==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-DEC-04 1Y80 . COMPND 2 MOLECULE: PREDICTED COBALAMIN BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MOORELLA THERMOACETICA; . AUTHOR Z.-J.LIU,Z.-Q.FU,W.TEMPEL,A.DAS,J.HABEL,W.ZHOU,J.CHANG,L.CHE . 125 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 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 . 6 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 1 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 85 A M 0 0 171 0, 0.0 3,-0.1 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 127.6 30.4 13.4 15.1 2 86 A P - 0 0 110 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.279 360.0-107.3 -55.7 144.1 27.7 15.9 14.1 3 87 A S - 0 0 66 1,-0.1 30,-0.2 30,-0.0 3,-0.1 -0.611 31.5-176.2 -76.2 127.4 25.2 16.6 17.0 4 88 A V - 0 0 84 28,-1.9 2,-0.3 -2,-0.4 29,-0.2 0.293 69.3 -23.4-102.4 7.6 21.7 15.1 16.5 5 89 A G - 0 0 7 27,-0.5 29,-3.0 2,-0.0 2,-0.4 -0.865 62.0-106.9 161.4 165.1 20.3 16.6 19.7 6 90 A K E -a 34 0A 79 -2,-0.3 51,-2.5 27,-0.2 52,-1.8 -0.978 29.3-175.6-122.8 130.7 21.1 18.1 23.1 7 91 A I E -ab 35 58A 0 27,-2.9 29,-3.2 -2,-0.4 2,-0.5 -0.988 15.1-156.0-130.2 127.4 20.4 16.3 26.3 8 92 A V E -ab 36 59A 0 50,-2.7 52,-3.2 -2,-0.4 2,-0.4 -0.917 23.2-174.2 -96.4 128.6 20.8 17.5 29.9 9 93 A L E +ab 37 60A 6 27,-2.8 29,-3.3 -2,-0.5 30,-0.4 -0.975 10.8 154.1-126.1 140.7 21.2 14.5 32.3 10 94 A G E - b 0 61A 1 50,-1.8 52,-2.0 -2,-0.4 2,-0.4 -0.991 42.5-116.7-157.8 155.7 21.4 14.4 36.1 11 95 A T E - b 0 62A 0 28,-2.6 31,-2.6 -2,-0.3 52,-0.2 -0.814 52.5-109.5 -89.4 137.0 20.9 12.3 39.2 12 96 A V B > -e 42 0B 0 50,-2.0 3,-2.0 -2,-0.4 29,-0.7 -0.031 42.4 -65.3 -73.3 167.6 18.2 13.9 41.3 13 97 A K T 3 S+ 0 0 84 29,-1.1 58,-0.2 28,-0.3 -1,-0.2 -0.182 121.1 17.7 -48.4 134.6 18.4 15.7 44.6 14 98 A G T 3 S+ 0 0 45 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.294 104.0 105.9 87.6 -7.8 19.3 13.4 47.5 15 99 A D < + 0 0 0 -3,-2.0 26,-2.0 53,-0.1 -1,-0.2 -0.897 39.7 177.0-117.3 130.5 20.7 10.7 45.2 16 100 A L + 0 0 122 -2,-0.4 2,-0.4 24,-0.2 -1,-0.1 0.310 45.8 115.9-114.0 4.6 24.4 10.0 44.6 17 101 A H + 0 0 87 1,-0.1 24,-0.1 45,-0.1 45,-0.1 -0.637 22.6 148.8 -79.1 128.8 24.1 7.0 42.2 18 102 A D > + 0 0 58 -2,-0.4 4,-2.7 2,-0.1 5,-0.2 0.399 40.1 96.6-141.6 2.3 25.5 7.6 38.7 19 103 A I H > S+ 0 0 148 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.946 95.7 40.9 -58.6 -49.0 26.8 4.3 37.3 20 104 A G H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 3,-0.2 0.942 115.1 50.6 -63.3 -50.8 23.6 3.8 35.3 21 105 A K H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.896 109.4 52.3 -53.1 -43.5 23.2 7.4 34.3 22 106 A N H X S+ 0 0 64 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.843 108.1 49.8 -67.2 -34.9 26.8 7.4 33.1 23 107 A L H X S+ 0 0 78 -4,-1.6 4,-2.6 -3,-0.2 -1,-0.2 0.909 110.2 51.3 -66.8 -42.7 26.2 4.3 30.9 24 108 A V H X S+ 0 0 30 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.939 110.5 49.5 -55.7 -47.7 23.1 6.1 29.5 25 109 A A H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.936 110.5 49.8 -57.3 -50.3 25.2 9.1 28.7 26 110 A M H X S+ 0 0 108 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.912 112.9 46.2 -55.4 -46.6 27.9 7.0 27.0 27 111 A M H X S+ 0 0 61 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.886 111.4 51.3 -69.2 -38.2 25.3 5.2 24.8 28 112 A L H ><>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 3,-0.9 0.914 108.7 51.6 -61.2 -42.7 23.5 8.5 23.9 29 113 A E H ><5S+ 0 0 102 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.867 101.1 62.5 -62.6 -34.8 26.8 10.0 22.8 30 114 A S H 3<5S+ 0 0 90 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.767 103.0 50.5 -62.7 -26.0 27.5 6.9 20.6 31 115 A G T <<5S- 0 0 50 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.354 130.0 -91.0 -94.9 4.3 24.4 7.8 18.5 32 116 A G T < 5S+ 0 0 5 -3,-1.6 -28,-1.9 1,-0.3 -27,-0.5 0.382 77.6 142.8 106.2 -2.9 25.4 11.5 18.0 33 117 A F < - 0 0 13 -5,-1.9 2,-0.6 -30,-0.2 -1,-0.3 -0.429 49.0-132.9 -72.4 143.8 23.8 13.2 21.0 34 118 A T E -a 6 0A 44 -29,-3.0 -27,-2.9 -2,-0.1 2,-0.5 -0.895 30.1-162.9 -89.7 121.3 25.4 16.0 22.8 35 119 A V E -a 7 0A 16 -2,-0.6 2,-0.8 -29,-0.2 -27,-0.2 -0.937 18.6-163.4-118.0 124.7 25.1 15.2 26.5 36 120 A Y E -a 8 0A 59 -29,-3.2 -27,-2.8 -2,-0.5 2,-0.9 -0.910 13.8-161.1-103.8 102.4 25.6 17.6 29.4 37 121 A N E -a 9 0A 68 -2,-0.8 -27,-0.2 -29,-0.2 3,-0.1 -0.771 6.8-171.9 -89.2 105.1 26.0 15.3 32.4 38 122 A L - 0 0 48 -29,-3.3 2,-0.3 -2,-0.9 -28,-0.2 0.707 33.0-130.0 -74.1 -21.5 25.3 17.6 35.4 39 123 A G - 0 0 22 -30,-0.4 -28,-2.6 3,-0.1 -1,-0.3 -0.772 38.5 -39.8 105.1-151.7 26.4 15.0 38.1 40 124 A V S S+ 0 0 46 -2,-0.3 -24,-0.2 -30,-0.2 3,-0.2 -0.605 108.3 31.9-115.4 167.9 24.5 13.9 41.2 41 125 A D S S- 0 0 75 -26,-2.0 2,-0.6 -29,-0.7 -28,-0.3 0.866 77.0-179.1 55.3 40.9 22.4 15.4 43.9 42 126 A I B -e 12 0B 19 -31,-2.6 -29,-1.1 -3,-0.3 -1,-0.2 -0.637 20.1-136.0 -82.9 116.7 21.1 17.9 41.3 43 127 A E >> - 0 0 80 -2,-0.6 4,-1.7 -31,-0.2 3,-1.1 -0.327 22.3-112.5 -65.1 148.7 18.6 20.4 42.8 44 128 A P H 3> S+ 0 0 21 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.895 118.8 53.2 -47.3 -45.0 15.4 21.2 40.8 45 129 A G H 3> S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.758 103.4 55.7 -65.7 -26.3 16.7 24.8 40.2 46 130 A K H <> S+ 0 0 114 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.845 105.3 51.8 -76.9 -32.7 20.0 23.5 38.9 47 131 A F H X S+ 0 0 0 -4,-1.7 4,-2.2 -3,-0.2 -2,-0.2 0.926 110.9 49.4 -61.5 -43.2 18.1 21.5 36.2 48 132 A V H X S+ 0 0 19 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.941 