==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 03-AUG-12 4GF8 . COMPND 2 MOLECULE: PEPTIDE ABC TRANSPORTER, PERIPLASMIC PEPTIDE-BIND . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1; . AUTHOR S.XU,X.LI,L.GU,R.ROSEMAN,A.M.STOCK . 528 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 51 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 1 1 2 3 2 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 3 1 1 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 3 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 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A R 0 0 157 0, 0.0 2,-0.6 0, 0.0 191,-0.1 0.000 360.0 360.0 360.0 109.8 -14.4 -51.0 -17.8 2 2 A S - 0 0 20 189,-0.2 192,-1.9 525,-0.0 191,-1.2 -0.803 360.0-165.0 -92.2 118.4 -12.4 -47.8 -17.4 3 3 A E E -a 194 0A 48 -2,-0.6 2,-0.6 190,-0.2 192,-0.2 -0.895 6.5-155.1-107.6 130.7 -8.7 -48.5 -16.6 4 4 A L E -a 195 0A 0 190,-2.5 192,-2.6 -2,-0.5 2,-0.7 -0.914 12.8-143.2-105.6 116.0 -6.5 -45.7 -15.2 5 5 A T E +a 196 0A 14 -2,-0.6 212,-2.4 190,-0.2 211,-2.1 -0.699 28.4 174.5 -86.0 114.5 -2.8 -46.2 -15.9 6 6 A I E -d 217 0B 0 190,-2.1 212,-0.2 -2,-0.7 3,-0.1 -0.816 27.9-161.9-120.2 157.7 -0.6 -45.1 -13.0 7 7 A V E +d 218 0B 3 210,-1.8 212,-0.6 -2,-0.3 504,-0.1 -0.601 23.5 157.2-136.0 72.5 3.1 -45.2 -12.1 8 8 A P S S+ 0 0 5 0, 0.0 505,-0.3 0, 0.0 2,-0.3 0.803 75.0 1.7 -68.6 -22.4 3.5 -44.6 -8.4 9 9 A D - 0 0 58 -3,-0.1 191,-0.3 503,-0.1 2,-0.3 -0.997 69.6-113.0-160.7 159.4 6.9 -46.3 -8.6 10 10 A F + 0 0 49 -2,-0.3 191,-0.2 191,-0.1 189,-0.1 -0.689 32.7 174.7 -94.1 148.5 9.5 -48.0 -10.8 11 11 A Y - 0 0 25 189,-1.0 3,-0.1 -2,-0.3 191,-0.1 -0.984 37.6-137.2-149.6 152.4 10.3 -51.7 -10.6 12 12 A P S S- 0 0 110 0, 0.0 2,-0.3 0, 0.0 189,-0.2 0.787 95.2 -10.4 -79.7 -26.4 12.5 -54.1 -12.5 13 13 A T S S- 0 0 61 187,-0.1 2,-0.7 -3,-0.1 161,-0.2 -0.972 81.9 -94.1-163.8 158.3 9.6 -56.7 -12.3 14 14 A M - 0 0 11 159,-1.7 2,-0.5 -2,-0.3 161,-0.1 -0.721 34.5-173.8 -88.8 118.0 6.3 -57.0 -10.5 15 15 A V - 0 0 101 -2,-0.7 2,-1.4 2,-0.1 -2,-0.0 -0.949 30.7-120.5-110.7 123.1 6.5 -59.0 -7.2 16 16 A R + 0 0 79 -2,-0.5 2,-0.4 9,-0.1 141,-0.1 -0.439 58.9 134.9 -68.5 88.4 3.2 -59.7 -5.6 17 17 A N + 0 0 22 -2,-1.4 9,-2.5 139,-0.1 139,-0.2 -0.909 19.3 165.3-141.8 110.9 3.4 -58.1 -2.1 18 18 