==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-AUG-10 3OI8 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP B; . AUTHOR R.ZHANG,K.TAN,H.LI,G.COBB,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 310 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 2 0.6 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 . 9 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 0 0 0 0 0 1 3 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 0 0 4 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 4 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 21 A S 0 0 154 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-103.7 -9.6 16.2 5.3 2 22 A N - 0 0 138 2,-0.0 2,-0.3 173,-0.0 173,-0.1 -0.929 360.0-179.6-168.3 144.8 -8.4 18.8 7.9 3 23 A A - 0 0 29 171,-0.3 2,-0.3 -2,-0.3 3,-0.0 -0.907 12.4-155.6-146.9 170.1 -10.0 21.4 10.2 4 24 A S >> - 0 0 61 -2,-0.3 4,-1.5 1,-0.1 3,-0.6 -0.892 42.4-103.5-139.5 164.5 -9.4 24.0 12.8 5 25 A A H 3> S+ 0 0 44 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.868 122.4 65.0 -58.3 -32.5 -11.5 25.5 15.6 6 26 A E H 3> S+ 0 0 134 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.879 98.8 50.0 -56.4 -40.7 -11.8 28.4 13.1 7 27 A D H <> S+ 0 0 82 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.898 111.5 48.7 -67.7 -37.5 -13.7 26.2 10.7 8 28 A V H X S+ 0 0 5 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.932 110.2 51.6 -66.3 -46.0 -16.1 25.1 13.5 9 29 A L H X S+ 0 0 33 -4,-3.1 4,-3.3 2,-0.2 5,-0.3 0.927 110.9 47.5 -53.8 -50.2 -16.6 28.8 14.5 10 30 A N H X S+ 0 0 93 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.930 111.2 52.3 -55.6 -47.6 -17.4 29.7 10.9 11 31 A L H X S+ 0 0 36 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.924 115.4 40.3 -54.1 -47.9 -19.8 26.8 10.8 12 32 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.896 112.7 52.5 -72.9 -42.2 -21.5 27.9 14.0 13 33 A R H X S+ 0 0 111 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.855 109.4 54.4 -60.2 -33.1 -21.5 31.6 13.2 14 34 A Q H X S+ 0 0 81 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.936 106.0 48.9 -64.0 -49.0 -23.1 30.5 9.9 15 35 A A H <>S+ 0 0 1 -4,-1.8 5,-2.8 1,-0.2 6,-0.4 0.924 109.9 52.9 -61.2 -43.3 -26.0 28.6 11.6 16 36 A H H ><5S+ 0 0 60 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.906 108.8 48.3 -56.0 -45.6 -26.7 31.6 13.9 17 37 A E H 3<5S+ 0 0 133 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.768 110.7 51.6 -69.1 -24.6 -27.0 34.0 10.9 18 38 A Q T 3<5S- 0 0 111 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.186 119.1-120.0 -90.2 12.5 -29.3 31.4 9.3 19 39 A E T < 5 + 0 0 175 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.681 69.7 140.2 58.0 24.9 -31.2 31.6 12.6 20 40 A V S - 0 0 87 -2,-0.3 4,-2.4 -3,-0.1 3,-0.3 -0.240 36.6 -95.5 -94.5 175.1 -29.9 32.6 18.7 23 43 A A H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.885 121.6 51.9 -53.3 -46.0 -27.2 35.0 19.7 24 44 A D H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 109.4 48.8 -59.8 -42.8 -27.1 33.7 23.3 25 45 A T H > S+ 0 0 7 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.920 