==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 23-FEB-99 1NGL . COMPND 2 MOLECULE: PROTEIN (NGAL); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.COLES,T.DIERCKS,B.MUEHLENWEG,S.BARTSCH,V.ZOELZER, . 179 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 34.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 9.5 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+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 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 3 0 0 1 1 1 2 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 0 0 0 0 0 0 1 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 M 0 0 215 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-139.7 167.0 -18.1 -22.0 2 2 A Q + 0 0 192 1,-0.2 2,-0.3 0, 0.0 3,-0.0 0.907 360.0 83.8 57.2 40.0 167.3 -16.8 -25.6 3 3 A D S S- 0 0 130 1,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.932 96.9 -38.8-155.8 178.6 164.1 -18.8 -26.4 4 4 A S S S+ 0 0 119 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.0 -0.181 73.0 170.9 -47.3 128.1 160.3 -18.5 -26.2 5 5 A T - 0 0 93 -3,-0.0 2,-0.7 -4,-0.0 3,-0.1 -0.538 42.0 -77.5-132.1-165.8 159.7 -16.7 -22.9 6 6 A S S S+ 0 0 108 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.519 78.0 113.9-106.3 75.3 156.9 -15.1 -20.9 7 7 A D + 0 0 151 -2,-0.7 -1,-0.1 1,-0.1 -3,-0.0 -0.137 39.0 118.2-121.2 30.3 156.2 -11.6 -22.4 8 8 A L + 0 0 156 -3,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.817 43.1 97.7 -67.2 -40.0 152.7 -12.4 -23.6 9 9 A I - 0 0 91 -3,-0.1 2,-0.1 1,-0.1 150,-0.0 -0.360 64.4-143.3 -62.9 138.7 150.7 -9.9 -21.5 10 10 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.185 46.6 -56.2 -84.6-175.6 149.8 -6.7 -23.3 11 11 A A - 0 0 89 1,-0.1 149,-0.0 -2,-0.1 0, 0.0 -0.481 61.1-123.3 -66.8 124.8 149.6 -3.2 -21.7 12 12 A P - 0 0 65 0, 0.0 148,-0.1 0, 0.0 -1,-0.1 -0.546 25.6-137.7 -73.4 127.5 147.3 -3.4 -18.7 13 13 A P > - 0 0 82 0, 0.0 3,-0.9 0, 0.0 0, 0.0 -0.145 29.0 -97.0 -76.9 175.2 144.4 -0.9 -18.9 14 14 A L G > S+ 0 0 122 1,-0.2 3,-2.5 2,-0.1 146,-0.0 0.427 92.6 112.0 -71.8 -0.0 143.1 1.2 -16.0 15 15 A S G 3 S+ 0 0 71 1,-0.3 -1,-0.2 2,-0.1 145,-0.1 0.851 80.5 47.0 -49.9 -28.4 140.4 -1.4 -15.5 16 16 A K G < S+ 0 0 47 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 -0.089 106.9 66.5 -93.9 27.0 142.1 -2.3 -12.2 17 17 A V < + 0 0 61 -3,-2.5 -1,-0.2 95,-0.1 -2,-0.1 -0.032 62.8 142.9-145.0 39.6 142.2 1.4 -11.4 18 18 