==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 07-DEC-12 4IB2 . COMPND 2 MOLECULE: PUTATIVE LIPOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RUMINOCOCCUS GNAVUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 492 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 11.8 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 . 2 0.4 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 . 23 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.6 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 3 2 2 0 0 4 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 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 PARALLEL BRIDGES PER LADDER . 0 6 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 1 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 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 32 A S > 0 0 128 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -0.0 17.7 38.0 45.5 2 33 A S H > + 0 0 108 2,-0.2 4,-0.5 1,-0.2 0, 0.0 0.890 360.0 42.3 -62.2 -40.7 21.6 38.7 45.4 3 34 A E H >> S+ 0 0 128 2,-0.2 3,-0.8 1,-0.2 4,-0.7 0.869 113.9 53.4 -70.3 -37.2 22.0 36.2 48.4 4 35 A D H >4 S+ 0 0 86 1,-0.2 3,-1.0 2,-0.2 -2,-0.2 0.891 100.3 61.6 -61.2 -42.3 19.5 33.9 46.7 5 36 A A H 3< S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.699 109.3 41.4 -58.5 -26.7 21.6 34.0 43.4 6 37 A K H << S+ 0 0 34 -3,-0.8 28,-3.2 -4,-0.5 2,-0.3 0.559 104.0 76.8 -99.0 -12.4 24.6 32.4 45.3 7 38 A T E << -a 34 0A 7 -3,-1.0 2,-0.5 -4,-0.7 28,-0.2 -0.794 57.1-164.7-105.0 141.1 22.7 29.8 47.3 8 39 A I E -a 35 0A 0 26,-2.7 28,-2.9 -2,-0.3 2,-0.6 -0.937 7.3-163.4-124.8 105.8 21.4 26.5 45.9 9 40 A K E -a 36 0A 76 -2,-0.5 48,-1.9 26,-0.2 47,-1.2 -0.826 13.2-174.8 -93.8 116.1 18.8 24.8 48.3 10 41 A V E -ab 37 57A 0 26,-2.9 28,-2.5 -2,-0.6 2,-0.4 -0.965 19.3-152.3-122.5 127.0 18.3 21.1 47.3 11 42 A A E +ab 38 58A 0 46,-2.0 48,-2.5 -2,-0.4 2,-0.3 -0.799 35.7 165.7 -88.8 128.2 15.8 18.6 48.8 12 43 A A E -ab 39 59A 0 26,-2.7 28,-2.7 -2,-0.4 48,-0.2 -0.981 41.0 -99.7-148.2 161.3 17.2 15.1 48.5 13 44 A S > - 0 0 2 46,-1.2 5,-2.0 -2,-0.3 28,-0.1 -0.366 42.0-115.8 -70.7 157.9 17.1 11.4 49.4 14 45 A A T 5S+ 0 0 26 26,-0.5 5,-0.5 1,-0.2 -1,-0.1 0.877 88.4 54.6 -65.2 -46.9 19.6 10.3 52.1 15 46 A T T 5S- 0 0 14 3,-0.2 165,-0.3 161,-0.1 -1,-0.2 -0.982 121.8 -10.0-146.4 130.7 21.7 7.9 49.9 16 47 A P T >5S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 3,-0.4 -0.995 130.5 56.7 -83.2 -17.8 23.1 8.2 47.3 17 48 A H H >5S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -3,-0.2 0.865 111.4 38.8 -48.0 -54.2 21.6 11.7 46.6 18 49 A A H > S+ 0 0 77 -5,-0.5 4,-1.5 -3,-0.4 -2,-0.2 0.908 111.4 47.3 -69.1 -41.6 26.1 11.9 49.7 20 51 A I H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 3,-0.4 0.947 112.4 49.7 -64.0 -45.9 26.6 12.8 46.0 21 52 A L H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.878 105.2 57.8 -61.0 -37.5 25.5 16.4 46.8 22 53 A E H < S+ 0 0 103 -4,-2.1 4,-0.5 1,-0.2 3,-0.4 0.882 107.8 47.2 -59.8 -40.6 28.0 