109.0 54.4 -63.8 -41.8 -26.7 30.1 22.2 26 46 A L H X S+ 0 0 14 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.891 107.9 49.0 -58.3 -41.3 -23.9 31.1 19.9 27 47 A L H X S+ 0 0 97 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.862 110.4 51.6 -68.5 -33.3 -22.0 32.7 22.7 28 48 A R H X S+ 0 0 40 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.923 110.5 48.0 -69.9 -42.1 -22.5 29.6 24.8 29 49 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.900 111.8 49.0 -63.6 -43.9 -21.2 27.3 22.1 30 50 A E H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.859 108.8 54.2 -64.4 -36.3 -18.1 29.5 21.4 31 51 A K H X S+ 0 0 76 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.928 108.0 49.2 -63.1 -43.1 -17.4 29.6 25.2 32 52 A V H X S+ 0 0 6 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.909 110.5 51.7 -60.9 -41.6 -17.4 25.8 25.3 33 53 A L H < S+ 0 0 11 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.895 112.0 44.8 -60.8 -44.0 -15.1 25.8 22.3 34 54 A D H >< S+ 0 0 106 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.867 109.5 57.0 -67.9 -38.1 -12.7 28.2 24.0 35 55 A F H >< S+ 0 0 12 -4,-2.5 3,-1.8 1,-0.3 86,-0.3 0.827 95.2 66.2 -61.2 -32.9 -12.9 26.2 27.3 36 56 A S T 3< S+ 0 0 28 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.626 96.5 56.3 -68.9 -15.0 -11.8 23.1 25.5 37 57 A D T < S+ 0 0 128 -3,-1.4 -1,-0.3 -4,-0.3 2,-0.2 0.492 91.6 97.6 -91.7 -4.1 -8.4 24.6 24.9 38 58 A L < - 0 0 59 -3,-1.8 83,-2.4 -4,-0.2 84,-0.4 -0.560 51.9-163.4 -97.4 151.5 -7.7 25.3 28.6 39 59 A E B > -A 120 0A 73 81,-0.3 3,-2.0 -2,-0.2 4,-0.5 -0.760 42.6 -95.0-121.2 168.6 -5.8 23.4 31.2 40 60 A V G >> S+ 0 0 0 79,-2.6 3,-2.0 1,-0.3 4,-1.5 0.892 121.9 66.5 -47.4 -43.2 -5.6 23.4 35.0 41 61 A R G 34 S+ 0 0 118 76,-2.3 -1,-0.3 1,-0.3 77,-0.1 0.805 96.4 55.1 -43.2 -40.4 -2.7 25.7 34.6 42 62 A D G <4 S+ 0 0 102 -3,-2.0 -1,-0.3 75,-0.2 -2,-0.2 0.612 117.8 29.7 -78.5 -13.1 -5.0 28.4 33.2 43 63 A A T <4 S+ 0 0 24 -3,-2.0 107,-0.3 -4,-0.5 -1,-0.2 0.451 92.8 112.1-125.6 -5.9 -7.5 28.5 36.1 44 64 A X < - 0 0 48 -4,-1.5 2,-0.5 105,-0.1 105,-0.2 -0.258 64.3-124.9 -76.6 157.1 -5.5 27.6 39.1 45 65 A I E -B 148 0B 57 103,-3.0 103,-2.2 2,-0.0 93,-0.2 -0.910 40.0-116.9 -94.5 124.1 -4.5 29.7 42.2 46 66 A T E >> -B 147 0B 57 -2,-0.5 3,-2.3 101,-0.2 4,-0.5 -0.257 21.2-110.0 -69.3 152.5 -0.7 29.5 42.5 47 67 A R G >4 S+ 0 0 95 99,-2.5 3,-1.7 1,-0.3 100,-0.1 0.866 114.7 55.4 -46.2 -54.3 0.9 27.9 45.6 48 68 A S G 34 S+ 0 0 86 1,-0.3 -1,-0.3 98,-0.2 -2,-0.1 0.603 112.5 46.2 -62.3 -6.9 2.2 31.1 47.1 49 69 A R G <4 S+ 0 0 196 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.437 82.6 113.5-114.7 -2.9 -1.3 32.6 47.0 50 70 A X << - 0 0 6 -3,-1.7 2,-0.7 -4,-0.5 24,-0.0 -0.441 64.4-130.2 -69.8 145.3 -3.5 29.8 48.4 51 71 A N + 0 0 57 -2,-0.1 2,-0.2 18,-0.0 -1,-0.1 -0.878 39.8 175.2 -93.5 115.6 -5.2 30.3 51.8 52 72 A V - 0 0 8 -2,-0.7 2,-0.4 22,-0.2 24,-0.2 -0.752 27.4-130.5-119.8 165.6 -4.4 27.3 53.9 53 73 A L E -e 76 0C 4 22,-2.3 24,-2.8 -2,-0.2 2,-0.3 -0.930 25.3-120.7-114.7 142.8 -5.0 26.0 57.4 54 74 A K E > -e 77 0C 