A F + 0 0 0 137,-2.1 138,-0.1 -2,-0.4 137,-0.1 -0.201 29.2 137.5-114.4 37.5 0.6 -56.0 -0.7 19 19 A N > - 0 0 0 136,-0.2 3,-1.5 1,-0.2 11,-0.1 -0.787 41.8-157.7 -85.8 112.4 1.8 -56.0 2.9 20 20 A P T 3 S+ 0 0 6 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 0.654 87.8 57.5 -64.4 -14.8 1.3 -52.3 4.1 21 21 A Y T 3 S+ 0 0 4 130,-0.1 2,-0.4 3,-0.1 3,-0.1 0.339 85.2 92.0-100.3 6.7 3.9 -52.8 6.8 22 22 A L < - 0 0 31 -3,-1.5 77,-0.1 1,-0.1 131,-0.0 -0.850 68.4-141.8-104.2 138.1 6.9 -53.9 4.7 23 23 A A S S+ 0 0 68 -2,-0.4 2,-0.8 1,-0.2 -1,-0.1 0.913 97.2 53.7 -60.1 -44.1 9.4 -51.3 3.4 24 24 A T S S+ 0 0 119 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.843 84.5 106.0 -97.9 107.5 9.6 -53.3 0.2 25 25 A N S S- 0 0 20 -2,-0.8 2,-0.4 -7,-0.1 -7,-0.2 -0.872 74.8 -57.2-158.9-172.0 6.2 -53.8 -1.3 26 26 A L > - 0 0 3 -9,-2.5 3,-1.1 -2,-0.3 4,-0.3 -0.713 42.8-135.3 -84.6 130.0 3.8 -52.7 -4.1 27 27 A R T 3 S+ 0 0 65 -2,-0.4 -1,-0.1 1,-0.3 -9,-0.1 0.151 96.3 67.1 -72.9 20.3 3.1 -48.9 -4.0 28 28 A T T 3 S+ 0 0 0 -2,-0.1 -1,-0.3 485,-0.1 137,-0.1 0.063 78.6 85.5-123.9 22.7 -0.6 -49.2 -4.6 29 29 A T S <>>S+ 0 0 0 -3,-1.1 4,-1.9 3,-0.2 5,-1.8 0.920 75.2 64.8 -88.6 -54.0 -1.3 -50.9 -1.2 30 30 A T B 45S+g 34 0C 35 -4,-0.3 2,-2.1 3,-0.2 5,-0.1 -0.486 117.9 3.5 -73.0 145.9 -1.7 -47.9 1.1 31 31 A D T 45S+ 0 0 14 3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 -0.349 131.6 55.6 73.8 -53.5 -4.7 -45.7 0.4 32 32 A F T 45S+ 0 0 0 -2,-2.1 133,-2.3 131,-0.2 -1,-0.2 0.869 123.9 19.6 -77.1 -35.7 -6.0 -47.9 -2.5 33 33 A I T <5S+ 0 0 0 -4,-1.9 130,-3.7 1,-0.3 129,-1.0 0.834 134.2 37.7 -97.3 -49.5 -6.3 -51.2 -0.6 34 34 A Y B > -H 47 0D 17 6,-2.9 3,-1.3 -2,-0.5 5,-1.3 -0.713 22.3-175.7 -92.2 89.5 -5.4 -32.3 2.8 42 42 A E G > 5S+ 0 0 8 -2,-1.4 3,-0.5 4,-0.3 4,-0.2 0.799 76.8 59.1 -56.5 -38.1 -2.0 -30.7 3.4 43 43 A M G 3 5S+ 0 0 39 1,-0.3 2,-0.5 2,-0.1 262,-0.3 0.778 104.4 56.5 -65.2 -24.2 -2.1 -28.1 0.6 44 44 A K G X 5S- 0 0 94 -3,-1.3 3,-1.0 3,-0.1 -1,-0.3 -0.485 137.6 -70.7-108.7 63.1 -5.3 -26.8 2.2 45 45 A G T < 5S- 0 0 9 -3,-0.5 -3,-0.2 -2,-0.5 -2,-0.1 0.619 83.2 -77.3 65.3 11.4 -4.2 -25.9 5.7 46 46 A N T 3 - 0 0 34 5,-2.4 3,-1.7 -2,-0.2 5,-0.1 -0.381 29.2-114.4 -71.3 160.2 -9.2 -34.3 25.3 60 60 A D T 3 S+ 0 0 160 1,-0.3 -1,-0.1 2,-0.1 397,-0.1 0.760 