NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12081 | 1sj6 | 6152 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 18.120 1.775 -7.738 2 2H MET 1 HT2 MET 1 19.280 2.932 -7.228 3 3H MET 1 HT3 MET 1 17.763 3.448 -7.843 4 HA MET 1 HA MET 1 18.052 1.785 -5.441 5 1HB MET 1 HB2 MET 1 17.636 3.992 -4.253 6 2HB MET 1 HB1 MET 1 19.239 3.776 -4.942 7 1HG MET 1 HG2 MET 1 18.968 5.427 -6.446 8 2HG MET 1 HG1 MET 1 17.257 5.078 -6.686 9 1HE MET 1 HE1 MET 1 16.009 7.039 -6.598 10 2HE MET 1 HE2 MET 1 15.686 7.984 -5.144 11 3HE MET 1 HE3 MET 1 15.267 6.271 -5.194 12 H SER 2 HN SER 2 16.152 0.798 -5.234 13 HA SER 2 HA SER 2 13.711 2.291 -5.941 14 1HB SER 2 HB2 SER 2 12.828 -0.246 -5.968 15 2HB SER 2 HB1 SER 2 13.516 0.535 -7.392 16 HG SER 2 HG SER 2 14.673 -1.278 -7.251 17 H GLY 3 HN GLY 3 12.400 2.778 -4.310 18 1HA GLY 3 HA2 GLY 3 12.729 1.293 -1.780 19 2HA GLY 3 HA1 GLY 3 12.225 2.972 -1.891 20 H LEU 4 HN LEU 4 10.644 1.635 -0.357 21 HA LEU 4 HA LEU 4 8.221 1.272 -1.949 22 1HB LEU 4 HB2 LEU 4 9.579 -0.924 -1.106 23 2HB LEU 4 HB1 LEU 4 8.521 -0.654 0.265 24 HG LEU 4 HG LEU 4 7.674 -1.111 -2.595 25 1HD1 LEU 4 HD11 LEU 4 8.314 -3.165 -1.610 26 2HD1 LEU 4 HD12 LEU 4 6.553 -3.101 -1.533 27 3HD1 LEU 4 HD13 LEU 4 7.511 -2.768 -0.090 28 1HD2 LEU 4 HD21 LEU 4 5.392 -1.267 -1.214 29 2HD2 LEU 4 HD22 LEU 4 5.959 0.227 -1.961 30 3HD2 LEU 4 HD23 LEU 4 6.227 -0.056 -0.241 31 H ARG 5 HN ARG 5 6.831 2.702 -1.167 32 HA ARG 5 HA ARG 5 6.701 3.082 1.753 33 1HB ARG 5 HB2 ARG 5 6.008 5.425 1.303 34 2HB ARG 5 HB1 ARG 5 7.647 5.073 0.772 35 1HG ARG 5 HG2 ARG 5 6.580 4.649 -1.531 36 2HG ARG 5 HG1 ARG 5 5.189 5.513 -0.873 37 1HD ARG 5 HD2 ARG 5 6.584 7.076 -2.048 38 2HD ARG 5 HD1 ARG 5 6.693 7.406 -0.320 39 HE ARG 5 HE ARG 5 8.764 5.659 -1.215 40 1HH1 ARG 5 HH11 ARG 5 7.794 9.007 -1.049 41 2HH1 ARG 5 HH12 ARG 5 9.417 9.609 -1.096 42 1HH2 ARG 5 HH21 ARG 5 10.899 6.449 -1.277 43 2HH2 ARG 5 HH22 ARG 5 11.180 8.157 -1.226 44 H VAL 6 HN VAL 6 4.976 1.809 2.224 45 HA VAL 6 HA VAL 6 2.596 1.821 0.593 46 HB VAL 6 HB VAL 6 2.937 0.591 3.328 47 1HG1 VAL 6 HG11 VAL 6 1.003 -0.570 2.947 48 2HG1 VAL 6 HG12 VAL 6 1.177 -0.503 1.193 49 3HG1 VAL 6 HG13 VAL 6 0.642 0.923 2.081 50 1HG2 VAL 6 HG21 VAL 6 3.594 -1.458 2.243 51 2HG2 VAL 6 HG22 VAL 6 4.694 -0.170 1.753 52 3HG2 VAL 6 HG23 VAL 6 3.426 -0.714 0.653 53 H TYR 7 HN TYR 7 0.771 2.957 0.915 54 HA TYR 7 HA TYR 7 0.790 4.982 3.000 55 1HB TYR 7 HB2 TYR 7 -0.825 4.526 0.515 56 2HB TYR 7 HB1 TYR 7 -1.427 5.614 1.761 57 HD1 TYR 7 HD1 TYR 7 1.154 5.092 -0.786 58 HD2 TYR 7 HD2 TYR 7 -0.332 7.734 2.200 59 HE1 TYR 7 HE1 TYR 7 2.541 6.902 -1.706 60 HE2 TYR 7 HE2 TYR 7 1.051 9.551 1.287 61 HH TYR 7 HH TYR 7 3.579 9.098 -0.743 62 H SER 8 HN SER 8 -0.786 5.242 4.561 63 HA SER 8 HA SER 8 -2.971 3.383 4.800 64 1HB SER 8 HB2 SER 8 -0.573 2.538 5.878 65 2HB SER 8 HB1 SER 8 -1.387 3.267 7.262 66 HG SER 8 HG SER 8 -3.253 1.940 6.561 67 H THR 9 HN THR 9 -3.924 3.711 7.191 68 HA THR 9 HA THR 9 -3.823 6.592 7.788 69 HB THR 9 HB THR 9 -5.857 6.197 6.548 70 HG1 THR 9 HG1 THR 9 -6.522 7.572 7.995 71 1HG2 THR 9 HG21 THR 9 -6.776 4.236 8.615 72 2HG2 THR 9 HG22 THR 9 -5.982 3.725 7.126 73 3HG2 THR 9 HG23 THR 9 -7.499 4.621 7.054 74 H SER 10 HN SER 10 -2.750 6.599 9.677 75 HA SER 10 HA SER 10 -2.860 4.588 11.636 76 1HB SER 10 HB2 SER 10 -1.805 7.360 11.484 77 2HB SER 10 HB1 SER 10 -2.075 6.704 13.099 78 HG SER 10 HG SER 10 -0.654 5.074 12.674 79 H VAL 11 HN VAL 11 -4.227 7.882 11.827 80 HA VAL 11 HA VAL 11 -5.750 7.444 14.125 81 HB VAL 11 HB VAL 11 -5.261 9.686 13.232 82 1HG1 VAL 11 HG11 VAL 11 -5.932 10.450 11.225 83 2HG1 VAL 11 HG12 VAL 11 -7.494 9.637 11.319 84 3HG1 VAL 11 HG13 VAL 11 -6.059 8.736 10.829 85 1HG2 VAL 11 HG21 VAL 11 -8.243 9.347 13.364 86 2HG2 VAL 11 HG22 VAL 11 -7.262 10.698 13.932 87 3HG2 VAL 11 HG23 VAL 11 -7.214 9.154 14.783 88 H THR 12 HN THR 12 -6.392 6.660 10.793 89 HA THR 12 HA THR 12 -8.053 5.475 9.787 90 HB THR 12 HB THR 12 -8.839 4.739 12.614 91 HG1 THR 12 HG1 THR 12 -7.012 3.583 10.792 92 1HG2 THR 12 HG21 THR 12 -9.254 2.932 10.301 93 2HG2 THR 12 HG22 THR 12 -10.403 4.244 10.562 94 3HG2 THR 12 HG23 THR 12 -10.131 3.045 11.826 95 H GLY 13 HN GLY 13 -10.153 5.781 9.069 96 1HA GLY 13 HA2 GLY 13 -11.673 7.875 10.499 97 2HA GLY 13 HA1 GLY 13 -11.550 7.814 8.748 98 H SER 14 HN SER 14 -12.044 5.240 8.127 99 HA SER 14 HA SER 14 -14.862 5.011 8.794 100 1HB SER 14 HB2 SER 14 -13.340 4.495 6.494 101 2HB SER 14 HB1 SER 14 -13.876 2.913 7.059 102 HG SER 14 HG SER 14 -15.458 3.758 5.732 103 H ARG 15 HN ARG 15 -15.405 2.378 8.604 104 HA ARG 15 HA ARG 15 -14.028 1.249 10.927 105 1HB ARG 15 HB2 ARG 15 -16.540 1.823 11.013 106 2HB ARG 15 HB1 ARG 15 -16.739 0.400 9.999 107 1HG ARG 15 HG2 ARG 15 -15.099 -0.093 12.356 108 2HG ARG 15 HG1 ARG 15 -16.737 0.436 12.740 109 1HD ARG 15 HD2 ARG 15 -17.202 -1.379 10.767 110 2HD ARG 15 HD1 ARG 15 -15.788 -2.077 11.555 111 HE ARG 15 HE ARG 15 -17.858 -1.274 13.382 112 1HH1 ARG 15 HH11 ARG 15 -16.688 -3.844 11.331 113 2HH1 ARG 15 HH12 ARG 15 -17.499 -5.090 12.219 114 1HH2 ARG 15 HH21 ARG 15 -18.924 -2.912 14.551 115 2HH2 ARG 15 HH22 ARG 15 -18.769 -4.562 14.046 116 H GLU 16 HN GLU 16 -14.540 0.890 7.709 117 HA GLU 16 HA GLU 16 -13.972 -1.981 7.683 118 1HB GLU 16 HB2 GLU 16 -14.569 -0.269 5.275 119 2HB GLU 16 HB1 GLU 16 -14.692 -2.017 5.420 120 1HG GLU 16 HG2 GLU 16 -16.891 -1.403 5.519 121 2HG GLU 16 HG1 GLU 16 -16.477 -1.460 7.232 122 H ILE 17 HN ILE 17 -12.652 1.133 6.854 123 HA ILE 17 HA ILE 17 -10.551 0.412 5.183 124 HB ILE 17 HB ILE 17 -10.572 2.594 7.274 125 1HG1 ILE 17 HG12 ILE 17 -12.454 2.713 5.670 126 2HG1 ILE 17 HG11 ILE 17 -11.332 4.057 5.485 127 1HG2 ILE 17 HG21 ILE 17 -8.889 2.348 4.784 128 2HG2 ILE 17 HG22 ILE 17 -8.320 2.045 6.426 129 3HG2 ILE 17 HG23 ILE 17 -8.847 3.662 5.960 130 1HD1 ILE 17 HD11 ILE 17 -10.376 2.155 3.729 131 2HD1 ILE 17 HD12 ILE 17 -11.331 3.580 3.321 132 3HD1 ILE 17 HD13 ILE 17 -12.129 2.029 3.586 133 H LYS 18 HN LYS 18 -10.896 0.128 8.650 134 HA LYS 18 HA LYS 18 -8.172 -0.324 9.271 135 1HB LYS 18 HB2 LYS 18 -10.556 -1.401 10.777 136 2HB LYS 18 HB1 LYS 18 -8.947 -1.085 11.411 137 1HG LYS 18 HG2 LYS 18 -9.333 1.119 11.668 138 2HG LYS 18 HG1 LYS 18 -10.333 1.224 10.218 139 1HD LYS 18 HD2 LYS 18 -12.022 1.445 11.692 140 2HD LYS 18 HD1 LYS 18 -11.900 -0.311 11.810 141 1HE LYS 18 HE2 LYS 18 -10.424 -0.090 13.737 142 2HE LYS 18 HE1 LYS 18 -10.499 1.667 13.606 143 1HZ LYS 18 HZ1 LYS 18 -12.133 1.400 15.110 144 2HZ LYS 18 HZ2 LYS 18 -12.459 -0.198 14.663 145 3HZ LYS 18 HZ3 LYS 18 -13.085 1.079 13.748 146 H SER 19 HN SER 19 -10.741 -2.364 8.090 147 HA SER 19 HA SER 19 -9.460 -4.851 8.664 148 1HB SER 19 HB2 SER 19 -11.979 -4.316 8.124 149 2HB SER 19 HB1 SER 19 -11.464 -4.559 6.455 150 HG SER 19 HG SER 19 -11.283 -6.400 8.604 151 H GLN 20 HN GLN 20 -9.342 -2.564 6.038 152 HA GLN 20 HA GLN 20 -8.064 -4.360 4.192 153 1HB GLN 20 HB2 GLN 20 -8.829 -1.484 4.207 154 2HB GLN 20 HB1 GLN 20 -7.552 -1.977 3.104 155 1HG GLN 20 HG2 GLN 20 -9.174 -2.482 1.678 156 2HG GLN 20 HG1 GLN 20 -9.491 -3.883 2.700 157 1HE2 GLN 20 HE21 GLN 20 -11.193 -3.792 4.199 158 2HE2 GLN 20 HE22 GLN 20 -12.480 -2.652 4.035 159 H GLN 21 HN GLN 21 -6.991 -1.520 6.060 160 HA GLN 21 HA GLN 21 -4.297 -1.616 5.338 161 1HB GLN 21 HB2 GLN 21 -3.877 -0.240 7.299 162 2HB GLN 21 HB1 GLN 21 -5.344 0.293 6.489 163 1HG GLN 21 HG2 GLN 21 -6.663 -0.990 8.150 164 2HG GLN 21 HG1 GLN 21 -5.162 -1.358 8.997 165 1HE2 GLN 21 HE21 GLN 21 -7.358 1.194 8.042 166 2HE2 GLN 21 HE22 GLN 21 -6.851 2.339 9.232 167 H SER 22 HN SER 22 -6.077 -3.384 7.786 168 HA SER 22 HA SER 22 -3.844 -4.412 9.186 169 1HB SER 22 HB2 SER 22 -6.749 -5.065 9.029 170 2HB SER 22 HB1 SER 22 -5.670 -6.284 9.709 171 HG SER 22 HG SER 22 -5.891 -5.144 11.464 172 H GLU 23 HN GLU 23 -5.863 -5.781 6.599 173 HA GLU 23 HA GLU 23 -4.560 -8.246 6.388 174 1HB GLU 23 HB2 GLU 23 -6.726 -7.154 5.205 175 2HB GLU 23 HB1 GLU 23 -5.573 -7.035 3.883 176 1HG GLU 23 HG2 GLU 23 -5.108 -9.540 4.456 177 2HG GLU 23 HG1 GLU 23 -6.703 -9.451 5.203 178 H VAL 24 HN VAL 24 -3.882 -5.137 4.856 179 HA VAL 24 HA VAL 24 -1.891 -6.031 3.078 180 HB VAL 24 HB VAL 24 -2.052 -3.300 4.356 181 1HG1 VAL 24 HG11 VAL 24 -0.899 -2.524 2.388 182 2HG1 VAL 24 HG12 VAL 24 -0.938 -4.141 1.683 183 3HG1 VAL 24 HG13 VAL 24 0.031 -3.830 3.123 184 1HG2 VAL 24 HG21 VAL 24 -3.197 -3.671 1.681 185 2HG2 VAL 24 HG22 VAL 24 -3.792 -2.736 3.052 186 3HG2 VAL 24 HG23 VAL 24 -4.084 -4.473 2.977 187 H THR 25 HN THR 25 -1.460 -4.252 6.145 188 HA THR 25 HA THR 25 1.308 -4.643 6.310 189 HB THR 25 HB THR 25 -0.675 -4.207 8.552 190 HG1 THR 25 HG1 THR 25 -0.504 -2.617 6.761 191 1HG2 THR 25 HG21 THR 25 1.924 -4.859 8.911 192 2HG2 THR 25 HG22 THR 25 0.983 -3.844 10.004 193 3HG2 THR 25 HG23 THR 25 2.025 -3.102 8.789 194 H ARG 26 HN ARG 26 -1.366 -6.686 7.213 195 HA ARG 26 HA ARG 26 -0.101 -8.413 9.003 196 1HB ARG 26 HB2 ARG 26 -2.489 -8.511 7.278 197 2HB ARG 26 HB1 ARG 26 -1.819 -10.080 7.701 198 1HG ARG 26 HG2 ARG 26 -1.894 -9.345 10.104 199 2HG ARG 26 HG1 ARG 26 -2.816 -7.942 9.562 200 1HD ARG 26 HD2 ARG 26 -4.183 -9.886 10.392 201 2HD ARG 26 HD1 ARG 26 -4.594 -9.298 8.781 202 HE ARG 26 HE ARG 26 -3.972 -11.324 7.928 203 1HH1 ARG 26 HH11 ARG 26 -2.642 -11.012 11.139 204 2HH1 ARG 26 HH12 ARG 26 -2.065 -12.644 11.194 205 1HH2 ARG 26 HH21 ARG 26 -3.215 -13.471 7.999 206 2HH2 ARG 26 HH22 ARG 26 -2.389 -14.040 9.411 207 H ILE 27 HN ILE 27 -0.488 -8.755 5.476 208 HA ILE 27 HA ILE 27 1.016 -11.115 5.230 209 HB ILE 27 HB ILE 27 0.723 -8.977 3.121 210 1HG1 ILE 27 HG12 ILE 27 -1.105 -11.275 3.041 211 2HG1 ILE 27 HG11 ILE 27 -1.364 -10.208 4.417 212 1HG2 ILE 27 HG21 ILE 27 0.679 -11.770 2.303 213 2HG2 ILE 27 HG22 ILE 27 2.187 -11.304 3.087 214 3HG2 ILE 27 HG23 ILE 27 1.620 -10.419 1.672 215 1HD1 ILE 27 HD11 ILE 27 -2.760 -9.305 2.838 216 2HD1 ILE 27 HD12 ILE 27 -1.656 -9.651 1.506 217 3HD1 ILE 27 HD13 ILE 27 -1.306 -8.330 2.622 218 H LEU 28 HN LEU 28 1.955 -7.720 4.711 219 HA LEU 28 HA LEU 28 4.631 -8.190 4.048 220 1HB LEU 28 HB2 LEU 28 3.382 -5.807 5.416 221 2HB LEU 28 HB1 LEU 28 4.999 -5.834 4.742 222 HG LEU 28 HG LEU 28 2.881 -6.605 2.852 223 1HD1 LEU 28 HD11 LEU 28 1.958 -4.706 4.368 224 2HD1 LEU 28 HD12 LEU 28 1.822 -4.571 2.615 225 3HD1 LEU 28 HD13 LEU 28 3.088 -3.691 3.471 226 1HD2 LEU 28 HD21 LEU 28 4.852 -6.327 1.760 227 2HD2 LEU 28 HD22 LEU 28 5.437 -5.108 2.893 228 3HD2 LEU 28 HD23 LEU 28 4.261 -4.668 1.654 229 H ASP 29 HN ASP 29 3.126 -7.524 7.188 230 HA ASP 29 HA ASP 29 5.445 -7.468 8.741 231 1HB ASP 29 HB2 ASP 29 3.172 -6.786 9.516 232 2HB ASP 29 HB1 ASP 29 2.726 -8.488 9.595 233 H GLY 30 HN GLY 30 3.259 -10.198 8.048 234 1HA GLY 30 HA2 GLY 30 4.666 -12.156 9.469 235 2HA GLY 30 HA1 GLY 30 3.619 -12.466 8.090 236 H LYS 31 HN LYS 31 5.239 -10.765 6.321 237 HA LYS 31 HA LYS 31 7.112 -12.771 5.486 238 1HB LYS 31 HB2 LYS 31 6.479 -10.016 4.425 239 2HB LYS 31 HB1 LYS 31 7.638 -11.106 3.675 240 1HG LYS 31 HG2 LYS 31 6.001 -12.579 2.975 241 2HG LYS 31 HG1 LYS 31 4.836 -12.012 4.173 242 1HD LYS 31 HD2 LYS 31 3.986 -11.024 2.290 243 2HD LYS 31 HD1 LYS 31 5.078 -9.751 2.839 244 1HE LYS 31 HE2 LYS 31 6.572 -10.114 1.151 245 2HE LYS 31 HE1 LYS 31 6.174 -11.827 1.021 246 1HZ LYS 31 HZ1 LYS 31 5.158 -11.109 -0.844 247 2HZ LYS 31 HZ2 LYS 31 4.942 -9.531 -0.275 248 3HZ LYS 31 HZ3 LYS 31 3.890 -10.759 0.221 249 H ARG 32 HN ARG 32 7.274 -10.290 7.723 250 HA ARG 32 HA ARG 32 8.972 -9.351 8.902 251 1HB ARG 32 HB2 ARG 32 10.242 -11.756 7.703 252 2HB ARG 32 HB1 ARG 32 11.317 -10.534 8.367 253 1HG ARG 32 HG2 ARG 32 9.050 -11.786 9.897 254 2HG ARG 32 HG1 ARG 32 10.719 -12.359 9.947 255 1HD ARG 32 HD2 ARG 32 11.316 -10.757 11.377 256 2HD ARG 32 HD1 ARG 32 10.550 -9.504 10.402 257 HE ARG 32 HE ARG 32 8.605 -11.003 11.814 258 1HH1 ARG 32 HH11 ARG 32 11.038 -8.542 12.268 259 2HH1 ARG 32 HH12 ARG 32 10.240 -7.828 13.629 260 1HH2 ARG 32 HH21 ARG 32 7.554 -10.065 13.603 261 2HH2 ARG 32 HH22 ARG 32 8.262 -8.692 14.388 262 H ILE 33 HN ILE 33 8.231 -8.027 6.631 263 HA ILE 33 HA ILE 33 10.572 -7.337 5.091 264 HB ILE 33 HB ILE 33 7.869 -5.996 5.057 265 1HG1 ILE 33 HG12 ILE 33 8.893 -8.310 3.399 266 2HG1 ILE 33 HG11 ILE 33 7.623 -8.392 4.615 267 1HG2 ILE 33 HG21 ILE 33 8.593 -5.450 2.704 268 2HG2 ILE 33 HG22 ILE 33 10.203 -6.007 3.159 269 3HG2 ILE 33 HG23 ILE 33 9.481 -4.628 3.987 270 1HD1 ILE 33 HD11 ILE 33 6.140 -7.138 3.285 271 2HD1 ILE 33 HD12 ILE 33 6.876 -8.329 2.213 272 3HD1 ILE 33 HD13 ILE 33 7.425 -6.653 2.179 273 H GLN 34 HN GLN 34 11.266 -5.106 4.870 274 HA GLN 34 HA GLN 34 11.047 -3.613 7.402 275 1HB GLN 34 HB2 GLN 34 13.422 -3.768 5.536 276 2HB GLN 34 HB1 GLN 34 13.339 -2.807 7.006 277 1HG GLN 34 HG2 GLN 34 14.103 -4.526 8.157 278 2HG GLN 34 HG1 GLN 34 12.666 -5.448 7.718 279 1HE2 GLN 34 HE21 GLN 34 13.132 -5.650 4.963 280 2HE2 GLN 34 HE22 GLN 34 14.491 -6.688 4.715 281 H TYR 35 HN TYR 35 9.229 -3.210 5.357 282 HA TYR 35 HA TYR 35 10.070 -0.892 3.831 283 1HB TYR 35 HB2 TYR 35 8.012 -1.073 2.675 284 2HB TYR 35 HB1 TYR 35 8.527 -2.731 2.960 285 HD1 TYR 35 HD1 TYR 35 5.891 -0.371 3.338 286 HD2 TYR 35 HD2 TYR 35 7.504 -3.938 5.004 287 HE1 TYR 35 HE1 TYR 35 3.731 -0.838 4.418 288 HE2 TYR 35 HE2 TYR 35 5.350 -4.414 6.086 289 HH TYR 35 HH TYR 35 3.306 -2.879 6.876 290 H GLN 36 HN GLN 36 8.911 1.138 3.900 291 HA GLN 36 HA GLN 36 8.285 1.909 6.631 292 1HB GLN 36 HB2 GLN 36 8.322 4.204 5.769 293 2HB GLN 36 HB1 GLN 36 9.782 3.334 5.322 294 1HG GLN 36 HG2 GLN 36 8.144 2.869 3.181 295 2HG GLN 36 HG1 GLN 36 7.711 4.513 3.646 296 1HE2 GLN 36 HE21 GLN 36 10.603 2.503 3.205 297 2HE2 GLN 36 HE22 GLN 36 11.544 3.725 2.427 298 H LEU 37 HN LEU 37 6.446 3.767 6.618 299 HA LEU 37 HA LEU 37 4.158 2.825 5.063 300 1HB LEU 37 HB2 LEU 37 4.361 1.821 7.460 301 2HB LEU 37 HB1 LEU 37 3.796 3.397 7.976 302 HG LEU 37 HG LEU 37 1.898 2.904 6.186 303 1HD1 LEU 37 HD11 LEU 37 1.276 0.506 6.292 304 2HD1 LEU 37 HD12 LEU 37 2.842 0.171 7.030 305 3HD1 LEU 37 HD13 LEU 37 2.760 0.812 5.389 306 1HD2 LEU 37 HD21 LEU 37 1.508 1.384 8.686 307 2HD2 LEU 37 HD22 LEU 37 0.528 2.662 7.967 308 3HD2 LEU 37 HD23 LEU 37 1.992 3.070 8.861 309 H VAL 38 HN VAL 38 3.958 4.635 3.895 310 HA VAL 38 HA VAL 38 4.141 7.249 5.092 311 HB VAL 38 HB VAL 38 3.285 7.995 2.783 312 1HG1 VAL 38 HG11 VAL 38 5.535 8.368 3.189 313 2HG1 VAL 38 HG12 VAL 38 5.568 7.351 1.749 314 3HG1 VAL 38 HG13 VAL 38 5.899 6.648 3.332 315 1HG2 VAL 38 HG21 VAL 38 3.418 6.440 0.981 316 2HG2 VAL 38 HG22 VAL 38 2.364 5.738 2.207 317 3HG2 VAL 38 HG23 VAL 38 4.025 5.170 2.041 318 H ASP 39 HN ASP 39 2.498 6.952 6.689 319 HA ASP 39 HA ASP 39 -0.240 6.602 5.877 320 1HB ASP 39 HB2 ASP 39 0.867 7.493 8.548 321 2HB ASP 39 HB1 ASP 39 -0.775 6.939 8.236 322 H ILE 40 HN ILE 40 -1.494 8.118 5.074 323 HA ILE 40 HA ILE 40 -0.707 10.865 5.003 324 HB ILE 40 HB ILE 40 -2.862 11.232 3.842 325 1HG1 ILE 40 HG12 ILE 40 -3.258 8.253 4.194 326 2HG1 ILE 40 HG11 ILE 40 -4.130 9.485 5.102 327 1HG2 ILE 40 HG21 ILE 40 -2.035 8.931 2.326 328 2HG2 ILE 40 HG22 ILE 40 -0.633 9.787 2.967 329 3HG2 ILE 40 HG23 ILE 40 -1.812 10.645 1.975 330 1HD1 ILE 40 HD11 ILE 40 -4.573 10.269 2.534 331 2HD1 ILE 40 HD12 ILE 40 -5.665 9.276 3.500 332 3HD1 ILE 40 HD13 ILE 40 -4.535 8.512 2.382 333 H SER 41 HN SER 41 -2.484 8.982 7.221 334 HA SER 41 HA SER 41 -4.358 10.825 8.182 335 1HB SER 41 HB2 SER 41 -4.224 9.486 10.312 336 2HB SER 41 HB1 SER 41 -4.505 8.523 8.861 337 HG SER 41 HG SER 41 -2.034 8.895 10.208 338 H GLN 42 HN GLN 42 -0.925 10.596 8.639 339 HA GLN 42 HA GLN 42 -0.614 12.054 10.999 340 1HB GLN 42 HB2 GLN 42 1.187 10.794 9.832 341 2HB GLN 42 HB1 GLN 42 1.228 12.050 8.603 342 1HG GLN 42 HG2 GLN 42 3.017 12.265 10.282 343 2HG GLN 42 HG1 GLN 42 1.961 13.675 10.206 344 1HE2 GLN 42 HE21 GLN 42 2.128 14.448 12.222 345 2HE2 GLN 42 HE22 GLN 42 1.708 13.574 13.652 346 H ASP 43 HN ASP 43 -0.039 13.317 7.716 347 HA ASP 43 HA ASP 43 -1.043 15.927 8.653 348 1HB ASP 43 HB2 ASP 43 1.490 15.587 8.026 349 2HB ASP 43 HB1 ASP 43 0.889 15.712 6.375 350 H ASN 44 HN ASN 44 -2.441 17.050 7.362 351 HA ASN 44 HA ASN 44 -4.073 15.611 5.590 352 1HB ASN 44 HB2 ASN 44 -3.827 18.447 6.433 353 2HB ASN 44 HB1 ASN 44 -4.684 18.143 4.925 354 1HD2 ASN 44 HD21 ASN 44 -5.666 19.137 7.489 355 2HD2 ASN 44 HD22 ASN 44 -6.923 18.053 7.968 356 H ALA 45 HN ALA 45 -1.161 17.422 5.081 357 HA ALA 45 HA ALA 45 -1.397 18.037 2.366 358 1HB ALA 45 HB1 ALA 45 0.393 19.077 3.374 359 2HB ALA 45 HB2 ALA 45 1.199 17.793 2.472 360 3HB ALA 45 HB3 ALA 45 0.915 17.610 4.203 361 H LEU 46 HN LEU 46 -0.404 15.079 3.983 362 HA LEU 46 HA LEU 46 0.564 13.725 1.705 363 1HB LEU 46 HB2 LEU 46 -0.526 12.770 4.342 364 2HB LEU 46 HB1 LEU 46 0.023 11.654 3.106 365 HG LEU 46 HG LEU 46 1.935 13.781 3.855 366 1HD1 LEU 46 HD11 LEU 46 2.578 12.033 5.770 367 2HD1 LEU 46 HD12 LEU 46 0.824 11.855 5.802 368 3HD1 LEU 46 HD13 LEU 46 1.554 13.439 6.059 369 1HD2 LEU 46 HD21 LEU 46 2.019 10.862 3.169 370 2HD2 LEU 46 HD22 LEU 46 3.423 11.697 3.835 371 3HD2 LEU 46 HD23 LEU 46 2.727 12.226 2.303 372 H ARG 47 HN ARG 47 -2.639 14.217 3.000 373 HA ARG 47 HA ARG 47 -3.963 12.195 1.529 374 1HB ARG 47 HB2 ARG 47 -4.947 14.766 2.766 375 2HB ARG 47 HB1 ARG 47 -6.014 13.606 1.988 376 1HG ARG 47 HG2 ARG 47 -5.469 11.924 3.600 377 2HG ARG 47 HG1 ARG 47 -4.216 12.946 4.308 378 1HD ARG 47 HD2 ARG 47 -5.960 14.586 4.927 379 2HD ARG 47 HD1 ARG 47 -7.184 13.481 4.301 380 HE ARG 47 HE ARG 47 -5.850 13.319 6.821 381 1HH1 ARG 47 HH11 ARG 47 -7.344 11.418 4.304 382 2HH1 ARG 47 HH12 ARG 47 -7.735 10.102 5.358 383 1HH2 ARG 47 HH21 ARG 47 -6.364 11.588 8.209 384 2HH2 ARG 47 HH22 ARG 47 -7.180 10.198 7.575 385 H ASP 48 HN ASP 48 -3.539 15.681 0.938 386 HA ASP 48 HA ASP 48 -4.726 15.444 -1.678 387 1HB ASP 48 HB2 ASP 48 -4.607 17.503 0.095 388 2HB ASP 48 HB1 ASP 48 -3.319 17.942 -1.022 389 H GLU 49 HN GLU 49 -1.861 14.619 -0.539 390 HA GLU 49 HA GLU 49 -0.318 15.500 -2.869 391 1HB GLU 49 HB2 GLU 49 0.733 15.874 -0.689 392 2HB GLU 49 HB1 GLU 49 0.588 14.163 -0.310 393 1HG GLU 49 HG2 GLU 49 2.661 13.979 -1.084 394 2HG GLU 49 HG1 GLU 49 1.946 14.132 -2.688 395 H MET 50 HN MET 50 -1.655 12.705 -1.286 396 HA MET 50 HA MET 50 -0.316 10.807 -3.002 397 1HB MET 50 HB2 MET 50 -1.085 10.431 -0.571 398 2HB MET 50 HB1 MET 50 -2.693 10.220 -1.251 399 1HG MET 50 HG2 MET 50 -0.346 8.625 -2.215 400 2HG MET 50 HG1 MET 50 -1.300 8.135 -0.816 401 1HE MET 50 HE1 MET 50 -3.507 6.624 -1.099 402 2HE MET 50 HE2 MET 50 -4.725 7.250 -2.211 403 3HE MET 50 HE3 MET 50 -3.995 8.317 -1.012 404 H ARG 51 HN ARG 51 -3.594 12.105 -2.624 405 HA ARG 51 HA ARG 51 -4.820 10.586 -4.639 406 1HB ARG 51 HB2 ARG 51 -5.464 12.979 -3.068 407 2HB ARG 51 HB1 ARG 51 -6.213 12.955 -4.659 408 1HG ARG 51 HG2 ARG 51 -7.816 11.902 -3.425 409 2HG ARG 51 HG1 ARG 51 -6.871 10.514 -3.969 410 1HD ARG 51 HD2 ARG 51 -5.622 10.574 -1.840 411 2HD ARG 51 HD1 ARG 51 -6.649 11.902 -1.300 412 HE ARG 51 HE ARG 51 -8.123 9.572 -2.095 413 1HH1 ARG 51 HH11 ARG 51 -6.410 11.098 0.535 414 2HH1 ARG 51 HH12 ARG 51 -7.267 10.229 1.762 415 1HH2 ARG 51 HH21 ARG 51 -9.252 8.428 -0.482 416 2HH2 ARG 51 HH22 ARG 51 -8.880 8.712 1.186 417 H ALA 52 HN ALA 52 -2.925 13.526 -4.752 418 HA ALA 52 HA ALA 52 -3.578 14.197 -7.452 419 1HB ALA 52 HB1 ALA 52 -2.848 16.034 -6.267 420 2HB ALA 52 HB2 ALA 52 -1.395 15.597 -7.165 421 3HB ALA 52 HB3 ALA 52 -1.554 15.140 -5.469 422 H LEU 53 HN LEU 53 -0.567 12.960 -5.980 423 HA LEU 53 HA LEU 53 0.734 12.403 -8.398 424 1HB LEU 53 HB2 LEU 53 1.071 11.186 -5.659 425 2HB LEU 53 HB1 LEU 53 2.150 10.865 -7.003 426 HG LEU 53 HG LEU 53 1.679 13.572 -5.750 427 1HD1 LEU 53 HD11 LEU 53 4.236 12.022 -5.672 428 2HD1 LEU 53 HD12 LEU 53 2.979 11.748 -4.466 429 3HD1 LEU 53 HD13 LEU 53 3.700 13.348 -4.640 430 1HD2 LEU 53 HD21 LEU 53 3.403 12.647 -8.031 431 2HD2 LEU 53 HD22 LEU 53 3.731 14.132 -7.138 432 3HD2 LEU 53 HD23 LEU 53 2.211 13.946 -8.012 433 H ALA 54 HN ALA 54 -1.609 10.591 -6.562 434 HA ALA 54 HA ALA 54 -1.170 8.099 -7.901 435 1HB ALA 54 HB1 ALA 54 -3.082 7.303 -6.713 436 2HB ALA 54 HB2 ALA 54 -3.616 8.948 -6.364 437 3HB ALA 54 HB3 ALA 54 -2.147 8.320 -5.616 438 H GLY 55 HN GLY 55 -2.872 10.978 -8.676 439 1HA GLY 55 HA2 GLY 55 -4.125 11.555 -10.512 440 2HA GLY 55 HA1 GLY 55 -3.550 10.073 -11.261 441 H ASN 56 HN ASN 56 -5.526 10.545 -8.353 442 HA ASN 56 HA ASN 56 -8.019 9.985 -9.444 443 1HB ASN 56 HB2 ASN 56 -8.182 7.576 -8.441 444 2HB ASN 56 HB1 ASN 56 -7.512 7.796 -10.052 445 1HD2 ASN 56 HD21 ASN 56 -6.452 7.770 -6.667 446 2HD2 ASN 56 HD22 ASN 56 -5.000 6.879 -6.951 447 HA PRO 57 HA PRO 57 -8.500 11.219 -5.229 448 1HB PRO 57 HB2 PRO 57 -10.926 12.466 -5.939 449 2HB PRO 57 HB1 PRO 57 -9.353 13.228 -5.764 450 1HG PRO 57 HG2 PRO 57 -10.793 12.985 -8.128 451 2HG PRO 57 HG1 PRO 57 -9.062 13.347 -8.002 452 1HD PRO 57 HD2 PRO 57 -10.424 10.749 -8.547 453 2HD PRO 57 HD1 PRO 57 -8.908 11.400 -9.209 454 H LYS 58 HN LYS 58 -9.561 8.639 -6.449 455 HA LYS 58 HA LYS 58 -11.876 8.322 -4.659 456 1HB LYS 58 HB2 LYS 58 -11.319 7.042 -7.333 457 2HB LYS 58 HB1 LYS 58 -12.536 6.432 -6.221 458 1HG LYS 58 HG2 LYS 58 -13.972 8.121 -6.646 459 2HG LYS 58 HG1 LYS 58 -12.684 9.307 -6.871 460 1HD LYS 58 HD2 LYS 58 -12.241 7.737 -9.008 461 2HD LYS 58 HD1 LYS 58 -13.981 7.511 -8.827 462 1HE LYS 58 HE2 LYS 58 -14.392 9.839 -9.037 463 2HE LYS 58 HE1 LYS 58 -12.678 10.222 -8.886 464 1HZ LYS 58 HZ1 LYS 58 -12.287 9.728 -11.034 465 2HZ LYS 58 HZ2 LYS 58 -13.936 10.061 -11.214 466 3HZ LYS 58 HZ3 LYS 58 -13.407 8.460 -11.080 467 H ALA 59 HN ALA 59 -8.685 7.497 -5.182 468 HA ALA 59 HA ALA 59 -8.533 4.788 -4.560 469 1HB ALA 59 HB1 ALA 59 -6.670 6.308 -5.331 470 2HB ALA 59 HB2 ALA 59 -6.249 5.152 -4.068 471 3HB ALA 59 HB3 ALA 59 -6.532 6.844 -3.656 472 H THR 60 HN THR 60 -6.959 4.527 -2.316 473 HA THR 60 HA THR 60 -8.510 5.536 -0.059 474 HB THR 60 HB THR 60 -8.315 3.035 0.809 475 HG1 THR 60 HG1 THR 60 -7.344 2.147 -0.977 476 1HG2 THR 60 HG21 THR 60 -10.556 2.562 0.094 477 2HG2 THR 60 HG22 THR 60 -10.453 3.798 -1.160 478 3HG2 THR 60 HG23 THR 60 -10.429 4.263 0.542 479 HA PRO 61 HA PRO 61 -4.833 5.828 2.333 480 1HB PRO 61 HB2 PRO 61 -5.698 3.513 4.012 481 2HB PRO 61 HB1 PRO 61 -5.118 5.108 4.505 482 1HG PRO 61 HG2 PRO 61 -7.712 4.528 4.594 483 2HG PRO 61 HG1 PRO 61 -7.155 6.130 4.080 484 1HD PRO 61 HD2 PRO 61 -8.245 3.890 2.454 485 2HD PRO 61 HD1 PRO 61 -8.385 5.641 2.203 486 HA PRO 62 HA PRO 62 -2.916 1.425 1.880 487 1HB PRO 62 HB2 PRO 62 -4.849 -0.225 0.461 488 2HB PRO 62 HB1 PRO 62 -4.072 -0.517 2.018 489 1HG PRO 62 HG2 PRO 62 -6.716 0.040 1.769 490 2HG PRO 62 HG1 PRO 62 -5.765 0.482 3.198 491 1HD PRO 62 HD2 PRO 62 -6.608 2.183 0.881 492 2HD PRO 62 HD1 PRO 62 -6.590 2.573 2.613 493 H GLN 63 HN GLN 63 -1.548 2.244 0.365 494 HA GLN 63 HA GLN 63 -2.073 1.528 -2.404 495 1HB GLN 63 HB2 GLN 63 -1.386 4.365 -1.610 496 2HB GLN 63 HB1 GLN 63 -1.500 3.758 -3.257 497 1HG GLN 63 HG2 GLN 63 -3.778 3.808 -1.295 498 2HG GLN 63 HG1 GLN 63 -3.482 5.038 -2.521 499 1HE2 GLN 63 HE21 GLN 63 -5.681 3.035 -2.037 500 2HE2 GLN 63 HE22 GLN 63 -5.880 2.246 -3.560 501 H ILE 64 HN ILE 64 -0.315 0.611 -3.216 502 HA ILE 64 HA ILE 64 2.203 0.824 -1.795 503 HB ILE 64 HB ILE 64 1.609 -0.779 -4.282 504 1HG1 ILE 64 HG12 ILE 64 1.586 -2.646 -2.391 505 2HG1 ILE 64 HG11 ILE 64 1.050 -1.297 -1.396 506 1HG2 ILE 64 HG21 ILE 64 3.503 -2.147 -2.941 507 2HG2 ILE 64 HG22 ILE 64 3.921 -0.497 -2.479 508 3HG2 ILE 64 HG23 ILE 64 3.856 -0.946 -4.183 509 1HD1 ILE 64 HD11 ILE 64 -0.319 -1.755 -3.987 510 2HD1 ILE 64 HD12 ILE 64 -0.951 -1.126 -2.465 511 3HD1 ILE 64 HD13 ILE 64 -0.654 -2.855 -2.650 512 H VAL 65 HN VAL 65 3.811 2.133 -2.337 513 HA VAL 65 HA VAL 65 3.930 3.172 -5.091 514 HB VAL 65 HB VAL 65 4.506 4.733 -2.569 515 1HG1 VAL 65 HG11 VAL 65 5.614 6.219 -3.793 516 2HG1 VAL 65 HG12 VAL 65 4.292 6.316 -4.956 517 3HG1 VAL 65 HG13 VAL 65 5.544 5.091 -5.146 518 1HG2 VAL 65 HG21 VAL 65 2.196 4.710 -4.476 519 2HG2 VAL 65 HG22 VAL 65 2.589 6.153 -3.542 520 3HG2 VAL 65 HG23 VAL 65 2.185 4.650 -2.713 521 H ASN 66 HN ASN 66 5.912 3.246 -6.028 522 HA ASN 66 HA ASN 66 8.148 2.160 -4.452 523 1HB ASN 66 HB2 ASN 66 7.120 1.077 -6.682 524 2HB ASN 66 HB1 ASN 66 8.278 2.178 -7.421 525 1HD2 ASN 66 HD21 ASN 66 8.126 -0.116 -4.716 526 2HD2 ASN 66 HD22 ASN 66 9.667 -0.835 -5.018 527 H GLY 67 HN GLY 67 8.588 4.329 -3.665 528 1HA GLY 67 HA2 GLY 67 10.314 5.937 -3.769 529 2HA GLY 67 HA1 GLY 67 10.350 5.753 -5.516 530 H ASP 68 HN ASP 68 8.684 6.764 -6.771 531 HA ASP 68 HA ASP 68 6.997 8.710 -5.418 532 1HB ASP 68 HB2 ASP 68 9.442 9.568 -6.221 533 2HB ASP 68 HB1 ASP 68 8.507 9.861 -7.684 534 H GLN 69 HN GLN 69 6.394 6.340 -6.863 535 HA GLN 69 HA GLN 69 4.749 7.510 -8.977 536 1HB GLN 69 HB2 GLN 69 7.033 5.895 -9.485 537 2HB GLN 69 HB1 GLN 69 5.612 4.939 -9.881 538 1HG GLN 69 HG2 GLN 69 4.977 7.293 -11.048 539 2HG GLN 69 HG1 GLN 69 6.733 7.305 -11.205 540 1HE2 GLN 69 HE21 GLN 69 3.783 5.686 -12.081 541 2HE2 GLN 69 HE22 GLN 69 4.446 4.736 -13.363 542 H TYR 70 HN TYR 70 3.032 5.989 -9.704 543 HA TYR 70 HA TYR 70 1.815 4.767 -7.399 544 1HB TYR 70 HB2 TYR 70 0.790 6.059 -9.539 545 2HB TYR 70 HB1 TYR 70 0.590 4.394 -10.070 546 HD1 TYR 70 HD1 TYR 70 0.317 5.755 -6.617 547 HD2 TYR 70 HD2 TYR 70 -1.720 4.066 -9.948 548 HE1 TYR 70 HE1 TYR 70 -1.730 5.576 -5.267 549 HE2 TYR 70 HE2 TYR 70 -3.773 3.885 -8.608 550 HH TYR 70 HH TYR 70 -4.782 4.851 -6.645 551 H CYS 71 HN CYS 71 2.748 2.890 -6.806 552 HA CYS 71 HA CYS 71 3.606 0.935 -8.737 553 1HB CYS 71 HB2 CYS 71 4.504 1.476 -6.297 554 2HB CYS 71 HB1 CYS 71 3.319 0.255 -5.847 555 HG CYS 71 HG CYS 71 5.209 -0.711 -8.019 556 H GLY 72 HN GLY 72 0.957 1.211 -6.382 557 1HA GLY 72 HA2 GLY 72 -0.898 -0.178 -7.925 558 2HA GLY 72 HA1 GLY 72 -0.131 -1.355 -6.872 559 H ASP 73 HN ASP 73 -2.340 -1.613 -6.061 560 HA ASP 73 HA ASP 73 -2.816 0.236 -3.841 561 1HB ASP 73 HB2 ASP 73 -5.235 -0.799 -5.231 562 2HB ASP 73 HB1 ASP 73 -4.995 0.715 -4.371 563 H TYR 74 HN TYR 74 -5.142 -0.950 -2.872 564 HA TYR 74 HA TYR 74 -4.082 -3.189 -1.500 565 1HB TYR 74 HB2 TYR 74 -5.714 -1.755 -0.429 566 2HB TYR 74 HB1 TYR 74 -6.906 -2.118 -1.672 567 HD1 TYR 74 HD1 TYR 74 -7.848 -4.444 -1.811 568 HD2 TYR 74 HD2 TYR 74 -5.447 -3.157 1.456 569 HE1 TYR 74 HE1 TYR 74 -8.686 -6.323 -0.464 570 HE2 TYR 74 HE2 TYR 74 -6.278 -5.033 2.813 571 HH TYR 74 HH TYR 74 -8.479 -6.501 2.772 572 H GLU 75 HN GLU 75 -6.663 -2.912 -3.943 573 HA GLU 75 HA GLU 75 -7.357 -5.573 -4.143 574 1HB GLU 75 HB2 GLU 75 -8.091 -3.252 -5.372 575 2HB GLU 75 HB1 GLU 75 -7.295 -4.101 -6.686 576 1HG GLU 75 HG2 GLU 75 -9.053 -5.868 -5.262 577 2HG GLU 75 HG1 GLU 75 -9.911 -4.419 -5.779 578 H LEU 76 HN LEU 76 -4.968 -3.815 -6.123 579 HA LEU 76 HA LEU 76 -4.124 -5.919 -7.714 580 1HB LEU 76 HB2 LEU 76 -2.507 -3.607 -6.644 581 2HB LEU 76 HB1 LEU 76 -1.997 -4.660 -7.949 582 HG LEU 76 HG LEU 76 -4.397 -3.829 -8.902 583 1HD1 LEU 76 HD11 LEU 76 -4.089 -2.202 -6.722 584 2HD1 LEU 76 HD12 LEU 76 -5.080 -1.844 -8.136 585 3HD1 LEU 76 HD13 LEU 76 -3.436 -1.215 -8.029 586 1HD2 LEU 76 HD21 LEU 76 -1.963 -3.782 -9.824 587 2HD2 LEU 76 HD22 LEU 76 -2.000 -2.094 -9.312 588 3HD2 LEU 76 HD23 LEU 76 -3.175 -2.685 -10.489 589 H PHE 77 HN PHE 77 -2.210 -4.677 -4.985 590 HA PHE 77 HA PHE 77 -0.396 -6.681 -4.723 591 1HB PHE 77 HB2 PHE 77 -0.270 -4.678 -3.378 592 2HB PHE 77 HB1 PHE 77 -1.748 -5.105 -2.525 593 HD1 PHE 77 HD1 PHE 77 1.816 -5.400 -2.608 594 HD2 PHE 77 HD2 PHE 77 -1.731 -7.171 -1.060 595 HE1 PHE 77 HE1 PHE 77 3.146 -6.558 -0.894 596 HE2 PHE 77 HE2 PHE 77 -0.407 -8.331 0.657 597 HZ PHE 77 HZ PHE 77 2.035 -8.026 0.742 598 H VAL 78 HN VAL 78 -3.515 -6.577 -2.986 599 HA VAL 78 HA VAL 78 -3.266 -9.118 -1.802 600 HB VAL 78 HB VAL 78 -5.841 -7.692 -2.480 601 1HG1 VAL 78 HG11 VAL 78 -6.291 -8.955 -0.147 602 2HG1 VAL 78 HG12 VAL 78 -5.144 -10.073 -0.886 603 3HG1 VAL 78 HG13 VAL 78 -6.641 -9.664 -1.724 604 1HG2 VAL 78 HG21 VAL 78 -4.732 -7.485 0.238 605 2HG2 VAL 78 HG22 VAL 78 -5.562 -6.280 -0.746 606 3HG2 VAL 78 HG23 VAL 78 -3.849 -6.605 -1.009 607 H GLU 79 HN GLU 79 -4.551 -8.083 -4.906 608 HA GLU 79 HA GLU 79 -5.756 -10.591 -5.549 609 1HB GLU 79 HB2 GLU 79 -6.518 -8.517 -6.588 610 2HB GLU 79 HB1 GLU 79 -4.945 -8.301 -7.343 611 1HG GLU 79 HG2 GLU 79 -5.475 -9.628 -9.039 612 2HG GLU 79 HG1 GLU 79 -6.078 -10.888 -7.963 613 H ALA 80 HN ALA 80 -2.551 -9.688 -5.316 614 HA ALA 80 HA ALA 80 -1.647 -11.406 -7.496 615 1HB ALA 80 HB1 ALA 80 0.111 -9.886 -5.595 616 2HB ALA 80 HB2 ALA 80 -0.651 -9.119 -6.988 617 3HB ALA 80 HB3 ALA 80 0.480 -10.451 -7.224 618 H VAL 81 HN VAL 81 -0.950 -11.055 -4.001 619 HA VAL 81 HA VAL 81 0.508 -13.367 -3.625 620 HB VAL 81 HB VAL 81 -1.503 -12.294 -1.643 621 1HG1 VAL 81 HG11 VAL 81 1.091 -13.368 -0.761 622 2HG1 VAL 81 HG12 VAL 81 -0.027 -14.547 -1.447 623 3HG1 VAL 81 HG13 VAL 81 -0.518 -13.565 -0.066 624 1HG2 VAL 81 HG21 VAL 81 1.240 -11.426 -1.275 625 2HG2 VAL 81 HG22 VAL 81 -0.251 -10.484 -1.291 626 3HG2 VAL 81 HG23 VAL 81 0.565 -10.868 -2.805 627 H GLU 82 HN GLU 82 -2.947 -12.973 -3.905 628 HA GLU 82 HA GLU 82 -3.874 -15.387 -2.914 629 1HB GLU 82 HB2 GLU 82 -5.712 -15.062 -4.705 630 2HB GLU 82 HB1 GLU 82 -5.526 -13.842 -3.452 631 1HG GLU 82 HG2 GLU 82 -5.180 -12.272 -4.962 632 2HG GLU 82 HG1 GLU 82 -3.849 -13.182 -5.674 633 H GLN 83 HN GLN 83 -2.818 -14.648 -6.233 634 HA GLN 83 HA GLN 83 -2.946 -17.503 -6.879 635 1HB GLN 83 HB2 GLN 83 -3.751 -15.312 -8.311 636 2HB GLN 83 HB1 GLN 83 -2.165 -15.623 -9.001 637 1HG GLN 83 HG2 GLN 83 -2.776 -17.736 -9.765 638 2HG GLN 83 HG1 GLN 83 -4.176 -17.818 -8.697 639 1HE2 GLN 83 HE21 GLN 83 -5.592 -15.671 -9.116 640 2HE2 GLN 83 HE22 GLN 83 -6.056 -15.494 -10.771 641 H ASN 84 HN ASN 84 -0.800 -15.639 -5.457 642 HA ASN 84 HA ASN 84 1.416 -15.873 -5.059 643 1HB ASN 84 HB2 ASN 84 0.823 -18.315 -6.141 644 2HB ASN 84 HB1 ASN 84 2.027 -17.716 -7.277 645 1HD2 ASN 84 HD21 ASN 84 4.055 -16.910 -6.319 646 2HD2 ASN 84 HD22 ASN 84 4.679 -17.725 -4.929 647 H THR 85 HN THR 85 0.073 -14.196 -7.159 648 HA THR 85 HA THR 85 2.133 -13.795 -9.138 649 HB THR 85 HB THR 85 -0.054 -11.815 -8.803 650 HG1 