==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 09-SEP-03 1QY8 . COMPND 2 MOLECULE: ENDOPLASMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANIS LUPUS FAMILIARIS; . AUTHOR K.L.SOLDANO,A.JIVAN,C.V.NICCHITTA,D.T.GEWIRTH . 225 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 20.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 30.7 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 0 0 1 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 3 2 0 1 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 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 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 72 A K 0 0 236 0, 0.0 2,-0.3 0, 0.0 160,-0.1 0.000 360.0 360.0 360.0 -36.0 32.7 -14.2 72.0 2 73 A S - 0 0 64 160,-0.1 2,-0.4 158,-0.1 160,-0.2 -0.317 360.0-154.8 -55.9 111.5 29.2 -12.8 71.2 3 74 A E E -A 161 0A 89 158,-2.4 158,-1.9 -2,-0.3 2,-0.4 -0.757 4.1-144.5 -94.9 135.8 29.6 -10.1 68.5 4 75 A K E -A 160 0A 119 -2,-0.4 2,-0.3 156,-0.2 156,-0.2 -0.783 19.0-178.2 -98.6 137.8 27.0 -7.4 68.2 5 76 A F E -A 159 0A 42 154,-3.5 154,-2.6 -2,-0.4 2,-0.3 -0.966 22.4-138.1-133.8 151.7 25.9 -5.9 64.9 6 77 A A - 0 0 81 -2,-0.3 2,-0.1 152,-0.2 152,-0.1 -0.788 37.2-109.0 -98.6 151.6 23.6 -3.2 63.7 7 78 A F - 0 0 13 -2,-0.3 87,-0.2 149,-0.1 86,-0.1 -0.489 38.5 -98.9 -74.6 154.1 21.5 -4.0 60.7 8 79 A Q >> - 0 0 80 85,-2.0 4,-2.2 -2,-0.1 3,-0.7 -0.412 35.0-113.6 -66.9 148.1 22.4 -2.3 57.5 9 80 A A H 3> S+ 0 0 71 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.890 116.8 54.3 -52.7 -46.2 20.0 0.7 56.8 10 81 A E H 3> S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.822 106.7 51.3 -57.5 -36.5 18.5 -1.0 53.8 11 82 A V H <> S+ 0 0 0 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.893 108.5 51.4 -71.6 -40.7 17.6 -4.1 55.8 12 83 A N H X S+ 0 0 63 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.950 113.9 44.0 -59.1 -45.9 15.9 -1.9 58.4 13 84 A R H X S+ 0 0 111 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.901 113.7 51.5 -64.6 -39.1 13.9 -0.2 55.6 14 85 A M H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.887 105.7 54.4 -65.3 -41.3 13.2 -3.6 54.0 15 86 A M H X S+ 0 0 8 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.912 109.5 48.5 -58.8 -44.6 12.0 -5.1 57.3 16 87 A K H X S+ 0 0 142 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.894 110.1 50.3 -64.7 -38.7 9.5 -2.3 57.6 17 88 A L H X S+ 0 0 25 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.914 113.7 46.4 -65.0 -42.8 8.2 -2.7 54.0 18 89 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.935 111.4 50.3 -65.6 -47.0 7.7 -6.4 54.5 19 90 A I H X S+ 0 0 45 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.915 113.8 45.7 -58.6 -43.3 6.0 -6.0 57.9 20 91 A N H < S+ 0 0 108 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.881 110.4 53.2 -70.9 -34.1 3.6 -3.5 56.4 21 92 A S H < S+ 0 0 28 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.908 120.9 31.6 -65.4 -40.1 2.9 -5.5 53.3 22 93 A L H >< S+ 0 0 3 -4,-2.4 3,-2.4 1,-0.2 -1,-0.2 0.315 82.8 114.4-101.6 7.6 2.0 -8.6 55.4 23 94 A Y T 3< S+ 0 0 129 -4,-0.8 3,-0.5 -3,-0.4 -1,-0.2 0.789 84.3 39.5 -50.3 -36.4 0.5 -6.9 58.4 24 95 A K T 3 S+ 0 0 170 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.335 119.8 47.5 -98.3 7.6 -3.0 -8.2 57.8 25 96 A N X + 0 0 87 -3,-2.4 3,-1.9 1,-0.1 -1,-0.2 -0.305 63.9 153.5-140.4 53.1 -1.8 -11.6 56.7 26 97 A K T > + 0 0 64 -3,-0.5 3,-2.7 1,-0.3 4,-0.3 0.810 62.4 74.9 -54.5 -37.2 0.7 -12.5 59.4 27 98 A E T >> S+ 0 0 60 1,-0.3 3,-1.6 2,-0.2 4,-0.7 0.737 77.5 79.3 -48.9 -25.7 0.2 -16.3 58.9 28 99 A I H <> S+ 0 0 14 -3,-1.9 4,-2.3 1,-0.3 -1,-0.3 0.711 71.8 78.8 -58.0 -20.1 2.3 -15.9 55.7 29 100 A F H <> S+ 0 0 0 -3,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.886 93.0 51.4 -57.7 -35.7 5.5 -15.9 57.8 30 101 A L H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.3 -1,-0.2 0.867 106.0 53.0 -69.1 -38.0 5.2 -19.6 58.0 31 102 A R H X S+ 0 0 65 -4,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.918 111.2 47.7 -63.9 -41.7 4.8 -20.0 54.3 32 103 A E H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.893 110.6 49.8 -68.1 -37.8 8.0 -18.0 53.8 33 104 A L H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.874 112.3 48.5 -68.2 -35.5 9.9 -20.0 56.4 34 105 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.941 111.1 50.3 -67.9 -43.1 8.8 -23.2 54.7 35 106 A S H X S+ 0 0 34 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.903 110.8 49.9 -59.6 -42.0 9.8 -21.9 51.3 36 107 A N H X S+ 0 0 44 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.913 110.4 49.7 -62.7 -44.2 13.2 -20.9 52.7 37 108 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.928 110.7 50.5 -59.4 -48.4 13.7 -24.3 54.2 38 109 A S H X S+ 0 0 8 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.921 110.2 48.8 -56.0 -49.4 12.8 -25.9 50.8 39 110 A D H X S+ 0 0 65 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.857 110.5 51.2 -61.0 -38.1 15.2 -23.8 48.9 40 111 A A H X S+ 0 0 16 -4,-2.0 4,-1.9 2,-0.2 41,-1.6 0.854 110.8 48.6 -68.0 -36.9 18.0 -24.6 51.4 41 112 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 39,-0.3 -2,-0.2 0.911 108.9 53.1 -67.8 -42.5 17.2 -28.3 50.9 42 113 A D H X S+ 0 0 62 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.919 108.7 52.2 -59.6 -40.5 17.2 -27.9 47.1 43 114 A K H X S+ 0 0 104 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.916 110.5 43.6 -64.0 -44.0 20.7 -26.3 47.4 44 115 A I H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.864 112.3 56.0 -69.8 -32.0 22.2 -29.1 49.5 45 116 A R H X S+ 0 0 115 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.930 109.4 45.2 -62.9 -43.8 20.6 -31.6 47.2 46 117 A L H >X S+ 0 0 104 -4,-2.4 3,-1.0 1,-0.2 4,-0.6 0.890 110.5 54.1 -67.0 -37.7 22.3 -29.9 44.1 47 118 A I H >X S+ 0 0 61 -4,-2.2 3,-1.3 1,-0.3 4,-1.2 0.860 100.3 61.5 -64.0 -33.2 25.6 -29.8 46.0 48 119 A S H 3< S+ 0 0 39 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.739 92.9 65.1 -66.5 -20.0 25.3 -33.6 46.6 49 120 A L H << S+ 0 0 122 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.808 116.3 27.8 -69.6 -28.1 25.3 -34.1 42.8 50 121 A T H << S+ 0 0 124 -3,-1.3 2,-0.4 -4,-0.6 -2,-0.2 0.415 121.0 54.2-111.7 -2.3 28.9 -32.7 42.8 51 122 