==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 21-JUL-09 3IDV . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE A4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.KOZLOV,K.GEHRING . 235 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 11.9 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 . 3 1.3 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 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 2 1 0 0 0 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 54 A D 0 0 165 0, 0.0 2,-0.1 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 39.3 3.2 -33.4 7.7 2 55 A D - 0 0 98 1,-0.1 16,-0.2 2,-0.1 13,-0.1 -0.440 360.0-136.0 -71.7 143.4 5.3 -36.6 8.0 3 56 A L S S+ 0 0 124 -2,-0.1 -1,-0.1 14,-0.1 2,-0.1 0.863 80.1 91.1 -66.7 -35.3 4.9 -38.7 11.2 4 57 A E S S- 0 0 129 1,-0.1 2,-0.8 10,-0.0 14,-0.1 -0.371 72.9-139.9 -66.8 135.8 8.6 -39.2 11.5 5 58 A V - 0 0 44 -2,-0.1 2,-0.2 13,-0.1 9,-0.1 -0.856 29.2-166.0 -91.5 107.5 10.6 -36.7 13.6 6 59 A K E -A 13 0A 95 -2,-0.8 7,-2.6 7,-0.6 2,-0.4 -0.529 12.3-134.6 -90.3 162.1 13.8 -36.2 11.5 7 60 A E E -A 12 0A 98 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.978 14.6-169.4-118.5 132.1 17.0 -34.6 12.8 8 61 A E E > S-A 11 0A 76 3,-3.3 3,-1.6 -2,-0.4 -2,-0.0 -0.935 76.3 -28.0-121.6 105.2 18.9 -32.0 10.7 9 62 A N T 3 S- 0 0 113 -2,-0.5 44,-0.2 1,-0.3 43,-0.1 0.856 128.0 -44.4 55.6 40.8 22.3 -31.2 12.1 10 63 A G T 3 S+ 0 0 7 1,-0.2 2,-0.5 42,-0.1 54,-0.3 0.239 118.4 112.1 93.4 -15.0 21.3 -31.9 15.6 11 64 A V E < -A 8 0A 2 -3,-1.6 -3,-3.3 52,-0.1 -1,-0.2 -0.820 63.5-133.2-103.3 128.9 17.9 -30.1 15.3 12 65 A L E -Ab 7 65A 29 52,-2.6 54,-2.6 -2,-0.5 2,-0.6 -0.444 14.4-136.7 -75.3 148.4 14.7 -32.0 15.4 13 66 A V E -Ab 6 66A 21 -7,-2.6 -7,-0.6 52,-0.2 2,-0.3 -0.921 25.1-176.4-110.6 114.0 12.1 -31.2 12.7 14 67 A L E + b 0 67A 2 52,-2.4 54,-0.5 -2,-0.6 2,-0.3 -0.766 5.3 170.5-110.7 153.7 8.5 -30.9 14.1 15 68 A N >> - 0 0 25 -2,-0.3 4,-1.7 52,-0.1 3,-0.6 -0.855 52.4 -77.1-150.1 179.5 5.4 -30.4 12.1 16 69 A D T 34 S+ 0 0 53 -2,-0.3 4,-0.3 1,-0.2 56,-0.1 0.820 126.3 48.5 -57.1 -31.7 1.5 -30.4 12.6 17 70 A A T 34 S+ 0 0 44 1,-0.2 -1,-0.2 -15,-0.1 4,-0.2 0.784 121.7 26.8 -81.9 -31.3 1.5 -34.2 12.4 18 71 A N T <> S+ 0 0 0 -3,-0.6 4,-2.1 -16,-0.2 5,-0.2 0.456 92.9 93.0-113.1 -5.2 4.3 -35.2 14.9 19 72 A F H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.955 90.2 42.0 -59.5 -54.7 4.4 -32.2 17.4 20 