102 -2,-0.4 3,-1.7 22,-0.2 24,-0.2 -0.626 21.6-122.5 -83.4 138.0 -2.3 24.6 59.7 55 75 A E T 3 S+ 0 0 61 22,-2.4 50,-0.2 -2,-0.3 -1,-0.1 0.833 107.3 35.2 -38.9 -50.3 -2.8 21.0 61.0 56 76 A N T 3 S+ 0 0 147 22,-0.1 -1,-0.3 49,-0.1 22,-0.0 0.223 84.6 130.5-104.2 14.0 -2.6 21.9 64.7 57 77 A D < - 0 0 40 -3,-1.7 48,-0.2 1,-0.1 2,-0.1 -0.241 60.8-102.5 -68.4 158.0 -4.3 25.3 64.8 58 78 A S > - 0 0 43 1,-0.1 4,-2.8 4,-0.0 5,-0.3 -0.387 23.8-115.4 -79.2 157.5 -7.1 26.0 67.3 59 79 A I H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.902 116.0 54.3 -58.3 -38.3 -10.8 26.0 66.5 60 80 A E H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 112.3 41.2 -62.9 -44.1 -10.9 29.8 67.3 61 81 A R H > S+ 0 0 162 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.921 115.8 49.9 -73.2 -44.7 -8.1 30.7 64.9 62 82 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.964 112.5 47.8 -52.6 -53.5 -9.3 28.4 62.2 63 83 A T H X S+ 0 0 3 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.903 111.6 49.0 -59.9 -44.6 -12.8 29.8 62.4 64 84 A A H X S+ 0 0 61 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.884 112.9 48.1 -62.5 -38.3 -11.7 33.4 62.4 65 85 A Y H X S+ 0 0 81 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.924 110.4 51.4 -69.1 -43.7 -9.5 32.8 59.3 66 86 A V H X S+ 0 0 3 -4,-2.8 4,-1.5 1,-0.2 5,-0.3 0.896 113.6 44.6 -59.1 -42.6 -12.3 31.0 57.5 67 87 A I H < S+ 0 0 80 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.928 112.1 52.9 -67.9 -43.7 -14.7 33.9 58.1 68 88 A D H < S+ 0 0 136 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.898 117.1 36.0 -59.1 -45.6 -12.1 36.5 57.2 69 89 A T H < S- 0 0 32 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.717 94.1-148.8 -84.1 -21.6 -11.2 34.9 53.8 70 90 A A < + 0 0 60 -4,-1.5 -3,-0.1 -5,-0.3 -4,-0.1 0.608 43.6 144.9 65.5 13.4 -14.8 33.9 53.2 71 91 A H - 0 0 82 -5,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.401 47.6-143.8 -75.9 162.4 -13.8 30.8 51.2 72 92 A S S S+ 0 0 32 1,-0.2 18,-3.5 -3,-0.1 19,-0.4 0.753 81.1 34.6 -95.2 -29.9 -15.8 27.6 51.4 73 93 A R E - F 0 89C 34 16,-0.2 16,-0.2 17,-0.1 -1,-0.2 -0.974 63.4-172.0-132.3 144.7 -12.9 25.1 51.2 74 94 A F E - F 0 88C 0 14,-2.7 14,-3.1 -2,-0.3 -22,-0.2 -0.995 24.7-125.3-139.6 127.7 -9.3 25.1 52.5 75 95 A P E - F 0 87C 0 0, 0.0 -22,-2.3 0, 0.0 2,-0.5 -0.470 28.0-141.9 -60.8 142.4 -6.3 22.9 52.0 76 96 A V E -eF 53 86C 2 10,-3.1 9,-3.4 -24,-0.2 10,-1.0 -0.954 21.6-160.2-111.5 131.2 -4.9 21.8 55.4 77 97 A I E -eF 54 84C 5 -24,-2.8 -22,-2.4 -2,-0.5 7,-0.2 -0.734 19.4-160.3-116.3 157.6 -1.1 21.6 55.6 78 98 A G S S- 0 0 16 5,-2.3 -23,-0.2 2,-0.6 -1,-0.2 0.585 83.4 -11.8 -94.1-108.8 1.5 20.0 57.7 79 99 A E S S- 0 0 167 1,-0.1 2,-0.3 -25,-0.1 -2,-0.1 0.835 129.4 -29.6 -68.4 -35.7 5.0 21.4 57.7 80 100 A D S > S- 0 0 67 3,-0.1 3,-2.3 0, 0.0 -2,-0.6 -0.921 82.8 -67.3-166.2-173.7 4.4 23.7 54.6 81 101 A K T 3 S+ 0 0 52 1,-0.3 3,-0.2 -2,-0.3 66,-0.1 0.618 122.2 67.4 -72.3 -9.5 2.4 23.9 51.5 82 102 A D T 3 S+ 0 0 87 1,-0.2 2,-0.4 62,-0.1 -1,-0.3 0.437 95.2 62.2 -84.9 0.0 4.2 20.9 49.9 83 103 A E < + 0 0 89 -3,-2.3 -5,-2.3 