A D >< - 0 0 74 -4,-1.2 3,-1.3 1,-0.1 4,-0.2 -0.942 62.8-161.1-138.1 110.1 30.1 -33.7 46.3 52 123 A E T 3 S+ 0 0 101 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.860 94.0 43.3 -57.9 -41.9 29.8 -37.3 47.3 53 124 A N T > S+ 0 0 122 1,-0.2 3,-1.7 2,-0.1 4,-0.3 0.290 78.8 115.5 -90.8 11.0 30.1 -36.7 51.0 54 125 A A T < S+ 0 0 0 -3,-1.3 3,-0.4 1,-0.3 -1,-0.2 0.811 80.8 41.2 -49.3 -39.1 27.8 -33.6 51.0 55 126 A L T > S+ 0 0 28 -3,-0.4 3,-2.8 -4,-0.2 -1,-0.3 0.494 79.7 109.5 -91.5 -2.2 25.1 -35.3 53.2 56 127 A A T < S+ 0 0 69 -3,-1.7 3,-0.4 1,-0.3 -1,-0.2 0.799 74.8 57.9 -40.7 -42.2 27.6 -36.9 55.6 57 128 A G T 3 S- 0 0 35 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.699 131.7 -4.6 -67.7 -19.5 26.5 -34.5 58.4 58 129 A N < - 0 0 49 -3,-2.8 -1,-0.2 113,-0.2 -2,-0.1 -0.382 60.0-157.6-176.8 89.1 22.8 -35.5 58.2 59 130 A E + 0 0 139 -3,-0.4 2,-0.2 2,-0.1 -3,-0.1 0.456 67.0 97.2 -54.5 -1.0 21.6 -38.0 55.6 60 131 A E - 0 0 33 -5,-0.1 2,-0.4 2,-0.0 -2,-0.0 -0.639 57.5-158.9 -94.6 149.8 18.0 -36.7 55.9 61 132 A L + 0 0 45 -2,-0.2 2,-0.3 2,-0.0 19,-0.1 -0.770 47.8 129.8-123.9 82.1 16.3 -34.1 53.6 62 133 A T - 0 0 14 -2,-0.4 17,-1.7 144,-0.1 2,-0.5 -0.856 55.2-140.0-136.6 167.5 13.5 -32.8 55.8 63 134 A V E -Bc 78 208A 0 144,-1.7 146,-2.7 -2,-0.3 2,-0.5 -0.993 27.9-171.6-126.9 115.9 11.7 -29.8 57.3 64 135 A K E -Bc 77 209A 67 13,-3.3 13,-2.9 -2,-0.5 2,-0.4 -0.967 2.6-168.5-118.9 125.4 10.7 -30.5 60.9 65 136 A I E +Bc 76 210A 1 144,-3.0 146,-2.4 -2,-0.5 2,-0.4 -0.925 6.9 178.0-114.9 130.5 8.4 -28.1 62.9 66 137 A K E -B 75 0A 71 9,-2.1 9,-2.8 -2,-0.4 2,-0.4 -0.991 17.0-148.4-135.8 144.3 7.8 -28.2 66.6 67 138 A C E -B 74 0A 21 144,-0.4 2,-0.3 -2,-0.4 7,-0.2 -0.852 4.3-168.2-105.1 143.1 5.8 -26.1 69.0 68 139 A D E >>> +B 73 0A 62 5,-2.9 5,-2.1 -2,-0.4 3,-1.9 -0.697 12.7 171.5-131.0 77.4 6.8 -25.5 72.6 69 140 A K T 345S+ 0 0 128 119,-0.3 3,-0.5 -2,-0.3 -1,-0.1 0.885 78.5 56.0 -54.0 -42.1 3.8 -24.0 74.1 70 141 A E T 345S+ 0 0 198 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.590 117.8 34.4 -70.6 -8.4 5.2 -24.3 77.6 71 142 A K T <45S- 0 0 49 -3,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.396 108.6-122.5-119.9 -5.1 8.3 -22.3 76.5 72 143 A N T <5 + 0 0 51 -4,-1.3 108,-1.6 -3,-0.5 2,-0.4 0.857 66.2 134.2 65.7 37.9 6.4 -20.0 74.1 73 144 A L E < -BD 68 179A 38 -5,-2.1 -5,-2.9 106,-0.2 2,-0.4 -0.913 44.3-162.1-124.6 148.7 8.5 -21.1 71.1 74 145 A L E -BD 67 178A 0 104,-1.8 104,-3.4 -2,-0.4 2,-0.4 -0.995 16.9-164.2-122.5 129.1 8.0 -22.2 67.5 75 146 A H E -BD 66 177A 35 -9,-2.8 -9,-2.1 -2,-0.4 2,-0.5 -0.969 11.6-174.6-118.8 132.1 10.9 -24.0 65.8 76 147 A V E -BD 65 176A 2 100,-2.4 100,-2.8 -2,-0.4 2,-0.4 -0.972 15.7-179.0-125.0 111.7 11.3 -24.6 62.0 77 148 A T E -BD 64 175A 29 -13,-2.9 -13,-3.3 -2,-0.5 2,-0.3 -0.937 7.1-178.3-119.5 131.1 14.3 -26.8 61.3 78 149 A D E -BD 63 174A 11 96,-2.8 96,-1.6 -2,-0.4 -15,-0.2 -0.881 29.2-138.7-121.7 156.3 15.5 -27.9 57.9 79 150 A T + 0 0 10 -17,-1.7 94,-0.2 -2,-0.3 -16,-0.1 -0.251 62.4 129.9-105.1 46.6 18.4 -30.2 57.0 80 151 A G S S- 0 0 0 94,-0.1 -39,-0.3 -18,-0.1 -40,-0.1 0.104 79.1 -65.6 -81.3-163.2 19.4 -27.9 54.1 81 152 A V - 0 0 24 -41,-1.6 64,-0.5 1,-0.1 92,-0.2 0.763 69.1-157.3 -59.7 -31.3 22.8 -26.4 53.2 82 153 A G - 0 0 5 90,-0.2 2,-0.4 62,-0.2 62,-0.2 -0.169 14.9 -89.8 76.8-177.2 23.0 -24.3 56.3 83 154 A M - 0 0 29 90,-0.4 61,-0.3 67,-0.1 67,-0.2 -0.999 22.7-131.9-139.4 138.2 25.1 -21.1 56.7 84 155 A T > - 0 0 23 -2,-0.4 4,-1.8 59,-0.1 5,-0.2 -0.246 44.0 -94.7 -74.5 172.7 28.6 -20.4 57.9 85 156 A R H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.933 127.3 50.5 -57.1 -47.5 29.2 -17.7 60.4 86 157 A E H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.851 109.5 51.3 -60.0 -36.3 30.0 -15.1 57.7 87 158 A E H > S+ 0 0 75 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.791 104.8 56.5 -72.0 -29.9 26.8 -16.1 55.7 88 159 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 -3,-0.3 5,-0.4 0.947 112.6 41.5 -62.3 -50.8 24.6 -15.6 58.9 89 160 A V H X S+ 0 0 26 -4,-1.8 4,-1.9 3,-0.2 -2,-0.2 0.932 121.9 41.7 -61.8 -49.1 25.8 -12.1 59.2 90 161 A K H X S+ 0 0 35 -4,-2.4 4,-1.3 -5,-0.2 6,-0.5 0.930 117.0 43.7 -68.6 -48.5 25.6 -11.4 55.5 91 162 A N H < S+ 0 0 63 -4,-3.3 5,-0.3 1,-0.2 -3,-0.2 0.901 126.4 29.8 -67.9 -39.6 22.3 -13.1 54.7 92 163 A L H < S+ 0 0 14 -4,-2.0 -2,-0.2 -5,-0.4 -3,-0.2 0.769 126.2 39.5 -91.0 -27.7 20.4 -11.8 57.7 93 164 A G H < S+ 0 0 2 -4,-1.9 -85,-2.0 -5,-0.4 2,-0.3 0.522 114.3 32.7-105.3 -3.0 22.0 -8.5 58.3 94 165 A T S < S- 0 0 40 -4,-1.3 2,-2.1 -5,-0.2 3,-0.2 -0.895 90.3 -90.8-144.0 170.1 22.8 -6.9 54.9 95 166 A I + 0 0 30 -2,-0.3 6,-0.1 1,-0.2 -4,-0.1 -0.630 58.6 173.1 -84.4 80.2 21.4 -6.8 51.4 96 167 A A + 0 0 45 -2,-2.1 -1,-0.2 -6,-0.5 -5,-0.1 0.980 46.5 51.4 -54.8 -76.6 23.5 -9.8 50.5 97 168 A K S >> S- 0 0 137 -3,-0.2 3,-1.1 1,-0.1 4,-1.0 -0.249 82.7-118.8 -69.5 154.4 22.5 -10.9 47.0 98 169 A S H 3> S+ 0 0 119 1,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.784 116.7 59.7 -59.8 -26.8 22.4 -8.6 43.9 99 170 A G H 3> S+ 0 0 22 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.755 89.3 65.3 -75.2 -26.9 18.8 -9.6 43.9 100 171 A T H <> S+ 0 0 16 -3,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.901 102.0 51.5 -63.8 -37.8 17.9 -8.2 47.3 101 172 A S H X S+ 0 0 57 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.907 109.9 50.4 -61.7 -40.3 18.6 -4.8 46.0 102 173 A E H X S+ 0 0 90 -4,-0.9 4,-3.0 2,-0.2 5,-0.3 0.942 109.6 49.3 -63.1 -49.6 16.3 -5.6 43.1 103 174 A F H X S+ 0 0 0 -4,-3.0 4,-3.6 1,-0.2 5,-0.3 0.919 108.1 55.6 -55.4 -44.4 13.5 -6.7 45.5 104 175 A L H X S+ 0 0 7 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.904 112.7 40.7 -57.2 -42.8 14.0 -3.5 47.5 105 176 A N H X S+ 0 0 89 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.916 117.8 46.5 -73.0 -43.4 13.4 -1.4 44.5 106 177 A K H X S+ 0 0 88 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.906 112.2 51.4 -63.5 -43.1 10.6 -3.5 43.1 107 178 A M H X S+ 0 0 0 -4,-3.6 4,-2.9 -5,-0.3 5,-0.2 0.933 109.8 50.3 -59.7 -46.5 8.9 -3.7 46.5 108 179 A T H X S+ 0 0 42 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.886 114.3 42.8 -61.4 -41.8 9.1 0.1 46.9 109 180 A E H X S+ 0 0 122 -4,-2.1 4,-2.4 