122.5 56.1 -68.0 -21.6 -8.6 -30.7 26.5 61 61 A D T 3 S- 0 0 98 3,-0.0 -1,-0.3 395,-0.0 -2,-0.0 0.432 104.7-138.7 -87.1 0.3 -5.6 -32.1 28.2 62 62 A L S < S+ 0 0 15 -3,-1.7 65,-1.2 2,-0.1 63,-0.2 0.615 71.2 116.2 51.3 20.4 -4.4 -33.4 24.8 63 63 A M S S+ 0 0 66 63,-0.2 60,-3.0 1,-0.1 2,-0.3 0.404 79.2 22.0 -92.6 -1.5 -3.2 -36.7 26.4 64 64 A S E - J 0 122E 17 58,-0.2 -5,-2.4 -5,-0.1 2,-0.3 -0.990 60.5-161.0-159.6 160.0 -5.7 -38.7 24.4 65 65 A V E -IJ 58 121E 0 56,-2.0 56,-3.6 -2,-0.3 2,-0.4 -0.994 8.1-153.2-148.6 141.7 -7.9 -38.7 21.3 66 66 A T E -IJ 57 120E 16 -9,-2.0 -9,-2.2 -2,-0.3 2,-0.4 -0.901 4.5-157.1-117.7 146.8 -11.0 -40.6 20.3 67 67 A F E -IJ 56 119E 1 52,-2.7 52,-2.4 -2,-0.4 2,-0.6 -0.956 12.0-140.4-120.5 141.5 -12.2 -41.4 16.7 68 68 A D E -IJ 55 118E 55 -13,-3.2 -14,-3.1 -2,-0.4 -13,-1.0 -0.909 22.9-136.6-101.9 117.7 -15.8 -42.3 15.8 69 69 A I E -I 53 0E 3 48,-2.4 -16,-0.3 -2,-0.6 2,-0.2 -0.551 21.4-113.1 -75.8 134.4 -15.8 -45.1 13.2 70 70 A R > - 0 0 53 -18,-3.0 3,-0.7 -2,-0.3 2,-0.2 -0.485 34.3-127.0 -67.0 132.3 -18.2 -44.6 10.3 71 71 A K T 3 S+ 0 0 146 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.540 84.6 33.9 -83.0 146.7 -21.0 -47.2 10.4 72 72 A G T 3 S+ 0 0 54 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.445 77.6 137.2 94.4 -1.1 -21.8 -49.4 7.5 73 73 A V < - 0 0 3 -3,-0.7 8,-2.5 8,-0.3 2,-0.3 -0.605 34.0-163.6 -80.7 135.3 -18.2 -49.7 6.0 74 74 A K B -L 80 0F 92 109,-0.5 111,-0.3 -2,-0.3 6,-0.2 -0.876 21.3-117.7-123.9 157.2 -17.2 -53.2 4.9 75 75 A W > - 0 0 0 4,-3.2 3,-4.1 -2,-0.3 87,-0.2 -0.590 44.3-103.1 -81.3 150.1 -14.0 -55.0 4.0 76 76 A S T 3 S+ 0 0 19 85,-3.0 -1,-0.1 1,-0.3 86,-0.1 0.662 123.9 61.0 -50.4 -14.2 -13.9 -56.1 0.4 77 77 A D T 3 S- 0 0 71 84,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.624 121.7-104.4 -95.0 0.6 -14.7 -59.5 1.8 78 78 A G S < S+ 0 0 33 -3,-4.1 -2,-0.1 1,-0.4 2,-0.0 0.125 78.2 128.4 108.0 -24.7 -18.0 -58.5 3.2 79 79 A E - 0 0 105 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.4 -0.248 64.5-100.6 -66.1 154.8 -17.0 -58.3 6.9 80 80 A A B -L 74 0F 48 -6,-0.2 2,-0.6 -3,-0.1 -6,-0.2 -0.527 24.7-133.9 -80.6 141.3 -17.7 -55.2 8.9 81 81 A F + 0 0 1 -8,-2.5 -8,-0.3 -2,-0.2 2,-0.2 -0.848 42.9 155.0 -93.8 122.7 -15.0 -52.6 9.6 82 82 A T >> - 0 0 8 -2,-0.6 3,-1.4 -11,-0.1 4,-1.1 -0.757 61.6 -81.0-138.4-176.1 -15.1 -51.6 13.3 83 83 A A H 3> S+ 0 0 0 33,-2.5 4,-2.9 1,-0.3 5,-0.3 0.803 119.1 72.4 -58.6 -29.2 -13.0 -50.3 16.1 84 84 A D H 3> S+ 0 0 62 32,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.856 95.3 51.1 -55.0 -37.0 -11.7 -53.9 16.5 85 85 A D H <> S+ 0 0 6 -3,-1.4 4,-2.8 2,-0.2 55,-0.3 0.942 111.2 46.3 -66.7 -47.5 -9.7 -53.4 13.4 86 86 A V H X S+ 0 0 0 -4,-1.1 4,-2.2 1,-0.2 5,-0.3 0.954 114.1 48.2 -59.2 -51.2 -8.1 -50.1 14.6 87 87 A V H X S+ 0 0 40 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.908 114.0 46.6 -57.2 -44.9 -7.3 -51.6 18.0 88 88 A Y H X S+ 0 0 49 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.938 109.6 52.6 -65.5 -47.1 -5.8 -54.7 16.5 89 89 A S H X S+ 0 0 0 -4,-2.8 4,-1.9 51,-0.3 -2,-0.2 0.929 113.2 43.1 -54.8 -51.1 -3.7 -52.9 13.9 90 90 A F H X S+ 0 0 6 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.789 112.8 53.4 -66.6 -28.5 -2.1 -50.6 16.4 91 91 A G H X S+ 0 0 37 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.896 106.5 53.1 -72.1 -39.1 -1.6 -53.4 18.9 92 92 A L H X S+ 0 0 24 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.923 113.3 42.6 -59.7 -46.6 0.2 -55.4 16.2 93 93 A L H < S+ 0 0 3 -4,-1.9 7,-0.3 2,-0.2 -1,-0.2 0.834 111.9 54.2 -70.8 -32.7 2.6 -52.5 15.5 94 94 A K H < S+ 0 0 91 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.909 114.5 41.5 -66.9 -40.7 3.0 -51.8 19.2 95 95 A A H < S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.708 125.3 34.5 -79.1 -24.3 4.0 -55.5 19.8 96 96 A K S >< S- 0 0 93 -4,-1.6 3,-2.9 -5,-0.2 4,-0.3 -0.596 71.8-176.1-133.0 72.0 6.2 -55.8 16.7 97 97 A P G > S+ 0 0 85 0, 0.0 3,-0.6 0, 0.0 6,-0.2 0.549 75.7 70.3 -45.0 -16.6 7.9 -52.3 16.3 98 98 A E G 3 S+ 0 0 124 1,-0.2 -5,-0.1 5,-0.0 3,-0.0 0.693 93.8 56.7 -79.9 -15.1 9.6 -53.2 13.0 99 99 A L G < S+ 0 0 2 -3,-2.9 2,-1.3 -6,-0.2 -1,-0.2 0.594 88.5 86.4 -84.5 -12.5 6.2 -53.2 11.4 100 100 A D X + 0 0 16 -3,-0.6 3,-0.8 -4,-0.3 -1,-0.2 -0.633 52.9 168.8 -91.2 77.9 5.8 -49.6 12.6 101 101 A Q T 3 S+ 0 0 107 -2,-1.3 -1,-0.2 1,-0.3 -2,-0.0 0.786 76.2 46.7 -59.8 -36.6 7.5 -47.8 9.7 102 102 A R T 3 S- 0 0 144 -3,-0.2 -1,-0.3 31,-0.0 -2,-0.1 0.597 107.2-122.6 -85.2 -14.1 6.3 -44.3 10.8 103 103 A G X + 0 0 19 -3,-0.8 3,-0.8 -6,-0.2 4,-0.2 0.928 54.0 155.1 71.7 