16.6 49.7 23 54 A Q H >X S+ 0 0 86 -4,-1.5 3,-0.6 -3,-0.4 4,-0.5 0.856 110.9 51.9 -68.0 -36.6 30.9 15.7 47.3 24 55 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.669 88.9 82.5 -73.6 -19.2 29.6 18.3 44.8 25 56 A K H 3X S+ 0 0 78 -4,-1.2 4,-2.3 -3,-0.4 10,-0.3 0.880 91.9 47.8 -54.0 -41.6 29.5 21.1 47.6 26 57 A S H <> S+ 0 0 60 -3,-0.6 4,-1.9 -4,-0.5 -1,-0.2 0.854 110.3 52.4 -69.9 -36.8 33.3 21.7 47.1 27 58 A I H X S+ 0 0 13 -4,-0.5 4,-0.8 2,-0.2 -2,-0.2 0.948 114.2 42.0 -59.4 -51.9 32.9 21.9 43.3 28 59 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.6 0.854 109.5 58.2 -68.0 -34.6 30.1 24.5 43.6 29 60 A K H ><5S+ 0 0 166 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.930 102.9 53.4 -59.3 -46.0 31.9 26.5 46.4 30 61 A K H 3<5S+ 0 0 173 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.748 108.7 51.7 -60.4 -24.5 35.0 27.0 44.0 31 62 A E T <<5S- 0 0 107 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.363 127.0-100.3 -94.2 1.7 32.4 28.5 41.5 32 63 A G T < 5S+ 0 0 54 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.595 82.4 125.8 89.4 14.5 30.9 30.9 44.1 33 64 A Y < - 0 0 35 -5,-2.7 2,-0.7 -8,-0.1 -1,-0.3 -0.875 51.9-145.7-107.9 145.6 27.8 28.8 45.0 34 65 A Q E -a 7 0A 107 -28,-3.2 -26,-2.7 -2,-0.4 2,-0.5 -0.894 16.9-156.5-109.3 100.5 26.7 27.7 48.5 35 66 A L E -a 8 0A 6 -2,-0.7 2,-0.5 -10,-0.3 -26,-0.2 -0.690 9.5-171.3 -80.1 125.3 25.0 24.3 48.1 36 67 A E E -a 9 0A 67 -28,-2.9 -26,-2.9 -2,-0.5 2,-0.5 -0.979 5.1-162.0-123.7 115.9 22.6 23.6 51.0 37 68 A V E -a 10 0A 42 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.887 10.0-170.6-106.7 132.2 21.1 20.1 51.3 38 69 A T E -a 11 0A 63 -28,-2.5 -26,-2.7 -2,-0.5 2,-0.5 -0.977 20.8-138.7-117.3 128.0 18.0 19.0 53.2 39 70 A V E -a 12 0A 72 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.782 17.5-167.8 -91.2 130.1 17.5 15.2 53.5 40 71 A F - 0 0 36 -28,-2.7 -26,-0.5 -2,-0.5 -2,-0.0 -0.886 18.1-152.9-113.9 147.9 13.9 13.8 53.1 41 72 A D S S+ 0 0 107 -2,-0.3 2,-0.2 -28,-0.1 -28,-0.1 0.405 75.0 54.1 -94.5 -6.4 12.8 10.2 54.0 42 73 A D S S- 0 0 27 116,-0.1 -2,-0.1 117,-0.0 115,-0.0 -0.665 75.6-123.8-126.9-179.2 9.9 10.1 51.5 43 74 A Y S S+ 0 0 11 -2,-0.2 4,-0.2 2,-0.1 17,-0.0 0.333 100.2 54.7-106.4 1.0 9.0 10.6 47.8 44 75 A V S >> S+ 0 0 41 2,-0.1 4,-1.7 3,-0.1 3,-0.7 0.859 97.7 52.7-102.9 -54.0 6.3 13.3 48.2 45 76 A Q H 3> S+ 0 0 80 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.863 98.3 65.2 -59.2 -36.3 7.7 16.2 50.3 46 77 A P H 3> S+ 0 0 0 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.875 109.7 39.7 -57.0 -36.2 10.8 16.8 48.0 47 78 A N H X> S+ 0 0 0 -3,-0.7 4,-2.8 -4,-0.2 3,-0.6 0.880 114.7 52.8 -75.3 -39.6 8.5 17.8 45.1 48 79 A E H 3X S+ 0 0 77 -4,-1.7 4,-1.9 1,-0.2 6,-0.2 0.890 107.9 51.0 -62.9 -38.7 6.1 19.8 47.4 49 80 A V H 3<>S+ 0 0 12 -4,-2.8 6,-2.2 2,-0.2 5,-0.7 0.643 114.0 44.2 -75.6 -14.6 8.9 21.9 48.9 50 81 A V H X<5S+ 0 0 0 -3,-0.6 3,-1.6 -4,-0.5 -2,-0.2 0.863 111.4 52.7 -90.8 -41.6 10.2 22.8 45.3 51 82 A E H 3<5S+ 0 0 47 