==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-SEP-00 1FVA . COMPND 2 MOLECULE: PEPTIDE METHIONINE SULFOXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR W.T.LOWTHER,N.BROT,H.WEISSBACH,B.W.MATTHEWS . 401 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 2 0.5 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 . 2 0.5 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 . 25 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 0 1 1 0 2 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 0 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 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 29 A V 0 0 65 0, 0.0 5,-0.1 0, 0.0 81,-0.0 0.000 360.0 360.0 360.0 136.3 43.0 -0.4 -3.3 2 30 A S >> - 0 0 32 1,-0.2 4,-2.6 2,-0.0 3,-1.0 -0.474 360.0-131.0 -67.7 133.1 45.0 2.1 -5.2 3 31 A P T 34 S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 79,-0.0 0.678 115.1 55.9 -59.2 -13.2 43.0 3.7 -8.0 4 32 A Q T 34 S+ 0 0 167 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.784 114.0 36.3 -85.2 -33.6 46.1 2.8 -9.9 5 33 A E T <4 S+ 0 0 140 -3,-1.0 -1,-0.1 2,-0.1 77,-0.1 0.638 92.0 111.6 -95.6 -14.0 45.9 -0.8 -9.0 6 34 A A S < S- 0 0 16 -4,-2.6 77,-0.2 1,-0.1 75,-0.0 -0.305 79.1 -91.9 -63.0 144.2 42.1 -1.1 -9.1 7 35 A L - 0 0 60 75,-1.6 3,-0.1 1,-0.1 -1,-0.1 -0.209 20.4-133.5 -58.8 141.8 40.6 -3.3 -11.9 8 36 A P - 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.611 39.2-176.2 -69.7 -16.2 39.6 -1.7 -15.1 9 37 A G - 0 0 14 61,-0.2 2,-0.3 2,-0.0 63,-0.2 -0.338 22.8-107.4 57.4-112.7 36.3 -3.6 -15.0 10 38 A R - 0 0 89 61,-0.7 -3,-0.0 -2,-0.3 0, 0.0 -0.965 13.7 -98.2 170.9-179.5 34.3 -2.9 -18.1 11 39 A K S S+ 0 0 163 -2,-0.3 61,-0.1 2,-0.1 -1,-0.1 0.581 88.3 100.5 -98.6 -15.9 31.3 -1.2 -19.7 12 40 A E - 0 0 124 59,-0.1 2,-0.1 -3,-0.1 -1,-0.0 -0.623 62.6-154.8 -81.9 99.7 29.1 -4.3 -19.5 13 41 A P - 0 0 80 0, 0.0 -2,-0.1 0, 0.0 61,-0.1 -0.403 22.7-105.6 -71.4 148.2 26.8 -4.1 -16.5 14 42 A L - 0 0 49 159,-0.3 2,-0.4 59,-0.2 159,-0.2 -0.280 34.0-125.7 -68.3 157.8 25.5 -7.2 -14.9 15 43 A V + 0 0 128 -2,-0.0 161,-0.7 158,-0.0 2,-0.2 -0.927 29.2 177.6-115.7 135.2 21.8 -8.1 -15.6 16 44 A V - 0 0 33 -2,-0.4 2,-0.1 159,-0.1 159,-0.1 -0.797 37.1 -85.6-128.3 170.2 19.1 -8.8 -12.9 17 45 A A - 0 0 46 -2,-0.2 4,-0.1 1,-0.1 -1,-0.1 -0.426 32.4-138.6 -70.1 150.8 15.4 -9.6 -12.7 18 46 A A S S+ 0 0 38 8,-0.1 9,-2.1 9,-0.1 10,-0.6 0.556 78.2 75.4 -92.3 -4.7 13.2 -6.5 -12.7 19 47 A K B S-A 26 0A 109 7,-0.2 7,-0.2 8,-0.2 2,-0.1 -0.922 84.6-115.0-114.7 