45.6 7.3 -44.8 14.5 104 104 A I G >> + 0 0 3 1,-0.2 4,-2.2 2,-0.2 3,-2.2 0.774 60.3 76.0 -74.6 -26.5 3.8 -44.2 15.8 105 105 A N G 34 S+ 0 0 29 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.715 82.9 70.1 -55.7 -22.8 4.5 -46.2 19.0 106 106 A K G <4 S+ 0 0 125 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.812 112.6 26.1 -64.6 -32.4 6.5 -43.2 20.1 107 107 A W T <4 S+ 0 0 49 -3,-2.2 17,-1.8 -4,-0.2 2,-0.7 0.794 111.5 67.8-102.0 -39.0 3.3 -41.3 20.5 108 108 A V E < -K 123 0E 5 -4,-2.2 15,-0.2 15,-0.2 -1,-0.1 -0.794 48.1-179.0 -97.1 114.0 0.6 -43.9 21.2 109 109 A T E S- 0 0 73 13,-2.4 2,-0.3 -2,-0.7 14,-0.2 0.831 72.3 -23.4 -75.4 -35.3 0.8 -45.8 24.5 110 110 A S E -K 122 0E 47 12,-1.1 12,-3.2 2,-0.0 2,-0.5 -0.960 53.2-133.2-171.5 158.9 -2.2 -47.9 23.8 111 111 A V E -K 121 0E 23 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.992 27.0-168.0-124.2 126.4 -5.4 -48.0 21.8 112 112 A E E -K 120 0E 66 8,-2.8 8,-2.8 -2,-0.5 2,-0.7 -0.891 23.6-119.7-121.6 150.0 -8.6 -49.0 23.6 113 113 A K E +K 119 0E 99 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.763 23.3 179.0 -87.0 114.1 -12.1 -49.9 22.4 114 114 A V E S- 0 0 57 4,-2.1 2,-0.3 -2,-0.7 5,-0.2 0.827 73.0 -41.6 -81.0 -34.4 -14.7 -47.5 23.7 115 115 A D E > S-K 118 0E 80 3,-1.6 3,-2.1 -3,-0.1 -1,-0.4 -0.944 80.8 -62.8-177.2 174.7 -17.3 -49.4 21.8 116 116 A E T 3 S+ 0 0 99 -2,-0.3 -33,-2.5 1,-0.3 -32,-0.3 0.712 133.1 26.2 -46.4 -28.4 -17.9 -51.1 18.4 117 117 A Y T 3 S+ 0 0 53 -35,-0.2 -48,-2.4 -34,-0.1 2,-0.3 0.012 112.3 69.4-129.1 31.2 -17.5 -47.8 16.5 118 118 A K E < -JK 68 115E 76 -3,-2.1 -4,-2.1 -50,-0.3 -3,-1.6 -0.954 54.2-173.9-151.4 128.1 -15.4 -45.6 18.8 119 119 A V E -JK 67 113E 0 -52,-2.4 -52,-2.7 -2,-0.3 2,-0.5 -0.934 10.2-152.1-126.1 146.2 -11.7 -45.9 19.6 120 120 A R E -JK 66 112E 72 -8,-2.8 -8,-2.8 -2,-0.3 2,-0.5 -0.967 4.2-156.0-121.7 126.5 -9.5 -44.0 22.0 121 121 A F E -JK 65 111E 0 -56,-3.6 -56,-2.0 -2,-0.5 2,-0.5 -0.862 11.7-148.6 -98.3 129.1 -5.7 -43.5 21.6 122 122 A R E -JK 64 110E 108 -12,-3.2 -13,-2.4 -2,-0.5 -12,-1.1 -0.845 17.9-149.7 -97.6 133.7 -3.8 -42.9 24.8 123 123 A L E - K 0 108E 13 -60,-3.0 -15,-0.2 -2,-0.5 3,-0.1 -0.714 21.5-146.0-107.5 156.4 -0.7 -40.7 24.4 124 124 A S S S+ 0 0 59 -17,-1.8 2,-0.3 -2,-0.3 -16,-0.1 0.209 87.4 22.8 -99.1 13.5 