110.0 49.7 -60.4 -48.9 16.3 24.8 35.4 49 133 A E H X S+ 0 0 108 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.913 110.9 51.0 -55.2 -45.1 19.6 26.7 35.1 50 134 A A H X S+ 0 0 7 -4,-2.2 4,-3.0 2,-0.2 5,-0.4 0.868 106.9 52.9 -62.3 -40.1 21.0 23.9 32.8 51 135 A V H X S+ 0 0 7 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.917 112.5 45.0 -64.5 -41.8 18.0 24.1 30.5 52 136 A K H < S+ 0 0 123 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.901 118.0 44.4 -63.9 -40.2 18.5 27.9 30.2 53 137 A K H < S+ 0 0 151 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.938 126.9 25.5 -72.2 -48.9 22.2 27.5 29.7 54 138 A Y H < S- 0 0 59 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.581 85.9-142.7 -97.5 -14.0 22.3 24.6 27.2 55 139 A Q < - 0 0 155 -4,-1.7 -4,-0.1 -5,-0.4 -3,-0.1 0.918 33.6-170.0 47.5 55.2 18.9 24.8 25.5 56 140 A P - 0 0 6 0, 0.0 -49,-0.2 0, 0.0 -1,-0.1 -0.281 33.0-141.0 -75.9 159.1 18.5 21.0 25.4 57 141 A D S S+ 0 0 68 -51,-2.5 32,-2.1 1,-0.2 2,-0.4 0.765 89.4 30.6 -80.4 -33.3 15.9 19.1 23.6 58 142 A I E -bc 7 89A 0 -52,-1.8 -50,-2.7 30,-0.2 2,-0.5 -0.971 60.4-157.3-133.6 141.9 15.6 16.6 26.4 59 143 A V E -bc 8 90A 0 30,-2.8 32,-2.6 -2,-0.4 2,-0.4 -0.991 19.8-166.6-113.7 124.2 16.1 16.6 30.2 60 144 A G E -bc 9 91A 2 -52,-3.2 -50,-1.8 -2,-0.5 2,-0.4 -0.937 3.4-167.2-115.2 137.8 16.8 13.2 31.7 61 145 A M E -bc 10 92A 5 30,-2.2 32,-1.9 -2,-0.4 2,-0.4 -0.969 2.1-162.8-125.8 136.1 16.7 12.3 35.4 62 146 A S E +bc 11 93A 13 -52,-2.0 -50,-2.0 -2,-0.4 2,-0.3 -0.928 10.7 173.3-115.8 140.8 18.0 9.2 37.1 63 147 A A + 0 0 0 30,-1.8 34,-0.3 -2,-0.4 -45,-0.0 -0.970 16.6 173.9-144.7 134.4 17.0 8.0 40.6 64 148 A L + 0 0 62 -2,-0.3 2,-0.5 30,-0.2 -1,-0.1 0.539 66.2 78.1-109.9 -16.2 18.0 4.7 42.3 65 149 A L S >> S- 0 0 65 1,-0.1 3,-1.8 -48,-0.1 4,-0.7 -0.842 70.5-145.3 -94.9 127.5 16.4 5.5 45.8 66 150 A T G >4 S+ 0 0 107 -2,-0.5 3,-0.8 1,-0.3 4,-0.4 0.864 103.2 59.9 -49.8 -36.2 12.7 5.1 46.2 67 151 A T G 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 -52,-0.0 0.508 104.8 46.7 -78.0 -5.6 12.9 8.1 48.5 68 152 A T G X4 S+ 0 0 5 -3,-1.8 3,-1.4 2,-0.1 4,-0.4 0.479 85.0 91.3-108.8 -5.4 14.3 10.4 45.8 69 153 A M T XX S+ 0 0 19 -3,-0.8 3,-1.7 -4,-0.7 4,-0.6 0.851 79.8 60.1 -59.0 -36.4 11.9 9.5 43.0 70 154 A M H 3> S+ 0 0 97 -4,-0.4 4,-1.8 1,-0.3 3,-0.3 0.702 89.6 71.3 -70.6 -16.2 9.5 12.3 44.0 71 155 A N H <> S+ 0 0 35 -3,-1.4 4,-1.9 1,-0.2 -1,-0.3 0.677 88.0 64.8 -68.7 -16.6 12.3 14.9 43.4 72 156 A M H <> S+ 0 0 0 -3,-1.7 4,-2.1 -4,-0.4 -1,-0.2 0.902 103.3 45.6 -66.3 -42.9 11.7 14.1 39.7 73 157 A K H X S+ 0 0 86 -4,-0.6 4,-3.0 -3,-0.3 -2,-0.2 0.910 109.9 54.8 -63.2 -42.6 8.2 15.6 40.2 74 158 A S H X S+ 0 0 50 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.887 108.9 48.4 -56.7 -40.4 9.8 18.6 42.1 75 159 