THR 85 HG1 THR 85 -1.384 -13.461 -8.550 651 1HG2 THR 85 HG21 THR 85 1.091 -11.433 -10.758 652 2HG2 THR 85 HG22 THR 85 -0.258 -12.426 -11.310 653 3HG2 THR 85 HG23 THR 85 1.333 -13.150 -11.078 654 H LEU 86 HN LEU 86 1.383 -12.651 -6.011 655 HA LEU 86 HA LEU 86 2.016 -10.106 -5.702 656 1HB LEU 86 HB2 LEU 86 1.817 -11.906 -3.925 657 2HB LEU 86 HB1 LEU 86 3.536 -12.171 -4.134 658 HG LEU 86 HG LEU 86 2.844 -10.694 -2.199 659 1HD1 LEU 86 HD11 LEU 86 5.084 -10.723 -3.700 660 2HD1 LEU 86 HD12 LEU 86 4.873 -9.729 -2.258 661 3HD1 LEU 86 HD13 LEU 86 4.612 -9.031 -3.856 662 1HD2 LEU 86 HD21 LEU 86 1.857 -8.689 -2.491 663 2HD2 LEU 86 HD22 LEU 86 1.267 -9.430 -3.978 664 3HD2 LEU 86 HD23 LEU 86 2.686 -8.383 -4.018 665 H GLN 87 HN GLN 87 4.463 -12.537 -6.556 666 HA GLN 87 HA GLN 87 6.713 -10.887 -6.358 667 1HB GLN 87 HB2 GLN 87 7.109 -13.206 -6.639 668 2HB GLN 87 HB1 GLN 87 6.132 -13.275 -8.100 669 1HG GLN 87 HG2 GLN 87 7.769 -12.115 -9.361 670 2HG GLN 87 HG1 GLN 87 8.675 -11.687 -7.912 671 1HE2 GLN 87 HE21 GLN 87 10.423 -12.642 -9.250 672 2HE2 GLN 87 HE22 GLN 87 10.693 -14.344 -9.128 673 H GLU 88 HN GLU 88 4.773 -11.667 -9.245 674 HA GLU 88 HA GLU 88 6.004 -10.121 -11.125 675 1HB GLU 88 HB2 GLU 88 3.731 -11.572 -11.089 676 2HB GLU 88 HB1 GLU 88 3.048 -9.953 -11.131 677 1HG GLU 88 HG2 GLU 88 5.210 -10.578 -13.056 678 2HG GLU 88 HG1 GLU 88 3.629 -11.309 -13.328 679 H PHE 89 HN PHE 89 4.158 -9.044 -8.403 680 HA PHE 89 HA PHE 89 4.105 -6.304 -9.415 681 1HB PHE 89 HB2 PHE 89 1.999 -7.165 -8.522 682 2HB PHE 89 HB1 PHE 89 2.783 -7.553 -6.996 683 HD1 PHE 89 HD1 PHE 89 3.842 -5.567 -5.715 684 HD2 PHE 89 HD2 PHE 89 0.931 -5.144 -8.787 685 HE1 PHE 89 HE1 PHE 89 3.267 -3.335 -4.855 686 HE2 PHE 89 HE2 PHE 89 0.350 -2.912 -7.936 687 HZ PHE 89 HZ PHE 89 1.519 -2.003 -5.968 688 H LEU 90 HN LEU 90 5.688 -8.334 -7.099 689 HA LEU 90 HA LEU 90 6.853 -6.032 -5.728 690 1HB LEU 90 HB2 LEU 90 6.229 -8.732 -4.990 691 2HB LEU 90 HB1 LEU 90 7.939 -8.446 -4.730 692 HG LEU 90 HG LEU 90 5.622 -6.961 -3.500 693 1HD1 LEU 90 HD11 LEU 90 6.843 -9.244 -2.691 694 2HD1 LEU 90 HD12 LEU 90 6.066 -8.087 -1.611 695 3HD1 LEU 90 HD13 LEU 90 7.810 -8.026 -1.861 696 1HD2 LEU 90 HD21 LEU 90 7.747 -5.890 -2.278 697 2HD2 LEU 90 HD22 LEU 90 6.988 -5.166 -3.696 698 3HD2 LEU 90 HD23 LEU 90 8.440 -6.150 -3.878 699 H LYS 91 HN LYS 91 8.183 -9.135 -6.898 700 HA LYS 91 HA LYS 91 10.726 -7.828 -7.411 701 1HB LYS 91 HB2 LYS 91 10.314 -10.683 -8.121 702 2HB LYS 91 HB1 LYS 91 11.694 -9.900 -7.367 703 1HG LYS 91 HG2 LYS 91 10.319 -9.693 -5.280 704 2HG LYS 91 HG1 LYS 91 9.109 -10.711 -6.063 705 1HD LYS 91 HD2 LYS 91 10.947 -12.409 -6.414 706 2HD LYS 91 HD1 LYS 91 11.946 -11.423 -5.345 707 1HE LYS 91 HE2 LYS 91 11.078 -12.822 -3.784 708 2HE LYS 91 HE1 LYS 91 9.781 -11.628 -3.805 709 1HZ LYS 91 HZ1 LYS 91 8.528 -13.454 -4.120 710 2HZ LYS 91 HZ2 LYS 91 9.794 -14.368 -4.770 711 3HZ LYS 91 HZ3 LYS 91 8.973 -13.253 -5.741 712 H LEU 92 HN LEU 92 7.939 -8.790 -9.178 713 HA LEU 92 HA LEU 92 7.427 -8.817 -11.396 714 1HB LEU 92 HB2 LEU 92 9.649 -6.782 -11.366 715 2HB LEU 92 HB1 LEU 92 8.662 -7.105 -12.778 716 HG LEU 92 HG LEU 92 6.714 -6.237 -11.751 717 1HD1 LEU 92 HD11 LEU 92 6.865 -7.235 -9.574 718 2HD1 LEU 92 HD12 LEU 92 6.702 -5.488 -9.380 719 3HD1 LEU 92 HD13 LEU 92 8.276 -6.256 -9.174 720 1HD2 LEU 92 HD21 LEU 92 8.177 -4.509 -12.547 721 2HD2 LEU 92 HD22 LEU 92 9.094 -4.533 -11.041 722 3HD2 LEU 92 HD23 LEU 92 7.424 -3.966 -11.047 723 H ALA 93 HN ALA 93 9.376 -10.775 -10.452 724 HA ALA 93 HA ALA 93 10.696 -12.426 -11.293 725 1HB ALA 93 HB1 ALA 93 10.671 -12.538 -13.913 726 2HB ALA 93 HB2 ALA 93 9.363 -11.369 -13.740 727 3HB ALA 93 HB3 ALA 93 9.234 -12.955 -12.981 728 H LEU 94 HN LEU 94 12.377 -10.896 -10.369 729 HA LEU 94 HA LEU 94 14.086 -9.714 -12.433 730 1HB LEU 94 HB2 LEU 94 15.275 -8.650 -10.584 731 2HB LEU 94 HB1 LEU 94 13.558 -8.298 -10.530 732 HG LEU 94 HG LEU 94 13.610 -10.423 -8.886 733 1HD1 LEU 94 HD11 LEU 94 15.784 -10.999 -8.627 734 2HD1 LEU 94 HD12 LEU 94 15.719 -9.724 -7.410 735 3HD1 LEU 94 HD13 LEU 94 16.375 -9.382 -9.011 736 1HD2 LEU 94 HD21 LEU 94 13.421 -8.890 -7.087 737 2HD2 LEU 94 HD22 LEU 94 12.748 -8.087 -8.506 738 3HD2 LEU 94 HD23 LEU 94 14.365 -7.668 -7.939 739 H GLU 95 HN GLU 95 13.851 -12.607 -12.081 740 HA GLU 95 HA GLU 95 16.108 -13.625 -10.711 741 1HB GLU 95 HB2 GLU 95 13.924 -14.775 -11.751 742 2HB GLU 95 HB1 GLU 95 15.048 -15.098 -13.064 743 1HG GLU 95 HG2 GLU 95 16.559 -15.895 -11.016 744 2HG GLU 95 HG1 GLU 95 14.965 -16.187 -10.320 Start of MODEL 2 1 1H MET 1 HT1 MET 1 18.630 -2.097 -0.489 2 2H MET 1 HT2 MET 1 17.715 -1.490 0.830 3 3H MET 1 HT3 MET 1 19.427 -1.561 0.931 4 HA MET 1 HA MET 1 18.994 0.626 0.521 5 1HB MET 1 HB2 MET 1 20.440 -0.874 -1.196 6 2HB MET 1 HB1 MET 1 19.280 -0.179 -2.319 7 1HG MET 1 HG2 MET 1 21.171 1.233 -2.316 8 2HG MET 1 HG1 MET 1 19.904 2.074 -1.425 9 1HE MET 1 HE1 MET 1 23.916 2.070 -0.514 10 2HE MET 1 HE2 MET 1 22.876 3.458 -0.197 11 3HE MET 1 HE3 MET 1 22.772 2.613 -1.741 12 H SER 2 HN SER 2 16.864 -1.495 -1.255 13 HA SER 2 HA SER 2 15.343 0.642 -2.445 14 1HB SER 2 HB2 SER 2 15.507 -1.506 -3.596 15 2HB SER 2 HB1 SER 2 14.762 -2.322 -2.221 16 HG SER 2 HG SER 2 12.845 -1.446 -2.715 17 H GLY 3 HN GLY 3 12.954 0.783 -2.076 18 1HA GLY 3 HA2 GLY 3 12.058 0.020 0.588 19 2HA GLY 3 HA1 GLY 3 12.209 1.746 0.294 20 H LEU 4 HN LEU 4 9.804 1.180 0.968 21 HA LEU 4 HA LEU 4 8.279 1.372 -1.508 22 1HB LEU 4 HB2 LEU 4 8.152 -0.883 0.378 23 2HB LEU 4 HB1 LEU 4 6.594 -0.199 -0.044 24 HG LEU 4 HG LEU 4 7.547 -0.443 -2.508 25 1HD1 LEU 4 HD11 LEU 4 9.216 -1.912 -2.844 26 2HD1 LEU 4 HD12 LEU 4 8.731 -2.937 -1.493 27 3HD1 LEU 4 HD13 LEU 4 9.668 -1.472 -1.197 28 1HD2 LEU 4 HD21 LEU 4 5.601 -1.621 -1.135 29 2HD2 LEU 4 HD22 LEU 4 6.672 -3.011 -1.313 30 3HD2 LEU 4 HD23 LEU 4 6.082 -2.165 -2.743 31 H ARG 5 HN ARG 5 6.711 2.866 -1.376 32 HA ARG 5 HA ARG 5 6.284 4.143 1.217 33 1HB ARG 5 HB2 ARG 5 5.137 5.166 -1.356 34 2HB ARG 5 HB1 ARG 5 5.627 6.063 0.073 35 1HG ARG 5 HG2 ARG 5 7.959 4.848 -0.850 36 2HG ARG 5 HG1 ARG 5 7.128 5.420 -2.297 37 1HD ARG 5 HD2 ARG 5 8.136 7.372 -1.820 38 2HD ARG 5 HD1 ARG 5 6.824 7.553 -0.656 39 HE ARG 5 HE ARG 5 9.106 6.164 0.396 40 1HH1 ARG 5 HH11 ARG 5 7.693 9.301 -0.187 41 2HH1 ARG 5 HH12 ARG 5 8.602 10.082 1.063 42 1HH2 ARG 5 HH21 ARG 5 10.302 7.188 2.041 43 2HH2 ARG 5 HH22 ARG 5 10.084 8.882 2.328 44 H VAL 6 HN VAL 6 4.940 2.448 2.061 45 HA VAL 6 HA VAL 6 2.416 1.873 0.791 46 HB VAL 6 HB VAL 6 3.256 1.178 3.606 47 1HG1 VAL 6 HG11 VAL 6 1.668 -0.742 3.181 48 2HG1 VAL 6 HG12 VAL 6 1.135 0.134 1.746 49 3HG1 VAL 6 HG13 VAL 6 0.928 0.851 3.344 50 1HG2 VAL 6 HG21 VAL 6 4.916 0.070 2.534 51 2HG2 VAL 6 HG22 VAL 6 4.051 0.035 0.998 52 3HG2 VAL 6 HG23 VAL 6 3.633 -1.111 2.271 53 H TYR 7 HN TYR 7 0.826 3.324 0.814 54 HA TYR 7 HA TYR 7 0.679 5.370 2.831 55 1HB TYR 7 HB2 TYR 7 -0.900 4.713 0.367 56 2HB TYR 7 HB1 TYR 7 -1.529 5.872 1.532 57 HD1 TYR 7 HD1 TYR 7 0.780 5.326 -1.177 58 HD2 TYR 7 HD2 TYR 7 -0.175 7.934 2.046 59 HE1 TYR 7 HE1 TYR 7 2.143 7.093 -2.210 60 HE2 TYR 7 HE2 TYR 7 1.185 9.708 1.022 61 HH TYR 7 HH TYR 7 1.959 10.266 -1.404 62 H SER 8 HN SER 8 -0.833 5.627 4.419 63 HA SER 8 HA SER 8 -2.979 3.706 4.732 64 1HB SER 8 HB2 SER 8 -0.913 2.658 5.766 65 2HB SER 8 HB1 SER 8 -0.940 3.967 6.948 66 HG SER 8 HG SER 8 -2.597 1.767 6.694 67 H THR 9 HN THR 9 -4.083 4.185 6.984 68 HA THR 9 HA THR 9 -4.099 7.100 7.395 69 HB THR 9 HB THR 9 -6.053 6.653 6.115 70 HG1 THR 9 HG1 THR 9 -6.898 6.639 8.818 71 1HG2 THR 9 HG21 THR 9 -6.228 4.201 7.737 72 2HG2 THR 9 HG22 THR 9 -6.654 4.487 6.050 73 3HG2 THR 9 HG23 THR 9 -7.753 4.991 7.335 74 H SER 10 HN SER 10 -3.124 7.262 9.334 75 HA SER 10 HA SER 10 -3.177 5.423 11.416 76 1HB SER 10 HB2 SER 10 -1.610 7.364 11.223 77 2HB SER 10 HB1 SER 10 -2.930 8.425 11.714 78 HG SER 10 HG SER 10 -2.105 6.212 13.271 79 H VAL 11 HN VAL 11 -5.422 8.003 10.621 80 HA VAL 11 HA VAL 11 -7.030 7.353 12.990 81 HB VAL 11 HB VAL 11 -7.433 9.652 11.074 82 1HG1 VAL 11 HG11 VAL 11 -9.096 10.386 12.432 83 2HG1 VAL 11 HG12 VAL 11 -8.355 9.718 13.886 84 3HG1 VAL 11 HG13 VAL 11 -9.232 8.662 12.779 85 1HG2 VAL 11 HG21 VAL 11 -5.245 9.844 12.126 86 2HG2 VAL 11 HG22 VAL 11 -5.975 9.618 13.716 87 3HG2 VAL 11 HG23 VAL 11 -6.353 11.057 12.769 88 H THR 12 HN THR 12 -7.594 5.298 11.884 89 HA THR 12 HA THR 12 -9.061 5.174 9.506 90 HB THR 12 HB THR 12 -10.035 3.038 10.744 91 HG1 THR 12 HG1 THR 12 -9.372 3.364 12.786 92 1HG2 THR 12 HG21 THR 12 -7.118 3.255 10.040 93 2HG2 THR 12 HG22 THR 12 -8.431 2.924 8.910 94 3HG2 THR 12 HG23 THR 12 -8.051 1.766 10.185 95 H GLY 13 HN GLY 13 -11.123 5.586 8.989 96 1HA GLY 13 HA2 GLY 13 -12.937 6.353 11.191 97 2HA GLY 13 HA1 GLY 13 -12.975 7.071 9.588 98 H SER 14 HN SER 14 -12.582 4.408 8.320 99 HA SER 14 HA SER 14 -15.386 3.641 8.327 100 1HB SER 14 HB2 SER 14 -13.079 3.278 6.494 101 2HB SER 14 HB1 SER 14 -14.294 2.000 6.490 102 HG SER 14 HG SER 14 -14.984 3.477 5.023 103 H ARG 15 HN ARG 15 -15.503 1.062 7.774 104 HA ARG 15 HA ARG 15 -14.267 -0.236 10.089 105 1HB ARG 15 HB2 ARG 15 -16.793 0.007 10.034 106 2HB ARG 15 HB1 ARG 15 -16.766 -1.138 8.699 107 1HG ARG 15 HG2 ARG 15 -15.350 -2.538 10.476 108 2HG ARG 15 HG1 ARG 15 -16.328 -1.577 11.587 109 1HD ARG 15 HD2 ARG 15 -18.290 -2.314 10.022 110 2HD ARG 15 HD1 ARG 15 -17.181 -3.609 9.572 111 HE ARG 15 HE ARG 15 -17.331 -3.428 12.378 112 1HH1 ARG 15 HH11 ARG 15 -19.241 -4.418 9.631 113 2HH1 ARG 15 HH12 ARG 15 -20.156 -5.583 10.528 114 1HH2 ARG 15 HH21 ARG 15 -18.532 -4.961 13.560 115 2HH2 ARG 15 HH22 ARG 15 -19.754 -5.891 12.758 116 H GLU 16 HN GLU 16 -14.384 -0.173 6.809 117 HA GLU 16 HA GLU 16 -13.437 -2.924 6.480 118 1HB GLU 16 HB2 GLU 16 -14.685 -0.920 4.671 119 2HB GLU 16 HB1 GLU 16 -13.541 -2.046 3.955 120 1HG GLU 16 HG2 GLU 16 -14.946 -3.857 5.154 121 2HG GLU 16 HG1 GLU 16 -16.175 -2.597 5.247 122 H ILE 17 HN ILE 17 -12.479 0.418 6.148 123 HA ILE 17 HA ILE 17 -10.048 -0.010 4.765 124 HB ILE 17 HB ILE 17 -10.767 2.258 6.628 125 1HG1 ILE 17 HG12 ILE 17 -11.125 1.980 3.635 126 2HG1 ILE 17 HG11 ILE 17 -12.415 1.997 4.833 127 1HG2 ILE 17 HG21 ILE 17 -8.420 2.277 6.249 128 2HG2 ILE 17 HG22 ILE 17 -9.119 3.512 5.201 129 3HG2 ILE 17 HG23 ILE 17 -8.630 1.957 4.528 130 1HD1 ILE 17 HD11 ILE 17 -12.542 4.164 4.299 131 2HD1 ILE 17 HD12 ILE 17 -10.901 4.209 3.655 132 3HD1 ILE 17 HD13 ILE 17 -11.170 4.329 5.394 133 H LYS 18 HN LYS 18 -10.952 -0.134 8.141 134 HA LYS 18 HA LYS 18 -8.398 0.012 9.295 135 1HB LYS 18 HB2 LYS 18 -10.909 -1.383 10.229 136 2HB LYS 18 HB1 LYS 18 -9.463 -1.216 11.215 137 1HG LYS 18 HG2 LYS 18 -9.684 1.135 11.312 138 2HG LYS 18 HG1 LYS 18 -10.915 1.140 10.047 139 1HD LYS 18 HD2 LYS 18 -12.345 1.239 11.787 140 2HD LYS 18 HD1 LYS 18 -12.068 -0.502 11.863 141 1HE LYS 18 HE2 LYS 18 -10.424 1.512 13.383 142 2HE LYS 18 HE1 LYS 18 -11.855 0.728 14.049 143 1HZ LYS 18 HZ1 LYS 18 -9.219 -0.400 13.464 144 2HZ LYS 18 HZ2 LYS 18 -10.564 -1.410 13.285 145 3HZ LYS 18 HZ3 LYS 18 -10.247 -0.682 14.779 146 H SER 19 HN SER 19 -10.225 -2.699 7.977 147 HA SER 19 HA SER 19 -8.262 -4.648 8.778 148 1HB SER 19 HB2 SER 19 -10.281 -5.244 6.662 149 2HB SER 19 HB1 SER 19 -9.735 -6.244 8.007 150 HG SER 19 HG SER 19 -10.937 -4.885 9.400 151 H GLN 20 HN GLN 20 -8.944 -2.718 5.956 152 HA GLN 20 HA GLN 20 -7.483 -4.157 4.045 153 1HB GLN 20 HB2 GLN 20 -8.537 -1.412 4.306 154 2HB GLN 20 HB1 GLN 20 -7.182 -1.594 3.200 155 1HG GLN 20 HG2 GLN 20 -9.318 -1.781 2.049 156 2HG GLN 20 HG1 GLN 20 -8.394 -3.279 1.950 157 1HE2 GLN 20 HE21 GLN 20 -11.373 -1.984 2.546 158 2HE2 GLN 20 HE22 GLN 20 -12.095 -3.311 3.384 159 H GLN 21 HN GLN 21 -6.494 -1.680 6.359 160 HA GLN 21 HA GLN 21 -3.777 -1.636 5.390 161 1HB GLN 21 HB2 GLN 21 -3.391 -0.154 7.373 162 2HB GLN 21 HB1 GLN 21 -4.642 0.414 6.275 163 1HG GLN 21 HG2 GLN 21 -6.270 0.201 7.805 164 2HG GLN 21 HG1 GLN 21 -5.587 -1.275 8.484 165 1HE2 GLN 21 HE21 GLN 21 -5.972 2.068 8.843 166 2HE2 GLN 21 HE22 GLN 21 -4.966 2.282 10.231 167 H SER 22 HN SER 22 -5.582 -3.221 7.923 168 HA SER 22 HA SER 22 -3.342 -4.076 9.453 169 1HB SER 22 HB2 SER 22 -4.872 -5.320 10.733 170 2HB SER 22 HB1 SER 22 -5.823 -3.950 10.161 171 HG SER 22 HG SER 22 -6.424 -5.434 8.372 172 H GLU 23 HN GLU 23 -5.174 -5.474 6.790 173 HA GLU 23 HA GLU 23 -4.007 -8.048 6.893 174 1HB GLU 23 HB2 GLU 23 -6.022 -6.843 5.434 175 2HB GLU 23 HB1 GLU 23 -4.791 -7.163 4.221 176 1HG GLU 23 HG2 GLU 23 -6.378 -8.993 4.373 177 2HG GLU 23 HG1 GLU 23 -4.760 -9.511 4.846 178 H VAL 24 HN VAL 24 -3.348 -5.285 4.733 179 HA VAL 24 HA VAL 24 -1.193 -6.389 3.364 180 HB VAL 24 HB VAL 24 -1.501 -3.470 4.077 181 1HG1 VAL 24 HG11 VAL 24 0.088 -3.000 2.555 182 2HG1 VAL 24 HG12 VAL 24 -0.434 -4.281 1.461 183 3HG1 VAL 24 HG13 VAL 24 0.591 -4.666 2.843 184 1HG2 VAL 24 HG21 VAL 24 -3.367 -5.019 2.768 185 2HG2 VAL 24 HG22 VAL 24 -2.446 -4.295 1.450 186 3HG2 VAL 24 HG23 VAL 24 -3.215 -3.266 2.658 187 H THR 25 HN THR 25 -1.209 -4.454 6.342 188 HA THR 25 HA THR 25 1.565 -4.308 6.696 189 HB THR 25 HB THR 25 0.925 -4.031 9.167 190 HG1 THR 25 HG1 THR 25 -1.277 -3.768 9.550 191 1HG2 THR 25 HG21 THR 25 0.936 -1.891 8.636 192 2HG2 THR 25 HG22 THR 25 -0.753 -2.017 8.146 193 3HG2 THR 25 HG23 THR 25 0.530 -2.277 6.964 194 H ARG 26 HN ARG 26 -0.709 -6.862 7.349 195 HA ARG 26 HA ARG 26 0.990 -8.360 9.089 196 1HB ARG 26 HB2 ARG 26 -1.645 -8.463 8.566 197 2HB ARG 26 HB1 ARG 26 -1.097 -9.763 7.515 198 1HG ARG 26 HG2 ARG 26 0.045 -10.777 9.486 199 2HG ARG 26 HG1 ARG 26 -0.720 -9.545 10.492 200 1HD ARG 26 HD2 ARG 26 -2.914 -10.382 9.370 201 2HD ARG 26 HD1 ARG 26 -1.963 -11.820 9.002 202 HE ARG 26 HE ARG 26 -3.039 -11.085 11.533 203 1HH1 ARG 26 HH11 ARG 26 -0.341 -12.694 10.014 204 2HH1 ARG 26 HH12 ARG 26 -0.010 -13.701 11.383 205 1HH2 ARG 26 HH21 ARG 26 -2.605 -12.408 13.335 206 2HH2 ARG 26 HH22 ARG 26 -1.296 -13.540 13.268 207 H ILE 27 HN ILE 27 0.231 -8.497 5.631 208 HA ILE 27 HA ILE 27 1.751 -10.805 5.056 209 HB ILE 27 HB ILE 27 1.153 -8.540 3.153 210 1HG1 ILE 27 HG12 ILE 27 -0.924 -9.233 4.196 211 2HG1 ILE 27 HG11 ILE 27 -0.871 -9.854 2.550 212 1HG2 ILE 27 HG21 ILE 27 1.395 -10.155 1.417 213 2HG2 ILE 27 HG22 ILE 27 1.526 -11.473 2.582 214 3HG2 ILE 27 HG23 ILE 27 2.815 -10.276 2.455 215 1HD1 ILE 27 HD11 ILE 27 0.251 -11.829 4.220 216 2HD1 ILE 27 HD12 ILE 27 -1.272 -11.878 3.332 217 3HD1 ILE 27 HD13 ILE 27 -1.235 -11.268 4.986 218 H LEU 28 HN LEU 28 2.509 -7.367 4.469 219 HA LEU 28 HA LEU 28 5.135 -7.753 3.603 220 1HB LEU 28 HB2 LEU 28 3.889 -5.390 5.006 221 2HB LEU 28 HB1 LEU 28 5.470 -5.365 4.248 222 HG LEU 28 HG LEU 28 3.097 -6.154 2.614 223 1HD1 LEU 28 HD11 LEU 28 2.383 -4.119 3.742 224 2HD1 LEU 28 HD12 LEU 28 2.709 -3.810 2.036 225 3HD1 LEU 28 HD13 LEU 28 3.877 -3.315 3.261 226 1HD2 LEU 28 HD21 LEU 28 5.848 -5.127 2.185 227 2HD2 LEU 28 HD22 LEU 28 4.605 -4.668 1.021 228 3HD2 LEU 28 HD23 LEU 28 4.954 -6.372 1.313 229 H ASP 29 HN ASP 29 3.886 -7.081 6.859 230 HA ASP 29 HA ASP 29 6.376 -6.951 8.156 231 1HB ASP 29 HB2 ASP 29 4.249 -6.164 9.154 232 2HB ASP 29 HB1 ASP 29 3.722 -7.837 9.310 233 H GLY 30 HN GLY 30 4.110 -9.667 7.753 234 1HA GLY 30 HA2 GLY 30 5.560 -11.589 9.169 235 2HA GLY 30 HA1 GLY 30 4.440 -11.936 7.860 236 H LYS 31 HN LYS 31 6.038 -10.325 5.955 237 HA LYS 31 HA LYS 31 7.871 -12.428 5.198 238 1HB LYS 31 HB2 LYS 31 6.819 -9.952 3.887 239 2HB LYS 31 HB1 LYS 31 8.262 -10.723 3.244 240 1HG LYS 31 HG2 LYS 31 7.101 -12.389 2.320 241 2HG LYS 31 HG1 LYS 31 6.078 -12.590 3.744 242 1HD LYS 31 HD2 LYS 31 4.485 -11.826 2.321 243 2HD LYS 31 HD1 LYS 31 5.111 -10.261 2.844 244 1HE LYS 31 HE2 LYS 31 6.739 -10.495 0.863 245 2HE LYS 31 HE1 LYS 31 5.636 -11.746 0.291 246 1HZ LYS 31 HZ1 LYS 31 5.377 -9.176 -0.318 247 2HZ LYS 31 HZ2 LYS 31 4.412 -9.229 1.070 248 3HZ LYS 31 HZ3 LYS 31 4.066 -10.243 -0.238 249 H ARG 32 HN ARG 32 8.095 -9.690 7.107 250 HA ARG 32 HA ARG 32 9.831 -8.553 8.026 251 1HB ARG 32 HB2 ARG 32 11.131 -11.055 7.051 252 2HB ARG 32 HB1 ARG 32 12.163 -9.738 7.592 253 1HG ARG 32 HG2 ARG 32 11.705 -10.111 9.743 254 2HG ARG 32 HG1 ARG 32 9.981 -10.329 9.435 255 1HD ARG 32 HD2 ARG 32 10.161 -12.570 9.293 256 2HD ARG 32 HD1 ARG 32 11.706 -12.494 8.447 257 HE ARG 32 HE ARG 32 12.001 -11.736 11.164 258 1HH1 ARG 32 HH11 ARG 32 11.571 -14.525 9.111 259 2HH1 ARG 32 HH12 ARG 32 12.356 -15.610 10.209 260 1HH2 ARG 32 HH21 ARG 32 13.034 -13.161 12.609 261 2HH2 ARG 32 HH22 ARG 32 13.187 -14.836 12.195 262 H ILE 33 HN ILE 33 8.942 -7.558 5.644 263 HA ILE 33 HA ILE 33 11.232 -7.026 3.943 264 HB ILE 33 HB ILE 33 8.442 -5.897 3.716 265 1HG1 ILE 33 HG12 ILE 33 9.638 -8.354 2.416 266 2HG1 ILE 33 HG11 ILE 33 8.366 -8.343 3.634 267 1HG2 ILE 33 HG21 ILE 33 10.802 -5.995 1.859 268 2HG2 ILE 33 HG22 ILE 33 9.918 -4.582 2.436 269 3HG2 ILE 33 HG23 ILE 33 9.160 -5.690 1.292 270 1HD1 ILE 33 HD11 ILE 33 6.771 -7.862 2.139 271 2HD1 ILE 33 HD12 ILE 33 7.941 -8.480 0.973 272 3HD1 ILE 33 HD13 ILE 33 7.799 -6.743 1.245 273 H GLN 34 HN GLN 34 11.811 -4.840 3.372 274 HA GLN 34 HA GLN 34 11.751 -3.075 5.710 275 1HB GLN 34 HB2 GLN 34 13.520 -3.024 3.256 276 2HB GLN 34 HB1 GLN 34 13.643 -1.914 4.614 277 1HG GLN 34 HG2 GLN 34 13.775 -4.806 5.220 278 2HG GLN 34 HG1 GLN 34 15.152 -4.088 4.384 279 1HE2 GLN 34 HE21 GLN 34 13.063 -3.686 7.205 280 2HE2 GLN 34 HE22 GLN 34 14.274 -2.994 8.225 281 H TYR 35 HN TYR 35 9.376 -2.978 4.613 282 HA TYR 35 HA TYR 35 9.232 -0.930 2.565 283 1HB TYR 35 HB2 TYR 35 6.846 -1.328 2.581 284 2HB TYR 35 HB1 TYR 35 7.684 -2.876 2.562 285 HD1 TYR 35 HD1 TYR 35 5.366 -0.760 4.336 286 HD2 TYR 35 HD2 TYR 35 7.837 -4.205 4.692 287 HE1 TYR 35 HE1 TYR 35 4.094 -1.460 6.319 288 HE2 TYR 35 HE2 TYR 35 6.571 -4.915 6.676 289 HH TYR 35 HH TYR 35 5.151 -3.788 8.455 290 H GLN 36 HN GLN 36 7.915 0.991 2.835 291 HA GLN 36 HA GLN 36 8.263 2.149 5.507 292 1HB GLN 36 HB2 GLN 36 8.941 3.120 3.023 293 2HB GLN 36 HB1 GLN 36 7.422 3.944 3.344 294 1HG GLN 36 HG2 GLN 36 8.877 5.428 4.257 295 2HG GLN 36 HG1 GLN 36 8.551 4.422 5.667 296 1HE2 GLN 36 HE21 GLN 36 10.914 6.054 4.501 297 2HE2 GLN 36 HE22 GLN 36 12.263 5.002 4.746 298 H LEU 37 HN LEU 37 6.498 4.058 5.783 299 HA LEU 37 HA LEU 37 3.860 3.072 5.035 300 1HB LEU 37 HB2 LEU 37 4.675 2.217 7.329 301 2HB LEU 37 HB1 LEU 37 4.398 3.856 7.877 302 HG LEU 37 HG LEU 37 2.292 2.085 6.632 303 1HD1 LEU 37 HD11 LEU 37 3.352 1.673 9.064 304 2HD1 LEU 37 HD12 LEU 37 1.658 1.375 8.677 305 3HD1 LEU 37 HD13 LEU 37 2.130 2.879 9.467 306 1HD2 LEU 37 HD21 LEU 37 2.323 4.881 7.676 307 2HD2 LEU 37 HD22 LEU 37 0.858 3.910 7.824 308 3HD2 LEU 37 HD23 LEU 37 1.548 4.228 6.233 309 H VAL 38 HN VAL 38 3.893 4.897 3.684 310 HA VAL 38 HA VAL 38 4.165 7.529 4.817 311 HB VAL 38 HB VAL 38 3.288 8.263 2.533 312 1HG1 VAL 38 HG11 VAL 38 5.455 7.549 1.401 313 2HG1 VAL 38 HG12 VAL 38 5.820 6.690 2.898 314 3HG1 VAL 38 HG13 VAL 38 5.597 8.440 2.916 315 1HG2 VAL 38 HG21 VAL 38 2.633 6.781 0.998 316 2HG2 VAL 38 HG22 VAL 38 2.562 5.612 2.317 317 3HG2 VAL 38 HG23 VAL 38 4.007 5.723 1.313 318 H ASP 39 HN ASP 39 2.579 7.273 6.467 319 HA ASP 39 HA ASP 39 -0.198 6.983 5.762 320 1HB ASP 39 HB2 ASP 39 1.121 6.471 8.031 321 2HB ASP 39 HB1 ASP 39 0.584 8.106 8.405 322 H ILE 40 HN ILE 40 -1.326 8.534 4.840 323 HA ILE 40 HA ILE 40 -0.496 11.258 4.803 324 HB ILE 40 HB ILE 40 -2.577 11.682 3.572 325 1HG1 ILE 40 HG12 ILE 40 -3.171 8.745 3.986 326 2HG1 ILE 40 HG11 ILE 40 -3.968 10.046 4.866 327 1HG2 ILE 40 HG21 ILE 40 -0.557 9.724 2.836 328 2HG2 ILE 40 HG22 ILE 40 -1.215 11.074 1.913 329 3HG2 ILE 40 HG23 ILE 40 -2.061 9.527 1.935 330 1HD1 ILE 40 HD11 ILE 40 -4.384 10.856 2.336 331 2HD1 ILE 40 HD12 ILE 40 -5.498 9.832 3.243 332 3HD1 ILE 40 HD13 ILE 40 -4.356 9.107 2.112 333 H SER 41 HN SER 41 -2.526 9.407 6.888 334 HA SER 41 HA SER 41 -4.281 11.352 7.841 335 1HB SER 41 HB2 SER 41 -4.231 8.836 8.358 336 2HB SER 41 HB1 SER 41 -3.054 9.239 9.608 337 HG SER 41 HG SER 41 -5.774 9.889 9.440 338 H GLN 42 HN GLN 42 -0.897 10.858 8.446 339 HA GLN 42 HA GLN 42 -0.632 12.316 10.834 340 1HB GLN 42 HB2 GLN 42 1.111 10.829 9.875 341 2HB GLN 42 HB1 GLN 42 1.391 12.015 8.609 342 1HG GLN 42 HG2 GLN 42 2.463 13.462 10.004 343 2HG GLN 42 HG1 GLN 42 1.588 12.909 11.431 344 1HE2 GLN 42 HE21 GLN 42 4.076 11.985 9.110 345 2HE2 GLN 42 HE22 GLN 42 4.968 10.976 10.193 346 H ASP 43 HN ASP 43 0.383 13.399 7.593 347 HA ASP 43 HA ASP 43 -0.168 16.160 8.430 348 1HB ASP 43 HB2 ASP 43 1.784 14.907 6.571 349 2HB ASP 43 HB1 ASP 43 1.173 16.500 6.134 350 H ASN 44 HN ASN 44 -1.636 17.401 7.404 351 HA ASN 44 HA ASN 44 -3.632 16.186 5.825 352 1HB ASN 44 HB2 ASN 44 -3.718 18.316 7.335 353 2HB ASN 44 HB1 ASN 44 -3.226 19.157 5.868 354 1HD2 ASN 44 HD21 ASN 44 -5.040 20.232 5.380 355 2HD2 ASN 44 HD22 ASN 44 -6.564 19.489 5.046 356 H ALA 45 HN ALA 45 -0.606 17.566 4.997 357 HA ALA 45 HA ALA 45 -1.257 18.348 2.327 358 1HB ALA 45 HB1 ALA 45 0.916 19.016 2.139 359 2HB ALA 45 HB2 ALA 45 1.533 17.645 3.061 360 3HB ALA 45 HB3 ALA 45 0.771 18.998 3.897 361 H LEU 46 HN LEU 46 0.043 15.439 3.822 362 HA LEU 46 HA LEU 46 0.834 14.079 1.517 363 1HB LEU 46 HB2 LEU 46 -0.093 13.201 4.225 364 2HB LEU 46 HB1 LEU 46 0.178 12.008 2.970 365 HG LEU 46 HG LEU 46 2.372 13.941 3.465 366 1HD1 LEU 46 HD11 LEU 46 1.395 13.143 5.718 367 2HD1 LEU 46 HD12 LEU 46 3.131 13.003 5.443 368 3HD1 LEU 46 HD13 LEU 46 2.096 11.583 5.286 369 1HD2 LEU 46 HD21 LEU 46 3.742 12.130 2.844 370 2HD2 LEU 46 HD22 LEU 46 2.348 12.056 1.766 371 3HD2 LEU 46 HD23 LEU 46 2.461 10.955 3.139 372 H ARG 47 HN ARG 47 -2.320 14.606 2.906 373 HA ARG 47 HA ARG 47 -3.722 12.621 1.456 374 1HB ARG 47 HB2 ARG 47 -4.609 15.199 2.750 375 2HB ARG 47 HB1 ARG 47 -5.729 14.090 1.970 376 1HG ARG 47 HG2 ARG 47 -5.171 12.348 3.534 377 2HG ARG 47 HG1 ARG 47 -3.919 13.358 4.261 378 1HD ARG 47 HD2 ARG 47 -5.807 13.479 5.690 379 2HD ARG 47 HD1 ARG 47 -5.730 15.011 4.821 380 HE ARG 47 HE ARG 47 -7.394 13.448 3.320 381 1HH1 ARG 47 HH11 ARG 47 -7.342 14.509 6.644 382 2HH1 ARG 47 HH12 ARG 47 -9.066 14.495 6.807 383 1HH2 ARG 47 HH21 ARG 47 -9.662 13.429 3.532 384 2HH2 ARG 47 HH22 ARG 47 -10.383 13.881 5.041 385 H ASP 48 HN ASP 48 -3.165 16.083 0.866 386 HA ASP 48 HA ASP 48 -4.455 15.919 -1.708 387 1HB ASP 48 HB2 ASP 48 -4.201 17.961 0.060 388 2HB ASP 48 HB1 ASP 48 -2.906 18.343 -1.070 389 H GLU 49 HN GLU 49 -1.597 14.959 -0.659 390 HA GLU 49 HA GLU 49 -0.091 15.768 -3.040 391 1HB GLU 49 HB2 GLU 49 0.635 15.033 -0.296 392 2HB GLU 49 HB1 GLU 49 1.638 14.260 -1.516 393 1HG GLU 49 HG2 GLU 49 2.820 16.172 -1.162 394 2HG GLU 49 HG1 GLU 49 1.781 16.687 -2.490 395 H MET 50 HN MET 50 -1.538 13.040 -1.445 396 HA MET 50 HA MET 50 -0.327 11.097 -3.218 397 1HB MET 50 HB2 MET 50 -0.979 10.732 -0.753 398 2HB MET 50 HB1 MET 50 -2.627 10.581 -1.346 399 1HG MET 50 HG2 MET 50 -0.452 8.925 -2.541 400 2HG MET 50 HG1 MET 50 -1.174 8.466 -1.000 401 1HE MET 50 HE1 MET 50 -3.900 8.777 -0.808 402 2HE MET 50 HE2 MET 50 -3.467 7.068 -0.867 403 3HE MET 50 HE3 MET 50 -4.815 7.670 -1.832 404 H ARG 51 HN ARG 51 -3.461 12.652 -2.754 405 HA ARG 51 HA ARG 51 -4.950 11.146 -4.581 406 1HB ARG 51 HB2 ARG 51 -5.215 13.779 -3.271 407 2HB ARG 51 HB1 ARG 51 -6.121 13.588 -4.765 408 1HG ARG 51 HG2 ARG 51 -7.571 12.988 -3.000 409 2HG ARG 51 HG1 ARG 51 -7.090 11.487 -3.792 410 1HD ARG 51 HD2 ARG 51 -5.246 11.378 -2.005 411 2HD ARG 51 HD1 ARG 51 -6.196 12.592 -1.150 412 HE ARG 51 HE ARG 51 -6.809 9.799 -1.443 413 1HH1 ARG 51 HH11 ARG 51 -8.135 12.973 -0.855 414 2HH1 ARG 51 HH12 ARG 51 -9.541 12.372 -0.041 415 1HH2 ARG 51 HH21 ARG 51 -8.657 9.007 -0.373 416 2HH2 ARG 51 HH22 ARG 51 -9.837 10.120 0.233 417 H ALA 52 HN ALA 52 -2.661 13.729 -5.063 418 HA ALA 52 HA ALA 52 -3.413 14.128 -7.833 419 1HB ALA 52 HB1 ALA 52 -1.433 15.367 -5.980 420 2HB ALA 52 HB2 ALA 52 -2.705 16.123 -6.940 421 3HB ALA 52 HB3 ALA 52 -1.227 15.561 -7.721 422 H LEU 53 HN LEU 53 -0.459 13.057 -6.139 423 HA LEU 53 HA LEU 53 0.950 12.241 -8.407 424 1HB LEU 53 HB2 LEU 53 1.102 11.128 -5.604 425 2HB LEU 53 HB1 LEU 53 2.302 10.881 -6.859 426 HG LEU 53 HG LEU 53 1.602 13.663 -6.003 427 1HD1 LEU 53 HD11 LEU 53 3.893 12.345 -4.684 428 2HD1 LEU 53 HD12 LEU 53 2.286 11.923 -4.092 429 3HD1 LEU 53 HD13 LEU 53 2.811 13.607 -4.093 430 1HD2 LEU 53 HD21 LEU 53 4.350 12.800 -6.640 431 2HD2 LEU 53 HD22 LEU 53 3.479 14.261 -7.107 432 3HD2 LEU 53 HD23 LEU 53 3.190 12.749 -7.968 433 H ALA 54 HN ALA 54 -1.547 10.643 -6.573 434 HA ALA 54 HA ALA 54 -1.102 8.051 -7.730 435 1HB ALA 54 HB1 ALA 54 -2.961 7.325 -6.476 436 2HB ALA 54 HB2 ALA 54 -3.603 8.962 -6.336 437 3HB ALA 54 HB3 ALA 54 -2.136 8.512 -5.465 438 H GLY 55 HN GLY 55 -2.525 10.894 -8.870 439 1HA GLY 55 HA2 GLY 55 -3.772 11.363 -10.739 440 2HA GLY 55 HA1 GLY 55 -3.297 9.773 -11.321 441 H ASN 56 HN ASN 56 -5.267 10.723 -8.525 442 HA ASN 56 HA ASN 56 -7.785 10.234 -9.553 443 1HB ASN 56 HB2 ASN 56 -8.115 7.933 -8.335 444 2HB ASN 56 HB1 ASN 56 -7.479 7.970 -9.974 445 1HD2 ASN 56 HD21 ASN 56 -6.230 8.260 -6.662 446 2HD2 ASN 56 HD22 ASN 56 -4.895 7.188 -6.892 447 HA PRO 57 HA PRO 57 -8.147 11.847 -5.460 448 1HB PRO 57 HB2 PRO 57 -10.527 13.143 -6.252 449 2HB PRO 57 HB1 PRO 57 -8.917 13.841 -6.153 450 1HG PRO 57 HG2 PRO 57 -10.390 13.471 -8.478 451 2HG PRO 57 HG1 PRO 57 -8.642 13.751 -8.394 452 1HD PRO 57 HD2 PRO 57 -10.142 11.192 -8.709 453 2HD PRO 57 HD1 PRO 57 -8.600 11.704 -9.432 454 H LYS 58 HN LYS 58 -9.343 9.220 -6.414 455 HA LYS 58 HA LYS 58 -11.528 9.138 -4.454 456 1HB LYS 58 HB2 LYS 58 -11.508 8.221 -7.278 457 2HB LYS 58 HB1 LYS 58 -12.305 7.175 -6.110 458 1HG LYS 58 HG2 LYS 58 -13.460 9.430 -5.389 459 2HG LYS 58 HG1 LYS 58 -13.046 9.896 -7.040 460 1HD LYS 58 HD2 LYS 58 -14.271 7.233 -6.735 461 2HD LYS 58 HD1 LYS 58 -15.318 8.602 -6.357 462 1HE LYS 58 HE2 LYS 58 -13.743 8.907 -8.813 463 2HE LYS 58 HE1 LYS 58 -14.911 7.587 -8.852 464 1HZ LYS 58 HZ1 LYS 58 -15.390 10.475 -8.553 465 2HZ LYS 58 HZ2 LYS 58 -16.514 9.373 -7.936 466 3HZ LYS 58 HZ3 LYS 58 -16.144 9.367 -9.586 467 H ALA 59 HN ALA 59 -8.495 8.172 -5.061 468 HA ALA 59 HA ALA 59 -8.443 5.408 -4.698 469 1HB ALA 59 HB1 ALA 59 -6.212 6.626 -3.371 470 2HB ALA 59 HB2 ALA 59 -6.566 7.491 -4.866 471 3HB ALA 59 HB3 ALA 59 -6.260 5.755 -4.904 472 H THR 60 HN THR 60 -6.828 4.985 -2.441 473 HA THR 60 HA THR 60 -8.398 5.826 -0.136 474 HB THR 60 HB THR 60 -8.282 3.264 0.542 475 HG1 THR 60 HG1 THR 60 -8.282 1.904 -1.112 476 1HG2 THR 60 HG21 THR 60 -10.370 4.293 -1.362 477 2HG2 THR 60 HG22 THR 60 -10.363 4.522 0.386 478 3HG2 THR 60 HG23 THR 60 -10.528 2.902 -0.290 479 HA PRO 61 HA PRO 61 -4.780 5.961 2.342 480 1HB PRO 61 HB2 PRO 61 -5.315 3.716 4.045 481 2HB PRO 61 HB1 PRO 61 -5.510 5.431 4.406 482 1HG PRO 61 HG2 PRO 61 -7.524 3.447 3.569 483 2HG PRO 61 HG1 PRO 61 -7.738 4.965 4.454 484 1HD PRO 61 HD2 PRO 61 -8.517 4.674 1.889 485 2HD PRO 61 HD1 PRO 61 -7.897 6.216 2.517 486 HA PRO 62 HA PRO 62 -2.873 1.537 1.910 487 1HB PRO 62 HB2 PRO 62 -4.409 -0.367 0.691 488 2HB PRO 62 HB1 PRO 62 -4.337 -0.138 2.442 489 1HG PRO 62 HG2 PRO 62 -6.384 0.830 0.486 490 2HG PRO 62 HG1 PRO 62 -6.619 0.126 2.097 491 1HD PRO 62 HD2 PRO 62 -6.765 2.779 1.669 492 2HD PRO 62 HD1 PRO 62 -6.112 2.107 3.176 493 H GLN 63 HN GLN 63 -1.575 2.458 0.372 494 HA GLN 63 HA GLN 63 -2.147 1.721 -2.395 495 1HB GLN 63 HB2 GLN 63 -1.468 4.530 -1.507 496 2HB GLN 63 HB1 GLN 63 -1.400 3.982 -3.175 497 1HG GLN 63 HG2 GLN 63 -3.923 3.658 -1.624 498 2HG GLN 63 HG1 GLN 63 -3.495 5.236 -2.281 499 1HE2 GLN 63 HE21 GLN 63 -5.623 3.198 -2.912 500 2HE2 GLN 63 HE22 GLN 63 -5.512 2.982 -4.623 501 H ILE 64 HN ILE 64 -0.479 0.416 -2.805 502 HA ILE 64 HA ILE 64 2.103 0.817 -1.595 503 HB ILE 64 HB ILE 64 1.384 -1.139 -3.776 504 1HG1 ILE 64 HG12 ILE 64 1.336 -1.609 -0.789 505 2HG1 ILE 64 HG11 ILE 64 -0.103 -1.298 -1.755 506 1HG2 ILE 64 HG21 ILE 64 3.795 -0.729 -3.345 507 2HG2 ILE 64 HG22 ILE 64 3.290 -2.387 -3.019 508 3HG2 ILE 64 HG23 ILE 64 3.548 -1.264 -1.683 509 1HD1 ILE 64 HD11 ILE 64 -0.060 -3.601 -1.565 510 2HD1 ILE 64 HD12 ILE 64 1.691 -3.686 -1.761 511 3HD1 ILE 64 HD13 ILE 64 0.664 -3.318 -3.147 512 H VAL 65 HN VAL 65 3.725 1.967 -2.385 513 HA VAL 65 HA VAL 65 3.793 2.535 -5.274 514 HB VAL 65 HB VAL 65 4.525 4.489 -3.090 515 1HG1 VAL 65 HG11 VAL 65 5.497 4.394 -5.638 516 2HG1 VAL 65 HG12 VAL 65 5.385 5.848 -4.648 517 3HG1 VAL 65 HG13 VAL 65 4.114 5.474 -5.812 518 1HG2 VAL 65 HG21 VAL 65 2.063 3.994 -3.373 519 2HG2 VAL 65 HG22 VAL 65 2.202 4.686 -4.989 520 3HG2 VAL 65 HG23 VAL 65 2.539 5.680 -3.572 521 H ASN 66 HN ASN 66 5.737 2.331 -6.251 522 HA ASN 66 HA ASN 66 7.914 1.244 -4.648 523 1HB ASN 66 HB2 ASN 66 6.934 0.469 -7.048 524 2HB ASN 66 HB1 ASN 66 8.243 1.520 -7.578 525 1HD2 ASN 66 HD21 ASN 66 10.096 1.076 -5.591 526 2HD2 ASN 66 HD22 ASN 66 10.644 -0.560 -5.677 527 H GLY 67 HN GLY 67 8.058 3.550 -3.744 528 1HA GLY 67 HA2 GLY 67 9.778 5.140 -3.490 529 2HA GLY 67 HA1 GLY 67 10.244 4.872 -5.163 530 H ASP 68 HN ASP 68 8.309 5.469 -6.723 531 HA ASP 68 HA ASP 68 6.714 7.701 -5.885 532 1HB ASP 68 HB2 ASP 68 9.243 8.427 -6.452 533 2HB ASP 68 HB1 ASP 68 8.558 8.483 -8.073 534 H GLN 69 HN GLN 69 6.439 5.085 -7.226 535 HA GLN 69 HA GLN 69 5.141 6.023 -9.689 536 1HB GLN 69 HB2 GLN 69 5.581 3.423 -10.248 537 2HB GLN 69 HB1 GLN 69 6.677 4.712 -10.716 538 1HG GLN 69 HG2 GLN 69 7.041 3.403 -8.070 539 2HG GLN 69 HG1 GLN 69 7.547 2.549 -9.526 540 1HE2 GLN 69 HE21 GLN 69 9.518 2.933 -10.241 541 2HE2 GLN 69 HE22 GLN 69 10.502 4.291 -9.827 542 H TYR 70 HN TYR 70 3.154 5.057 -10.209 543 HA TYR 70 HA TYR 70 1.669 4.147 -7.917 544 1HB TYR 70 HB2 TYR 70 0.945 5.636 -10.020 545 2HB TYR 70 HB1 TYR 70 0.468 4.058 -10.637 546 HD1 TYR 70 HD1 TYR 70 0.315 5.316 -7.136 547 HD2 TYR 70 HD2 TYR 70 -1.866 4.130 -10.591 548 HE1 TYR 70 HE1 TYR 70 -1.778 5.449 -5.853 549 HE2 TYR 70 HE2 TYR 70 -3.965 4.263 -9.318 550 HH TYR 70 HH TYR 70 -4.877 5.251 -7.363 551 H CYS 71 HN CYS 71 2.346 2.136 -7.332 552 HA CYS 71 HA CYS 71 2.683 0.030 -9.261 553 1HB CYS 71 HB2 CYS 71 3.756 0.445 -6.831 554 2HB CYS 71 HB1 CYS 71 2.437 -0.630 -6.379 555 HG CYS 71 HG CYS 71 4.961 -1.432 -7.884 556 H GLY 72 HN GLY 72 0.455 0.439 -6.480 557 1HA GLY 72 HA2 GLY 72 -1.841 -0.316 -7.911 558 2HA GLY 72 HA1 GLY 72 -1.179 -1.750 -7.144 559 H ASP 73 HN ASP 73 -3.005 -1.982 -5.841 560 HA ASP 73 HA ASP 73 -3.009 -0.219 -3.506 561 1HB ASP 73 HB2 ASP 73 -5.610 -1.105 -4.742 562 2HB ASP 73 HB1 ASP 73 -5.346 0.135 -3.521 563 H TYR 74 HN TYR 74 -5.198 -1.390 -2.210 564 HA TYR 74 HA TYR 74 -4.005 -3.662 -1.055 565 1HB TYR 74 HB2 TYR 74 -5.501 -2.317 0.256 566 2HB TYR 74 HB1 TYR 74 -6.816 -2.566 -0.886 567 HD1 TYR 74 HD1 TYR 74 -5.125 -3.831 2.028 568 HD2 TYR 74 HD2 TYR 74 -7.827 -4.867 -1.089 569 HE1 TYR 74 HE1 TYR 74 -5.888 -5.765 3.341 570 HE2 TYR 74 HE2 TYR 74 -8.599 -6.804 0.215 571 HH TYR 74 HH TYR 74 -7.815 -8.245 2.010 572 H GLU 75 HN GLU 75 -6.863 -3.388 -3.175 573 HA GLU 75 HA GLU 75 -7.557 -6.036 -3.352 574 1HB GLU 75 HB2 GLU 75 -8.406 -3.717 -4.486 575 2HB GLU 75 HB1 GLU 75 -7.716 -4.536 -5.877 576 1HG GLU 75 HG2 GLU 75 -9.325 -6.351 -4.351 577 2HG GLU 75 HG1 GLU 75 -10.242 -4.900 -4.748 578 H LEU 76 HN LEU 76 -5.430 -4.291 -5.627 579 HA LEU 76 HA LEU 76 -4.721 -6.444 -7.221 580 1HB LEU 76 HB2 LEU 76 -3.056 -4.045 -6.457 581 2HB LEU 76 HB1 LEU 76 -2.682 -5.141 -7.773 582 HG LEU 76 HG LEU 76 -5.201 -4.416 -8.455 583 1HD1 LEU 76 HD11 LEU 76 -4.224 -1.744 -7.787 584 2HD1 LEU 76 HD12 LEU 76 -4.713 -2.700 -6.389 585 3HD1 LEU 76 HD13 LEU 76 -5.853 -2.413 -7.703 586 1HD2 LEU 76 HD21 LEU 76 -4.140 -2.871 -10.048 587 2HD2 LEU 76 HD22 LEU 76 -3.281 -4.407 -9.932 588 3HD2 LEU 76 HD23 LEU 76 -2.639 -2.975 -9.127 589 H PHE 77 HN PHE 77 -2.652 -5.054 -4.671 590 HA PHE 77 HA PHE 77 -0.712 -6.973 -4.562 591 1HB PHE 77 HB2 PHE 77 -0.500 -4.966 -3.269 592 2HB PHE 77 HB1 PHE 77 -1.928 -5.355 -2.320 593 HD1 PHE 77 HD1 PHE 77 -1.826 -7.365 -0.778 594 HD2 PHE 77 HD2 PHE 77 1.625 -5.655 -2.588 595 HE1 PHE 77 HE1 PHE 77 -0.406 -8.453 0.911 596 HE2 PHE 77 HE2 PHE 77 3.052 -6.741 -0.904 597 HZ PHE 77 HZ PHE 77 2.037 -8.143 0.848 598 H VAL 78 HN VAL 78 -3.644 -6.943 -2.522 599 HA VAL 78 HA VAL 78 -3.206 -9.457 -1.347 600 HB VAL 78 HB VAL 78 -5.886 -8.147 -1.822 601 1HG1 VAL 78 HG11 VAL 78 -6.036 -9.401 0.577 602 2HG1 VAL 78 HG12 VAL 78 -4.967 -10.491 -0.306 603 3HG1 VAL 78 HG13 VAL 78 -6.564 -10.108 -0.950 604 1HG2 VAL 78 HG21 VAL 78 -3.811 -6.969 -0.528 605 2HG2 VAL 78 HG22 VAL 78 -4.585 -7.843 0.794 606 3HG2 VAL 78 HG23 VAL 78 -5.511 -6.682 -0.158 607 H GLU 79 HN GLU 79 -4.732 -8.514 -4.360 608 HA GLU 79 HA GLU 79 -5.854 -11.106 -4.870 609 1HB GLU 79 HB2 GLU 79 -6.829 -9.016 -5.786 610 2HB GLU 79 HB1 GLU 79 -5.401 -8.824 -6.795 611 1HG GLU 79 HG2 GLU 79 -6.371 -11.429 -7.246 612 2HG GLU 79 HG1 GLU 79 -7.763 -10.347 -7.281 613 H ALA 80 HN ALA 80 -2.731 -10.035 -4.874 614 HA ALA 80 HA ALA 80 -1.895 -11.587 -7.201 615 1HB ALA 80 HB1 ALA 80 0.192 -10.531 -7.026 616 2HB ALA 80 HB2 ALA 80 -0.084 -10.076 -5.345 617 3HB ALA 80 HB3 ALA 80 -0.982 -9.275 -6.633 618 H VAL 81 HN VAL 81 -1.107 -11.387 -3.722 619 HA VAL 81 HA VAL 81 0.545 -13.595 -3.524 620 HB VAL 81 HB VAL 81 -1.478 -12.777 -1.435 621 1HG1 VAL 81 HG11 VAL 81 -0.596 -14.626 -0.483 622 2HG1 VAL 81 HG12 VAL 81 0.715 -13.521 -0.071 623 3HG1 VAL 81 HG13 VAL 81 0.860 -14.576 -1.477 624 1HG2 VAL 81 HG21 VAL 81 -0.328 -10.916 -0.997 625 2HG2 VAL 81 HG22 VAL 81 0.446 -11.149 -2.564 626 3HG2 VAL 81 HG23 VAL 81 1.221 -11.753 -1.100 627 H GLU 82 HN GLU 82 -2.931 -13.449 -3.727 628 HA GLU 82 HA GLU 82 -3.645 -15.981 -2.845 629 1HB GLU 82 HB2 GLU 82 -5.566 -15.694 -4.539 630 2HB GLU 82 HB1 GLU 82 -5.416 -14.519 -3.239 631 1HG GLU 82 HG2 GLU 82 -5.281 -12.874 -4.700 632 2HG GLU 82 HG1 GLU 82 -3.874 -13.617 -5.459 633 H GLN 83 HN GLN 83 -2.762 -14.963 -6.142 634 HA GLN 83 HA GLN 83 -2.699 -17.777 -6.958 635 1HB GLN 83 HB2 GLN 83 -3.717 -15.581 -8.231 636 2HB GLN 83 HB1 GLN 83 -2.134 -15.717 -8.981 637 1HG GLN 83 HG2 GLN 83 -2.775 -18.209 -9.291 638 2HG GLN 83 HG1 GLN 83 -4.421 -17.632 -9.035 639 1HE2 GLN 83 HE21 GLN 83 -4.972 -15.652 -10.388 640 2HE2 GLN 83 HE22 GLN 83 -4.477 -15.699 -12.042 641 H ASN 84 HN ASN 84 -0.648 -15.840 -5.493 642 HA ASN 84 HA ASN 84 1.591 -15.934 -5.173 643 1HB ASN 84 HB2 ASN 84 1.137 -18.344 -6.391 644 2HB ASN 84 HB1 ASN 84 2.268 -17.591 -7.512 645 1HD2 ASN 84 HD21 ASN 84 2.652 -19.887 -5.788 646 2HD2 ASN 84 HD22 ASN 84 3.988 -19.507 -4.760 647 H THR 85 HN THR 85 0.067 -14.240 -7.134 648 HA THR 85 HA THR 85 2.017 -13.581 -9.148 649 HB THR 85 HB THR 85 -0.245 -11.744 -8.603 650 HG1 THR 85 HG1 THR 85 -1.403 -13.552 -8.311 651 1HG2 THR 85 HG21 THR 85 -0.171 -11.309 -10.793 652 2HG2 THR 85 HG22 THR 85 0.056 -13.002 -11.229 653 3HG2 THR 85 HG23 THR 85 1.433 -12.035 -10.700 654 H LEU 86 HN LEU 86 1.281 -12.649 -5.934 655 HA LEU 86 HA LEU 86 1.827 -10.097 -5.508 656 1HB LEU 86 HB2 LEU 86 1.715 -12.007 -3.826 657 2HB LEU 86 HB1 LEU 86 3.446 -12.167 -4.051 658 HG LEU 86 HG LEU 86 2.718 -10.837 -2.042 659 1HD1 LEU 86 HD11 LEU 86 4.673 -9.737 -2.099 660 2HD1 LEU 86 HD12 LEU 86 4.300 -8.941 -3.628 661 3HD1 LEU 86 HD13 LEU 86 4.903 -10.599 -3.620 662 1HD2 LEU 86 HD21 LEU 86 1.017 -9.594 -3.751 663 2HD2 LEU 86 HD22 LEU 86 2.341 -8.432 -3.681 664 3HD2 LEU 86 HD23 LEU 86 1.532 -8.936 -2.198 665 H GLN 87 HN GLN 87 4.390 -12.418 -6.364 666 HA GLN 87 HA GLN 87 6.551 -10.652 -6.183 667 1HB GLN 87 HB2 GLN 87 7.052 -12.959 -6.409 668 2HB GLN 87 HB1 GLN 87 6.095 -13.102 -7.878 669 1HG GLN 87 HG2 GLN 87 7.701 -11.884 -9.140 670 2HG GLN 87 HG1 GLN 87 8.586 -11.430 -7.686 671 1HE2 GLN 87 HE21 GLN 87 10.003 -12.858 -6.773 672 2HE2 GLN 87 HE22 GLN 87 10.451 -14.356 -7.508 673 H GLU 88 HN GLU 88 4.701 -11.599 -9.080 674 HA GLU 88 HA GLU 88 5.868 -9.991 -10.960 675 1HB GLU 88 HB2 GLU 88 3.842 -11.664 -11.086 676 2HB GLU 88 HB1 GLU 88 2.885 -10.198 -10.929 677 1HG GLU 88 HG2 GLU 88 3.023 -10.060 -13.140 678 2HG GLU 88 HG1 GLU 88 4.683 -9.527 -12.882 679 H PHE 89 HN PHE 89 3.905 -9.020 -8.292 680 HA PHE 89 HA PHE 89 3.588 -6.319 -9.368 681 1HB PHE 89 HB2 PHE 89 1.589 -7.404 -8.440 682 2HB PHE 89 HB1 PHE 89 2.410 -7.611 -6.898 683 HD1 PHE 89 HD1 PHE 89 3.260 -5.420 -5.768 684 HD2 PHE 89 HD2 PHE 89 0.258 -5.563 -8.780 685 HE1 PHE 89 HE1 PHE 89 2.421 -3.229 -5.030 686 HE2 PHE 89 HE2 PHE 89 -0.585 -3.374 -8.049 687 HZ PHE 89 HZ PHE 89 0.497 -2.201 -6.171 688 H LEU 90 HN LEU 90 5.341 -8.136 -6.979 689 HA LEU 90 HA LEU 90 6.292 -5.677 -5.704 690 1HB LEU 90 HB2 LEU 90 5.860 -8.399 -4.831 691 2HB LEU 90 HB1 LEU 90 7.482 -7.863 -4.436 692 HG LEU 90 HG LEU 90 4.890 -6.578 -3.582 693 1HD1 LEU 90 HD11 LEU 90 6.368 -8.655 -2.467 694 2HD1 LEU 90 HD12 LEU 90 5.111 -7.702 -1.679 695 3HD1 LEU 90 HD13 LEU 90 6.804 -7.231 -1.522 696 1HD2 LEU 90 HD21 LEU 90 7.702 -5.584 -3.530 697 2HD2 LEU 90 HD22 LEU 90 6.614 -5.175 -2.203 698 3HD2 LEU 90 HD23 LEU 90 6.204 -4.711 -3.855 699 H LYS 91 HN LYS 91 7.836 -8.762 -6.658 700 HA LYS 91 HA LYS 91 10.303 -7.281 -7.181 701 1HB LYS 91 HB2 LYS 91 10.122 -10.259 -7.368 702 2HB LYS 91 HB1 LYS 91 11.475 -9.253 -6.873 703 1HG LYS 91 HG2 LYS 91 8.974 -9.558 -5.235 704 2HG LYS 91 HG1 LYS 91 10.386 -10.602 -5.057 705 1HD LYS 91 HD2 LYS 91 10.374 -7.599 -4.746 706 2HD LYS 91 HD1 LYS 91 10.381 -8.765 -3.422 707 1HE LYS 91 HE2 LYS 91 12.498 -9.550 -5.035 708 2HE LYS 91 HE1 LYS 91 12.574 -7.788 -5.048 709 1HZ LYS 91 HZ1 LYS 91 13.674 -9.276 -3.153 710 2HZ LYS 91 HZ2 LYS 91 12.151 -9.036 -2.456 711 3HZ LYS 91 HZ3 LYS 91 13.108 -7.706 -2.875 712 H LEU 92 HN LEU 92 7.673 -8.210 -8.941 713 HA LEU 92 HA LEU 92 7.253 -8.632 -11.144 714 1HB LEU 92 HB2 LEU 92 9.770 -7.129 -11.769 715 2HB LEU 92 HB1 LEU 92 8.253 -7.141 -12.645 716 HG LEU 92 HG LEU 92 8.335 -5.025 -11.654 717 1HD1 LEU 92 HD11 LEU 92 6.635 -5.117 -9.789 718 2HD1 LEU 92 HD12 LEU 92 6.691 -6.873 -9.944 719 3HD1 LEU 92 HD13 LEU 92 6.166 -5.883 -11.306 720 1HD2 LEU 92 HD21 LEU 92 9.289 -4.473 -9.663 721 2HD2 LEU 92 HD22 LEU 92 10.191 -5.949 -10.009 722 3HD2 LEU 92 HD23 LEU 92 8.826 -5.991 -8.894 723 H ALA 93 HN ALA 93 9.019 -10.554 -9.751 724 HA ALA 93 HA ALA 93 10.264 -12.404 -10.208 725 1HB ALA 93 HB1 ALA 93 9.986 -13.405 -12.438 726 2HB ALA 93 HB2 ALA 93 9.220 -11.917 -12.996 727 3HB ALA 93 HB3 ALA 93 8.450 -12.889 -11.741 728 H LEU 94 HN LEU 94 11.528 -9.760 -10.381 729 HA LEU 94 HA LEU 94 13.549 -8.856 -10.895 730 1HB LEU 94 HB2 LEU 94 14.065 -11.434 -10.353 731 2HB LEU 94 HB1 LEU 94 14.600 -11.388 -12.023 732 HG LEU 94 HG LEU 94 16.123 -9.511 -11.446 733 1HD1 LEU 94 HD11 LEU 94 15.263 -8.448 -9.591 734 2HD1 LEU 94 HD12 LEU 94 16.576 -9.393 -8.887 735 3HD1 LEU 94 HD13 LEU 94 14.911 -9.960 -8.755 736 1HD2 LEU 94 HD21 LEU 94 17.367 -11.402 -11.477 737 2HD2 LEU 94 HD22 LEU 94 16.320 -12.243 -10.334 738 3HD2 LEU 94 HD23 LEU 94 17.493 -11.062 -9.752 739 H GLU 95 HN GLU 95 11.489 -8.754 -12.852 740 HA GLU 95 HA GLU 95 13.146 -8.415 -15.243 741 1HB GLU 95 HB2 GLU 95 10.680 -10.081 -15.000 742 2HB GLU 95 HB1 GLU 95 10.954 -9.200 -16.497 743 1HG GLU 95 HG2 GLU 95 12.856 -11.176 -15.256 744 2HG GLU 95 HG1 GLU 95 11.776 -11.497 -16.612 Start of MODEL 3 1 1H MET 1 HT1 MET 1 19.658 2.274 -4.101 2 2H MET 1 HT2 MET 1 19.366 2.400 -5.788 3 3H MET 1 HT3 MET 1 20.600 1.360 -5.203 4 HA MET 1 HA MET 1 18.825 0.012 -5.778 5 1HB MET 1 HB2 MET 1 19.309 0.553 -2.884 6 2HB MET 1 HB1 MET 1 18.032 -0.579 -3.310 7 1HG MET 1 HG2 MET 1 19.924 -1.614 -4.820 8 2HG MET 1 HG1 MET 1 20.971 -0.812 -3.651 9 1HE MET 1 HE1 MET 1 21.746 -3.874 -2.513 10 2HE MET 1 HE2 MET 1 21.395 -3.397 -4.174 11 3HE MET 1 HE3 MET 1 20.496 -4.718 -3.427 12 H SER 2 HN SER 2 16.566 -0.607 -5.493 13 HA SER 2 HA SER 2 14.846 1.750 -5.484 14 1HB SER 2 HB2 SER 2 14.298 -1.110 -6.314 15 2HB SER 2 HB1 SER 2 13.141 0.215 -6.441 16 HG SER 2 HG SER 2 14.277 -0.155 -8.403 17 H GLY 3 HN GLY 3 12.872 1.821 -4.294 18 1HA GLY 3 HA2 GLY 3 12.719 -0.054 -2.028 19 2HA GLY 3 HA1 GLY 3 12.704 1.678 -1.735 20 H LEU 4 HN LEU 4 10.658 -0.085 -0.931 21 HA LEU 4 HA LEU 4 8.451 0.694 -2.721 22 1HB LEU 4 HB2 LEU 4 9.041 -1.809 -2.062 23 2HB LEU 4 HB1 LEU 4 8.099 -1.406 -0.639 24 HG LEU 4 HG LEU 4 6.892 -0.784 -3.282 25 1HD1 LEU 4 HD11 LEU 4 5.979 -3.247 -3.085 26 2HD1 LEU 4 HD12 LEU 4 7.545 -3.520 -2.321 27 3HD1 LEU 4 HD13 LEU 4 7.464 -2.886 -3.965 28 1HD2 LEU 4 HD21 LEU 4 6.039 -1.428 -0.521 29 2HD2 LEU 4 HD22 LEU 4 4.979 -1.944 -1.833 30 3HD2 LEU 4 HD23 LEU 4 5.402 -0.241 -1.659 31 H ARG 5 HN ARG 5 6.914 2.017 -1.970 32 HA ARG 5 HA ARG 5 6.829 2.539 0.929 33 1HB ARG 5 HB2 ARG 5 6.292 4.893 0.407 34 2HB ARG 5 HB1 ARG 5 7.884 4.426 -0.176 35 1HG ARG 5 HG2 ARG 5 6.651 3.971 -2.412 36 2HG ARG 5 HG1 ARG 5 5.398 5.005 -1.723 37 1HD ARG 5 HD2 ARG 5 8.262 5.879 -1.746 38 2HD ARG 5 HD1 ARG 5 7.253 6.071 -3.180 39 HE ARG 5 HE ARG 5 6.034 7.123 -0.812 40 1HH1 ARG 5 HH11 ARG 5 8.305 7.812 -3.371 41 2HH1 ARG 5 HH12 ARG 5 8.112 9.529 -3.250 42 1HH2 ARG 5 HH21 ARG 5 5.779 9.380 -0.651 43 2HH2 ARG 5 HH22 ARG 5 6.678 10.419 -1.705 44 H VAL 6 HN VAL 6 5.002 1.601 1.603 45 HA VAL 6 HA VAL 6 2.616 1.672 -0.074 46 HB VAL 6 HB VAL 6 2.911 0.363 2.627 47 1HG1 VAL 6 HG11 VAL 6 0.678 0.269 2.289 48 2HG1 VAL 6 HG12 VAL 6 1.116 -1.113 1.285 49 3HG1 VAL 6 HG13 VAL 6 0.823 0.460 0.542 50 1HG2 VAL 6 HG21 VAL 6 3.291 -0.928 -0.071 51 2HG2 VAL 6 HG22 VAL 6 3.449 -1.695 1.509 52 3HG2 VAL 6 HG23 VAL 6 4.607 -0.464 1.007 53 H TYR 7 HN TYR 7 0.834 2.861 0.348 54 HA TYR 7 HA TYR 7 1.042 4.846 2.470 55 1HB TYR 7 HB2 TYR 7 -0.695 4.573 0.030 56 2HB TYR 7 HB1 TYR 7 -1.093 5.724 1.301 57 HD1 TYR 7 HD1 TYR 7 0.349 7.657 1.724 58 HD2 TYR 7 HD2 TYR 7 1.188 4.935 -1.436 59 HE1 TYR 7 HE1 TYR 7 1.893 9.294 0.732 60 HE2 TYR 7 HE2 TYR 7 2.736 6.564 -2.435 61 HH TYR 7 HH TYR 7 4.078 8.495 -1.743 62 H SER 8 HN SER 8 -0.518 5.184 4.043 63 HA SER 8 HA SER 8 -2.800 3.439 4.263 64 1HB SER 8 HB2 SER 8 -0.531 2.349 5.243 65 2HB SER 8 HB1 SER 8 -1.069 3.249 6.661 66 HG SER 8 HG SER 8 -2.035 0.951 5.633 67 H THR 9 HN THR 9 -3.891 3.825 6.488 68 HA THR 9 HA THR 9 -3.638 6.689 7.136 69 HB THR 9 HB THR 9 -5.721 6.421 6.049 70 HG1 THR 9 HG1 THR 9 -6.335 6.182 8.802 71 1HG2 THR 9 HG21 THR 9 -6.271 4.051 7.817 72 2HG2 THR 9 HG22 THR 9 -5.928 4.005 6.087 73 3HG2 THR 9 HG23 THR 9 -7.402 4.775 6.674 74 H SER 10 HN SER 10 -2.456 6.688 8.969 75 HA SER 10 HA SER 10 -2.436 4.742 10.960 76 1HB SER 10 HB2 SER 10 -1.574 7.579 10.773 77 2HB SER 10 HB1 SER 10 -1.751 6.909 12.394 78 HG SER 10 HG SER 10 0.118 6.032 12.064 79 H VAL 11 HN VAL 11 -4.617 7.416 10.435 80 HA VAL 11 HA VAL 11 -6.243 6.461 12.688 81 HB VAL 11 HB VAL 11 -5.888 9.390 12.052 82 1HG1 VAL 11 HG11 VAL 11 -7.999 8.996 13.060 83 2HG1 VAL 11 HG12 VAL 11 -6.942 9.617 14.328 84 3HG1 VAL 11 HG13 VAL 11 -7.302 7.893 14.247 85 1HG2 VAL 11 HG21 VAL 11 -4.747 7.969 14.442 86 2HG2 VAL 11 HG22 VAL 11 -4.416 9.606 13.878 87 3HG2 VAL 11 HG23 VAL 11 -3.823 8.221 12.962 88 H THR 12 HN THR 12 -8.140 5.821 11.926 89 HA THR 12 HA THR 12 -9.485 7.446 9.895 90 HB THR 12 HB THR 12 -8.390 5.639 8.666 91 HG1 THR 12 HG1 THR 12 -10.517 6.303 8.045 92 1HG2 THR 12 HG21 THR 12 -8.494 3.431 9.129 93 2HG2 THR 12 HG22 THR 12 -10.079 3.549 9.893 94 3HG2 THR 12 HG23 THR 12 -8.635 4.050 10.774 95 H GLY 13 HN GLY 13 -11.801 7.030 9.754 96 1HA GLY 13 HA2 GLY 13 -12.859 6.007 12.317 97 2HA GLY 13 HA1 GLY 13 -13.567 7.349 11.429 98 H SER 14 HN SER 14 -12.410 4.486 9.808 99 HA SER 14 HA SER 14 -15.201 3.801 9.164 100 1HB SER 14 HB2 SER 14 -12.879 2.854 7.520 101 2HB SER 14 HB1 SER 14 -14.544 3.163 7.027 102 HG SER 14 HG SER 14 -12.478 5.020 7.536 103 H ARG 15 HN ARG 15 -15.509 1.438 8.605 104 HA ARG 15 HA ARG 15 -14.069 -0.199 10.557 105 1HB ARG 15 HB2 ARG 15 -16.879 -0.427 9.526 106 2HB ARG 15 HB1 ARG 15 -16.116 -1.659 10.522 107 1HG ARG 15 HG2 ARG 15 -17.131 -0.531 12.184 108 2HG ARG 15 HG1 ARG 15 -15.693 0.486 12.073 109 1HD ARG 15 HD2 ARG 15 -16.940 1.945 10.479 110 2HD ARG 15 HD1 ARG 15 -18.381 0.982 10.802 111 HE ARG 15 HE ARG 15 -17.285 3.029 12.452 112 1HH1 ARG 15 HH11 ARG 15 -19.028 0.007 12.543 113 2HH1 ARG 15 HH12 ARG 15 -19.790 0.349 14.060 114 1HH2 ARG 15 HH21 ARG 15 -18.286 3.480 14.447 115 2HH2 ARG 15 HH22 ARG 15 -19.369 2.320 15.141 116 H GLU 16 HN GLU 16 -14.641 0.257 7.354 117 HA GLU 16 HA GLU 16 -13.947 -2.485 6.597 118 1HB GLU 16 HB2 GLU 16 -14.680 -0.262 4.700 119 2HB GLU 16 HB1 GLU 16 -14.732 -1.996 4.414 120 1HG GLU 16 HG2 GLU 16 -16.528 -2.105 6.184 121 2HG GLU 16 HG1 GLU 16 -16.576 -0.344 6.111 122 H ILE 17 HN ILE 17 -12.819 0.821 6.460 123 HA ILE 17 HA ILE 17 -10.629 0.383 4.711 124 HB ILE 17 HB ILE 17 -10.960 2.539 6.801 125 1HG1 ILE 17 HG12 ILE 17 -11.713 2.524 3.869 126 2HG1 ILE 17 HG11 ILE 17 -12.842 2.471 5.219 127 1HG2 ILE 17 HG21 ILE 17 -8.934 1.996 4.738 128 2HG2 ILE 17 HG22 ILE 17 -8.814 2.921 6.234 129 3HG2 ILE 17 HG23 ILE 17 -9.526 3.656 4.798 130 1HD1 ILE 17 HD11 ILE 17 -11.411 4.733 4.044 131 2HD1 ILE 17 HD12 ILE 17 -11.422 4.703 5.808 132 3HD1 ILE 17 HD13 ILE 17 -12.943 4.681 4.915 133 H LYS 18 HN LYS 18 -11.064 0.114 8.178 134 HA LYS 18 HA LYS 18 -8.344 -0.013 8.910 135 1HB LYS 18 HB2 LYS 18 -10.934 -0.714 10.173 136 2HB LYS 18 HB1 LYS 18 -9.504 -1.491 10.838 137 1HG LYS 18 HG2 LYS 18 -8.591 0.504 11.557 138 2HG LYS 18 HG1 LYS 18 -9.541 1.466 10.422 139 1HD LYS 18 HD2 LYS 18 -11.298 1.603 11.822 140 2HD LYS 18 HD1 LYS 18 -11.129 -0.071 12.355 141 1HE LYS 18 HE2 LYS 18 -10.744 1.466 14.202 142 2HE LYS 18 HE1 LYS 18 -9.270 0.582 13.806 143 1HZ LYS 18 HZ1 LYS 18 -9.726 3.207 12.572 144 2HZ LYS 18 HZ2 LYS 18 -8.270 2.444 12.967 145 3HZ LYS 18 HZ3 LYS 18 -9.214 3.143 14.183 146 H SER 19 HN SER 19 -10.571 -2.388 7.651 147 HA SER 19 HA SER 19 -8.965 -4.667 8.282 148 1HB SER 19 HB2 SER 19 -11.493 -4.606 7.794 149 2HB SER 19 HB1 SER 19 -11.033 -4.571 6.092 150 HG SER 19 HG SER 19 -11.404 -6.702 7.254 151 H GLN 20 HN GLN 20 -9.133 -2.410 5.634 152 HA GLN 20 HA GLN 20 -7.764 -3.952 3.701 153 1HB GLN 20 HB2 GLN 20 -7.660 -0.946 3.880 154 2HB GLN 20 HB1 GLN 20 -7.570 -1.953 2.442 155 1HG GLN 20 HG2 GLN 20 -9.978 -1.415 4.155 156 2HG GLN 20 HG1 GLN 20 -9.709 -0.925 2.484 157 1HE2 GLN 20 HE21 GLN 20 -11.976 -2.286 3.252 158 2HE2 GLN 20 HE22 GLN 20 -11.957 -3.868 2.559 159 H GLN 21 HN GLN 21 -6.545 -1.203 5.625 160 HA GLN 21 HA GLN 21 -3.846 -1.580 4.993 161 1HB GLN 21 HB2 GLN 21 -3.424 -0.227 7.083 162 2HB GLN 21 HB1 GLN 21 -4.508 0.511 5.911 163 1HG GLN 21 HG2 GLN 21 -6.387 0.138 7.228 164 2HG GLN 21 HG1 GLN 21 -5.576 -1.085 8.205 165 1HE2 GLN 21 HE21 GLN 21 -6.965 1.583 8.732 166 2HE2 GLN 21 HE22 GLN 21 -5.867 2.414 9.775 167 H SER 22 HN SER 22 -5.880 -3.092 7.390 168 HA SER 22 HA SER 22 -3.821 -4.167 9.011 169 1HB SER 22 HB2 SER 22 -6.218 -3.956 9.699 170 2HB SER 22 HB1 SER 22 -6.606 -5.278 8.598 171 HG SER 22 HG SER 22 -5.030 -6.527 9.832 172 H GLU 23 HN GLU 23 -5.835 -5.676 6.483 173 HA GLU 23 HA GLU 23 -4.561 -8.159 6.469 174 1HB GLU 23 HB2 GLU 23 -6.713 -7.161 5.207 175 2HB GLU 23 HB1 GLU 23 -5.562 -7.115 3.879 176 1HG GLU 23 HG2 GLU 23 -6.888 -9.176 3.912 177 2HG GLU 23 HG1 GLU 23 -5.159 -9.479 4.084 178 H VAL 24 HN VAL 24 -3.945 -5.286 4.469 179 HA VAL 24 HA VAL 24 -1.921 -6.342 2.870 180 HB VAL 24 HB VAL 24 -2.044 -3.489 3.848 181 1HG1 VAL 24 HG11 VAL 24 -1.277 -3.881 1.099 182 2HG1 VAL 24 HG12 VAL 24 -0.229 -4.800 2.179 183 3HG1 VAL 24 HG13 VAL 24 -0.414 -3.060 2.399 184 1HG2 VAL 24 HG21 VAL 24 -3.890 -3.117 2.658 185 2HG2 VAL 24 HG22 VAL 24 -4.067 -4.866 2.525 186 3HG2 VAL 24 HG23 VAL 24 -3.238 -3.965 1.256 187 H THR 25 HN THR 25 -1.669 -4.612 5.967 188 HA THR 25 HA THR 25 1.165 -4.823 6.113 189 HB THR 25 HB THR 25 0.808 -4.165 8.519 190 HG1 THR 25 HG1 THR 25 -1.147 -4.062 9.315 191 1HG2 THR 25 HG21 THR 25 -0.592 -2.012 7.813 192 2HG2 THR 25 HG22 THR 25 -0.140 -2.595 6.211 193 3HG2 THR 25 HG23 THR 25 1.109 -2.232 7.403 194 H ARG 26 HN ARG 26 -1.478 -6.879 7.047 195 HA ARG 26 HA ARG 26 -0.264 -8.473 8.979 196 1HB ARG 26 HB2 ARG 26 -2.707 -8.444 7.981 197 2HB ARG 26 HB1 ARG 26 -2.072 -9.722 6.955 198 1HG ARG 26 HG2 ARG 26 -2.376 -11.196 8.572 199 2HG ARG 26 HG1 ARG 26 -1.307 -10.277 9.633 200 1HD ARG 26 HD2 ARG 26 -3.572 -8.789 9.759 201 2HD ARG 26 HD1 ARG 26 -4.244 -10.406 9.550 202 HE ARG 26 HE ARG 26 -2.262 -10.476 11.542 203 1HH1 ARG 26 HH11 ARG 26 -5.483 -9.248 11.001 204 2HH1 ARG 26 HH12 ARG 26 -5.926 -9.321 12.674 205 1HH2 ARG 26 HH21 ARG 26 -2.843 -10.573 13.742 206 2HH2 ARG 26 HH22 ARG 26 -4.428 -10.072 14.230 207 H ILE 27 HN ILE 27 -0.368 -8.945 5.450 208 HA ILE 27 HA ILE 27 1.285 -11.261 5.492 209 HB ILE 27 HB ILE 27 0.802 -9.409 3.158 210 1HG1 ILE 27 HG12 ILE 27 -0.781 -11.859 3.960 211 2HG1 ILE 27 HG11 ILE 27 -1.308 -10.203 4.241 212 1HG2 ILE 27 HG21 ILE 27 2.560 -11.457 3.319 213 2HG2 ILE 27 HG22 ILE 27 1.766 -10.948 1.830 214 3HG2 ILE 27 HG23 ILE 27 1.119 -12.303 2.754 215 1HD1 ILE 27 HD11 ILE 27 -1.442 -11.818 1.840 216 2HD1 ILE 27 HD12 ILE 27 -0.724 -10.232 1.554 217 3HD1 ILE 27 HD13 ILE 27 -2.328 -10.357 2.278 218 H LEU 28 HN LEU 28 1.885 -7.826 4.895 219 HA LEU 28 HA LEU 28 4.583 -8.058 4.135 220 1HB LEU 28 HB2 LEU 28 3.119 -5.774 5.457 221 2HB LEU 28 HB1 LEU 28 4.731 -5.656 4.780 222 HG LEU 28 HG LEU 28 2.432 -6.541 3.070 223 1HD1 LEU 28 HD11 LEU 28 3.211 -3.686 3.048 224 2HD1 LEU 28 HD12 LEU 28 2.188 -4.232 4.377 225 3HD1 LEU 28 HD13 LEU 28 1.654 -4.443 2.709 226 1HD2 LEU 28 HD21 LEU 28 3.912 -5.305 1.378 227 2HD2 LEU 28 HD22 LEU 28 4.473 -6.863 1.986 228 3HD2 LEU 28 HD23 LEU 28 5.156 -5.369 2.626 229 H ASP 29 HN ASP 29 3.084 -7.461 7.295 230 HA ASP 29 HA ASP 29 5.494 -7.228 8.743 231 1HB ASP 29 HB2 ASP 29 2.631 -7.702 9.444 232 2HB ASP 29 HB1 ASP 29 3.851 -8.012 10.674 233 H GLY 30 HN GLY 30 3.222 -9.968 8.460 234 1HA GLY 30 HA2 GLY 30 4.745 -11.822 9.899 235 2HA GLY 30 HA1 GLY 30 3.553 -12.230 8.672 236 H LYS 31 HN LYS 31 4.999 -10.743 6.588 237 HA LYS 31 HA LYS 31 6.689 -12.865 5.705 238 1HB LYS 31 HB2 LYS 31 5.847 -10.215 4.612 239 2HB LYS 31 HB1 LYS 31 7.229 -11.027 3.891 240 1HG LYS 31 HG2 LYS 31 5.889 -12.939 3.336 241 2HG LYS 31 HG1 LYS 31 4.505 -12.268 4.202 242 1HD LYS 31 HD2 LYS 31 4.115 -11.840 1.908 243 2HD LYS 31 HD1 LYS 31 4.627 -10.305 2.611 244 1HE LYS 31 HE2 LYS 31 5.723 -10.674 0.473 245 2HE LYS 31 HE1 LYS 31 6.900 -10.690 1.786 246 1HZ LYS 31 HZ1 LYS 31 7.185 -12.480 0.099 247 2HZ LYS 31 HZ2 LYS 31 5.722 -13.149 0.619 248 3HZ LYS 31 HZ3 LYS 31 7.029 -13.043 1.687 249 H ARG 32 HN ARG 32 7.219 -10.251 7.755 250 HA ARG 32 HA ARG 32 9.076 -9.358 8.709 251 1HB ARG 32 HB2 ARG 32 10.376 -11.783 7.457 252 2HB ARG 32 HB1 ARG 32 11.187 -10.698 8.578 253 1HG ARG 32 HG2 ARG 32 10.116 -11.534 10.376 254 2HG ARG 32 HG1 ARG 32 8.612 -11.801 9.492 255 1HD ARG 32 HD2 ARG 32 9.844 -13.700 8.314 256 2HD ARG 32 HD1 ARG 32 11.071 -13.527 9.567 257 HE ARG 32 HE ARG 32 8.498 -13.778 10.721 258 1HH1 ARG 32 HH11 ARG 32 10.984 -15.642 9.134 259 2HH1 ARG 32 HH12 ARG 32 10.542 -17.126 9.908 260 1HH2 ARG 32 HH21 ARG 32 7.914 -15.729 11.742 261 2HH2 ARG 32 HH22 ARG 32 8.798 -17.176 11.389 262 H ILE 33 HN ILE 33 8.300 -8.173 6.380 263 HA ILE 33 HA ILE 33 10.570 -7.873 4.623 264 HB ILE 33 HB ILE 33 8.009 -6.276 4.645 265 1HG1 ILE 33 HG12 ILE 33 8.699 -8.813 3.148 266 2HG1 ILE 33 HG11 ILE 33 7.495 -8.652 4.423 267 1HG2 ILE 33 HG21 ILE 33 8.607 -5.986 2.215 268 2HG2 ILE 33 HG22 ILE 33 10.188 -6.662 2.607 269 3HG2 ILE 33 HG23 ILE 33 9.660 -5.159 3.363 270 1HD1 ILE 33 HD11 ILE 33 6.600 -8.728 2.088 271 2HD1 ILE 33 HD12 ILE 33 7.352 -7.154 1.825 272 3HD1 ILE 33 HD13 ILE 33 6.091 -7.337 3.045 273 H GLN 34 HN GLN 34 11.487 -5.782 4.149 274 HA GLN 34 HA GLN 34 11.681 -4.093 6.554 275 1HB GLN 34 HB2 GLN 34 13.740 -4.262 4.359 276 2HB GLN 34 HB1 GLN 34 13.930 -3.588 5.971 277 1HG GLN 34 HG2 GLN 34 14.653 -5.533 6.723 278 2HG GLN 34 HG1 GLN 34 13.150 -6.308 6.227 279 1HE2 GLN 34 HE21 GLN 34 13.349 -6.010 3.478 280 2HE2 GLN 34 HE22 GLN 34 14.657 -6.980 2.901 281 H TYR 35 HN TYR 35 9.589 -3.684 4.769 282 HA TYR 35 HA TYR 35 10.360 -1.432 3.086 283 1HB TYR 35 HB2 TYR 35 8.341 -1.695 1.970 284 2HB TYR 35 HB1 TYR 35 8.700 -3.348 2.453 285 HD1 TYR 35 HD1 TYR 35 6.185 -0.961 2.279 286 HD2 TYR 35 HD2 TYR 35 7.708 -3.953 4.891 287 HE1 TYR 35 HE1 TYR 35 4.001 -1.087 3.401 288 HE2 TYR 35 HE2 TYR 35 5.529 -4.088 6.018 289 HH TYR 35 HH TYR 35 3.543 -2.711 6.357 290 H GLN 36 HN GLN 36 8.963 0.536 3.136 291 HA GLN 36 HA GLN 36 8.513 1.332 5.924 292 1HB GLN 36 HB2 GLN 36 8.603 3.651 5.047 293 2HB GLN 36 HB1 GLN 36 10.074 2.742 4.729 294 1HG GLN 36 HG2 GLN 36 8.115 2.564 2.579 295 2HG GLN 36 HG1 GLN 36 8.668 4.207 2.899 296 1HE2 GLN 36 HE21 GLN 36 10.704 4.794 2.346 297 2HE2 GLN 36 HE22 GLN 36 11.817 3.761 1.522 298 H LEU 37 HN LEU 37 6.754 3.251 5.948 299 HA LEU 37 HA LEU 37 4.451 2.466 4.329 300 1HB LEU 37 HB2 LEU 37 4.573 1.362 6.687 301 2HB LEU 37 HB1 LEU 37 4.072 2.941 7.257 302 HG LEU 37 HG LEU 37 2.195 2.575 5.388 303 1HD1 LEU 37 HD11 LEU 37 2.257 -0.195 6.399 304 2HD1 LEU 37 HD12 LEU 37 3.424 0.205 5.139 305 3HD1 LEU 37 HD13 LEU 37 1.701 0.440 4.851 306 1HD2 LEU 37 HD21 LEU 37 0.793 2.489 7.142 307 2HD2 LEU 37 HD22 LEU 37 2.261 2.694 8.097 308 3HD2 LEU 37 HD23 LEU 37 1.592 1.082 7.843 309 H VAL 38 HN VAL 38 4.242 4.310 3.240 310 HA VAL 38 HA VAL 38 4.584 6.878 4.498 311 HB VAL 38 HB VAL 38 3.693 7.728 2.244 312 1HG1 VAL 38 HG11 VAL 38 5.941 6.751 1.150 313 2HG1 VAL 38 HG12 VAL 38 6.252 6.392 2.849 314 3HG1 VAL 38 HG13 VAL 38 5.925 8.049 2.343 315 1HG2 VAL 38 HG21 VAL 38 3.654 6.228 0.401 316 2HG2 VAL 38 HG22 VAL 38 2.640 5.521 1.658 317 3HG2 VAL 38 HG23 VAL 38 4.267 4.899 1.384 318 H ASP 39 HN ASP 39 2.975 6.622 6.146 319 HA ASP 39 HA ASP 39 0.201 6.415 5.410 320 1HB ASP 39 HB2 ASP 39 1.400 7.220 8.068 321 2HB ASP 39 HB1 ASP 39 -0.257 6.698 7.781 322 H ILE 40 HN ILE 40 -0.799 8.027 4.438 323 HA ILE 40 HA ILE 40 0.058 10.718 4.480 324 HB ILE 40 HB ILE 40 -2.060 11.219 3.326 325 1HG1 ILE 40 HG12 ILE 40 -2.691 8.279 3.626 326 2HG1 ILE 40 HG11 ILE 40 -3.401 9.527 4.645 327 1HG2 ILE 40 HG21 ILE 40 -1.303 8.765 1.928 328 2HG2 ILE 40 HG22 ILE 40 0.064 9.776 2.396 329 3HG2 ILE 40 HG23 ILE 40 -1.226 10.444 1.397 330 1HD1 ILE 40 HD11 ILE 40 -3.748 9.141 1.689 331 2HD1 ILE 40 HD12 ILE 40 -4.260 10.598 2.542 332 3HD1 ILE 40 HD13 ILE 40 -4.971 9.037 2.954 333 H SER 41 HN SER 41 -1.876 8.905 6.652 334 HA SER 41 HA SER 41 -3.587 10.874 7.662 335 1HB SER 41 HB2 SER 41 -3.672 8.407 8.177 336 2HB SER 41 HB1 SER 41 -2.315 8.655 9.276 337 HG SER 41 HG SER 41 -4.973 9.312 9.571 338 H GLN 42 HN GLN 42 -0.189 10.360 8.094 339 HA GLN 42 HA GLN 42 0.251 11.706 10.502 340 1HB GLN 42 HB2 GLN 42 1.941 10.352 9.277 341 2HB GLN 42 HB1 GLN 42 2.067 11.638 8.087 342 1HG GLN 42 HG2 GLN 42 2.765 13.168 9.932 343 2HG GLN 42 HG1 GLN 42 2.817 11.762 10.995 344 1HE2 GLN 42 HE21 GLN 42 4.042 9.855 9.809 345 2HE2 GLN 42 HE22 GLN 42 5.601 10.298 9.208 346 H ASP 43 HN ASP 43 0.896 13.031 7.256 347 HA ASP 43 HA ASP 43 0.318 15.707 8.332 348 1HB ASP 43 HB2 ASP 43 2.603 15.172 7.311 349 2HB ASP 43 HB1 ASP 43 1.774 15.120 5.758 350 H ASN 44 HN ASN 44 -0.945 17.170 7.123 351 HA ASN 44 HA ASN 44 -3.138 15.954 5.754 352 1HB ASN 44 HB2 ASN 44 -2.413 18.698 6.636 353 2HB ASN 44 HB1 ASN 44 -3.582 18.561 5.326 354 1HD2 ASN 44 HD21 ASN 44 -3.709 19.351 8.249 355 2HD2 ASN 44 HD22 ASN 44 -5.037 18.437 8.869 356 H ALA 45 HN ALA 45 -0.123 17.256 4.762 357 HA ALA 45 HA ALA 45 -0.890 18.019 2.117 358 1HB ALA 45 HB1 ALA 45 1.849 17.379 3.205 359 2HB ALA 45 HB2 ALA 45 1.082 18.967 3.220 360 3HB ALA 45 HB3 ALA 45 1.498 18.204 1.686 361 H LEU 46 HN LEU 46 0.412 15.106 3.596 362 HA LEU 46 HA LEU 46 1.036 13.698 1.255 363 1HB LEU 46 HB2 LEU 46 0.307 12.865 4.041 364 2HB LEU 46 HB1 LEU 46 0.521 11.660 2.786 365 HG LEU 46 HG LEU 46 2.708 13.635 3.131 366 1HD1 LEU 46 HD11 LEU 46 2.765 11.287 4.939 367 2HD1 LEU 46 HD12 LEU 46 1.790 12.673 5.429 368 3HD1 LEU 46 HD13 LEU 46 3.514 12.874 5.114 369 1HD2 LEU 46 HD21 LEU 46 2.694 10.650 2.709 370 2HD2 LEU 46 HD22 LEU 46 4.077 11.734 2.564 371 3HD2 LEU 46 HD23 LEU 46 2.741 11.851 1.419 372 H ARG 47 HN ARG 47 -1.987 14.232 2.924 373 HA ARG 47 HA ARG 47 -3.520 12.234 1.659 374 1HB ARG 47 HB2 ARG 47 -4.097 14.732 3.166 375 2HB ARG 47 HB1 ARG 47 -5.391 14.077 2.173 376 1HG ARG 47 HG2 ARG 47 -5.706 12.291 3.517 377 2HG ARG 47 HG1 ARG 47 -3.996 12.162 3.931 378 1HD ARG 47 HD2 ARG 47 -4.193 13.517 5.723 379 2HD ARG 47 HD1 ARG 47 -5.355 14.575 4.924 380 HE ARG 47 HE ARG 47 -5.935 12.363 6.643 381 1HH1 ARG 47 HH11 ARG 47 -7.141 14.251 3.967 382 2HH1 ARG 47 HH12 ARG 47 -8.802 13.893 4.300 383 1HH2 ARG 47 HH21 ARG 47 -8.119 11.891 7.083 384 2HH2 ARG 47 HH22 ARG 47 -9.358 12.554 6.070 385 H ASP 48 HN ASP 48 -3.120 15.695 0.905 386 HA ASP 48 HA ASP 48 -4.557 15.383 -1.571 387 1HB ASP 48 HB2 ASP 48 -4.272 17.496 0.097 388 2HB ASP 48 HB1 ASP 48 -3.055 17.879 -1.117 389 H GLU 49 HN GLU 49 -1.602 14.554 -0.699 390 HA GLU 49 HA GLU 49 -0.290 15.339 -3.198 391 1HB GLU 49 HB2 GLU 49 0.922 15.727 -1.063 392 2HB GLU 49 HB1 GLU 49 0.899 13.994 -0.764 393 1HG GLU 49 HG2 GLU 49 1.993 14.123 -3.260 394 2HG GLU 49 HG1 GLU 49 2.626 15.583 -2.499 395 H MET 50 HN MET 50 -1.549 12.614 -1.449 396 HA MET 50 HA MET 50 -0.390 10.668 -3.262 397 1HB MET 50 HB2 MET 50 -0.880 10.377 -0.723 398 2HB MET 50 HB1 MET 50 -2.529 10.062 -1.245 399 1HG MET 50 HG2 MET 50 -0.886 8.481 -2.874 400 2HG MET 50 HG1 MET 50 -0.256 8.321 -1.236 401 1HE MET 50 HE1 MET 50 -3.424 8.560 -3.282 402 2HE MET 50 HE2 MET 50 -4.285 8.905 -1.782 403 3HE MET 50 HE3 MET 50 -4.524 7.362 -2.600 404 H ARG 51 HN ARG 51 -3.486 12.213 -2.652 405 HA ARG 51 HA ARG 51 -5.100 10.589 -4.269 406 1HB ARG 51 HB2 ARG 51 -5.296 13.261 -3.047 407 2HB ARG 51 HB1 ARG 51 -6.278 13.043 -4.489 408 1HG ARG 51 HG2 ARG 51 -7.554 12.533 -2.497 409 2HG ARG 51 HG1 ARG 51 -7.328 11.080 -3.475 410 1HD ARG 51 HD2 ARG 51 -5.331 10.579 -1.984 411 2HD ARG 51 HD1 ARG 51 -5.942 11.844 -0.920 412 HE ARG 51 HE ARG 51 -6.951 9.195 -1.178 413 1HH1 ARG 51 HH11 ARG 51 -7.903 12.489 -0.531 414 2HH1 ARG 51 HH12 ARG 51 -9.297 12.037 0.391 415 1HH2 ARG 51 HH21 ARG 51 -8.785 8.598 0.034 416 2HH2 ARG 51 HH22 ARG 51 -9.798 9.828 0.713 417 H ALA 52 HN ALA 52 -2.924 13.209 -5.044 418 HA ALA 52 HA ALA 52 -3.857 13.399 -7.783 419 1HB ALA 52 HB1 ALA 52 -2.013 15.058 -8.013 420 2HB ALA 52 HB2 ALA 52 -1.598 14.760 -6.325 421 3HB ALA 52 HB3 ALA 52 -3.170 15.443 -6.739 422 H LEU 53 HN LEU 53 -0.955 12.286 -6.069 423 HA LEU 53 HA LEU 53 0.555 11.557 -8.304 424 1HB LEU 53 HB2 LEU 53 0.522 10.681 -5.444 425 2HB LEU 53 HB1 LEU 53 1.538 9.836 -6.596 426 HG LEU 53 HG LEU 53 1.684 12.808 -6.102 427 1HD1 LEU 53 HD11 LEU 53 3.595 10.723 -5.083 428 2HD1 LEU 53 HD12 LEU 53 2.267 11.363 -4.114 429 3HD1 LEU 53 HD13 LEU 53 3.539 12.441 -4.689 430 1HD2 LEU 53 HD21 LEU 53 2.549 11.452 -8.262 431 2HD2 LEU 53 HD22 LEU 53 3.951 11.283 -7.206 432 3HD2 LEU 53 HD23 LEU 53 3.348 12.888 -7.621 433 H ALA 54 HN ALA 54 -2.078 9.938 -6.693 434 HA ALA 54 HA ALA 54 -1.634 7.467 -8.167 435 1HB ALA 54 HB1 ALA 54 -3.501 8.290 -5.980 436 2HB ALA 54 HB2 ALA 54 -2.306 6.993 -6.002 437 3HB ALA 54 HB3 ALA 54 -3.805 6.827 -6.917 438 H GLY 55 HN GLY 55 -2.748 10.288 -9.150 439 1HA GLY 55 HA2 GLY 55 -4.263 11.016 -10.718 440 2HA GLY 55 HA1 GLY 55 -4.076 9.407 -11.400 441 H ASN 56 HN ASN 56 -5.547 10.530 -8.362 442 HA ASN 56 HA ASN 56 -8.216 10.315 -9.100 443 1HB ASN 56 HB2 ASN 56 -7.713 7.914 -9.458 444 2HB ASN 56 HB1 ASN 56 -7.173 7.792 -7.787 445 1HD2 ASN 56 HD21 ASN 56 -8.613 6.751 -6.634 446 2HD2 ASN 56 HD22 ASN 56 -10.328 6.941 -6.724 447 HA PRO 57 HA PRO 57 -7.926 12.097 -5.070 448 1HB PRO 57 HB2 PRO 57 -10.181 13.677 -5.673 449 2HB PRO 57 HB1 PRO 57 -8.493 14.154 -5.772 450 1HG PRO 57 HG2 PRO 57 -10.248 13.910 -7.913 451 2HG PRO 57 HG1 PRO 57 -8.481 13.966 -8.024 452 1HD PRO 57 HD2 PRO 57 -10.313 11.613 -8.072 453 2HD PRO 57 HD1 PRO 57 -8.804 11.898 -8.967 454 H LYS 58 HN LYS 58 -9.584 9.645 -5.829 455 HA LYS 58 HA LYS 58 -11.485 9.876 -3.609 456 1HB LYS 58 HB2 LYS 58 -12.777 10.033 -5.661 457 2HB LYS 58 HB1 LYS 58 -12.003 8.586 -6.294 458 1HG LYS 58 HG2 LYS 58 -13.312 7.200 -5.103 459 2HG LYS 58 HG1 LYS 58 -13.365 8.276 -3.706 460 1HD LYS 58 HD2 LYS 58 -14.776 9.745 -5.452 461 2HD LYS 58 HD1 LYS 58 -15.142 8.132 -6.067 462 1HE LYS 58 HE2 LYS 58 -16.836 8.591 -4.506 463 2HE LYS 58 HE1 LYS 58 -15.716 7.518 -3.667 464 1HZ LYS 58 HZ1 LYS 58 -16.572 9.616 -2.477 465 2HZ LYS 58 HZ2 LYS 58 -15.433 10.440 -3.418 466 3HZ LYS 58 HZ3 LYS 58 -14.930 9.226 -2.353 467 H ALA 59 HN ALA 59 -8.751 8.477 -4.583 468 HA ALA 59 HA ALA 59 -9.116 5.719 -4.267 469 1HB ALA 59 HB1 ALA 59 -6.837 5.550 -4.350 470 2HB ALA 59 HB2 ALA 59 -6.583 6.977 -3.346 471 3HB ALA 59 HB3 ALA 59 -7.047 7.160 -5.037 472 H THR 60 HN THR 60 -7.354 4.913 -2.289 473 HA THR 60 HA THR 60 -8.582 5.863 0.208 474 HB THR 60 HB THR 60 -8.775 3.565 1.009 475 HG1 THR 60 HG1 THR 60 -8.319 1.846 -0.365 476 1HG2 THR 60 HG21 THR 60 -10.680 4.502 -0.266 477 2HG2 THR 60 HG22 THR 60 -10.562 2.744 -0.341 478 3HG2 THR 60 HG23 THR 60 -10.039 3.723 -1.712 479 HA PRO 61 HA PRO 61 -4.656 6.094 2.162 480 1HB PRO 61 HB2 PRO 61 -5.551 3.979 4.067 481 2HB PRO 61 HB1 PRO 61 -4.844 5.564 4.395 482 1HG PRO 61 HG2 PRO 61 -7.455 5.155 4.709 483 2HG PRO 61 HG1 PRO 61 -6.844 6.680 4.040 484 1HD PRO 61 HD2 PRO 61 -8.164 4.396 2.657 485 2HD PRO 61 HD1 PRO 61 -8.246 6.133 2.301 486 HA PRO 62 HA PRO 62 -3.136 1.494 2.019 487 1HB PRO 62 HB2 PRO 62 -4.845 -0.340 0.953 488 2HB PRO 62 HB1 PRO 62 -4.737 -0.004 2.684 489 1HG PRO 62 HG2 PRO 62 -6.716 1.002 0.677 490 2HG PRO 62 HG1 PRO 62 -6.992 0.426 2.332 491 1HD PRO 62 HD2 PRO 62 -6.914 3.049 1.714 492 2HD PRO 62 HD1 PRO 62 -6.340 2.428 3.273 493 H GLN 63 HN GLN 63 -2.025 2.700 0.364 494 HA GLN 63 HA GLN 63 -2.562 1.631 -2.313 495 1HB GLN 63 HB2 GLN 63 -2.134 4.534 -1.610 496 2HB GLN 63 HB1 GLN 63 -1.921 3.907 -3.239 497 1HG GLN 63 HG2 GLN 63 -4.481 3.515 -1.737 498 2HG GLN 63 HG1 GLN 63 -4.155 4.992 -2.643 499 1HE2 GLN 63 HE21 GLN 63 -6.278 3.332 -3.246 500 2HE2 GLN 63 HE22 GLN 63 -6.006 2.598 -4.786 501 H ILE 64 HN ILE 64 -0.808 0.617 -3.010 502 HA ILE 64 HA ILE 64 1.751 1.070 -1.752 503 HB ILE 64 HB ILE 64 1.174 -0.761 -4.075 504 1HG1 ILE 64 HG12 ILE 64 1.236 -2.408 -1.926 505 2HG1 ILE 64 HG11 ILE 64 0.489 -0.987 -1.203 506 1HG2 ILE 64 HG21 ILE 64 3.434 -0.374 -2.181 507 2HG2 ILE 64 HG22 ILE 64 3.454 -0.724 -3.909 508 3HG2 ILE 64 HG23 ILE 64 3.086 -2.005 -2.754 509 1HD1 ILE 64 HD11 ILE 64 -1.430 -1.794 -1.967 510 2HD1 ILE 64 HD12 ILE 64 -0.617 -2.951 -3.021 511 3HD1 ILE 64 HD13 ILE 64 -0.885 -1.296 -3.568 512 H VAL 65 HN VAL 65 3.714 1.459 -2.950 513 HA VAL 65 HA VAL 65 3.508 2.595 -5.604 514 HB VAL 65 HB VAL 65 4.359 4.301 -3.261 515 1HG1 VAL 65 HG11 VAL 65 4.166 5.757 -5.709 516 2HG1 VAL 65 HG12 VAL 65 5.260 4.393 -5.933 517 3HG1 VAL 65 HG13 VAL 65 5.556 5.557 -4.643 518 1HG2 VAL 65 HG21 VAL 65 2.512 5.790 -4.241 519 2HG2 VAL 65 HG22 VAL 65 2.026 4.367 -3.320 520 3HG2 VAL 65 HG23 VAL 65 1.978 4.335 -5.084 521 H ASN 66 HN ASN 66 5.408 2.497 -6.708 522 HA ASN 66 HA ASN 66 7.676 1.295 -5.276 523 1HB ASN 66 HB2 ASN 66 6.588 1.004 -8.029 524 2HB ASN 66 HB1 ASN 66 8.335 0.883 -7.838 525 1HD2 ASN 66 HD21 ASN 66 9.098 -1.055 -7.430 526 2HD2 ASN 66 HD22 ASN 66 8.220 -2.371 -6.737 527 H GLY 67 HN GLY 67 8.327 3.422 -4.521 528 1HA GLY 67 HA2 GLY 67 10.082 4.960 -4.693 529 2HA GLY 67 HA1 GLY 67 10.142 4.668 -6.423 530 H ASP 68 HN ASP 68 8.552 5.697 -7.773 531 HA ASP 68 HA ASP 68 7.025 7.864 -6.559 532 1HB ASP 68 HB2 ASP 68 9.499 8.463 -7.469 533 2HB ASP 68 HB1 ASP 68 8.574 8.665 -8.954 534 H GLN 69 HN GLN 69 6.095 5.487 -7.693 535 HA GLN 69 HA GLN 69 4.553 6.572 -9.922 536 1HB GLN 69 HB2 GLN 69 6.580 4.532 -10.182 537 2HB GLN 69 HB1 GLN 69 5.006 3.891 -10.623 538 1HG GLN 69 HG2 GLN 69 4.734 5.422 -12.359 539 2HG GLN 69 HG1 GLN 69 5.991 6.490 -11.734 540 1HE2 GLN 69 HE21 GLN 69 5.796 3.037 -12.546 541 2HE2 GLN 69 HE22 GLN 69 7.199 3.021 -13.554 542 H TYR 70 HN TYR 70 2.632 5.239 -10.406 543 HA TYR 70 HA TYR 70 1.395 4.396 -7.946 544 1HB TYR 70 HB2 TYR 70 0.325 5.685 -9.944 545 2HB TYR 70 HB1 TYR 70 0.133 4.085 -10.650 546 HD1 TYR 70 HD1 TYR 70 -0.228 5.168 -7.102 547 HD2 TYR 70 HD2 TYR 70 -2.155 3.663 -10.584 548 HE1 TYR 70 HE1 TYR 70 -2.299 4.853 -5.814 549 HE2 TYR 70 HE2 TYR 70 -4.231 3.346 -9.305 550 HH TYR 70 HH TYR 70 -4.954 3.067 -7.007 551 H CYS 71 HN CYS 71 2.088 2.477 -7.203 552 HA CYS 71 HA CYS 71 2.650 0.269 -8.961 553 1HB CYS 71 HB2 CYS 71 3.942 0.624 -6.894 554 2HB CYS 71 HB1 CYS 71 2.486 0.361 -5.941 555 HG CYS 71 HG CYS 71 3.821 -1.901 -7.612 556 H GLY 72 HN GLY 72 0.230 0.856 -6.394 557 1HA GLY 72 HA2 GLY 72 -1.951 -0.159 -7.757 558 2HA GLY 72 HA1 GLY 72 -1.215 -1.536 -6.954 559 H ASP 73 HN ASP 73 -2.879 -1.920 -5.539 560 HA ASP 73 HA ASP 73 -2.930 -0.271 -3.189 561 1HB ASP 73 HB2 ASP 73 -5.293 0.272 -3.220 562 2HB ASP 73 HB1 ASP 73 -4.539 0.902 -4.679 563 H TYR 74 HN TYR 74 -5.282 -1.237 -2.040 564 HA TYR 74 HA TYR 74 -4.489 -3.676 -0.990 565 1HB TYR 74 HB2 TYR 74 -6.067 -2.292 0.187 566 2HB TYR 74 HB1 TYR 74 -7.232 -2.415 -1.126 567 HD1 TYR 74 HD1 TYR 74 -8.460 -4.526 -1.497 568 HD2 TYR 74 HD2 TYR 74 -5.863 -4.020 1.835 569 HE1 TYR 74 HE1 TYR 74 -9.493 -6.471 -0.404 570 HE2 TYR 74 HE2 TYR 74 -6.889 -5.964 2.937 571 HH TYR 74 HH TYR 74 -9.142 -7.171 2.820 572 H GLU 75 HN GLU 75 -7.033 -3.093 -3.426 573 HA GLU 75 HA GLU 75 -7.866 -5.657 -3.872 574 1HB GLU 75 HB2 GLU 75 -8.371 -3.230 -4.975 575 2HB GLU 75 HB1 GLU 75 -7.535 -4.025 -6.299 576 1HG GLU 75 HG2 GLU 75 -9.484 -5.783 -5.140 577 2HG GLU 75 HG1 GLU 75 -10.222 -4.248 -5.591 578 H LEU 76 HN LEU 76 -5.428 -4.005 -5.893 579 HA LEU 76 HA LEU 76 -4.628 -6.193 -7.381 580 1HB LEU 76 HB2 LEU 76 -2.895 -3.902 -6.451 581 2HB LEU 76 HB1 LEU 76 -2.538 -4.977 -7.789 582 HG LEU 76 HG LEU 76 -5.010 -4.008 -8.483 583 1HD1 LEU 76 HD11 LEU 76 -4.528 -2.398 -6.456 584 2HD1 LEU 76 HD12 LEU 76 -5.277 -1.807 -7.938 585 3HD1 LEU 76 HD13 LEU 76 -3.555 -1.550 -7.658 586 1HD2 LEU 76 HD21 LEU 76 -3.915 -3.081 -10.277 587 2HD2 LEU 76 HD22 LEU 76 -2.701 -4.222 -9.697 588 3HD2 LEU 76 HD23 LEU 76 -2.564 -2.510 -9.297 589 H PHE 77 HN PHE 77 -2.964 -4.910 -4.497 590 HA PHE 77 HA PHE 77 -1.026 -6.830 -4.203 591 1HB PHE 77 HB2 PHE 77 -1.003 -4.894 -2.800 592 2HB PHE 77 HB1 PHE 77 -2.568 -5.299 -2.107 593 HD1 PHE 77 HD1 PHE 77 0.994 -5.723 -1.881 594 HD2 PHE 77 HD2 PHE 77 -2.747 -7.295 -0.600 595 HE1 PHE 77 HE1 PHE 77 2.125 -6.906 -0.045 596 HE2 PHE 77 HE2 PHE 77 -1.623 -8.481 1.240 597 HZ PHE 77 HZ PHE 77 0.816 -8.287 1.519 598 H VAL 78 HN VAL 78 -4.273 -6.897 -2.724 599 HA VAL 78 HA VAL 78 -3.995 -9.462 -1.582 600 HB VAL 78 HB VAL 78 -6.575 -8.129 -2.414 601 1HG1 VAL 78 HG11 VAL 78 -7.102 -9.490 -0.133 602 2HG1 VAL 78 HG12 VAL 78 -5.890 -10.537 -0.872 603 3HG1 VAL 78 HG13 VAL 78 -7.362 -10.132 -1.755 604 1HG2 VAL 78 HG21 VAL 78 -4.723 -7.040 -0.729 605 2HG2 VAL 78 HG22 VAL 78 -5.749 -7.938 0.389 606 3HG2 VAL 78 HG23 VAL 78 -6.457 -6.720 -0.672 607 H GLU 79 HN GLU 79 -5.019 -8.360 -4.744 608 HA GLU 79 HA GLU 79 -6.083 -10.876 -5.587 609 1HB GLU 79 HB2 GLU 79 -6.759 -8.702 -6.579 610 2HB GLU 79 HB1 GLU 79 -5.153 -8.554 -7.280 611 1HG GLU 79 HG2 GLU 79 -6.125 -11.081 -8.038 612 2HG GLU 79 HG1 GLU 79 -7.443 -9.935 -8.281 613 H ALA 80 HN ALA 80 -2.953 -9.866 -5.021 614 HA ALA 80 HA ALA 80 -1.770 -11.457 -7.162 615 1HB ALA 80 HB1 ALA 80 -0.257 -9.995 -5.024 616 2HB ALA 80 HB2 ALA 80 -0.920 -9.161 -6.428 617 3HB ALA 80 HB3 ALA 80 0.273 -10.439 -6.646 618 H VAL 81 HN VAL 81 -1.494 -11.242 -3.608 619 HA VAL 81 HA VAL 81 0.017 -13.498 -3.126 620 HB VAL 81 HB VAL 81 -2.298 -12.880 -1.320 621 1HG1 VAL 81 HG11 VAL 81 -1.124 -14.492 -0.260 622 2HG1 VAL 81 HG12 VAL 81 -0.144 -13.121 0.260 623 3HG1 VAL 81 HG13 VAL 81 0.376 -14.110 -1.104 624 1HG2 VAL 81 HG21 VAL 81 -0.365 -11.221 -0.375 625 2HG2 VAL 81 HG22 VAL 81 -1.725 -10.707 -1.372 626 3HG2 VAL 81 HG23 VAL 81 -0.160 -11.031 -2.116 627 H GLU 82 HN GLU 82 -3.415 -13.246 -3.718 628 HA GLU 82 HA GLU 82 -4.308 -15.759 -3.015 629 1HB GLU 82 HB2 GLU 82 -5.981 -15.372 -4.953 630 2HB GLU 82 HB1 GLU 82 -5.974 -14.254 -3.594 631 1HG GLU 82 HG2 GLU 82 -5.533 -12.545 -4.921 632 2HG GLU 82 HG1 GLU 82 -4.130 -13.365 -5.608 633 H GLN 83 HN GLN 83 -3.006 -14.760 -6.185 634 HA GLN 83 HA GLN 83 -2.971 -17.572 -7.006 635 1HB GLN 83 HB2 GLN 83 -3.740 -15.328 -8.369 636 2HB GLN 83 HB1 GLN 83 -2.092 -15.539 -8.941 637 1HG GLN 83 HG2 GLN 83 -2.599 -17.794 -9.663 638 2HG GLN 83 HG1 GLN 83 -4.235 -17.651 -9.022 639 1HE2 GLN 83 HE21 GLN 83 -5.230 -15.414 -9.858 640 2HE2 GLN 83 HE22 GLN 83 -5.186 -15.256 -11.578 641 H ASN 84 HN ASN 84 -1.008 -15.731 -5.314 642 HA ASN 84 HA ASN 84 1.170 -15.939 -4.747 643 1HB ASN 84 HB2 ASN 84 0.739 -18.300 -6.140 644 2HB ASN 84 HB1 ASN 84 2.121 -17.585 -6.964 645 1HD2 ASN 84 HD21 ASN 84 1.051 -19.309 -4.268 646 2HD2 ASN 84 HD22 ASN 84 2.533 -19.324 -3.380 647 H THR 85 HN THR 85 -0.051 -14.185 -6.878 648 HA THR 85 HA THR 85 2.154 -13.584 -8.628 649 HB THR 85 HB THR 85 -0.107 -11.680 -8.306 650 HG1 THR 85 HG1 THR 85 -0.374 -14.320 -9.279 651 1HG2 THR 85 HG21 THR 85 1.476 -12.786 -10.584 652 2HG2 THR 85 HG22 THR 85 1.229 -11.107 -10.103 653 3HG2 THR 85 HG23 THR 85 -0.086 -12.011 -10.854 654 H LEU 86 HN LEU 86 1.103 -12.696 -5.508 655 HA LEU 86 HA LEU 86 1.639 -10.201 -4.892 656 1HB LEU 86 HB2 LEU 86 1.474 -12.311 -3.390 657 2HB LEU 86 HB1 LEU 86 3.224 -12.250 -3.401 658 HG LEU 86 HG LEU 86 1.472 -9.967 -2.500 659 1HD1 LEU 86 HD11 LEU 86 3.044 -11.665 -0.625 660 2HD1 LEU 86 HD12 LEU 86 1.463 -12.223 -1.174 661 3HD1 LEU 86 HD13 LEU 86 1.610 -10.683 -0.327 662 1HD2 LEU 86 HD21 LEU 86 3.728 -9.418 -1.342 663 2HD2 LEU 86 HD22 LEU 86 3.510 -9.029 -3.049 664 3HD2 LEU 86 HD23 LEU 86 4.417 -10.468 -2.581 665 H GLN 87 HN GLN 87 4.252 -12.459 -5.747 666 HA GLN 87 HA GLN 87 6.435 -10.832 -5.234 667 1HB GLN 87 HB2 GLN 87 6.999 -13.008 -5.835 668 2HB GLN 87 HB1 GLN 87 5.937 -13.004 -7.237 669 1HG GLN 87 HG2 GLN 87 7.443 -11.649 -8.480 670 2HG GLN 87 HG1 GLN 87 8.427 -11.330 -7.055 671 1HE2 GLN 87 HE21 GLN 87 9.230 -13.425 -5.978 672 2HE2 GLN 87 HE22 GLN 87 9.903 -14.601 -7.051 673 H GLU 88 HN GLU 88 4.796 -11.220 -8.376 674 HA GLU 88 HA GLU 88 6.101 -9.354 -9.868 675 1HB GLU 88 HB2 GLU 88 4.224 -10.867 -10.608 676 2HB GLU 88 HB1 GLU 88 3.102 -9.697 -9.928 677 1HG GLU 88 HG2 GLU 88 3.750 -8.036 -11.487 678 2HG GLU 88 HG1 GLU 88 5.126 -8.994 -12.032 679 H PHE 89 HN PHE 89 3.937 -8.761 -7.226 680 HA PHE 89 HA PHE 89 3.848 -5.909 -7.853 681 1HB PHE 89 HB2 PHE 89 1.762 -7.260 -7.219 682 2HB PHE 89 HB1 PHE 89 2.411 -7.276 -5.585 683 HD1 PHE 89 HD1 PHE 89 0.590 -5.412 -8.038 684 HD2 PHE 89 HD2 PHE 89 2.812 -5.078 -4.425 685 HE1 PHE 89 HE1 PHE 89 -0.435 -3.217 -7.615 686 HE2 PHE 89 HE2 PHE 89 1.791 -2.883 -3.995 687 HZ PHE 89 HZ PHE 89 0.164 -1.948 -5.590 688 H LEU 90 HN LEU 90 5.242 -8.185 -5.639 689 HA LEU 90 HA LEU 90 6.134 -6.054 -3.854 690 1HB LEU 90 HB2 LEU 90 5.498 -8.796 -3.525 691 2HB LEU 90 HB1 LEU 90 7.200 -8.613 -3.147 692 HG LEU 90 HG LEU 90 5.758 -8.420 -1.157 693 1HD1 LEU 90 HD11 LEU 90 6.704 -6.284 -0.322 694 2HD1 LEU 90 HD12 LEU 90 7.250 -5.930 -1.961 695 3HD1 LEU 90 HD13 LEU 90 7.893 -7.329 -1.100 696 1HD2 LEU 90 HD21 LEU 90 3.770 -7.447 -1.603 697 2HD2 LEU 90 HD22 LEU 90 4.438 -6.401 -2.856 698 3HD2 LEU 90 HD23 LEU 90 4.638 -5.979 -1.156 699 H LYS 91 HN LYS 91 7.800 -8.931 -5.137 700 HA LYS 91 HA LYS 91 10.300 -7.494 -5.174 701 1HB LYS 91 HB2 LYS 91 9.827 -10.259 -6.266 702 2HB LYS 91 HB1 LYS 91 11.330 -9.570 -5.670 703 1HG LYS 91 HG2 LYS 91 8.963 -9.942 -3.871 704 2HG LYS 91 HG1 LYS 91 10.102 -11.253 -4.190 705 1HD LYS 91 HD2 LYS 91 11.942 -9.788 -3.420 706 2HD LYS 91 HD1 LYS 91 10.751 -8.549 -3.018 707 1HE LYS 91 HE2 LYS 91 10.209 -11.208 -1.890 708 2HE LYS 91 HE1 LYS 91 11.672 -10.430 -1.287 709 1HZ LYS 91 HZ1 LYS 91 8.873 -9.579 -1.022 710 2HZ LYS 91 HZ2 LYS 91 10.089 -8.404 -1.019 711 3HZ LYS 91 HZ3 LYS 91 10.095 -9.630 0.147 712 H LEU 92 HN LEU 92 7.796 -8.205 -7.437 713 HA LEU 92 HA LEU 92 7.540 -7.764 -9.648 714 1HB LEU 92 HB2 LEU 92 9.733 -5.844 -8.924 715 2HB LEU 92 HB1 LEU 92 9.084 -5.923 -10.551 716 HG LEU 92 HG LEU 92 8.156 -4.153 -8.905 717 1HD1 LEU 92 HD11 LEU 92 7.098 -4.223 -10.941 718 2HD1 LEU 92 HD12 LEU 92 5.781 -4.666 -9.854 719 3HD1 LEU 92 HD13 LEU 92 6.632 -5.915 -10.764 720 1HD2 LEU 92 HD21 LEU 92 7.709 -5.550 -7.010 721 2HD2 LEU 92 HD22 LEU 92 6.712 -6.636 -7.978 722 3HD2 LEU 92 HD23 LEU 92 6.166 -4.989 -7.653 723 H ALA 93 HN ALA 93 11.033 -7.254 -9.613 724 HA ALA 93 HA ALA 93 11.699 -9.821 -10.640 725 1HB ALA 93 HB1 ALA 93 10.979 -9.409 -12.745 726 2HB ALA 93 HB2 ALA 93 12.542 -8.601 -12.873 727 3HB ALA 93 HB3 ALA 93 11.085 -7.659 -12.556 728 H LEU 94 HN LEU 94 12.596 -6.398 -10.495 729 HA LEU 94 HA LEU 94 14.523 -5.349 -9.897 730 1HB LEU 94 HB2 LEU 94 14.213 -7.253 -8.054 731 2HB LEU 94 HB1 LEU 94 15.703 -7.834 -8.774 732 HG LEU 94 HG LEU 94 16.486 -5.344 -8.399 733 1HD1 LEU 94 HD11 LEU 94 15.447 -4.775 -6.039 734 2HD1 LEU 94 HD12 LEU 94 14.056 -5.625 -6.713 735 3HD1 LEU 94 HD13 LEU 94 14.708 -4.208 -7.537 736 1HD2 LEU 94 HD21 LEU 94 16.296 -7.071 -5.960 737 2HD2 LEU 94 HD22 LEU 94 17.634 -6.064 -6.512 738 3HD2 LEU 94 HD23 LEU 94 17.260 -7.571 -7.350 739 H GLU 95 HN GLU 95 15.597 -4.851 -11.715 740 HA GLU 95 HA GLU 95 16.980 -6.895 -13.238 741 1HB GLU 95 HB2 GLU 95 16.765 -3.909 -13.662 742 2HB GLU 95 HB1 GLU 95 17.527 -5.034 -14.778 743 1HG GLU 95 HG2 GLU 95 15.542 -5.110 -15.777 744 2HG GLU 95 HG1 GLU 95 15.060 -6.151 -14.438 Start of MODEL 4 1 1H MET 1 HT1 MET 1 19.066 1.526 -5.403 2 2H MET 1 HT2 MET 1 20.443 2.247 -4.674 3 3H MET 1 HT3 MET 1 18.995 3.150 -4.860 4 HA MET 1 HA MET 1 19.594 0.948 -3.030 5 1HB MET 1 HB2 MET 1 18.811 2.549 -1.384 6 2HB MET 1 HB1 MET 1 20.040 3.300 -2.391 7 1HG MET 1 HG2 MET 1 18.645 4.966 -2.777 8 2HG MET 1 HG1 MET 1 17.593 3.845 -3.638 9 1HE MET 1 HE1 MET 1 16.768 6.018 0.188 10 2HE MET 1 HE2 MET 1 17.877 6.380 -1.135 11 3HE MET 1 HE3 MET 1 18.344 5.229 0.117 12 H SER 2 HN SER 2 17.940 -0.200 -2.079 13 HA SER 2 HA SER 2 15.518 -0.428 -3.622 14 1HB SER 2 HB2 SER 2 16.773 -1.940 -1.373 15 2HB SER 2 HB1 SER 2 15.040 -2.127 -1.640 16 HG SER 2 HG SER 2 16.218 -3.666 -2.825 17 H GLY 3 HN GLY 3 13.417 -0.033 -2.929 18 1HA GLY 3 HA2 GLY 3 12.916 1.055 -0.299 19 2HA GLY 3 HA1 GLY 3 12.813 2.241 -1.591 20 H LEU 4 HN LEU 4 10.679 1.481 0.122 21 HA LEU 4 HA LEU 4 8.716 0.819 -1.883 22 1HB LEU 4 HB2 LEU 4 9.412 -1.060 0.340 23 2HB LEU 4 HB1 LEU 4 7.754 -0.962 -0.221 24 HG LEU 4 HG LEU 4 10.161 -1.741 -1.866 25 1HD1 LEU 4 HD11 LEU 4 9.539 -3.893 -1.623 26 2HD1 LEU 4 HD12 LEU 4 7.819 -3.506 -1.577 27 3HD1 LEU 4 HD13 LEU 4 8.811 -3.291 -0.134 28 1HD2 LEU 4 HD21 LEU 4 8.379 -2.252 -3.597 29 2HD2 LEU 4 HD22 LEU 4 8.761 -0.550 -3.339 30 3HD2 LEU 4 HD23 LEU 4 7.299 -1.241 -2.636 31 H ARG 5 HN ARG 5 7.088 2.174 -1.562 32 HA ARG 5 HA ARG 5 6.603 3.158 1.171 33 1HB ARG 5 HB2 ARG 5 5.577 4.568 -1.262 34 2HB ARG 5 HB1 ARG 5 5.978 5.226 0.318 35 1HG ARG 5 HG2 ARG 5 8.411 4.483 -0.371 36 2HG ARG 5 HG1 ARG 5 7.738 4.629 -1.996 37 1HD ARG 5 HD2 ARG 5 7.338 6.901 -1.765 38 2HD ARG 5 HD1 ARG 5 7.347 6.825 -0.004 39 HE ARG 5 HE ARG 5 9.879 6.187 -1.208 40 1HH1 ARG 5 HH11 ARG 5 7.830 8.759 -0.040 41 2HH1 ARG 5 HH12 ARG 5 9.146 9.849 0.242 42 1HH2 ARG 5 HH21 ARG 5 11.612 7.619 -0.838 43 2HH2 ARG 5 HH22 ARG 5 11.293 9.202 -0.211 44 H VAL 6 HN VAL 6 4.733 2.713 2.121 45 HA VAL 6 HA VAL 6 2.480 1.815 0.447 46 HB VAL 6 HB VAL 6 3.127 0.754 3.200 47 1HG1 VAL 6 HG11 VAL 6 1.228 -0.457 3.098 48 2HG1 VAL 6 HG12 VAL 6 1.364 -0.721 1.360 49 3HG1 VAL 6 HG13 VAL 6 0.724 0.804 1.973 50 1HG2 VAL 6 HG21 VAL 6 4.843 -0.062 1.787 51 2HG2 VAL 6 HG22 VAL 6 3.709 -0.383 0.475 52 3HG2 VAL 6 HG23 VAL 6 3.666 -1.367 1.938 53 H TYR 7 HN TYR 7 0.789 3.128 0.623 54 HA TYR 7 HA TYR 7 0.654 5.080 2.733 55 1HB TYR 7 HB2 TYR 7 -0.972 4.501 0.280 56 2HB TYR 7 HB1 TYR 7 -1.602 5.586 1.515 57 HD1 TYR 7 HD1 TYR 7 0.665 5.230 -1.265 58 HD2 TYR 7 HD2 TYR 7 -0.304 7.660 2.090 59 HE1 TYR 7 HE1 TYR 7 1.951 7.084 -2.243 60 HE2 TYR 7 HE2 TYR 7 0.980 9.520 1.121 61 HH TYR 7 HH TYR 7 2.095 9.498 -2.109 62 H SER 8 HN SER 8 -0.826 5.231 4.372 63 HA SER 8 HA SER 8 -2.890 3.208 4.652 64 1HB SER 8 HB2 SER 8 -0.515 2.541 5.719 65 2HB SER 8 HB1 SER 8 -1.168 3.487 7.057 66 HG SER 8 HG SER 8 -1.661 1.030 6.668 67 H THR 9 HN THR 9 -3.974 3.573 6.940 68 HA THR 9 HA THR 9 -4.116 6.464 7.462 69 HB THR 9 HB THR 9 -6.017 5.953 6.073 70 HG1 THR 9 HG1 THR 9 -6.866 6.057 8.775 71 1HG2 THR 9 HG21 THR 9 -6.029 3.472 6.655 72 2HG2 THR 9 HG22 THR 9 -7.586 4.271 6.429 73 3HG2 THR 9 HG23 THR 9 -6.994 3.936 8.057 74 H SER 10 HN SER 10 -3.115 6.467 9.413 75 HA SER 10 HA SER 10 -3.415 4.484 11.396 76 1HB SER 10 HB2 SER 10 -2.225 7.202 11.254 77 2HB SER 10 HB1 SER 10 -2.619 6.593 12.861 78 HG SER 10 HG SER 10 -0.468 6.067 12.080 79 H VAL 11 HN VAL 11 -4.844 7.733 11.108 80 HA VAL 11 HA VAL 11 -6.795 6.993 13.178 81 HB VAL 11 HB VAL 11 -6.253 9.755 12.088 82 1HG1 VAL 11 HG11 VAL 11 -8.269 10.007 13.100 83 2HG1 VAL 11 HG12 VAL 11 -7.248 10.158 14.530 84 3HG1 VAL 11 HG13 VAL 11 -8.032 8.622 14.165 85 1HG2 VAL 11 HG21 VAL 11 -4.231 8.914 13.131 86 2HG2 VAL 11 HG22 VAL 11 -5.143 8.433 14.562 87 3HG2 VAL 11 HG23 VAL 11 -4.975 10.141 14.156 88 H THR 12 HN THR 12 -8.600 6.164 12.347 89 HA THR 12 HA THR 12 -10.124 7.686 10.434 90 HB THR 12 HB THR 12 -8.822 6.489 8.839 91 HG1 THR 12 HG1 THR 12 -11.196 4.978 9.143 92 1HG2 THR 12 HG21 THR 12 -7.792 4.750 10.029 93 2HG2 THR 12 HG22 THR 12 -8.828 3.964 8.837 94 3HG2 THR 12 HG23 THR 12 -9.339 4.063 10.522 95 H GLY 13 HN GLY 13 -12.162 7.620 11.098 96 1HA GLY 13 HA2 GLY 13 -13.038 5.898 13.166 97 2HA GLY 13 HA1 GLY 13 -14.059 6.965 12.215 98 H SER 14 HN SER 14 -13.009 5.545 9.730 99 HA SER 14 HA SER 14 -15.155 3.841 9.299 100 1HB SER 14 HB2 SER 14 -13.510 4.870 7.600 101 2HB SER 14 HB1 SER 14 -12.504 3.458 7.921 102 HG SER 14 HG SER 14 -15.208 3.374 7.059 103 H ARG 15 HN ARG 15 -15.276 1.545 9.088 104 HA ARG 15 HA ARG 15 -13.440 0.124 10.874 105 1HB ARG 15 HB2 ARG 15 -16.371 -0.245 10.385 106 2HB ARG 15 HB1 ARG 15 -15.399 -1.482 11.169 107 1HG ARG 15 HG2 ARG 15 -14.757 0.744 12.616 108 2HG ARG 15 HG1 ARG 15 -16.454 1.029 12.225 109 1HD ARG 15 HD2 ARG 15 -17.083 -0.431 13.775 110 2HD ARG 15 HD1 ARG 15 -16.133 -1.698 13.000 111 HE ARG 15 HE ARG 15 -15.442 -0.208 15.352 112 1HH1 ARG 15 HH11 ARG 15 -14.171 -2.017 12.651 113 2HH1 ARG 15 HH12 ARG 15 -12.694 -2.425 13.459 114 1HH2 ARG 15 HH21 ARG 15 -13.500 -0.744 16.416 115 2HH2 ARG 15 HH22 ARG 15 -12.313 -1.703 15.596 116 H GLU 16 HN GLU 16 -14.541 0.377 7.797 117 HA GLU 16 HA GLU 16 -13.882 -2.370 7.046 118 1HB GLU 16 HB2 GLU 16 -14.886 -0.209 5.200 119 2HB GLU 16 HB1 GLU 16 -14.939 -1.950 4.960 120 1HG GLU 16 HG2 GLU 16 -17.081 -1.673 5.576 121 2HG GLU 16 HG1 GLU 16 -16.393 -1.781 7.196 122 H ILE 17 HN ILE 17 -12.781 0.922 6.714 123 HA ILE 17 HA ILE 17 -10.832 0.433 4.697 124 HB ILE 17 HB ILE 17 -10.990 2.669 6.725 125 1HG1 ILE 17 HG12 ILE 17 -11.942 2.498 3.857 126 2HG1 ILE 17 HG11 ILE 17 -12.965 2.564 5.288 127 1HG2 ILE 17 HG21 ILE 17 -9.303 2.314 4.257 128 2HG2 ILE 17 HG22 ILE 17 -8.766 2.612 5.911 129 3HG2 ILE 17 HG23 ILE 17 -9.590 3.884 5.008 130 1HD1 ILE 17 HD11 ILE 17 -13.053 4.739 4.663 131 2HD1 ILE 17 HD12 ILE 17 -11.447 4.713 3.935 132 3HD1 ILE 17 HD13 ILE 17 -11.620 4.806 5.688 133 H LYS 18 HN LYS 18 -10.877 0.186 8.179 134 HA LYS 18 HA LYS 18 -8.068 0.111 8.576 135 1HB LYS 18 HB2 LYS 18 -10.467 -0.231 10.181 136 2HB LYS 18 HB1 LYS 18 -9.210 -1.369 10.643 137 1HG LYS 18 HG2 LYS 18 -7.844 0.248 11.448 138 2HG LYS 18 HG1 LYS 18 -8.395 1.451 10.279 139 1HD LYS 18 HD2 LYS 18 -10.299 1.967 11.530 140 2HD LYS 18 HD1 LYS 18 -10.204 0.472 12.463 141 1HE LYS 18 HE2 LYS 18 -9.528 2.610 13.656 142 2HE LYS 18 HE1 LYS 18 -8.397 1.261 13.743 143 1HZ LYS 18 HZ1 LYS 18 -6.849 2.397 12.630 144 2HZ LYS 18 HZ2 LYS 18 -7.756 3.774 13.006 145 3HZ LYS 18 HZ3 LYS 18 -7.950 3.020 11.505 146 H SER 19 HN SER 19 -10.513 -2.354 7.966 147 HA SER 19 HA SER 19 -8.967 -4.628 8.469 148 1HB SER 19 HB2 SER 19 -11.541 -4.233 7.755 149 2HB SER 19 HB1 SER 19 -10.883 -4.777 6.212 150 HG SER 19 HG SER 19 -10.877 -6.716 6.990 151 H GLN 20 HN GLN 20 -9.094 -2.497 5.702 152 HA GLN 20 HA GLN 20 -7.736 -4.189 3.879 153 1HB GLN 20 HB2 GLN 20 -8.617 -1.394 3.971 154 2HB GLN 20 HB1 GLN 20 -7.142 -1.636 3.045 155 1HG GLN 20 HG2 GLN 20 -8.280 -2.451 1.336 156 2HG GLN 20 HG1 GLN 20 -9.055 -3.655 2.365 157 1HE2 GLN 20 HE21 GLN 20 -10.769 -2.560 3.869 158 2HE2 GLN 20 HE22 GLN 20 -11.892 -1.537 3.045 159 H GLN 21 HN GLN 21 -6.547 -1.293 5.596 160 HA GLN 21 HA GLN 21 -3.845 -1.676 4.980 161 1HB GLN 21 HB2 GLN 21 -3.440 -0.186 6.985 162 2HB GLN 21 HB1 GLN 21 -4.515 0.464 5.754 163 1HG GLN 21 HG2 GLN 21 -6.399 0.201 7.075 164 2HG GLN 21 HG1 GLN 21 -5.621 -0.987 8.120 165 1HE2 GLN 21 HE21 GLN 21 -6.958 1.763 8.449 166 2HE2 GLN 21 HE22 GLN 21 -5.869 2.609 9.489 167 H SER 22 HN SER 22 -5.854 -3.039 7.484 168 HA SER 22 HA SER 22 -3.761 -3.996 9.146 169 1HB SER 22 HB2 SER 22 -6.087 -3.722 9.938 170 2HB SER 22 HB1 SER 22 -6.594 -5.030 8.868 171 HG SER 22 HG SER 22 -4.763 -5.221 11.030 172 H GLU 23 HN GLU 23 -5.750 -5.551 6.642 173 HA GLU 23 HA GLU 23 -4.595 -8.097 6.810 174 1HB GLU 23 HB2 GLU 23 -6.707 -7.316 5.542 175 2HB GLU 23 HB1 GLU 23 -5.603 -6.930 4.230 176 1HG GLU 23 HG2 GLU 23 -6.629 -9.124 3.947 177 2HG GLU 23 HG1 GLU 23 -4.878 -9.235 4.119 178 H VAL 24 HN VAL 24 -3.805 -5.354 4.691 179 HA VAL 24 HA VAL 24 -1.741 -6.594 3.258 180 HB VAL 24 HB VAL 24 -1.906 -3.659 3.953 181 1HG1 VAL 24 HG11 VAL 24 0.091 -3.741 2.900 182 2HG1 VAL 24 HG12 VAL 24 -0.920 -3.763 1.455 183 3HG1 VAL 24 HG13 VAL 24 -0.272 -5.271 2.100 184 1HG2 VAL 24 HG21 VAL 24 -2.923 -4.522 1.348 185 2HG2 VAL 24 HG22 VAL 24 -3.587 -3.363 2.499 186 3HG2 VAL 24 HG23 VAL 24 -3.880 -5.088 2.717 187 H THR 25 HN THR 25 -1.552 -4.461 6.109 188 HA THR 25 HA THR 25 1.224 -4.610 6.446 189 HB THR 25 HB THR 25 -0.854 -4.240 8.611 190 HG1 THR 25 HG1 THR 25 0.266 -2.431 6.754 191 1HG2 THR 25 HG21 THR 25 0.796 -3.809 10.009 192 2HG2 THR 25 HG22 THR 25 1.449 -2.597 8.907 193 3HG2 THR 25 HG23 THR 25 1.954 -4.280 8.765 194 H ARG 26 HN ARG 26 -1.343 -6.773 7.400 195 HA ARG 26 HA ARG 26 -0.006 -8.278 9.340 196 1HB ARG 26 HB2 ARG 26 -2.483 -8.374 8.034 197 2HB ARG 26 HB1 ARG 26 -1.730 -9.927 7.699 198 1HG ARG 26 HG2 ARG 26 -2.034 -10.647 9.784 199 2HG ARG 26 HG1 ARG 26 -1.472 -9.127 10.484 200 1HD ARG 26 HD2 ARG 26 -3.630 -8.981 11.146 201 2HD ARG 26 HD1 ARG 26 -3.839 -8.320 9.525 202 HE ARG 26 HE ARG 26 -5.017 -10.198 8.943 203 1HH1 ARG 26 HH11 ARG 26 -3.353 -10.786 11.954 204 2HH1 ARG 26 HH12 ARG 26 -4.157 -12.291 12.249 205 1HH2 ARG 26 HH21 ARG 26 -6.075 -12.177 9.329 206 2HH2 ARG 26 HH22 ARG 26 -5.702 -13.081 10.759 207 H ILE 27 HN ILE 27 -0.210 -8.740 5.823 208 HA ILE 27 HA ILE 27 1.429 -11.066 5.791 209 HB ILE 27 HB ILE 27 0.913 -9.168 3.500 210 1HG1 ILE 27 HG12 ILE 27 -0.660 -11.658 3.722 211 2HG1 ILE 27 HG11 ILE 27 -1.043 -10.423 4.918 212 1HG2 ILE 27 HG21 ILE 27 1.972 -11.956 3.717 213 2HG2 ILE 27 HG22 ILE 27 2.594 -10.591 2.791 214 3HG2 ILE 27 HG23 ILE 27 1.139 -11.430 2.254 215 1HD1 ILE 27 HD11 ILE 27 -1.231 -10.243 1.932 216 2HD1 ILE 27 HD12 ILE 27 -1.272 -8.820 2.973 217 3HD1 ILE 27 HD13 ILE 27 -2.513 -10.064 3.131 218 H LEU 28 HN LEU 28 2.050 -7.664 4.940 219 HA LEU 28 HA LEU 28 4.757 -7.958 4.288 220 1HB LEU 28 HB2 LEU 28 3.418 -5.535 5.491 221 2HB LEU 28 HB1 LEU 28 4.927 -5.551 4.599 222 HG LEU 28 HG LEU 28 2.383 -6.481 3.308 223 1HD1 LEU 28 HD11 LEU 28 1.858 -4.290 4.164 224 2HD1 LEU 28 HD12 LEU 28 2.112 -4.193 2.421 225 3HD1 LEU 28 HD13 LEU 28 3.370 -3.642 3.527 226 1HD2 LEU 28 HD21 LEU 28 4.689 -6.865 2.319 227 2HD2 LEU 28 HD22 LEU 28 4.770 -5.117 2.095 228 3HD2 LEU 28 HD23 LEU 28 3.512 -6.052 1.287 229 H ASP 29 HN ASP 29 3.262 -6.939 7.354 230 HA ASP 29 HA ASP 29 5.634 -6.664 8.815 231 1HB ASP 29 HB2 ASP 29 3.273 -5.909 9.455 232 2HB ASP 29 HB1 ASP 29 3.014 -7.560 10.011 233 H GLY 30 HN GLY 30 3.417 -9.437 8.546 234 1HA GLY 30 HA2 GLY 30 4.792 -11.173 10.258 235 2HA GLY 30 HA1 GLY 30 3.743 -11.675 8.941 236 H LYS 31 HN LYS 31 5.306 -10.422 6.864 237 HA LYS 31 HA LYS 31 7.174 -12.531 6.407 238 1HB LYS 31 HB2 LYS 31 6.193 -10.166 4.903 239 2HB LYS 31 HB1 LYS 31 7.761 -10.811 4.436 240 1HG LYS 31 HG2 LYS 31 6.881 -12.766 3.651 241 2HG LYS 31 HG1 LYS 31 5.490 -12.704 4.736 242 1HD LYS 31 HD2 LYS 31 4.426 -12.150 2.807 243 2HD LYS 31 HD1 LYS 31 4.969 -10.535 3.268 244 1HE LYS 31 HE2 LYS 31 5.808 -10.498 1.179 245 2HE LYS 31 HE1 LYS 31 7.130 -11.408 1.909 246 1HZ LYS 31 HZ1 LYS 31 6.546 -12.641 0.047 247 2HZ LYS 31 HZ2 LYS 31 4.885 -12.414 0.276 248 3HZ LYS 31 HZ3 LYS 31 5.746 -13.448 1.301 249 H ARG 32 HN ARG 32 7.392 -9.654 8.130 250 HA ARG 32 HA ARG 32 9.119 -8.577 9.139 251 1HB ARG 32 HB2 ARG 32 10.863 -10.813 8.096 252 2HB ARG 32 HB1 ARG 32 11.228 -9.721 9.425 253 1HG ARG 32 HG2 ARG 32 8.788 -11.422 9.576 254 2HG ARG 32 HG1 ARG 32 10.369 -12.143 9.882 255 1HD ARG 32 HD2 ARG 32 9.908 -9.594 11.254 256 2HD ARG 32 HD1 ARG 32 8.828 -10.896 11.753 257 HE ARG 32 HE ARG 32 11.583 -11.686 11.670 258 1HH1 ARG 32 HH11 ARG 32 9.130 -10.137 13.611 259 2HH1 ARG 32 HH12 ARG 32 9.913 -10.497 15.112 260 1HH2 ARG 32 HH21 ARG 32 12.614 -12.162 13.644 261 2HH2 ARG 32 HH22 ARG 32 11.891 -11.647 15.132 262 H ILE 33 HN ILE 33 8.374 -7.678 6.649 263 HA ILE 33 HA ILE 33 10.756 -7.257 5.058 264 HB ILE 33 HB ILE 33 8.026 -6.031 4.667 265 1HG1 ILE 33 HG12 ILE 33 9.171 -8.588 3.524 266 2HG1 ILE 33 HG11 ILE 33 7.844 -8.471 4.676 267 1HG2 ILE 33 HG21 ILE 33 10.437 -6.333 2.893 268 2HG2 ILE 33 HG22 ILE 33 9.653 -4.843 3.419 269 3HG2 ILE 33 HG23 ILE 33 8.835 -5.917 2.284 270 1HD1 ILE 33 HD11 ILE 33 7.303 -8.857 2.199 271 2HD1 ILE 33 HD12 ILE 33 7.673 -7.143 2.004 272 3HD1 ILE 33 HD13 ILE 33 6.373 -7.648 3.084 273 H GLN 34 HN GLN 34 11.427 -5.104 4.443 274 HA GLN 34 HA GLN 34 11.262 -3.245 6.711 275 1HB GLN 34 HB2 GLN 34 13.292 -3.362 4.473 276 2HB GLN 34 HB1 GLN 34 13.339 -2.269 5.850 277 1HG GLN 34 HG2 GLN 34 14.588 -3.777 6.878 278 2HG GLN 34 HG1 GLN 34 13.147 -4.786 6.989 279 1HE2 GLN 34 HE21 GLN 34 12.771 -6.326 5.284 280 2HE2 GLN 34 HE22 GLN 34 14.111 -7.004 4.431 281 H TYR 35 HN TYR 35 9.177 -3.441 4.738 282 HA TYR 35 HA TYR 35 9.390 -1.359 2.826 283 1HB TYR 35 HB2 TYR 35 7.082 -1.733 2.379 284 2HB TYR 35 HB1 TYR 35 7.772 -3.306 2.761 285 HD1 TYR 35 HD1 TYR 35 7.446 -4.190 5.152 286 HD2 TYR 35 HD2 TYR 35 5.222 -0.939 3.546 287 HE1 TYR 35 HE1 TYR 35 5.730 -4.518 6.881 288 HE2 TYR 35 HE2 TYR 35 3.499 -1.257 5.271 289 HH TYR 35 HH TYR 35 3.411 -4.028 7.290 290 H GLN 36 HN GLN 36 8.252 0.660 2.798 291 HA GLN 36 HA GLN 36 8.317 1.983 5.381 292 1HB GLN 36 HB2 GLN 36 9.116 2.792 2.924 293 2HB GLN 36 HB1 GLN 36 7.500 3.483 2.960 294 1HG GLN 36 HG2 GLN 36 9.289 5.021 3.715 295 2HG GLN 36 HG1 GLN 36 8.011 4.765 4.901 296 1HE2 GLN 36 HE21 GLN 36 9.294 5.352 6.627 297 2HE2 GLN 36 HE22 GLN 36 10.586 4.363 7.209 298 H LEU 37 HN LEU 37 6.509 3.750 5.622 299 HA LEU 37 HA LEU 37 3.912 2.761 4.764 300 1HB LEU 37 HB2 LEU 37 4.679 1.817 7.050 301 2HB LEU 37 HB1 LEU 37 4.324 3.421 7.655 302 HG LEU 37 HG LEU 37 2.239 1.941 6.102 303 1HD1 LEU 37 HD11 LEU 37 3.328 0.579 8.072 304 2HD1 LEU 37 HD12 LEU 37 1.580 0.614 7.842 305 3HD1 LEU 37 HD13 LEU 37 2.330 1.646 9.060 306 1HD2 LEU 37 HD21 LEU 37 2.389 4.215 8.000 307 2HD2 LEU 37 HD22 LEU 37 0.937 3.215 8.032 308 3HD2 LEU 37 HD23 LEU 37 1.421 4.018 6.539 309 H VAL 38 HN VAL 38 3.863 4.629 3.517 310 HA VAL 38 HA VAL 38 4.124 7.219 4.746 311 HB VAL 38 HB VAL 38 3.211 8.031 2.505 312 1HG1 VAL 38 HG11 VAL 38 5.426 7.010 1.362 313 2HG1 VAL 38 HG12 VAL 38 5.777 6.693 3.061 314 3HG1 VAL 38 HG13 VAL 38 5.445 8.339 2.522 315 1HG2 VAL 38 HG21 VAL 38 2.511 5.376 2.201 316 2HG2 VAL 38 HG22 VAL 38 3.926 5.554 1.166 317 3HG2 VAL 38 HG23 VAL 38 2.527 6.601 0.935 318 H ASP 39 HN ASP 39 2.562 6.882 6.410 319 HA ASP 39 HA ASP 39 -0.219 6.580 5.729 320 1HB ASP 39 HB2 ASP 39 1.116 5.971 7.949 321 2HB ASP 39 HB1 ASP 39 0.614 7.596 8.405 322 H ILE 40 HN ILE 40 -1.468 8.136 4.994 323 HA ILE 40 HA ILE 40 -0.661 10.877 4.993 324 HB ILE 40 HB ILE 40 -2.820 11.307 3.891 325 1HG1 ILE 40 HG12 ILE 40 -3.304 8.340 4.239 326 2HG1 ILE 40 HG11 ILE 40 -4.123 9.601 5.155 327 1HG2 ILE 40 HG21 ILE 40 -2.036 8.944 2.387 328 2HG2 ILE 40 HG22 ILE 40 -0.657 9.912 2.906 329 3HG2 ILE 40 HG23 ILE 40 -1.941 10.649 1.948 330 1HD1 ILE 40 HD11 ILE 40 -4.348 10.106 2.340 331 2HD1 ILE 40 HD12 ILE 40 -5.614 9.871 3.546 332 3HD1 ILE 40 HD13 ILE 40 -4.905 8.477 2.728 333 H SER 41 HN SER 41 -2.113 9.004 7.350 334 HA SER 41 HA SER 41 -3.874 11.047 8.393 335 1HB SER 41 HB2 SER 41 -3.014 8.442 9.673 336 2HB SER 41 HB1 SER 41 -4.372 9.456 10.160 337 HG SER 41 HG SER 41 -5.263 7.920 8.896 338 H GLN 42 HN GLN 42 -1.687 12.383 8.267 339 HA GLN 42 HA GLN 42 -0.961 12.896 10.988 340 1HB GLN 42 HB2 GLN 42 0.537 10.956 10.208 341 2HB GLN 42 HB1 GLN 42 1.326 12.145 9.181 342 1HG GLN 42 HG2 GLN 42 1.098 13.122 11.878 343 2HG GLN 42 HG1 GLN 42 1.898 11.552 11.842 344 1HE2 GLN 42 HE21 GLN 42 3.998 11.889 11.980 345 2HE2 GLN 42 HE22 GLN 42 4.904 13.041 11.066 346 H ASP 43 HN ASP 43 0.295 13.380 7.684 347 HA ASP 43 HA ASP 43 0.439 16.263 8.253 348 1HB ASP 43 HB2 ASP 43 2.502 14.829 7.489 349 2HB ASP 43 HB1 ASP 43 1.782 15.001 5.891 350 H ASN 44 HN ASN 44 -0.927 17.584 7.257 351 HA ASN 44 HA ASN 44 -3.010 16.688 5.624 352 1HB ASN 44 HB2 ASN 44 -1.923 19.365 6.370 353 2HB ASN 44 HB1 ASN 44 -3.074 19.276 5.040 354 1HD2 ASN 44 HD21 ASN 44 -4.513 20.509 6.328 355 2HD2 ASN 44 HD22 ASN 44 -5.436 19.760 7.582 356 H ALA 45 HN ALA 45 0.235 17.497 4.833 357 HA ALA 45 HA ALA 45 -0.277 18.087 2.059 358 1HB ALA 45 HB1 ALA 45 1.610 19.192 2.700 359 2HB ALA 45 HB2 ALA 45 2.342 17.727 2.045 360 3HB ALA 45 HB3 ALA 45 2.131 17.904 3.787 361 H LEU 46 HN LEU 46 -0.457 15.269 3.725 362 HA LEU 46 HA LEU 46 0.814 13.620 1.680 363 1HB LEU 46 HB2 LEU 46 -0.268 13.129 4.419 364 2HB LEU 46 HB1 LEU 46 -0.169 11.785 3.299 365 HG LEU 46 HG LEU 46 2.254 13.473 3.762 366 1HD1 LEU 46 HD11 LEU 46 1.900 