2.6 -40.4 26.1 125 125 A E S S- 0 0 98 -18,-0.3 2,-0.6 -63,-0.2 -1,-0.2 -0.877 88.3 -96.3-177.2 140.6 2.8 -36.6 25.7 126 126 A A + 0 0 24 -2,-0.3 2,-0.2 -3,-0.1 -63,-0.2 -0.519 61.7 144.8 -66.5 110.8 0.6 -33.6 25.1 127 127 A N > - 0 0 14 -65,-1.2 3,-1.7 -2,-0.6 328,-0.2 -0.778 40.0-162.6-157.4 106.4 0.7 -33.1 21.3 128 128 A S T 3 S+ 0 0 17 326,-2.9 4,-0.2 1,-0.3 327,-0.1 0.422 87.9 71.1 -69.7 2.8 -2.2 -31.9 19.1 129 129 A N T 3> S+ 0 0 21 325,-0.2 4,-1.8 1,-0.2 3,-0.4 0.485 71.7 90.4 -96.5 -3.5 -0.4 -33.3 16.0 130 130 A V H <> S+ 0 0 0 -3,-1.7 4,-3.2 1,-0.2 5,-0.2 0.864 78.3 58.7 -62.6 -38.7 -1.0 -36.9 16.9 131 131 A P H > S+ 0 0 4 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.914 107.1 49.9 -59.5 -35.4 -4.3 -37.3 15.1 132 132 A Y H > S+ 0 0 27 -3,-0.4 4,-0.7 -4,-0.2 -2,-0.2 0.944 112.0 46.6 -64.5 -46.8 -2.4 -36.3 11.9 133 133 A E H >< S+ 0 0 45 -4,-1.8 3,-1.1 1,-0.2 4,-0.4 0.904 109.8 54.6 -61.2 -41.8 0.3 -38.9 12.6 134 134 A I H >< S+ 0 0 2 -4,-3.2 3,-1.6 1,-0.2 -1,-0.2 0.863 98.7 63.5 -59.6 -36.8 -2.3 -41.5 13.4 135 135 A S H 3< S+ 0 0 7 -4,-1.7 -1,-0.2 1,-0.3 -97,-0.2 0.774 97.3 57.0 -60.6 -27.6 -3.9 -40.9 10.0 136 136 A L T << S+ 0 0 31 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.553 83.9 96.5 -82.0 -9.8 -0.8 -42.1 8.2 137 137 A I S < S- 0 0 7 -3,-1.6 -47,-0.1 -4,-0.4 -48,-0.0 -0.722 76.7-127.5 -86.5 116.9 -0.8 -45.6 9.9 138 138 A P - 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0 0 6 -6,-0.3 -209,-0.1 -5,-0.2 3,-0.1 -0.842 50.4-173.5-119.1 155.9 0.1 -43.2 -19.3 216 216 A D S S+ 0 0 2 -211,-2.1 276,-1.6 -2,-0.3 2,-0.5 0.775 73.4 27.4-110.2 -50.4 -2.6 -41.3 -17.3 217 217 A W E S+dE 6 491B 0 -212,-2.4 -210,-1.8 274,-0.2 2,-0.3 -0.944 70.0 150.3-125.8 113.1 -1.1 -40.5 -13.9 218 218 A T E -dE 7 490B 1 272,-2.4 272,-2.8 -2,-0.5 294,-0.1 -0.907 32.7-164.2-137.5 165.6 2.6 -40.1 -13.1 219 219 A S + 0 0 2 -212,-0.6 2,-0.3 -2,-0.3 269,-0.2 -0.417 49.2 127.7-146.0 59.1 5.0 -38.3 -10.8 220 220 A S - 0 0 11 -211,-0.0 2,-0.2 -17,-0.0 269,-0.2 -0.829 66.3 -96.3-120.2 157.9 8.3 -38.7 -12.6 221 221 A F - 0 0 113 -2,-0.3 -14,-0.1 267,-0.1 -2,-0.1 -0.520 40.3-169.1 -69.1 134.5 11.1 -36.5 -13.7 222 222 A V > - 0 0 9 -2,-0.2 3,-0.9 -16,-0.0 2,-0.1 -0.973 16.6-132.3-130.7 115.3 10.6 -35.6 -17.4 223 223 A P T 3 S- 0 0 47 