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 95,-0.1 -0.138 37.8-134.7 -78.2 174.9 138.7 2.8 -11.0 19 19 A L - 0 0 85 103,-0.0 93,-0.3 95,-0.0 94,-0.1 -0.964 21.8 -94.3-138.0 150.5 137.9 5.5 -8.4 20 20 A Q - 0 0 26 91,-1.7 93,-0.1 -2,-0.3 91,-0.0 -0.331 40.8-120.5 -63.8 146.5 135.2 6.1 -5.7 21 21 A Q - 0 0 147 1,-0.1 2,-0.1 70,-0.0 -1,-0.1 0.424 60.6 -55.6 -63.1-150.0 132.2 8.2 -6.8 22 22 A N S S+ 0 0 113 69,-0.1 -1,-0.1 67,-0.0 69,-0.1 -0.008 78.8 163.9 -85.6 33.0 131.3 11.4 -4.8 23 23 A F - 0 0 41 -2,-0.1 2,-0.3 1,-0.1 68,-0.0 -0.037 35.6-116.6 -50.6 153.3 131.1 9.5 -1.5 24 24 A Q > - 0 0 84 1,-0.1 4,-1.0 66,-0.1 3,-0.3 -0.716 4.3-139.3-101.4 156.1 131.3 11.8 1.5 25 25 A D H > S+ 0 0 55 -2,-0.3 4,-1.2 1,-0.2 34,-0.3 0.779 96.0 68.5 -73.3 -37.4 133.9 12.1 4.3 26 26 A N H 4 S+ 0 0 100 1,-0.2 -1,-0.2 2,-0.2 33,-0.1 0.801 116.6 22.7 -64.1 -24.2 131.4 12.6 7.1 27 27 A Q H 4 S+ 0 0 137 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.2 0.571 111.7 70.9-112.8 -17.5 130.0 9.0 6.8 28 28 A F H < + 0 0 22 -4,-1.0 29,-0.2 2,-0.1 -2,-0.2 0.767 69.7 106.0 -70.0 -29.3 133.0 7.3 5.1 29 29 A Q < + 0 0 87 -4,-1.2 29,-0.2 -5,-0.1 2,-0.2 -0.357 50.9 115.1 -59.8 123.8 135.2 7.5 8.2 30 30 A G - 0 0 17 27,-0.5 27,-2.5 -2,-0.1 2,-0.4 -0.791 65.2 -78.9-164.1-156.6 135.4 4.0 9.7 31 31 A K E -A 56 0A 85 25,-0.3 25,-0.3 -2,-0.2 2,-0.2 -0.913 39.3-171.7-135.3 107.6 137.6 1.0 10.5 32 32 A W E -A 55 0A 8 23,-2.3 23,-1.5 -2,-0.4 2,-0.5 -0.656 23.4-124.2 -97.5 163.1 138.7 -1.5 7.8 33 33 A Y E -AB 54 140A 43 107,-1.1 107,-2.2 -2,-0.2 21,-0.2 -0.866 29.8-121.1-103.0 122.9 140.6 -4.8 8.1 34 34 A V E + B 0 139A 5 19,-2.0 105,-0.3 -2,-0.5 3,-0.1 -0.462 42.1 166.1 -67.6 120.5 143.7 -4.8 6.0 35 35 A V E + 0 0 22 103,-2.6 136,-0.3 1,-0.3 2,-0.3 0.523 54.7 8.7-124.6 -3.3 143.2 -7.8 3.6 36 36 A G E - B 0 138A 0 102,-1.0 102,-0.8 134,-0.1 -1,-0.3 -0.991 54.5-156.7-170.2 160.7 145.8 -7.5 0.8 37 37 A L E +CB 168 137A 2 131,-1.8 131,-1.6 -2,-0.3 2,-0.3 -0.924 18.2 157.5-150.3 123.3 148.9 -5.6 -0.1 38 38 A A E +CB 167 136A 2 98,-2.0 98,-4.1 -2,-0.3 129,-0.3 -0.968 11.4 133.0-146.7 135.6 150.6 -4.9 -3.5 39 39 A G E > -CB 166 135A 0 127,-1.6 127,-1.2 -2,-0.3 3,-0.7 -0.991 57.1-108.2-170.4 169.3 153.0 -2.2 -4.8 40 40 A N T 3 S+ 0 0 48 94,-1.0 95,-0.1 -2,-0.3 -1,-0.1 0.763 120.5 38.1 -77.1 -25.4 156.2 -1.6 -6.8 41 41 A A T 3 S+ 0 0 58 93,-0.7 2,-0.4 125,-0.1 -1,-0.2 0.065 92.8 115.8-109.4 19.6 158.2 -0.6 -3.7 