11.091 5.476 367 2HD1 LEU 46 HD12 LEU 46 1.006 12.541 5.934 368 3HD1 LEU 46 HD13 LEU 46 2.762 12.598 5.785 369 1HD2 LEU 46 HD21 LEU 46 1.716 10.609 3.010 370 2HD2 LEU 46 HD22 LEU 46 3.320 11.216 3.421 371 3HD2 LEU 46 HD23 LEU 46 2.460 11.871 2.028 372 H ARG 47 HN ARG 47 -2.309 14.678 2.753 373 HA ARG 47 HA ARG 47 -3.813 12.666 1.382 374 1HB ARG 47 HB2 ARG 47 -4.432 15.181 2.849 375 2HB ARG 47 HB1 ARG 47 -5.641 14.573 1.727 376 1HG ARG 47 HG2 ARG 47 -6.360 13.418 3.504 377 2HG ARG 47 HG1 ARG 47 -5.046 12.316 3.091 378 1HD ARG 47 HD2 ARG 47 -3.596 13.329 4.695 379 2HD ARG 47 HD1 ARG 47 -4.741 14.638 4.984 380 HE ARG 47 HE ARG 47 -4.738 12.079 6.215 381 1HH1 ARG 47 HH11 ARG 47 -6.869 14.584 5.046 382 2HH1 ARG 47 HH12 ARG 47 -8.153 14.172 6.133 383 1HH2 ARG 47 HH21 ARG 47 -6.426 11.536 7.645 384 2HH2 ARG 47 HH22 ARG 47 -7.901 12.443 7.609 385 H ASP 48 HN ASP 48 -3.066 16.089 0.725 386 HA ASP 48 HA ASP 48 -4.314 15.936 -1.861 387 1HB ASP 48 HB2 ASP 48 -3.891 18.002 -0.141 388 2HB ASP 48 HB1 ASP 48 -2.598 18.259 -1.308 389 H GLU 49 HN GLU 49 -1.528 14.798 -0.784 390 HA GLU 49 HA GLU 49 0.015 15.434 -3.194 391 1HB GLU 49 HB2 GLU 49 1.242 15.767 -1.142 392 2HB GLU 49 HB1 GLU 49 0.836 14.150 -0.583 393 1HG GLU 49 HG2 GLU 49 3.076 14.077 -1.316 394 2HG GLU 49 HG1 GLU 49 2.117 13.261 -2.550 395 H MET 50 HN MET 50 -1.609 12.862 -1.516 396 HA MET 50 HA MET 50 -0.536 10.784 -3.220 397 1HB MET 50 HB2 MET 50 -1.296 10.604 -0.729 398 2HB MET 50 HB1 MET 50 -2.906 10.433 -1.415 399 1HG MET 50 HG2 MET 50 -0.630 8.696 -2.294 400 2HG MET 50 HG1 MET 50 -1.600 8.312 -0.873 401 1HE MET 50 HE1 MET 50 -5.043 7.422 -2.240 402 2HE MET 50 HE2 MET 50 -4.521 8.900 -1.431 403 3HE MET 50 HE3 MET 50 -3.915 7.336 -0.888 404 H ARG 51 HN ARG 51 -3.468 12.691 -2.928 405 HA ARG 51 HA ARG 51 -5.123 11.226 -4.646 406 1HB ARG 51 HB2 ARG 51 -5.094 13.914 -3.482 407 2HB ARG 51 HB1 ARG 51 -5.891 13.843 -5.048 408 1HG ARG 51 HG2 ARG 51 -7.554 13.521 -3.394 409 2HG ARG 51 HG1 ARG 51 -7.274 11.955 -4.159 410 1HD ARG 51 HD2 ARG 51 -5.739 11.389 -2.278 411 2HD ARG 51 HD1 ARG 51 -6.218 12.896 -1.496 412 HE ARG 51 HE ARG 51 -8.191 11.911 -0.882 413 1HH1 ARG 51 HH11 ARG 51 -6.681 9.964 -3.353 414 2HH1 ARG 51 HH12 ARG 51 -7.810 8.661 -3.192 415 1HH2 ARG 51 HH21 ARG 51 -9.676 10.198 -0.668 416 2HH2 ARG 51 HH22 ARG 51 -9.510 8.794 -1.668 417 H ALA 52 HN ALA 52 -2.635 13.618 -5.299 418 HA ALA 52 HA ALA 52 -3.256 13.724 -8.126 419 1HB ALA 52 HB1 ALA 52 -1.483 15.323 -8.295 420 2HB ALA 52 HB2 ALA 52 -0.869 14.887 -6.700 421 3HB ALA 52 HB3 ALA 52 -2.426 15.702 -6.854 422 H LEU 53 HN LEU 53 -0.556 12.570 -6.113 423 HA LEU 53 HA LEU 53 1.018 11.527 -8.169 424 1HB LEU 53 HB2 LEU 53 0.846 11.231 -5.251 425 2HB LEU 53 HB1 LEU 53 1.548 9.852 -6.074 426 HG LEU 53 HG LEU 53 3.214 11.518 -5.265 427 1HD1 LEU 53 HD11 LEU 53 3.880 10.029 -6.998 428 2HD1 LEU 53 HD12 LEU 53 4.464 11.637 -7.429 429 3HD1 LEU 53 HD13 LEU 53 3.033 10.977 -8.220 430 1HD2 LEU 53 HD21 LEU 53 1.992 13.561 -5.617 431 2HD2 LEU 53 HD22 LEU 53 1.910 13.259 -7.353 432 3HD2 LEU 53 HD23 LEU 53 3.463 13.599 -6.589 433 H ALA 54 HN ALA 54 -1.825 10.263 -6.614 434 HA ALA 54 HA ALA 54 -1.465 7.606 -7.724 435 1HB ALA 54 HB1 ALA 54 -2.413 7.630 -5.563 436 2HB ALA 54 HB2 ALA 54 -3.723 7.207 -6.665 437 3HB ALA 54 HB3 ALA 54 -3.608 8.844 -6.019 438 H GLY 55 HN GLY 55 -2.723 10.551 -8.806 439 1HA GLY 55 HA2 GLY 55 -4.011 11.136 -10.616 440 2HA GLY 55 HA1 GLY 55 -3.513 9.593 -11.297 441 H ASN 56 HN ASN 56 -5.546 10.415 -8.501 442 HA ASN 56 HA ASN 56 -8.025 9.850 -9.632 443 1HB ASN 56 HB2 ASN 56 -7.146 7.548 -9.888 444 2HB ASN 56 HB1 ASN 56 -6.835 7.487 -8.157 445 1HD2 ASN 56 HD21 ASN 56 -8.330 6.546 -6.985 446 2HD2 ASN 56 HD22 ASN 56 -9.998 6.374 -7.403 447 HA PRO 57 HA PRO 57 -8.577 11.618 -5.629 448 1HB PRO 57 HB2 PRO 57 -10.984 12.776 -6.528 449 2HB PRO 57 HB1 PRO 57 -9.405 13.542 -6.435 450 1HG PRO 57 HG2 PRO 57 -10.822 12.993 -8.764 451 2HG PRO 57 HG1 PRO 57 -9.092 13.366 -8.664 452 1HD PRO 57 HD2 PRO 57 -10.456 10.725 -8.891 453 2HD PRO 57 HD1 PRO 57 -8.920 11.278 -9.596 454 H LYS 58 HN LYS 58 -9.646 8.908 -6.508 455 HA LYS 58 HA LYS 58 -11.858 8.804 -4.578 456 1HB LYS 58 HB2 LYS 58 -11.734 7.751 -7.356 457 2HB LYS 58 HB1 LYS 58 -12.525 6.745 -6.151 458 1HG LYS 58 HG2 LYS 58 -13.689 9.116 -5.627 459 2HG LYS 58 HG1 LYS 58 -13.382 9.287 -7.356 460 1HD LYS 58 HD2 LYS 58 -14.476 7.046 -7.668 461 2HD LYS 58 HD1 LYS 58 -14.952 7.121 -5.970 462 1HE LYS 58 HE2 LYS 58 -15.799 9.540 -6.846 463 2HE LYS 58 HE1 LYS 58 -16.009 8.569 -8.303 464 1HZ LYS 58 HZ1 LYS 58 -17.073 6.955 -6.480 465 2HZ LYS 58 HZ2 LYS 58 -17.972 8.101 -7.341 466 3HZ LYS 58 HZ3 LYS 58 -17.433 8.451 -5.776 467 H ALA 59 HN ALA 59 -8.772 7.931 -5.158 468 HA ALA 59 HA ALA 59 -8.600 5.199 -4.643 469 1HB ALA 59 HB1 ALA 59 -6.536 6.994 -3.489 470 2HB ALA 59 HB2 ALA 59 -6.794 7.042 -5.233 471 3HB ALA 59 HB3 ALA 59 -6.353 5.526 -4.449 472 H THR 60 HN THR 60 -7.020 4.871 -2.415 473 HA THR 60 HA THR 60 -8.558 5.797 -0.114 474 HB THR 60 HB THR 60 -9.000 3.610 0.732 475 HG1 THR 60 HG1 THR 60 -7.522 2.603 -1.468 476 1HG2 THR 60 HG21 THR 60 -9.607 3.068 -2.123 477 2HG2 THR 60 HG22 THR 60 -10.370 4.448 -1.334 478 3HG2 THR 60 HG23 THR 60 -10.600 2.824 -0.686 479 HA PRO 61 HA PRO 61 -4.798 5.923 2.159 480 1HB PRO 61 HB2 PRO 61 -5.723 3.782 4.006 481 2HB PRO 61 HB1 PRO 61 -5.141 5.410 4.367 482 1HG PRO 61 HG2 PRO 61 -7.736 4.828 4.518 483 2HG PRO 61 HG1 PRO 61 -7.185 6.392 3.889 484 1HD PRO 61 HD2 PRO 61 -8.220 4.011 2.416 485 2HD PRO 61 HD1 PRO 61 -8.463 5.738 2.083 486 HA PRO 62 HA PRO 62 -3.160 1.386 2.051 487 1HB PRO 62 HB2 PRO 62 -4.763 -0.556 1.060 488 2HB PRO 62 HB1 PRO 62 -4.756 -0.100 2.768 489 1HG PRO 62 HG2 PRO 62 -6.659 0.702 0.601 490 2HG PRO 62 HG1 PRO 62 -7.005 0.213 2.270 491 1HD PRO 62 HD2 PRO 62 -6.962 2.804 1.477 492 2HD PRO 62 HD1 PRO 62 -6.510 2.295 3.114 493 H GLN 63 HN GLN 63 -1.925 2.336 0.393 494 HA GLN 63 HA GLN 63 -2.372 1.147 -2.230 495 1HB GLN 63 HB2 GLN 63 -1.650 4.055 -2.152 496 2HB GLN 63 HB1 GLN 63 -2.335 3.118 -3.471 497 1HG GLN 63 HG2 GLN 63 -3.862 3.716 -0.961 498 2HG GLN 63 HG1 GLN 63 -3.845 4.808 -2.344 499 1HE2 GLN 63 HE21 GLN 63 -4.015 3.178 -4.467 500 2HE2 GLN 63 HE22 GLN 63 -5.484 2.271 -4.433 501 H ILE 64 HN ILE 64 -0.492 0.761 -3.370 502 HA ILE 64 HA ILE 64 1.966 1.075 -1.816 503 HB ILE 64 HB ILE 64 1.617 -0.534 -4.340 504 1HG1 ILE 64 HG12 ILE 64 1.619 -2.426 -2.453 505 2HG1 ILE 64 HG11 ILE 64 0.865 -1.136 -1.522 506 1HG2 ILE 64 HG21 ILE 64 3.510 -1.778 -2.863 507 2HG2 ILE 64 HG22 ILE 64 3.776 -0.098 -2.394 508 3HG2 ILE 64 HG23 ILE 64 3.852 -0.562 -4.094 509 1HD1 ILE 64 HD11 ILE 64 -0.602 -2.810 -2.845 510 2HD1 ILE 64 HD12 ILE 64 -0.177 -1.809 -4.233 511 3HD1 ILE 64 HD13 ILE 64 -1.010 -1.095 -2.852 512 H VAL 65 HN VAL 65 3.812 2.043 -2.600 513 HA VAL 65 HA VAL 65 3.733 3.292 -5.241 514 HB VAL 65 HB VAL 65 4.248 4.842 -2.699 515 1HG1 VAL 65 HG11 VAL 65 4.036 6.493 -5.017 516 2HG1 VAL 65 HG12 VAL 65 5.276 5.272 -5.292 517 3HG1 VAL 65 HG13 VAL 65 5.381 6.333 -3.889 518 1HG2 VAL 65 HG21 VAL 65 1.919 4.549 -4.483 519 2HG2 VAL 65 HG22 VAL 65 2.306 6.193 -3.978 520 3HG2 VAL 65 HG23 VAL 65 1.993 4.950 -2.767 521 H ASN 66 HN ASN 66 5.708 3.475 -6.192 522 HA ASN 66 HA ASN 66 7.945 2.247 -4.761 523 1HB ASN 66 HB2 ASN 66 6.973 1.820 -7.292 524 2HB ASN 66 HB1 ASN 66 8.331 2.899 -7.600 525 1HD2 ASN 66 HD21 ASN 66 7.531 0.030 -5.670 526 2HD2 ASN 66 HD22 ASN 66 9.030 -0.782 -5.944 527 H GLY 67 HN GLY 67 7.373 4.823 -3.938 528 1HA GLY 67 HA2 GLY 67 9.122 6.395 -3.330 529 2HA GLY 67 HA1 GLY 67 9.727 6.270 -4.975 530 H ASP 68 HN ASP 68 8.282 7.096 -6.703 531 HA ASP 68 HA ASP 68 6.443 9.184 -5.778 532 1HB ASP 68 HB2 ASP 68 7.444 10.718 -7.531 533 2HB ASP 68 HB1 ASP 68 8.450 10.419 -6.117 534 H GLN 69 HN GLN 69 5.827 6.651 -6.886 535 HA GLN 69 HA GLN 69 4.295 7.526 -9.189 536 1HB GLN 69 HB2 GLN 69 6.668 5.943 -9.464 537 2HB GLN 69 HB1 GLN 69 5.278 4.968 -9.915 538 1HG GLN 69 HG2 GLN 69 4.593 6.640 -11.527 539 2HG GLN 69 HG1 GLN 69 5.929 7.683 -11.040 540 1HE2 GLN 69 HE21 GLN 69 7.143 7.746 -12.825 541 2HE2 GLN 69 HE22 GLN 69 7.818 6.366 -13.614 542 H TYR 70 HN TYR 70 2.664 5.892 -9.824 543 HA TYR 70 HA TYR 70 1.481 4.754 -7.459 544 1HB TYR 70 HB2 TYR 70 0.398 5.868 -9.655 545 2HB TYR 70 HB1 TYR 70 0.316 4.173 -10.123 546 HD1 TYR 70 HD1 TYR 70 -0.097 5.663 -6.737 547 HD2 TYR 70 HD2 TYR 70 -1.962 3.675 -10.004 548 HE1 TYR 70 HE1 TYR 70 -2.142 5.395 -5.399 549 HE2 TYR 70 HE2 TYR 70 -4.013 3.404 -8.675 550 HH TYR 70 HH TYR 70 -4.572 5.068 -5.794 551 H CYS 71 HN CYS 71 2.433 2.949 -6.730 552 HA CYS 71 HA CYS 71 3.468 0.941 -8.512 553 1HB CYS 71 HB2 CYS 71 4.317 1.613 -6.141 554 2HB CYS 71 HB1 CYS 71 3.065 0.516 -5.569 555 HG CYS 71 HG CYS 71 5.737 -0.335 -6.478 556 H GLY 72 HN GLY 72 0.826 1.030 -6.103 557 1HA GLY 72 HA2 GLY 72 -0.964 -0.429 -7.708 558 2HA GLY 72 HA1 GLY 72 -0.150 -1.549 -6.628 559 H ASP 73 HN ASP 73 -2.364 -1.907 -5.865 560 HA ASP 73 HA ASP 73 -2.976 -0.064 -3.673 561 1HB ASP 73 HB2 ASP 73 -5.179 -1.253 -5.352 562 2HB ASP 73 HB1 ASP 73 -5.289 0.045 -4.168 563 H TYR 74 HN TYR 74 -5.221 -1.352 -2.697 564 HA TYR 74 HA TYR 74 -4.044 -3.553 -1.338 565 1HB TYR 74 HB2 TYR 74 -5.674 -2.169 -0.206 566 2HB TYR 74 HB1 TYR 74 -6.896 -2.547 -1.415 567 HD1 TYR 74 HD1 TYR 74 -5.413 -3.518 1.698 568 HD2 TYR 74 HD2 TYR 74 -7.701 -4.956 -1.587 569 HE1 TYR 74 HE1 TYR 74 -6.162 -5.422 3.061 570 HE2 TYR 74 HE2 TYR 74 -8.457 -6.864 -0.233 571 HH TYR 74 HH TYR 74 -7.811 -8.114 1.711 572 H GLU 75 HN GLU 75 -6.635 -3.318 -3.766 573 HA GLU 75 HA GLU 75 -7.282 -6.009 -3.932 574 1HB GLU 75 HB2 GLU 75 -8.109 -3.697 -5.136 575 2HB GLU 75 HB1 GLU 75 -7.349 -4.544 -6.472 576 1HG GLU 75 HG2 GLU 75 -9.022 -6.325 -4.964 577 2HG GLU 75 HG1 GLU 75 -9.922 -4.897 -5.470 578 H LEU 76 HN LEU 76 -4.941 -4.157 -5.875 579 HA LEU 76 HA LEU 76 -4.098 -6.206 -7.552 580 1HB LEU 76 HB2 LEU 76 -2.511 -3.888 -6.450 581 2HB LEU 76 HB1 LEU 76 -1.999 -4.900 -7.787 582 HG LEU 76 HG LEU 76 -4.419 -4.105 -8.697 583 1HD1 LEU 76 HD11 LEU 76 -3.571 -1.479 -7.785 584 2HD1 LEU 76 HD12 LEU 76 -4.112 -2.517 -6.467 585 3HD1 LEU 76 HD13 LEU 76 -5.181 -2.198 -7.833 586 1HD2 LEU 76 HD21 LEU 76 -3.243 -2.897 -10.262 587 2HD2 LEU 76 HD22 LEU 76 -1.977 -3.938 -9.612 588 3HD2 LEU 76 HD23 LEU 76 -2.103 -2.263 -9.074 589 H PHE 77 HN PHE 77 -2.231 -5.017 -4.758 590 HA PHE 77 HA PHE 77 -0.355 -6.990 -4.594 591 1HB PHE 77 HB2 PHE 77 -0.220 -5.060 -3.174 592 2HB PHE 77 HB1 PHE 77 -1.720 -5.483 -2.359 593 HD1 PHE 77 HD1 PHE 77 -1.767 -7.547 -0.915 594 HD2 PHE 77 HD2 PHE 77 1.846 -5.868 -2.413 595 HE1 PHE 77 HE1 PHE 77 -0.493 -8.768 0.799 596 HE2 PHE 77 HE2 PHE 77 3.126 -7.087 -0.702 597 HZ PHE 77 HZ PHE 77 1.956 -8.539 0.907 598 H VAL 78 HN VAL 78 -3.500 -7.019 -2.906 599 HA VAL 78 HA VAL 78 -3.185 -9.597 -1.800 600 HB VAL 78 HB VAL 78 -5.795 -8.211 -2.423 601 1HG1 VAL 78 HG11 VAL 78 -5.025 -10.616 -0.898 602 2HG1 VAL 78 HG12 VAL 78 -6.535 -10.227 -1.724 603 3HG1 VAL 78 HG13 VAL 78 -6.204 -9.553 -0.128 604 1HG2 VAL 78 HG21 VAL 78 -4.697 -8.049 0.299 605 2HG2 VAL 78 HG22 VAL 78 -5.541 -6.834 -0.661 606 3HG2 VAL 78 HG23 VAL 78 -3.821 -7.122 -0.918 607 H GLU 79 HN GLU 79 -4.465 -8.464 -4.866 608 HA GLU 79 HA GLU 79 -5.638 -10.959 -5.613 609 1HB GLU 79 HB2 GLU 79 -6.428 -8.859 -6.571 610 2HB GLU 79 HB1 GLU 79 -4.852 -8.579 -7.299 611 1HG GLU 79 HG2 GLU 79 -5.342 -9.831 -9.062 612 2HG GLU 79 HG1 GLU 79 -5.929 -11.153 -8.054 613 H ALA 80 HN ALA 80 -2.442 -10.010 -5.344 614 HA ALA 80 HA ALA 80 -1.516 -11.648 -7.577 615 1HB ALA 80 HB1 ALA 80 0.593 -10.658 -7.298 616 2HB ALA 80 HB2 ALA 80 0.229 -10.145 -5.651 617 3HB ALA 80 HB3 ALA 80 -0.560 -9.355 -7.016 618 H VAL 81 HN VAL 81 -0.800 -11.365 -4.083 619 HA VAL 81 HA VAL 81 0.705 -13.661 -3.782 620 HB VAL 81 HB VAL 81 -1.280 -12.626 -1.752 621 1HG1 VAL 81 HG11 VAL 81 0.111 -13.655 -0.101 622 2HG1 VAL 81 HG12 VAL 81 1.311 -14.099 -1.314 623 3HG1 VAL 81 HG13 VAL 81 -0.275 -14.868 -1.321 624 1HG2 VAL 81 HG21 VAL 81 0.125 -10.946 -1.172 625 2HG2 VAL 81 HG22 VAL 81 0.606 -11.079 -2.862 626 3HG2 VAL 81 HG23 VAL 81 1.570 -11.856 -1.607 627 H GLU 82 HN GLU 82 -2.746 -13.323 -4.075 628 HA GLU 82 HA GLU 82 -3.617 -15.779 -3.101 629 1HB GLU 82 HB2 GLU 82 -5.497 -15.434 -4.846 630 2HB GLU 82 HB1 GLU 82 -5.311 -14.255 -3.555 631 1HG GLU 82 HG2 GLU 82 -5.005 -12.622 -5.008 632 2HG GLU 82 HG1 GLU 82 -3.698 -13.498 -5.802 633 H GLN 83 HN GLN 83 -2.642 -14.924 -6.418 634 HA GLN 83 HA GLN 83 -2.740 -17.761 -7.145 635 1HB GLN 83 HB2 GLN 83 -3.605 -15.540 -8.495 636 2HB GLN 83 HB1 GLN 83 -2.031 -15.810 -9.227 637 1HG GLN 83 HG2 GLN 83 -3.059 -18.323 -9.234 638 2HG GLN 83 HG1 GLN 83 -4.510 -17.348 -9.459 639 1HE2 GLN 83 HE21 GLN 83 -3.905 -18.949 -11.462 640 2HE2 GLN 83 HE22 GLN 83 -3.231 -18.085 -12.798 641 H ASN 84 HN ASN 84 -0.598 -15.930 -5.698 642 HA ASN 84 HA ASN 84 1.627 -16.143 -5.351 643 1HB ASN 84 HB2 ASN 84 1.075 -18.553 -6.456 644 2HB ASN 84 HB1 ASN 84 2.164 -17.898 -7.675 645 1HD2 ASN 84 HD21 ASN 84 2.964 -20.087 -6.400 646 2HD2 ASN 84 HD22 ASN 84 4.218 -19.732 -5.266 647 H THR 85 HN THR 85 0.210 -14.423 -7.380 648 HA THR 85 HA THR 85 2.222 -13.894 -9.370 649 HB THR 85 HB THR 85 0.020 -11.960 -8.867 650 HG1 THR 85 HG1 THR 85 -1.525 -13.328 -9.227 651 1HG2 THR 85 HG21 THR 85 1.449 -11.659 -10.806 652 2HG2 THR 85 HG22 THR 85 -0.207 -12.028 -11.289 653 3HG2 THR 85 HG23 THR 85 1.036 -13.277 -11.374 654 H LEU 86 HN LEU 86 1.521 -12.905 -6.179 655 HA LEU 86 HA LEU 86 2.160 -10.379 -5.752 656 1HB LEU 86 HB2 LEU 86 1.925 -12.010 -3.962 657 2HB LEU 86 HB1 LEU 86 3.489 -12.697 -4.357 658 HG LEU 86 HG LEU 86 4.475 -10.419 -3.815 659 1HD1 LEU 86 HD11 LEU 86 3.212 -8.733 -3.085 660 2HD1 LEU 86 HD12 LEU 86 2.276 -9.781 -2.020 661 3HD1 LEU 86 HD13 LEU 86 1.841 -9.640 -3.724 662 1HD2 LEU 86 HD21 LEU 86 3.834 -10.923 -1.229 663 2HD2 LEU 86 HD22 LEU 86 5.054 -11.808 -2.146 664 3HD2 LEU 86 HD23 LEU 86 3.424 -12.462 -1.988 665 H GLN 87 HN GLN 87 4.571 -12.775 -6.764 666 HA GLN 87 HA GLN 87 6.861 -11.212 -6.507 667 1HB GLN 87 HB2 GLN 87 7.149 -13.516 -6.998 668 2HB GLN 87 HB1 GLN 87 6.157 -13.410 -8.446 669 1HG GLN 87 HG2 GLN 87 7.837 -12.194 -9.608 670 2HG GLN 87 HG1 GLN 87 8.788 -11.987 -8.139 671 1HE2 GLN 87 HE21 GLN 87 10.571 -13.138 -8.308 672 2HE2 GLN 87 HE22 GLN 87 10.685 -14.763 -8.883 673 H GLU 88 HN GLU 88 4.854 -11.673 -9.420 674 HA GLU 88 HA GLU 88 6.102 -9.969 -11.157 675 1HB GLU 88 HB2 GLU 88 3.881 -11.423 -11.325 676 2HB GLU 88 HB1 GLU 88 3.126 -9.856 -11.069 677 1HG GLU 88 HG2 GLU 88 3.623 -9.139 -13.127 678 2HG GLU 88 HG1 GLU 88 5.232 -9.858 -13.099 679 H PHE 89 HN PHE 89 4.271 -9.141 -8.339 680 HA PHE 89 HA PHE 89 4.221 -6.313 -9.087 681 1HB PHE 89 HB2 PHE 89 2.133 -7.353 -8.237 682 2HB PHE 89 HB1 PHE 89 2.950 -7.704 -6.719 683 HD1 PHE 89 HD1 PHE 89 1.037 -5.338 -8.544 684 HD2 PHE 89 HD2 PHE 89 3.883 -5.712 -5.404 685 HE1 PHE 89 HE1 PHE 89 0.378 -3.128 -7.689 686 HE2 PHE 89 HE2 PHE 89 3.230 -3.503 -4.543 687 HZ PHE 89 HZ PHE 89 1.475 -2.207 -5.685 688 H LEU 90 HN LEU 90 5.831 -8.564 -7.007 689 HA LEU 90 HA LEU 90 7.007 -6.397 -5.428 690 1HB LEU 90 HB2 LEU 90 6.627 -9.309 -5.033 691 2HB LEU 90 HB1 LEU 90 8.060 -8.595 -4.318 692 HG LEU 90 HG LEU 90 5.244 -7.637 -3.803 693 1HD1 LEU 90 HD11 LEU 90 6.224 -9.997 -2.943 694 2HD1 LEU 90 HD12 LEU 90 5.072 -9.017 -2.036 695 3HD1 LEU 90 HD13 LEU 90 6.793 -8.928 -1.661 696 1HD2 LEU 90 HD21 LEU 90 7.437 -7.020 -1.945 697 2HD2 LEU 90 HD22 LEU 90 6.106 -6.010 -2.511 698 3HD2 LEU 90 HD23 LEU 90 7.537 -6.229 -3.518 699 H LYS 91 HN LYS 91 8.286 -9.445 -6.797 700 HA LYS 91 HA LYS 91 10.844 -8.096 -7.226 701 1HB LYS 91 HB2 LYS 91 10.458 -11.007 -7.764 702 2HB LYS 91 HB1 LYS 91 11.871 -10.161 -7.150 703 1HG LYS 91 HG2 LYS 91 10.013 -9.762 -5.167 704 2HG LYS 91 HG1 LYS 91 9.661 -11.400 -5.720 705 1HD LYS 91 HD2 LYS 91 11.283 -11.916 -4.219 706 2HD LYS 91 HD1 LYS 91 12.330 -11.555 -5.594 707 1HE LYS 91 HE2 LYS 91 11.977 -9.083 -4.505 708 2HE LYS 91 HE1 LYS 91 11.957 -10.108 -3.070 709 1HZ LYS 91 HZ1 LYS 91 14.139 -9.504 -4.887 710 2HZ LYS 91 HZ2 LYS 91 14.054 -11.108 -4.360 711 3HZ LYS 91 HZ3 LYS 91 14.172 -9.854 -3.232 712 H LEU 92 HN LEU 92 8.119 -8.598 -9.002 713 HA LEU 92 HA LEU 92 7.617 -8.699 -11.224 714 1HB LEU 92 HB2 LEU 92 10.281 -7.418 -11.736 715 2HB LEU 92 HB1 LEU 92 8.771 -7.181 -12.592 716 HG LEU 92 HG LEU 92 9.062 -5.202 -11.388 717 1HD1 LEU 92 HD11 LEU 92 6.820 -5.917 -11.095 718 2HD1 LEU 92 HD12 LEU 92 7.368 -5.297 -9.538 719 3HD1 LEU 92 HD13 LEU 92 7.273 -7.037 -9.811 720 1HD2 LEU 92 HD21 LEU 92 10.084 -4.955 -9.370 721 2HD2 LEU 92 HD22 LEU 92 10.833 -6.467 -9.885 722 3HD2 LEU 92 HD23 LEU 92 9.482 -6.494 -8.753 723 H ALA 93 HN ALA 93 9.236 -10.932 -10.089 724 HA ALA 93 HA ALA 93 10.242 -12.848 -10.794 725 1HB ALA 93 HB1 ALA 93 9.934 -13.245 -13.378 726 2HB ALA 93 HB2 ALA 93 8.820 -11.886 -13.226 727 3HB ALA 93 HB3 ALA 93 8.565 -13.347 -12.271 728 H LEU 94 HN LEU 94 11.878 -10.532 -10.579 729 HA LEU 94 HA LEU 94 13.992 -9.834 -11.040 730 1HB LEU 94 HB2 LEU 94 14.179 -12.469 -11.055 731 2HB LEU 94 HB1 LEU 94 14.491 -12.217 -12.762 732 HG LEU 94 HG LEU 94 16.079 -10.586 -10.859 733 1HD1 LEU 94 HD11 LEU 94 16.615 -13.517 -11.314 734 2HD1 LEU 94 HD12 LEU 94 16.082 -12.793 -9.797 735 3HD1 LEU 94 HD13 LEU 94 17.663 -12.383 -10.462 736 1HD2 LEU 94 HD21 LEU 94 16.311 -11.725 -13.580 737 2HD2 LEU 94 HD22 LEU 94 17.801 -11.560 -12.651 738 3HD2 LEU 94 HD23 LEU 94 16.796 -10.145 -12.963 739 H GLU 95 HN GLU 95 11.779 -9.178 -12.848 740 HA GLU 95 HA GLU 95 13.210 -8.866 -15.395 741 1HB GLU 95 HB2 GLU 95 11.019 -9.943 -15.561 742 2HB GLU 95 HB1 GLU 95 10.268 -8.566 -14.765 743 1HG GLU 95 HG2 GLU 95 9.859 -7.818 -16.816 744 2HG GLU 95 HG1 GLU 95 11.568 -7.388 -16.861 Start of MODEL 5 1 1H MET 1 HT1 MET 1 18.946 -1.333 -5.888 2 2H MET 1 HT2 MET 1 20.365 -1.313 -4.923 3 3H MET 1 HT3 MET 1 19.827 0.124 -5.692 4 HA MET 1 HA MET 1 18.639 -1.318 -3.433 5 1HB MET 1 HB2 MET 1 19.986 1.286 -3.954 6 2HB MET 1 HB1 MET 1 18.698 1.267 -2.757 7 1HG MET 1 HG2 MET 1 20.104 -0.862 -1.938 8 2HG MET 1 HG1 MET 1 21.397 0.092 -2.662 9 1HE MET 1 HE1 MET 1 19.306 -0.269 0.752 10 2HE MET 1 HE2 MET 1 20.839 0.273 1.433 11 3HE MET 1 HE3 MET 1 20.818 -0.993 0.205 12 H SER 2 HN SER 2 16.500 -1.233 -3.131 13 HA SER 2 HA SER 2 14.930 0.607 -4.814 14 1HB SER 2 HB2 SER 2 14.794 -1.832 -5.486 15 2HB SER 2 HB1 SER 2 14.011 -2.135 -3.935 16 HG SER 2 HG SER 2 12.951 -1.161 -6.204 17 H GLY 3 HN GLY 3 12.524 0.581 -3.868 18 1HA GLY 3 HA2 GLY 3 12.419 0.487 -0.982 19 2HA GLY 3 HA1 GLY 3 12.418 2.116 -1.641 20 H LEU 4 HN LEU 4 10.345 0.665 -0.135 21 HA LEU 4 HA LEU 4 8.175 0.925 -2.109 22 1HB LEU 4 HB2 LEU 4 8.492 -1.134 0.068 23 2HB LEU 4 HB1 LEU 4 6.957 -0.811 -0.715 24 HG LEU 4 HG LEU 4 9.254 -1.434 -2.486 25 1HD1 LEU 4 HD11 LEU 4 8.203 -3.273 -0.426 26 2HD1 LEU 4 HD12 LEU 4 9.779 -3.230 -1.216 27 3HD1 LEU 4 HD13 LEU 4 8.393 -3.928 -2.053 28 1HD2 LEU 4 HD21 LEU 4 6.626 -2.757 -2.708 29 2HD2 LEU 4 HD22 LEU 4 7.640 -2.024 -3.951 30 3HD2 LEU 4 HD23 LEU 4 6.638 -1.006 -2.917 31 H ARG 5 HN ARG 5 6.212 1.783 -1.344 32 HA ARG 5 HA ARG 5 6.210 2.851 1.385 33 1HB ARG 5 HB2 ARG 5 5.241 4.650 -0.787 34 2HB ARG 5 HB1 ARG 5 5.911 5.054 0.786 35 1HG ARG 5 HG2 ARG 5 8.119 4.102 -0.219 36 2HG ARG 5 HG1 ARG 5 7.316 4.406 -1.761 37 1HD ARG 5 HD2 ARG 5 7.483 6.514 0.369 38 2HD ARG 5 HD1 ARG 5 8.796 6.261 -0.781 39 HE ARG 5 HE ARG 5 6.311 6.536 -2.122 40 1HH1 ARG 5 HH11 ARG 5 8.774 8.379 -0.474 41 2HH1 ARG 5 HH12 ARG 5 8.443 9.837 -1.348 42 1HH2 ARG 5 HH21 ARG 5 5.876 8.452 -3.273 43 2HH2 ARG 5 HH22 ARG 5 6.798 9.879 -2.936 44 H VAL 6 HN VAL 6 4.388 2.265 2.344 45 HA VAL 6 HA VAL 6 2.017 1.751 0.680 46 HB VAL 6 HB VAL 6 2.527 0.774 3.491 47 1HG1 VAL 6 HG11 VAL 6 0.472 -0.018 1.430 48 2HG1 VAL 6 HG12 VAL 6 0.171 0.904 2.903 49 3HG1 VAL 6 HG13 VAL 6 0.690 -0.778 3.006 50 1HG2 VAL 6 HG21 VAL 6 3.160 -1.338 2.580 51 2HG2 VAL 6 HG22 VAL 6 4.150 -0.106 1.796 52 3HG2 VAL 6 HG23 VAL 6 2.777 -0.811 0.941 53 H TYR 7 HN TYR 7 0.417 3.171 0.775 54 HA TYR 7 HA TYR 7 0.409 5.265 2.752 55 1HB TYR 7 HB2 TYR 7 -1.117 4.653 0.269 56 2HB TYR 7 HB1 TYR 7 -1.876 5.716 1.447 57 HD1 TYR 7 HD1 TYR 7 -0.876 7.901 1.969 58 HD2 TYR 7 HD2 TYR 7 0.779 5.372 -1.025 59 HE1 TYR 7 HE1 TYR 7 0.406 9.802 1.081 60 HE2 TYR 7 HE2 TYR 7 2.067 7.266 -1.920 61 HH TYR 7 HH TYR 7 2.758 9.915 -0.377 62 H SER 8 HN SER 8 -1.074 5.621 4.360 63 HA SER 8 HA SER 8 -3.351 3.906 4.723 64 1HB SER 8 HB2 SER 8 -1.739 2.372 5.610 65 2HB SER 8 HB1 SER 8 -0.952 3.645 6.543 66 HG SER 8 HG SER 8 -3.520 2.521 6.955 67 H THR 9 HN THR 9 -4.295 4.359 7.041 68 HA THR 9 HA THR 9 -3.929 7.220 7.638 69 HB THR 9 HB THR 9 -5.995 7.012 6.422 70 HG1 THR 9 HG1 THR 9 -6.633 7.143 9.179 71 1HG2 THR 9 HG21 THR 9 -7.625 5.479 8.156 72 2HG2 THR 9 HG22 THR 9 -6.229 4.501 7.702 73 3HG2 THR 9 HG23 THR 9 -7.258 5.205 6.454 74 H SER 10 HN SER 10 -3.277 7.536 9.651 75 HA SER 10 HA SER 10 -3.028 5.548 11.585 76 1HB SER 10 HB2 SER 10 -3.327 8.435 12.358 77 2HB SER 10 HB1 SER 10 -2.240 7.215 13.021 78 HG SER 10 HG SER 10 -1.249 7.268 10.837 79 H VAL 11 HN VAL 11 -5.272 8.321 11.752 80 HA VAL 11 HA VAL 11 -6.890 6.971 13.718 81 HB VAL 11 HB VAL 11 -6.576 9.393 13.857 82 1HG1 VAL 11 HG11 VAL 11 -8.401 10.037 11.655 83 2HG1 VAL 11 HG12 VAL 11 -6.829 9.416 11.151 84 3HG1 VAL 11 HG13 VAL 11 -6.924 10.844 12.182 85 1HG2 VAL 11 HG21 VAL 11 -8.983 10.043 14.061 86 2HG2 VAL 11 HG22 VAL 11 -8.558 8.540 14.880 87 3HG2 VAL 11 HG23 VAL 11 -9.403 8.492 13.333 88 H THR 12 HN THR 12 -8.046 5.288 12.980 89 HA THR 12 HA THR 12 -9.381 5.446 10.396 90 HB THR 12 HB THR 12 -10.104 3.043 11.181 91 HG1 THR 12 HG1 THR 12 -9.379 3.189 13.295 92 1HG2 THR 12 HG21 THR 12 -8.656 2.484 9.615 93 2HG2 THR 12 HG22 THR 12 -7.351 2.627 10.793 94 3HG2 THR 12 HG23 THR 12 -7.809 4.019 9.812 95 H GLY 13 HN GLY 13 -11.659 4.832 10.198 96 1HA GLY 13 HA2 GLY 13 -13.246 5.454 12.602 97 2HA GLY 13 HA1 GLY 13 -13.565 6.293 11.091 98 H SER 14 HN SER 14 -13.311 4.193 9.286 99 HA SER 14 HA SER 14 -15.850 2.915 9.633 100 1HB SER 14 HB2 SER 14 -14.398 3.651 7.448 101 2HB SER 14 HB1 SER 14 -14.085 1.916 7.488 102 HG SER 14 HG SER 14 -15.935 1.970 6.415 103 H ARG 15 HN ARG 15 -15.509 0.413 8.537 104 HA ARG 15 HA ARG 15 -14.029 -0.966 10.650 105 1HB ARG 15 HB2 ARG 15 -16.546 -1.256 10.511 106 2HB ARG 15 HB1 ARG 15 -16.255 -2.128 9.012 107 1HG ARG 15 HG2 ARG 15 -14.560 -3.225 11.005 108 2HG ARG 15 HG1 ARG 15 -16.188 -3.102 11.673 109 1HD ARG 15 HD2 ARG 15 -15.923 -5.245 10.608 110 2HD ARG 15 HD1 ARG 15 -17.056 -4.270 9.677 111 HE ARG 15 HE ARG 15 -14.320 -4.981 8.901 112 1HH1 ARG 15 HH11 ARG 15 -17.379 -3.486 8.094 113 2HH1 ARG 15 HH12 ARG 15 -17.027 -3.404 6.403 114 1HH2 ARG 15 HH21 ARG 15 -13.867 -4.866 6.678 115 2HH2 ARG 15 HH22 ARG 15 -15.038 -4.184 5.599 116 H GLU 16 HN GLU 16 -14.118 -0.379 7.422 117 HA GLU 16 HA GLU 16 -12.589 -2.770 6.700 118 1HB GLU 16 HB2 GLU 16 -12.903 -1.969 4.352 119 2HB GLU 16 HB1 GLU 16 -14.405 -2.328 5.193 120 1HG GLU 16 HG2 GLU 16 -13.546 0.453 5.435 121 2HG GLU 16 HG1 GLU 16 -13.887 -0.058 3.782 122 H ILE 17 HN ILE 17 -12.363 0.690 7.026 123 HA ILE 17 HA ILE 17 -9.979 1.167 5.646 124 HB ILE 17 HB ILE 17 -10.998 2.572 8.120 125 1HG1 ILE 17 HG12 ILE 17 -12.631 2.513 6.261 126 2HG1 ILE 17 HG11 ILE 17 -12.049 4.142 6.586 127 1HG2 ILE 17 HG21 ILE 17 -9.080 3.533 5.999 128 2HG2 ILE 17 HG22 ILE 17 -8.638 3.042 7.634 129 3HG2 ILE 17 HG23 ILE 17 -9.655 4.461 7.384 130 1HD1 ILE 17 HD11 ILE 17 -12.046 2.727 4.147 131 2HD1 ILE 17 HD12 ILE 17 -10.366 2.966 4.626 132 3HD1 ILE 17 HD13 ILE 17 -11.445 4.352 4.475 133 H LYS 18 HN LYS 18 -10.581 -0.190 8.806 134 HA LYS 18 HA LYS 18 -7.827 0.023 9.652 135 1HB LYS 18 HB2 LYS 18 -9.993 -1.648 10.923 136 2HB LYS 18 HB1 LYS 18 -8.526 -1.035 11.674 137 1HG LYS 18 HG2 LYS 18 -9.356 1.113 11.853 138 2HG LYS 18 HG1 LYS 18 -10.550 0.867 10.577 139 1HD LYS 18 HD2 LYS 18 -11.988 0.652 12.298 140 2HD LYS 18 HD1 LYS 18 -11.344 -0.989 12.385 141 1HE LYS 18 HE2 LYS 18 -9.680 -0.218 14.032 142 2HE LYS 18 HE1 LYS 18 -10.397 1.392 13.976 143 1HZ LYS 18 HZ1 LYS 18 -11.974 -1.008 14.690 144 2HZ LYS 18 HZ2 LYS 18 -12.364 0.616 14.953 145 3HZ LYS 18 HZ3 LYS 18 -11.128 -0.111 15.849 146 H SER 19 HN SER 19 -10.032 -2.630 8.772 147 HA SER 19 HA SER 19 -8.170 -4.709 8.981 148 1HB SER 19 HB2 SER 19 -10.429 -4.677 6.982 149 2HB SER 19 HB1 SER 19 -9.745 -6.061 7.835 150 HG SER 19 HG SER 19 -11.544 -4.124 8.725 151 H GLN 20 HN GLN 20 -8.776 -2.401 6.433 152 HA GLN 20 HA GLN 20 -7.442 -3.728 4.337 153 1HB GLN 20 HB2 GLN 20 -8.480 -1.038 4.856 154 2HB GLN 20 HB1 GLN 20 -7.070 -1.050 3.806 155 1HG GLN 20 HG2 GLN 20 -9.207 -1.132 2.583 156 2HG GLN 20 HG1 GLN 20 -8.162 -2.513 2.255 157 1HE2 GLN 20 HE21 GLN 20 -11.219 -1.827 2.445 158 2HE2 GLN 20 HE22 GLN 20 -11.859 -3.234 3.216 159 H GLN 21 HN GLN 21 -6.285 -1.073 6.425 160 HA GLN 21 HA GLN 21 -3.598 -1.284 5.518 161 1HB GLN 21 HB2 GLN 21 -3.088 0.234 7.417 162 2HB GLN 21 HB1 GLN 21 -4.397 0.815 6.398 163 1HG GLN 21 HG2 GLN 21 -5.930 0.645 8.035 164 2HG GLN 21 HG1 GLN 21 -5.208 -0.814 8.710 165 1HE2 GLN 21 HE21 GLN 21 -5.758 2.410 9.204 166 2HE2 GLN 21 HE22 GLN 21 -4.576 2.711 10.428 167 H SER 22 HN SER 22 -5.413 -2.716 8.138 168 HA SER 22 HA SER 22 -3.155 -3.679 9.591 169 1HB SER 22 HB2 SER 22 -5.213 -3.420 10.787 170 2HB SER 22 HB1 SER 22 -6.081 -4.434 9.635 171 HG SER 22 HG SER 22 -3.915 -5.395 11.182 172 H GLU 23 HN GLU 23 -5.028 -4.857 6.905 173 HA GLU 23 HA GLU 23 -4.085 -7.564 7.087 174 1HB GLU 23 HB2 GLU 23 -6.249 -7.066 6.067 175 2HB GLU 23 HB1 GLU 23 -5.461 -6.094 4.833 176 1HG GLU 23 HG2 GLU 23 -6.128 -8.335 4.049 177 2HG GLU 23 HG1 GLU 23 -4.399 -8.026 3.900 178 H VAL 24 HN VAL 24 -3.277 -4.711 5.161 179 HA VAL 24 HA VAL 24 -1.361 -6.007 3.515 180 HB VAL 24 HB VAL 24 -1.488 -3.067 4.189 181 1HG1 VAL 24 HG11 VAL 24 -0.340 -2.720 2.116 182 2HG1 VAL 24 HG12 VAL 24 -0.441 -4.434 1.716 183 3HG1 VAL 24 HG13 VAL 24 0.571 -3.900 3.058 184 1HG2 VAL 24 HG21 VAL 24 -3.243 -2.776 2.814 185 2HG2 VAL 24 HG22 VAL 24 -3.550 -4.484 3.125 186 3HG2 VAL 24 HG23 VAL 24 -2.679 -3.995 1.672 187 H THR 25 HN THR 25 -1.235 -4.590 6.691 188 HA THR 25 HA THR 25 1.616 -4.329 6.782 189 HB THR 25 HB THR 25 1.253 -3.972 9.221 190 HG1 THR 25 HG1 THR 25 -1.500 -4.238 8.623 191 1HG2 THR 25 HG21 THR 25 -0.566 -2.075 8.844 192 2HG2 THR 25 HG22 THR 25 -0.157 -2.397 7.159 193 3HG2 THR 25 HG23 THR 25 1.103 -1.919 8.297 194 H ARG 26 HN ARG 26 -0.710 -6.655 8.139 195 HA ARG 26 HA ARG 26 1.115 -8.287 9.469 196 1HB ARG 26 HB2 ARG 26 -0.615 -10.073 9.233 197 2HB ARG 26 HB1 ARG 26 -1.234 -8.555 9.868 198 1HG ARG 26 HG2 ARG 26 -2.155 -7.992 7.698 199 2HG ARG 26 HG1 ARG 26 -1.478 -9.469 7.010 200 1HD ARG 26 HD2 ARG 26 -3.353 -9.557 9.349 201 2HD ARG 26 HD1 ARG 26 -3.958 -9.457 7.697 202 HE ARG 26 HE ARG 26 -3.237 -11.624 7.312 203 1HH1 ARG 26 HH11 ARG 26 -2.178 -10.544 10.462 204 2HH1 ARG 26 HH12 ARG 26 -1.736 -12.132 10.991 205 1HH2 ARG 26 HH21 ARG 26 -2.652 -13.707 8.011 206 2HH2 ARG 26 HH22 ARG 26 -2.002 -13.925 9.602 207 H ILE 27 HN ILE 27 0.034 -8.359 6.102 208 HA ILE 27 HA ILE 27 1.350 -10.753 5.385 209 HB ILE 27 HB ILE 27 0.686 -8.421 3.584 210 1HG1 ILE 27 HG12 ILE 27 -1.023 -10.864 3.884 211 2HG1 ILE 27 HG11 ILE 27 -1.173 -9.555 5.052 212 1HG2 ILE 27 HG21 ILE 27 2.103 -9.826 2.373 213 2HG2 ILE 27 HG22 ILE 27 0.486 -10.348 1.903 214 3HG2 ILE 27 HG23 ILE 27 1.409 -11.286 3.077 215 1HD1 ILE 27 HD11 ILE 27 -1.515 -8.029 3.049 216 2HD1 ILE 27 HD12 ILE 27 -2.820 -9.146 3.449 217 3HD1 ILE 27 HD13 ILE 27 -1.730 -9.505 2.110 218 H LEU 28 HN LEU 28 2.261 -7.380 4.638 219 HA LEU 28 HA LEU 28 4.807 -7.964 3.643 220 1HB LEU 28 HB2 LEU 28 3.779 -5.463 4.981 221 2HB LEU 28 HB1 LEU 28 5.310 -5.571 4.135 222 HG LEU 28 HG LEU 28 2.614 -6.028 2.859 223 1HD1 LEU 28 HD11 LEU 28 4.423 -3.655 2.499 224 2HD1 LEU 28 HD12 LEU 28 3.089 -3.679 3.652 225 3HD1 LEU 28 HD13 LEU 28 2.768 -3.864 1.928 226 1HD2 LEU 28 HD21 LEU 28 4.413 -7.246 1.763 227 2HD2 LEU 28 HD22 LEU 28 5.374 -5.769 1.671 228 3HD2 LEU 28 HD23 LEU 28 3.870 -5.901 0.760 229 H ASP 29 HN ASP 29 3.770 -7.075 6.912 230 HA ASP 29 HA ASP 29 6.291 -6.965 8.112 231 1HB ASP 29 HB2 ASP 29 4.105 -6.211 9.124 232 2HB ASP 29 HB1 ASP 29 3.749 -7.905 9.453 233 H GLY 30 HN GLY 30 3.991 -9.681 7.913 234 1HA GLY 30 HA2 GLY 30 5.552 -11.578 9.251 235 2HA GLY 30 HA1 GLY 30 4.320 -11.949 8.052 236 H LYS 31 HN LYS 31 5.711 -10.400 5.971 237 HA LYS 31 HA LYS 31 7.389 -12.503 4.997 238 1HB LYS 31 HB2 LYS 31 6.390 -9.900 3.956 239 2HB LYS 31 HB1 LYS 31 7.821 -10.586 3.200 240 1HG LYS 31 HG2 LYS 31 6.630 -12.577 2.606 241 2HG LYS 31 HG1 LYS 31 5.216 -12.057 3.524 242 1HD LYS 31 HD2 LYS 31 5.148 -10.033 1.992 243 2HD LYS 31 HD1 LYS 31 6.324 -10.881 0.986 244 1HE LYS 31 HE2 LYS 31 3.905 -11.144 0.315 245 2HE LYS 31 HE1 LYS 31 4.811 -12.640 0.533 246 1HZ LYS 31 HZ1 LYS 31 2.435 -12.243 1.603 247 2HZ LYS 31 HZ2 LYS 31 3.381 -11.618 2.858 248 3HZ LYS 31 HZ3 LYS 31 3.608 -13.213 2.342 249 H ARG 32 HN ARG 32 7.934 -9.865 7.023 250 HA ARG 32 HA ARG 32 9.827 -9.060 7.996 251 1HB ARG 32 HB2 ARG 32 11.438 -10.965 6.305 252 2HB ARG 32 HB1 ARG 32 11.873 -10.258 7.854 253 1HG ARG 32 HG2 ARG 32 9.726 -12.311 7.369 254 2HG ARG 32 HG1 ARG 32 11.297 -12.588 8.123 255 1HD ARG 32 HD2 ARG 32 10.176 -10.487 9.566 256 2HD ARG 32 HD1 ARG 32 8.837 -11.598 9.281 257 HE ARG 32 HE ARG 32 11.222 -12.895 10.217 258 1HH1 ARG 32 HH11 ARG 32 8.325 -11.206 11.185 259 2HH1 ARG 32 HH12 ARG 32 8.287 -11.919 12.762 260 1HH2 ARG 32 HH21 ARG 32 11.173 -13.833 12.292 261 2HH2 ARG 32 HH22 ARG 32 9.904 -13.410 13.391 262 H ILE 33 HN ILE 33 8.739 -7.749 5.813 263 HA ILE 33 HA ILE 33 10.914 -6.984 4.055 264 HB ILE 33 HB ILE 33 8.124 -5.841 4.174 265 1HG1 ILE 33 HG12 ILE 33 9.222 -8.100 2.486 266 2HG1 ILE 33 HG11 ILE 33 8.021 -8.249 3.766 267 1HG2 ILE 33 HG21 ILE 33 10.334 -5.697 2.138 268 2HG2 ILE 33 HG22 ILE 33 9.557 -4.367 2.998 269 3HG2 ILE 33 HG23 ILE 