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.867 108.4 51.7 -59.5 -37.3 6.7 23.5 44.0 52 83 A S T 3<5S- 0 0 84 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 0.565 115.0-118.6 -72.2 -16.0 6.2 25.9 47.0 53 84 A G T < 5S+ 0 0 49 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.442 83.4 118.9 87.8 5.1 9.5 27.7 46.2 54 85 A E S - C 0 205A 0 143,-0.3 4,-2.2 -2,-0.2 143,-0.2 -0.539 38.8-100.4 -98.8 168.8 13.3 9.6 38.0 63 94 A V H > S+ 0 0 33 141,-1.0 4,-2.4 139,-0.4 5,-0.2 0.903 120.6 50.5 -59.3 -50.3 11.6 11.1 34.9 64 95 A P H > S+ 0 0 13 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.913 111.1 51.2 -57.6 -39.8 8.5 8.8 34.9 65 96 A Y H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.915 110.3 48.0 -60.6 -48.2 8.0 9.6 38.6 66 97 A L H X S+ 0 0 8 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.929 111.9 49.3 -57.4 -48.5 8.1 13.4 37.9 67 98 A E H X S+ 0 0 113 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.901 114.9 44.3 -58.8 -44.3 5.7 13.2 35.0 68 99 A S H X S+ 0 0 14 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.855 112.7 51.8 -68.6 -36.6 3.2 11.1 37.1 69 100 A F H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 6,-0.7 0.925 108.1 51.5 -67.9 -43.1 3.7 13.5 40.1 70 101 A N H X S+ 0 0 40 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.905 118.8 38.6 -57.8 -41.5 2.9 16.6 37.8 71 102 A E H < S+ 0 0 155 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.901 123.3 38.4 -74.2 -47.9 -0.3 14.8 36.6 72 103 A E H < S+ 0 0 102 -4,-3.0 -3,-0.2 1,-0.1 -2,-0.2 0.696 129.3 29.2 -79.6 -23.5 -1.4 13.2 39.9 73 104 A K H < S- 0 0 111 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.442 101.3-118.5-119.0 -1.5 -0.5 16.1 42.3 74 105 A G < + 0 0 46 -4,-0.9 -4,-0.2 -5,-0.4 -3,-0.1 0.652 60.8 146.5 72.1 20.1 -0.8 19.2 40.1 75 106 A T - 0 0 10 -6,-0.7 -1,-0.2 -9,-0.1 -2,-0.1 -0.339 43.1-147.8 -79.7 166.6 2.8 20.3 40.3 76 107 A H + 0 0 97 -2,-0.1 135,-1.9 2,-0.0 2,-0.2 -0.452 40.4 152.5-130.3 51.6 4.6 22.0 37.4 77 108 A L E -D 210 0A 5 133,-0.2 2,-0.3 -11,-0.2 133,-0.2 -0.592 27.7-152.3 -95.2 155.9 8.1 20.7 37.8 78 109 A V E -D 209 0A 42 131,-3.1 131,-2.2 -2,-0.2 2,-0.7 -0.940 22.0-114.1-129.0 146.3 10.7 20.3 35.1 79 110 A D E +D 208 0A 52 -2,-0.3 129,-0.2 129,-0.2 3,-0.1 -0.699 31.5 176.9 -80.1 111.7 13.8 18.0 34.6 80 111 A A E + 0 0 21 127,-3.2 2,-0.2 -2,-0.7 128,-0.2 0.486 66.2 0.4 -95.3 -6.2 16.8 20.3 34.6 81 112 A G E -D 207 0A 9 126,-0.8 126,-1.8 142,-0.0 2,-0.6 -0.750 59.5-129.9 175.4 134.4 19.4 17.5 34.3 82 113 A D E +D 206 0A 47 -2,-0.2 124,-0.2 124,-0.2 3,-0.1 -0.828 36.6 162.0 -94.8 118.1 19.8 13.7 34.0 83 114 A I E - 0 0 3 122,-3.3 163,-2.5 -2,-0.6 2,-0.3 0.847 45.0 -16.8-110.8 -50.0 22.3 12.4 36.5 84 115 A H E -DE 205 245A 0 121,-1.1 121,-3.9 161,-0.3 2,-0.3 -0.991 44.8-129.4-158.3 167.5 22.3 8.8 37.4 85 116 A Y E -DE 204 244A 6 159,-3.1 159,-3.0 -2,-0.3 119,-0.1 -0.925 11.3-156.0-128.4 144.1 20.4 5.4 37.3 86 117 A E - 0 0 0 117,-0.6 89,-0.4 407,-0.4 157,-0.2 -0.918 23.5-125.1-119.0 