137.4 10.8 -7.6 -10.1 20 48 A H > - 0 0 6 5,-3.6 4,-1.9 -2,-0.5 -2,-0.1 -0.342 20.2-137.8 -62.0 130.7 11.5 -7.7 -6.3 21 49 A H T 4 S+ 0 0 92 1,-0.2 -1,-0.1 2,-0.2 159,-0.0 0.773 97.8 32.1 -62.5 -28.5 11.5 -11.2 -5.0 22 50 A V T 4 S+ 0 0 69 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.857 133.9 18.6 -98.7 -46.8 9.5 -10.3 -1.9 23 51 A N T 4 S- 0 0 54 2,-0.1 -2,-0.2 36,-0.0 3,-0.1 0.453 88.7-127.4-110.2 -0.8 7.2 -7.5 -2.8 24 52 A G < + 0 0 35 -4,-1.9 -3,-0.1 1,-0.2 3,-0.1 0.481 61.5 135.4 69.9 5.5 7.0 -7.6 -6.6 25 53 A N - 0 0 50 34,-0.2 -5,-3.6 1,-0.1 -1,-0.2 -0.328 66.9 -76.1 -78.7 171.8 7.9 -4.0 -7.1 26 54 A R B -A 19 0A 79 -7,-0.2 -7,-0.2 1,-0.1 -1,-0.1 -0.406 35.3-173.8 -67.0 141.7 10.4 -2.9 -9.7 27 55 A T S S+ 0 0 4 -9,-2.1 2,-0.3 -2,-0.1 -8,-0.2 0.351 71.7 50.7-114.7 -0.5 14.1 -3.4 -8.9 28 56 A V S S- 0 0 34 -10,-0.6 -10,-0.0 2,-0.2 -2,-0.0 -0.890 95.0 -36.9-134.9 161.4 15.2 -1.6 -12.0 29 57 A E S S+ 0 0 118 -2,-0.3 -2,-0.1 1,-0.1 2,-0.1 -0.247 99.9 55.4 -63.1 150.8 14.5 1.8 -13.6 30 58 A P S S- 0 0 86 0, 0.0 -2,-0.2 0, 0.0 -4,-0.1 0.442 70.4-172.0 -87.9 149.9 12.3 3.4 -13.9 31 59 A F - 0 0 19 1,-0.2 3,-0.1 -4,-0.1 4,-0.1 -0.654 39.3 -76.7 -97.6 154.3 11.3 3.8 -10.4 32 60 A P > - 0 0 49 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.004 57.6 -92.9 -49.9 152.8 8.1 5.5 -9.3 33 61 A E T 3 S+ 0 0 200 1,-0.2 3,-0.1 -3,-0.1 0, 0.0 -0.413 107.4 20.7 -69.7 139.5 8.0 9.2 -9.4 34 62 A G T 3 S+ 0 0 43 1,-0.3 -1,-0.2 -2,-0.1 62,-0.2 0.517 90.9 124.9 86.5 -0.4 8.9 11.0 -6.2 35 63 A T < - 0 0 27 -3,-1.4 2,-0.3 59,-0.1 -1,-0.3 -0.576 44.1-151.6 -89.7 160.5 10.8 8.1 -4.7 36 64 A Q E -B 93 0B 78 57,-3.4 57,-3.1 -2,-0.2 2,-0.4 -0.830 4.8-127.3-126.4 173.0 14.3 8.5 -3.5 37 65 A M E -B 92 0B 32 -2,-0.3 97,-0.5 55,-0.2 2,-0.4 -0.926 14.9-173.9-126.0 145.8 17.3 6.3 -3.0 38 66 A A E -B 91 0B 0 53,-2.1 53,-2.9 -2,-0.4 2,-0.5 -0.970 9.8-155.1-133.1 144.3 19.7 5.5 -0.3 39 67 A V E -B 90 0B 10 -2,-0.4 93,-2.4 93,-0.3 2,-0.4 -0.985 14.5-178.9-127.1 121.2 22.8 3.4 -0.4 40 68 A F E -BC 89 131B 0 49,-2.6 49,-2.6 -2,-0.5 2,-0.6 -0.971 19.5-155.5-124.7 135.8 24.2 1.7 2.7 41 69 A G E + C 0 130B 0 89,-3.2 89,-1.8 -2,-0.4 47,-0.2 -0.917 28.0 155.6-101.3 116.7 27.3 -0.4 3.2 42 70 A M E - C 0 129B 4 1,-0.6 2,-0.3 -2,-0.6 87,-0.2 0.158 60.5 -97.4-129.8 23.1 26.7 -2.7 6.2 43 71 A G S S+ 0 0 1 85,-0.6 -1,-0.6 44,-0.5 85,-0.1 -0.769 102.0 31.7 96.0-140.2 29.0 -5.5 5.5 44 72 A C S > S- 0 0 15 -2,-0.3 4,-1.1 75,-0.2 3,-0.2 -0.268 74.2-146.9 -52.1 122.0 27.5 -8.7 3.9 45 