61,-0.0 2,-0.5 -0.705 69.3 176.1-122.5 79.9 2.6 18.7 52.6 84 104 A V E -F 77 0C 20 -2,-0.4 -7,-0.2 -7,-0.2 28,-0.1 -0.757 7.3-177.8 -87.3 125.4 -1.2 19.0 52.0 85 105 A L E - 0 0 56 -9,-3.4 2,-0.3 -2,-0.5 27,-0.2 0.631 55.4 -56.1 -96.3 -18.7 -3.0 16.6 54.4 86 106 A G E -F 76 0C 0 -10,-1.0 -10,-3.1 25,-0.2 2,-0.4 -0.986 55.9 -76.3 164.3-176.3 -6.5 17.2 53.2 87 107 A I E -FG 75 110C 8 23,-3.1 23,-2.8 -2,-0.3 2,-0.5 -0.974 28.7-154.4-121.1 132.8 -9.3 19.6 52.5 88 108 A L E -F 74 0C 0 -14,-3.1 -14,-2.7 -2,-0.4 2,-0.5 -0.948 9.2-148.0-104.4 130.6 -11.5 21.3 55.2 89 109 A H E >> -F 73 0C 21 -2,-0.5 3,-2.6 19,-0.3 4,-0.6 -0.876 16.3-133.9 -94.3 122.9 -15.0 22.4 54.1 90 110 A A G >4 S+ 0 0 1 -18,-3.5 3,-1.5 -2,-0.5 4,-0.3 0.834 103.1 55.7 -46.0 -42.9 -16.0 25.5 56.1 91 111 A K G >4 S+ 0 0 43 -19,-0.4 3,-0.8 1,-0.3 -1,-0.3 0.620 91.8 70.4 -74.9 -10.4 -19.5 24.2 56.9 92 112 A D G X4 S+ 0 0 11 -3,-2.6 3,-1.4 1,-0.2 -1,-0.3 0.729 86.1 70.4 -73.0 -19.8 -18.1 21.0 58.4 93 113 A L G X< S+ 0 0 0 -3,-1.5 3,-2.2 -4,-0.6 -1,-0.2 0.752 79.9 75.1 -64.8 -22.9 -16.9 23.2 61.3 94 114 A L G X S+ 0 0 3 -3,-0.8 3,-1.8 1,-0.3 4,-0.3 0.688 75.4 78.4 -67.6 -16.7 -20.6 23.7 62.3 95 115 A K G < S+ 0 0 92 -3,-1.4 -1,-0.3 1,-0.3 3,-0.2 0.706 97.3 46.2 -59.6 -18.5 -20.4 20.1 63.7 96 116 A Y G < S+ 0 0 24 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.140 75.4 115.5-113.0 18.8 -18.6 21.8 66.6 97 117 A X S < S+ 0 0 2 -3,-1.8 -1,-0.1 1,-0.2 -2,-0.1 0.888 90.6 25.8 -55.1 -42.4 -21.0 24.7 67.1 98 118 A F S S+ 0 0 92 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.528 130.4 39.1-105.6 -5.6 -22.1 23.6 70.6 99 119 A N > + 0 0 40 -4,-0.1 3,-1.7 1,-0.1 -1,-0.2 -0.475 59.6 153.2-138.1 62.8 -19.0 21.5 71.6 100 120 A P G > S+ 0 0 30 0, 0.0 3,-2.3 0, 0.0 -41,-0.2 0.829 70.4 69.8 -64.6 -27.9 -16.0 23.5 70.4 101 121 A E G 3 S+ 0 0 152 1,-0.3 -5,-0.0 -3,-0.1 -2,-0.0 0.723 95.7 55.1 -61.0 -19.9 -13.9 21.9 73.2 102 122 A Q G < S+ 0 0 122 -3,-1.7 -1,-0.3 -6,-0.1 -6,-0.0 0.407 77.2 143.7 -93.7 3.7 -14.3 18.6 71.3 103 123 A F < + 0 0 40 -3,-2.3 2,-0.3 -7,-0.1 -44,-0.1 -0.122 19.4 172.2 -47.2 129.9 -12.8 20.0 68.1 104 124 A H >> - 0 0 103 1,-0.1 3,-1.8 -45,-0.0 4,-0.5 -0.843 19.0-161.5-145.2 99.6 -10.7 17.4 66.3 105 125 A L H >> S+ 0 0 12 -2,-0.3 3,-1.8 1,-0.3 4,-1.2 0.877 90.4 57.6 -56.8 -41.7 -9.6 18.6 62.9 106 126 A K H 34 S+ 0 0 114 1,-0.3 -1,-0.3 2,-0.2 -51,-0.0 0.739 96.3 66.4 -61.0 -23.3 -8.8 15.0 61.7 107 127 A S H <4 S+ 0 0 74 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.719 115.4 25.6 -67.6 -22.1 -12.4 14.0 62.5 108 128 A I H << S+ 0 0 8 -3,-1.8 -19,-0.3 -4,-0.5 2,-0.2 0.427 91.3 117.8-122.2 -3.7 -13.7 16.3 59.7 109 129 A L < - 0 0 35 -4,-1.2 -21,-0.2 -21,-0.1 -3,-0.0 -0.476 50.5-150.7 -69.2 132.9 -10.8 16.6 57.3 110 130 A R B -G 87 0C 100 -23,-2.8 -23,-3.1 -2,-0.2 -2,-0.1 -0.767 25.4 -97.9-101.1 153.0 -11.5 15.2 53.8 111 131 A P - 0 0 115 0, 0.0 2,-0.3 0, 0.0 -25,-0.2 -0.346 39.8-118.2 -64.7 145.4 -8.8 13.6 51.5 112 132 A A - 0 0 19 -27,-0.2 2,-0.5 -28,-0.1 24,-0.1 -0.659 14.8-137.8 -85.3 140.8 -7.4 15.9 48.8 113 133 A V - 0 0 39 22,-0.4 