==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 30-OCT-11 3UEM . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.YU,C.WANG,L.HUO,W.FENG,C.-C.WANG . 358 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.3 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 . 26 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 2 0 1 1 0 1 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 1 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 PARALLEL BRIDGES PER LADDER . 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 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 1 119 A H > 0 0 167 0, 0.0 3,-1.4 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 -51.5 -10.6 0.8 -27.4 2 120 A H T 3 + 0 0 66 1,-0.3 3,-0.0 24,-0.1 19,-0.0 0.403 360.0 55.7 -71.7 5.6 -7.3 0.3 -25.5 3 121 A H T 3 S+ 0 0 165 17,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.010 103.2 56.1-130.0 26.3 -6.7 -2.7 -27.9 4 122 A S S < S- 0 0 85 -3,-1.4 2,-0.3 0, 0.0 0, 0.0 -0.973 70.4-131.6-152.1 156.1 -7.0 -0.9 -31.2 5 123 A S - 0 0 80 -2,-0.3 2,-0.1 1,-0.1 -3,-0.0 -0.848 9.9-151.2-110.0 149.5 -5.3 2.0 -33.0 6 124 A G > - 0 0 35 -2,-0.3 3,-1.3 0, 0.0 -1,-0.1 -0.025 59.3 -61.5 -89.2-152.6 -6.8 4.9 -34.8 7 125 A L G > S+ 0 0 137 1,-0.3 3,-2.1 2,-0.1 4,-0.2 0.481 115.6 92.0 -80.0 -1.7 -5.1 6.7 -37.6 8 126 A E G >> S+ 0 0 69 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.737 71.0 76.3 -57.6 -24.1 -2.2 7.7 -35.3 9 127 A V G <4 S+ 0 0 80 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.645 81.2 69.8 -63.7 -14.7 -0.7 4.5 -36.6 10 128 A L G <4 S+ 0 0 137 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.715 111.1 24.6 -75.8 -23.1 0.1 6.4 -39.8 11 129 A F T <4 S+ 0 0 169 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.2 0.224 104.6 85.9-132.6 13.4 2.8 8.6 -38.3 12 130 A Q S < S- 0 0 72 -4,-0.5 3,-0.1 1,-0.1 0, 0.0 -0.739 85.4 -82.5-111.0 164.2 4.2 6.8 -35.3 13 131 A G - 0 0 42 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.175 60.8 -85.3 -55.8 154.8 6.9 4.2 -34.9 14 132 A P - 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.399 47.7-128.6 -66.9 141.5 5.9 0.5 -35.6 15 133 A G - 0 0 58 -3,-0.1 2,-0.4 -2,-0.1 5,-0.1 -0.112 16.9-115.2 -82.2-175.8 4.4 -1.3 -32.6 16 134 A S - 0 0 34 3,-0.6 3,-0.3 1,-0.1 5,-0.2 -0.925 6.9-138.3-125.5 145.7 5.3 -4.6 -31.1 17 135 A E S S+ 0 0 170 -2,-0.4 -1,-0.1 1,-0.2 3,-0.0 0.765 105.6 50.7 -60.4 -27.0 3.5 -8.0 -30.8 18 136 A F S S+ 0 0 66 1,-0.1 48,-0.4 47,-0.0 2,-0.4 0.548 108.0 42.1-104.5 -11.7 4.8 -8.2 -27.2 19 137 A A S S- 0 0 5 -3,-0.3 -3,-0.6 46,-0.1 2,-0.4 -1.000 79.5-118.2-136.2 138.9 3.9 -4.9 -25.6 20 138 A T E -a 67 0A 