73 A F H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.663 83.1 74.8 -70.4 -16.4 24.6 -7.3 1.7 46 74 A W H > S+ 0 0 41 1,-0.2 4,-1.4 2,-0.2 136,-0.2 0.972 104.8 30.8 -63.2 -60.1 22.4 -10.3 2.2 47 75 A G H > S+ 0 0 1 143,-1.1 4,-1.6 142,-0.3 -1,-0.2 0.870 117.1 59.2 -71.2 -26.9 21.2 -9.7 5.7 48 76 A A H X S+ 0 0 1 -4,-1.1 4,-0.6 142,-0.3 -1,-0.2 0.945 103.7 53.1 -61.5 -42.5 21.5 -5.9 5.3 49 77 A E H >X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 3,-1.5 0.897 105.6 52.7 -57.1 -45.6 19.0 -6.1 2.4 50 78 A R H 3X S+ 0 0 76 -4,-1.4 4,-0.9 1,-0.3 -1,-0.2 0.843 96.6 67.7 -62.6 -32.9 16.4 -7.9 4.4 51 79 A K H 3< S+ 0 0 49 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.797 111.5 32.7 -60.8 -22.2 16.6 -5.4 7.1 52 80 A F H X< S+ 0 0 0 -3,-1.5 3,-1.8 -4,-0.6 -1,-0.2 0.741 99.6 71.8-106.8 -27.7 15.0 -2.9 4.7 53 81 A W H 3< S+ 0 0 26 -4,-1.9 -2,-0.1 1,-0.3 -3,-0.1 0.799 96.2 57.6 -63.2 -16.8 12.7 -4.7 2.5 54 82 A T T 3< S+ 0 0 97 -4,-0.9 -1,-0.3 2,-0.1 2,-0.3 0.618 84.2 107.9 -86.1 -10.0 10.4 -5.1 5.3 55 83 A L S X S- 0 0 43 -3,-1.8 3,-1.9 1,-0.1 2,-0.1 -0.479 73.0-118.4 -75.5 135.1 10.0 -1.4 6.1 56 84 A K T 3 S+ 0 0 192 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.427 103.2 33.3 -67.1 137.4 6.9 0.5 5.3 57 85 A G T 3 S+ 0 0 11 1,-0.3 37,-2.9 -2,-0.1 2,-0.8 0.249 87.6 119.6 99.5 -13.6 7.7 3.3 2.9 58 86 A V E < -D 93 0B 11 -3,-1.9 -1,-0.3 35,-0.2 35,-0.3 -0.792 42.6-172.2 -90.7 111.2 10.3 1.2 1.2 59 87 A Y E - 0 0 35 33,-2.2 2,-0.3 -2,-0.8 -34,-0.2 0.934 64.3 -35.7 -67.3 -46.9 9.3 0.7 -2.4 60 88 A S E -D 92 0B 0 32,-1.8 32,-3.0 -3,-0.1 2,-0.3 -0.984 52.0-136.1-165.4 172.3 12.0 -1.8 -3.1 61 89 A T E -D 91 0B 0 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.955 12.9-177.6-137.6 154.7 15.6 -2.8 -2.5 62 90 A Q E -D 90 0B 0 28,-2.0 28,-3.0 -2,-0.3 2,-0.3 -0.911 16.8-139.0-140.2 163.7 18.6 -4.0 -4.5 63 91 A V E +D 89 0B 0 -2,-0.3 111,-2.3 26,-0.2 2,-0.3 -0.917 42.1 107.2-124.0 154.3 22.1 -5.2 -3.6 64 92 A G E -DE 88 173B 0 24,-2.8 24,-2.3 -2,-0.3 2,-0.4 -0.894 54.9 -47.5 176.7-146.3 25.4 -4.4 -5.3 65 93 A F E +DE 87 172B 0 107,-4.5 107,-3.1 -2,-0.3 2,-0.3 -0.969 43.6 147.8-134.1 138.7 28.6 -2.4 -5.4 66 94 A A E +D 86 0B 1 20,-1.9 20,-3.1 -2,-0.4 105,-0.1 -0.970 47.5 48.5-155.9 166.7 29.7 1.1 -4.8 67 95 A G S S+ 0 0 4 -2,-0.3 2,-0.1 103,-0.3 -1,-0.1 0.640 89.3 98.2 75.8 21.2 32.5 3.3 -3.6 68 96 A G S S- 0 0 15 102,-0.3 16,-0.3 18,-0.1 -1,-0.3 -0.344 75.1-119.1-117.9-159.1 35.1 1.5 -5.5 69 97 A Y S S+ 0 0 111 14,-6.0 15,-0.2 -2,-0.1 