==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 12-DEC-06 2O84 . COMPND 2 MOLECULE: SEROTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.M.BAKER,D.NURIZZO,A.B.MASON,E.N.BAKER . 329 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 11.6 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 . 1 0.3 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 . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 1 0 2 1 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 3 X D 0 0 181 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.1 26.5 29.7 60.6 2 4 X K + 0 0 65 30,-0.2 32,-2.4 2,-0.1 2,-0.5 -0.307 360.0 134.8-108.4 47.1 30.2 29.9 59.8 3 5 X T E -a 34 0A 25 30,-0.2 2,-0.6 32,-0.1 32,-0.2 -0.868 40.9-159.2-106.6 125.7 29.9 32.6 57.1 4 6 X V E -a 35 0A 0 30,-2.6 32,-2.8 -2,-0.5 2,-0.9 -0.883 14.5-144.6 -93.1 121.0 32.1 35.6 56.8 5 7 X R E -a 36 0A 56 -2,-0.6 51,-2.7 30,-0.2 52,-1.7 -0.800 20.6-154.2 -85.3 110.5 30.5 38.4 54.7 6 8 X W E -ab 37 57A 0 30,-3.0 32,-2.3 -2,-0.9 2,-0.6 -0.676 8.1-133.3 -84.8 139.1 33.4 39.9 52.8 7 9 X a E -a 38 0A 0 50,-2.9 2,-0.4 -2,-0.3 52,-0.3 -0.831 24.1-173.7 -95.5 122.5 33.3 43.5 51.6 8 10 X A E -a 39 0A 0 30,-2.3 32,-2.5 -2,-0.6 2,-0.8 -0.946 19.4-136.3-120.1 130.0 34.3 44.0 48.0 9 11 X V E > -a 40 0A 13 -2,-0.4 4,-0.6 30,-0.2 170,-0.4 -0.776 62.2 -33.6 -95.2 108.9 34.7 47.4 46.5 10 12 X S H > S- 0 0 7 30,-2.7 4,-1.9 -2,-0.8 5,-0.1 0.073 93.4 -44.3 74.4 178.2 33.2 47.6 42.9 11 13 X E H > S+ 0 0 99 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.760 127.8 45.9 -48.1 -47.2 32.8 45.1 40.0 12 14 X H H >> S+ 0 0 62 2,-0.2 4,-2.0 -3,-0.2 3,-0.6 0.957 113.1 45.4 -75.2 -51.5 36.3 43.6 39.9 13 15 X E H 3X S+ 0 0 23 -4,-0.6 4,-2.5 1,-0.2 -2,-0.2 0.892 110.8 58.9 -53.8 -39.7 36.8 42.8 43.6 14 16 X A H 3X S+ 0 0 23 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.852 105.2 48.6 -58.4 -37.8 33.3 41.5 43.5 15 17 X T H - 0 0 65 0, 0.0 3,-0.5 0, 0.0 -2,-0.1 -0.202 38.6-102.1 -70.7 168.6 34.8 20.4 54.6 30 32 X S T 3 S+ 0 0 138 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.835 123.5 39.3 -53.0 -38.4 31.1 20.3 55.3 31 33 X D T 3 S+ 0 0 115 2,-0.0 -1,-0.2 0, 0.0 -29,-0.0 0.590 96.3 104.3 -91.5 -15.6 31.7 22.1 58.6 32 34 X G S < S- 0 0 6 -3,-0.5 -30,-0.2 1,-0.2 2,-0.2 0.133 79.2 -63.0 -67.9-178.8 34.4 24.6 57.6 33 35 X P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.429 43.8-164.0 -72.0 132.1 34.2 28.4 56.9 34 36 X S E -a 3 0A 55 -32,-2.4 -30,-2.6 -2,-0.2 2,-0.4 -0.757 6.6-148.5-105.2 159.2 32.2 