.908 25.6-162.1-165.1 138.3 -31.3 -34.9 -5.9 313 322 A T > - 0 0 75 -2,-0.3 3,-1.9 4,-0.2 -2,-0.0 -0.820 47.9 -70.8-118.1 165.5 -31.7 -31.5 -7.5 314 323 A E T 3 S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 -0.235 118.9 19.9 -61.7 134.7 -34.6 -29.0 -7.1 315 324 A G T 3 S+ 0 0 46 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.458 107.8 95.9 85.6 3.8 -37.8 -30.1 -8.7 316 325 A Q < - 0 0 115 -3,-1.9 -1,-0.3 -26,-0.0 -27,-0.1 -0.924 69.4-125.6-118.2 154.8 -36.8 -33.7 -8.8 317 326 A P - 0 0 73 0, 0.0 -4,-0.2 0, 0.0 2,-0.1 -0.407 36.4 -91.5 -84.3 169.9 -37.6 -36.6 -6.4 318 327 A E - 0 0 8 -27,-0.4 -6,-0.1 -29,-0.2 2,-0.1 -0.501 56.5 -92.9 -73.7 151.5 -35.1 -38.8 -4.7 319 328 A Q > - 0 0 61 -8,-0.5 4,-1.4 -2,-0.1 3,-0.5 -0.403 19.6-132.8 -67.8 142.9 -34.4 -41.9 -6.8 320 329 A T H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 106.9 64.7 -60.6 -38.6 -36.3 -45.0 -6.1 321 330 A Q H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 100.6 49.6 -50.4 -46.0 -33.0 -46.9 -6.1 322 331 A W H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.931 110.4 49.6 -62.0 -47.1 -31.9 -45.0 -3.0 323 332 A R H X S+ 0 0 102 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.896 109.6 52.7 -56.6 -42.8 -35.2 -45.7 -1.1 324 333 A D H X S+ 0 0 93 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.850 109.4 49.2 -60.4 -38.8 -34.7 -49.5 -2.1 325 334 A Q H >< S+ 0 0 0 -4,-1.8 3,-0.8 -5,-0.2 4,-0.2 0.929 110.5 49.2 -69.1 -46.8 -31.2 -49.4 -0.6 326 335 A I H >< S+ 0 0 5 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.852 105.2 59.6 -56.5 -38.4 -32.4 -47.8 2.7 327 336 A A H 3< S+ 0 0 78 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.762 96.1 63.3 -65.9 -23.1 -35.2 -50.4 2.9 328 337 A R T << S+ 0 0 117 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.542 83.3 101.9 -77.4 -9.5 -32.5 -53.1 3.0 329 338 A L S < S- 0 0 13 -3,-1.6 2,-0.4 -4,-0.2 -3,-0.0 -0.471 80.5-105.7 -76.5 150.8 -31.2 -51.8 6.3 330 339 A N - 0 0 85 -2,-0.1 -114,-2.4 1,-0.1 -111,-0.1 -0.649 19.4-133.6 -88.2 132.3 -32.0 -53.5 9.6 331 340 A N 0 0 120 -2,-0.4 -117,-0.2 -116,-0.2 -1,-0.1 0.406 360.0 360.0 -64.2 -9.4 -34.5 -51.9 12.0 332 341 A K 0 0 158 -119,-0.1 -1,-0.2 0, 0.0 -117,-0.1 -0.375 360.0 360.0 59.6 360.0 -32.6 -52.2 15.3