14,-0.1 0.817 75.2 94.4-113.8 -45.3 36.9 2.1 -8.8 70 98 A T S S- 0 0 0 13,-1.5 -61,-0.2 1,-0.1 -2,-0.1 -0.323 71.9-128.3 -58.5 109.0 36.2 -0.8 -11.1 71 99 A P S S- 0 0 43 0, 0.0 -61,-0.7 0, 0.0 -59,-0.1 -0.224 81.3 -7.2 -61.1 142.5 33.2 -0.2 -13.4 72 100 A N S S- 0 0 31 -63,-0.2 -61,-0.1 1,-0.1 -2,-0.1 0.717 93.7-167.3 38.1 39.4 30.4 -2.8 -13.7 73 101 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 -59,-0.2 0.022 16.1-122.1 -53.1 153.2 32.5 -5.1 -11.5 74 102 A T > - 0 0 35 1,-0.1 4,-2.3 100,-0.1 5,-0.2 -0.564 27.0-110.3 -93.0 159.0 31.8 -8.8 -11.0 75 103 A Y H > S+ 0 0 57 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.889 120.5 55.5 -56.0 -36.9 31.2 -10.3 -7.7 76 104 A K H > S+ 0 0 165 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.996 105.3 48.8 -55.0 -68.8 34.5 -12.0 -8.1 77 105 A E H >4>S+ 0 0 27 1,-0.2 3,-0.9 2,-0.2 5,-0.5 0.876 114.9 46.6 -37.4 -53.9 36.4 -8.8 -8.8 78 106 A V H ><5S+ 0 0 1 -4,-2.3 3,-0.6 1,-0.2 5,-0.3 0.917 106.4 55.2 -56.1 -55.6 34.9 -7.2 -5.7 79 107 A C H 3<5S+ 0 0 36 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.508 108.1 55.9 -59.9 -10.8 35.4 -10.0 -3.2 80 108 A S T <<5S- 0 0 75 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.1 -0.460 107.8-119.9-165.2 86.1 39.0 -10.0 -4.1 81 109 A G T < 5S+ 0 0 19 -3,-0.6 3,-0.3 -2,-0.1 -3,-0.1 -0.843 80.1 92.4-173.7 5.7 39.6 -7.2 -3.5 82 110 A K < + 0 0 117 -5,-0.5 -75,-1.6 1,-0.2 -4,-0.1 -0.021 69.2 84.2-100.2 24.0 41.0 -4.6 -5.8 83 111 A T S S- 0 0 1 -5,-0.3 -14,-6.0 -6,-0.3 -13,-1.5 0.744 85.4-136.2 -93.7 -31.5 37.9 -3.0 -7.1 84 112 A G + 0 0 6 -16,-0.3 -2,-0.1 1,-0.3 -18,-0.0 0.161 59.5 125.7 94.3 -13.7 37.6 -0.6 -4.2 85 113 A H - 0 0 3 -15,-0.1 -1,-0.3 -20,-0.1 2,-0.3 -0.265 50.0-140.8 -76.1 167.9 33.9 -1.1 -3.8 86 114 A A E - D 0 66B 0 -20,-3.1 -20,-1.9 -3,-0.1 2,-0.5 -0.850 31.0-101.4-118.6 152.8 31.9 -2.1 -0.7 87 115 A E E + D 0 65B 1 39,-2.9 -44,-0.5 -2,-0.3 -45,-0.5 -0.687 54.2 178.4 -77.0 126.4 28.9 -4.3 -0.7 88 116 A V E - D 0 64B 1 -24,-2.3 -24,-2.8 -2,-0.5 2,-0.4 -0.888 30.4-137.6-132.1 163.8 25.9 -2.2 -0.5 89 117 A V E -BD 40 63B 0 -49,-2.6 -49,-2.6 -2,-0.3 2,-0.5 -0.944 17.8-147.6-117.3 138.8 22.2 -2.2 -0.4 90 118 A R E -BD 39 62B 30 -28,-3.0 -28,-2.0 -2,-0.4 2,-0.5 -0.936 10.9-160.5-108.8 127.7 20.1 0.3 -2.4 91 119 A V E -BD 38 61B 0 -53,-2.9 -53,-2.1 -2,-0.5 2,-0.6 -0.960 6.1-162.8-114.2 122.9 16.8 1.4 -0.9 92 120 A V E +BD 37 60B 0 -32,-3.0 -33,-2.2 -2,-0.5 -32,-1.8 -0.934 29.2 169.3-104.3 112.1 14.1 3.0 -3.0 93 121 A F E -BD 36 58B 0 -57,-3.1 -57,-3.4 -2,-0.6 -35,-0.2 -0.894 43.3-118.3-132.5 161.7 11.7 4.7 -0.7 94 122 A Q >> - 0 0 47 -37,-2.9 4,-2.1 -2,-0.3 3,-1.8 -0.819 21.5-154.7 -97.9 95.9 8.8 7.1 -0.6 95 123 A P T 34 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 -60,-0.1 0.757 94.2 63.7 -43.9 -25.5 10.0 10.0 1.4 96 124 A E T 34 S+ 0 0 127 -62,-0.2 3,-0.1 1,-0.2 -61,-0.0 0.959 112.4 32.2 -63.0 -50.6 6.4 10.6 2.3 97 125 A H T <4 S+ 0 0 116 -3,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.739 132.2 17.8 -81.0 -29.1 6.2 7.3 4.1 98 126 A I S < S- 0 0 13 -4,-2.1 2,-0.2 -41,-0.3 -1,-0.2 -0.989 72.4-133.7-149.7 138.3 9.7 7.0 5.5 99 127 A S > - 0 0 29 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.588 23.3-120.0 -91.6 158.2 12.5 9.5 6.0 100 128 A F H > S+ 0 0 8 1,-0.3 4,-2.2 -2,-0.2 3,-0.2 0.891 117.6 56.3 -58.7 -38.5 16.1 9.3 5.1 101 129 A E H > S+ 0 0 113 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.920 103.0 51.9 -62.2 -43.1 16.7 9.7 8.8 102 130 A E H > S+ 0 0 99 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.835 108.8 51.4 -64.7 -27.2 14.5 6.8 9.7 103 131 A L H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.845 105.6 57.6 -69.9 -36.6 16.5 4.8 7.2 104 132 A L H X S+ 0 0 2 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.875 102.4 53.4 -60.6 -40.3 19.7 6.1 9.0 105 133 A K H X S+ 0 0 102 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.907 109.3 48.1 -63.6 -42.4 18.5 4.7 12.3 106 134 A V H X S+ 0 0 25 -4,-1.3 4,-1.5 -5,-0.2 -2,-0.2 0.991 112.3 50.1 -62.4 -52.3 18.0 1.3 10.8 107 135 A F H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 4,-0.3 0.943 112.7 43.8 -47.2 -62.2 21.4 1.5 9.2 108 136 A W H >< S+ 0 0 0 -4,-3.1 3,-0.6 1,-0.3 87,-0.4 0.861 116.4 48.6 -54.8 -37.3 23.4 2.5 12.4 109 137 A E H 3< S+ 0 0 35 -4,-2.0 85,-0.7 -5,-0.3 87,-0.4 0.685 103.8 60.5 -78.5 -19.5 21.5 -0.0 14.5 110 138 A N T << S+ 0 0 51 -4,-1.5 2,-0.3 -3,-1.1 83,-0.3 0.286 109.5 20.2-101.0 17.3 21.9 -3.0 12.2 111 139 A H S < S- 0 0 1 -3,-0.6 84,-0.5 -4,-0.3 83,-0.3 -0.949 84.8 -94.9-167.7 162.1 25.6 -3.4 12.0 112 140 A D > - 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0 0 14 -3,-0.9 -85,-0.5 -43,-0.2 2,-0.2 -0.226 66.3-100.2 -68.6 155.1 -4.5 54.6 25.1 331 157 B S E +J 244 0E 2 -13,-0.5 35,-3.0 -11,-0.2 2,-0.3 -0.517 53.8 162.2 -74.6 141.0 -6.0 52.4 27.8 332 158 B A E -Jm 243 366E 0 -89,-2.3 -89,-2.6 33,-0.3 2,-0.4 -0.998 34.3-164.5-160.2 158.0 -4.4 49.0 28.2 333 159 B I E -Jm 242 367E 0 33,-2.4 35,-1.2 -2,-0.3 -91,-0.2 -0.972 9.9-169.4-141.1 