45 46,-2.9 48,-3.1 -2,-0.4 2,-0.3 -0.608 30.0-124.4 -75.8 126.7 0.7 -2.8 -25.8 21 139 A T E -a 68 0A 53 -2,-0.4 48,-0.2 46,-0.2 -1,-0.1 -0.563 22.4-153.6 -70.8 129.0 1.3 0.6 -27.2 22 140 A L - 0 0 6 46,-3.3 49,-0.5 -2,-0.3 48,-0.4 -0.895 16.0-179.0-113.8 103.0 -0.0 3.3 -24.8 23 141 A P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 51,-0.1 0.803 64.4 -4.6 -70.0 -30.8 -1.1 6.6 -26.5 24 142 A D S > S- 0 0 67 49,-0.1 4,-1.7 50,-0.1 5,-0.1 -0.842 82.2 -77.7-153.4-177.3 -2.1 8.4 -23.3 25 143 A G H > S+ 0 0 22 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.850 122.2 54.3 -61.6 -38.2 -2.6 8.5 -19.5 26 144 A A H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 106.6 51.0 -63.1 -42.8 -5.9 6.7 -19.8 27 145 A A H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.890 111.5 48.5 -62.6 -40.5 -4.4 3.8 -21.7 28 146 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.923 109.3 50.7 -67.3 -47.2 -1.6 3.4 -19.1 29 147 A E H X S+ 0 0 99 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.865 110.2 52.0 -56.0 -38.9 -4.0 3.5 -16.1 30 148 A S H X S+ 0 0 50 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.871 108.2 50.4 -68.9 -38.0 -6.0 0.8 -17.8 31 149 A L H >< S+ 0 0 13 -4,-1.7 3,-0.5 2,-0.2 4,-0.4 0.925 112.4 45.9 -66.1 -45.8 -3.0 -1.4 -18.4 32 150 A V H >< S+ 0 0 27 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.902 113.8 49.5 -63.4 -39.0 -1.9 -1.2 -14.7 33 151 A E H 3< S+ 0 0 133 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.629 97.7 70.7 -76.2 -14.8 -5.4 -1.9 -13.4 34 152 A S T << S+ 0 0 82 -4,-0.8 2,-0.3 -3,-0.5 -1,-0.2 0.631 106.4 26.6 -78.1 -15.2 -5.8 -4.9 -15.7 35 153 A S S < S- 0 0 34 -3,-1.0 3,-0.1 -4,-0.4 29,-0.1 -0.964 73.8-117.2-148.6 161.4 -3.4 -7.0 -13.7 36 154 A E S S+ 0 0 108 -2,-0.3 54,-2.1 1,-0.2 2,-0.4 0.850 110.1 24.2 -66.8 -36.9 -1.8 -7.6 -10.3 37 155 A V E S+B 89 0A 13 52,-0.2 2,-0.3 53,-0.1 52,-0.2 -0.995 74.0 169.2-128.9 135.3 1.6 -6.8 -11.8 38 156 A A E -B 88 0A 1 50,-2.3 50,-4.1 -2,-0.4 2,-0.4 -0.990 16.2-153.6-141.6 149.0 2.2 -4.7 -14.9 39 157 A V E -Bc 87 66A 0 26,-1.8 28,-2.7 -2,-0.3 2,-0.5 -0.983 5.1-165.2-127.6 136.8 5.3 -3.1 -16.5 40 158 A I E -Bc 86 67A 0 46,-2.7 46,-2.5 -2,-0.4 2,-0.5 -0.983 8.6-152.8-121.6 127.2 5.6 -0.1 -18.7 41 159 A G E -Bc 85 68A 0 26,-2.6 28,-2.3 -2,-0.5 2,-0.8 -0.872 9.4-154.2 -93.7 125.4 8.6 0.9 -20.9 42 160 A F E +Bc 84 69A 0 42,-3.7 42,-1.8 -2,-0.5 2,-0.4 -0.893 29.7 157.3-102.5 105.1 8.8 4.6 -21.4 43 161 A F - 0 0 1 26,-2.6 3,-0.2 -2,-0.8 -2,-0.1 -0.937 35.1-162.7-139.0 113.2 10.7 5.1 -24.7 44 162 A K S S+ 0 0 105 -2,-0.4 2,-0.7 1,-0.3 -1,-0.1 0.883 95.2 42.0 -58.7 -41.1 10.6 8.2 -26.9 45 