42 42 A I < - 0 0 19 -3,-0.7 2,-1.1 92,-0.2 -3,-0.1 -0.754 61.1-137.2 -96.2 137.4 156.6 -3.2 -1.4 43 43 A L + 0 0 135 -2,-0.4 2,-0.9 -5,-0.0 -3,-0.1 -0.688 27.2 171.0 -97.4 94.9 158.7 -6.0 0.1 44 44 A R + 0 0 102 -2,-1.1 2,-0.5 5,-0.1 3,-0.1 -0.804 10.2 173.4 -99.7 105.6 156.8 -9.3 -0.1 45 45 A E - 0 0 89 -2,-0.9 3,-0.1 3,-0.8 -2,-0.0 -0.919 34.6-145.1-113.0 135.3 159.2 -12.1 1.0 46 46 A D S S+ 0 0 139 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.922 105.8 52.6 -60.0 -40.1 158.1 -15.7 1.5 47 47 A K S S+ 0 0 182 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.881 121.2 31.2 -61.9 -40.1 160.7 -15.9 4.3 48 48 A D S S- 0 0 114 -3,-0.1 -3,-0.8 2,-0.0 -1,-0.3 -0.693 79.8-172.0-126.2 82.1 159.3 -12.8 6.0 49 49 A P - 0 0 86 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.336 27.5-114.4 -70.0 150.2 155.5 -12.5 5.4 50 50 A Q - 0 0 70 120,-0.1 2,-0.1 -2,-0.0 -2,-0.0 -0.770 21.9-132.6 -91.3 125.2 153.8 -9.3 6.5 51 51 A K - 0 0 159 -2,-0.6 2,-0.2 120,-0.1 120,-0.1 -0.442 29.2-117.1 -69.0 140.3 151.2 -9.7 9.3 52 52 A M - 0 0 23 -2,-0.1 2,-0.2 121,-0.1 20,-0.1 -0.501 35.8-177.5 -77.8 152.4 148.0 -7.8 8.5 53 53 A Y - 0 0 76 -2,-0.2 -19,-2.0 18,-0.1 2,-0.3 -0.514 20.5-108.6-130.4-161.5 146.9 -4.9 10.6 54 54 A A E -AD 33 70A 9 16,-2.4 16,-4.1 -21,-0.2 2,-0.4 -0.957 18.9-164.3-135.0 154.8 143.9 -2.5 10.7 55 55 A T E -AD 32 69A 10 -23,-1.5 -23,-2.3 -2,-0.3 2,-0.5 -0.993 7.2-152.7-143.3 133.8 143.4 1.2 10.0 56 56 A I E -AD 31 68A 38 12,-3.7 12,-2.4 -2,-0.4 2,-0.7 -0.898 8.8-147.1-110.1 131.2 140.5 3.5 10.9 57 57 A Y E + D 0 67A 22 -27,-2.5 2,-0.6 -2,-0.5 -27,-0.5 -0.840 20.3 178.8 -99.7 113.5 139.6 6.6 8.8 58 58 A E E - D 0 66A 97 8,-1.2 8,-3.2 -2,-0.7 2,-0.1 -0.931 12.8-154.2-119.3 113.5 138.3 9.4 11.0 59 59 A L E - D 0 65A 27 -2,-0.6 2,-0.3 -34,-0.3 6,-0.3 -0.453 7.1-147.3 -79.9 160.5 137.3 12.7 9.3 60 60 A K E > - D 0 64A 110 4,-2.6 2,-3.1 -2,-0.1 4,-0.8 -0.883 35.0 -96.8-125.2 154.7 137.3 16.1 11.1 61 61 A E T 4 S+ 0 0 202 -2,-0.3 -2,-0.0 1,-0.2 -35,-0.0 0.118 114.8 69.4 -63.1 38.3 135.0 19.1 10.6 62 62 A D T 4 S- 0 0 67 -2,-3.1 -1,-0.2 2,-0.3 3,-0.1 -0.346 117.8 -94.1-149.1 59.1 137.7 20.6 8.4 63 63 A K T 4 S+ 0 0 139 -3,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.814 93.0 111.1 25.9 60.2 137.9 18.4 5.2 64 64 A S E < -D 60 0A 12 -4,-0.8 -4,-2.6 21,-0.2 2,-0.5 -0.998 57.0-140.3-153.9 152.8 140.7 16.3 6.7 65 65 A Y E -DE 59 84A 14 19,-4.3 19,-3.2 -2,-0.3 