73 A D H > S+ 0 0 93 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.895 113.7 53.3 -61.0 -42.0 2.1 -33.5 20.1 21 74 A N H 4 S+ 0 0 116 -4,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.924 114.3 43.2 -54.6 -46.1 3.5 -37.1 19.9 22 75 A F H < S+ 0 0 38 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.938 119.9 35.9 -72.3 -47.1 7.0 -35.7 20.4 23 76 A V H >< S+ 0 0 13 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.645 88.9 92.4 -84.3 -15.2 6.5 -33.1 23.2 24 77 A A T 3< S+ 0 0 89 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.813 97.9 32.1 -57.4 -32.1 3.8 -34.8 25.3 25 78 A D T 3 S+ 0 0 122 -3,-0.5 2,-0.5 -4,-0.4 -1,-0.3 0.191 97.4 103.9-109.1 19.1 6.3 -36.5 27.6 26 79 A K < - 0 0 60 -3,-2.1 67,-0.4 1,-0.2 66,-0.2 -0.871 53.6-159.7-102.4 129.7 9.0 -33.8 27.6 27 80 A D S S+ 0 0 107 -2,-0.5 65,-3.2 1,-0.2 2,-0.4 0.916 83.2 15.5 -69.6 -42.3 9.5 -31.5 30.5 28 81 A T E +C 91 0A 12 63,-0.2 2,-0.4 64,-0.1 -1,-0.2 -0.997 65.5 173.7-136.4 131.0 11.3 -28.8 28.5 29 82 A V E -C 90 0A 0 61,-2.1 61,-3.1 -2,-0.4 2,-0.5 -0.996 22.9-141.2-132.9 135.3 11.6 -28.3 24.7 30 83 A L E -Cd 89 64A 1 33,-2.5 35,-2.6 -2,-0.4 2,-0.4 -0.840 25.0-164.9 -92.1 133.9 13.2 -25.4 22.8 31 84 A L E -Cd 88 65A 0 57,-3.2 57,-2.4 -2,-0.5 2,-0.4 -0.951 15.4-169.7-124.9 137.6 11.3 -24.4 19.7 32 85 A E E -Cd 87 66A 8 33,-1.9 35,-2.8 -2,-0.4 2,-0.5 -0.991 7.9-159.7-120.2 124.8 12.1 -22.3 16.7 33 86 A F E +Cd 86 67A 0 53,-3.2 53,-1.9 -2,-0.4 2,-0.3 -0.895 27.0 163.5-100.1 122.9 9.4 -21.2 14.2 34 87 A Y E - d 0 68A 49 33,-2.7 35,-2.2 -2,-0.5 36,-0.6 -0.842 33.6-132.9-131.8 173.1 10.9 -20.2 10.8 35 88 A A > - 0 0 1 -2,-0.3 3,-1.8 33,-0.2 6,-0.2 -0.985 20.3-131.9-127.9 140.5 10.0 -19.6 7.2 36 89 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.797 108.6 52.2 -58.9 -33.1 12.1 -21.0 4.3 37 90 A W T 3 S+ 0 0 177 -3,-0.0 2,-0.7 4,-0.0 -3,-0.0 0.290 84.3 106.3 -89.7 7.4 12.1 -17.6 2.6 38 91 A C <> - 0 0 16 -3,-1.8 4,-1.7 1,-0.1 3,-0.4 -0.807 51.7-163.2 -95.8 112.6 13.4 -15.7 5.7 39 92 A G H > S+ 0 0 51 -2,-0.7 4,-2.2 1,-0.2 -1,-0.1 0.790 90.8 56.2 -56.1 -34.6 17.1 -14.5 5.4 40 93 A H H > S+ 0 0 136 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.840 105.2 52.4 -74.0 -31.5 17.3 -13.9 9.2 41 94 A C H > S+ 0 0 7 -3,-0.4 4,-1.1 2,-0.2 -2,-0.2 0.907 109.1 50.3 -61.8 -45.8 16.3 -17.5 9.9 42 95 A K H < S+ 0 0 148 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.908 110.0 49.6 -61.2 -45.1 19.0 -18.8 7.5 43 96 A Q H < S+ 0 0 167 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.808 113.3 47.0 -60.3 -33.6 21.7 -16.6 9.2 44 97 A F H >X S+ 0 0 10 -4,-1.3 4,-2.5 1,-0.2 3,-0.5 0.677 88.6 89.7 -80.6 -18.6 20.6 -18.0 12.6 45 98 A A H 3X S+ 0 0 33 -4,-1.1 4,-2.0 -3,-0.4 -1,-0.2 0.844 86.2 47.3 -56.9 -42.7 20.5 -21.6 11.5 46 99 A P H 3> S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.866 112.8 50.2 -65.6 -35.5 24.2 -22.4 12.4 47 100 A E H <> S+ 0 0 57 -3,-0.5 4,-2.4 -4,-0.4 -2,-0.2 0.880 109.5 50.7 -66.4 -40.9 23.8 -20.8 15.8 48 101 A Y H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.909 108.3 53.8 -64.6 -36.8 20.6 -22.8 16.5 49 102 A E H X S+ 0 0 51 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.903 107.9 49.5 -63.1 -40.6 22.5 -25.9 15.5 50 103 A K H X S+ 0 0 110 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.922 109.7 51.8 -64.3 -42.2 25.3 -25.1 18.1 51 104 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.917 107.8 51.9 -56.8 -45.1 22.6 -24.5 20.7 52 105 A A H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.917 110.1 49.3 -60.7 -41.4 21.1 -28.0 20.0 53 106 A N H X S+ 0 0 74 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.874 111.1 48.3 -70.4 -32.7 24.5 -29.6 20.4 54 107 A I H >< S+ 0 0 44 -4,-2.1 3,-0.6 1,-0.2 4,-0.2 0.930 114.2 45.8 -66.7 -46.6 25.2 -27.8 23.8 55 108 A L H >< S+ 0 0 0 -4,-2.5 7,-2.0 1,-0.2 3,-0.5 0.711 106.2 59.9 -73.9 -23.1 21.8 -28.8 25.2 56 109 A K H 3< S+ 0 0 97 -4,-1.7 -1,-0.2 5,-0.2 -2,-0.2 0.734 104.1 53.1 -68.7 -26.2 22.1 -32.4 23.9 57 110 A D T << S+ 0 0 133 -4,-0.7 2,-0.2 -3,-0.6 -1,-0.2 0.409 87.9 92.9 -99.1 3.7 25.2 -32.8 26.0 58 111 A K S < S- 0 0 40 -3,-0.5 4,-0.0 -4,-0.2 -3,-0.0 -0.614 90.4 -82.6 -88.6 161.6 23.9 -31.7 29.4 59 112 A D S S+ 0 0 161 -2,-0.2 -2,-0.1 1,-0.2 -3,-0.0 -0.920 121.1 19.5-110.6 114.6 22.5 -34.2 31.9 60 113 A P S S- 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.686 104.6-121.4 -82.9 159.0 19.6 -34.8 31.2 61 114 A P - 0 0 86 0, 0.0 -5,-0.2 0, 0.0 -2,-0.1 -0.209 14.8-144.7 -64.7 150.6 19.5 -33.6 27.5 62 115 A I - 0 0 11 -7,-2.0 -33,-0.1 -10,-0.2 2,-0.1 -0.982 21.2-126.8-114.7 123.0 17.0 -30.9 26.4 63 116 A P - 0 0 26 0, 0.0 -33,-2.5 0, 0.0 2,-0.4 -0.407 18.0-156.3 -71.3 146.4 15.6 -31.4 22.8 64 117 A V E - d 0 30A 4 -54,-0.3 -52,-2.6 -35,-0.2 2,-0.3 -0.994 17.4-179.4-128.3 127.6 15.8 -28.6 20.4 65 118 A A E -bd 12 31A 0 -35,-2.6 -33,-1.9 -2,-0.4 2,-0.4 -0.902 19.4-151.2-134.2 151.2 13.4 -28.3 17.5 66 119 A K E -bd 13 32A 31 -54,-2.6 -52,-2.4 -2,-0.3 2,-0.4 -0.942 9.4-163.4-121.8 148.0 12.5 -26.3 14.4 67 120 A I E -bd 14 33A 0 -35,-2.8 -33,-2.7 -2,-0.4 2,-1.2 -0.998 20.3-136.0-131.2 127.2 9.1 -25.8 12.8 68 121 A D E >> - d 0 34A 31 -54,-0.5 4,-2.3 -2,-0.4 3,-1.4 -0.711 20.0-166.1 -82.2 100.7 8.4 -24.4 9.3 69 122 A A T 34 S+ 0 0 6 -35,-2.2 7,-0.2 -2,-1.2 -1,-0.2 0.715 80.6 65.0 -64.5 -19.7 5.6 -22.2 10.2 70 123 A T T 34 S+ 0 0 60 -36,-0.6 -1,-0.3 1,-0.2 3,-0.2 0.734 116.1 27.1 -77.4 -25.3 4.6 -21.8 6.5 71 124 A S T <4 S+ 0 0 80 -3,-1.4 2,-0.8 1,-0.2 3,-0.2 0.629 114.6 63.5-107.3 -20.0 3.7 -25.4 6.2 72 125 A A X + 0 0 2 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 -0.550 61.8 157.6 -99.5 63.6 2.8 -26.1 9.8 73 126 A S H > + 0 0 76 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.854 69.0 56.6 -59.9 -39.2 -0.2 -23.7 9.8 74 127 A V H > S+ 0 0 88 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.936 111.5 41.9 -56.9 -50.8 -1.9 -25.4 12.8 75 128 A L H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.913 111.7 53.3 -61.7 -45.7 1.1 -25.0 15.0 76 129 A A H <>S+ 0 0 12 -4,-2.4 5,-2.5 -7,-0.2 4,-0.4 0.931 112.4 47.7 -58.4 -40.2 1.8 -21.4 13.9 77 130 A S H ><5S+ 0 0 56 -4,-2.4 3,-0.9 3,-0.2 -2,-0.2 0.927 109.6 51.8 -58.8 -50.2 -1.8 -20.7 14.8 78 131 A R H 3<5S+ 0 0 68 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.813 118.4 36.9 -54.7 -38.4 -1.5 -22.5 18.2 79 132 A F T 3<5S- 0 0 17 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.322 108.5-122.2-102.6 3.6 1.6 -20.4 19.2 80 133 A D T < 5 + 0 0 72 -3,-0.9 2,-0.6 -4,-0.4 -3,-0.2 0.967 44.4 179.0 50.1 60.9 0.3 -17.2 17.5 81 134 A V < + 0 0 17 -5,-2.5 -1,-0.2 1,-0.1 3,-0.1 -0.873 21.5 150.0 -96.8 121.6 3.4 -17.0 15.3 82 135 A S + 0 0 109 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.559 61.8 38.9-121.3 -23.4 3.4 -14.0 12.9 83 136 A G S S- 0 0 33 -50,-0.0 -1,-0.2 -49,-0.0 -50,-0.1 -0.907 84.5 -83.2-136.8 161.3 7.2 -13.2 12.4 84 137 A Y S S+ 0 0 59 -2,-0.3 -50,-0.2 1,-0.2 -44,-0.1 -0.936 96.1 20.8-135.1 146.4 10.4 -15.2 12.1 85 138 A P S S+ 0 0 7 0, 0.0 2,-0.5 0, 0.0 -51,-0.2 0.640 74.2 176.2 -72.8 143.6 12.4 -16.5 13.7 86 139 A T E -C 33 0A 32 -53,-1.9 -53,-3.2 -2,-0.1 2,-0.4 -0.988 12.5-158.7-110.6 127.4 10.1 -16.8 16.7 87 140 A I E +C 32 0A 9 11,-0.5 11,-1.5 -2,-0.5 2,-0.3 -0.903 14.9 171.8-108.3 135.6 11.7 -18.8 19.7 88 