0, 0.0 5,-0.3 0, 0.0 6,-0.2 -0.409 84.7 -5.1 -69.7 141.5 13.5 -33.9 -19.2 224 224 A D T >> S- 0 0 85 1,-0.1 4,-2.4 -2,-0.1 3,-1.2 0.863 81.9-177.1 42.2 48.6 12.7 -30.9 -21.4 225 225 A I H <>>S+ 0 0 16 -3,-0.9 5,-2.9 1,-0.3 4,-1.1 0.748 70.1 56.7 -47.4 -38.8 9.0 -31.5 -20.6 226 226 A D H 34>S+ 0 0 96 3,-0.2 5,-1.4 4,-0.2 -1,-0.3 0.872 118.0 32.8 -66.1 -35.2 7.5 -28.7 -22.8 227 227 A R H <45S+ 0 0 182 -3,-1.2 -2,-0.2 3,-0.2 -1,-0.1 0.935 127.7 34.9 -84.1 -53.9 9.2 -30.0 -25.9 228 228 A T H <5S+ 0 0 45 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.942 134.6 14.4 -68.1 -52.7 9.2 -33.8 -25.4 229 229 A Y T >X5S+ 0 0 3 -4,-1.1 3,-0.7 -5,-0.3 4,-0.6 0.924 125.4 44.6 -93.3 -56.1 6.0 -34.3 -23.5 230 230 A A G >4 - 0 0 0 152,-2.1 3,-1.2 -2,-0.4 189,-0.1 -0.745 21.3-171.3 -89.9 103.4 26.2 -17.5 10.0 252 252 A F T 3 S+ 0 0 15 187,-2.4 -1,-0.2 -2,-0.9 188,-0.1 0.682 86.1 49.4 -64.4 -22.4 25.2 -14.9 12.6 253 253 A K T 3 S+ 0 0 105 186,-0.3 -1,-0.3 -3,-0.1 7,-0.1 -0.219 75.5 165.8-113.8 44.2 28.2 -15.9 14.7 254 254 A N < - 0 0 4 -3,-1.2 6,-0.3 1,-0.2 147,-0.1 -0.433 36.4-139.2 -61.6 123.8 30.9 -15.7 12.1 255 255 A P S S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.582 83.2 86.9 -61.9 -12.9 34.3 -15.8 13.9 256 256 A D S > S- 0 0 65 1,-0.2 4,-2.7 2,-0.0 5,-0.3 -0.824 74.1-148.0 -92.5 114.9 35.7 -13.2 11.5 257 257 A P H > S+ 0 0 84 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.871 96.1 49.4 -48.2 -44.2 34.8 -9.7 12.9 258 258 A A H > S+ 0 0 7 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.924 113.1 44.6 -64.7 -46.5 34.5 -8.2 9.4 259 259 A K H > S+ 0 0 31 1,-0.2 4,-3.1 2,-0.2 3,-0.3 0.887 112.1 53.2 -65.1 -39.1 32.2 -10.9 8.0 260 260 A K H X S+ 0 0 79 -4,-2.7 4,-3.4 -6,-0.3 -1,-0.2 0.901 100.8 60.9 -60.7 -42.5 30.1 -10.9 11.2 261 261 A E H < S+ 0 0 51 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.876 114.5 36.5 -53.2 -38.1 29.6 -7.1 10.8 262 262 A A H >< S+ 0 0 0 -4,-1.1 3,-1.0 -3,-0.3 6,-0.2 0.950 121.5 41.4 -81.0 -53.6 28.0 -7.9 7.4 263 263 A L H 3< S+ 0 0 0 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.843 111.5 56.1 -64.8 -36.7 26.1 -11.2 8.2 264 264 A D T 3< S+ 0 0 74 -4,-3.4 2,-0.4 -5,-0.3 -1,-0.3 -0.084 90.1 93.8 -88.3 34.7 24.9 -10.0 11.6 265 265 A N X> - 0 0 39 -3,-1.0 4,-2.1 1,-0.1 3,-0.9 -0.940 