112.3 19.7 2.9 40.2 87 118 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 98,-0.1 -0.237 25.6-135.9 -57.7 125.5 19.1 -0.8 39.3 88 119 A F - 0 0 0 86,-0.1 105,-2.1 106,-0.1 2,-0.3 -0.616 30.0-165.5 -78.8 141.7 15.7 -1.8 40.8 89 120 A G E -FG 173 192B 0 84,-1.6 84,-2.0 -2,-0.2 2,-0.5 -0.945 30.8-130.4-139.6 156.6 15.9 -5.2 42.6 90 121 A I E -FG 172 191B 1 101,-2.9 100,-3.0 -2,-0.3 101,-1.3 -0.930 38.5-172.1 -96.2 123.0 13.9 -8.1 44.0 91 122 A Y E -F 171 0B 1 80,-3.5 80,-2.4 -2,-0.5 98,-0.1 -0.814 28.9 -87.0-116.8 157.7 15.4 -8.8 47.5 92 123 A P E +F 170 0B 25 0, 0.0 78,-0.2 0, 0.0 4,-0.2 -0.311 42.3 169.5 -67.5 143.6 14.7 -11.6 49.9 93 124 A G S S- 0 0 0 76,-2.0 76,-0.3 2,-1.2 77,-0.2 0.109 79.8 -29.0-111.8-121.4 11.8 -11.3 52.4 94 125 A T S S+ 0 0 82 74,-2.5 2,-0.4 -2,-0.1 75,-0.2 0.666 137.1 65.1 -72.3 -15.2 10.9 -14.5 54.4 95 126 A K - 0 0 35 74,-2.0 -2,-1.2 73,-0.2 3,-0.1 -0.906 67.3-162.4-108.7 136.0 12.2 -16.5 51.3 96 127 A K S S+ 0 0 136 -2,-0.4 2,-0.3 -4,-0.2 -1,-0.1 0.508 71.8 41.2 -97.1 -4.3 15.9 -16.3 50.4 97 128 A S > - 0 0 40 1,-0.1 3,-1.6 -6,-0.1 4,-0.1 -0.997 68.2-135.0-142.0 144.0 15.7 -17.5 46.8 98 129 A L G > S+ 0 0 36 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.773 106.5 70.4 -68.0 -20.8 13.4 -17.0 43.9 99 130 A D G 3 S+ 0 0 157 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.639 91.9 60.7 -66.0 -14.5 13.6 -20.9 43.4 100 131 A E G < S+ 0 0 101 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.444 73.8 130.2 -91.9 -4.0 11.5 -21.0 46.7 101 132 A I < + 0 0 21 -3,-1.6 2,-0.3 -4,-0.1 -3,-0.0 -0.218 32.2 168.5 -54.6 133.9 8.5 -19.1 45.2 102 133 A S > - 0 0 53 47,-0.1 3,-1.8 1,-0.0 47,-0.1 -0.932 40.6 -52.4-145.9 168.1 5.2 -21.0 45.9 103 134 A E T 3 S+ 0 0 135 -2,-0.3 47,-0.2 1,-0.2 48,-0.1 -0.100 118.1 9.9 -48.7 130.8 1.4 -20.4 45.7 104 135 A G T 3 S+ 0 0 30 45,-2.2 -1,-0.2 1,-0.2 46,-0.1 0.459 81.9 163.6 80.1 5.2 0.1 -17.3 47.5 105 136 A D < - 0 0 19 -3,-1.8 47,-2.7 44,-0.4 2,-0.4 -0.250 35.0-129.0 -57.5 137.5 3.5 -15.7 48.2 106 137 A K E -h 152 0B 91 45,-0.2 64,-1.4 47,-0.1 63,-1.4 -0.752 19.5-163.9 -87.0 137.3 3.3 -12.0 49.1 107 138 A I E -hi 153 170B 1 45,-3.0 47,-2.9 -2,-0.4 2,-0.4 -0.978 11.3-143.6-124.5 118.1 5.5 -9.6 47.2 108 139 A A E +hi 154 171B 0 62,-2.5 64,-2.6 -2,-0.5 47,-0.2 -0.653 29.0 168.1 -80.5 133.2 6.1 -6.1 48.7 109 140 A V E -h 155 0B 0 45,-2.5 47,-2.3 -2,-0.4 7,-0.1 -0.974 42.3 -87.8-140.1 156.2 6.3 -3.3 46.1 110 141 A P E -h 156 0B 0 0, 0.0 47,-0.2 0, 0.0 9,-0.1 -0.284 33.1-144.5 -60.4 148.0 6.3 0.5 46.1 111 142 A N + 0 0 78 45,-1.5 2,-0.2 44,-0.1 46,-0.1 0.374 64.2 104.1-102.0 1.9 2.7 1.9 45.8 112 143 A D S > S- 0 0 24 44,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.604 83.9-106.9 -82.5 153.6 3.3 5.0 43.6 113 144 A T H > S+ 0 0 43 1,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.844 111.6 34.3 -44.4 -58.4 2.2 4.6 39.9 114 145 A T H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.826 119.8 46.9 -79.3 -32.9 5.6 4.4 38.2 115 146 A N