29.9 54.1 35 37 X V E -a 4 0A 3 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.968 7.2-162.3-127.9 142.6 32.5 33.4 52.7 36 38 X A E -a 5 0A 20 -32,-2.8 -30,-3.0 -2,-0.4 2,-0.5 -0.876 17.8-124.8-119.4 157.0 29.7 35.6 51.2 37 39 X b E -a 6 0A 42 -2,-0.3 2,-0.5 -32,-0.2 -30,-0.2 -0.921 20.0-176.3-116.7 127.1 30.1 38.6 49.0 38 40 X V E -a 7 0A 36 -32,-2.3 -30,-2.3 -2,-0.5 2,-0.4 -0.970 19.6-144.3-117.0 114.4 28.7 42.1 49.6 39 41 X K E +a 8 0A 123 -2,-0.5 2,-0.3 -32,-0.2 -30,-0.2 -0.660 23.5 174.4 -83.5 128.0 29.4 44.7 46.8 40 42 X K E -a 9 0A 54 -32,-2.5 -30,-2.7 -2,-0.4 -26,-0.1 -0.940 36.4-130.9-129.3 156.6 30.0 48.3 47.8 41 43 X A S S+ 0 0 68 -2,-0.3 2,-0.3 -32,-0.2 136,-0.2 0.658 86.6 5.7 -78.5 -17.7 31.0 51.5 45.9 42 44 X S S > S- 0 0 13 -34,-0.1 4,-1.0 1,-0.1 3,-0.4 -0.976 73.3-103.8-160.5 165.9 33.8 52.4 48.2 43 45 X Y H > S+ 0 0 32 134,-0.4 4,-2.0 -2,-0.3 5,-0.1 0.780 118.4 60.9 -67.7 -27.8 35.9 51.5 51.3 44 46 X L H > S+ 0 0 95 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.837 102.1 50.0 -65.7 -37.7 33.9 54.0 53.3 45 47 X D H > S+ 0 0 41 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.777 109.0 53.0 -72.4 -27.6 30.7 52.1 52.6 46 48 X a H X S+ 0 0 0 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.898 107.5 50.6 -72.7 -43.2 32.4 48.9 53.7 47 49 X I H X S+ 0 0 7 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.896 112.8 46.6 -59.1 -42.2 33.4 50.5 56.9 48 50 X R H X S+ 0 0 132 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.891 111.3 52.0 -68.0 -39.6 29.8 51.7 57.5 49 51 X A H <>S+ 0 0 2 -4,-1.9 5,-3.0 2,-0.2 6,-0.9 0.813 107.9 50.9 -66.3 -33.0 28.4 48.2 56.6 50 52 X I H ><5S+ 0 0 0 -4,-1.9 3,-1.6 4,-0.2 5,-0.2 0.940 110.7 47.9 -74.6 -45.5 30.6 46.4 59.1 51 53 X A H 3<5S+ 0 0 38 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.848 112.2 51.9 -57.5 -35.1 29.7 48.7 62.0 52 54 X A T 3<5S- 0 0 54 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.239 115.7-114.2 -91.3 14.6 26.0 48.2 61.0 53 55 X N T < 5S+ 0 0 102 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.716 87.8 114.4 64.0 24.1 26.3 44.4 61.0 54 56 X E S > - 0 0 3 -2,-0.4 4,-2.0 186,-0.2 3,-0.6 -0.245 45.9-106.5 -50.9 145.7 45.4 50.4 53.9 62 64 X A H 3> S+ 0 0 0 183,-0.5 4,-1.7 1,-0.3 -1,-0.1 0.856 122.3 53.2 -50.4 -41.6 47.2 51.1 57.2 63 65 X G H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.908 109.2 47.6 -58.6 -44.4 46.0 54.8 57.0 64 66 X L H <> S+ 0 0 10 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.736 103.4 63.3 -72.9 -22.5 