2,-0.2 3,-0.3 0.945 115.5 48.4 -70.7 -46.8 7.5 0.8 43.4 110 181 A A H <>S+ 0 0 7 -4,-3.1 5,-1.7 1,-0.3 4,-0.4 0.909 111.5 49.9 -58.6 -43.0 4.9 -1.9 43.8 111 182 A Q H <5S+ 0 0 76 -4,-2.9 3,-0.3 -5,-0.2 -1,-0.3 0.782 112.0 50.6 -66.9 -25.7 3.9 -0.7 47.3 112 183 A E H <5S+ 0 0 144 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.871 115.7 39.0 -78.7 -39.4 3.7 2.8 45.8 113 184 A D T <5S- 0 0 96 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.165 111.7-108.8-100.3 17.2 1.5 1.9 42.9 114 185 A G T 5 + 0 0 75 -4,-0.4 2,-0.2 -3,-0.3 -3,-0.2 0.635 67.0 145.5 68.9 15.2 -0.8 -0.6 44.6 115 186 A Q < - 0 0 132 -5,-1.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.576 61.3 -85.8 -82.8 151.2 0.5 -3.8 42.9 116 187 A S - 0 0 79 -2,-0.2 4,-0.2 1,-0.1 -1,-0.1 -0.228 41.5-176.3 -57.2 141.1 0.6 -7.0 45.0 117 188 A T > + 0 0 18 -96,-0.1 4,-1.7 2,-0.1 3,-0.3 0.649 64.7 79.6-114.1 -20.4 3.7 -7.4 47.1 118 189 A S H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.848 95.0 53.0 -59.7 -31.6 3.4 -10.8 48.8 119 190 A E H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 105.0 54.0 -70.0 -38.3 4.5 -12.5 45.5 120 191 A L H > S+ 0 0 19 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.864 105.4 54.2 -62.0 -39.1 7.7 -10.3 45.4 121 192 A I H X>S+ 0 0 1 -4,-1.7 5,-1.8 1,-0.2 4,-0.5 0.941 113.5 41.3 -60.3 -48.8 8.6 -11.3 48.9 122 193 A G H <5S+ 0 0 24 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.849 111.3 57.0 -67.8 -36.5 8.5 -15.0 48.0 123 194 A Q H <5S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.894 114.9 36.4 -62.5 -42.4 10.1 -14.5 44.6 124 195 A F H <5S- 0 0 48 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.426 105.8-126.5 -93.8 3.8 13.2 -12.9 46.1 125 196 A G T <5S+ 0 0 33 -4,-0.5 3,-0.2 -3,-0.5 -3,-0.2 0.854 70.5 126.8 53.8 44.8 13.2 -15.1 49.2 126 197 A V > < + 0 0 9 -5,-1.8 3,-0.9 -6,-0.2 4,-0.2 0.057 29.2 114.1-114.9 21.7 13.3 -12.3 51.7 127 198 A G G > + 0 0 0 -6,-0.4 3,-2.0 1,-0.2 4,-0.3 0.603 48.2 91.0 -69.5 -14.8 10.3 -13.5 53.7 128 199 A F G > S+ 0 0 12 1,-0.3 3,-2.4 -3,-0.2 -1,-0.2 0.902 78.6 61.2 -47.5 -44.4 12.4 -14.3 56.8 129 200 A Y G X S+ 0 0 9 -3,-0.9 3,-1.9 1,-0.3 -1,-0.3 0.735 85.6 75.5 -61.7 -17.7 11.7 -10.8 58.2 130 201 A S G X S+ 0 0 0 -3,-2.0 3,-2.0 1,-0.3 4,-0.4 0.688 75.5 79.9 -68.9 -13.7 8.0 -11.4 58.3 131 202 A A G X> S+ 0 0 0 -3,-2.4 3,-1.4 -4,-0.3 4,-1.3 0.799 79.0 69.6 -61.1 -24.9 8.7 -13.5 61.3 132 203 A F G <4 S+ 0 0 14 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.634 82.5 72.1 -70.7 -9.2 8.8 -10.3 63.3 133 204 A L G <4 S+ 0 0 15 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.797 116.0 20.9 -70.5 -28.7 5.1 -9.9 62.7 134 205 A V T <4 S+ 0 0 0 -3,-1.4 47,-2.7 -4,-0.4 2,-0.4 0.483 118.4 66.9-117.5 -3.4 4.5 -12.7 65.2 135 206 A A E < -E 180 0A 1 -4,-1.3 45,-0.2 45,-0.3 3,-0.1 -0.959 49.9-161.8-129.3 140.4 7.8 -12.8 67.2 136 207 A D E S+ 0 0 84 43,-2.0 2,-0.3 -2,-0.4 44,-0.1 0.689 92.5 22.6 -81.7 -22.9 9.5 -10.5 69.7 137 208 A K E -E 179 0A 69 42,-1.1 42,-2.7 -6,-0.1 2,-0.4 -0.994 65.7-162.1-147.4 136.0 12.8 -12.4 69.1 138 209 A V E -EF 178 154A 0 16,-2.7 16,-2.1 -2,-0.3 2,-0.4 -0.977 9.1-168.3-120.2 132.8 14.0 -14.5 66.3 139 210 A I E -EF 177 153A 38 38,-2.6 38,-3.5 -2,-0.4 2,-0.5 -0.981 2.8-164.1-122.4 133.0 16.9 -16.9 66.8 140 211 A V E -EF 176 152A 0 12,-2.9 12,-2.9 -2,-0.4 2,-0.5 -0.967 4.0-173.4-121.4 117.8 18.7 -18.7 63.9 141 212 A T E +EF 175 151A 8 34,-2.5 34,-2.8 -2,-0.5 2,-0.4 -0.935 17.1 177.6-107.3 128.6 20.9 -21.7 64.6 142 213 A S E -EF 174 150A 0 8,-2.5 8,-2.1 -2,-0.5 2,-0.4 -0.992 24.1-169.4-142.1 148.1 22.8 -23.0 61.6 143 214 A K E -E 173 0A 25 30,-2.9 30,-3.0 -2,-0.4 2,-0.3 -0.984 10.8-177.7-134.7 116.8 25.4 -25.6 60.6 144 215 A H > - 0 0 24 -2,-0.4 3,-2.1 -61,-0.3 -62,-0.2 -0.833 39.2-114.6-109.0 149.9 27.1 -25.6 57.2 145 216 A N T 3 S+ 0 0 58 -64,-0.5 -63,-0.1 -2,-0.3 -1,-0.1 0.783 114.8 52.5 -56.3 -26.4 29.6 -28.2 56.1 146 217 A N T 3 S+ 0 0 133 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.304 114.1 31.3 -96.3 14.1 32.4 -25.6 56.0 147 218 A D S < S- 0 0 50 -3,-2.1 2,-0.1 -63,-0.1 -3,-0.1 -0.947 80.9 -93.7-156.6 174.7 31.9 -24.2 59.5 148 219 A T - 0 0 84 -2,-0.3 -4,-0.3 1,-0.1 2,-0.2 -0.470 58.5 -79.0 -89.2 167.6 31.0 -24.9 63.1 149 220 A Q - 0 0 5 15,-0.2 15,-2.8 -2,-0.1 2,-0.3 -0.428 53.2-178.9 -70.8 133.2 27.4 -24.3 64.4 150 221 A H E -FG 142 163A 12 -8,-2.1 -8,-2.5 13,-0.3 2,-0.4 -0.896 20.2-138.1-130.2 164.1 26.5 -20.7 65.2 151 222 A I E -FG 141 162A 25 11,-2.5 11,-2.0 -2,-0.3 2,-0.4 -0.989 10.7-167.9-125.2 131.6 23.5 -18.8 66.6 152 223 A W E -FG 140 161A 0 -12,-2.9 -12,-2.9 -2,-0.4 2,-0.3 -0.889 14.9-179.1-111.5 142.4 22.2 -15.5 65.3 153 224 A E E +FG 139 160A 39 7,-1.9 7,-1.9 -2,-0.4 2,-0.3 -0.996 6.4 163.1-147.0 143.8 19.6 -13.7 67.5 154 225 A S E -FG 138 159A 0 -16,-2.1 -16,-2.7 -2,-0.3 5,-0.2 -0.983 38.4-159.8-162.0 147.2 17.7 -10.5 67.1 155 226 A D - 0 0 60 3,-0.7 4,-0.1 -2,-0.3 -1,-0.1 0.102 70.0 -99.0-107.7 15.2 14.7 -8.5 68.4 156 227 A S S S+ 0 0 39 2,-0.6 -149,-0.1 -18,-0.1 3,-0.1 0.099 113.8 86.4 85.2 -12.1 14.9 -6.5 65.1 157 228 A N S S- 0 0 125 1,-0.3 2,-0.3 -151,-0.1 -150,-0.1 0.492 111.1 -27.4 -93.2 -4.9 16.8 -3.6 66.9 158 229 A E - 0 0 77 -152,-0.1 -3,-0.7 2,-0.0 -2,-0.6 -0.878 67.1-133.4 171.2 172.0 20.3 -5.1 66.4 159 230 A F E -AG 5 154A 3 -154,-2.6 -154,-3.5 -2,-0.3 2,-0.3 -0.968 10.5-160.6-145.5 157.7 21.6 -8.7 66.1 160 231 A S E -AG 4 153A 3 -7,-1.9 -7,-1.9 -2,-0.3 2,-0.4 -0.957 3.2-156.3-135.9 159.9 24.4 -10.8 67.6 161 232 A V E +AG 3 152A 1 -158,-1.9 -158,-2.4 -2,-0.3 2,-0.3 -0.999 14.2 172.3-138.1 138.3 26.1 -14.0 66.6 162 233 A I E - G 0 151A 52 -11,-2.0 -11,-2.5 -2,-0.4 2,-0.1 -0.977 42.4 -99.3-141.0 151.4 28.0 -16.4 68.8 163 234 A A E - G 0 150A 40 -2,-0.3 -13,-0.3 -13,-0.2 -14,-0.1 -0.530 52.9-105.0 -68.3 142.0 29.5 -19.9 68.2 164 235 A D > - 0 0 11 -15,-2.8 3,-1.8 1,-0.2 -15,-0.2 -0.580 25.2-156.9 -72.9 116.0 27.0 -22.4 69.5 165 236 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.679 89.3 71.2 -68.3 -11.6 28.3 -23.7 72.9 166 237 A R T 3 S- 0 0 145 1,-0.3 -2,-0.1 -17,-0.0 2,-0.0 0.480 99.6-140.8 -79.9 -1.8 26.1 -26.8 72.3 167 238 A G < - 0 0 34 -3,-1.8 2,-1.5 -18,-0.2 -1,-0.3 -0.267 53.7 -17.7 74.3-162.9 28.4 -27.9 69.5 