163 A D > - 0 0 88 1,-0.1 3,-1.5 -32,-0.0 6,-0.3 -0.926 69.1-169.7-111.7 104.8 12.0 6.1 -29.8 46 164 A V T 3 S+ 0 0 22 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.662 87.7 57.2 -62.9 -19.3 10.4 2.7 -29.8 47 165 A E T 3 S+ 0 0 115 4,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.397 82.7 111.6 -96.8 1.6 13.1 1.7 -32.4 48 166 A S S <> S- 0 0 25 -3,-1.5 4,-2.0 1,-0.1 5,-0.2 -0.224 81.8-107.7 -71.0 165.5 16.1 2.5 -30.2 49 167 A D H > S+ 0 0 130 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.878 118.9 49.9 -59.7 -42.3 18.5 -0.2 -28.8 50 168 A S H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.881 110.4 48.7 -67.0 -41.1 17.1 0.3 -25.2 51 169 A A H > S+ 0 0 0 -6,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.874 110.5 52.0 -67.4 -38.7 13.5 0.0 -26.3 52 170 A K H X S+ 0 0 96 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.826 106.0 53.5 -67.1 -35.0 14.2 -3.2 -28.3 53 171 A Q H X S+ 0 0 57 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.896 109.8 49.9 -63.7 -39.9 15.9 -4.7 -25.2 54 172 A F H X S+ 0 0 1 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.902 108.1 51.5 -62.9 -45.1 12.7 -4.0 -23.3 55 173 A L H X S+ 0 0 22 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.794 107.2 54.5 -63.9 -29.7 10.6 -5.6 -26.1 56 174 A Q H X S+ 0 0 80 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.861 106.5 51.0 -69.3 -38.3 12.8 -8.7 -25.8 57 175 A A H X S+ 0 0 0 -4,-1.6 4,-1.0 1,-0.2 3,-0.2 0.933 110.2 50.5 -58.8 -46.5 12.1 -8.8 -22.1 58 176 A A H < S+ 0 0 6 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.821 107.0 53.7 -62.4 -37.3 8.3 -8.6 -22.9 59 177 A E H < S+ 0 0 102 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.870 107.9 50.6 -64.8 -38.3 8.5 -11.4 -25.4 60 178 A A H < S+ 0 0 52 -4,-1.5 2,-0.5 -3,-0.2 -1,-0.2 0.681 99.8 70.6 -78.7 -20.8 10.1 -13.8 -22.9 61 179 A I < + 0 0 31 -4,-1.0 3,-0.1 -3,-0.2 -1,-0.0 -0.884 53.0 177.3-105.2 126.5 7.6 -13.3 -20.1 62 180 A D S S+ 0 0 153 -2,-0.5 -1,-0.1 1,-0.1 -4,-0.0 0.745 70.9 53.7 -97.3 -28.5 4.1 -14.7 -20.6 63 181 A D S S+ 0 0 121 2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.286 97.2 66.7-100.4 10.3 2.2 -13.9 -17.3 64 182 A I S S- 0 0 11 -6,-0.1 2,-0.3 -3,-0.1 -26,-0.1 -0.997 78.7-127.3-131.3 127.9 2.7 -10.2 -17.0 65 183 A P - 0 0 40 0, 0.0 -26,-1.8 0, 0.0 2,-0.4 -0.591 23.4-153.7 -76.7 131.7 1.2 -7.6 -19.4 66 184 A F E - c 0 39A 7 -48,-0.4 -46,-2.9 -2,-0.3 2,-0.3 -0.857 9.3-169.2-105.3 140.3 3.8 -5.1 -20.9 67 185 A G E -ac 20 40A 0 -28,-2.7 -26,-2.6 -2,-0.4 2,-0.4 -0.890 3.1-160.5-121.6 156.3 3.0 -1.6 -22.1 68 186 A I E -ac 21 41A 4 -48,-3.1 -46,-3.3 -2,-0.3 2,-0.4 -1.000 9.1-178.7-140.2 138.4 5.0 0.8 -24.1 69 187 A T E + c 0 42A 2 -28,-2.3 -26,-2.6 -2,-0.4 -48,-0.0 -0.994 25.4 178.3-141.3 144.8 4.7 4.6 -24.5 70 188 A S + 0 0 44 -48,-0.4 2,-0.4 -2,-0.4 -1,-0.1 0.227 54.1 115.0-119.5 4.9 6.4 7.4 -26.3 71 189 A N >> - 0 0 53 -49,-0.5 4,-1.8 1,-0.1 3,-0.6 -0.697 58.2-148.7 -87.2 126.1 4.1 10.2 -25.1 72 190 A S H 3> S+ 0 0 57 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.823 97.0 60.8 -64.0 -35.7 5.7 12.8 -22.9 73 191 A D H 3> S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.864 106.5 48.0 -57.9 -35.7 2.5 13.4 -21.0 74 192 A V H <> S+ 0 0 0 -3,-0.6 4,-1.4 2,-0.2 -2,-0.2 0.906 109.3 51.7 -72.9 -43.6 2.6 9.7 -19.9 75 193 A F H ><>S+ 0 0 8 -4,-1.8 5,-2.5 1,-0.2 3,-0.7 0.966 114.1 45.6 -48.9 -56.1 6.3 10.1 -18.9 76 194 A S H ><5S+ 0 0 81 -4,-3.0 3,-2.4 1,-0.2 -2,-0.2 0.889 104.0 61.8 -55.4 -47.1 5.2 13.1 -16.8 77 195 A K H 3<5S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.823 111.4 39.6 -50.9 -35.9 2.2 11.3 -15.4 78 196 A Y T <<5S- 0 0 23 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.033 121.5-104.1-107.5 26.5 4.6 8.8 -13.8 79 197 A Q T < 5 + 0 0 147 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.882 67.6 153.6 53.8 46.0 7.3 11.3 -12.8 80 198 A L < - 0 0 22 -5,-2.5 -1,-0.2 -8,-0.2 -2,-0.1 -0.934 29.2-178.0-108.5 125.2 9.7 10.4 -15.6 81 199 A D S S- 0 0 160 -2,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.629 75.3 -3.9 -86.6 -19.8 12.1 13.0 -16.8 82 200 A K S S- 0 0 147 -7,-0.1 -40,-0.1 1,-0.1 -1,-0.1 -0.866 104.4 -36.4-158.2-179.0 13.5 10.6 -19.5 83 201 A D S S+ 0 0 59 -2,-0.2 2,-0.3 -3,-0.1 -40,-0.2 -0.196 70.7 136.2 -52.4 142.4 13.3 7.0 -20.9 84 202 A G E -B 42 0A 14 -42,-1.8 -42,-3.7 -4,-0.1 2,-0.4 -0.977 48.0-112.7-176.3 172.1 12.8 4.3 -18.2 85 203 A V E -B 41 0A 1 13,-0.3 13,-2.4 -2,-0.3 2,-0.4 -0.988 26.4-170.3-125.7 133.8 11.1 1.1 -17.2 86 204 A V E -BD 40 97A 0 -46,-2.5 -46,-2.7 -2,-0.4 2,-0.5 -0.991 11.4-153.5-127.8 129.6 8.6 0.9 -14.3 87 205 A L E -BD 39 96A 0 9,-2.9 9,-2.9 -2,-0.4 2,-0.3 -0.877 16.6-162.1 -94.9 133.4 7.0 -2.1 -12.7 88 206 A F E +BD 38 95A 19 -50,-4.1 -50,-2.3 -2,-0.5 2,-0.3 -0.874 9.9 179.0-113.5 151.4 3.6 -1.6 -11.1 89 207 A K E -B 37 0A 13 5,-2.1 -52,-0.2 -2,-0.3 2,-0.2 -0.995 36.8-127.8-153.4 148.3 1.8 -3.8 -8.6 90 208 A K S S+ 0 0 87 -54,-2.1 2,-0.3 -2,-0.3 -53,-0.1 -0.058 89.9 52.3 -87.0 33.4 -1.4 -3.9 -6.5 91 209 A F S > S- 0 0 42 -2,-0.2 3,-2.0 -55,-0.2 -2,-0.1 -0.976 98.7 -2.3-159.2 163.6 0.5 -4.4 -3.2 92 210 A D T 3 S+ 0 0 49 -2,-0.3 -3,-0.0 1,-0.3 0, 0.0 -0.204 130.1 0.4 53.4-125.8 3.3 -3.1 -1.0 93 211 A E T 3 S- 0 0 97 1,-0.1 -1,-0.3 -5,-0.0 -3,-0.0 0.701 