124.0 -3.8 45.9 30.2 334 160 B Y - 0 0 5 -93,-2.4 -93,-0.2 -2,-0.4 35,-0.2 -0.815 17.9-152.8-119.5 88.5 -1.1 43.5 29.3 335 161 B P - 0 0 8 0, 0.0 35,-0.5 0, 0.0 36,-0.3 -0.281 13.1-164.5 -62.4 143.6 -1.6 40.4 31.4 336 162 B T + 0 0 73 -97,-0.4 2,-0.3 33,-0.1 -96,-0.1 0.514 69.7 41.0-103.9 -11.9 1.4 38.3 32.2 337 163 B S S > S- 0 0 35 1,-0.1 4,-2.2 32,-0.0 5,-0.2 -0.947 79.6-116.0-137.1 159.9 -0.4 35.1 33.4 338 164 B A H > S+ 0 0 89 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.905 117.6 50.6 -60.4 -39.7 -3.4 33.0 32.4 339 165 B E H > S+ 0 0 171 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 108.0 51.8 -67.1 -35.8 -5.1 33.8 35.6 340 166 B H H > S+ 0 0 12 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.921 107.7 54.4 -65.2 -37.9 -4.5 37.6 35.2 341 167 B V H X S+ 0 0 28 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.956 108.5 46.5 -59.8 -50.7 -6.0 37.3 31.7 342 168 B G H X S+ 0 0 40 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.938 114.2 49.5 -56.1 -44.5 -9.1 35.8 33.0 343 169 B A H X S+ 0 0 10 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.889 111.9 47.4 -61.2 -44.9 -9.2 38.4 35.7 344 170 B A H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.931 110.6 51.0 -62.1 -50.6 -8.7 41.3 33.3 345 171 B L H X S+ 0 0 85 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.921 111.7 47.7 -58.5 -42.2 -11.3 40.1 30.9 346 172 B K H X S+ 0 0 116 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.953 110.8 50.0 -65.2 -44.4 -13.9 39.7 33.6 347 173 B S H X S+ 0 0 13 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.837 108.0 56.1 -62.9 -30.7 -13.3 43.1 35.1 348 174 B K H X S+ 0 0 64 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.971 108.6 44.8 -64.7 -49.3 -13.6 44.6 31.7 349 175 B E H X S+ 0 0 152 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.946 116.4 48.1 -58.4 -44.1 -17.0 43.1 31.2 350 176 B D H X S+ 0 0 70 -4,-2.9 4,-1.5 1,-0.2 3,-0.3 0.921 111.7 47.1 -66.2 -45.3 -17.9 44.2 34.7 351 177 B Y H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 5,-0.3 0.921 106.4 59.2 -66.2 -35.6 -16.7 47.7 34.4 352 178 B Q H X S+ 0 0 35 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.864 101.5 57.2 -57.3 -35.2 -18.3 48.2 31.0 353 179 B K H X S+ 0 0 131 -4,-1.3 4,-2.7 -3,-0.3 -1,-0.2 0.953 110.1 40.0 -62.5 -53.8 -21.7 47.5 32.6 354 180 B V H X S+ 0 0 30 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.857 114.4 53.2 -71.0 -27.3 -21.5 50.2 35.1 355 181 B L H ><>S+ 0 0 0 -4,-2.3 5,-3.6 2,-0.2 3,-0.6 