33 8.661 -5.272 1.777 270 1HD1 ILE 33 HD11 ILE 33 6.355 -7.648 2.417 271 2HD1 ILE 33 HD12 ILE 33 7.487 -7.984 1.107 272 3HD1 ILE 33 HD13 ILE 33 7.286 -6.334 1.697 273 H GLN 34 HN GLN 34 11.482 -4.746 3.751 274 HA GLN 34 HA GLN 34 11.380 -3.224 6.271 275 1HB GLN 34 HB2 GLN 34 13.528 -3.625 4.236 276 2HB GLN 34 HB1 GLN 34 13.474 -2.098 5.105 277 1HG GLN 34 HG2 GLN 34 14.984 -3.646 6.185 278 2HG GLN 34 HG1 GLN 34 13.606 -3.295 7.227 279 1HE2 GLN 34 HE21 GLN 34 12.242 -4.913 7.810 280 2HE2 GLN 34 HE22 GLN 34 12.489 -6.573 7.401 281 H TYR 35 HN TYR 35 9.217 -2.870 4.781 282 HA TYR 35 HA TYR 35 9.619 -0.574 3.029 283 1HB TYR 35 HB2 TYR 35 7.406 -0.913 2.264 284 2HB TYR 35 HB1 TYR 35 8.081 -2.526 2.457 285 HD1 TYR 35 HD1 TYR 35 5.409 -0.329 3.324 286 HD2 TYR 35 HD2 TYR 35 7.514 -3.790 4.624 287 HE1 TYR 35 HE1 TYR 35 3.514 -0.932 4.770 288 HE2 TYR 35 HE2 TYR 35 5.625 -4.402 6.073 289 HH TYR 35 HH TYR 35 3.728 -3.375 7.158 290 H GLN 36 HN GLN 36 8.365 1.372 3.284 291 HA GLN 36 HA GLN 36 8.035 2.081 6.105 292 1HB GLN 36 HB2 GLN 36 7.902 4.440 5.144 293 2HB GLN 36 HB1 GLN 36 9.451 3.618 5.008 294 1HG GLN 36 HG2 GLN 36 7.694 3.202 2.715 295 2HG GLN 36 HG1 GLN 36 8.139 4.887 2.981 296 1HE2 GLN 36 HE21 GLN 36 10.007 5.546 2.185 297 2HE2 GLN 36 HE22 GLN 36 11.303 4.528 1.666 298 H LEU 37 HN LEU 37 6.251 3.985 6.263 299 HA LEU 37 HA LEU 37 3.833 3.049 4.889 300 1HB LEU 37 HB2 LEU 37 4.060 2.181 7.258 301 2HB LEU 37 HB1 LEU 37 3.897 3.841 7.794 302 HG LEU 37 HG LEU 37 1.810 2.488 6.098 303 1HD1 LEU 37 HD11 LEU 37 1.644 1.121 7.917 304 2HD1 LEU 37 HD12 LEU 37 0.638 2.463 8.460 305 3HD1 LEU 37 HD13 LEU 37 2.303 2.325 9.023 306 1HD2 LEU 37 HD21 LEU 37 2.135 5.097 7.412 307 2HD2 LEU 37 HD22 LEU 37 0.560 4.335 7.629 308 3HD2 LEU 37 HD23 LEU 37 1.174 4.644 6.005 309 H VAL 38 HN VAL 38 3.620 4.755 3.548 310 HA VAL 38 HA VAL 38 3.989 7.456 4.477 311 HB VAL 38 HB VAL 38 2.945 7.995 2.161 312 1HG1 VAL 38 HG11 VAL 38 5.261 8.351 2.586 313 2HG1 VAL 38 HG12 VAL 38 5.133 7.489 1.053 314 3HG1 VAL 38 HG13 VAL 38 5.601 6.622 2.516 315 1HG2 VAL 38 HG21 VAL 38 2.061 5.642 1.901 316 2HG2 VAL 38 HG22 VAL 38 3.727 5.140 1.619 317 3HG2 VAL 38 HG23 VAL 38 2.954 6.285 0.525 318 H ASP 39 HN ASP 39 2.460 7.372 6.203 319 HA ASP 39 HA ASP 39 -0.345 7.095 5.622 320 1HB ASP 39 HB2 ASP 39 -0.580 7.934 8.024 321 2HB ASP 39 HB1 ASP 39 0.278 6.413 7.798 322 H ILE 40 HN ILE 40 -1.733 8.616 5.033 323 HA ILE 40 HA ILE 40 -0.774 11.334 4.678 324 HB ILE 40 HB ILE 40 -2.913 11.692 3.476 325 1HG1 ILE 40 HG12 ILE 40 -3.342 8.730 3.921 326 2HG1 ILE 40 HG11 ILE 40 -4.216 9.997 4.776 327 1HG2 ILE 40 HG21 ILE 40 -1.423 11.168 1.879 328 2HG2 ILE 40 HG22 ILE 40 -2.329 9.658 1.784 329 3HG2 ILE 40 HG23 ILE 40 -0.849 9.740 2.739 330 1HD1 ILE 40 HD11 ILE 40 -5.634 10.269 3.093 331 2HD1 ILE 40 HD12 ILE 40 -4.969 8.779 2.424 332 3HD1 ILE 40 HD13 ILE 40 -4.334 10.340 1.904 333 H SER 41 HN SER 41 -2.764 9.567 6.858 334 HA SER 41 HA SER 41 -4.486 11.616 7.730 335 1HB SER 41 HB2 SER 41 -4.469 9.034 8.236 336 2HB SER 41 HB1 SER 41 -3.497 9.517 9.626 337 HG SER 41 HG SER 41 -6.166 9.770 9.214 338 H GLN 42 HN GLN 42 -1.139 11.019 8.293 339 HA GLN 42 HA GLN 42 -0.734 12.253 10.755 340 1HB GLN 42 HB2 GLN 42 0.964 10.964 9.449 341 2HB GLN 42 HB1 GLN 42 1.124 12.345 8.374 342 1HG GLN 42 HG2 GLN 42 1.538 12.666 11.315 343 2HG GLN 42 HG1 GLN 42 2.820 12.016 10.294 344 1HE2 GLN 42 HE21 GLN 42 3.404 13.344 8.393 345 2HE2 GLN 42 HE22 GLN 42 3.393 15.062 8.571 346 H ASP 43 HN ASP 43 -0.098 13.745 7.579 347 HA ASP 43 HA ASP 43 -0.802 16.346 8.774 348 1HB ASP 43 HB2 ASP 43 1.616 15.678 7.739 349 2HB ASP 43 HB1 ASP 43 0.827 16.335 6.308 350 H ASN 44 HN ASN 44 -1.136 17.946 6.699 351 HA ASN 44 HA ASN 44 -3.444 16.785 5.318 352 1HB ASN 44 HB2 ASN 44 -4.141 19.101 4.913 353 2HB ASN 44 HB1 ASN 44 -3.857 18.818 6.628 354 1HD2 ASN 44 HD21 ASN 44 -2.381 20.111 3.701 355 2HD2 ASN 44 HD22 ASN 44 -1.393 21.281 4.501 356 H ALA 45 HN ALA 45 -0.242 17.877 4.755 357 HA ALA 45 HA ALA 45 -0.616 18.467 1.957 358 1HB ALA 45 HB1 ALA 45 1.902 18.136 3.583 359 2HB ALA 45 HB2 ALA 45 1.091 19.654 3.197 360 3HB ALA 45 HB3 ALA 45 1.833 18.699 1.913 361 H LEU 46 HN LEU 46 -0.672 15.626 3.586 362 HA LEU 46 HA LEU 46 0.823 14.112 1.579 363 1HB LEU 46 HB2 LEU 46 -0.410 13.383 4.225 364 2HB LEU 46 HB1 LEU 46 0.156 12.163 3.101 365 HG LEU 46 HG LEU 46 1.760 12.740 4.932 366 1HD1 LEU 46 HD11 LEU 46 2.326 11.824 2.592 367 2HD1 LEU 46 HD12 LEU 46 3.632 12.466 3.588 368 3HD1 LEU 46 HD13 LEU 46 2.959 13.440 2.281 369 1HD2 LEU 46 HD21 LEU 46 2.420 15.235 3.436 370 2HD2 LEU 46 HD22 LEU 46 2.785 14.792 5.103 371 3HD2 LEU 46 HD23 LEU 46 1.146 15.261 4.655 372 H ARG 47 HN ARG 47 -2.416 14.585 2.852 373 HA ARG 47 HA ARG 47 -3.694 12.569 1.339 374 1HB ARG 47 HB2 ARG 47 -4.463 14.680 3.154 375 2HB ARG 47 HB1 ARG 47 -5.569 14.613 1.790 376 1HG ARG 47 HG2 ARG 47 -6.154 12.371 2.252 377 2HG ARG 47 HG1 ARG 47 -4.828 12.190 3.403 378 1HD ARG 47 HD2 ARG 47 -6.486 12.563 4.899 379 2HD ARG 47 HD1 ARG 47 -6.100 14.246 4.540 380 HE ARG 47 HE ARG 47 -8.132 14.461 3.501 381 1HH1 ARG 47 HH11 ARG 47 -7.459 11.072 3.996 382 2HH1 ARG 47 HH12 ARG 47 -9.044 10.560 3.523 383 1HH2 ARG 47 HH21 ARG 47 -10.217 13.789 2.879 384 2HH2 ARG 47 HH22 ARG 47 -10.610 12.103 2.889 385 H ASP 48 HN ASP 48 -3.311 16.069 0.788 386 HA ASP 48 HA ASP 48 -4.573 15.883 -1.786 387 1HB ASP 48 HB2 ASP 48 -4.307 17.923 -0.004 388 2HB ASP 48 HB1 ASP 48 -3.068 18.334 -1.186 389 H GLU 49 HN GLU 49 -1.666 15.001 -0.769 390 HA GLU 49 HA GLU 49 -0.239 15.827 -3.193 391 1HB GLU 49 HB2 GLU 49 1.001 16.253 -1.176 392 2HB GLU 49 HB1 GLU 49 0.743 14.610 -0.608 393 1HG GLU 49 HG2 GLU 49 2.976 14.756 -1.381 394 2HG GLU 49 HG1 GLU 49 2.074 13.813 -2.566 395 H MET 50 HN MET 50 -1.517 13.068 -1.497 396 HA MET 50 HA MET 50 -0.282 11.117 -3.215 397 1HB MET 50 HB2 MET 50 -0.962 10.730 -0.805 398 2HB MET 50 HB1 MET 50 -2.629 10.704 -1.363 399 1HG MET 50 HG2 MET 50 -0.609 8.897 -2.609 400 2HG MET 50 HG1 MET 50 -1.329 8.486 -1.054 401 1HE MET 50 HE1 MET 50 -2.891 6.308 -1.644 402 2HE MET 50 HE2 MET 50 -4.532 6.926 -1.836 403 3HE MET 50 HE3 MET 50 -3.461 7.630 -0.625 404 H ARG 51 HN ARG 51 -3.514 12.526 -2.846 405 HA ARG 51 HA ARG 51 -4.856 11.002 -4.753 406 1HB ARG 51 HB2 ARG 51 -5.279 13.595 -3.421 407 2HB ARG 51 HB1 ARG 51 -6.089 13.425 -4.973 408 1HG ARG 51 HG2 ARG 51 -7.661 12.704 -3.416 409 2HG ARG 51 HG1 ARG 51 -6.980 11.211 -4.065 410 1HD ARG 51 HD2 ARG 51 -5.314 11.536 -2.026 411 2HD ARG 51 HD1 ARG 51 -6.686 12.430 -1.372 412 HE ARG 51 HE ARG 51 -7.358 9.827 -2.404 413 1HH1 ARG 51 HH11 ARG 51 -6.277 11.620 0.389 414 2HH1 ARG 51 HH12 ARG 51 -6.841 10.437 1.521 415 1HH2 ARG 51 HH21 ARG 51 -8.099 8.271 -0.915 416 2HH2 ARG 51 HH22 ARG 51 -7.874 8.536 0.781 417 H ALA 52 HN ALA 52 -2.671 13.694 -5.131 418 HA ALA 52 HA ALA 52 -3.329 14.174 -7.888 419 1HB ALA 52 HB1 ALA 52 -1.639 15.819 -7.860 420 2HB ALA 52 HB2 ALA 52 -0.833 15.079 -6.478 421 3HB ALA 52 HB3 ALA 52 -2.390 15.879 -6.266 422 H LEU 53 HN LEU 53 -0.332 13.024 -6.319 423 HA LEU 53 HA LEU 53 0.911 12.137 -8.657 424 1HB LEU 53 HB2 LEU 53 2.431 10.933 -7.232 425 2HB LEU 53 HB1 LEU 53 2.061 12.484 -6.501 426 HG LEU 53 HG LEU 53 0.236 11.037 -5.220 427 1HD1 LEU 53 HD11 LEU 53 1.424 8.845 -4.622 428 2HD1 LEU 53 HD12 LEU 53 2.303 9.069 -6.134 429 3HD1 LEU 53 HD13 LEU 53 0.546 8.923 -6.149 430 1HD2 LEU 53 HD21 LEU 53 3.132 10.923 -4.407 431 2HD2 LEU 53 HD22 LEU 53 1.711 10.966 -3.362 432 3HD2 LEU 53 HD23 LEU 53 2.154 12.387 -4.307 433 H ALA 54 HN ALA 54 -1.472 10.616 -6.617 434 HA ALA 54 HA ALA 54 -1.128 7.977 -7.656 435 1HB ALA 54 HB1 ALA 54 -2.119 8.508 -5.428 436 2HB ALA 54 HB2 ALA 54 -3.079 7.399 -6.408 437 3HB ALA 54 HB3 ALA 54 -3.556 9.091 -6.268 438 H GLY 55 HN GLY 55 -2.644 10.800 -8.845 439 1HA GLY 55 HA2 GLY 55 -3.848 11.192 -10.760 440 2HA GLY 55 HA1 GLY 55 -3.374 9.582 -11.282 441 H ASN 56 HN ASN 56 -5.321 10.592 -8.495 442 HA ASN 56 HA ASN 56 -7.847 10.073 -9.517 443 1HB ASN 56 HB2 ASN 56 -8.179 7.824 -8.219 444 2HB ASN 56 HB1 ASN 56 -7.509 7.794 -9.845 445 1HD2 ASN 56 HD21 ASN 56 -6.398 8.147 -6.494 446 2HD2 ASN 56 HD22 ASN 56 -5.027 7.109 -6.660 447 HA PRO 57 HA PRO 57 -8.223 11.853 -5.492 448 1HB PRO 57 HB2 PRO 57 -10.560 13.170 -6.365 449 2HB PRO 57 HB1 PRO 57 -8.936 13.836 -6.274 450 1HG PRO 57 HG2 PRO 57 -10.394 13.404 -8.600 451 2HG PRO 57 HG1 PRO 57 -8.642 13.656 -8.508 452 1HD PRO 57 HD2 PRO 57 -10.186 11.114 -8.738 453 2HD PRO 57 HD1 PRO 57 -8.629 11.568 -9.465 454 H LYS 58 HN LYS 58 -9.479 9.225 -6.396 455 HA LYS 58 HA LYS 58 -11.661 9.245 -4.433 456 1HB LYS 58 HB2 LYS 58 -12.977 7.749 -5.816 457 2HB LYS 58 HB1 LYS 58 -12.610 9.216 -6.712 458 1HG LYS 58 HG2 LYS 58 -11.164 8.141 -8.148 459 2HG LYS 58 HG1 LYS 58 -10.855 6.822 -7.017 460 1HD LYS 58 HD2 LYS 58 -13.615 7.192 -8.080 461 2HD LYS 58 HD1 LYS 58 -12.390 6.469 -9.124 462 1HE LYS 58 HE2 LYS 58 -12.950 4.536 -8.149 463 2HE LYS 58 HE1 LYS 58 -12.025 5.122 -6.767 464 1HZ LYS 58 HZ1 LYS 58 -14.955 5.262 -7.179 465 2HZ LYS 58 HZ2 LYS 58 -14.160 6.152 -5.981 466 3HZ LYS 58 HZ3 LYS 58 -14.115 4.461 -5.947 467 H ALA 59 HN ALA 59 -8.678 8.192 -4.981 468 HA ALA 59 HA ALA 59 -8.698 5.421 -4.682 469 1HB ALA 59 HB1 ALA 59 -6.482 6.479 -3.247 470 2HB ALA 59 HB2 ALA 59 -6.770 7.498 -4.657 471 3HB ALA 59 HB3 ALA 59 -6.514 5.766 -4.860 472 H THR 60 HN THR 60 -7.219 4.839 -2.410 473 HA THR 60 HA THR 60 -8.838 5.670 -0.128 474 HB THR 60 HB THR 60 -8.795 3.091 0.479 475 HG1 THR 60 HG1 THR 60 -7.797 2.289 -1.304 476 1HG2 THR 60 HG21 THR 60 -10.897 3.312 -1.451 477 2HG2 THR 60 HG22 THR 60 -10.757 4.805 -0.523 478 3HG2 THR 60 HG23 THR 60 -10.988 3.267 0.309 479 HA PRO 61 HA PRO 61 -5.311 5.670 2.483 480 1HB PRO 61 HB2 PRO 61 -5.953 3.391 4.101 481 2HB PRO 61 HB1 PRO 61 -6.127 5.098 4.503 482 1HG PRO 61 HG2 PRO 61 -8.148 3.180 3.535 483 2HG PRO 61 HG1 PRO 61 -8.365 4.677 4.455 484 1HD PRO 61 HD2 PRO 61 -9.053 4.476 1.856 485 2HD PRO 61 HD1 PRO 61 -8.424 5.985 2.550 486 HA PRO 62 HA PRO 62 -3.468 1.229 1.993 487 1HB PRO 62 HB2 PRO 62 -4.992 -0.629 0.700 488 2HB PRO 62 HB1 PRO 62 -4.983 -0.425 2.455 489 1HG PRO 62 HG2 PRO 62 -6.936 0.611 0.438 490 2HG PRO 62 HG1 PRO 62 -7.247 -0.122 2.023 491 1HD PRO 62 HD2 PRO 62 -7.330 2.542 1.646 492 2HD PRO 62 HD1 PRO 62 -6.749 1.828 3.163 493 H GLN 63 HN GLN 63 -2.126 2.190 0.509 494 HA GLN 63 HA GLN 63 -2.584 1.460 -2.272 495 1HB GLN 63 HB2 GLN 63 -2.108 4.298 -1.355 496 2HB GLN 63 HB1 GLN 63 -1.887 3.767 -3.016 497 1HG GLN 63 HG2 GLN 63 -4.486 3.369 -1.584 498 2HG GLN 63 HG1 GLN 63 -4.093 4.891 -2.380 499 1HE2 GLN 63 HE21 GLN 63 -6.248 3.243 -3.087 500 2HE2 GLN 63 HE22 GLN 63 -5.975 2.651 -4.687 501 H ILE 64 HN ILE 64 -0.841 0.278 -2.693 502 HA ILE 64 HA ILE 64 1.670 0.738 -1.362 503 HB ILE 64 HB ILE 64 1.145 -1.154 -3.651 504 1HG1 ILE 64 HG12 ILE 64 1.084 -2.743 -1.472 505 2HG1 ILE 64 HG11 ILE 64 0.379 -1.282 -0.788 506 1HG2 ILE 64 HG21 ILE 64 3.386 -1.295 -3.439 507 2HG2 ILE 64 HG22 ILE 64 2.977 -2.353 -2.089 508 3HG2 ILE 64 HG23 ILE 64 3.379 -0.662 -1.793 509 1HD1 ILE 64 HD11 ILE 64 -0.794 -1.907 -3.345 510 2HD1 ILE 64 HD12 ILE 64 -1.563 -1.677 -1.774 511 3HD1 ILE 64 HD13 ILE 64 -0.927 -3.260 -2.222 512 H VAL 65 HN VAL 65 3.524 1.572 -2.182 513 HA VAL 65 HA VAL 65 3.464 2.577 -4.949 514 HB VAL 65 HB VAL 65 4.573 4.047 -2.553 515 1HG1 VAL 65 HG11 VAL 65 4.251 5.470 -5.098 516 2HG1 VAL 65 HG12 VAL 65 5.500 4.226 -5.100 517 3HG1 VAL 65 HG13 VAL 65 5.559 5.533 -3.918 518 1HG2 VAL 65 HG21 VAL 65 2.281 4.903 -4.297 519 2HG2 VAL 65 HG22 VAL 65 2.772 5.552 -2.731 520 3HG2 VAL 65 HG23 VAL 65 2.049 3.946 -2.833 521 H ASN 66 HN ASN 66 5.294 2.301 -6.113 522 HA ASN 66 HA ASN 66 7.404 0.702 -4.884 523 1HB ASN 66 HB2 ASN 66 6.138 0.654 -7.396 524 2HB ASN 66 HB1 ASN 66 7.788 1.185 -7.706 525 1HD2 ASN 66 HD21 ASN 66 9.076 -0.199 -5.647 526 2HD2 ASN 66 HD22 ASN 66 9.010 -1.888 -6.001 527 H GLY 67 HN GLY 67 8.442 2.360 -3.703 528 1HA GLY 67 HA2 GLY 67 10.239 3.787 -3.455 529 2HA GLY 67 HA1 GLY 67 10.475 3.725 -5.194 530 H ASP 68 HN ASP 68 8.556 4.868 -6.405 531 HA ASP 68 HA ASP 68 7.421 7.133 -5.065 532 1HB ASP 68 HB2 ASP 68 9.784 7.863 -5.415 533 2HB ASP 68 HB1 ASP 68 9.545 7.672 -7.150 534 H GLN 69 HN GLN 69 6.591 4.870 -6.729 535 HA GLN 69 HA GLN 69 5.193 6.410 -8.803 536 1HB GLN 69 HB2 GLN 69 6.995 4.147 -9.171 537 2HB GLN 69 HB1 GLN 69 5.416 3.874 -9.889 538 1HG GLN 69 HG2 GLN 69 5.767 6.245 -10.898 539 2HG GLN 69 HG1 GLN 69 7.467 5.932 -10.552 540 1HE2 GLN 69 HE21 GLN 69 8.540 4.303 -11.664 541 2HE2 GLN 69 HE22 GLN 69 7.909 3.607 -13.113 542 H TYR 70 HN TYR 70 3.188 5.422 -9.517 543 HA TYR 70 HA TYR 70 1.728 4.333 -7.289 544 1HB TYR 70 HB2 TYR 70 0.896 6.058 -9.016 545 2HB TYR 70 HB1 TYR 70 0.647 4.676 -10.076 546 HD1 TYR 70 HD1 TYR 70 -1.668 4.491 -10.264 547 HD2 TYR 70 HD2 TYR 70 0.064 4.960 -6.407 548 HE1 TYR 70 HE1 TYR 70 -3.867 4.099 -9.236 549 HE2 TYR 70 HE2 TYR 70 -2.130 4.568 -5.368 550 HH TYR 70 HH TYR 70 -4.472 4.680 -5.912 551 H CYS 71 HN CYS 71 2.310 2.253 -6.887 552 HA CYS 71 HA CYS 71 2.601 0.323 -9.003 553 1HB CYS 71 HB2 CYS 71 3.720 0.460 -6.589 554 2HB CYS 71 HB1 CYS 71 2.330 -0.531 -6.161 555 HG CYS 71 HG CYS 71 3.230 -2.432 -7.547 556 H GLY 72 HN GLY 72 0.317 0.732 -6.285 557 1HA GLY 72 HA2 GLY 72 -1.982 0.146 -7.726 558 2HA GLY 72 HA1 GLY 72 -1.384 -1.387 -7.113 559 H ASP 73 HN ASP 73 -2.869 -1.871 -5.598 560 HA ASP 73 HA ASP 73 -2.817 -0.381 -3.145 561 1HB ASP 73 HB2 ASP 73 -5.193 0.132 -3.035 562 2HB ASP 73 HB1 ASP 73 -4.490 0.890 -4.459 563 H TYR 74 HN TYR 74 -5.099 -1.430 -1.944 564 HA TYR 74 HA TYR 74 -4.255 -3.931 -1.105 565 1HB TYR 74 HB2 TYR 74 -5.816 -2.540 0.172 566 2HB TYR 74 HB1 TYR 74 -7.060 -2.798 -1.046 567 HD1 TYR 74 HD1 TYR 74 -5.178 -4.334 1.706 568 HD2 TYR 74 HD2 TYR 74 -8.265 -4.890 -1.168 569 HE1 TYR 74 HE1 TYR 74 -5.932 -6.339 2.913 570 HE2 TYR 74 HE2 TYR 74 -9.029 -6.896 0.032 571 HH TYR 74 HH TYR 74 -8.843 -7.721 2.544 572 H GLU 75 HN GLU 75 -6.935 -3.206 -3.352 573 HA GLU 75 HA GLU 75 -7.758 -5.750 -3.932 574 1HB GLU 75 HB2 GLU 75 -8.373 -3.257 -4.815 575 2HB GLU 75 HB1 GLU 75 -7.613 -3.935 -6.245 576 1HG GLU 75 HG2 GLU 75 -9.450 -5.817 -5.102 577 2HG GLU 75 HG1 GLU 75 -10.244 -4.269 -5.380 578 H LEU 76 HN LEU 76 -5.467 -3.896 -5.953 579 HA LEU 76 HA LEU 76 -4.731 -5.938 -7.663 580 1HB LEU 76 HB2 LEU 76 -2.987 -3.698 -6.635 581 2HB LEU 76 HB1 LEU 76 -2.662 -4.666 -8.061 582 HG LEU 76 HG LEU 76 -5.154 -3.721 -8.632 583 1HD1 LEU 76 HD11 LEU 76 -5.603 -1.698 -7.757 584 2HD1 LEU 76 HD12 LEU 76 -3.905 -1.225 -7.704 585 3HD1 LEU 76 HD13 LEU 76 -4.572 -2.258 -6.440 586 1HD2 LEU 76 HD21 LEU 76 -4.114 -2.727 -10.376 587 2HD2 LEU 76 HD22 LEU 76 -2.727 -3.634 -9.771 588 3HD2 LEU 76 HD23 LEU 76 -2.918 -1.931 -9.352 589 H PHE 77 HN PHE 77 -2.808 -4.847 -4.861 590 HA PHE 77 HA PHE 77 -0.894 -6.797 -4.823 591 1HB PHE 77 HB2 PHE 77 -0.785 -4.934 -3.304 592 2HB PHE 77 HB1 PHE 77 -2.262 -5.440 -2.494 593 HD1 PHE 77 HD1 PHE 77 -2.228 -7.630 -1.212 594 HD2 PHE 77 HD2 PHE 77 1.302 -5.685 -2.580 595 HE1 PHE 77 HE1 PHE 77 -0.896 -8.913 0.410 596 HE2 PHE 77 HE2 PHE 77 2.640 -6.965 -0.961 597 HZ PHE 77 HZ PHE 77 1.541 -8.582 0.537 598 H VAL 78 HN VAL 78 -3.992 -6.937 -3.056 599 HA VAL 78 HA VAL 78 -3.673 -9.576 -2.127 600 HB VAL 78 HB VAL 78 -6.271 -8.119 -2.645 601 1HG1 VAL 78 HG11 VAL 78 -6.828 -9.644 -0.555 602 2HG1 VAL 78 HG12 VAL 78 -5.555 -10.646 -1.252 603 3HG1 VAL 78 HG13 VAL 78 -6.982 -10.244 -2.206 604 1HG2 VAL 78 HG21 VAL 78 -4.307 -7.203 -1.043 605 2HG2 VAL 78 HG22 VAL 78 -5.157 -8.263 0.081 606 3HG2 VAL 78 HG23 VAL 78 -6.024 -6.956 -0.725 607 H GLU 79 HN GLU 79 -4.866 -8.262 -5.137 608 HA GLU 79 HA GLU 79 -6.011 -10.744 -6.033 609 1HB GLU 79 HB2 GLU 79 -6.835 -8.504 -6.770 610 2HB GLU 79 HB1 GLU 79 -5.335 -8.294 -7.664 611 1HG GLU 79 HG2 GLU 79 -6.331 -10.773 -8.470 612 2HG GLU 79 HG1 GLU 79 -7.730 -9.702 -8.402 613 H ALA 80 HN ALA 80 -2.885 -9.785 -5.629 614 HA ALA 80 HA ALA 80 -1.877 -11.102 -8.037 615 1HB ALA 80 HB1 ALA 80 0.257 -10.186 -7.492 616 2HB ALA 80 HB2 ALA 80 -0.283 -9.741 -5.874 617 3HB ALA 80 HB3 ALA 80 -0.939 -8.908 -7.282 618 H VAL 81 HN VAL 81 -1.480 -11.291 -4.495 619 HA VAL 81 HA VAL 81 0.125 -13.563 -4.394 620 HB VAL 81 HB VAL 81 -2.028 -12.824 -2.403 621 1HG1 VAL 81 HG11 VAL 81 -1.374 -14.890 -1.683 622 2HG1 VAL 81 HG12 VAL 81 -0.150 -13.899 -0.889 623 3HG1 VAL 81 HG13 VAL 81 0.237 -14.748 -2.385 624 1HG2 VAL 81 HG21 VAL 81 -0.426 -11.485 -1.267 625 2HG2 VAL 81 HG22 VAL 81 -0.404 -10.984 -2.957 626 3HG2 VAL 81 HG23 VAL 81 0.873 -12.024 -2.329 627 H GLU 82 HN GLU 82 -3.305 -13.232 -4.876 628 HA GLU 82 HA GLU 82 -4.233 -15.778 -4.316 629 1HB GLU 82 HB2 GLU 82 -5.989 -15.260 -6.052 630 2HB GLU 82 HB1 GLU 82 -5.788 -14.045 -4.795 631 1HG GLU 82 HG2 GLU 82 -5.719 -12.598 -6.489 632 2HG GLU 82 HG1 GLU 82 -4.053 -13.147 -6.687 633 H GLN 83 HN GLN 83 -2.956 -14.543 -7.401 634 HA GLN 83 HA GLN 83 -2.946 -17.269 -8.469 635 1HB GLN 83 HB2 GLN 83 -3.692 -14.913 -9.624 636 2HB GLN 83 HB1 GLN 83 -2.037 -15.061 -10.195 637 1HG GLN 83 HG2 GLN 83 -2.785 -17.496 -10.796 638 2HG GLN 83 HG1 GLN 83 -4.397 -16.783 -10.752 639 1HE2 GLN 83 HE21 GLN 83 -4.911 -15.130 -12.228 640 2HE2 GLN 83 HE22 GLN 83 -4.016 -14.922 -13.691 641 H ASN 84 HN ASN 84 -0.960 -15.568 -6.629 642 HA ASN 84 HA ASN 84 1.215 -15.846 -6.071 643 1HB ASN 84 HB2 ASN 84 0.767 -18.133 -7.481 644 2HB ASN 84 HB1 ASN 84 2.023 -17.382 -8.460 645 1HD2 ASN 84 HD21 ASN 84 3.701 -18.676 -7.980 646 2HD2 ASN 84 HD22 ASN 84 4.364 -18.868 -6.396 647 H THR 85 HN THR 85 0.037 -13.904 -8.034 648 HA THR 85 HA THR 85 2.279 -13.234 -9.730 649 HB THR 85 HB THR 85 0.534 -11.115 -9.904 650 HG1 THR 85 HG1 THR 85 -1.051 -13.442 -9.621 651 1HG2 THR 85 HG21 THR 85 1.015 -11.874 -11.962 652 2HG2 THR 85 HG22 THR 85 -0.531 -12.701 -11.775 653 3HG2 THR 85 HG23 THR 85 0.974 -13.567 -11.469 654 H LEU 86 HN LEU 86 1.145 -12.504 -6.594 655 HA LEU 86 HA LEU 86 1.661 -10.022 -5.879 656 1HB LEU 86 HB2 LEU 86 1.277 -11.778 -4.259 657 2HB LEU 86 HB1 LEU 86 2.879 -12.432 -4.543 658 HG LEU 86 HG LEU 86 3.724 -10.119 -3.750 659 1HD1 LEU 86 HD11 LEU 86 1.415 -9.895 -1.990 660 2HD1 LEU 86 HD12 LEU 86 1.040 -9.558 -3.680 661 3HD1 LEU 86 HD13 LEU 86 2.307 -8.647 -2.860 662 1HD2 LEU 86 HD21 LEU 86 2.548 -11.449 -1.422 663 2HD2 LEU 86 HD22 LEU 86 4.237 -11.138 -1.821 664 3HD2 LEU 86 HD23 LEU 86 3.408 -12.528 -2.521 665 H GLN 87 HN GLN 87 4.282 -12.270 -6.732 666 HA GLN 87 HA GLN 87 6.455 -10.670 -6.097 667 1HB GLN 87 HB2 GLN 87 6.863 -12.923 -6.765 668 2HB GLN 87 HB1 GLN 87 6.089 -12.672 -8.324 669 1HG GLN 87 HG2 GLN 87 7.882 -11.331 -9.102 670 2HG GLN 87 HG1 GLN 87 8.587 -11.223 -7.490 671 1HE2 GLN 87 HE21 GLN 87 7.545 -13.741 -9.771 672 2HE2 GLN 87 HE22 GLN 87 8.936 -14.744 -9.564 673 H GLU 88 HN GLU 88 4.846 -10.923 -9.270 674 HA GLU 88 HA GLU 88 6.210 -9.039 -10.691 675 1HB GLU 88 HB2 GLU 88 4.001 -10.500 -11.171 676 2HB GLU 88 HB1 GLU 88 3.262 -8.917 -10.971 677 1HG GLU 88 HG2 GLU 88 5.012 -8.105 -12.658 678 2HG GLU 88 HG1 GLU 88 5.250 -9.814 -13.020 679 H PHE 89 HN PHE 89 4.037 -8.496 -8.045 680 HA PHE 89 HA PHE 89 3.992 -5.618 -8.546 681 1HB PHE 89 HB2 PHE 89 1.887 -6.908 -7.971 682 2HB PHE 89 HB1 PHE 89 2.560 -7.135 -6.362 683 HD1 PHE 89 HD1 PHE 89 3.134 -5.052 -5.014 684 HD2 PHE 89 HD2 PHE 89 0.696 -4.987 -8.500 685 HE1 PHE 89 HE1 PHE 89 2.196 -2.889 -4.313 686 HE2 PHE 89 HE2 PHE 89 -0.245 -2.824 -7.807 687 HZ PHE 89 HZ PHE 89 0.505 -1.770 -5.711 688 H LEU 90 HN LEU 90 5.427 -7.998 -6.484 689 HA LEU 90 HA LEU 90 6.374 -5.951 -4.620 690 1HB LEU 90 HB2 LEU 90 6.167 -8.923 -4.548 691 2HB LEU 90 HB1 LEU 90 7.382 -8.144 -3.553 692 HG LEU 90 HG LEU 90 4.400 -7.702 -3.418 693 1HD1 LEU 90 HD11 LEU 90 4.394 -8.923 -1.472 694 2HD1 LEU 90 HD12 LEU 90 6.113 -8.664 -1.176 695 3HD1 LEU 90 HD13 LEU 90 5.594 -9.799 -2.422 696 1HD2 LEU 90 HD21 LEU 90 6.698 -6.234 -2.211 697 2HD2 LEU 90 HD22 LEU 90 5.202 -6.407 -1.294 698 3HD2 LEU 90 HD23 LEU 90 5.185 -5.611 -2.868 699 H LYS 91 HN LYS 91 7.929 -8.863 -5.960 700 HA LYS 91 HA LYS 91 10.442 -7.393 -6.114 701 1HB LYS 91 HB2 LYS 91 10.188 -10.284 -6.838 702 2HB LYS 91 HB1 LYS 91 11.541 -9.433 -6.105 703 1HG LYS 91 HG2 LYS 91 9.478 -9.202 -4.254 704 2HG LYS 91 HG1 LYS 91 9.364 -10.855 -4.859 705 1HD LYS 91 HD2 LYS 91 11.860 -11.029 -4.446 706 2HD LYS 91 HD1 LYS 91 11.722 -9.507 -3.563 707 1HE LYS 91 HE2 LYS 91 9.733 -10.874 -2.400 708 2HE LYS 91 HE1 LYS 91 10.783 -12.219 -2.845 709 1HZ LYS 91 HZ1 LYS 91 11.518 -9.874 -1.179 710 2HZ LYS 91 HZ2 LYS 91 12.610 -11.059 -1.692 711 3HZ LYS 91 HZ3 LYS 91 11.340 -11.473 -0.655 712 H LEU 92 HN LEU 92 7.895 -7.927 -8.153 713 HA LEU 92 HA LEU 92 7.589 -7.711 -10.385 714 1HB LEU 92 HB2 LEU 92 10.424 -6.709 -10.507 715 2HB LEU 92 HB1 LEU 92 9.123 -6.368 -11.631 716 HG LEU 92 HG LEU 92 9.231 -4.405 -10.420 717 1HD1 LEU 92 HD11 LEU 92 6.950 -5.161 -10.365 718 2HD1 LEU 92 HD12 LEU 92 7.329 -4.380 -8.830 719 3HD1 LEU 92 HD13 LEU 92 7.265 -6.141 -8.931 720 1HD2 LEU 92 HD21 LEU 92 10.813 -5.650 -8.717 721 2HD2 LEU 92 HD22 LEU 92 9.348 -5.677 -7.736 722 3HD2 LEU 92 HD23 LEU 92 10.010 -4.138 -8.289 723 H ALA 93 HN ALA 93 11.055 -8.474 -10.424 724 HA ALA 93 HA ALA 93 10.492 -11.131 -11.468 725 1HB ALA 93 HB1 ALA 93 12.457 -9.628 -13.081 726 2HB ALA 93 HB2 ALA 93 10.761 -9.197 -13.304 727 3HB ALA 93 HB3 ALA 93 11.291 -10.859 -13.566 728 H LEU 94 HN LEU 94 13.315 -8.952 -11.404 729 HA LEU 94 HA LEU 94 15.384 -9.168 -10.484 730 1HB LEU 94 HB2 LEU 94 13.673 -10.657 -8.530 731 2HB LEU 94 HB1 LEU 94 15.416 -10.658 -8.339 732 HG LEU 94 HG LEU 94 13.783 -8.130 -8.505 733 1HD1 LEU 94 HD11 LEU 94 13.463 -9.875 -6.503 734 2HD1 LEU 94 HD12 LEU 94 13.422 -8.127 -6.274 735 3HD1 LEU 94 HD13 LEU 94 14.896 -9.029 -5.921 736 1HD2 LEU 94 HD21 LEU 94 16.211 -8.019 -9.056 737 2HD2 LEU 94 HD22 LEU 94 16.557 -8.610 -7.431 738 3HD2 LEU 94 HD23 LEU 94 15.746 -7.060 -7.652 739 H GLU 95 HN GLU 95 14.530 -11.010 -12.571 740 HA GLU 95 HA GLU 95 15.787 -13.542 -11.921 741 1HB GLU 95 HB2 GLU 95 13.725 -13.016 -13.517 742 2HB GLU 95 HB1 GLU 95 15.004 -12.843 -14.710 743 1HG GLU 95 HG2 GLU 95 15.723 -15.082 -14.386 744 2HG GLU 95 HG1 GLU 95 14.685 -15.274 -12.973 Start of MODEL 6 1 1H MET 1 HT1 MET 1 18.845 -4.591 1.917 2 2H MET 1 HT2 MET 1 18.523 -4.961 0.272 3 3H MET 1 HT3 MET 1 17.226 -4.746 1.375 4 HA MET 1 HA MET 1 17.859 -2.465 1.683 5 1HB MET 1 HB2 MET 1 20.287 -3.208 0.878 6 2HB MET 1 HB1 MET 1 19.669 -2.671 -0.678 7 1HG MET 1 HG2 MET 1 19.251 -0.832 1.585 8 2HG MET 1 HG1 MET 1 20.919 -1.068 1.067 9 1HE MET 1 HE1 MET 1 17.469 -0.178 0.392 10 2HE MET 1 HE2 MET 1 17.370 0.441 -1.257 11 3HE MET 1 HE3 MET 1 17.883 1.503 0.054 12 H SER 2 HN SER 2 15.641 -2.790 0.960 13 HA SER 2 HA SER 2 15.320 -2.007 -1.855 14 1HB SER 2 HB2 SER 2 14.051 -4.291 -0.416 15 2HB SER 2 HB1 SER 2 13.065 -3.399 -1.575 16 HG SER 2 HG SER 2 15.357 -4.951 -1.999 17 H GLY 3 HN GLY 3 13.552 -0.654 -2.303 18 1HA GLY 3 HA2 GLY 3 12.513 0.721 0.082 19 2HA GLY 3 HA1 GLY 3 12.644 1.425 -1.522 20 H LEU 4 HN LEU 4 10.362 1.099 0.404 21 HA LEU 4 HA LEU 4 8.396 0.379 -1.573 22 1HB LEU 4 HB2 LEU 4 8.936 -1.340 0.814 23 2HB LEU 4 HB1 LEU 4 7.291 -1.176 0.230 24 HG LEU 4 HG LEU 4 9.645 -2.261 -1.316 25 1HD1 LEU 4 HD11 LEU 4 8.548 -3.693 0.462 26 2HD1 LEU 4 HD12 LEU 4 8.595 -4.363 -1.168 27 3HD1 LEU 4 HD13 LEU 4 7.101 -3.662 -0.546 28 1HD2 LEU 4 HD21 LEU 4 7.853 -2.795 -3.020 29 2HD2 LEU 4 HD22 LEU 4 8.324 -1.100 -2.893 30 3HD2 LEU 4 HD23 LEU 4 6.821 -1.656 -2.156 31 H ARG 5 HN ARG 5 7.083 2.074 -1.436 32 HA ARG 5 HA ARG 5 6.579 3.293 1.179 33 1HB ARG 5 HB2 ARG 5 5.668 4.378 -1.477 34 2HB ARG 5 HB1 ARG 5 5.900 5.246 0.035 35 1HG ARG 5 HG2 ARG 5 8.400 4.225 -0.481 36 2HG ARG 5 HG1 ARG 5 7.795 4.643 -2.085 37 1HD ARG 5 HD2 ARG 5 7.060 6.849 -0.776 38 2HD ARG 5 HD1 ARG 5 8.435 6.386 0.226 39 HE ARG 5 HE ARG 5 8.509 7.408 -2.460 40 1HH1 ARG 5 HH11 ARG 5 10.221 5.540 -0.060 41 2HH1 ARG 5 HH12 ARG 5 11.777 5.832 -0.761 42 1HH2 ARG 5 HH21 ARG 5 10.555 7.794 -3.383 43 2HH2 ARG 5 HH22 ARG 5 11.967 7.113 -2.647 44 H VAL 6 HN VAL 6 4.864 2.586 2.250 45 HA VAL 6 HA VAL 6 2.500 1.712 0.727 46 HB VAL 6 HB VAL 6 3.172 1.052 3.597 47 1HG1 VAL 6 HG11 VAL 6 1.464 -0.756 3.192 48 2HG1 VAL 6 HG12 VAL 6 1.047 0.084 1.698 49 3HG1 VAL 6 HG13 VAL 6 0.831 0.889 3.252 50 1HG2 VAL 6 HG21 VAL 6 3.280 -1.084 1.585 51 2HG2 VAL 6 HG22 VAL 6 4.335 -0.765 2.961 52 3HG2 VAL 6 HG23 VAL 6 4.558 0.124 1.454 53 H TYR 7 HN TYR 7 0.907 3.151 0.666 54 HA TYR 7 HA TYR 7 0.772 5.310 2.572 55 1HB TYR 7 HB2 TYR 7 -0.709 4.589 0.075 56 2HB TYR 7 HB1 TYR 7 -1.402 5.775 1.174 57 HD1 TYR 7 HD1 TYR 7 1.461 5.044 -1.034 58 HD2 TYR 7 HD2 TYR 7 -0.502 7.980 1.337 59 HE1 TYR 7 HE1 TYR 7 2.867 6.791 -2.043 60 HE2 TYR 7 HE2 TYR 7 0.898 9.735 0.334 61 HH TYR 7 HH TYR 7 3.242 9.803 -0.789 62 H SER 8 HN SER 8 -0.792 5.695 4.084 63 HA SER 8 HA SER 8 -3.054 3.952 4.408 64 1HB SER 8 HB2 SER 8 -1.021 3.931 6.641 65 2HB SER 8 HB1 SER 8 -2.461 2.927 6.473 66 HG SER 8 HG SER 8 -0.999 1.583 5.713 67 H THR 9 HN THR 9 -4.012 4.458 6.765 68 HA THR 9 HA THR 9 -3.778 7.360 7.200 69 HB THR 9 HB THR 9 -5.820 6.979 5.964 70 HG1 THR 9 HG1 THR 9 -6.923 8.229 7.241 71 1HG2 THR 9 HG21 THR 9 -7.614 5.586 6.736 72 2HG2 THR 9 HG22 THR 9 -6.673 5.092 8.144 73 3HG2 THR 9 HG23 THR 9 -6.162 4.607 6.527 74 H SER 10 HN SER 10 -3.135 7.785 9.197 75 HA SER 10 HA SER 10 -2.872 5.899 11.234 76 1HB SER 10 HB2 SER 10 -2.684 8.858 11.051 77 2HB SER 10 HB1 SER 10 -2.892 8.178 12.665 78 HG SER 10 HG SER 10 -0.858 7.704 12.594 79 H VAL 11 HN VAL 11 -5.454 8.214 10.577 80 HA VAL 11 HA VAL 11 -7.021 7.010 12.762 81 HB VAL 11 HB VAL 11 -6.643 9.431 13.012 82 1HG1 VAL 11 HG11 VAL 11 -6.878 9.577 10.313 83 2HG1 VAL 11 HG12 VAL 11 -6.989 10.960 11.402 84 3HG1 VAL 11 HG13 VAL 11 -8.458 10.171 10.826 85 1HG2 VAL 11 HG21 VAL 11 -9.301 8.197 12.763 86 2HG2 VAL 11 HG22 VAL 11 -9.290 9.960 12.790 87 3HG2 VAL 11 HG23 VAL 11 -8.566 9.054 14.119 88 H THR 12 HN THR 12 -8.729 5.812 12.238 89 HA THR 12 HA THR 12 -10.019 6.233 9.632 90 HB THR 12 HB THR 12 -9.641 3.456 10.699 91 HG1 THR 12 HG1 THR 12 -7.556 4.340 10.537 92 1HG2 THR 12 HG21 THR 12 -9.967 2.737 8.505 93 2HG2 THR 12 HG22 THR 12 -9.688 4.347 7.841 94 3HG2 THR 12 HG23 THR 12 -11.165 4.008 8.743 95 H GLY 13 HN GLY 13 -12.221 5.820 9.555 96 1HA GLY 13 HA2 GLY 13 -13.481 5.392 12.193 97 2HA GLY 13 HA1 GLY 13 -14.163 6.400 10.925 98 H SER 14 HN SER 14 -13.443 4.411 8.846 99 HA SER 14 HA SER 14 -15.869 2.979 8.811 100 1HB SER 14 HB2 SER 14 -13.349 2.526 7.195 101 2HB SER 14 HB1 SER 14 -14.930 1.835 6.830 102 HG SER 14 HG SER 14 -14.417 4.619 7.013 103 H ARG 15 HN ARG 15 -15.750 0.489 8.303 104 HA ARG 15 HA ARG 15 -14.269 -0.749 10.504 105 1HB ARG 15 HB2 ARG 15 -16.893 -1.529 9.269 106 2HB ARG 15 HB1 ARG 15 -16.054 -2.499 10.472 107 1HG ARG 15 HG2 ARG 15 -16.150 -0.181 11.795 108 2HG ARG 15 HG1 ARG 15 -17.582 0.010 10.783 109 1HD ARG 15 HD2 ARG 15 -17.384 -2.635 11.988 110 2HD ARG 15 HD1 ARG 15 -17.455 -1.340 13.183 111 HE ARG 15 HE ARG 15 -19.435 -1.006 11.169 112 1HH1 ARG 15 HH11 ARG 15 -18.683 -2.824 14.052 113 2HH1 ARG 15 HH12 ARG 15 -20.343 -3.108 14.457 114 1HH2 ARG 15 HH21 ARG 15 -21.618 -1.379 11.700 115 2HH2 ARG 15 HH22 ARG 15 -22.009 -2.289 13.121 116 H GLU 16 HN GLU 16 -14.596 -0.617 7.241 117 HA GLU 16 HA GLU 16 -13.444 -3.268 6.775 118 1HB GLU 16 HB2 GLU 16 -14.365 -1.291 4.688 119 2HB GLU 16 HB1 GLU 16 -14.031 -3.003 4.467 120 1HG GLU 16 HG2 GLU 16 -15.953 -3.080 6.382 121 2HG GLU 16 HG1 GLU 16 -16.436 -1.659 5.457 122 H ILE 17 HN ILE 17 -12.785 0.149 6.491 123 HA ILE 17 HA ILE 17 -10.411 -0.055 4.955 124 HB ILE 17 HB ILE 17 -11.227 2.128 6.878 125 1HG1 ILE 17 HG12 ILE 17 -11.685 1.867 3.898 126 2HG1 ILE 17 HG11 ILE 17 -12.921 1.717 5.143 127 1HG2 ILE 17 HG21 ILE 17 -9.111 2.791 6.482 128 2HG2 ILE 17 HG22 ILE 17 -9.775 3.342 4.944 129 3HG2 ILE 17 HG23 ILE 17 -8.955 1.784 5.042 130 1HD1 ILE 17 HD11 ILE 17 -13.293 3.872 4.670 131 2HD1 ILE 17 HD12 ILE 17 -11.686 4.107 3.982 132 3HD1 ILE 17 HD13 ILE 17 -11.912 4.151 5.730 133 H LYS 18 HN LYS 18 -11.112 -0.298 8.371 134 HA LYS 18 HA LYS 18 -8.434 -0.013 9.286 135 1HB LYS 18 HB2 LYS 18 -11.026 -0.855 10.458 136 2HB LYS 18 HB1 LYS 18 -9.574 -1.415 11.276 137 1HG LYS 18 HG2 LYS 18 -9.041 0.640 12.031 138 2HG LYS 18 HG1 LYS 18 -9.634 1.447 10.578 139 1HD LYS 18 HD2 LYS 18 -11.701 1.740 11.433 140 2HD LYS 18 HD1 LYS 18 -11.704 0.165 12.229 141 1HE LYS 18 HE2 LYS 18 -10.259 1.059 13.992 142 2HE LYS 18 HE1 LYS 18 -10.258 2.631 13.194 143 1HZ LYS 18 HZ1 LYS 18 -12.791 1.350 14.001 144 2HZ LYS 18 HZ2 LYS 18 -12.473 2.987 13.718 145 3HZ LYS 18 HZ3 LYS 18 -11.881 2.240 15.115 146 H SER 19 HN SER 19 -10.350 -2.693 8.131 147 HA SER 19 HA SER 19 -8.505 -4.710 9.029 148 1HB SER 19 HB2 SER 19 -10.494 -5.244 6.864 149 2HB SER 19 HB1 SER 19 -10.021 -6.257 8.228 150 HG SER 19 HG SER 19 -11.205 -4.873 9.586 151 H GLN 20 HN GLN 20 -9.064 -2.874 6.104 152 HA GLN 20 HA GLN 20 -7.512 -4.436 4.344 153 1HB GLN 20 HB2 GLN 20 -8.695 -1.737 4.343 154 2HB GLN 20 HB1 GLN 20 -7.271 -1.916 3.327 155 1HG GLN 20 HG2 GLN 20 -9.137 -2.342 1.956 156 2HG GLN 20 HG1 GLN 20 -8.391 -3.905 2.284 157 1HE2 GLN 20 HE21 GLN 20 -11.152 -1.888 2.765 158 2HE2 GLN 20 HE22 GLN 20 -12.165 -3.083 3.493 159 H GLN 21 HN GLN 21 -6.699 -1.721 6.457 160 HA GLN 21 HA GLN 21 -3.965 -1.610 5.586 161 1HB GLN 21 HB2 GLN 21 -3.690 -0.034 7.492 162 2HB GLN 21 HB1 GLN 21 -4.992 0.412 6.397 163 1HG GLN 21 HG2 GLN 21 -6.576 0.149 7.962 164 2HG GLN 21 HG1 GLN 21 -5.795 -1.266 8.667 165 1HE2 GLN 21 HE21 GLN 21 -6.264 2.111 8.857 166 2HE2 GLN 21 HE22 GLN 21 -5.297 2.400 10.259 167 H SER 22 HN SER 22 -5.744 -3.194 8.140 168 HA SER 22 HA SER 22 -3.491 -3.900 9.728 169 1HB SER 22 HB2 SER 22 -5.010 -5.345 10.933 170 2HB SER 22 HB1 SER 22 -5.850 -3.839 10.564 171 HG SER 22 HG SER 22 -6.743 -6.175 10.052 172 H GLU 23 HN GLU 23 -5.277 -5.508 7.141 173 HA GLU 23 HA GLU 23 -3.969 -8.004 7.334 174 1HB GLU 23 HB2 GLU 23 -6.114 -7.176 5.978 175 2HB GLU 23 HB1 GLU 23 -4.930 -7.051 4.685 176 1HG GLU 23 HG2 GLU 23 -5.652 -9.180 4.357 177 2HG GLU 23 HG1 GLU 23 -4.311 -9.483 5.461 178 H VAL 24 HN VAL 24 -3.302 -5.093 5.441 179 HA VAL 24 HA VAL 24 -1.238 -6.099 3.847 180 HB VAL 24 HB VAL 24 -1.434 -3.282 4.919 181 1HG1 VAL 24 HG11 VAL 24 -0.480 -3.048 2.415 182 2HG1 VAL 24 HG12 VAL 24 0.202 -4.613 2.857 183 3HG1 VAL 24 HG13 VAL 24 0.548 -3.191 3.841 184 1HG2 VAL 24 HG21 VAL 24 -2.471 -3.795 2.237 185 2HG2 VAL 24 HG22 VAL 24 -3.152 -2.839 3.553 186 3HG2 VAL 24 HG23 VAL 24 -3.393 -4.586 3.514 187 H THR 25 HN THR 25 -1.034 -4.363 6.953 188 HA THR 25 HA THR 25 1.766 -4.570 7.206 189 HB THR 25 HB THR 25 1.404 -3.972 9.563 190 HG1 THR 25 HG1 THR 25 -0.737 -3.764 10.313 191 1HG2 THR 25 HG21 THR 25 0.350 -1.870 9.302 192 2HG2 THR 25 HG22 THR 25 -0.544 -2.421 7.886 193 3HG2 THR 25 HG23 THR 25 1.205 -2.214 7.799 194 H ARG 26 HN ARG 26 -0.855 -6.723 8.043 195 HA ARG 26 HA ARG 26 0.492 -8.427 9.812 196 1HB ARG 26 HB2 ARG 26 -2.043 -8.291 8.846 197 2HB ARG 26 HB1 ARG 26 -1.441 -9.694 7.974 198 1HG ARG 26 HG2 ARG 26 -1.397 -10.983 9.812 199 2HG ARG 26 HG1 ARG 26 -0.845 -9.667 10.850 200 1HD ARG 26 HD2 ARG 26 -2.927 -9.153 11.494 201 2HD ARG 26 HD1 ARG 26 -3.565 -9.300 9.857 202 HE ARG 26 HE ARG 26 -4.199 -11.453 10.328 203 1HH1 ARG 26 HH11 ARG 26 -2.017 -10.338 12.813 204 2HH1 ARG 26 HH12 ARG 26 -2.287 -11.707 13.838 205 1HH2 ARG 26 HH21 ARG 26 -4.555 -13.253 11.675 206 2HH2 ARG 26 HH22 ARG 26 -3.727 -13.363 13.192 207 H ILE 27 HN ILE 27 -0.120 -8.919 6.329 208 HA ILE 27 HA ILE 27 1.536 -11.173 6.073 209 HB ILE 27 HB ILE 27 0.887 -9.190 3.891 210 1HG1 ILE 27 HG12 ILE 27 -0.736 -11.636 4.120 211 2HG1 ILE 27 HG11 ILE 27 -0.973 -10.485 5.430 212 1HG2 ILE 27 HG21 ILE 27 2.520 -10.667 3.090 213 2HG2 ILE 27 HG22 ILE 27 0.993 -11.333 2.511 214 3HG2 ILE 27 HG23 ILE 27 1.795 -12.051 3.908 215 1HD1 ILE 27 HD11 ILE 27 -2.519 -9.673 4.010 216 2HD1 ILE 27 HD12 ILE 27 -1.692 -10.291 2.580 217 3HD1 ILE 27 HD13 ILE 27 -1.127 -8.811 3.355 218 H LEU 28 HN LEU 28 2.167 -7.733 5.469 219 HA LEU 28 HA LEU 28 4.792 -8.033 4.506 220 1HB LEU 28 HB2 LEU 28 3.527 -5.703 5.950 221 2HB LEU 28 HB1 LEU 28 5.053 -5.641 5.089 222 HG LEU 28 HG LEU 28 2.520 -6.438 3.686 223 1HD1 LEU 28 HD11 LEU 28 3.547 -3.653 4.195 224 2HD1 LEU 28 HD12 LEU 28 1.983 -4.323 4.659 225 3HD1 LEU 28 HD13 LEU 28 2.359 -4.060 2.956 226 1HD2 LEU 28 HD21 LEU 28 5.056 -6.579 2.853 227 2HD2 LEU 28 HD22 LEU 28 4.707 -4.908 2.411 228 3HD2 LEU 28 HD23 LEU 28 3.711 -6.215 1.771 229 H ASP 29 HN ASP 29 3.574 -7.340 7.772 230 HA ASP 29 HA ASP 29 6.058 -7.133 9.046 231 1HB ASP 29 HB2 ASP 29 3.888 -6.447 10.049 232 2HB ASP 29 HB1 ASP 29 3.468 -8.147 10.239 233 H GLY 30 HN GLY 30 3.855 -9.938 8.884 234 1HA GLY 30 HA2 GLY 30 5.522 -11.764 10.184 235 2HA GLY 30 HA1 GLY 30 4.270 -12.191 9.026 236 H LYS 31 HN LYS 31 5.566 -10.618 6.888 237 HA LYS 31 HA LYS 31 7.301 -12.692 5.925 238 1HB LYS 31 HB2 LYS 31 6.170 -10.163 4.812 239 2HB LYS 31 HB1 LYS 31 7.565 -10.881 4.018 240 1HG LYS 31 HG2 LYS 31 6.363 -12.914 3.611 241 2HG LYS 31 HG1 LYS 31 4.992 -12.343 4.565 242 1HD LYS 31 HD2 LYS 31 4.263 -11.888 2.431 243 2HD LYS 31 HD1 LYS 31 5.025 -10.355 2.859 244 1HE LYS 31 HE2 LYS 31 5.946 -10.711 0.793 245 2HE LYS 31 HE1 LYS 31 7.151 -11.490 1.818 246 1HZ LYS 31 HZ1 LYS 31 5.527 -13.531 1.381 247 2HZ LYS 31 HZ2 LYS 31 6.825 -13.163 0.361 248 3HZ LYS 31 HZ3 LYS 31 5.260 -12.672 -0.052 249 H ARG 32 HN ARG 32 7.769 -9.908 7.788 250 HA ARG 32 HA ARG 32 9.620 -8.848 8.567 251 1HB ARG 32 HB2 ARG 32 10.685 -11.454 7.617 252 2HB ARG 32 HB1 ARG 32 11.857 -10.182 7.929 253 1HG ARG 32 HG2 ARG 32 9.787 -11.002 9.943 254 2HG ARG 32 HG1 ARG 32 11.374 -11.767 9.833 255 1HD ARG 32 HD2 ARG 32 12.015 -9.109 9.840 256 2HD ARG 32 HD1 ARG 32 10.610 -9.151 10.904 257 HE ARG 32 HE ARG 32 12.334 -11.215 11.658 258 1HH1 ARG 32 HH11 ARG 32 12.259 -7.726 11.615 259 2HH1 ARG 32 HH12 ARG 32 13.305 -7.563 12.985 260 1HH2 ARG 32 HH21 ARG 32 13.710 -11.002 13.460 261 2HH2 ARG 32 HH22 ARG 32 14.129 -9.422 14.033 262 H ILE 33 HN ILE 33 8.606 -7.869 6.225 263 HA ILE 33 HA ILE 33 10.824 -7.450 4.391 264 HB ILE 33 HB ILE 33 8.034 -6.309 4.230 265 1HG1 ILE 33 HG12 ILE 33 9.173 -8.822 2.987 266 2HG1 ILE 33 HG11 ILE 33 7.928 -8.750 4.230 267 1HG2 ILE 33 HG21 ILE 33 8.643 -6.154 1.788 268 2HG2 ILE 33 HG22 ILE 33 10.303 -6.510 2.265 269 3HG2 ILE 33 HG23 ILE 33 9.507 -5.055 2.863 270 1HD1 ILE 33 HD11 ILE 33 6.311 -8.374 2.742 271 2HD1 ILE 33 HD12 ILE 33 7.479 -8.949 1.553 272 3HD1 ILE 33 HD13 ILE 33 7.284 -7.219 1.832 273 H GLN 34 HN GLN 34 11.408 -5.297 3.722 274 HA GLN 34 HA GLN 34 11.437 -3.441 5.989 275 1HB GLN 34 HB2 GLN 34 13.132 -3.484 3.484 276 2HB GLN 34 HB1 GLN 34 13.317 -2.356 4.820 277 1HG GLN 34 HG2 GLN 34 13.379 -5.149 5.648 278 2HG GLN 34 HG1 GLN 34 14.661 -4.719 4.516 279 1HE2 GLN 34 HE21 GLN 34 13.122 -2.690 6.953 280 2HE2 GLN 34 HE22 GLN 34 14.548 -2.416 7.888 281 H TYR 35 HN TYR 35 9.033 -3.358 4.959 282 HA TYR 35 HA TYR 35 8.826 -1.438 2.809 283 1HB TYR 35 HB2 TYR 35 6.435 -1.745 3.005 284 2HB TYR 35 HB1 TYR 35 7.219 -3.320 3.055 285 HD1 TYR 35 HD1 TYR 35 7.450 -4.501 5.255 286 HD2 TYR 35 HD2 TYR 35 5.111 -0.976 4.813 287 HE1 TYR 35 HE1 TYR 35 6.296 -5.010 7.366 288 HE2 TYR 35 HE2 TYR 35 3.950 -1.474 6.923 289 HH TYR 35 HH TYR 35 5.007 -3.421 9.188 290 H GLN 36 HN GLN 36 7.476 0.507 3.041 291 HA GLN 36 HA GLN 36 8.025 1.850 5.601 292 1HB GLN 36 HB2 GLN 36 8.777 2.618 3.103 293 2HB GLN 36 HB1 GLN 36 7.247 3.469 3.251 294 1HG GLN 36 HG2 GLN 36 9.235 4.793 3.923 295 2HG GLN 36 HG1 GLN 36 8.000 4.652 5.172 296 1HE2 GLN 36 HE21 GLN 36 9.634 5.207 6.690 297 2HE2 GLN 36 HE22 GLN 36 10.759 4.020 7.243 298 H LEU 37 HN LEU 37 6.357 3.856 5.778 299 HA LEU 37 HA LEU 37 3.666 2.965 5.114 300 1HB LEU 37 HB2 LEU 37 4.467 2.213 7.456 301 2HB LEU 37 HB1 LEU 37 4.267 3.895 7.898 302 HG LEU 37 HG LEU 37 2.081 2.124 6.800 303 1HD1 LEU 37 HD11 LEU 37 2.792 1.451 9.046 304 2HD1 LEU 37 HD12 LEU 37 1.174 2.151 9.051 305 3HD1 LEU 37 HD13 LEU 37 2.548 3.104 9.612 306 1HD2 LEU 37 HD21 LEU 37 2.182 4.989 7.674 307 2HD2 LEU 37 HD22 LEU 37 0.681 4.064 7.733 308 3HD2 LEU 37 HD23 LEU 37 1.511 4.301 6.195 309 H VAL 38 HN VAL 38 3.920 4.712 3.642 310 HA VAL 38 HA VAL 38 4.258 7.382 4.661 311 HB VAL 38 HB VAL 38 3.522 8.019 2.276 312 1HG1 VAL 38 HG11 VAL 38 6.013 6.717 3.182 313 2HG1 VAL 38 HG12 VAL 38 5.750 8.324 2.503 314 3HG1 VAL 38 HG13 VAL 38 5.821 6.918 1.440 315 1HG2 VAL 38 HG21 VAL 38 2.481 5.757 1.860 316 2HG2 VAL 38 HG22 VAL 38 4.119 5.119 1.731 317 3HG2 VAL 38 HG23 VAL 38 3.559 6.347 0.597 318 H ASP 39 HN ASP 39 2.577 7.285 6.216 319 HA ASP 39 HA ASP 39 -0.168 7.085 5.370 320 1HB ASP 39 HB2 ASP 39 -0.622 7.844 7.754 321 2HB ASP 39 HB1 ASP 39 0.279 6.341 7.582 322 H ILE 40 HN ILE 40 -1.398 8.638 4.586 323 HA ILE 40 HA ILE 40 -0.388 11.309 4.302 324 HB ILE 40 HB ILE 40 -2.455 11.765 3.076 325 1HG1 ILE 40 HG12 ILE 40 -3.228 8.923 3.775 326 2HG1 ILE 40 HG11 ILE 40 -3.952 10.365 4.482 327 1HG2 ILE 40 HG21 ILE 40 -1.175 10.944 1.443 328 2HG2 ILE 40 HG22 ILE 40 -2.127 9.468 1.593 329 3HG2 ILE 40 HG23 ILE 40 -0.593 9.620 2.449 330 1HD1 ILE 40 HD11 ILE 40 -4.277 10.867 1.846 331 2HD1 ILE 40 HD12 ILE 40 -5.479 10.085 2.874 332 3HD1 ILE 40 HD13 ILE 40 -4.401 9.108 1.877 333 H SER 41 HN SER 41 -2.543 9.680 6.473 334 HA SER 41 HA SER 41 -4.093 11.830 7.369 335 1HB SER 41 HB2 SER 41 -4.043 9.197 7.954 336 2HB SER 41 HB1 SER 41 -3.244 9.832 9.393 337 HG SER 41 HG SER 41 -5.865 9.997 8.628 338 H GLN 42 HN GLN 42 -0.803 10.939 8.005 339 HA GLN 42 HA GLN 42 -0.384 12.424 10.366 340 1HB GLN 42 HB2 GLN 42 1.123 10.642 9.422 341 2HB GLN 42 HB1 GLN 42 1.651 11.810 8.221 342 1HG GLN 42 HG2 GLN 42 1.837 12.835 10.931 343 2HG GLN 42 HG1 GLN 42 2.787 11.370 10.686 344 1HE2 GLN 42 HE21 GLN 42 4.733 11.589 9.836 345 2HE2 GLN 42 HE22 GLN 42 5.323 12.983 9.003 346 H ASP 43 HN ASP 43 0.692 13.200 7.054 347 HA ASP 43 HA ASP 43 0.517 16.052 7.764 348 1HB ASP 43 HB2 ASP 43 2.729 14.758 6.916 349 2HB ASP 43 HB1 ASP 43 2.055 15.244 5.363 350 H ASN 44 HN ASN 44 -0.854 17.321 6.678 351 HA ASN 44 HA ASN 44 -2.801 16.258 4.964 352 1HB ASN 44 HB2 ASN 44 -3.504 18.577 4.608 353 2HB ASN 44 HB1 ASN 44 -3.160 18.280 6.310 354 1HD2 ASN 44 HD21 ASN 44 -1.784 19.592 3.342 355 2HD2 ASN 44 HD22 ASN 44 -0.766 20.753 4.115 356 H ALA 45 HN ALA 45 0.381 17.385 4.318 357 HA ALA 45 HA ALA 45 0.043 18.168 1.617 358 1HB ALA 45 HB1 ALA 45 2.326 17.569 3.396 359 2HB ALA 45 HB2 ALA 45 2.035 18.957 2.347 360 3HB ALA 45 HB3 ALA 45 2.620 17.441 1.662 361 H LEU 46 HN LEU 46 0.590 15.076 3.172 362 HA LEU 46 HA LEU 46 1.243 13.662 0.786 363 1HB LEU 46 HB2 LEU 46 0.494 12.902 3.576 364 2HB LEU 46 HB1 LEU 46 0.457 11.675 2.324 365 HG LEU 46 HG LEU 46 2.930 13.311 2.591 366 1HD1 LEU 46 HD11 LEU 46 3.677 12.389 4.514 367 2HD1 LEU 46 HD12 LEU 46 2.774 10.893 4.279 368 3HD1 LEU 46 HD13 LEU 46 1.953 12.333 4.881 369 1HD2 LEU 46 HD21 LEU 46 2.928 10.373 2.289 370 2HD2 LEU 46 HD22 LEU 46 3.902 11.599 1.478 371 3HD2 LEU 46 HD23 LEU 46 2.244 11.302 0.955 372 H ARG 47 HN ARG 47 -1.709 14.536 2.414 373 HA ARG 47 HA ARG 47 -3.432 12.708 1.110 374 1HB ARG 47 HB2 ARG 47 -3.673 14.907 2.958 375 2HB ARG 47 HB1 ARG 47 -4.905 15.035 1.710 376 1HG ARG 47 HG2 ARG 47 -5.908 13.042 2.309 377 2HG ARG 47 HG1 ARG 47 -4.456 12.433 3.105 378 1HD ARG 47 HD2 ARG 47 -5.003 13.374 5.059 379 2HD ARG 47 HD1 ARG 47 -5.471 14.892 4.296 380 HE ARG 47 HE ARG 47 -7.202 12.769 5.105 381 1HH1 ARG 47 HH11 ARG 47 -6.812 15.351 2.790 382 2HH1 ARG 47 HH12 ARG 47 -8.513 15.527 2.513 383 1HH2 ARG 47 HH21 ARG 47 -9.438 12.999 4.741 384 2HH2 ARG 47 HH22 ARG 47 -10.004 14.192 3.620 385 H ASP 48 HN ASP 48 -2.595 16.104 0.440 386 HA ASP 48 HA ASP 48 -4.095 16.041 -2.023 387 1HB ASP 48 HB2 ASP 48 -3.526 18.059 -0.297 388 2HB ASP 48 HB1 ASP 48 -2.310 18.330 -1.541 389 H GLU 49 HN GLU 49 -1.249 14.856 -1.190 390 HA GLU 49 HA GLU 49 0.120 15.525 -3.694 391 1HB GLU 49 HB2 GLU 49 1.492 15.792 -1.717 392 2HB GLU 49 HB1 GLU 49 1.114 14.159 -1.186 393 1HG GLU 49 HG2 GLU 49 3.310 14.148 -2.093 394 2HG GLU 49 HG1 GLU 49 2.255 13.304 -3.226 395 H MET 50 HN MET 50 -1.362 12.924 -1.917 396 HA MET 50 HA MET 50 -0.473 10.870 -3.745 397 1HB MET 50 HB2 MET 50 -0.802 10.337 -1.382 398 2HB MET 50 HB1 MET 50 -2.495 10.797 -1.497 399 1HG MET 50 HG2 MET 50 -2.568 8.494 -1.603 400 2HG MET 50 HG1 MET 50 -2.650 8.970 -3.298 401 1HE MET 50 HE1 MET 50 -1.004 9.032 -4.837 402 2HE MET 50 HE2 MET 50 0.031 7.621 -5.053 403 3HE MET 50 HE3 MET 50 0.702 9.114 -4.397 404 H ARG 51 HN ARG 51 -3.507 12.549 -3.000 405 HA ARG 51 HA ARG 51 -5.173 11.184 -4.773 406 1HB ARG 51 HB2 ARG 51 -5.242 13.734 -3.315 407 2HB ARG 51 HB1 ARG 51 -6.199 13.726 -4.790 408 1HG ARG 51 HG2 ARG 51 -7.752 13.001 -3.290 409 2HG ARG 51 HG1 ARG 51 -7.088 11.454 -3.822 410 1HD ARG 51 HD2 ARG 51 -5.655 11.359 -1.878 411 2HD ARG 51 HD1 ARG 51 -6.185 12.963 -1.372 412 HE ARG 51 HE ARG 51 -7.519 10.498 -0.896 413 1HH1 ARG 51 HH11 ARG 51 -8.088 13.882 -1.533 414 2HH1 ARG 51 HH12 ARG 51 -9.628 13.901 -0.740 415 1HH2 ARG 51 HH21 ARG 51 -9.544 10.521 0.146 416 2HH2 ARG 51 HH22 ARG 51 -10.454 11.993 0.213 417 H ALA 52 HN ALA 52 -2.826 13.702 -5.332 418 HA ALA 52 HA ALA 52 -3.744 14.306 -7.994 419 1HB ALA 52 HB1 ALA 52 -0.998 15.047 -7.197 420 2HB ALA 52 HB2 ALA 52 -2.308 15.719 -6.227 421 3HB ALA 52 HB3 ALA 52 -2.258 16.011 -7.966 422 H LEU 53 HN LEU 53 -0.826 12.745 -6.660 423 HA LEU 53 HA LEU 53 0.165 11.897 -9.169 424 1HB LEU 53 HB2 LEU 53 0.722 11.023 -6.344 425 2HB LEU 53 HB1 LEU 53 1.526 10.289 -7.719 426 HG LEU 53 HG LEU 53 1.675 13.199 -6.928 427 1HD1 LEU 53 HD11 LEU 53 2.932 11.231 -5.668 428 2HD1 LEU 53 HD12 LEU 53 3.699 12.788 -5.980 429 3HD1 LEU 53 HD13 LEU 53 4.038 11.412 -7.030 430 1HD2 LEU 53 HD21 LEU 53 2.927 11.687 -9.214 431 2HD2 LEU 53 HD22 LEU 53 3.427 13.297 -8.696 432 3HD2 LEU 53 HD23 LEU 53 1.796 13.036 -9.314 433 H ALA 54 HN ALA 54 -2.114 10.525 -6.922 434 HA ALA 54 HA ALA 54 -2.062 7.887 -8.041 435 1HB ALA 54 HB1 ALA 54 -4.246 9.071 -6.346 436 2HB ALA 54 HB2 ALA 54 -2.730 8.461 -5.682 437 3HB ALA 54 HB3 ALA 54 -3.819 7.371 -6.540 438 H GLY 55 HN GLY 55 -3.586 10.844 -8.890 439 1HA GLY 55 HA2 GLY 55 -5.016 11.382 -10.604 440 2HA GLY 55 HA1 GLY 55 -4.658 9.799 -11.278 441 H ASN 56 HN ASN 56 -6.217 10.690 -8.218 442 HA ASN 56 HA ASN 56 -8.861 10.256 -8.963 443 1HB ASN 56 HB2 ASN 56 -9.087 7.978 -7.698 444 2HB ASN 56 HB1 ASN 56 -8.598 7.982 -9.388 445 1HD2 ASN 56 HD21 ASN 56 -7.108 8.248 -6.178 446 2HD2 ASN 56 HD22 ASN 56 -5.789 7.185 -6.516 447 HA PRO 57 HA PRO 57 -8.734 11.937 -4.881 448 1HB PRO 57 HB2 PRO 57 -11.124 13.321 -5.449 449 2HB PRO 57 HB1 PRO 57 -9.486 13.953 -5.528 450 1HG PRO 57 HG2 PRO 57 -11.207 13.613 -7.682 451 2HG PRO 57 HG1 PRO 57 -9.451 13.825 -7.784 452 1HD PRO 57 HD2 PRO 57 -11.071 11.323 -7.897 453 2HD PRO 57 HD1 PRO 57 -9.596 11.764 -8.787 454 H LYS 58 HN LYS 58 -10.132 9.354 -5.681 455 HA LYS 58 HA LYS 58 -12.074 9.370 -3.481 456 1HB LYS 58 HB2 LYS 58 -12.474 8.513 -6.297 457 2HB LYS 58 HB1 LYS 58 -13.185 7.499 -5.048 458 1HG LYS 58 HG2 LYS 58 -13.936 10.005 -4.253 459 2HG LYS 58 HG1 LYS 58 -13.985 10.134 -6.013 460 1HD LYS 58 HD2 LYS 58 -15.203 7.736 -4.740 461 2HD LYS 58 HD1 LYS 58 -16.065 9.271 -4.623 462 1HE LYS 58 HE2 LYS 58 -15.180 8.997 -7.297 463 2HE LYS 58 HE1 LYS 58 -15.908 7.462 -6.825 464 1HZ LYS 58 HZ1 LYS 58 -17.336 9.451 -7.759 465 2HZ LYS 58 HZ2 LYS 58 -17.348 9.908 -6.131 466 3HZ LYS 58 HZ3 LYS 58 -17.947 8.393 -6.588 467 H ALA 59 HN ALA 59 -9.202 8.268 -4.413 468 HA ALA 59 HA ALA 59 -9.262 5.490 -4.154 469 1HB ALA 59 HB1 ALA 59 -7.120 5.791 -4.644 470 2HB ALA 59 HB2 ALA 59 -6.839 6.446 -3.031 471 3HB ALA 59 HB3 ALA 59 -7.287 7.522 -4.354 472 H THR 60 HN THR 60 -7.514 4.822 -2.123 473 HA THR 60 HA THR 60 -8.737 5.681 0.382 474 HB THR 60 HB THR 60 -8.876 3.183 1.026 475 HG1 THR 60 HG1 THR 60 -8.366 1.863 -0.500 476 1HG2 THR 60 HG21 THR 60 -11.110 2.901 0.100 477 2HG2 THR 60 HG22 THR 60 -10.833 4.261 -0.988 478 3HG2 THR 60 HG23 THR 60 -10.881 4.522 0.756 479 HA PRO 61 HA PRO 61 -4.874 5.516 2.450 480 1HB PRO 61 HB2 PRO 61 -5.488 3.129 3.999 481 2HB PRO 61 HB1 PRO 61 -5.274 4.790 4.548 482 1HG PRO 61 HG2 PRO 61 -7.737 3.333 4.035 483 2HG PRO 61 HG1 PRO 61 -7.512 4.896 4.833 484 1HD PRO 61 HD2 PRO 61 -8.702 4.588 2.388 485 2HD PRO 61 HD1 PRO 61 -7.864 6.068 2.898 486 HA PRO 62 HA PRO 62 -3.453 0.939 1.459 487 1HB PRO 62 HB2 PRO 62 -5.676 0.042 -0.278 488 2HB PRO 62 HB1 PRO 62 -4.800 -0.842 0.975 489 1HG PRO 62 HG2 PRO 62 -7.305 -0.004 1.370 490 2HG PRO 62 HG1 PRO 62 -6.109 0.008 2.679 491 1HD PRO 62 HD2 PRO 62 -7.121 2.278 1.013 492 2HD PRO 62 HD1 PRO 62 -6.748 2.229 2.747 493 H GLN 63 HN GLN 63 -2.012 2.172 0.229 494 HA GLN 63 HA GLN 63 -2.339 1.880 -2.638 495 1HB GLN 63 HB2 GLN 63 -2.103 4.562 -1.286 496 2HB GLN 63 HB1 GLN 63 -1.632 4.317 -2.962 497 1HG GLN 63 HG2 GLN 63 -4.372 3.778 -1.839 498 2HG GLN 63 HG1 GLN 63 -3.901 5.231 -2.720 499 1HE2 GLN 63 HE21 GLN 63 -5.933 3.245 -3.360 500 2HE2 GLN 63 HE22 GLN 63 -5.525 2.624 -4.919 501 H ILE 64 HN ILE 64 -0.567 0.645 -2.895 502 HA ILE 64 HA ILE 64 1.904 1.255 -1.528 503 HB ILE 64 HB ILE 64 1.455 -0.811 -3.680 504 1HG1 ILE 64 HG12 ILE 64 1.339 -1.271 -0.699 505 2HG1 ILE 64 HG11 ILE 64 -0.101 -0.971 -1.668 506 1HG2 ILE 64 HG21 ILE 64 3.600 -0.347 -1.632 507 2HG2 ILE 64 HG22 ILE 64 3.761 -0.518 -3.380 508 3HG2 ILE 64 HG23 ILE 64 3.357 -1.921 -2.390 509 1HD1 ILE 64 HD11 ILE 64 1.785 -3.299 -1.823 510 2HD1 ILE 64 HD12 ILE 64 0.589 -2.948 -3.072 511 3HD1 ILE 64 HD13 ILE 64 0.067 -3.303 -1.425 512 H VAL 65 HN VAL 65 3.704 2.163 -2.363 513 HA VAL 65 HA VAL 65 3.729 2.846 -5.221 514 HB VAL 65 HB VAL 65 4.443 4.756 -2.990 515 1HG1 VAL 65 HG11 VAL 65 4.158 5.881 -5.647 516 2HG1 VAL 65 HG12 VAL 65 5.447 4.682 -5.567 517 3HG1 VAL 65 HG13 VAL 65 5.463 6.066 -4.475 518 1HG2 VAL 65 HG21 VAL 65 2.524 6.075 -3.867 519 2HG2 VAL 65 HG22 VAL 65 2.058 4.539 -3.138 520 3HG2 VAL 65 HG23 VAL 65 2.107 4.703 -4.894 521 H ASN 66 HN ASN 66 5.674 2.672 -6.203 522 HA ASN 66 HA ASN 66 8.014 2.079 -4.517 523 1HB ASN 66 HB2 ASN 66 6.695 0.296 -6.256 524 2HB ASN 66 HB1 ASN 66 8.183 0.756 -7.076 525 1HD2 ASN 66 HD21 ASN 66 9.785 1.160 -4.804 526 2HD2 ASN 66 HD22 ASN 66 10.074 -0.378 -4.071 527 H GLY 67 HN GLY 67 9.667 3.405 -4.876 528 1HA GLY 67 HA2 GLY 67 11.074 4.901 -5.904 529 2HA GLY 67 HA1 GLY 67 10.608 4.147 -7.422 530 H ASP 68 HN ASP 68 8.239 5.605 -5.328 531 HA ASP 68 HA ASP 68 6.963 7.483 -5.488 532 1HB ASP 68 HB2 ASP 68 9.460 8.390 -6.168 533 2HB ASP 68 HB1 ASP 68 8.515 8.839 -7.584 534 H GLN 69 HN GLN 69 6.515 5.192 -7.149 535 HA GLN 69 HA GLN 69 5.185 6.486 -9.430 536 1HB GLN 69 HB2 GLN 69 6.869 4.051 -9.291 537 2HB GLN 69 HB1 GLN 69 5.445 3.963 -10.310 538 1HG GLN 69 HG2 GLN 69 6.258 6.095 -11.400 539 2HG GLN 69 HG1 GLN 69 7.775 5.836 -10.539 540 1HE2 GLN 69 HE21 GLN 69 5.485 4.025 -12.560 541 2HE2 GLN 69 HE22 GLN 69 6.689 3.212 -13.494 542 H TYR 70 HN TYR 70 3.201 5.460 -10.122 543 HA TYR 70 HA TYR 70 1.627 4.595 -7.871 544 1HB TYR 70 HB2 TYR 70 0.834 6.152 -9.718 545 2HB TYR 70 HB1 TYR 70 0.737 4.730 -10.749 546 HD1 TYR 70 HD1 TYR 70 -1.480 4.185 -11.093 547 HD2 TYR 70 HD2 TYR 70 -0.236 5.342 -7.192 548 HE1 TYR 70 HE1 TYR 70 -3.738 3.719 -10.241 549 HE2 TYR 70 HE2 TYR 70 -2.491 4.878 -6.329 550 HH TYR 70 HH TYR 70 -4.547 3.115 -7.405 551 H CYS 71 HN CYS 71 2.226 2.570 -7.247 552 HA CYS 71 HA CYS 71 2.579 0.440 -9.150 553 1HB CYS 71 HB2 CYS 71 3.628 0.824 -6.732 554 2HB CYS 71 HB1 CYS 71 2.228 -0.127 -6.247 555 HG CYS 71 HG CYS 71 4.359 -1.230 -8.231 556 H GLY 72 HN GLY 72 0.338 0.812 -6.382 557 1HA GLY 72 HA2 GLY 72 -1.994 0.249 -7.823 558 2HA GLY 72 HA1 GLY 72 -1.375 -1.273 -7.206 559 H ASP 73 HN ASP 73 -2.797 -1.782 -5.652 560 HA ASP 73 HA ASP 73 -2.790 -0.214 -3.237 561 1HB ASP 73 HB2 ASP 73 -5.201 0.130 -3.117 562 2HB ASP 73 HB1 ASP 73 -4.559 0.896 -4.565 563 H TYR 74 HN TYR 74 -4.991 -1.370 -1.977 564 HA TYR 74 HA TYR 74 -3.985 -3.763 -1.034 565 1HB TYR 74 HB2 TYR 74 -5.663 -2.441 0.164 566 2HB TYR 74 HB1 TYR 74 -6.867 -2.846 -1.055 567 HD1 TYR 74 HD1 TYR 74 -8.097 -4.858 -0.923 568 HD2 TYR 74 HD2 TYR 74 -4.727 -4.281 1.609 569 HE1 TYR 74 HE1 TYR 74 -8.722 -6.863 0.357 570 HE2 TYR 74 HE2 TYR 74 -5.342 -6.285 2.895 571 HH TYR 74 HH TYR 74 -7.607 -7.570 3.329 572 H GLU 75 HN GLU 75 -6.691 -3.342 -3.326 573 HA GLU 75 HA GLU 75 -7.293 -5.973 -3.809 574 1HB GLU 75 HB2 GLU 75 -8.124 -3.572 -4.773 575 2HB GLU 75 HB1 GLU 75 -7.315 -4.234 -6.183 576 1HG GLU 75 HG2 GLU 75 -8.989 -6.216 -4.950 577 2HG GLU 75 HG1 GLU 75 -9.904 -4.752 -5.301 578 H LEU 76 HN LEU 76 -5.175 -3.985 -5.888 579 HA LEU 76 HA LEU 76 -4.266 -5.981 -7.559 580 1HB LEU 76 HB2 LEU 76 -2.771 -3.563 -6.547 581 2HB LEU 76 HB1 LEU 76 -2.255 -4.554 -7.899 582 HG LEU 76 HG LEU 76 -4.718 -3.941 -8.756 583 1HD1 LEU 76 HD11 LEU 76 -4.452 -2.313 -6.493 584 2HD1 LEU 76 HD12 LEU 76 -5.692 -2.226 -7.742 585 3HD1 LEU 76 HD13 LEU 76 -4.231 -1.250 -7.882 586 1HD2 LEU 76 HD21 LEU 76 -2.051 -2.722 -9.090 587 2HD2 LEU 76 HD22 LEU 76 -3.420 -1.791 -9.700 588 3HD2 LEU 76 HD23 LEU 76 -3.137 -3.430 -10.286 589 H PHE 77 HN PHE 77 -2.492 -4.733 -4.726 590 HA PHE 77 HA PHE 77 -0.412 -6.511 -4.668 591 1HB PHE 77 HB2 PHE 77 -0.402 -4.691 -3.140 592 2HB PHE 77 HB1 PHE 77 -1.922 -5.197 -2.411 593 HD1 PHE 77 HD1 PHE 77 -1.975 -7.164 -0.917 594 HD2 PHE 77 HD2 PHE 77 1.678 -5.590 -2.429 595 HE1 PHE 77 HE1 PHE 77 -0.733 -8.393 0.815 596 HE2 PHE 77 HE2 PHE 77 2.926 -6.817 -0.701 597 HZ PHE 77 HZ PHE 77 1.721 -8.221 0.924 598 H VAL 78 HN VAL 78 -3.539 -6.924 -2.999 599 HA VAL 78 HA VAL 78 -3.007 -9.517 -2.031 600 HB VAL 78 HB VAL 78 -5.715 -8.328 -2.656 601 1HG1 VAL 78 HG11 VAL 78 -6.311 -10.444 -2.145 602 2HG1 VAL 78 HG12 VAL 78 -6.083 -9.881 -0.489 603 3HG1 VAL 78 HG13 VAL 78 -4.801 -10.781 -1.299 604 1HG2 VAL 78 HG21 VAL 78 -4.601 -8.305 0.091 605 2HG2 VAL 78 HG22 VAL 78 -5.686 -7.163 -0.703 606 3HG2 VAL 78 HG23 VAL 78 -3.958 -7.129 -1.054 607 H GLU 79 HN GLU 79 -4.253 -8.332 -5.078 608 HA GLU 79 HA GLU 79 -5.130 -10.904 -6.003 609 1HB GLU 79 HB2 GLU 79 -6.108 -8.749 -6.789 610 2HB GLU 79 HB1 GLU 79 -4.595 -8.409 -7.618 611 1HG GLU 79 HG2 GLU 79 -5.330 -10.962 -8.465 612 2HG GLU 79 HG1 GLU 79 -6.824 -10.026 -8.452 613 H ALA 80 HN ALA 80 -2.102 -9.638 -5.531 614 HA ALA 80 HA ALA 80 -0.908 -10.899 -7.878 615 1HB ALA 80 HB1 ALA 80 1.077 -9.745 -7.358 616 2HB ALA 80 HB2 ALA 80 0.561 -9.442 -5.699 617 3HB ALA 80 HB3 ALA 80 -0.227 -8.603 -7.034 618 H VAL 81 HN VAL 81 -0.520 -10.993 -4.329 619 HA VAL 81 HA VAL 81 1.271 -13.097 -4.155 620 HB VAL 81 HB VAL 81 -1.002 -12.622 -2.223 621 1HG1 VAL 81 HG11 VAL 81 0.399 -14.719 -2.019 622 2HG1 VAL 81 HG12 VAL 81 0.338 -13.683 -0.594 623 3HG1 VAL 81 HG13 VAL 81 1.759 -13.662 -1.639 624 1HG2 VAL 81 HG21 VAL 81 0.786 -10.711 -2.979 625 2HG2 VAL 81 HG22 VAL 81 1.613 -11.449 -1.609 626 3HG2 VAL 81 HG23 VAL 81 -0.006 -10.783 -1.407 627 H GLU 82 HN GLU 82 -2.156 -13.149 -4.748 628 HA GLU 82 HA GLU 82 -2.765 -15.801 -4.158 629 1HB GLU 82 HB2 GLU 82 -4.538 -15.450 -6.018 630 2HB GLU 82 HB1 GLU 82 -4.611 -14.460 -4.566 631 1HG GLU 82 HG2 GLU 82 -4.380 -12.597 -5.734 632 2HG GLU 82 HG1 GLU 82 -2.955 -13.214 -6.568 633 H GLN 83 HN GLN 83 -1.666 -14.401 -7.246 634 HA GLN 83 HA GLN 83 -1.360 -17.110 -8.322 635 1HB GLN 83 HB2 GLN 83 -2.394 -14.849 -9.462 636 2HB GLN 83 HB1 GLN 83 -0.747 -14.829 -10.075 637 1HG GLN 83 HG2 GLN 83 -1.183 -17.282 -10.715 638 2HG GLN 83 HG1 GLN 83 -2.885 -16.877 -10.493 639 1HE2 GLN 83 HE21 GLN 83 -1.753 -17.701 -12.923 640 2HE2 GLN 83 HE22 GLN 83 -1.870 -16.394 -14.047 641 H ASN 84 HN ASN 84 0.434 -15.264 -6.479 642 HA ASN 84 HA ASN 84 2.633 -15.270 -5.965 643 1HB ASN 84 HB2 ASN 84 3.210 -16.814 -8.493 644 2HB ASN 84 HB1 ASN 84 4.175 -16.743 -7.023 645 1HD2 ASN 84 HD21 ASN 84 3.353 -19.112 -8.271 646 2HD2 ASN 84 HD22 ASN 84 2.282 -19.945 -7.202 647 H THR 85 HN THR 85 1.181 -13.474 -7.903 648 HA THR 85 HA THR 85 3.264 -12.482 -9.623 649 HB THR 85 HB THR 85 0.857 -10.831 -9.122 650 HG1 THR 85 HG1 THR 85 -0.467 -12.414 -9.397 651 1HG2 THR 85 HG21 THR 85 0.772 -10.876 -11.617 652 2HG2 THR 85 HG22 THR 85 2.275 -11.796 -11.586 653 3HG2 THR 85 HG23 THR 85 2.229 -10.160 -10.930 654 H LEU 86 HN LEU 86 2.174 -11.972 -6.421 655 HA LEU 86 HA LEU 86 2.511 -9.459 -5.663 656 1HB LEU 86 HB2 LEU 86 2.247 -11.300 -4.094 657 2HB LEU 86 HB1 LEU 86 3.903 -11.801 -4.375 658 HG LEU 86 HG LEU 86 4.623 -9.556 -3.476 659 1HD1 LEU 86 HD11 LEU 86 2.010 -8.876 -3.721 660 2HD1 LEU 86 HD12 LEU 86 3.169 -8.043 -2.685 661 3HD1 LEU 86 HD13 LEU 86 2.103 -9.272 -2.004 662 1HD2 LEU 86 HD21 LEU 86 3.644 -10.366 -1.061 663 2HD2 LEU 86 HD22 LEU 86 5.077 -11.026 -1.848 664 3HD2 LEU 86 HD23 LEU 86 3.523 -11.842 -2.019 665 H GLN 87 HN GLN 87 5.262 -11.538 -6.536 666 HA GLN 87 HA GLN 87 7.322 -9.777 -5.901 667 1HB GLN 87 HB2 GLN 87 7.898 -12.011 -6.484 668 2HB GLN 87 HB1 GLN 87 7.110 -11.881 -8.051 669 1HG GLN 87 HG2 GLN 87 8.803 -10.443 -8.883 670 2HG GLN 87 HG1 GLN 87 9.502 -10.233 -7.279 671 1HE2 GLN 87 HE21 GLN 87 11.074 -11.564 -6.655 672 2HE2 GLN 87 HE22 GLN 87 11.582 -12.978 -7.506 673 H GLU 88 HN GLU 88 5.775 -10.242 -9.082 674 HA GLU 88 HA GLU 88 7.032 -8.292 -10.531 675 1HB GLU 88 HB2 GLU 88 5.022 -9.963 -11.072 676 2HB GLU 88 HB1 GLU 88 4.082 -8.491 -10.867 677 1HG GLU 88 HG2 GLU 88 6.442 -8.179 -12.566 678 2HG GLU 88 HG1 GLU 88 5.240 -9.309 -13.187 679 H PHE 89 HN PHE 89 4.768 -7.875 -7.951 680 HA PHE 89 HA PHE 89 4.475 -5.023 -8.536 681 1HB PHE 89 HB2 PHE 89 2.455 -6.420 -8.023 682 2HB PHE 89 HB1 PHE 89 3.098 -6.666 -6.404 683 HD1 PHE 89 HD1 PHE 89 3.590 -4.534 -5.026 684 HD2 PHE 89 HD2 PHE 89 1.074 -4.628 -8.457 685 HE1 PHE 89 HE1 PHE 89 2.499 -2.460 -4.278 686 HE2 PHE 89 HE2 PHE 89 -0.019 -2.555 -7.716 687 HZ PHE 89 HZ PHE 89 0.692 -1.466 -5.624 688 H LEU 90 HN LEU 90 6.044 -7.229 -6.372 689 HA LEU 90 HA LEU 90 6.739 -5.063 -4.529 690 1HB LEU 90 HB2 LEU 90 6.677 -8.026 -4.353 691 2HB LEU 90 HB1 LEU 90 7.864 -7.186 -3.375 692 HG LEU 90 HG LEU 90 4.871 -6.811 -3.275 693 1HD1 LEU 90 HD11 LEU 90 4.866 -8.005 -1.322 694 2HD1 LEU 90 HD12 LEU 90 6.562 -7.666 -0.979 695 3HD1 LEU 90 HD13 LEU 90 6.131 -8.852 -2.212 696 1HD2 LEU 90 HD21 LEU 90 5.765 -5.494 -1.128 697 2HD2 LEU 90 HD22 LEU 90 5.486 -4.712 -2.684 698 3HD2 LEU 90 HD23 LEU 90 7.117 -5.200 -2.223 699 H LYS 91 HN LYS 91 8.528 -7.852 -5.876 700 HA LYS 91 HA LYS 91 10.955 -6.220 -5.843 701 1HB LYS 91 HB2 LYS 91 10.969 -9.109 -6.596 702 2HB LYS 91 HB1 LYS 91 12.185 -8.171 -5.741 703 1HG LYS 91 HG2 LYS 91 10.364 -8.046 -3.876 704 2HG LYS 91 HG1 LYS 91 9.708 -9.461 -4.702 705 1HD LYS 91 HD2 LYS 91 11.114 -10.543 -3.287 706 2HD LYS 91 HD1 LYS 91 12.276 -10.198 -4.570 707 1HE LYS 91 HE2 LYS 91 13.088 -8.270 -3.399 708 2HE LYS 91 HE1 LYS 91 11.816 -8.412 -2.187 709 1HZ LYS 91 HZ1 LYS 91 13.871 -10.502 -2.640 710 2HZ LYS 91 HZ2 LYS 91 12.783 -10.389 -1.349 711 3HZ LYS 91 HZ3 LYS 91 14.039 -9.266 -1.495 712 H LEU 92 HN LEU 92 8.576 -6.859 -8.026 713 HA LEU 92 HA LEU 92 8.413 -6.889 -10.303 714 1HB LEU 92 HB2 LEU 92 10.908 -5.229 -10.362 715 2HB LEU 92 HB1 LEU 92 9.493 -5.119 -11.388 716 HG LEU 92 HG LEU 92 9.379 -3.220 -10.026 717 1HD1 LEU 92 HD11 LEU 92 7.642 -5.389 -8.880 718 2HD1 LEU 92 HD12 LEU 92 7.226 -4.183 -10.097 719 3HD1 LEU 92 HD13 LEU 92 7.489 -3.692 -8.424 720 1HD2 LEU 92 HD21 LEU 92 10.079 -3.028 -7.868 721 2HD2 LEU 92 HD22 LEU 92 11.084 -4.386 -8.376 722 3HD2 LEU 92 HD23 LEU 92 9.610 -4.677 -7.453 723 H ALA 93 HN ALA 93 10.101 -8.989 -9.094 724 HA ALA 93 HA ALA 93 12.097 -9.451 -11.184 725 1HB ALA 93 HB1 ALA 93 13.292 -10.297 -9.517 726 2HB ALA 93 HB2 ALA 93 12.094 -11.576 -9.320 727 3HB ALA 93 HB3 ALA 93 11.941 -10.076 -8.406 728 H LEU 94 HN LEU 94 9.289 -9.623 -11.818 729 HA LEU 94 HA LEU 94 9.117 -12.486 -12.492 730 1HB LEU 94 HB2 LEU 94 7.352 -11.139 -10.906 731 2HB LEU 94 HB1 LEU 94 6.601 -10.961 -12.481 732 HG LEU 94 HG LEU 94 7.430 -13.638 -11.374 733 1HD1 LEU 94 HD11 LEU 94 4.639 -12.536 -11.304 734 2HD1 LEU 94 HD12 LEU 94 5.747 -12.373 -9.942 735 3HD1 LEU 94 HD13 LEU 94 5.277 -13.975 -10.510 736 1HD2 LEU 94 HD21 LEU 94 7.098 -13.974 -13.612 737 2HD2 LEU 94 HD22 LEU 94 5.925 -12.665 -13.749 738 3HD2 LEU 94 HD23 LEU 94 5.453 -14.199 -13.018 739 H GLU 95 HN GLU 95 10.396 -10.380 -14.008 740 HA GLU 95 HA GLU 95 8.657 -9.621 -16.156 741 1HB GLU 95 HB2 GLU 95 10.753 -8.833 -17.238 742 2HB GLU 95 HB1 GLU 95 10.521 -8.192 -15.617 743 1HG GLU 95 HG2 GLU 95 12.189 -9.558 -14.714 744 2HG GLU 95 HG1 GLU 95 12.199 -10.623 -16.119 Start of MODEL 7 1 1H MET 1 HT1 MET 1 18.568 3.606 -3.584 2 2H MET 1 HT2 MET 1 17.492 4.520 -2.608 3 3H MET 1 HT3 MET 1 18.917 5.247 -3.230 4 HA MET 1 HA MET 1 17.259 6.035 -4.566 5 1HB MET 1 HB2 MET 1 17.770 5.023 -6.724 6 2HB MET 1 HB1 MET 1 19.228 5.132 -5.747 7 1HG MET 1 HG2 MET 1 19.223 2.820 -5.300 8 2HG MET 1 HG1 MET 1 17.578 2.631 -5.904 9 1HE MET 1 HE1 MET 1 20.435 1.402 -6.202 10 2HE MET 1 HE2 MET 1 21.424 2.052 -7.510 11 3HE MET 1 HE3 MET 1 20.333 0.700 -7.816 12 H SER 2 HN SER 2 16.809 2.662 -3.763 13 HA SER 2 HA SER 2 14.090 2.749 -4.878 14 1HB SER 2 HB2 SER 2 16.055 0.559 -4.414 15 2HB SER 2 HB1 SER 2 14.344 0.166 -4.248 16 HG SER 2 HG SER 2 15.378 1.519 -6.506 17 H GLY 3 HN GLY 3 12.307 2.244 -3.617 18 1HA GLY 3 HA2 GLY 3 12.623 1.500 -0.844 19 2HA GLY 3 HA1 GLY 3 12.098 3.160 -1.079 20 H LEU 4 HN LEU 4 10.365 1.880 0.305 21 HA LEU 4 HA LEU 4 8.183 1.309 -1.563 22 1HB LEU 4 HB2 LEU 4 9.101 -0.451 0.694 23 2HB LEU 4 HB1 LEU 4 7.447 -0.500 0.115 24 HG LEU 4 HG LEU 4 9.702 -0.861 -1.820 25 1HD1 LEU 4 HD11 LEU 4 10.412 -2.570 -0.523 26 2HD1 LEU 4 HD12 LEU 4 9.067 -3.406 -1.299 27 3HD1 LEU 4 HD13 LEU 4 8.868 -2.724 0.315 28 1HD2 LEU 4 HD21 LEU 4 7.144 -2.362 -1.890 29 2HD2 LEU 4 HD22 LEU 4 8.112 -1.707 -3.210 30 3HD2 LEU 4 HD23 LEU 4 7.092 -0.636 -2.250 31 H ARG 5 HN ARG 5 7.022 3.111 -1.143 32 HA ARG 5 HA ARG 5 6.540 3.884 1.633 33 1HB ARG 5 HB2 ARG 5 5.463 5.379 -0.731 34 2HB ARG 5 HB1 ARG 5 5.911 5.988 0.855 35 1HG ARG 5 HG2 ARG 5 8.261 4.937 -0.251 36 2HG ARG 5 HG1 ARG 5 7.470 5.837 -1.546 37 1HD ARG 5 HD2 ARG 5 7.846 7.819 -0.559 38 2HD ARG 5 HD1 ARG 5 7.468 7.200 1.048 39 HE ARG 5 HE ARG 5 9.982 6.253 0.073 40 1HH1 ARG 5 HH11 ARG 5 8.393 8.954 1.607 41 2HH1 ARG 5 HH12 ARG 5 9.836 9.529 2.373 42 1HH2 ARG 5 HH21 ARG 5 11.881 7.007 1.079 43 2HH2 ARG 5 HH22 ARG 5 11.817 8.424 2.073 44 H VAL 6 HN VAL 6 5.081 2.352 2.346 45 HA VAL 6 HA VAL 6 2.634 1.882 0.856 46 HB VAL 6 HB VAL 6 3.359 0.853 3.600 47 1HG1 VAL 6 HG11 VAL 6 1.625 -0.672 1.764 48 2HG1 VAL 6 HG12 VAL 6 0.942 0.813 2.427 49 3HG1 VAL 6 HG13 VAL 6 1.518 -0.454 3.511 50 1HG2 VAL 6 HG21 VAL 6 4.143 -1.171 2.509 51 2HG2 VAL 6 HG22 VAL 6 5.065 0.224 1.946 52 3HG2 VAL 6 HG23 VAL 6 3.804 -0.471 0.926 53 H TYR 7 HN TYR 7 0.996 3.262 1.008 54 HA TYR 7 HA TYR 7 0.803 5.122 3.194 55 1HB TYR 7 HB2 TYR 7 -0.804 4.655 0.695 56 2HB TYR 7 HB1 TYR 7 -1.360 5.768 1.940 57 HD1 TYR 7 HD1 TYR 7 -0.082 7.819 2.431 58 HD2 TYR 7 HD2 TYR 7 1.026 5.220 -0.750 59 HE1 TYR 7 HE1 TYR 7 1.320 9.598 1.474 60 HE2 TYR 7 HE2 TYR 7 2.431 6.991 -1.715 61 HH TYR 7 HH TYR 7 3.603 9.033 -0.953 62 H SER 8 HN SER 8 -0.807 5.282 4.723 63 HA SER 8 HA SER 8 -2.890 3.280 4.871 64 1HB SER 8 HB2 SER 8 -1.088 3.428 7.264 65 2HB SER 8 HB1 SER 8 -2.198 2.146 6.782 66 HG SER 8 HG SER 8 -0.752 1.658 5.070 67 H THR 9 HN THR 9 -4.049 3.571 7.128 68 HA THR 9 HA THR 9 -4.167 6.453 7.725 69 HB THR 9 HB THR 9 -6.080 5.883 6.346 70 HG1 THR 9 HG1 THR 9 -6.907 6.080 9.048 71 1HG2 THR 9 HG21 THR 9 -7.273 4.021 6.470 72 2HG2 THR 9 HG22 THR 9 -7.470 4.171 8.216 73 3HG2 THR 9 HG23 THR 9 -6.024 3.408 7.554 74 H SER 10 HN SER 10 -3.296 6.599 9.700 75 HA SER 10 HA SER 10 -3.260 4.615 11.661 76 1HB SER 10 HB2 SER 10 -1.876 6.787 11.504 77 2HB SER 10 HB1 SER 10 -3.234 7.552 12.329 78 HG SER 10 HG SER 10 -1.658 5.387 13.265 79 H VAL 11 HN VAL 11 -5.545 7.258 