42.4 53.7 56.5 65 67 X V H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.947 105.7 45.9 -59.4 -49.0 42.8 51.3 59.5 66 68 X Y H >X S+ 0 0 19 -4,-1.7 3,-2.0 1,-0.2 4,-0.8 0.976 111.9 50.8 -56.0 -56.5 43.4 54.4 61.6 67 69 X D H >< S+ 0 0 50 -4,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.883 107.6 54.2 -49.4 -43.3 40.4 56.2 60.1 68 70 X A H 3< S+ 0 0 1 -4,-2.4 7,-2.5 1,-0.2 -1,-0.3 0.558 98.5 61.9 -73.2 -9.3 38.1 53.2 60.7 69 71 X Y H << S+ 0 0 54 -3,-2.0 -1,-0.2 -4,-0.6 -2,-0.2 0.709 85.5 96.2 -88.2 -19.4 38.9 53.0 64.4 70 72 X L S XX S- 0 0 65 -3,-1.0 4,-1.8 -4,-0.8 3,-1.1 -0.213 81.9 -45.6 -65.5 158.0 37.5 56.5 65.0 71 73 X A T 34 S+ 0 0 79 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.273 113.5 18.8 -69.4 155.9 33.8 56.9 66.1 72 74 X P T 34 S+ 0 0 114 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.917 129.1 43.5 -93.3 17.2 31.0 55.8 65.6 73 75 X N T <4 - 0 0 52 -3,-1.1 -2,-0.2 2,-0.1 -4,-0.1 0.934 67.3-175.4 -89.2 -51.8 32.5 52.8 63.9 74 76 X N < - 0 0 84 -4,-1.8 -5,-0.3 1,-0.2 179,-0.2 0.824 13.9-175.1 56.8 41.8 35.4 51.6 66.1 75 77 X L - 0 0 1 -7,-2.5 234,-0.3 -5,-0.3 177,-0.2 -0.465 12.3-143.9 -71.0 137.3 36.6 48.8 63.8 76 78 X K E -D 251 0B 48 175,-2.4 175,-2.1 -2,-0.2 2,-0.2 -0.789 17.3-109.8-107.4 144.7 39.4 46.7 65.2 77 79 X P E +D 250 0B 6 0, 0.0 173,-0.2 0, 0.0 230,-0.2 -0.550 41.2 166.3 -78.9 138.8 42.3 45.2 63.2 78 80 X V E + 0 0 13 171,-2.9 225,-2.0 1,-0.4 2,-0.4 0.781 55.9 19.7-126.5 -45.1 42.1 41.5 63.0 79 81 X V E -DE 249 302B 1 170,-0.8 170,-2.8 223,-0.2 -1,-0.4 -0.998 66.8-148.3-136.5 130.4 44.4 39.8 60.4 80 82 X A E -DE 248 301B 4 221,-3.3 221,-2.7 -2,-0.4 168,-0.2 -0.786 11.6-128.3-102.2 142.0 47.6 41.4 58.9 81 83 X E E - E 0 300B 1 166,-2.1 2,-0.3 -2,-0.4 219,-0.2 -0.497 22.4-155.1 -72.9 150.6 49.1 40.9 55.5 82 84 X F E - E 0 299B 10 217,-2.2 216,-3.5 -2,-0.2 217,-1.0 -0.980 8.4-166.2-128.0 153.1 52.8 40.0 55.2 83 85 X Y E +FE 90 297B 5 7,-2.6 7,-1.6 -2,-0.3 2,-1.3 -0.672 54.3 45.8-124.7 174.9 55.2 40.6 52.3 84 86 X G S S- 0 0 55 212,-0.6 2,-0.3 -2,-0.2 -1,-0.0 -0.490 111.9 -35.2 96.0 -64.9 58.7 39.6 51.1 85 87 X S - 0 0 36 -2,-1.3 213,-0.1 3,-0.2 5,-0.1 -0.877 53.6-105.4 177.8 160.9 58.5 35.8 51.5 86 88 X K S S+ 0 0 74 -2,-0.3 -2,-0.0 1,-0.2 -3,-0.0 0.620 115.2 60.3 -74.9 -15.0 56.9 33.2 54.0 87 89 X E S S+ 0 0 163 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.963 122.9 15.2 -77.6 -61.7 60.4 32.6 55.4 88 90 X D S S- 0 0 106 2,-0.0 -1,-0.3 -5,-0.0 -3,-0.2 -0.843 89.5-165.8-110.2 88.8 61.2 36.1 