H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.836 113.9 49.1 -78.2 -29.2 7.6 2.5 40.8 116 147 A E H X S+ 0 0 14 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.960 112.9 47.6 -66.9 -47.6 4.7 -0.1 41.2 117 148 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.920 110.2 53.1 -56.2 -44.4 4.6 -0.4 37.4 118 149 A R H X S+ 0 0 1 -4,-2.2 4,-2.1 19,-0.2 -1,-0.2 0.858 108.3 50.0 -58.0 -42.2 8.4 -0.8 37.5 119 150 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.916 111.0 48.9 -63.6 -44.7 8.1 -3.7 40.1 120 151 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.886 111.3 50.0 -63.2 -38.1 5.4 -5.5 38.0 121 152 A L H X S+ 0 0 53 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.892 110.4 50.0 -67.7 -37.7 7.7 -5.2 34.9 122 153 A L H X S+ 0 0 5 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.890 110.7 49.6 -68.9 -38.8 10.7 -6.6 36.9 123 154 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 6,-0.5 0.906 111.8 49.2 -63.3 -41.4 8.5 -9.5 38.1 124 155 A Q H ><5S+ 0 0 66 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.935 107.2 53.9 -62.4 -45.7 7.5 -10.1 34.4 125 156 A D H 3<5S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.729 110.0 49.5 -61.4 -22.5 11.2 -10.0 33.3 126 157 A N T 3<5S- 0 0 55 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.197 118.2-113.1-104.0 17.8 11.8 -12.7 35.9 127 158 A G T < 5S+ 0 0 25 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.662 84.5 117.6 62.4 25.1 8.9 -14.9 34.7 128 159 A I S - 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0 0 16 -4,-1.4 -98,-0.3 -5,-0.7 3,-0.2 -0.413 54.8-153.8 -64.1 141.2 19.4 -8.8 45.2 190 221 A L S S- 0 0 55 -100,-3.0 2,-0.3 1,-0.4 -99,-0.2 0.775 84.2 -1.3 -79.8 -33.1 17.9 -12.0 43.9 191 222 A A E S+G 90 0B 9 -101,-1.3 -101,-2.9 -93,-0.0 -1,-0.4 -0.957 74.3 173.4-154.6 145.4 17.2 -10.3 40.5 192 223 A Y E -G 89 0B 99 -2,-0.3 -103,-0.2 -103,-0.2 2,-0.1 -0.974 39.8 -81.3-154.4 162.7 17.7 -6.8 39.3 193 224 A E - 0 0 14 -105,-2.1 2,-0.2 -2,-0.3 -71,-0.0 -0.446 49.8-121.2 -67.3 138.9 17.5 -4.6 36.2 194 225 A K > - 0 0 123 -2,-0.1 3,-1.6 89,-0.1 6,-0.4 -0.477 14.0-121.1 -79.9 152.7 20.5 -4.8 33.9 195 226 A S T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.640 115.3 48.9 -69.5 -14.7 22.6 -1.8 33.1 196 227 A D T 3 S+ 0 0 68 86,-0.0 87,-3.0 4,-0.0 -1,-0.3 0.199 93.1 111.0-107.6 14.9 21.9 -2.3 29.3 197 228 A S B <> S-k 283 0D 20 -3,-1.6 4,-0.6 85,-0.2 3,-0.3 -0.299 84.6-107.6 -82.2 169.4 18.1 -2.7 29.9 198 229 A E H >> S+ 0 0 41 85,-0.5 3,-0.9 1,-0.2 4,-0.7 0.846 120.7 59.7 -64.1 -34.0 15.3 -0.3 28.9 199 230 A A H >> S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 3,-0.9 0.881 95.1 63.7 -62.5 -35.7 14.9 0.6 32.6 200 231 A A H 34 S+ 0 0 16 -6,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.750 111.6 35.0 -60.1 -27.1 18.6 1.8 32.6 201 232 A K H << S+ 0 0 62 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.420 122.5 48.0-105.5 -1.4 17.7 4.6 30.0 202 233 A T H << S+ 0 0 20 -3,-0.9 2,-1.0 -4,-0.7 -139,-0.4 0.831 103.6 