168 239 A N S S+ 0 0 96 1,-0.2 -1,-0.1 -3,-0.1 -25,-0.0 -0.612 75.4 144.3 -79.9 88.9 27.3 -29.5 66.3 169 240 A T + 0 0 86 -2,-1.5 -1,-0.2 1,-0.1 3,-0.1 0.649 66.4 54.3-100.5 -18.5 23.8 -30.6 67.2 170 241 A L S S- 0 0 26 -3,-0.2 2,-1.7 1,-0.1 -1,-0.1 0.768 83.5-151.3 -84.7 -29.4 22.1 -30.0 63.9 171 242 A G S S- 0 0 12 2,-0.1 2,-0.3 -27,-0.1 -113,-0.2 -0.470 77.7 -14.3 89.6 -61.2 24.5 -32.1 61.8 172 243 A R S S+ 0 0 1 -2,-1.7 2,-0.3 -115,-0.1 -28,-0.2 -0.880 109.5 47.1-167.9 135.5 23.7 -29.8 58.9 173 244 A G E - E 0 143A 0 -30,-3.0 -30,-2.9 -2,-0.3 -90,-0.4 -0.845 69.5 -72.4 132.6-163.6 21.0 -27.3 58.5 174 245 A T E -DE 78 142A 8 -96,-1.6 -96,-2.8 -2,-0.3 2,-0.5 -0.998 19.1-159.6-146.5 141.1 19.1 -24.5 60.1 175 246 A T E -DE 77 141A 15 -34,-2.8 -34,-2.5 -2,-0.4 2,-0.6 -0.984 7.5-159.4-119.2 130.6 16.6 -23.9 62.8 176 247 A I E -DE 76 140A 19 -100,-2.8 -100,-2.4 -2,-0.5 2,-0.5 -0.948 13.7-165.8-105.7 120.0 14.5 -20.8 63.0 177 248 A T E -DE 75 139A 12 -38,-3.5 -38,-2.6 -2,-0.6 2,-0.5 -0.951 2.0-160.3-112.8 123.0 13.3 -20.3 66.5 178 249 A L E -DE 74 138A 0 -104,-3.4 -104,-1.8 -2,-0.5 2,-1.0 -0.890 11.3-155.0-105.4 123.7 10.5 -17.8 67.1 179 250 A V E -DE 73 137A 42 -42,-2.7 -43,-2.0 -2,-0.5 -42,-1.1 -0.857 37.4-133.6 -92.1 101.1 9.8 -16.4 70.6 180 251 A L E - E 0 135A 3 -108,-1.6 -45,-0.3 -2,-1.0 5,-0.1 -0.213 4.9-117.7 -66.9 143.8 6.2 -15.6 70.0 181 252 A K > - 0 0 49 -47,-2.7 3,-1.1 1,-0.1 4,-0.1 -0.323 30.7-111.7 -67.9 159.8 4.4 -12.3 70.9 182 253 A E G > S+ 0 0 141 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.964 120.0 55.3 -58.7 -50.3 1.6 -12.6 73.5 183 254 A E G 3 S+ 0 0 154 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.615 107.0 53.2 -57.9 -12.7 -1.0 -11.8 70.7 184 255 A A G X + 0 0 7 -3,-1.1 3,-2.3 -50,-0.2 -1,-0.3 0.263 64.8 118.1-109.8 11.8 0.4 -14.7 68.7 185 256 A S G X + 0 0 53 -3,-2.2 3,-2.1 1,-0.3 4,-0.3 0.700 61.0 80.4 -51.9 -19.7 0.1 -17.5 71.2 186 257 A D G > S+ 0 0 99 1,-0.3 3,-1.7 -3,-0.2 -1,-0.3 0.830 81.7 63.8 -56.8 -34.5 -2.3 -19.2 68.8 187 258 A Y G < S+ 0 0 23 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.455 89.8 66.7 -72.0 -0.3 0.7 -20.4 66.8 188 259 A L G < S+ 0 0 13 -3,-2.1 2,-0.6 -4,-0.1 -119,-0.3 0.573 79.5 99.3 -91.8 -13.9 1.8 -22.5 69.8 189 260 A E S X> S- 0 0 77 -3,-1.7 4,-2.3 -4,-0.3 3,-1.0 -0.672 71.2-144.8 -79.2 114.7 -1.4 -24.6 69.2 190 261 A L H 3> S+ 0 0 40 -2,-0.6 4,-3.3 1,-0.3 5,-0.2 0.815 98.3 54.6 -44.8 -43.4 -0.5 -27.9 67.4 191 262 A D H 3> S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.863 109.4 46.0 -63.3 -39.1 -3.8 -27.8 65.5 192 263 A T H <> S+ 0 0 37 -3,-1.0 4,-2.2 -6,-0.3 -2,-0.2 0.962 116.1 46.0 -69.0 -48.5 -3.3 -24.3 64.2 193 264 A I H X S+ 0 0 1 -4,-2.3 4,-3.5 -7,-0.2 5,-0.3 0.935 111.7 50.1 -59.6 -50.2 0.3 -25.1 63.1 194 265 A K H X S+ 0 0 34 -4,-3.3 4,-3.1 1,-0.2 5,-0.2 0.957 111.6 49.1 -54.1 -53.5 -0.6 -28.4 61.5 195 266 A N H X S+ 0 0 99 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.874 115.6 44.1 -52.6 -42.8 -3.4 -26.8 59.5 196 267 A L H X S+ 0 0 28 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.919 113.2 49.2 -70.4 -44.4 -1.0 -24.0 