64.6-153.7-130.7 109.8 23.3 -6.9 10.0 266 266 A V H 3> S+ 0 0 41 -2,-0.4 4,-2.0 1,-0.3 5,-0.1 0.827 96.1 54.1 -51.1 -38.6 19.6 -7.2 9.0 267 267 A D H 3> S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.865 108.0 49.4 -66.8 -35.3 20.0 -4.6 6.3 268 268 A F H <> S+ 0 0 1 -3,-0.9 4,-3.1 -6,-0.2 -2,-0.2 0.899 109.0 52.0 -69.8 -40.0 22.8 -6.4 4.7 269 269 A R H X S+ 0 0 7 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.904 111.1 48.8 -62.2 -38.1 20.9 -9.7 4.7 270 270 A R H X S+ 0 0 34 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.908 111.9 47.6 -67.0 -42.3 18.0 -7.8 3.0 271 271 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.945 110.5 52.5 -62.1 -48.2 20.4 -6.3 0.4 272 272 A F H X S+ 0 0 1 -4,-3.1 4,-0.7 1,-0.2 3,-0.3 0.906 111.9 47.4 -51.6 -45.7 21.9 -9.8 -0.2 273 273 A S H < S+ 0 0 0 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.815 108.0 53.4 -68.5 -34.3 18.3 -11.1 -0.7 274 274 A M H < S+ 0 0 9 -4,-2.0 48,-3.5 1,-0.2 -1,-0.2 0.709 101.8 60.7 -75.6 -19.3 17.3 -8.3 -3.1 275 275 A A H < S+ 0 0 1 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.763 86.7 95.5 -77.5 -26.1 20.3 -9.0 -5.3 276 276 A L < - 0 0 0 -4,-0.7 2,-0.8 -3,-0.3 46,-0.2 -0.396 64.8-149.8 -70.9 142.2 19.1 -12.5 -6.0 277 277 A D > + 0 0 28 1,-0.2 4,-1.7 44,-0.1 3,-0.1 -0.828 19.6 179.5-110.9 85.6 17.1 -13.4 -9.1 278 278 A R H > S+ 0 0 8 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.893 75.3 52.3 -55.8 -50.0 15.0 -16.3 -7.8 279 279 A Q H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 110.5 49.9 -58.0 -39.4 13.0 -17.0 -11.0 280 280 A T H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.879 106.7 55.4 -67.4 -36.4 16.2 -17.2 -13.0 281 281 A I H X>S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 5,-0.8 0.881 111.3 44.8 -62.9 -38.0 17.7 -19.6 -10.4 282 282 A I H X5S+ 0 0 0 -4,-1.9 6,-2.5 3,-0.2 4,-0.8 0.927 116.0 45.3 -71.4 -46.1 14.7 -21.9 -10.9 283 283 A D H <5S+ 0 0 84 -4,-2.5 4,-0.2 4,-0.3 -2,-0.2 0.868 124.7 31.3 -67.0 -38.7 14.7 -21.7 -14.7 284 284 A I H ><5S+ 0 0 99 -4,-2.8 3,-0.5 -5,-0.2 -3,-0.2 0.966 129.2 30.0 -85.9 -59.7 18.5 -22.2 -15.1 285 285 A A H 3<5S+ 0 0 1 -4,-1.2 -3,-0.2 -5,-0.4 -2,-0.1 0.793 133.6 32.2 -72.4 -29.9 19.7 -24.4 -12.2 286 286 A F T >< - 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