87.7-141.7 -68.4 -20.3 5.1 -0.1 -2.5 94 212 A G S < S+ 0 0 26 -3,-2.0 -5,-2.1 -6,-0.1 2,-0.3 0.231 73.1 39.4 83.4 -13.7 2.8 -0.3 -5.6 95 213 A R E -D 88 0A 62 -7,-0.3 2,-0.4 -4,-0.1 -7,-0.2 -0.952 58.4-164.4-169.5 138.3 5.6 0.6 -8.0 96 214 A N E -D 87 0A 27 -9,-2.9 -9,-2.9 -2,-0.3 2,-0.4 -0.999 15.6-142.5-133.4 131.3 9.3 -0.1 -8.6 97 215 A N E -D 86 0A 63 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.2 -0.805 18.6-129.1 -94.0 130.4 11.7 1.8 -10.9 98 216 A F - 0 0 24 -13,-2.4 2,-0.3 -2,-0.4 -13,-0.3 -0.499 26.1-171.7 -73.3 142.5 14.3 -0.0 -12.9 99 217 A E + 0 0 169 -2,-0.2 2,-0.2 2,-0.1 -15,-0.0 -0.997 39.9 34.8-138.2 144.0 17.9 1.2 -12.7 100 218 A G S S- 0 0 64 -2,-0.3 2,-0.4 2,-0.1 -2,-0.0 -0.697 100.5 -12.7 114.0-168.4 21.0 0.3 -14.7 101 219 A E - 0 0 154 -2,-0.2 2,-1.1 1,-0.1 5,-0.1 -0.578 67.5-125.5 -75.5 121.1 21.7 -0.8 -18.2 102 220 A V + 0 0 34 -2,-0.4 2,-0.3 4,-0.1 -49,-0.2 -0.570 53.3 144.3 -71.9 97.3 18.5 -1.7 -20.0 103 221 A T > - 0 0 31 -2,-1.1 4,-2.7 -50,-0.1 5,-0.2 -0.937 62.6-110.1-130.8 158.2 19.1 -5.2 -21.3 104 222 A K H > S+ 0 0 58 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.900 120.2 43.3 -50.4 -45.8 16.8 -8.2 -21.7 105 223 A E H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.840 112.8 49.7 -74.2 -38.6 18.6 -10.0 -18.9 106 224 A N H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 113.7 48.4 -66.6 -37.3 18.9 -7.0 -16.5 107 225 A L H X S+ 0 0 3 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.904 108.8 52.2 -68.3 -42.8 15.1 -6.4 -17.1 108 226 A L H X S+ 0 0 44 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.842 111.1 48.5 -61.8 -36.5 14.2 -10.0 -16.4 109 227 A D H X S+ 0 0 85 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.918 109.9 52.1 -66.5 -45.8 16.1 -9.9 -13.2 110 228 A F H X S+ 0 0 20 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.899 112.1 45.6 -57.8 -45.7 14.4 -6.6 -12.2 111 229 A I H >X S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 3,-1.0 0.963 111.2 51.6 -62.9 -55.4 10.9 -8.1 -12.8 112 230 A K H 3< S+ 0 0 105 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.800 110.3 50.4 -49.6 -37.5 11.7 -11.4 -11.0 113 231 A H H 3< S+ 0 0 134 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.716 121.4 29.0 -80.2 -22.3 12.9 -9.5 -7.9 114 232 A N H << S+ 0 0 31 -3,-1.0 -2,-0.2 -4,-1.0 -1,-0.2 0.414 96.7 87.7-118.1 0.0 9.9 -7.1 -7.5 115 233 A Q S < S+ 0 0 50 -4,-1.5 -3,-0.1 -5,-0.1 -2,-0.1 0.758 78.0 70.3 -73.7 -30.9 7.1 -9.2 -8.9 116 234 A L S S- 0 0 56 -4,-0.4 4,-0.1 1,-0.1 -27,-0.0 -0.709 83.5-114.1 -98.5 141.0 6.2 -11.0 -5.7 117 235 A P - 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