2,-0.7 -0.939 2.4-158.2-115.4 137.5 141.2 12.8 8.0 66 66 A N E -DE 58 83A 54 -8,-3.2 -8,-1.2 -2,-0.5 2,-0.5 -0.888 24.2-157.5-106.7 112.2 143.1 11.5 11.0 67 67 A V E -DE 57 82A 2 15,-3.7 15,-2.5 -2,-0.7 2,-0.6 -0.821 6.2-158.1 -98.6 127.9 143.8 7.9 10.2 68 68 A T E -DE 56 81A 19 -12,-2.4 -12,-3.7 -2,-0.5 2,-0.6 -0.865 3.0-160.1-103.3 121.4 144.6 5.4 13.0 69 69 A S E -DE 55 80A 31 11,-3.6 11,-1.9 -2,-0.6 2,-0.4 -0.838 10.6-151.1-100.0 121.6 146.5 2.3 12.0 70 70 A V E -DE 54 79A 4 -16,-4.1 -16,-2.4 -2,-0.6 2,-0.3 -0.769 13.4-168.9 -95.1 134.3 146.0 -0.5 14.6 71 71 A L E - E 0 78A 73 7,-1.8 7,-1.4 -2,-0.4 2,-0.5 -0.757 18.2-116.8-120.8 164.7 148.8 -3.1 15.0 72 72 A F E - E 0 77A 87 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.878 23.0-173.3-105.2 134.8 149.1 -6.4 16.9 73 73 A R - 0 0 121 3,-4.4 3,-0.1 -2,-0.5 0, 0.0 -0.496 51.8 -84.2-110.3 179.2 151.3 -7.3 19.8 74 74 A K S S- 0 0 197 1,-0.3 -1,-0.1 -2,-0.2 3,-0.0 0.959 124.5 -8.2 -56.4 -39.5 151.7 -10.7 21.4 75 75 A K S S+ 0 0 183 1,-0.0 2,-0.3 -3,-0.0 -1,-0.3 -0.036 129.1 68.6-143.1 40.6 148.6 -10.0 23.4 76 76 A K - 0 0 143 -3,-0.1 -3,-4.4 2,-0.0 2,-0.5 -0.992 58.6-145.8-153.2 149.9 147.9 -6.4 22.7 77 77 A a E -E 72 0A 35 -2,-0.3 -5,-0.2 -5,-0.3 2,-0.2 -0.938 24.1-170.5-116.1 127.9 146.7 -4.1 19.9 78 78 A D E -E 71 0A 56 -7,-1.4 -7,-1.8 -2,-0.5 2,-0.4 -0.614 12.8-128.0-114.7 173.2 148.2 -0.6 19.8 79 79 A Y E +E 70 0A 123 -9,-0.2 2,-0.3 -2,-0.2 -9,-0.2 -0.972 21.3 173.3-126.2 141.8 147.3 2.6 17.7 80 80 A W E -E 69 0A 159 -11,-1.9 -11,-3.6 -2,-0.4 2,-0.5 -0.967 21.1-142.7-140.6 147.2 149.4 5.0 15.5 81 81 A I E +E 68 0A 71 -2,-0.3 2,-0.3 -13,-0.3 -13,-0.3 -0.935 19.3 177.2-122.4 137.9 147.9 7.8 13.4 82 82 A R E -E 67 0A 131 -15,-2.5 -15,-3.7 -2,-0.5 2,-0.4 -0.890 29.2-126.4-123.4 151.0 148.6 9.3 10.0 83 83 A T E -E 66 0A 48 -2,-0.3 13,-1.2 -17,-0.3 2,-0.4 -0.786 19.4-168.3-100.0 146.7 146.5 12.1 8.6 84 84 A F E -EF 65 95A 16 -19,-3.2 -19,-4.3 -2,-0.4 11,-0.2 -0.969 4.3-172.5-127.7 142.8 144.8 12.2 5.1 85 85 A V E - F 0 94A 29 9,-2.4 9,-3.5 -2,-0.4 24,-0.2 -0.995 28.7-110.9-140.1 136.1 143.2 15.2 3.5 86 86 A P E - F 0 93A 15 0, 0.0 7,-0.4 0, 0.0 24,-0.1 -0.295 26.1-138.8 -63.7 139.6 141.2 15.5 0.3 87 87 A G S S- 0 0 28 5,-3.9 6,-0.1 2,-0.5 7,-0.1 0.935 72.8 -39.9 -65.6 -88.8 143.0 17.3 -2.5 88 88 A C S S+ 0 0 120 1,-0.2 5,-0.1 5,-0.0 -1,-0.1 0.614 127.2 6.9-110.5 -25.6 140.4 19.6 -4.2 89 89 A Q S > S- 0 0 117 