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.914 110.1 50.3 -67.4 -43.8 12.0 19.1 39.0 76 160 A I H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.933 111.0 50.1 -59.3 -44.8 9.1 18.9 36.6 77 161 A D H X S+ 0 0 68 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.858 109.3 51.1 -59.9 -38.5 7.3 21.5 38.8 78 162 A A H X S+ 0 0 25 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.884 108.6 51.3 -67.1 -39.6 10.3 23.8 38.8 79 163 A L H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 6,-0.9 0.898 111.2 48.7 -62.7 -41.5 10.4 23.5 34.9 80 164 A I H ><5S+ 0 0 98 -4,-2.3 3,-1.3 4,-0.2 -2,-0.2 0.940 111.1 49.0 -60.9 -50.8 6.7 24.5 34.8 81 165 A A H 3<5S+ 0 0 89 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.845 110.3 52.1 -59.3 -35.6 7.2 27.5 37.2 82 166 A A T 3<5S- 0 0 39 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.529 113.9-116.5 -77.7 -9.3 10.2 28.7 35.1 83 167 A G T < 5S+ 0 0 67 -3,-1.3 -3,-0.2 -4,-0.4 3,-0.1 0.638 88.5 106.9 81.7 16.8 8.2 28.6 31.8 84 168 A L >>< + 0 0 26 -5,-2.3 3,-1.5 -6,-0.2 4,-0.5 0.502 40.2 95.8-104.2 -8.6 10.4 25.9 30.3 85 169 A R G >4 S+ 0 0 34 -6,-0.9 3,-0.8 1,-0.3 -5,-0.1 0.836 86.5 48.5 -62.0 -36.0 8.3 22.7 30.5 86 170 A D G 34 S+ 0 0 169 1,-0.2 -1,-0.3 -7,-0.2 -2,-0.1 0.597 104.3 62.3 -79.4 -9.8 7.0 23.0 26.9 87 171 A R G <4 S+ 0 0 71 -3,-1.5 2,-0.3 1,-0.0 -1,-0.2 0.554 106.0 46.2 -88.7 -11.2 10.6 23.5 25.5 88 172 A V << - 0 0 5 -3,-0.8 2,-0.4 -4,-0.5 -30,-0.2 -0.955 69.5-134.2-133.8 152.0 11.9 20.2 26.7 89 173 A K E -c 58 0A 84 -32,-2.1 -30,-2.8 -2,-0.3 2,-0.5 -0.887 28.7-144.7 -97.3 135.6 10.9 16.5 26.7 90 174 A V E -c 59 0A 0 -2,-0.4 18,-2.1 -32,-0.2 19,-1.3 -0.912 17.5-176.4-108.9 124.4 11.5 14.9 30.2 91 175 A I E -cd 60 109A 12 -32,-2.6 -30,-2.2 -2,-0.5 2,-0.3 -0.910 4.6-163.8-118.3 146.1 12.7 11.3 30.5 92 176 A V E +cd 61 110A 6 17,-1.9 19,-1.2 -2,-0.3 2,-0.3 -0.946 14.2 158.3-128.6 148.5 13.1 9.3 33.7 93 177 A G E +c 62 0A 14 -32,-1.9 -30,-1.8 -2,-0.3 2,-0.2 -0.955 11.1 118.7-157.2 179.3 15.0 6.1 34.6 94 178 A G S > S- 0 0 23 17,-0.4 3,-1.6 -2,-0.3 -30,-0.2 -0.452 72.5 -76.1 130.5 151.7 16.6 4.0 37.3 95 179 A A T 3 S+ 0 0 89 1,-0.3 -31,-0.1 -2,-0.2 -1,-0.1 0.837 130.2 44.4 -45.1 -46.4 16.0 0.6 38.8 96 180 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 -32,-0.1 0.583 95.7 103.5 -80.6 -7.7 12.9 1.7 40.8 97 181 A L < + 0 0 8 -3,-1.6 2,-0.3 -34,-0.3 -3,-0.1 -0.284 44.0 171.6 -71.9 159.5 11.4 3.7 37.9 98 182 A S > - 0 0 45 1,-0.1 4,-2.5 -5,-0.1 5,-0.1 -0.965 47.3-104.9-156.9 164.6 8.5 2.6 35.7 99 183 A Q H > S+ 0 0 86 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.884 120.0 57.6 -62.2 -39.9 6.2 3.9 33.0 100 184 A D H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 109.3 43.9 -58.1 -43.3 3.4 4.2 35.5 101 185 A F H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 