0.938 111.7 46.6 -68.3 -42.9 -20.0 52.7 32.7 356 182 B S H ><5S+ 0 0 65 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.913 110.6 53.4 -60.3 -42.5 -22.8 51.9 30.4 357 183 B E H 3<5S+ 0 0 112 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.691 107.3 52.7 -65.4 -20.8 -25.1 52.3 33.2 358 184 B H T <<5S- 0 0 122 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.402 125.6 -97.7 -98.7 5.4 -23.7 55.6 33.9 359 185 B G T < 5S+ 0 0 67 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.534 82.0 130.1 96.3 2.8 -24.1 56.9 30.6 360 186 B F < - 0 0 68 -5,-3.6 -1,-0.3 -6,-0.2 3,-0.1 -0.397 49.1-125.5 -86.4 170.8 -20.6 56.2 29.3 361 187 B G - 0 0 43 1,-0.2 2,-0.2 -2,-0.1 -1,-0.2 0.009 46.7 -36.3 -94.9-154.2 -19.7 54.5 26.1 362 188 B L - 0 0 133 -46,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.392 58.3-112.0 -73.2 134.6 -17.7 51.5 25.1 363 189 B I - 0 0 5 -2,-0.2 -47,-0.3 1,-0.1 -1,-0.1 -0.511 24.5-169.0 -70.6 131.5 -14.4 50.6 26.7 364 190 B T + 0 0 54 -49,-3.4 -48,-0.2 -2,-0.3 -1,-0.1 0.416 33.9 141.8 -99.2 -4.0 -11.5 51.1 24.3 365 191 B T - 0 0 9 -50,-0.9 2,-0.7 1,-0.1 -33,-0.3 -0.088 48.7-133.4 -46.7 137.9 -8.9 49.4 26.4 366 192 B D E -m 332 0E 29 -35,-3.0 -33,-2.4 -123,-0.1 2,-0.6 -0.797 25.1-176.0 -92.1 111.8 -6.3 47.2 24.5 367 193 B I E +m 333 0E 31 -2,-0.7 2,-0.3 -35,-0.2 -33,-0.2 -0.929 19.1 142.8-116.8 112.4 -5.9 43.9 26.3 368 194 B R - 0 0 87 -35,-1.2 3,-0.2 -2,-0.6 2,-0.2 -0.972 35.9-136.9-144.3 155.9 -3.2 41.6 24.8 369 195 B E S S+ 0 0 98 -2,-0.3 -33,-0.1 -35,-0.2 -35,-0.0 -0.581 77.1 47.7-107.4 172.1 -0.7 39.1 26.1 370 196 B G S S+ 0 0 74 -35,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.708 72.3 150.0 72.3 21.9 2.9 38.6 25.2 371 197 B Q - 0 0 58 -36,-0.3 2,-0.4 -3,-0.2 -1,-0.2 -0.727 40.8-135.8 -91.8 135.0 3.8 42.2 25.4 372 198 B T - 0 0 82 -2,-0.4 2,-0.6 -102,-0.2 -103,-0.3 -0.724 12.7-136.4 -89.9 137.0 7.3 43.2 26.3 373 199 B F - 0 0 25 -2,-0.4 2,-0.5 -105,-0.1 -105,-0.2 -0.837 18.1-168.6 -95.3 119.6 7.8 46.0 28.8 374 200 B Y E -L 267 0E 50 -107,-3.1 -107,-3.5 -2,-0.6 2,-0.0 -0.915 24.6-119.1-108.1 131.7 10.5 48.6 27.9 375 201 B Y E -L 266 0E 44 -2,-0.5 -109,-0.3 -109,-0.3 -159,-0.2 -0.325 19.7-130.7 -67.5 149.2 11.6 51.0 30.5 376 202 B A - 0 0 0 -111,-2.5 -111,-0.1 1,-0.2 5,-0.1 -0.549 49.1 -66.6 -90.3 166.6 11.2 54.8 30.0 377 203 B E >> - 0 0 50 -2,-0.2 3,-1.0 1,-0.1 4,-0.8 -0.003 46.1-111.5 -48.2 156.0 14.1 57.1 30.8 378 204 B D G >4 S+ 0 0 59 -161,-0.6 3,-1.5 1,-0.3 -1,-0.1 0.906 118.3 67.2 -55.9 -38.6 15.3 57.4 