3,-0.2 3,-1.2 0, 0.0 -2,-0.5 -0.893 94.2 -66.7-148.0 176.7 137.5 17.2 -4.1 90 90 A P T 3 S+ 0 0 59 0, 0.0 3,-0.1 0, 0.0 -66,-0.1 -0.450 113.3 44.7 -74.5 138.6 136.3 13.9 -2.9 91 91 A G T 3 S+ 0 0 8 -2,-0.1 2,-0.4 1,-0.1 -71,-0.2 0.052 104.6 72.3 111.4 -24.6 138.1 10.9 -4.4 92 92 A E < + 0 0 58 -3,-1.2 -5,-3.9 18,-0.1 2,-0.3 -0.975 55.5 158.2-126.9 130.3 141.6 12.6 -4.1 93 93 A F E -FG 86 109A 31 16,-2.7 16,-4.2 -2,-0.4 2,-0.3 -0.933 22.2-146.6-138.5 168.8 143.5 13.1 -0.8 94 94 A T E -FG 85 108A 31 -9,-3.5 -9,-2.4 -2,-0.3 2,-0.4 -0.833 15.5-124.5-131.5 169.9 147.1 13.6 0.3 95 95 A L E > -F 84 0A 14 12,-0.9 3,-0.7 -2,-0.3 2,-0.3 -0.930 66.9 -18.8-116.5 144.2 149.1 12.6 3.4 96 96 A G T 3 S- 0 0 13 -13,-1.2 -2,-0.1 -2,-0.4 3,-0.1 -0.536 104.5 -62.0 74.6-126.5 151.1 14.7 5.8 97 97 A N T >> + 0 0 91 -2,-0.3 3,-1.5 1,-0.0 4,-1.0 -0.463 59.9 171.6-151.6 56.1 151.9 18.1 4.4 98 98 A I T <4 S+ 0 0 41 -3,-0.7 3,-0.3 1,-0.3 -2,-0.1 0.818 79.3 59.7 -54.2 -19.3 154.0 17.2 1.4 99 99 A K T 34 S+ 0 0 195 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.918 117.9 29.1 -68.6 -42.5 153.8 20.9 0.4 100 100 A S T <4 S+ 0 0 99 -3,-1.5 -1,-0.2 0, 0.0 -2,-0.2 0.301 104.0 107.4 -93.8 -0.6 155.4 22.0 3.7 101 101 A Y < - 0 0 114 -4,-1.0 -5,-0.0 -3,-0.3 -3,-0.0 -0.644 56.1-151.7 -92.2 149.5 157.5 18.7 4.1 102 102 A P S S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.980 91.1 15.7 -76.5 -77.0 161.2 18.3 3.7 103 103 A G S S+ 0 0 26 25,-0.1 26,-3.2 26,-0.0 2,-0.5 0.485 108.0 90.6 -88.8 5.3 162.0 14.7 2.6 104 104 A L E + H 0 128A 28 24,-0.3 24,-0.2 1,-0.2 -3,-0.1 -0.823 51.9 175.5-100.1 123.0 158.3 14.0 1.6 105 105 A T E - 0 0 47 22,-3.0 2,-0.3 -2,-0.5 23,-0.2 0.851 59.5 -8.9-101.3 -46.6 157.9 14.9 -2.0 106 106 A S E + H 0 127A 64 21,-1.9 21,-1.9 2,-0.0 2,-0.6 -0.772 55.2 178.8-159.6 108.2 154.4 14.0 -3.3 107 107 A Y E + H 0 126A 26 19,-0.3 -12,-0.9 -2,-0.3 2,-0.4 -0.882 11.5 167.1-117.9 105.5 151.7 11.9 -1.4 108 108 A L E -GH 94 125A 43 17,-2.7 17,-2.0 -2,-0.6 2,-0.4 -0.940 12.9-166.4-119.1 137.0 148.4 11.4 -3.2 109 109 A V E +GH 93 124A 9 -16,-4.2 -16,-2.7 -2,-0.4 2,-0.3 -0.967 12.0 168.5-122.4 135.4 145.7 8.9 -2.1 110 110 A R E - H 0 123A 99 13,-1.7 13,-1.2 -2,-0.4 -18,-0.1 -0.792 25.9-142.5-146.1 104.4 142.7 7.8 -4.1 111 111 A V E - H 0 122A 16 -2,-0.3 -91,-1.7 11,-0.2 11,-0.3 -0.325 13.0-150.1 -62.3 140.2 140.5 4.8 -3.0 112 112 A V E - 0 0 8 9,-2.7 2,-0.4 -93,-0.3 10,-0.1 0.963 65.4 -22.5 -80.4 -69.8 139.4 2.9 -6.1 113 113 A S E - 0 0 53 8,-0.4 8,-1.8 -94,-0.1 2,-0.4 -0.982 61.4-152.2-145.6 129.8 136.1 1.4 -5.2 114 114 A T E - H 0 120A 12 -2,-0.4 6,-0.3 6,-0.3 2,-0.3 -0.809 15.1-176.7-101.5 148.1 134.6 0.7 -1.8 115 115 A N E >> - H 0 119A 56 4,-2.2 3,-4.8 -2,-0.4 4,-0.8 -0.667 10.9-174.4-131.6 64.3 132.1 -2.0 -0.9 116 116 A Y T 34 S+ 0 0 116 1,-0.3 4,-0.1 -2,-0.3 -1,-0.1 0.674 81.9 58.3 -49.5 -7.9 131.7 -1.1 2.8 117 117 A N T 34 S- 0 0 74 2,-0.2 -1,-0.3 25,-0.1 27,-0.1 0.588 133.7 -2.6 -93.2 -6.8 129.5 -4.1 3.3 118 118 A Q T <4 S- 0 0 52 -3,-4.8 24,-0.5 1,-0.2 2,-0.3 0.438 120.9 -24.3-141.6 -69.0 132.3 -6.4 2.1 119 119 A H E < -H 115 0A 46 -4,-0.8 -4,-2.2 21,-0.2 2,-0.3 -0.994 40.5-154.7-151.3 164.1 135.6 -4.8 0.9 120 120 A A E -HI 114 139A 0 19,-1.6 19,-1.7 -2,-0.3 2,-0.4 -0.970 14.7-137.7-142.3 155.2 137.2 -1.7 -0.6 121 121 A M E - I 0 138A 42 -8,-1.8 -9,-2.7 -2,-0.3 2,-0.5 -0.936 13.7-159.2-119.6 136.6 140.4 -1.1 -2.7 122 122 A V E -HI 111 137A 2 15,-3.1 15,-1.7 -2,-0.4 2,-0.7 -0.932 10.3-157.2-114.6 138.2 143.0 1.6 -2.2 123 123 A F E -HI 110 136A 43 -13,-1.2 -13,-1.7 -2,-0.5 2,-0.6 -0.861 18.6-170.5-107.9 105.0 145.5 3.1 -4.6 124 124 A F E +HI 109 135A 21 11,-3.9 11,-3.2 -2,-0.7 2,-0.4 -0.830 9.1 172.1 -98.7 122.6 148.3 4.7 -2.6 125 125 A K E +HI 108 134A 102 -17,-2.0 -17,-2.7 -2,-0.6 2,-0.3 -0.985 9.7 144.0-131.1 131.2 150.9 6.7 -4.5 126 126 A K E -HI 107 133A 18 7,-1.9 7,-1.9 -2,-0.4 2,-0.4 -0.997 28.5-147.9-158.1 159.3 153.7 8.9 -2.9 127 127 A V E -HI 106 132A 33 -21,-1.9 -22,-3.0 -2,-0.3 -21,-1.9 -0.990 9.3-146.5-131.4 143.1 157.3 10.1 -3.4 128 128 A S E > -HI 104 131A 28 3,-1.8 3,-2.0 -2,-0.4 -24,-0.3 -0.503 60.2 -65.0 -98.5 167.9 160.0 10.9 -1.0 129 129 A Q T 3 S- 0 0 136 -26,-3.2 -25,-0.1 1,-0.3 -26,-0.0 0.764 132.3 -10.0 -19.8 -50.1 162.7 13.6 -1.7 130 130 A N T 3 S+ 0 0 113 -27,-0.2 2,-0.4 2,-0.0 -1,-0.3 -0.001 114.8 100.5-146.2 39.5 163.8 11.3 -4.5 131 131 A R E < - I 0 128A 166 -3,-2.0 -3,-1.8 2,-0.0 2,-0.6 -0.968 48.5-160.5-126.2 137.5 162.0 8.0 -4.1 132 132 A E E + I 0 127A 157 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.915 26.3 146.1-120.8 111.7 159.0 6.9 -6.1 133 133 A Y E - I 0 126A 55 -7,-1.9 -7,-1.9 -2,-0.6 2,-0.3 -0.995 20.6-170.5-140.9 150.1 156.8 4.0 -4.7 134 134 A F E - I 0 125A 64 -2,-0.3 -94,-1.0 -9,-0.2 -93,-0.7 -0.976 3.4-164.5-140.7 151.5 153.1 3.2 -4.8 135 135 A K E -BI 39 124A 33 -11,-3.2 -11,-3.9 -2,-0.3 