52.1-102.5 -51.4 14.1 5.2 31.4 203 234 A Y S < S+ 0 0 6 -4,-2.7 -117,-0.6 -141,-0.1 2,-0.3 -0.248 72.1 157.2 -91.9 56.4 14.5 5.6 35.3 204 235 A V E - 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0 0 64 -3,-1.7 4,-2.8 1,-0.1 3,-0.3 -0.277 64.3-122.6 -54.9 139.6 19.0 29.4 35.9 217 248 A E H > S+ 0 0 155 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.898 112.1 48.1 -50.5 -48.0 22.8 29.9 36.0 218 249 A K H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.817 111.9 49.4 -66.1 -34.9 23.0 28.2 39.5 219 250 A I H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.914 111.5 48.8 -68.9 -44.8 20.9 25.2 38.4 220 251 A Q H X S+ 0 0 74 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.925 111.8 50.5 -61.1 -38.6 23.0 24.8 35.3 221 252 A A H X S+ 0 0 12 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.916 110.9 48.5 -65.1 -43.1 26.1 24.9 37.6 222 253 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.930 113.6 46.4 -61.2 -48.4 24.6 22.3 39.9 223 254 A V H X S+ 0 0 17 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.941 112.0 50.8 -61.9 -45.4 23.8 20.0 36.9 224 255 A K H < S+ 0 0 146 -4,-2.9 3,-0.4 1,-0.2 4,-0.2 0.909 110.4 50.2 -59.8 -41.5 27.3 20.4 35.4 225 256 A A H >< S+ 0 0 3 -4,-2.4 3,-1.3 1,-0.2 6,-0.5 0.915 110.7 48.7 -61.4 -46.2 28.9 19.6 38.8 226 257 A L H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.712 114.6 45.6 -68.4 -22.2 26.8 16.4 39.1 227 258 A K T 3< S+ 0 0 73 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.293 92.4 114.6-101.3 5.9 27.7 15.3 35.5 228 259 A S S <> S- 0 0 25 -3,-1.3 4,-2.7 -4,-0.2 5,-0.2 -0.295 81.6-111.0 -75.3 163.0 31.4 16.1 36.0 229 260 A D H > S+ 0 0 134 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.842 117.9 57.6 -61.9 -34.7 34.2 13.5 35.9 230 261 A E H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 112.7 38.6 -63.1 -45.1 34.8 14.0 39.7 231 262 A I H > S+ 0 0 3 -6,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.930 115.8 51.6 -73.6 -43.3 31.1 13.2 40.6 232 263 A K H X S+ 0 0 33 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.905 112.9 46.4 -57.2 -43.6 30.9 10.3 38.0 233 264 A E H X S+ 0 0 104 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.885 111.1 52.1 -67.4 -40.1 34.1 8.8 39.4 234 265 A Y H X S+ 0 0 54 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.926 111.4 47.6 -58.8 -46.6 32.8 9.2 43.0 235 266 A I H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 3,-0.3 0.950 114.6 45.7 -59.4 -50.0 29.6 7.4 42.1 236 267 A E H < S+ 0 0 99 -4,-2.3 4,-0.5 1,-0.2 5,-0.3 0.862 116.8 44.0 -61.0 -43.9 31.4 4.5 40.3 237 268 A K H < S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.686 119.7 41.0 -76.8 -22.4 34.0 4.1 43.1 238 269 A T H < S+ 0 0 62 -4,-1.5 -2,-0.2 -3,-0.3 -3,-0.2 0.816 111.5 44.0 -98.2 -38.1 31.5 4.3 46.0 239 270 A Y S >< S- 0 0 14 -4,-2.1 3,-2.4 4,-0.2 -3,-0.1 0.369 84.0-134.5-103.7 7.7 28.3 2.4 45.1 240 271 A D T 3 S- 0 0 106 -4,-0.5 -54,-0.4 1,-0.3 -4,-0.1 0.860 79.2 -45.7 44.9 48.5 29.5 -1.0 43.5 241 272 