58.4 197 268 A V H X S+ 0 0 0 -4,-3.5 4,-0.5 1,-0.2 -2,-0.2 0.901 113.1 49.4 -61.2 -39.5 1.9 -26.3 57.6 198 269 A K H >X S+ 0 0 138 -4,-3.1 4,-0.8 -5,-0.3 3,-0.8 0.911 110.3 49.6 -66.8 -42.3 -0.5 -28.5 55.6 199 270 A K H 3< S+ 0 0 73 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.840 119.1 38.6 -65.6 -32.5 -1.8 -25.5 53.7 200 271 A Y H 3< S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.291 111.6 54.8-103.6 12.7 1.7 -24.3 52.8 201 272 A S H X< S+ 0 0 0 -3,-0.8 3,-1.4 -4,-0.5 5,-0.2 0.572 72.0 91.1-122.1 -8.0 3.6 -27.5 52.1 202 273 A Q T 3< S+ 0 0 58 -4,-0.8 -2,-0.1 1,-0.3 -1,-0.1 0.814 93.0 49.7 -56.8 -31.2 1.7 -29.4 49.4 203 274 A F T 3 S+ 0 0 205 2,-0.0 -1,-0.3 23,-0.0 2,-0.2 0.593 90.1 103.1 -82.6 -16.1 3.8 -27.7 46.8 204 275 A I < - 0 0 35 -3,-1.4 4,-0.1 1,-0.1 -3,-0.0 -0.474 65.6-144.8 -74.9 143.1 7.1 -28.4 48.5 205 276 A N S S+ 0 0 84 -2,-0.2 -1,-0.1 2,-0.1 -3,-0.1 0.360 77.5 70.8 -87.0 3.7 9.3 -31.2 47.1 206 277 A F S S- 0 0 15 -5,-0.2 2,-0.2 -144,-0.0 -144,-0.1 -0.888 91.7 -97.6-122.1 153.3 10.6 -32.3 50.5 207 278 A P - 0 0 44 0, 0.0 -144,-1.7 0, 0.0 2,-0.5 -0.479 36.4-159.1 -68.6 136.5 8.8 -34.1 53.4 208 279 A I E -c 63 0A 0 18,-1.1 17,-2.9 -146,-0.2 18,-0.7 -0.980 10.2-173.5-123.0 120.7 7.6 -31.8 56.1 209 280 A Y E -cH 64 224A 61 -146,-2.7 -144,-3.0 -2,-0.5 2,-0.4 -0.812 13.1-158.4-114.5 155.0 6.8 -33.0 59.7 210 281 A V E -cH 65 223A 1 13,-1.7 13,-2.4 -2,-0.3 2,-0.8 -0.998 30.3-116.6-131.0 131.5 5.3 -31.5 62.8 211 282 A W E + H 0 222A 83 -146,-2.4 -144,-0.4 -2,-0.4 2,-0.3 -0.581 52.1 171.5 -68.5 108.2 6.0 -32.9 66.3 212 283 A S E - H 0 221A 10 9,-2.6 9,-2.7 -2,-0.8 2,-0.3 -0.888 25.6-145.2-126.3 157.2 2.4 -34.0 67.3 213 284 A S E - H 0 220A 43 -2,-0.3 7,-0.2 7,-0.2 5,-0.0 -0.807 7.2-168.6-117.2 157.7 0.7 -35.9 70.1 214 285 A K 0 0 176 5,-1.3 -1,-0.1 -2,-0.3 4,-0.1 0.803 360.0 360.0-108.1 -59.0 -2.3 -38.2 70.1 215 286 A T 0 0 110 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.016 360.0 360.0 62.7 360.0 -3.3 -38.9 73.7 216 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 217 328 A K 0 0 233 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.5 -1.5 -42.1 77.4 218 329 A T - 0 0 66 -4,-0.1 2,-0.6 -5,-0.0 -5,-0.0 -0.962 360.0-152.9-118.9 128.0 -0.0 -39.6 75.0 219 330 A V - 0 0 86 -2,-0.5 -5,-1.3 2,-0.0 2,-0.5 -0.886 13.2-171.3-103.6 115.8 1.7 -40.5 71.7 220 331 A W E +H 213 0A 146 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.916 24.5 124.2-111.2 119.7 4.3 -38.0 70.5 221 332 A D E -H 212 0A 96 -9,-2.7 -9,-2.6 -2,-0.5 2,-0.4 -0.989 62.9 -72.2-162.6 168.5 5.9 -38.3 67.0 222 333 A W E -H 211 0A 71 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.528 44.5-159.5 -68.8 121.2 6.7 -36.6 63.7 223 334 A E E -H 210 0A 83 -13,-2.4 -13,-1.7 -2,-0.4 2,-0.3 -0.927 16.0-128.0-107.4 123.9 3.5 -36.4 61.7 224 335 A L E +H 209 0A 91 -2,-0.6 -15,-0.2 -15,-0.2 -2,-0.0 -0.546 27.8 175.7 -73.2 128.9 3.9 -36.0 58.0 225 336 A M 0 0 11 -17,-2.9 -24,-0.1 -2,-0.3 -1,-0.1 0.492 360.0 360.0-105.8 -12.0 1.9 -33.1 56.5 226 337 A N 0 0 98 -18,-0.7 -18,-1.1 -23,-0.0 -1,-0.2 -0.843 360.0 360.0 99.7 360.0 3.4 -33.5 53.0