34.4 379 205 B Y G 34 S+ 0 0 147 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.866 101.4 48.1 -44.9 -44.8 14.0 60.9 34.2 380 206 B H G X4 S+ 0 0 7 -3,-1.0 3,-1.4 -115,-0.1 -1,-0.3 0.669 84.9 108.0 -75.4 -21.5 10.5 59.5 33.9 381 207 B Q T << S- 0 0 5 -3,-1.5 5,-0.1 -4,-0.8 -117,-0.1 -0.442 100.6 -11.0 -65.9 129.4 10.7 57.0 36.8 382 208 B Q T >> S+ 0 0 3 -2,-0.3 4,-2.0 1,-0.1 3,-1.6 0.908 82.4 173.3 50.5 41.2 8.7 58.0 39.8 383 209 B Y H <> S+ 0 0 35 -3,-1.4 4,-2.5 1,-0.3 7,-0.1 0.893 71.0 47.9 -45.0 -51.5 8.2 61.3 38.2 384 210 B L H 34 S+ 0 0 2 -136,-0.3 -1,-0.3 2,-0.2 6,-0.2 0.590 105.9 56.6 -75.4 -6.9 5.7 62.5 40.8 385 211 B S H <4 S+ 0 0 33 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.858 111.5 45.1 -85.5 -36.0 7.8 61.5 43.7 386 212 B K H < S+ 0 0 79 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.909 130.4 23.6 -68.9 -44.1 10.5 63.6 42.3 387 213 B D S >< S- 0 0 68 -4,-2.5 3,-2.8 -5,-0.2 -1,-0.3 -0.779 71.8-174.1-129.2 84.7 8.2 66.5 41.6 388 214 B P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.725 84.1 49.6 -50.2 -31.3 5.3 66.2 43.9 389 215 B D T 3 S+ 0 0 151 -3,-0.1 3,-0.1 -4,-0.1 -5,-0.1 0.246 90.7 124.9 -95.6 13.1 3.4 69.0 42.4 390 216 B G S < S- 0 0 13 -3,-2.8 2,-0.2 1,-0.2 -6,-0.1 -0.068 73.2 -62.8 -71.2 175.7 3.8 67.7 38.9 391 217 B Y + 0 0 85 1,-0.1 -1,-0.2 -143,-0.0 -142,-0.2 -0.366 50.4 168.0 -59.2 121.4 1.4 66.9 36.1 392 218 B C - 0 0 60 1,-0.3 3,-0.4 -2,-0.2 -1,-0.1 0.156 36.0-131.6-124.9 17.4 -0.9 64.1 37.1 393 219 B G - 0 0 25 1,-0.2 -1,-0.3 -144,-0.0 -71,-0.1 -0.128 38.8 -62.8 66.2-163.8 -3.6 64.2 34.5 394 220 B L - 0 0 123 1,-0.2 -1,-0.2 -73,-0.1 -81,-0.1 0.409 61.8-139.8-108.6 -1.3 -7.3 64.2 35.0 395 221 B G - 0 0 33 -3,-0.4 -81,-0.4 -83,-0.2 -1,-0.2 -0.214 37.3 -38.4 76.2-170.5 -8.1 60.9 36.7 396 222 B G - 0 0 33 -85,-0.4 -82,-0.2 -83,-0.2 -84,-0.2 0.092 57.0 -92.5 -85.7-166.7 -11.1 58.6 36.2 397 223 B T - 0 0 29 -84,-0.5 3,-0.1 -87,-0.3 -85,-0.1 0.543 52.7-113.8 -85.5 -17.2 -14.8 58.8 35.4 398 224 B G S S+ 0 0 76 -87,-0.5 2,-0.6 1,-0.4 -87,-0.1 0.336 77.2 129.0 95.3 -10.3 -16.1 58.7 39.0 399 225 B V - 0 0 7 -89,-0.1 -1,-0.4 -88,-0.1 -2,-0.2 -0.721 58.9-127.7 -83.9 121.7 -17.7 55.4 38.2 400 226 B S - 0 0 81 -2,-0.6 -46,-0.1 -3,-0.1 -1,-0.1 -0.348 15.6-133.0 -67.8 141.5 -16.8 52.8 40.9 401 227 B C 0 0 8 1,-0.2 -50,-0.1 -94,-0.1 -90,-0.1 -0.848 360.0 360.0-103.3 126.7 -15.4 49.5 39.9 402 228 B P 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -95,-0.1 0.756 360.0 360.0 -71.4 360.0 -16.7 46.3 41.4