2,-0.4 -0.995 6.1-158.8-137.2 143.7 150.9 0.6 -3.0 136 136 A I E -BI 38 123A 28 -98,-4.1 -98,-2.0 -2,-0.4 2,-0.3 -0.969 18.2-177.5-123.5 130.0 147.4 -0.8 -3.5 137 137 A T E -BI 37 122A 7 -15,-1.7 -15,-3.1 -2,-0.4 2,-0.4 -0.929 19.0-153.5-126.0 159.1 145.5 -2.5 -0.7 138 138 A L E +BI 36 121A 2 -102,-0.8 -103,-2.6 -2,-0.3 -102,-1.0 -0.987 24.6 169.6-128.3 130.1 142.2 -4.3 -0.1 139 139 A Y E -BI 34 120A 7 -19,-1.7 -19,-1.6 -2,-0.4 2,-0.6 -0.785 32.6-114.4-134.9 175.4 140.6 -4.3 3.4 140 140 A G E -B 33 0A 3 -107,-2.2 -107,-1.1 -2,-0.2 -21,-0.2 -0.884 15.9-175.5-120.9 108.0 137.3 -5.2 5.1 141 141 A R S S+ 0 0 44 -2,-0.6 -110,-0.2 -109,-0.3 2,-0.2 0.508 73.6 70.5 -77.7 1.8 135.2 -2.5 6.7 142 142 A T S S- 0 0 32 -24,-0.5 -109,-0.1 -109,-0.1 3,-0.1 -0.637 97.0-107.9-110.8 172.8 132.9 -5.3 7.9 143 143 A K S S+ 0 0 168 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.826 103.8 14.6 -69.9 -27.4 133.4 -8.0 10.6 144 144 A E - 0 0 122 -27,-0.1 -1,-0.2 -3,-0.0 2,-0.1 -0.994 63.9-169.6-144.0 154.4 133.6 -10.6 7.8 145 145 A L - 0 0 32 -2,-0.3 2,-0.4 -3,-0.1 -26,-0.1 -0.150 42.0 -68.8-118.1-143.5 134.2 -10.7 4.0 146 146 A T > - 0 0 53 1,-0.1 3,-1.1 -2,-0.1 4,-0.4 -0.899 24.1-134.1-117.1 147.0 133.9 -13.6 1.5 147 147 A S T >> S+ 0 0 109 -2,-0.4 3,-0.9 1,-0.3 4,-0.6 0.819 110.4 60.8 -69.8 -19.6 136.2 -16.6 1.2 148 148 A E H 3> S+ 0 0 104 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.772 83.6 80.2 -70.0 -28.2 136.1 -15.9 -2.6 149 149 A L H <> S+ 0 0 20 -3,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.785 86.6 59.7 -54.4 -24.5 137.7 -12.5 -1.8 150 150 A K H <> S+ 0 0 90 -3,-0.9 4,-1.6 -4,-0.4 -1,-0.2 0.994 113.7 31.4 -69.8 -59.9 141.0 -14.3 -1.5 151 151 A E H X S+ 0 0 139 -4,-0.6 4,-3.1 1,-0.2 5,-0.3 0.891 118.9 57.4 -62.8 -40.0 141.2 -15.8 -5.1 152 152 A N H X S+ 0 0 39 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.910 104.3 50.6 -62.1 -40.2 139.2 -12.8 -6.4 153 153 A F H X S+ 0 0 10 -4,-1.8 4,-1.7 -5,-0.3 5,-0.3 0.930 116.1 42.4 -65.7 -39.8 141.7 -10.3 -5.2 154 154 A I H X S+ 0 0 55 -4,-1.6 4,-3.1 -5,-0.2 5,-0.2 0.935 115.9 47.1 -70.1 -49.0 144.6 -12.2 -6.8 155 155 A R H X S+ 0 0 124 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.943 114.0 47.1 -63.9 -43.7 142.8 -13.0 -10.1 156 156 A F H X S+ 0 0 92 -4,-2.3 4,-1.9 -5,-0.3 5,-0.4 0.990 119.2 39.5 -61.5 -55.8 141.6 -9.4 -10.6 157 157 A S H X S+ 0 0 17 -4,-1.7 4,-3.9 -5,-0.3 5,-0.5 0.900 116.3 53.3 -60.3 -40.0 145.0 -7.9 -9.8 158 158 A K H X S+ 0 0 108 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.2 0.941 107.6 49.3 -63.1 -46.6 146.7 -10.7 -11.7 159 159 A S H < S+ 0 0 96 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.908 128.4 24.3 -60.8 -40.1 144.7 -10.2 -14.9 160 160 A L H < S+ 0 0 14 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.854 139.3 26.0 -89.7 -48.7 145.3 -6.4 -14.9 161 161 A G H >< S- 0 0 6 -4,-3.9 3,-1.7 -5,-0.4 -3,-0.2 0.386 86.7-167.5-101.3 2.2 148.6 -6.1 -12.9 162 162 A L T 3< - 0 0 9 -4,-1.8 2,-0.8 -5,-0.5 3,-0.3 0.090 59.2 -50.4 36.9-159.8 150.0 -9.6 -13.6 163 163 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 -0.429 88.3 143.7 -94.6 48.4 153.0 -10.6 -11.4 164 164 A E S < S- 0 0 118 -3,-1.7 -2,-0.1 -2,-0.8 2,-0.1 0.927 70.0 -34.9 -60.0 -50.1 154.7 -7.3 -12.2 165 165 A N S S- 0 0 65 -3,-0.3 2,-0.9 -4,-0.2 -125,-0.2 -0.206 109.3 -23.5-141.9-125.3 156.3 -6.6 -8.8 166 166 A H E S+C 39 0A 62 -127,-1.2 -127,-1.6 -2,-0.1 2,-1.0 -0.454 79.4 142.4 -97.8 55.7 155.4 -7.2 -5.2 167 167 A I E +C 38 0A 35 -2,-0.9 -129,-0.3 -129,-0.3 2,-0.3 -0.730 28.6 113.6-102.7 85.0 151.6 -7.3 -5.8 168 168 A V E -C 37 0A 43 -131,-1.6 -131,-1.8 -2,-1.0 -2,-0.0 -0.886 66.7-115.0-141.1 177.7 150.2 -10.0 -3.5 169 169 A F + 0 0 50 -2,-0.3 2,-0.5 -133,-0.2 -131,-0.1 -0.659 37.9 160.6-120.4 78.3 147.9 -10.6 -0.5 170 170 A P + 0 0 27 0, 0.0 -134,-0.1 0, 0.0 -120,-0.1 -0.131 38.3 122.3 -83.0 32.8 150.2 -11.9 2.2 171 171 A V - 0 0 10 -2,-0.5 -120,-0.1 -136,-0.3 -2,-0.0 -0.874 42.0-171.6-109.1 107.0 147.5 -10.9 4.7 172 172 A P - 0 0 69 0, 0.0 -1,-0.0 0, 0.0 -122,-0.0 0.167 32.5-104.3 -74.1-160.8 146.2 -13.7 7.0 173 173 A I + 0 0 112 2,-0.1 -121,-0.1 1,-0.0 -139,-0.1 0.748 59.6 139.2 -95.5 -87.7 143.2 -13.2 9.3 174 174 A D - 0 0 94 1,-0.1 5,-0.1 2,-0.1 -1,-0.0 0.913 41.1-161.9 50.2 44.8 144.3 -12.8 12.9 175 175 A Q > - 0 0 46 1,-0.2 3,-1.2 2,-0.1 -1,-0.1 -0.260 19.3-131.0 -60.0 140.1 141.7 -10.1 13.6 176 176 A a G > S+ 0 0 30 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.652 99.9 74.0 -75.8 -10.2 142.8 -8.2 16.8 177 177 A I G 3 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.0 -2,-0.1 0.673 91.5 58.5 -75.3 -11.6 139.2 -8.4 18.2 178 178 A D G < 0 0 106 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.444 360.0 360.0 -94.2 -0.1 140.0 -12.1 18.9 179 179 A G < 0 0 104 -3,-1.2 -1,-0.2 -4,-0.1 -102,-0.1 -0.611 360.0 360.0-114.4 360.0 143.0 -11.2 21.1