6,-0.2 0.917 110.6 54.5 -67.1 -42.9 5.5 6.4 37.7 102 186 A A H X>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 4,-0.7 0.922 111.9 45.7 -55.6 -44.7 6.7 8.5 34.7 103 187 A D H ><5S+ 0 0 96 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.904 108.4 56.8 -62.3 -43.3 3.0 9.0 33.8 104 188 A E H 3<5S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.875 112.4 39.4 -57.8 -42.2 2.1 9.9 37.4 105 189 A I H 3<5S- 0 0 10 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.466 116.9-107.7 -91.1 -5.3 4.6 12.7 37.7 106 190 A G T <<5 + 0 0 38 -3,-0.7 -3,-0.2 -4,-0.7 -16,-0.1 0.746 62.0 155.3 85.1 27.0 4.0 14.1 34.1 107 191 A A < - 0 0 11 -5,-2.5 -1,-0.2 -6,-0.2 -16,-0.2 -0.430 46.4-132.0 -78.1 160.7 7.2 13.0 32.4 108 192 A D S S- 0 0 66 -18,-2.1 2,-0.3 1,-0.2 -17,-0.2 0.652 78.1 -0.9 -87.4 -17.8 7.3 12.4 28.6 109 193 A G E -d 91 0A 2 -19,-1.3 -17,-1.9 -7,-0.1 2,-0.3 -0.996 47.5-155.3-168.1 163.0 9.0 9.1 28.8 110 194 A Y E -d 92 0A 55 -2,-0.3 -17,-0.2 -19,-0.2 -11,-0.1 -0.981 10.5-169.1-140.8 144.1 10.6 6.2 30.7 111 195 A A - 0 0 11 -19,-1.2 -17,-0.4 -2,-0.3 -14,-0.1 -0.998 18.7-146.3-135.7 137.3 13.2 3.6 29.5 112 196 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -18,-0.1 0.685 79.5 5.2 -74.1 -19.8 14.3 0.4 31.4 113 197 A D S > S- 0 0 91 1,-0.1 4,-2.1 -20,-0.0 5,-0.1 -0.927 82.8 -89.4-155.5 176.5 17.9 0.5 30.3 114 198 A A H > S+ 0 0 10 -2,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.910 119.7 50.2 -63.4 -45.5 20.6 2.5 28.3 115 199 A A H > S+ 0 0 58 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.944 115.1 43.3 -59.0 -48.9 19.9 0.9 24.9 116 200 A S H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.819 107.7 61.0 -67.9 -31.3 16.1 1.6 25.2 117 201 A A H X S+ 0 0 7 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.883 102.1 53.0 -60.9 -38.3 16.8 5.1 26.5 118 202 A T H X S+ 0 0 23 -4,-1.8 4,-2.1 -3,-0.3 -2,-0.2 0.940 110.4 46.0 -64.4 -44.8 18.6 5.9 23.3 119 203 A E H X S+ 0 0 98 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.916 111.4 53.1 -61.9 -42.1 15.6 4.8 21.2 120 204 A L H X S+ 0 0 22 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.907 108.3 49.6 -60.8 -42.6 13.3 6.8 23.5 121 205 A C H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.895 110.0 50.9 -64.5 -40.4 15.3 9.9 23.0 122 206 A R H >< S+ 0 0 142 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.909 111.9 47.6 -62.1 -42.5 15.3 9.5 19.2 123 207 A Q H 3< S+ 0 0 129 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.861 105.7 58.1 -65.7 -38.2 11.5 9.1 19.3 124 208 A L H 3< 0 0 27 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.655 360.0 360.0 -71.4 -16.1 11.0 12.1 21.5 125 209 A L << 0 0 96 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.358 360.0 360.0 -95.3 360.0 12.7 14.3 19.0