24,-3.1 -2,-0.3 2,-0.4 -0.854 22.6-151.3 -93.7 132.3 -7.8 15.1 45.1 114 134 A F E +c 137 0B 103 -2,-0.5 24,-0.2 22,-0.2 34,-0.0 -0.862 18.0 173.5-109.0 141.2 -4.5 15.8 43.2 115 135 A V E -c 138 0B 6 22,-2.4 24,-2.6 -2,-0.4 2,-0.1 -0.993 28.6-116.5-142.6 150.4 -4.2 16.8 39.5 116 136 A P E > -c 139 0B 73 0, 0.0 3,-1.2 0, 0.0 -76,-0.2 -0.417 29.9-114.2 -80.5 161.3 -1.3 17.8 37.2 117 137 A E T 3 S+ 0 0 38 22,-0.7 -76,-2.3 1,-0.2 -75,-0.2 0.722 111.6 60.7 -68.0 -23.3 -1.1 21.3 35.6 118 138 A G T 3 S+ 0 0 32 -78,-0.2 -1,-0.2 -79,-0.1 2,-0.1 0.520 74.6 119.8 -86.2 -5.7 -1.5 19.9 32.1 119 139 A K S < S- 0 0 44 -3,-1.2 -79,-2.6 1,-0.1 -78,-0.2 -0.345 70.6-110.6 -64.0 136.3 -4.9 18.3 32.7 120 140 A S B > -A 39 0A 29 -81,-0.2 4,-2.3 1,-0.1 -81,-0.3 -0.404 13.5-133.0 -67.6 141.2 -7.7 19.6 30.5 121 141 A L H > S+ 0 0 3 -83,-2.4 4,-3.1 -86,-0.3 5,-0.2 0.822 107.8 59.8 -61.7 -32.3 -10.4 21.8 32.2 122 142 A T H > S+ 0 0 4 -84,-0.4 4,-1.9 -87,-0.3 -1,-0.2 0.911 108.4 43.7 -62.2 -42.2 -13.1 19.7 30.4 123 143 A A H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.905 114.5 50.0 -66.8 -42.7 -11.7 16.5 32.1 124 144 A L H X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.940 109.8 50.9 -60.4 -44.9 -11.5 18.4 35.4 125 145 A L H X S+ 0 0 6 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.907 110.0 49.6 -61.4 -41.0 -15.0 19.7 35.1 126 146 A K H X S+ 0 0 67 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.930 112.9 46.9 -64.0 -45.2 -16.3 16.2 34.4 127 147 A E H X S+ 0 0 55 -4,-2.4 4,-2.8 2,-0.2 6,-0.4 0.878 110.1 52.2 -65.0 -38.9 -14.5 14.8 37.4 128 148 A F H <>S+ 0 0 2 -4,-3.0 5,-1.7 2,-0.2 4,-0.5 0.924 111.8 47.5 -59.3 -44.3 -15.7 17.6 39.7 129 149 A R H <5S+ 0 0 116 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.903 117.0 42.8 -67.7 -39.0 -19.3 16.9 38.6 130 150 A E H <5S+ 0 0 138 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.966 118.1 41.1 -68.8 -55.7 -18.9 13.2 39.1 131 151 A Q T <5S- 0 0 95 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.400 104.4-123.2 -74.5 1.3 -17.0 13.1 42.4 132 152 A R T 5 + 0 0 205 -4,-0.5 2,-0.2 -3,-0.3 -3,-0.2 0.902 62.9 156.5 49.4 39.1 -19.2 15.9 43.8 133 153 A N < - 0 0 32 -5,-1.7 -1,-0.2 -6,-0.4 3,-0.1 -0.627 33.2-179.9 -93.1 153.8 -15.8 17.5 44.2 134 154 A H + 0 0 37 1,-0.3 17,-2.8 -2,-0.2 2,-0.3 0.537 65.6 33.1-125.1 -20.6 -15.2 21.3 44.4 135 155 A X E - D 0 150B 14 15,-0.2 -22,-0.4 16,-0.1 2,-0.3 -0.994 55.1-173.3-141.3 143.0 -11.4 21.7 44.8 136 156 A A E - D 0 149B 0 13,-2.8 13,-2.5 -2,-0.3 2,-0.5 -0.958 25.1-124.8-129.8 157.1 -8.3 19.9 43.7 137 157 A I E -cD 114 148B 0 -24,-3.1 -22,-2.4 -2,-0.3 2,-0.4 -0.878 25.6-135.5-100.0 129.7 -4.7 20.4 44.6 138 158 A V E -cD 115 147B 0 9,-2.6 8,-3.1 -2,-0.5 9,-1.5 -0.746 18.5-158.4 -91.1 130.1 -2.4 20.9 41.6 139 159 A I E -cD 116 145B 35 -24,-2.6 -22,-0.7 -2,-0.4 6,-0.2 -0.867 9.7-133.0-109.9 138.5 0.9 19.0 41.6 140 160 A D > - 0 0 39 4,-3.1 3,-1.6 -2,-0.4 6,-0.1 -0.254 39.8 -90.2 -81.4 177.8 4.0 19.9 39.7 141 161 A E T 3 S+ 0 0 141 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.463 125.9 50.2 -71.9 2.8 6.0 17.4 37.7 142 