56.7 89 91 X P - 0 0 44 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.466 3.5-152.5 -71.3 149.5 57.7 37.7 56.6 90 92 X Q B -F 83 0B 51 -7,-1.6 -7,-2.6 -2,-0.1 -5,-0.0 -0.985 15.2-164.1-126.4 137.6 57.5 41.5 56.8 91 93 X T S S+ 0 0 64 -2,-0.4 155,-2.1 -9,-0.2 2,-0.3 0.087 75.4 58.4-108.1 20.0 54.5 43.5 58.2 92 94 X F E -G 245 0C 50 153,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.851 63.0-162.7-134.5 168.5 55.7 46.8 56.7 93 95 X Y E -G 244 0C 1 151,-1.9 151,-2.6 -2,-0.3 2,-0.5 -0.959 26.5 -95.9-148.8 171.7 56.5 48.1 53.2 94 96 X Y E -G 243 0C 20 -2,-0.3 111,-1.3 149,-0.2 2,-0.6 -0.773 20.0-144.6 -99.2 123.6 58.3 51.0 51.6 95 97 X A E -GH 242 204C 0 147,-2.8 146,-2.6 -2,-0.5 147,-0.8 -0.740 31.1-178.9 -75.8 119.9 56.6 54.2 50.4 96 98 X V E - H 0 203C 1 107,-3.1 107,-1.6 -2,-0.6 2,-0.6 -0.869 29.3-137.3-121.0 156.3 58.5 55.2 47.3 97 99 X A E - H 0 202C 0 127,-0.4 127,-2.2 -2,-0.3 2,-0.4 -0.928 26.9-161.5-113.3 102.8 58.1 58.2 44.9 98 100 X V E +IH 223 201C 1 103,-3.0 103,-3.2 -2,-0.6 2,-0.3 -0.717 16.1 166.9 -91.5 133.9 58.4 56.8 41.4 99 101 X V E -IH 222 200C 0 123,-3.2 123,-2.6 -2,-0.4 2,-0.4 -0.835 39.0 -90.9-135.5 171.6 59.2 59.2 38.5 100 102 X K E > -I 221 0C 66 99,-0.6 3,-1.5 -2,-0.3 121,-0.3 -0.754 49.5-102.4 -90.3 133.0 60.3 59.0 34.8 101 103 X K T 3 S+ 0 0 83 119,-2.7 -1,-0.1 -2,-0.4 119,-0.0 -0.167 104.0 17.9 -48.6 139.1 64.1 59.0 34.1 102 104 X D T 3 S+ 0 0 134 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.558 79.7 128.8 73.1 12.6 65.4 62.4 32.8 103 105 X S < - 0 0 41 -3,-1.5 2,-1.2 1,-0.2 -2,-0.1 0.675 62.0-141.8 -70.0 -16.8 62.4 64.4 34.1 104 106 X G + 0 0 56 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 -0.636 58.6 100.0 100.0 -77.8 64.9 66.7 35.8 105 107 X F - 0 0 9 -2,-1.2 2,-0.2 4,-0.1 -1,-0.2 0.271 47.9-159.8 -43.3 161.5 63.3 67.7 39.2 106 108 X Q > - 0 0 38 -3,-0.1 3,-0.6 118,-0.1 -1,-0.1 -0.548 44.2 -76.2-125.2-165.0 63.9 66.3 42.7 107 109 X M G > S+ 0 0 22 118,-0.4 3,-1.2 1,-0.3 4,-0.1 0.848 129.3 48.1 -73.3 -40.7 61.8 66.4 45.9 108 110 X N G 3 S+ 0 0 89 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.451 113.0 55.2 -79.1 2.4 62.3 70.0 46.9 109 111 X Q G < S+ 0 0 114 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 -0.105 74.5 105.6-119.6 31.8 61.5 70.7 43.3 110 112 X L X + 0 0 0 -3,-1.2 3,-1.6 -5,-0.1 -2,-0.1 0.633 48.5 109.6 -83.4 -17.4 58.2 68.9 43.3 111 113 X R T 3 S+ 0 0 143 1,-0.2 41,-0.2 -3,-0.1 3,-0.1 -0.368 80.8 22.8 -60.7 137.5 56.1 72.1 43.3 112 114 X G T 3 S+ 0 0 44 39,-2.4 -1,-0.2 1,-0.3 40,-0.2 0.471 100.9 117.9 86.2 4.7 54.4 72.7 40.0 113 115 X K < - 0 0 58 -3,-1.6 40,-2.5 38,-0.2 2,-0.5 -0.440 69.3-103.2-100.5 170.7 54.4 69.1 39.0 114 116 X K - 0 0 61 38,-0.2 85,-2.8 -2,-0.1 86,-1.6 -0.847 36.4-156.0-100.4 132.2 51.7 66.5 38.3 115 117 X S E -jk 155 200C 0 39,-1.6 41,-1.1 -2,-0.5 2,-0.5 -0.886 12.6-162.0-116.7 133.6 51.0 64.0 41.1 116 118 X c E -jk 156 201C 1 84,-2.7 86,-2.3 -2,-0.4 2,-0.3 -0.967 17.1-174.2-110.4 120.4 49.4 60.5 41.0 117 119 X H E - k 0 202C 0 39,-2.3 3,-0.1 -2,-0.5 9,-0.1 -0.794 32.8-134.7-111.1 153.0 48.2 59.2 44.4 118 120 X T S S- 0 0 1 84,-0.6 67,-2.3 -2,-0.3 2,-0.2 0.888 79.9 -58.2 -68.0 -39.7 46.8 55.7 45.3 119 121 X G > - 0 0 1 3,-0.2 3,-1.9 65,-0.2 -1,-0.3 -0.770 63.4 -63.4 164.1 154.6 44.1 57.6 47.2 120 122 X L T 3 S+ 0 0 32 38,-3.4 6,-0.1 1,-0.2 5,-0.0 -0.216 116.4 12.2 -51.9 130.1 43.1 60.0 49.9 121 123 X G T 3 S+ 0 0 9 1,-0.3 -1,-0.2 2,-0.1 2,-0.2 0.243 92.1 132.1 89.7 -13.3 44.1 58.9 53.4 122 124 X R <>> - 0 0 23 -3,-1.9 4,-2.6 -59,-0.2 5,-1.9 -0.514 60.9-122.1 -78.9 141.0 46.4 56.0 52.3 123 125 X S T 4>S+ 0 0 0 1,-0.2 5,-3.2 -2,-0.2 -1,-0.1 0.874 103.2 21.2 -40.9 -69.5 49.9 55.6 53.8 124 126 X A T 45S+ 0 0 2 1,-0.2 -1,-0.2 3,-0.2 117,-0.1 0.697 127.0 50.3 -83.8 -23.4 52.2 55.6 50.7 125 127 X G T 45S- 0 0 0 -6,-0.1 -2,-0.2 -8,-0.1 -1,-0.2 0.783 134.6 -9.5 -82.5 -28.6 49.9 57.4 48.4 126 128 X W T X5S+ 0 0 9 -4,-2.6 4,-3.1 -9,-0.1 5,-0.4 0.631 123.1 53.6-135.6 -63.4 49.0 60.3 50.7 127 129 X N H > S+ 0 0 2 0, 0.0 4,-0.9 0, 0.0 -2,-0.2 0.868 119.7 44.0 -58.3 -38.7 54.2 62.0 50.8 130 132 X I H < S+ 0 0 0 -4,-3.1 4,-0.3 2,-0.2 -3,-0.2 0.898 110.3 53.1 -78.6 -37.6 52.0 64.8 52.0 131 133 X G H >< S+ 0 0 33 -4,-1.8 3,-0.6 -5,-0.4 4,-0.3 0.868 111.5 47.0 -59.0 -38.6 53.3 64.9 55.6 132 134 X L H 3< S+ 0 0 96 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.775 118.1 41.5 -74.7 -25.7 56.9 65.2 54.3 133 135 X L T >X S+ 0 0 8 -4,-0.9 4,-1.0 -5,-0.2 3,-0.8 0.255 84.3 109.9-104.9 6.9 55.9 67.9 51.8 134 136 X Y T <4 S+ 0 0 30 -3,-0.6 3,-0.5 -4,-0.3 -1,-0.2 0.861 79.6 42.7 -53.9 -46.8 53.6 69.7 54.3 135 137 X d T 34 S+ 0 0 62 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.598 106.9 62.7 -81.9 -10.4 55.8 72.8 54.8 136 138 X D T <4 S+ 0 0 55 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.728 87.0 95.8 -78.5 -24.8 56.5 73.1 51.1 137 139 X L S < S- 0 0 2 -4,-1.0 11,-0.1 -3,-0.5 4,-0.1 -0.254 84.4-102.9 -66.0 151.4 52.8 73.6 50.5 138 140 X P - 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