A G T 3 S+ 0 0 40 2,-0.4 -1,-0.3 -5,-0.3 3,-0.1 0.432 118.1 106.5 79.3 -0.5 27.0 -0.8 40.6 242 273 A A S < S+ 0 0 7 -3,-2.4 2,-0.4 1,-0.2 -2,-0.1 0.671 88.4 35.5 -78.1 -21.0 24.0 0.2 42.8 243 274 A V S S- 0 0 2 -8,-0.2 -2,-0.4 -157,-0.2 -1,-0.2 -0.995 75.4-170.8-135.4 125.3 24.3 3.8 41.4 244 275 A I E -E 85 0A 51 -159,-3.0 -159,-3.1 -2,-0.4 -12,-0.0 -0.984 24.9-120.5-123.3 125.5 25.4 4.3 37.7 245 276 A P E -E 84 0A 10 0, 0.0 2,-0.3 0, 0.0 -161,-0.3 -0.317 34.7-112.8 -64.3 143.9 26.2 7.8 36.2 246 277 A F 0 0 52 -163,-2.5 -45,-0.1 -41,-0.1 -14,-0.0 -0.642 360.0 360.0 -80.3 138.2 24.0 8.8 33.3 247 278 A E 0 0 158 -2,-0.3 -164,-0.1 0, 0.0 -163,-0.0 -0.757 360.0 360.0-146.6 360.0 25.7 9.0 29.9 248 !* 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 0.0 249 36 B A 0 0 116 0, 0.0 213,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.9 22.9 11.9 13.0 250 37 B K + 0 0 57 27,-0.1 28,-3.3 212,-0.0 2,-0.4 0.543 360.0 77.6 -98.7 -13.6 25.9 10.4 14.9 251 38 B T E -l 278 0D 41 26,-0.2 2,-0.5 28,-0.1 28,-0.2 -0.808 57.0-164.9-103.8 140.4 24.1 8.1 17.3 252 39 B I E -l 279 0D 0 26,-2.5 28,-2.8 -2,-0.4 2,-0.6 -0.944 7.5-163.5-123.0 105.6 22.6 4.7 16.4 253 40 B K E -l 280 0D 68 -2,-0.5 48,-1.9 26,-0.2 47,-1.3 -0.831 12.8-175.1 -93.7 116.4 20.1 3.5 19.0 254 41 B V E -lm 281 301D 0 26,-2.6 28,-2.4 -2,-0.6 2,-0.4 -0.970 19.0-152.2-123.0 127.1 19.5 -0.3 18.6 255 42 B A E +lm 282 302D 0 46,-1.9 48,-2.4 -2,-0.4 2,-0.3 -0.796 35.5 165.5 -89.0 126.7 17.0 -2.5 20.5 256 43 B A E -lm 283 303D 0 26,-2.6 28,-2.7 -2,-0.4 48,-0.2 -0.975 41.4-100.1-146.5 162.5 18.3 -6.1 20.5 257 44 B S > - 0 0 1 46,-1.3 5,-2.0 -2,-0.3 28,-0.1 -0.391 42.0-116.2 -72.9 159.0 18.1 -9.7 22.0 258 45 B A T 5S+ 0 0 26 26,-0.5 5,-0.5 1,-0.2 -1,-0.1 0.887 87.8 55.6 -65.2 -47.1 20.7 -10.5 24.6 259 46 B T T 5S- 0 0 15 3,-0.2 165,-0.3 161,-0.2 -1,-0.2 -0.986 121.2 -10.2-146.8 130.6 22.6 -13.3 22.8 260 47 B P T >5S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 3,-0.4 -0.994 130.6 56.5 -82.9 -14.7 23.9 -13.4 20.1 261 48 B H H >5S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 -3,-0.2 0.855 110.3 40.2 -52.7 -53.0 22.5 -10.0 18.9 262 49 B A H > S+ 0 0 75 -5,-0.5 4,-1.5 -3,-0.4 -2,-0.2 0.913 110.6 47.4 -69.8 -43.4 27.1 -9.5 21.7 264 51 B I H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.921 113.0 50.0 -62.8 -42.5 27.5 -9.1 17.9 265 52 B L H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.876 104.8 57.6 -64.6 -37.9 26.5 -5.4 18.2 266 53 B E H < S+ 0 0 101 -4,-2.0 4,-0.5 1,-0.2 3,-0.4 0.880 107.6 47.6 -59.0 -40.6 29.1 -4.9 21.0 267 54 B Q H >< S+ 0 0 85 -4,-1.5 3,-0.6 1,-0.2 4,-0.5 0.851 110.3 52.3 -68.3 -35.4 31.9 -6.1 18.6 268 55 B A H 3X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 3,-0.3 0.676 88.5 82.8 -74.1 -19.4 30.5 -3.8 15.8 269 56 B K H 3X S+ 0 0 81 -4,-1.2 4,-2.4 -3,-0.4 10,-0.3 0.871 90.1 50.3 -53.6 -41.8 30.7 -0.7 18.2 270 57 B S H <> S+ 0 0 57 -3,-0.6 4,-1.9 -4,-0.5 -1,-0.2 0.847 109.5 50.5 -68.0 -36.2 34.5 -0.3 17.5 271 58 B I H > S+ 0 0 18 -4,-0.5 4,-0.8 -3,-0.3 -2,-0.2 0.931 114.2 44.3 -64.6 -47.9 33.9 -0.3 13.7 272 59 B L H ><>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 3,-0.6 0.870 109.5 56.5 -66.1 -37.9 31.1 2.3 13.9 273 60 B K H ><5S+ 0 0 165 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.925 104.3 52.3 -58.6 -47.2 33.2 4.5 16.4 274 61 B K H 3<5S+ 0 0 183 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.746 109.3 51.8 -60.2 -25.2 36.1 4.7 13.8 275 62 B E T <<5S- 0 0 106 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.359 127.0-100.1 -93.0 1.2 33.5 5.9 11.3 276 63 B G T < 5S+ 0 0 52 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.605 81.9 126.8 88.9 15.9 32.1 8.6 13.6 277 64 B Y < - 0 0 36 -5,-2.8 2,-0.7 -8,-0.1 -1,-0.3 -0.861 51.3-146.2-108.2 144.5 29.1 6.8 14.9 278 65 B Q E - l 0 251D 121 -28,-3.3 -26,-2.5 -2,-0.4 2,-0.5 -0.898 16.5-156.8-108.2 100.0 28.0 6.1 18.5 279 66 B L E - l 0 252D 8 -2,-0.7 2,-0.5 -10,-0.3 -26,-0.2 -0.700 9.7-171.9 -79.3 120.9 26.3 2.7 18.7 280 67 B E E - l 0 253D 61 -28,-2.8 -26,-2.6 -2,-0.5 2,-0.4 -0.975 6.0-161.8-119.6 114.5 24.0 2.5 21.8 281 68 B V E - l 0 254D 28 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.848 9.9-170.1-104.3 131.8 22.5 -0.9 22.5 282 69 B T E - l 0 255D 12 -28,-2.4 -26,-2.6 -2,-0.4 2,-0.5 -0.974 19.8-139.1-117.1 127.4 19.5 -1.7 24.7 283 70 B V E -kl 197 256D 8 -87,-3.0 -85,-0.5 -2,-0.4 2,-0.3 -0.774 17.6-170.2 -91.3 129.5 18.8 -5.4 25.5 284 71 B F - 0 0 12 -28,-2.7 -26,-0.5 -2,-0.5 -87,-0.0 -0.890 16.9-155.3-113.7 147.4 15.2 -6.6 25.4 285 72 B D S S+ 0 0 37 -2,-0.3 2,-0.2 -28,-0.1 -28,-0.1 0.321 73.3 59.0-107.7 12.2 14.1 -10.1 26.7 286 73 B D S S- 0 0 29 116,-0.1 -2,-0.1 117,-0.0 -161,-0.0 -0.728 75.9-126.0-129.8 177.4 10.9 -10.4 24.6 287 74 B Y S S+ 0 0 10 -2,-0.2 4,-0.2 2,-0.1 17,-0.0 0.358 99.5 55.3-103.7 -1.0 9.9 -10.4 20.9 288 75 B V S >> S+ 0 0 39 2,-0.1 4,-1.6 3,-0.1 3,-0.7 0.878 97.3 53.9 -99.7 -51.1 7.2 -7.6 21.1 289 76 B Q H 3> S+ 0 0 66 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.861 97.0 65.5 -58.0 -41.7 8.9 -4.5 22.6 290 77 B P H 34 S+ 0 0 0 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.870 109.0 39.7 -55.1 -37.3 11.9 -4.3 20.1 291 78 B N H X> S+ 0 0 0 -3,-0.7 4,-2.6 -4,-0.2 3,-0.7 0.876 114.1 53.7 -75.6 -38.0 9.5 -3.5 17.2 292 79 B E H 3X S+ 0 0 39 -4,-1.6 4,-1.9 1,-0.2 6,-0.2 0.896 107.5 50.8 -62.3 -38.5 7.2 -1.2 19.3 293 80 B V H 3<>S+ 0 0 7 -4,-2.7 6,-2.2 2,-0.2 5,-0.7 0.637 112.7 46.1 -76.8 -13.8 10.2 1.0 20.4 294 81 B V H X45S+ 0 0 0 -3,-0.7 3,-1.3 -4,-0.5 -2,-0.2 0.866 110.3 53.7 -90.7 -40.1 11.3 1.4 16.7 295 82 B E H 3<5S+ 0 0 70 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.1 0.859 107.8 50.8 -57.7 -40.0 7.7 2.2 15.5 296 83 B S T 3<5S- 0 0 84 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.659 114.6-119.1 -72.1 -18.6 7.6 5.0 18.2 297 84 B G T < 5S+ 0 0 49 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.468 82.5 120.2 88.3 5.8 10.9 6.4 16.9 298 85 B E S - 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