162 A Y T 3 S- 0 0 200 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.411 121.8 -96.6-118.0 -3.1 8.2 16.6 40.7 143 163 A G S < S+ 0 0 53 -3,-1.6 -2,-0.1 1,-0.4 2,-0.1 0.275 83.4 125.0 103.9 -10.3 5.5 16.0 43.3 144 164 A G S S- 0 0 16 1,-0.1 -4,-3.1 -5,-0.1 2,-0.4 -0.358 70.8 -92.7 -78.7 163.2 5.5 19.5 44.9 145 165 A T E + D 0 139B 3 -6,-0.2 -6,-0.3 1,-0.2 -1,-0.1 -0.641 37.1 177.1 -77.8 124.9 2.4 21.7 45.2 146 166 A S E - 0 0 7 -8,-3.1 -99,-2.5 -2,-0.4 2,-0.3 0.704 58.3 -78.6 -96.0 -30.0 1.8 24.0 42.3 147 167 A G E -BD 46 138B 0 -9,-1.5 -9,-2.6 -101,-0.3 -1,-0.4 -0.984 48.6 -79.9 164.3-153.9 -1.4 25.5 43.6 148 168 A L E -BD 45 137B 6 -103,-2.2 -103,-3.0 -2,-0.3 2,-0.3 -0.919 26.1-154.2-138.9 162.8 -5.1 24.6 43.8 149 169 A V E - D 0 136B 0 -13,-2.5 -13,-2.8 -2,-0.3 2,-0.3 -0.997 10.0-156.1-142.4 140.9 -8.1 24.7 41.4 150 170 A T E > - D 0 135B 22 -2,-0.3 4,-1.5 -107,-0.3 -15,-0.2 -0.895 25.1-129.3-123.6 151.4 -11.8 25.1 42.1 151 171 A F H >> S+ 0 0 6 -17,-2.8 4,-1.9 -2,-0.3 3,-0.5 0.933 110.9 53.5 -53.6 -51.5 -15.1 24.2 40.4 152 172 A E H 34 S+ 0 0 61 -18,-0.3 4,-0.3 1,-0.3 -1,-0.2 0.823 107.1 52.8 -62.7 -29.5 -16.4 27.7 40.9 153 173 A D H 34 S+ 0 0 50 1,-0.2 3,-0.3 -3,-0.2 -1,-0.3 0.848 111.8 43.9 -70.7 -36.8 -13.4 29.2 39.3 154 174 A I H << S+ 0 0 8 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.746 110.3 53.0 -84.7 -22.3 -13.7 27.1 36.1 155 175 A I < 0 0 4 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.461 360.0 360.0 -89.7 -2.7 -17.4 27.5 35.6 156 176 A E 0 0 107 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.745 360.0 360.0 -45.2 360.0 -17.0 31.2 35.8 157 !* 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 0.0 158 22 B N >> 0 0 145 0, 0.0 4,-1.4 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 155.3 -35.5 19.5 12.4 159 23 B A H 3> + 0 0 71 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.692 360.0 63.0 -56.5 -29.1 -32.9 19.3 9.6 160 24 B S H 3> S+ 0 0 61 2,-0.2 4,-1.7 1,-0.1 -1,-0.3 0.959 107.4 41.5 -59.1 -52.7 -31.0 22.5 10.7 161 25 B A H <> S+ 0 0 46 -3,-0.8 4,-2.3 1,-0.2 -2,-0.2 0.930 110.7 53.8 -66.0 -52.2 -30.0 21.0 14.1 162 26 B E H X S+ 0 0 112 -4,-1.4 4,-2.2 1,-0.2 5,-0.2 0.920 108.7 52.3 -46.4 -50.1 -29.0 17.5 13.0 163 27 B D H X S+ 0 0 81 -4,-1.6 4,-1.6 1,-0.2 5,-0.2 0.913 105.9 50.3 -58.6 -51.2 -26.7 19.0 10.4 164 28 B V H X S+ 0 0 7 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.924 111.1 55.1 -53.0 -44.6 -24.8 21.3 12.8 165 29 B L H >X S+ 0 0 16 -4,-2.3 4,-2.0 1,-0.2 3,-0.8 0.958 104.2 47.8 -52.3 -61.5 -24.4 18.2 15.0 166 30 B N H 3X S+ 0 0 68 -4,-2.2 4,-1.5 1,-0.3 -1,-0.2 0.785 110.6 53.3 -64.2 -21.7 -22.8 15.8 12.5 167 31 B L H 3X S+ 0 0 54 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.3 0.826 105.9 53.7 -76.1 -31.1 -20.3 18.4 11.5 168 32 B L H S+ 0 0 6 -4,-1.7 5,-2.9 1,-0.2 6,-0.5 0.787 108.1 52.5 -68.7 -24.2 -14.5 18.1 13.8 172 36 B H H ><5S+ 0 0 56 -4,-1.0 3,-2.1 -3,-0.2 -2,-0.2 0.919 105.7 50.6 -75.4 -46.7 -13.9 15.7 16.6 173 37 B E H 3<5S+ 0 0 160 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.618 108.3 56.7 -67.0 -11.6 -12.8 