141 A K E -CE 31 97A 19 -57,-2.4 -57,-3.2 -2,-0.4 2,-0.5 -0.966 23.9-143.8-137.1 149.8 9.6 -20.4 22.4 89 142 A I E -CE 30 96A 1 7,-2.4 7,-2.5 -2,-0.3 2,-0.7 -0.981 14.0-149.5-113.3 128.4 10.4 -22.7 25.3 90 143 A L E -CE 29 95A 3 -61,-3.1 -61,-2.1 -2,-0.5 2,-0.5 -0.898 15.4-174.6 -98.5 116.4 7.8 -25.3 26.1 91 144 A K E > S-CE 28 94A 15 3,-2.6 3,-2.1 -2,-0.7 -63,-0.2 -0.962 73.5 -24.1-114.6 117.1 7.8 -26.2 29.9 92 145 A K T 3 S- 0 0 148 -65,-3.2 -1,-0.2 -2,-0.5 -65,-0.1 0.890 129.1 -49.5 44.9 47.7 5.5 -29.0 30.9 93 146 A G T 3 S+ 0 0 48 -67,-0.4 2,-0.4 -66,-0.2 -1,-0.3 0.368 115.3 110.0 79.6 -2.5 3.4 -28.3 27.8 94 147 A Q E < -E 91 0A 101 -3,-2.1 -3,-2.6 2,-0.0 2,-0.2 -0.909 67.0-119.8-109.9 142.0 3.0 -24.5 28.2 95 148 A A E -E 90 0A 40 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.486 20.7-165.6 -79.4 131.5 4.6 -22.0 25.9 96 149 A V E -E 89 0A 25 -7,-2.5 -7,-2.4 -2,-0.2 2,-0.1 -0.992 23.7-125.3-114.7 128.8 7.0 -19.4 27.4 97 150 A D E -E 88 0A 97 -2,-0.5 2,-0.6 -9,-0.2 -9,-0.2 -0.425 15.4-153.0 -71.7 137.8 7.8 -16.5 25.1 98 151 A Y + 0 0 22 -11,-1.5 -11,-0.5 -2,-0.1 -1,-0.0 -0.966 24.2 163.7-112.3 116.9 11.5 -15.8 24.4 99 152 A E + 0 0 166 -2,-0.6 -1,-0.1 -13,-0.1 -11,-0.0 0.378 43.9 99.2-113.5 5.6 12.1 -12.1 23.6 100 153 A G S S- 0 0 31 1,-0.2 -2,-0.1 6,-0.1 7,-0.0 0.119 80.1 -54.0 -86.5-165.4 15.9 -12.0 24.1 101 154 A S - 0 0 46 1,-0.1 2,-1.3 2,-0.0 -1,-0.2 -0.283 43.4-118.3 -74.5 158.2 18.9 -12.2 21.8 102 155 A R S S+ 0 0 119 4,-0.1 2,-0.4 5,-0.1 -1,-0.1 -0.487 72.4 122.6 -90.4 59.6 19.6 -14.9 19.2 103 156 A T > - 0 0 47 -2,-1.3 4,-2.4 1,-0.1 5,-0.3 -0.937 69.8-127.1-122.4 145.9 22.8 -16.0 20.9 104 157 A Q H > S+ 0 0 70 -2,-0.4 4,-2.7 1,-0.2 5,-0.4 0.940 108.6 53.3 -47.8 -53.4 23.9 -19.3 22.2 105 158 A E H > S+ 0 0 162 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.903 114.6 38.4 -58.8 -43.9 24.9 -17.8 25.6 106 159 A E H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 118.8 46.4 -73.8 -42.7 21.5 -16.1 26.3 107 160 A I H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.924 113.7 48.1 -67.9 -44.5 19.3 -18.8 24.9 108 161 A V H X S+ 0 0 8 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.934 112.3 49.9 -60.1 -47.4 21.2 -21.6 26.6 109 162 A A H X S+ 0 0 62 -4,-1.7 4,-2.2 -5,-0.4 -1,-0.2 0.890 113.2 45.6 -56.6 -40.3 21.1 -19.7 30.0 110 163 A K H X S+ 0 0 82 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.931 111.7 51.7 -75.4 -43.5 17.3 -19.1 29.7 111 164 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.937 110.8 48.2 -54.3 -49.3 16.6 -22.7 28.7 112 165 A R H X S+ 0 0 106 -4,-2.6 4,-0.6 -5,-0.2 -2,-0.2 0.915 111.6 51.2 -59.6 -42.5 18.5 -24.0 31.7 113 166 A E H >< S+ 0 0 93 -4,-2.2 3,-1.3 -5,-0.2 -2,-0.2 0.952 113.5 42.7 -56.2 -53.3 16.7 -21.5 34.0 114 167 A V H 3< S+ 0 0 0 -4,-3.1 5,-0.2 1,-0.3 -2,-0.2 0.854 106.0 63.9 -70.0 -26.8 13.2 -22.6 32.8 115 168 A S H 3< S+ 0 0 32 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.630 76.8 113.3 -65.9 -16.5 14.2 -26.3 32.8 116 169 A Q S X< S- 0 0 90 -3,-1.3 3,-1.6 -4,-0.6 -3,-0.0 -0.313 75.4-127.2 -61.0 143.4 14.7 -26.1 36.6 117 170 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.769 108.4 46.0 -67.7 -24.0 12.1 -28.2 38.5 118 171 A D T 3 S+ 0 0 131 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.290 82.9 120.9 -99.1 7.3 11.0 -25.3 40.7 119 172 A W < - 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0 0 134 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.835 40.9-176.4 55.2 37.9 -24.6 -25.3 27.7 196 249 A V < + 0 0 24 -5,-2.8 -1,-0.2 -6,-0.2 3,-0.1 -0.575 17.6 156.1 -67.5 117.3 -21.1 -24.8 26.3 197 250 A S + 0 0 120 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.161 60.3 10.3-128.9 13.6 -21.3 -26.3 22.8 198 251 A G S S- 0 0 29 -49,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.963 84.2 -57.0 177.5 168.4 -18.5 -24.5 21.0 199 252 A Y S S+ 0 0 50 -2,-0.3 2,-0.1 -3,-0.1 -50,-0.1 -0.906 96.5 21.6-136.2 152.8 -15.5 -22.2 21.4 200 253 A P S S+ 0 0 45 0, 0.0 2,-0.5 0, 0.0 -51,-0.2 0.732 71.7 178.9 -71.0 156.0 -14.6 -19.6 22.4 201 254 A T E -G 148 0B 23 -53,-1.5 -53,-3.3 -2,-0.1 2,-0.4 -0.962 2.2-177.8-125.4 113.6 -17.6 -19.2 24.8 202 255 A L E -G 147 0B 17 -2,-0.5 11,-2.6 11,-0.3 2,-0.4 -0.933 1.2-175.5-114.2 137.3 -17.5 -16.0 26.9 203 256 A K E -GI 146 212B 26 -57,-2.6 -57,-2.8 -2,-0.4 2,-0.4 -0.998 16.9-147.4-131.6 133.3 -20.1 -15.1 29.4 204 257 A I E -GI 145 211B 0 7,-2.7 7,-2.4 -2,-0.4 2,-0.5 -0.829 15.5-154.8 -93.0 138.2 -20.6 -12.0 31.5 205 258 A F E -GI 144 210B 2 -61,-2.9 -61,-1.8 -2,-0.4 2,-0.5 -0.968 9.0-172.4-113.1 128.0 -22.1 -12.6 34.9 206 259 A R E > S-GI 143 209B 60 3,-2.2 3,-1.4 -2,-0.5 -63,-0.2 -0.988 78.5 -19.0-122.7 117.0 -23.9 -9.7 36.6 207 260 A K T 3 S- 0 0 150 -65,-1.6 -65,-0.1 -66,-0.5 -1,-0.1 0.877 130.5 -49.8 47.6 47.8 -24.9 -10.5 40.2 208 261 A G T 3 S+ 0 0 20 -70,-0.6 -1,-0.3 -67,-0.5 -69,-0.1 