12.8 14.5 174 38 B Q T 3<5S- 0 0 51 -4,-0.7 -171,-0.3 -5,-0.2 -1,-0.3 0.292 120.5-109.9-101.8 6.8 -10.4 15.4 13.0 175 39 B E T < 5S+ 0 0 182 -3,-2.1 -3,-0.2 2,-0.3 -2,-0.1 0.670 80.0 128.9 77.6 19.6 -8.8 16.2 16.4 176 40 B V S > - 0 0 62 -2,-0.3 4,-2.2 -142,-0.1 3,-0.6 -0.291 38.5 -95.1 -89.5 171.9 -12.1 15.8 22.3 179 43 B A H 3> S+ 0 0 58 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.820 121.6 57.9 -55.7 -36.9 -15.1 13.6 23.2 180 44 B D H 3> S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.913 108.5 45.5 -61.7 -44.1 -15.7 15.5 26.4 181 45 B T H <> S+ 0 0 0 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.903 109.5 55.5 -64.1 -44.0 -16.1 18.8 24.5 182 46 B L H X S+ 0 0 18 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.919 107.0 51.0 -53.2 -46.4 -18.3 17.2 21.9 183 47 B L H X S+ 0 0 73 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.956 109.9 48.6 -58.4 -51.5 -20.6 16.1 24.7 184 48 B R H X S+ 0 0 43 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.910 113.8 47.1 -54.7 -45.2 -20.7 19.6 26.2 185 49 B L H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.948 112.0 49.2 -64.0 -50.2 -21.5 21.1 22.7 186 50 B E H >X S+ 0 0 37 -4,-3.2 4,-2.3 1,-0.2 3,-0.7 0.947 112.1 49.6 -51.4 -52.8 -24.2 18.4 22.0 187 51 B K H 3X S+ 0 0 73 -4,-3.1 4,-1.8 1,-0.3 -1,-0.2 0.921 106.8 53.9 -53.8 -49.5 -25.8 19.1 25.3 188 52 B V H 3< S+ 0 0 6 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.780 118.8 37.5 -58.4 -27.7 -25.8 22.9 24.8 189 53 B L H X< S+ 0 0 21 -4,-1.5 3,-3.4 -3,-0.7 4,-0.3 0.938 114.8 46.9 -84.1 -73.9 -27.6 22.2 21.5 190 54 B D H 3< S+ 0 0 93 -4,-2.3 3,-0.2 1,-0.3 -3,-0.2 0.704 124.5 39.1 -39.5 -25.5 -30.0 19.3 22.2 191 55 B F T >< S+ 0 0 110 -4,-1.8 3,-1.1 -5,-0.4 -1,-0.3 0.041 79.5 107.3-118.9 24.2 -31.0 21.3 25.3 192 56 B S T < S+ 0 0 37 -3,-3.4 86,-0.2 1,-0.2 -2,-0.1 0.626 77.2 59.5 -79.2 -11.9 -31.0 24.9 24.1 193 57 B D T 3 S+ 0 0 122 -4,-0.3 -1,-0.2 -3,-0.2 2,-0.1 0.152 82.1 123.1 -97.9 15.8 -34.8 24.9 24.2 194 58 B L < - 0 0 42 -3,-1.1 83,-1.9 3,-0.0 84,-0.4 -0.449 44.6-155.9 -84.0 154.0 -34.9 24.2 28.0 195 59 B E B >> -H 276 0D 69 81,-0.3 3,-2.2 -2,-0.1 4,-0.7 -0.829 35.6-101.4-124.1 164.0 -36.6 26.4 30.6 196 60 B V H >> S+ 0 0 0 79,-3.2 3,-1.8 1,-0.3 4,-1.0 0.893 120.9 65.7 -48.2 -44.2 -36.2 26.9 34.3 197 61 B R H 34 S+ 0 0 103 76,-2.7 3,-0.3 1,-0.3 -1,-0.3 0.794 98.0 54.5 -44.6 -37.1 -39.2 24.6 34.7 198 62 B D H <4 S+ 0 0 95 -3,-2.2 -1,-0.3 75,-0.2 -2,-0.2 0.669 115.9 33.2 -79.2 -21.3 -37.1 21.8 33.3 199 63 B A H << S+ 0 0 22 -3,-1.8 107,-0.3 -4,-0.7 -1,-0.2 0.346 91.4 117.5-116.4 4.1 -34.2 22.0 35.7 200 64 B X < - 0 0 37 -4,-1.0 2,-0.6 -3,-0.3 105,-0.2 -0.371 65.8-123.4 -82.6 153.6 -35.8 23.1 39.0 201 65 B I E -I 304 0E 31 103,-3.2 103,-2.3 -2,-0.1 5,-0.1 -0.851 45.2-119.9 -83.6 118.5 -36.0 21.4 42.3 202 66 B T E >> -I 303 0E 59 -2,-0.6 3,-1.6 101,-0.2 4,-0.7 -0.180 21.6-101.8 -69.8 157.6 -39.8 21.3 42.8 203 67 B R G >4 S+ 0 0 103 99,-2.0 3,-1.0 1,-0.3 100,-0.1 0.836 119.2 52.2 -47.2 -45.1 -41.5 23.0 45.8 204 68 B S G 34 S+ 0 0 100 1,-0.2 -1,-0.3 98,-0.2 99,-0.1 0.778 110.3 