0.443 113.3 116.1 81.9 1.7 -24.4 -14.2 39.6 209 262 A R E < -I 206 0B 131 -3,-1.4 -3,-2.2 -71,-0.1 2,-0.2 -0.878 60.7-128.3-105.7 134.6 -26.6 -14.4 36.4 210 263 A P E +I 205 0B 62 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.578 25.3 177.6 -85.9 145.9 -25.0 -15.4 33.0 211 264 A Y E -I 204 0B 80 -7,-2.4 -7,-2.7 -2,-0.2 2,-0.1 -0.992 38.4-104.3-140.5 143.0 -25.3 -13.4 29.8 212 265 A D E -I 203 0B 103 -2,-0.3 2,-0.7 -9,-0.2 -9,-0.2 -0.404 34.1-130.0 -65.4 139.9 -23.7 -14.2 26.5 213 266 A Y + 0 0 16 -11,-2.6 -11,-0.3 1,-0.1 -1,-0.1 -0.834 33.6 169.4 -93.7 117.0 -20.7 -11.9 25.9 214 267 A N + 0 0 143 -2,-0.7 -1,-0.1 2,-0.0 3,-0.1 0.040 39.5 113.7-115.1 21.6 -21.1 -10.4 22.4 215 268 A G S S- 0 0 22 1,-0.2 7,-0.1 7,-0.0 -2,-0.0 -0.162 77.1 -70.7 -81.9-177.1 -18.4 -7.8 22.7 216 269 A P - 0 0 59 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 -0.311 30.8-141.2 -74.3 159.0 -15.1 -7.6 20.9 217 270 A R + 0 0 34 -3,-0.1 2,-0.3 4,-0.1 -55,-0.1 0.193 69.2 99.5-108.4 14.3 -12.3 -10.1 21.6 218 271 A E S > S- 0 0 103 1,-0.1 4,-2.3 -56,-0.1 3,-0.4 -0.731 84.6-107.5 -98.4 155.3 -9.3 -7.7 21.4 219 272 A K H >> S+ 0 0 62 -2,-0.3 4,-2.5 1,-0.2 3,-0.6 0.901 115.1 45.5 -47.5 -65.0 -7.7 -6.2 24.5 220 273 A Y H 3> S+ 0 0 175 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.836 115.7 48.3 -49.3 -42.1 -9.0 -2.6 24.2 221 274 A G H 3> S+ 0 0 13 -3,-0.4 4,-2.5 2,-0.2 -1,-0.3 0.824 109.8 49.7 -70.7 -36.4 -12.5 -3.7 23.5 222 275 A I H S+ 0 0 19 -4,-2.6 5,-1.6 -5,-0.2 3,-0.4 0.958 116.1 44.2 -61.0 -51.2 -15.8 -0.7 32.1 228 281 A E H ><5S+ 0 0 83 -4,-3.2 3,-1.3 1,-0.2 -2,-0.2 0.905 114.3 49.6 -60.2 -43.1 -19.0 0.5 30.4 229 282 A Q H 3<5S+ 0 0 86 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.700 100.6 64.5 -71.8 -19.9 -21.0 -2.5 31.6 230 283 A S T 3<5S- 0 0 51 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.547 131.4 -86.4 -78.8 -8.8 -19.9 -2.1 35.2 231 284 A G T < 5S+ 0 0 69 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.546 100.6 110.7 115.1 11.2 -21.6 1.3 35.3 232 285 A A > < + 0 0 28 -5,-1.6 3,-2.0 -6,-0.2 -3,-0.1 -0.569 32.4 160.7-111.7 64.9 -19.0 3.7 33.9 233 286 A A T 3 S+ 0 0 77 -2,-0.4 -1,-0.2 1,-0.3 -5,-0.1 0.763 72.5 53.5 -57.8 -34.2 -20.9 4.5 30.6 234 287 A A T 3 0 0 112 -3,-0.2 -1,-0.3 -6,-0.1 -6,-0.1 0.453 360.0 360.0 -80.5 -2.6 -18.9 7.7 30.0 235 288 A S < 0 0 87 -3,-2.0 -7,-0.1 -11,-0.1 -3,-0.0 -0.426 360.0 360.0-110.2 360.0 -15.6 5.8 30.3