49.1 -67.0 -25.4 -42.0 19.8 47.8 205 69 B R G <4 S+ 0 0 155 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.467 83.6 113.7 -93.6 -4.2 -38.3 18.8 47.5 206 70 B X << - 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0 0 45 -3,-1.6 -79,-3.2 1,-0.1 -78,-0.2 -0.496 69.2-110.3 -68.4 139.6 -37.2 31.5 31.6 276 140 B S B > -H 195 0D 41 -81,-0.3 4,-2.5 -2,-0.2 -81,-0.3 -0.444 12.9-133.0 -69.6 143.5 -34.7 29.8 29.3 277 141 B L H > S+ 0 0 12 -83,-1.9 4,-3.6 1,-0.2 5,-0.3 0.928 109.1 60.0 -59.0 -43.2 -31.8 28.0 31.0 278 142 B T H > S+ 0 0 9 -84,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.915 108.3 42.4 -52.2 -47.0 -29.5 29.8 28.6 279 143 B A H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 114.5 51.3 -66.7 -42.5 -30.7 33.2 29.9 280 144 B L H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.946 107.4 52.2 -58.2 -50.7 -30.6 32.0 33.5 281 145 B L H X S+ 0 0 5 -4,-3.6 4,-2.3 1,-0.2 -1,-0.2 0.904 109.9 51.0 -50.4 -45.6 -27.1 30.7 33.1 282 146 B K H X S+ 0 0 88 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.909 111.2 46.4 -59.6 -46.5 -26.1 34.1 31.8 283 147 B E H X S+ 0 0 46 -4,-2.3 4,-2.6 2,-0.2 6,-0.3 0.849 109.0 55.1 -69.4 -35.2 -27.7 35.9 34.7 284 148 B F H X>S+ 0 0 1 -4,-2.8 5,-2.0 2,-0.2 4,-0.8 0.952 111.5 45.0 -60.0 -49.1 -26.1 33.6 37.3 285 149 B R H <5S+ 0 0 54 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.896 115.9 45.5 -64.2 -41.1 -22.6 34.4 35.8 286 150 B E H <5S+ 0 0 128 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.936 119.8 40.3 -64.8 -45.3 -23.2 38.1 35.6 287 151 B Q H <5S- 0 0 81 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.456 101.9-126.5 -85.3 -1.7 -24.7 38.3 39.1 288 152 B R T <5 + 0 0 179 -4,-0.8 2,-0.2 -3,-0.4 -3,-0.2 0.891 63.0 150.8 49.2 41.0 -22.3 35.9 40.8 289 153 B N < - 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0 0 16 1,-0.1 -4,-2.4 -5,-0.1 2,-0.4 -0.288 63.3 -99.9 -57.6 150.8 -46.5 31.5 44.3 301 165 B T E + K 0 295E 2 -6,-0.2 -6,-0.3 1,-0.2 -1,-0.1 -0.654 39.0 176.3 -78.3 124.8 -43.3 29.4 44.8 302 166 B S E - 0 0 8 -8,-3.4 -99,-2.0 -2,-0.4 2,-0.3 0.727 58.3 -74.2 -96.1 -29.1 -42.8 26.7 42.2 303 167 B G E -IK 202 294E 0 -9,-1.5 -9,-2.9 -101,-0.3 -1,-0.4 -0.978 49.5 -81.7 165.7-160.3 -39.4 25.5 43.3 304 168 B L E -IK 201 293E 8 -103,-2.3 -103,-3.2 -2,-0.3 2,-0.3 -0.923 27.9-156.4-134.1 160.5 -35.8 26.6 43.3 305 169 B V E - K 0 292E 0 -13,-2.6 -13,-2.4 -2,-0.3 2,-0.3 -0.999 8.1-157.6-142.6 140.2 -33.0 26.3 40.7 306 170 B T E > - K 0 291E 20 -2,-0.3 4,-0.9 -107,-0.3 3,-0.3 -0.836 29.3-123.5-122.0 155.9 -29.2 26.2 41.1 307 171 B F H >> S+ 0 0 9 -17,-2.4 3,-1.4 -2,-0.3 4,-1.4 0.950 112.7 59.7 -55.0 -51.8 -26.1 26.9 38.9 308 172 B E H 34 S+ 0 0 85 -18,-0.3 -1,-0.2 1,-0.3 3,-0.2 0.840 106.0 47.4 -43.1 -43.0 -24.9 23.4 39.7 309 173 B D H 34 S+ 0 0 87 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.642 113.4 44.3 -83.3 -16.1 -28.0 21.9 38.1 310 174 B I H << 0 0 9 -3,-1.4 -1,-0.2 -4,-0.9 -2,-0.2 0.532 360.0 360.0-107.0 -7.5 -28.1 23.9 34.9 311 175 B I < 0 0 29 -4,-1.4 -2,-0.1 -3,-0.2 -3,-0.1 0.924 360.0 360.0 -84.1 360.0 -24.5 23.7 33.9