11.120 80 HA VAL 11 HA VAL 11 -7.149 6.407 13.404 81 HB VAL 11 HB VAL 11 -7.723 8.668 11.488 82 1HG1 VAL 11 HG11 VAL 11 -9.690 8.398 12.608 83 2HG1 VAL 11 HG12 VAL 11 -8.850 9.439 13.758 84 3HG1 VAL 11 HG13 VAL 11 -8.915 7.697 14.029 85 1HG2 VAL 11 HG21 VAL 11 -6.850 9.912 13.706 86 2HG2 VAL 11 HG22 VAL 11 -5.811 9.525 12.334 87 3HG2 VAL 11 HG23 VAL 11 -5.835 8.471 13.748 88 H THR 12 HN THR 12 -8.714 4.962 13.178 89 HA THR 12 HA THR 12 -9.644 4.210 10.540 90 HB THR 12 HB THR 12 -10.665 2.337 11.590 91 HG1 THR 12 HG1 THR 12 -10.390 3.821 13.979 92 1HG2 THR 12 HG21 THR 12 -8.927 1.385 13.044 93 2HG2 THR 12 HG22 THR 12 -8.132 2.959 13.088 94 3HG2 THR 12 HG23 THR 12 -8.274 2.084 11.563 95 H GLY 13 HN GLY 13 -11.632 4.575 9.689 96 1HA GLY 13 HA2 GLY 13 -13.495 6.180 11.331 97 2HA GLY 13 HA1 GLY 13 -13.222 6.484 9.622 98 H SER 14 HN SER 14 -13.206 3.767 8.769 99 HA SER 14 HA SER 14 -16.074 3.190 9.030 100 1HB SER 14 HB2 SER 14 -14.379 1.898 6.934 101 2HB SER 14 HB1 SER 14 -16.068 2.399 6.860 102 HG SER 14 HG SER 14 -13.805 4.114 6.846 103 H ARG 15 HN ARG 15 -16.044 0.563 8.080 104 HA ARG 15 HA ARG 15 -14.794 -0.824 10.332 105 1HB ARG 15 HB2 ARG 15 -17.217 -1.557 8.714 106 2HB ARG 15 HB1 ARG 15 -16.533 -2.569 9.978 107 1HG ARG 15 HG2 ARG 15 -16.860 -0.374 11.415 108 2HG ARG 15 HG1 ARG 15 -18.091 -0.053 10.191 109 1HD ARG 15 HD2 ARG 15 -17.985 -2.733 11.502 110 2HD ARG 15 HD1 ARG 15 -18.692 -1.372 12.373 111 HE ARG 15 HE ARG 15 -19.886 -1.348 9.902 112 1HH1 ARG 15 HH11 ARG 15 -19.599 -3.643 12.516 113 2HH1 ARG 15 HH12 ARG 15 -21.121 -4.399 12.185 114 1HH2 ARG 15 HH21 ARG 15 -21.888 -2.342 9.465 115 2HH2 ARG 15 HH22 ARG 15 -22.420 -3.662 10.453 116 H GLU 16 HN GLU 16 -14.708 -0.462 7.073 117 HA GLU 16 HA GLU 16 -13.468 -3.067 6.570 118 1HB GLU 16 HB2 GLU 16 -14.313 -0.914 4.620 119 2HB GLU 16 HB1 GLU 16 -13.649 -2.483 4.183 120 1HG GLU 16 HG2 GLU 16 -15.815 -3.027 3.967 121 2HG GLU 16 HG1 GLU 16 -15.706 -3.276 5.709 122 H ILE 17 HN ILE 17 -12.827 0.360 6.650 123 HA ILE 17 HA ILE 17 -10.355 0.440 5.353 124 HB ILE 17 HB ILE 17 -11.292 2.131 7.676 125 1HG1 ILE 17 HG12 ILE 17 -12.822 2.145 5.729 126 2HG1 ILE 17 HG11 ILE 17 -12.055 3.708 5.988 127 1HG2 ILE 17 HG21 ILE 17 -9.152 2.679 5.619 128 2HG2 ILE 17 HG22 ILE 17 -8.875 2.280 7.315 129 3HG2 ILE 17 HG23 ILE 17 -9.685 3.786 6.884 130 1HD1 ILE 17 HD11 ILE 17 -10.525 2.057 4.178 131 2HD1 ILE 17 HD12 ILE 17 -11.158 3.689 3.963 132 3HD1 ILE 17 HD13 ILE 17 -12.181 2.294 3.619 133 H LYS 18 HN LYS 18 -11.229 -0.586 8.575 134 HA LYS 18 HA LYS 18 -8.631 -0.537 9.705 135 1HB LYS 18 HB2 LYS 18 -11.260 -1.715 10.421 136 2HB LYS 18 HB1 LYS 18 -9.842 -2.439 11.167 137 1HG LYS 18 HG2 LYS 18 -9.448 -0.651 12.476 138 2HG LYS 18 HG1 LYS 18 -9.967 0.502 11.245 139 1HD LYS 18 HD2 LYS 18 -12.090 0.535 11.996 140 2HD LYS 18 HD1 LYS 18 -12.107 -1.200 12.318 141 1HE LYS 18 HE2 LYS 18 -10.387 -0.330 14.227 142 2HE LYS 18 HE1 LYS 18 -11.473 1.053 14.097 143 1HZ LYS 18 HZ1 LYS 18 -11.961 -1.045 15.643 144 2HZ LYS 18 HZ2 LYS 18 -12.740 -1.559 14.232 145 3HZ LYS 18 HZ3 LYS 18 -13.187 -0.099 14.959 146 H SER 19 HN SER 19 -10.427 -2.929 7.864 147 HA SER 19 HA SER 19 -8.427 -4.979 8.253 148 1HB SER 19 HB2 SER 19 -10.578 -5.125 6.164 149 2HB SER 19 HB1 SER 19 -9.873 -6.422 7.128 150 HG SER 19 HG SER 19 -12.086 -5.559 7.674 151 H GLN 20 HN GLN 20 -9.230 -2.562 5.870 152 HA GLN 20 HA GLN 20 -7.769 -3.603 3.700 153 1HB GLN 20 HB2 GLN 20 -9.129 -1.127 4.367 154 2HB GLN 20 HB1 GLN 20 -7.650 -0.823 3.465 155 1HG GLN 20 HG2 GLN 20 -9.438 -1.003 1.912 156 2HG GLN 20 HG1 GLN 20 -8.436 -2.444 1.753 157 1HE2 GLN 20 HE21 GLN 20 -11.541 -1.222 2.357 158 2HE2 GLN 20 HE22 GLN 20 -12.329 -2.722 2.695 159 H GLN 21 HN GLN 21 -6.821 -1.771 6.517 160 HA GLN 21 HA GLN 21 -4.125 -1.377 5.467 161 1HB GLN 21 HB2 GLN 21 -3.761 -0.099 7.572 162 2HB GLN 21 HB1 GLN 21 -5.075 0.529 6.587 163 1HG GLN 21 HG2 GLN 21 -6.588 0.173 8.179 164 2HG GLN 21 HG1 GLN 21 -5.958 -1.432 8.546 165 1HE2 GLN 21 HE21 GLN 21 -6.055 1.859 9.453 166 2HE2 GLN 21 HE22 GLN 21 -5.042 1.744 10.847 167 H SER 22 HN SER 22 -5.877 -3.297 7.793 168 HA SER 22 HA SER 22 -3.623 -4.250 9.235 169 1HB SER 22 HB2 SER 22 -5.118 -5.745 10.299 170 2HB SER 22 HB1 SER 22 -6.082 -4.310 9.953 171 HG SER 22 HG SER 22 -6.978 -6.473 9.382 172 H GLU 23 HN GLU 23 -5.291 -5.309 6.337 173 HA GLU 23 HA GLU 23 -4.083 -7.865 6.153 174 1HB GLU 23 HB2 GLU 23 -6.101 -6.630 4.832 175 2HB GLU 23 HB1 GLU 23 -4.819 -6.503 3.635 176 1HG GLU 23 HG2 GLU 23 -6.006 -8.482 3.156 177 2HG GLU 23 HG1 GLU 23 -4.478 -8.975 3.883 178 H VAL 24 HN VAL 24 -3.398 -4.852 4.366 179 HA VAL 24 HA VAL 24 -1.116 -5.768 3.042 180 HB VAL 24 HB VAL 24 -1.586 -2.921 3.925 181 1HG1 VAL 24 HG11 VAL 24 -0.498 -2.791 1.458 182 2HG1 VAL 24 HG12 VAL 24 0.265 -4.259 2.069 183 3HG1 VAL 24 HG13 VAL 24 0.438 -2.742 2.952 184 1HG2 VAL 24 HG21 VAL 24 -2.771 -4.484 1.649 185 2HG2 VAL 24 HG22 VAL 24 -2.659 -2.724 1.624 186 3HG2 VAL 24 HG23 VAL 24 -3.601 -3.530 2.879 187 H THR 25 HN THR 25 -1.538 -4.503 6.275 188 HA THR 25 HA THR 25 1.288 -4.196 6.755 189 HB THR 25 HB THR 25 -1.007 -4.182 8.724 190 HG1 THR 25 HG1 THR 25 0.187 -2.125 7.199 191 1HG2 THR 25 HG21 THR 25 1.869 -3.735 9.016 192 2HG2 THR 25 HG22 THR 25 0.648 -4.145 10.221 193 3HG2 THR 25 HG23 THR 25 0.847 -2.471 9.702 194 H ARG 26 HN ARG 26 -1.143 -6.648 7.238 195 HA ARG 26 HA ARG 26 0.288 -8.214 9.122 196 1HB ARG 26 HB2 ARG 26 -2.138 -8.506 7.481 197 2HB ARG 26 HB1 ARG 26 -1.317 -10.018 7.846 198 1HG ARG 26 HG2 ARG 26 -1.743 -9.872 10.085 199 2HG ARG 26 HG1 ARG 26 -1.813 -8.109 10.069 200 1HD ARG 26 HD2 ARG 26 -4.026 -8.903 10.438 201 2HD ARG 26 HD1 ARG 26 -3.955 -8.296 8.785 202 HE ARG 26 HE ARG 26 -3.401 -11.010 8.671 203 1HH1 ARG 26 HH11 ARG 26 -6.063 -8.959 9.614 204 2HH1 ARG 26 HH12 ARG 26 -7.272 -10.129 9.204 205 1HH2 ARG 26 HH21 ARG 26 -4.990 -12.549 8.131 206 2HH2 ARG 26 HH22 ARG 26 -6.664 -12.167 8.363 207 H ILE 27 HN ILE 27 -0.085 -8.450 5.593 208 HA ILE 27 HA ILE 27 1.662 -10.689 5.342 209 HB ILE 27 HB ILE 27 0.889 -8.728 3.181 210 1HG1 ILE 27 HG12 ILE 27 -0.514 -11.281 4.001 211 2HG1 ILE 27 HG11 ILE 27 -1.088 -9.659 4.373 212 1HG2 ILE 27 HG21 ILE 27 1.459 -10.411 1.634 213 2HG2 ILE 27 HG22 ILE 27 1.570 -11.641 2.894 214 3HG2 ILE 27 HG23 ILE 27 2.786 -10.367 2.795 215 1HD1 ILE 27 HD11 ILE 27 -0.560 -10.339 1.535 216 2HD1 ILE 27 HD12 ILE 27 -1.766 -9.261 2.239 217 3HD1 ILE 27 HD13 ILE 27 -1.995 -11.008 2.311 218 H LEU 28 HN LEU 28 2.043 -7.212 4.672 219 HA LEU 28 HA LEU 28 4.688 -7.300 3.777 220 1HB LEU 28 HB2 LEU 28 3.147 -5.125 5.185 221 2HB LEU 28 HB1 LEU 28 4.758 -4.891 4.535 222 HG LEU 28 HG LEU 28 2.378 -5.716 2.876 223 1HD1 LEU 28 HD11 LEU 28 2.080 -3.471 3.827 224 2HD1 LEU 28 HD12 LEU 28 2.314 -3.429 2.080 225 3HD1 LEU 28 HD13 LEU 28 3.640 -2.994 3.158 226 1HD2 LEU 28 HD21 LEU 28 3.794 -5.161 0.989 227 2HD2 LEU 28 HD22 LEU 28 4.572 -6.386 1.991 228 3HD2 LEU 28 HD23 LEU 28 5.105 -4.707 2.077 229 H ASP 29 HN ASP 29 3.378 -6.916 7.042 230 HA ASP 29 HA ASP 29 5.968 -6.681 8.259 231 1HB ASP 29 HB2 ASP 29 3.760 -5.733 9.152 232 2HB ASP 29 HB1 ASP 29 3.404 -7.373 9.688 233 H GLY 30 HN GLY 30 3.559 -9.237 7.854 234 1HA GLY 30 HA2 GLY 30 4.726 -11.189 9.482 235 2HA GLY 30 HA1 GLY 30 3.714 -11.516 8.082 236 H LYS 31 HN LYS 31 5.585 -10.095 6.284 237 HA LYS 31 HA LYS 31 7.355 -12.333 5.802 238 1HB LYS 31 HB2 LYS 31 6.570 -9.882 4.270 239 2HB LYS 31 HB1 LYS 31 8.010 -10.776 3.803 240 1HG LYS 31 HG2 LYS 31 6.829 -12.563 3.045 241 2HG LYS 31 HG1 LYS 31 5.509 -12.317 4.191 242 1HD LYS 31 HD2 LYS 31 4.382 -11.521 2.422 243 2HD LYS 31 HD1 LYS 31 5.352 -10.065 2.651 244 1HE LYS 31 HE2 LYS 31 6.523 -12.266 1.040 245 2HE LYS 31 HE1 LYS 31 5.213 -11.333 0.318 246 1HZ LYS 31 HZ1 LYS 31 7.743 -10.219 1.406 247 2HZ LYS 31 HZ2 LYS 31 6.484 -9.312 0.734 248 3HZ LYS 31 HZ3 LYS 31 7.358 -10.389 -0.234 249 H ARG 32 HN ARG 32 7.555 -9.612 7.672 250 HA ARG 32 HA ARG 32 9.259 -8.539 8.721 251 1HB ARG 32 HB2 ARG 32 10.853 -10.858 7.619 252 2HB ARG 32 HB1 ARG 32 11.490 -9.677 8.754 253 1HG ARG 32 HG2 ARG 32 10.881 -11.321 10.201 254 2HG ARG 32 HG1 ARG 32 9.382 -10.391 10.161 255 1HD ARG 32 HD2 ARG 32 8.261 -12.125 9.339 256 2HD ARG 32 HD1 ARG 32 9.418 -12.311 8.022 257 HE ARG 32 HE ARG 32 9.297 -13.835 10.459 258 1HH1 ARG 32 HH11 ARG 32 11.347 -12.780 7.839 259 2HH1 ARG 32 HH12 ARG 32 12.459 -14.095 8.013 260 1HH2 ARG 32 HH21 ARG 32 10.760 -15.566 10.690 261 2HH2 ARG 32 HH22 ARG 32 12.126 -15.677 9.631 262 H ILE 33 HN ILE 33 8.532 -7.491 6.296 263 HA ILE 33 HA ILE 33 10.942 -6.964 4.768 264 HB ILE 33 HB ILE 33 8.185 -5.804 4.358 265 1HG1 ILE 33 HG12 ILE 33 9.461 -8.258 3.130 266 2HG1 ILE 33 HG11 ILE 33 8.079 -8.238 4.221 267 1HG2 ILE 33 HG21 ILE 33 10.654 -5.918 2.641 268 2HG2 ILE 33 HG22 ILE 33 9.806 -4.489 3.231 269 3HG2 ILE 33 HG23 ILE 33 9.055 -5.519 2.013 270 1HD1 ILE 33 HD11 ILE 33 7.654 -6.568 1.896 271 2HD1 ILE 33 HD12 ILE 33 6.662 -7.870 2.555 272 3HD1 ILE 33 HD13 ILE 33 8.001 -8.243 1.469 273 H GLN 34 HN GLN 34 11.582 -4.770 4.276 274 HA GLN 34 HA GLN 34 11.375 -3.051 6.640 275 1HB GLN 34 HB2 GLN 34 13.352 -1.890 5.696 276 2HB GLN 34 HB1 GLN 34 13.637 -3.601 5.985 277 1HG GLN 34 HG2 GLN 34 12.668 -3.193 3.315 278 2HG GLN 34 HG1 GLN 34 14.066 -2.167 3.626 279 1HE2 GLN 34 HE21 GLN 34 13.350 -5.339 4.982 280 2HE2 GLN 34 HE22 GLN 34 14.720 -6.141 4.302 281 H TYR 35 HN TYR 35 9.241 -3.237 4.678 282 HA TYR 35 HA TYR 35 9.241 -1.071 2.890 283 1HB TYR 35 HB2 TYR 35 6.883 -1.437 2.675 284 2HB TYR 35 HB1 TYR 35 7.642 -3.012 2.877 285 HD1 TYR 35 HD1 TYR 35 5.191 -0.722 4.135 286 HD2 TYR 35 HD2 TYR 35 7.565 -4.094 5.182 287 HE1 TYR 35 HE1 TYR 35 3.681 -1.193 6.017 288 HE2 TYR 35 HE2 TYR 35 6.061 -4.574 7.067 289 HH TYR 35 HH TYR 35 3.276 -3.820 7.437 290 H GLN 36 HN GLN 36 8.307 0.985 3.019 291 HA GLN 36 HA GLN 36 8.528 2.235 5.603 292 1HB GLN 36 HB2 GLN 36 8.943 3.081 3.019 293 2HB GLN 36 HB1 GLN 36 7.411 3.845 3.419 294 1HG GLN 36 HG2 GLN 36 9.019 5.418 4.005 295 2HG GLN 36 HG1 GLN 36 8.565 4.668 5.534 296 1HE2 GLN 36 HE21 GLN 36 11.079 5.951 4.205 297 2HE2 GLN 36 HE22 GLN 36 12.349 4.895 4.712 298 H LEU 37 HN LEU 37 6.692 4.065 5.918 299 HA LEU 37 HA LEU 37 4.055 2.939 5.439 300 1HB LEU 37 HB2 LEU 37 5.114 2.187 7.680 301 2HB LEU 37 HB1 LEU 37 4.768 3.819 8.210 302 HG LEU 37 HG LEU 37 2.720 1.838 7.207 303 1HD1 LEU 37 HD11 LEU 37 3.767 2.500 9.890 304 2HD1 LEU 37 HD12 LEU 37 3.090 0.993 9.273 305 3HD1 LEU 37 HD13 LEU 37 2.020 2.315 9.740 306 1HD2 LEU 37 HD21 LEU 37 1.860 3.938 6.680 307 2HD2 LEU 37 HD22 LEU 37 2.555 4.690 8.116 308 3HD2 LEU 37 HD23 LEU 37 1.176 3.600 8.270 309 H VAL 38 HN VAL 38 4.027 4.763 4.034 310 HA VAL 38 HA VAL 38 4.185 7.410 5.157 311 HB VAL 38 HB VAL 38 3.168 8.049 2.858 312 1HG1 VAL 38 HG11 VAL 38 5.469 8.467 3.422 313 2HG1 VAL 38 HG12 VAL 38 5.388 7.821 1.783 314 3HG1 VAL 38 HG13 VAL 38 5.891 6.782 3.116 315 1HG2 VAL 38 HG21 VAL 38 3.309 6.466 1.106 316 2HG2 VAL 38 HG22 VAL 38 2.434 5.670 2.412 317 3HG2 VAL 38 HG23 VAL 38 4.133 5.293 2.132 318 H ASP 39 HN ASP 39 2.647 7.079 6.826 319 HA ASP 39 HA ASP 39 -0.120 6.633 6.171 320 1HB ASP 39 HB2 ASP 39 1.302 6.252 8.431 321 2HB ASP 39 HB1 ASP 39 0.581 7.816 8.797 322 H ILE 40 HN ILE 40 -1.398 8.100 5.321 323 HA ILE 40 HA ILE 40 -0.725 10.894 5.317 324 HB ILE 40 HB ILE 40 -2.800 11.174 4.012 325 1HG1 ILE 40 HG12 ILE 40 -3.115 8.180 4.110 326 2HG1 ILE 40 HG11 ILE 40 -3.948 9.230 5.253 327 1HG2 ILE 40 HG21 ILE 40 -1.754 8.908 2.559 328 2HG2 ILE 40 HG22 ILE 40 -0.457 9.870 3.267 329 3HG2 ILE 40 HG23 ILE 40 -1.635 10.630 2.198 330 1HD1 ILE 40 HD11 ILE 40 -5.578 9.267 3.741 331 2HD1 ILE 40 HD12 ILE 40 -4.526 8.666 2.458 332 3HD1 ILE 40 HD13 ILE 40 -4.546 10.386 2.850 333 H SER 41 HN SER 41 -2.166 8.996 7.607 334 HA SER 41 HA SER 41 -4.232 10.849 8.422 335 1HB SER 41 HB2 SER 41 -4.239 8.263 8.697 336 2HB SER 41 HB1 SER 41 -3.227 8.570 10.109 337 HG SER 41 HG SER 41 -5.807 9.659 9.636 338 H GLN 42 HN GLN 42 -2.207 12.422 8.371 339 HA GLN 42 HA GLN 42 -1.696 13.080 11.126 340 1HB GLN 42 HB2 GLN 42 0.105 11.400 10.377 341 2HB GLN 42 HB1 GLN 42 0.719 12.701 9.371 342 1HG GLN 42 HG2 GLN 42 0.248 13.358 12.206 343 2HG GLN 42 HG1 GLN 42 1.559 12.229 11.867 344 1HE2 GLN 42 HE21 GLN 42 1.964 14.745 12.980 345 2HE2 GLN 42 HE22 GLN 42 2.843 15.717 11.853 346 H ASP 43 HN ASP 43 -0.544 13.728 7.821 347 HA ASP 43 HA ASP 43 -1.011 16.596 8.318 348 1HB ASP 43 HB2 ASP 43 1.426 15.627 7.926 349 2HB ASP 43 HB1 ASP 43 0.938 15.711 6.236 350 H ASN 44 HN ASN 44 -2.445 17.553 7.030 351 HA ASN 44 HA ASN 44 -4.022 16.182 5.200 352 1HB ASN 44 HB2 ASN 44 -3.510 19.124 5.597 353 2HB ASN 44 HB1 ASN 44 -4.650 18.532 4.393 354 1HD2 ASN 44 HD21 ASN 44 -5.265 20.174 6.623 355 2HD2 ASN 44 HD22 ASN 44 -6.353 19.292 7.635 356 H ALA 45 HN ALA 45 -0.931 17.674 4.767 357 HA ALA 45 HA ALA 45 -1.028 18.065 1.966 358 1HB ALA 45 HB1 ALA 45 1.597 17.736 2.383 359 2HB ALA 45 HB2 ALA 45 1.074 18.024 4.043 360 3HB ALA 45 HB3 ALA 45 0.734 19.220 2.792 361 H LEU 46 HN LEU 46 -0.403 15.276 3.963 362 HA LEU 46 HA LEU 46 0.846 13.682 1.974 363 1HB LEU 46 HB2 LEU 46 -0.511 13.099 4.583 364 2HB LEU 46 HB1 LEU 46 -0.017 11.789 3.529 365 HG LEU 46 HG LEU 46 2.061 13.802 4.132 366 1HD1 LEU 46 HD11 LEU 46 2.538 12.571 6.304 367 2HD1 LEU 46 HD12 LEU 46 0.871 12.002 6.220 368 3HD1 LEU 46 HD13 LEU 46 1.209 13.730 6.319 369 1HD2 LEU 46 HD21 LEU 46 2.158 10.801 4.285 370 2HD2 LEU 46 HD22 LEU 46 3.496 11.929 4.065 371 3HD2 LEU 46 HD23 LEU 46 2.324 11.687 2.769 372 H ARG 47 HN ARG 47 -2.471 14.364 2.816 373 HA ARG 47 HA ARG 47 -3.618 12.220 1.320 374 1HB ARG 47 HB2 ARG 47 -4.567 13.932 3.209 375 2HB ARG 47 HB1 ARG 47 -5.254 14.636 1.752 376 1HG ARG 47 HG2 ARG 47 -6.776 13.027 1.575 377 2HG ARG 47 HG1 ARG 47 -5.577 11.757 1.826 378 1HD ARG 47 HD2 ARG 47 -5.832 11.800 4.136 379 2HD ARG 47 HD1 ARG 47 -6.540 13.415 4.125 380 HE ARG 47 HE ARG 47 -8.190 11.562 2.742 381 1HH1 ARG 47 HH11 ARG 47 -7.255 12.578 5.947 382 2HH1 ARG 47 HH12 ARG 47 -8.739 12.067 6.678 383 1HH2 ARG 47 HH21 ARG 47 -10.143 10.889 3.701 384 2HH2 ARG 47 HH22 ARG 47 -10.379 11.107 5.403 385 H ASP 48 HN ASP 48 -3.047 15.663 0.691 386 HA ASP 48 HA ASP 48 -4.126 15.455 -1.970 387 1HB ASP 48 HB2 ASP 48 -3.108 17.654 -0.261 388 2HB ASP 48 HB1 ASP 48 -3.008 17.886 -2.004 389 H GLU 49 HN GLU 49 -1.376 14.442 -0.705 390 HA GLU 49 HA GLU 49 0.319 15.180 -2.977 391 1HB GLU 49 HB2 GLU 49 1.309 15.504 -0.767 392 2HB GLU 49 HB1 GLU 49 1.015 13.817 -0.367 393 1HG GLU 49 HG2 GLU 49 2.588 13.094 -2.032 394 2HG GLU 49 HG1 GLU 49 2.804 14.749 -2.600 395 H MET 50 HN MET 50 -1.310 12.502 -1.469 396 HA MET 50 HA MET 50 -0.015 10.522 -3.141 397 1HB MET 50 HB2 MET 50 -1.130 10.383 -0.668 398 2HB MET 50 HB1 MET 50 -2.455 9.778 -1.653 399 1HG MET 50 HG2 MET 50 0.293 8.676 -2.013 400 2HG MET 50 HG1 MET 50 -0.711 8.135 -0.669 401 1HE MET 50 HE1 MET 50 -0.517 6.074 -4.428 402 2HE MET 50 HE2 MET 50 0.230 5.860 -2.845 403 3HE MET 50 HE3 MET 50 0.570 7.308 -3.792 404 H ARG 51 HN ARG 51 -3.190 12.058 -2.851 405 HA ARG 51 HA ARG 51 -4.549 10.582 -4.789 406 1HB ARG 51 HB2 ARG 51 -4.908 13.171 -3.442 407 2HB ARG 51 HB1 ARG 51 -5.664 13.071 -5.027 408 1HG ARG 51 HG2 ARG 51 -7.334 12.386 -3.572 409 2HG ARG 51 HG1 ARG 51 -6.675 10.869 -4.187 410 1HD ARG 51 HD2 ARG 51 -5.338 10.607 -2.180 411 2HD ARG 51 HD1 ARG 51 -5.904 12.163 -1.574 412 HE ARG 51 HE ARG 51 -7.270 9.665 -1.420 413 1HH1 ARG 51 HH11 ARG 51 -7.759 13.110 -1.695 414 2HH1 ARG 51 HH12 ARG 51 -9.332 13.071 -0.972 415 1HH2 ARG 51 HH21 ARG 51 -9.340 9.612 -0.470 416 2HH2 ARG 51 HH22 ARG 51 -10.230 11.085 -0.277 417 H ALA 52 HN ALA 52 -2.223 13.154 -5.111 418 HA ALA 52 HA ALA 52 -2.798 13.578 -7.919 419 1HB ALA 52 HB1 ALA 52 -0.545 14.667 -6.236 420 2HB ALA 52 HB2 ALA 52 -2.105 15.450 -6.484 421 3HB ALA 52 HB3 ALA 52 -1.011 15.215 -7.846 422 H LEU 53 HN LEU 53 0.078 12.528 -6.080 423 HA LEU 53 HA LEU 53 1.571 11.676 -8.281 424 1HB LEU 53 HB2 LEU 53 1.625 10.671 -5.435 425 2HB LEU 53 HB1 LEU 53 2.851 10.324 -6.639 426 HG LEU 53 HG LEU 53 2.218 13.173 -6.003 427 1HD1 LEU 53 HD11 LEU 53 2.660 11.622 -3.906 428 2HD1 LEU 53 HD12 LEU 53 3.366 13.233 -4.038 429 3HD1 LEU 53 HD13 LEU 53 4.334 11.811 -4.429 430 1HD2 LEU 53 HD21 LEU 53 4.923 12.010 -6.472 431 2HD2 LEU 53 HD22 LEU 53 4.297 13.608 -6.878 432 3HD2 LEU 53 HD23 LEU 53 3.818 12.205 -7.833 433 H ALA 54 HN ALA 54 -1.002 10.114 -6.533 434 HA ALA 54 HA ALA 54 -0.485 7.495 -7.600 435 1HB ALA 54 HB1 ALA 54 -2.423 6.794 -6.432 436 2HB ALA 54 HB2 ALA 54 -3.031 8.445 -6.312 437 3HB ALA 54 HB3 ALA 54 -1.603 7.963 -5.396 438 H GLY 55 HN GLY 55 -1.689 10.261 -8.994 439 1HA GLY 55 HA2 GLY 55 -2.857 10.674 -10.926 440 2HA GLY 55 HA1 GLY 55 -2.448 9.026 -11.381 441 H ASN 56 HN ASN 56 -4.487 10.284 -8.758 442 HA ASN 56 HA ASN 56 -6.978 9.869 -9.860 443 1HB ASN 56 HB2 ASN 56 -7.487 7.663 -8.515 444 2HB ASN 56 HB1 ASN 56 -6.819 7.574 -10.139 445 1HD2 ASN 56 HD21 ASN 56 -5.588 8.002 -6.835 446 2HD2 ASN 56 HD22 ASN 56 -4.330 6.826 -6.972 447 HA PRO 57 HA PRO 57 -7.423 11.734 -5.888 448 1HB PRO 57 HB2 PRO 57 -9.715 13.075 -6.841 449 2HB PRO 57 HB1 PRO 57 -8.081 13.710 -6.730 450 1HG PRO 57 HG2 PRO 57 -9.497 13.252 -9.076 451 2HG PRO 57 HG1 PRO 57 -7.743 13.471 -8.952 452 1HD PRO 57 HD2 PRO 57 -9.333 10.957 -9.162 453 2HD PRO 57 HD1 PRO 57 -7.747 11.362 -9.857 454 H LYS 58 HN LYS 58 -8.696 9.104 -6.725 455 HA LYS 58 HA LYS 58 -10.942 9.226 -4.837 456 1HB LYS 58 HB2 LYS 58 -12.201 7.650 -6.184 457 2HB LYS 58 HB1 LYS 58 -11.800 9.065 -7.148 458 1HG LYS 58 HG2 LYS 58 -9.708 7.484 -7.748 459 2HG LYS 58 HG1 LYS 58 -10.947 6.265 -7.444 460 1HD LYS 58 HD2 LYS 58 -11.551 6.612 -9.574 461 2HD LYS 58 HD1 LYS 58 -12.292 8.096 -8.974 462 1HE LYS 58 HE2 LYS 58 -10.500 9.415 -9.669 463 2HE LYS 58 HE1 LYS 58 -9.410 8.035 -9.789 464 1HZ LYS 58 HZ1 LYS 58 -11.526 8.888 -11.653 465 2HZ LYS 58 HZ2 LYS 58 -11.027 7.272 -11.621 466 3HZ LYS 58 HZ3 LYS 58 -9.913 8.493 -11.978 467 H ALA 59 HN ALA 59 -7.937 8.117 -5.274 468 HA ALA 59 HA ALA 59 -7.975 5.379 -4.793 469 1HB ALA 59 HB1 ALA 59 -5.826 6.730 -3.381 470 2HB ALA 59 HB2 ALA 59 -6.037 7.330 -5.025 471 3HB ALA 59 HB3 ALA 59 -5.759 5.612 -4.743 472 H THR 60 HN THR 60 -6.590 4.873 -2.490 473 HA THR 60 HA THR 60 -8.283 5.809 -0.289 474 HB THR 60 HB THR 60 -8.712 3.586 0.497 475 HG1 THR 60 HG1 THR 60 -7.857 1.779 -0.541 476 1HG2 THR 60 HG21 THR 60 -10.010 4.450 -1.580 477 2HG2 THR 60 HG22 THR 60 -10.191 2.777 -1.051 478 3HG2 THR 60 HG23 THR 60 -9.141 3.162 -2.415 479 HA PRO 61 HA PRO 61 -4.763 6.023 2.345 480 1HB PRO 61 HB2 PRO 61 -5.767 3.708 3.939 481 2HB PRO 61 HB1 PRO 61 -5.231 5.301 4.482 482 1HG PRO 61 HG2 PRO 61 -7.823 4.715 4.376 483 2HG PRO 61 HG1 PRO 61 -7.234 6.320 3.906 484 1HD PRO 61 HD2 PRO 61 -8.162 4.064 2.195 485 2HD PRO 61 HD1 PRO 61 -8.338 5.813 1.949 486 HA PRO 62 HA PRO 62 -2.891 1.575 2.052 487 1HB PRO 62 HB2 PRO 62 -4.312 -0.322 0.733 488 2HB PRO 62 HB1 PRO 62 -4.464 -0.048 2.473 489 1HG PRO 62 HG2 PRO 62 -6.222 0.905 0.245 490 2HG PRO 62 HG1 PRO 62 -6.679 0.226 1.818 491 1HD PRO 62 HD2 PRO 62 -6.708 2.881 1.320 492 2HD PRO 62 HD1 PRO 62 -6.331 2.218 2.921 493 H GLN 63 HN GLN 63 -1.625 2.829 0.598 494 HA GLN 63 HA GLN 63 -1.933 2.006 -2.207 495 1HB GLN 63 HB2 GLN 63 -1.198 4.790 -1.279 496 2HB GLN 63 HB1 GLN 63 -1.239 4.243 -2.949 497 1HG GLN 63 HG2 GLN 63 -3.732 3.807 -1.487 498 2HG GLN 63 HG1 GLN 63 -3.272 5.501 -1.654 499 1HE2 GLN 63 HE21 GLN 63 -4.931 3.037 -3.051 500 2HE2 GLN 63 HE22 GLN 63 -4.973 3.601 -4.683 501 H ILE 64 HN ILE 64 -0.148 1.120 -3.013 502 HA ILE 64 HA ILE 64 2.325 1.319 -1.463 503 HB ILE 64 HB ILE 64 1.725 -0.538 -3.765 504 1HG1 ILE 64 HG12 ILE 64 1.819 -1.656 -1.049 505 2HG1 ILE 64 HG11 ILE 64 0.457 -0.575 -1.328 506 1HG2 ILE 64 HG21 ILE 64 4.029 -0.104 -1.982 507 2HG2 ILE 64 HG22 ILE 64 3.966 -0.740 -3.625 508 3HG2 ILE 64 HG23 ILE 64 3.578 -1.787 -2.260 509 1HD1 ILE 64 HD11 ILE 64 -0.520 -2.469 -2.035 510 2HD1 ILE 64 HD12 ILE 64 1.015 -3.245 -2.424 511 3HD1 ILE 64 HD13 ILE 64 0.308 -2.079 -3.542 512 H VAL 65 HN VAL 65 4.084 2.350 -2.162 513 HA VAL 65 HA VAL 65 4.184 3.212 -4.977 514 HB VAL 65 HB VAL 65 5.013 4.836 -2.569 515 1HG1 VAL 65 HG11 VAL 65 4.888 6.226 -5.116 516 2HG1 VAL 65 HG12 VAL 65 6.100 4.946 -5.102 517 3HG1 VAL 65 HG13 VAL 65 6.155 6.223 -3.889 518 1HG2 VAL 65 HG21 VAL 65 3.231 6.395 -3.428 519 2HG2 VAL 65 HG22 VAL 65 2.647 4.882 -2.735 520 3HG2 VAL 65 HG23 VAL 65 2.709 5.085 -4.487 521 H ASN 66 HN ASN 66 6.110 3.002 -5.993 522 HA ASN 66 HA ASN 66 8.216 1.603 -4.523 523 1HB ASN 66 HB2 ASN 66 7.083 1.133 -6.998 524 2HB ASN 66 HB1 ASN 66 8.607 1.914 -7.407 525 1HD2 ASN 66 HD21 ASN 66 10.140 0.983 -5.253 526 2HD2 ASN 66 HD22 ASN 66 10.375 -0.717 -5.452 527 H GLY 67 HN GLY 67 8.719 3.730 -3.489 528 1HA GLY 67 HA2 GLY 67 10.505 5.210 -3.245 529 2HA GLY 67 HA1 GLY 67 10.921 4.953 -4.932 530 H ASP 68 HN ASP 68 9.370 5.926 -6.534 531 HA ASP 68 HA ASP 68 7.912 8.244 -5.557 532 1HB ASP 68 HB2 ASP 68 10.481 8.695 -6.169 533 2HB ASP 68 HB1 ASP 68 9.794 8.822 -7.786 534 H GLN 69 HN GLN 69 6.942 5.895 -6.713 535 HA GLN 69 HA GLN 69 5.624 7.010 -9.046 536 1HB GLN 69 HB2 GLN 69 7.731 5.086 -9.286 537 2HB GLN 69 HB1 GLN 69 6.219 4.330 -9.766 538 1HG GLN 69 HG2 GLN 69 6.259 6.875 -10.959 539 2HG GLN 69 HG1 GLN 69 7.858 6.174 -11.203 540 1HE2 GLN 69 HE21 GLN 69 7.131 3.481 -11.337 541 2HE2 GLN 69 HE22 GLN 69 6.234 3.225 -12.792 542 H TYR 70 HN TYR 70 3.778 5.626 -9.735 543 HA TYR 70 HA TYR 70 2.389 4.698 -7.393 544 1HB TYR 70 HB2 TYR 70 1.411 6.001 -9.409 545 2HB TYR 70 HB1 TYR 70 1.357 4.431 -10.201 546 HD1 TYR 70 HD1 TYR 70 0.696 5.162 -6.618 547 HD2 TYR 70 HD2 TYR 70 -0.955 4.062 -10.383 548 HE1 TYR 70 HE1 TYR 70 -1.456 4.691 -5.530 549 HE2 TYR 70 HE2 TYR 70 -3.113 3.591 -9.303 550 HH TYR 70 HH TYR 70 -4.337 4.148 -7.309 551 H CYS 71 HN CYS 71 2.959 2.778 -6.617 552 HA CYS 71 HA CYS 71 3.835 0.633 -8.317 553 1HB CYS 71 HB2 CYS 71 4.415 1.259 -5.777 554 2HB CYS 71 HB1 CYS 71 3.122 0.102 -5.482 555 HG CYS 71 HG CYS 71 5.445 -1.121 -5.545 556 H GLY 72 HN GLY 72 1.004 1.125 -6.177 557 1HA GLY 72 HA2 GLY 72 -0.837 -0.029 -7.916 558 2HA GLY 72 HA1 GLY 72 -0.235 -1.322 -6.895 559 H ASP 73 HN ASP 73 -2.169 -1.694 -5.882 560 HA ASP 73 HA ASP 73 -2.876 0.245 -3.818 561 1HB ASP 73 HB2 ASP 73 -4.365 0.213 -6.080 562 2HB ASP 73 HB1 ASP 73 -5.195 -1.029 -5.147 563 H TYR 74 HN TYR 74 -5.084 -1.026 -2.779 564 HA TYR 74 HA TYR 74 -3.882 -3.196 -1.379 565 1HB TYR 74 HB2 TYR 74 -5.472 -1.723 -0.268 566 2HB TYR 74 HB1 TYR 74 -6.737 -2.193 -1.398 567 HD1 TYR 74 HD1 TYR 74 -7.531 -4.605 -1.376 568 HD2 TYR 74 HD2 TYR 74 -5.085 -2.961 1.692 569 HE1 TYR 74 HE1 TYR 74 -8.197 -6.433 0.126 570 HE2 TYR 74 HE2 TYR 74 -5.743 -4.785 3.203 571 HH TYR 74 HH TYR 74 -7.457 -7.558 2.101 572 H GLU 75 HN GLU 75 -6.457 -2.968 -3.811 573 HA GLU 75 HA GLU 75 -7.193 -5.653 -3.866 574 1HB GLU 75 HB2 GLU 75 -7.966 -3.353 -5.143 575 2HB GLU 75 HB1 GLU 75 -7.253 -4.279 -6.453 576 1HG GLU 75 HG2 GLU 75 -8.959 -5.944 -4.856 577 2HG GLU 75 HG1 GLU 75 -9.822 -4.507 -5.397 578 H LEU 76 HN LEU 76 -4.861 -3.912 -5.919 579 HA LEU 76 HA LEU 76 -4.058 -6.023 -7.525 580 1HB LEU 76 HB2 LEU 76 -2.369 -3.739 -6.501 581 2HB LEU 76 HB1 LEU 76 -1.973 -4.762 -7.869 582 HG LEU 76 HG LEU 76 -4.396 -3.869 -8.654 583 1HD1 LEU 76 HD11 LEU 76 -3.434 -1.279 -7.758 584 2HD1 LEU 76 HD12 LEU 76 -3.930 -2.316 -6.421 585 3HD1 LEU 76 HD13 LEU 76 -5.061 -1.957 -7.725 586 1HD2 LEU 76 HD21 LEU 76 -3.222 -2.381 -10.124 587 2HD2 LEU 76 HD22 LEU 76 -2.235 -3.823 -9.884 588 3HD2 LEU 76 HD23 LEU 76 -1.834 -2.329 -9.037 589 H PHE 77 HN PHE 77 -2.212 -4.798 -4.729 590 HA PHE 77 HA PHE 77 -0.336 -6.767 -4.517 591 1HB PHE 77 HB2 PHE 77 -0.289 -4.784 -3.121 592 2HB PHE 77 HB1 PHE 77 -1.742 -5.304 -2.275 593 HD1 PHE 77 HD1 PHE 77 -1.643 -7.317 -0.803 594 HD2 PHE 77 HD2 PHE 77 1.845 -5.545 -2.478 595 HE1 PHE 77 HE1 PHE 77 -0.257 -8.480 0.863 596 HE2 PHE 77 HE2 PHE 77 3.238 -6.706 -0.815 597 HZ PHE 77 HZ PHE 77 2.187 -8.176 0.859 598 H VAL 78 HN VAL 78 -3.438 -6.758 -2.748 599 HA VAL 78 HA VAL 78 -3.165 -9.341 -1.676 600 HB VAL 78 HB VAL 78 -5.764 -7.936 -2.301 601 1HG1 VAL 78 HG11 VAL 78 -6.550 -9.913 -1.569 602 2HG1 VAL 78 HG12 VAL 78 -6.135 -9.278 0.024 603 3HG1 VAL 78 HG13 VAL 78 -5.020 -10.359 -0.813 604 1HG2 VAL 78 HG21 VAL 78 -3.726 -6.940 -0.735 605 2HG2 VAL 78 HG22 VAL 78 -4.778 -7.740 0.432 606 3HG2 VAL 78 HG23 VAL 78 -5.428 -6.491 -0.630 607 H GLU 79 HN GLU 79 -4.425 -8.200 -4.745 608 HA GLU 79 HA GLU 79 -5.588 -10.713 -5.481 609 1HB GLU 79 HB2 GLU 79 -6.446 -8.626 -6.413 610 2HB GLU 79 HB1 GLU 79 -4.891 -8.308 -7.171 611 1HG GLU 79 HG2 GLU 79 -5.148 -10.122 -8.670 612 2HG GLU 79 HG1 GLU 79 -6.540 -10.742 -7.785 613 H ALA 80 HN ALA 80 -2.426 -9.769 -5.183 614 HA ALA 80 HA ALA 80 -1.468 -11.285 -7.487 615 1HB ALA 80 HB1 ALA 80 -0.521 -9.025 -6.772 616 2HB ALA 80 HB2 ALA 80 0.632 -10.310 -7.127 617 3HB ALA 80 HB3 ALA 80 0.253 -9.903 -5.453 618 H VAL 81 HN VAL 81 -0.911 -11.213 -3.956 619 HA VAL 81 HA VAL 81 0.626 -13.500 -3.724 620 HB VAL 81 HB VAL 81 -1.485 -12.657 -1.734 621 1HG1 VAL 81 HG11 VAL 81 0.793 -14.536 -1.694 622 2HG1 VAL 81 HG12 VAL 81 -0.727 -14.572 -0.800 623 3HG1 VAL 81 HG13 VAL 81 0.587 -13.524 -0.264 624 1HG2 VAL 81 HG21 VAL 81 1.217 -11.745 -1.198 625 2HG2 VAL 81 HG22 VAL 81 -0.302 -10.849 -1.185 626 3HG2 VAL 81 HG23 VAL 81 0.574 -11.078 -2.698 627 H GLU 82 HN GLU 82 -2.817 -13.188 -4.153 628 HA GLU 82 HA GLU 82 -3.698 -15.708 -3.388 629 1HB GLU 82 HB2 GLU 82 -5.492 -15.286 -5.193 630 2HB GLU 82 HB1 GLU 82 -5.377 -14.161 -3.846 631 1HG GLU 82 HG2 GLU 82 -5.066 -12.475 -5.233 632 2HG GLU 82 HG1 GLU 82 -3.659 -13.267 -5.942 633 H GLN 83 HN GLN 83 -2.566 -14.641 -6.593 634 HA GLN 83 HA GLN 83 -2.573 -17.432 -7.487 635 1HB GLN 83 HB2 GLN 83 -3.412 -15.155 -8.751 636 2HB GLN 83 HB1 GLN 83 -1.795 -15.347 -9.410 637 1HG GLN 83 HG2 GLN 83 -2.450 -17.739 -9.935 638 2HG GLN 83 HG1 GLN 83 -4.105 -17.253 -9.573 639 1HE2 GLN 83 HE21 GLN 83 -1.329 -16.066 -11.444 640 2HE2 GLN 83 HE22 GLN 83 -2.242 -15.633 -12.845 641 H ASN 84 HN ASN 84 -0.537 -15.631 -5.840 642 HA ASN 84 HA ASN 84 1.671 -15.832 -5.388 643 1HB ASN 84 HB2 ASN 84 1.197 -18.189 -6.681 644 2HB ASN 84 HB1 ASN 84 2.401 -17.459 -7.738 645 1HD2 ASN 84 HD21 ASN 84 2.447 -19.767 -5.829 646 2HD2 ASN 84 HD22 ASN 84 3.822 -19.472 -4.825 647 H THR 85 HN THR 85 0.343 -14.021 -7.388 648 HA THR 85 HA THR 85 2.444 -13.391 -9.255 649 HB THR 85 HB THR 85 0.583 -11.275 -9.186 650 HG1 THR 85 HG1 THR 85 -1.377 -12.313 -9.218 651 1HG2 THR 85 HG21 THR 85 1.685 -12.633 -11.135 652 2HG2 THR 85 HG22 THR 85 0.140 -11.812 -11.353 653 3HG2 THR 85 HG23 THR 85 0.181 -13.549 -11.050 654 H LEU 86 HN LEU 86 1.552 -12.528 -6.066 655 HA LEU 86 HA LEU 86 2.175 -10.013 -5.527 656 1HB LEU 86 HB2 LEU 86 1.866 -11.958 -3.915 657 2HB LEU 86 HB1 LEU 86 3.597 -12.203 -4.038 658 HG LEU 86 HG LEU 86 2.803 -10.893 -2.036 659 1HD1 LEU 86 HD11 LEU 86 5.090 -10.689 -3.532 660 2HD1 LEU 86 HD12 LEU 86 4.842 -9.997 -1.929 661 3HD1 LEU 86 HD13 LEU 86 4.582 -9.008 -3.365 662 1HD2 LEU 86 HD21 LEU 86 2.654 -8.452 -3.688 663 2HD2 LEU 86 HD22 LEU 86 1.799 -8.876 -2.205 664 3HD2 LEU 86 HD23 LEU 86 1.257 -9.527 -3.751 665 H GLN 87 HN GLN 87 4.621 -12.403 -6.459 666 HA GLN 87 HA GLN 87 6.894 -10.832 -6.008 667 1HB GLN 87 HB2 GLN 87 7.236 -13.137 -6.454 668 2HB GLN 87 HB1 GLN 87 6.343 -13.056 -7.966 669 1HG GLN 87 HG2 GLN 87 8.089 -11.842 -9.029 670 2HG GLN 87 HG1 GLN 87 8.934 -11.605 -7.501 671 1HE2 GLN 87 HE21 GLN 87 10.576 -12.907 -7.145 672 2HE2 GLN 87 HE22 GLN 87 10.807 -14.474 -7.836 673 H GLU 88 HN GLU 88 5.131 -11.357 -9.062 674 HA GLU 88 HA GLU 88 6.482 -9.652 -10.717 675 1HB GLU 88 HB2 GLU 88 4.300 -11.150 -11.030 676 2HB GLU 88 HB1 GLU 88 3.511 -9.586 -10.884 677 1HG GLU 88 HG2 GLU 88 5.787 -9.637 -12.727 678 2HG GLU 88 HG1 GLU 88 4.427 -10.656 -13.198 679 H PHE 89 HN PHE 89 4.450 -8.817 -8.050 680 HA PHE 89 HA PHE 89 4.361 -6.010 -8.864 681 1HB PHE 89 HB2 PHE 89 2.264 -7.106 -8.118 682 2HB PHE 89 HB1 PHE 89 2.997 -7.390 -6.544 683 HD1 PHE 89 HD1 PHE 89 3.843 -5.293 -5.281 684 HD2 PHE 89 HD2 PHE 89 1.054 -5.184 -8.492 685 HE1 PHE 89 HE1 PHE 89 3.057 -3.090 -4.518 686 HE2 PHE 89 HE2 PHE 89 0.264 -2.982 -7.737 687 HZ PHE 89 HZ PHE 89 1.266 -1.930 -5.747 688 H LEU 90 HN LEU 90 5.864 -8.158 -6.574 689 HA LEU 90 HA LEU 90 6.903 -5.889 -5.041 690 1HB LEU 90 HB2 LEU 90 6.240 -8.633 -4.423 691 2HB LEU 90 HB1 LEU 90 7.874 -8.256 -3.913 692 HG LEU 90 HG LEU 90 5.323 -6.910 -3.039 693 1HD1 LEU 90 HD11 LEU 90 7.243 -7.797 -1.040 694 2HD1 LEU 90 HD12 LEU 90 6.639 -9.111 -2.049 695 3HD1 LEU 90 HD13 LEU 90 5.508 -8.093 -1.159 696 1HD2 LEU 90 HD21 LEU 90 6.577 -5.033 -3.002 697 2HD2 LEU 90 HD22 LEU 90 8.101 -5.920 -3.035 698 3HD2 LEU 90 HD23 LEU 90 7.215 -5.746 -1.520 699 H LYS 91 HN LYS 91 8.285 -8.980 -6.211 700 HA LYS 91 HA LYS 91 10.873 -7.641 -6.459 701 1HB LYS 91 HB2 LYS 91 10.484 -10.567 -6.946 702 2HB LYS 91 HB1 LYS 91 11.889 -9.721 -6.316 703 1HG LYS 91 HG2 LYS 91 10.831 -9.404 -4.195 704 2HG LYS 91 HG1 LYS 91 9.302 -10.034 -4.812 705 1HD LYS 91 HD2 LYS 91 11.010 -12.081 -5.380 706 2HD LYS 91 HD1 LYS 91 11.693 -11.455 -3.878 707 1HE LYS 91 HE2 LYS 91 9.927 -12.124 -2.642 708 2HE LYS 91 HE1 LYS 91 8.764 -11.759 -3.916 709 1HZ LYS 91 HZ1 LYS 91 8.729 -14.068 -3.710 710 2HZ LYS 91 HZ2 LYS 91 10.411 -14.191 -3.579 711 3HZ LYS 91 HZ3 LYS 91 9.706 -13.802 -5.066 712 H LEU 92 HN LEU 92 8.291 -8.191 -8.434 713 HA LEU 92 HA LEU 92 7.968 -8.378 -10.686 714 1HB LEU 92 HB2 LEU 92 10.589 -6.972 -11.044 715 2HB LEU 92 HB1 LEU 92 9.111 -6.796 -11.968 716 HG LEU 92 HG LEU 92 9.282 -4.806 -10.749 717 1HD1 LEU 92 HD11 LEU 92 7.498 -5.003 -8.957 718 2HD1 LEU 92 HD12 LEU 92 7.441 -6.722 -9.346 719 3HD1 LEU 92 HD13 LEU 92 7.051 -5.525 -10.581 720 1HD2 LEU 92 HD21 LEU 92 9.577 -6.086 -8.094 721 2HD2 LEU 92 HD22 LEU 92 10.183 -4.537 -8.680 722 3HD2 LEU 92 HD23 LEU 92 10.994 -6.034 -9.141 723 H ALA 93 HN ALA 93 9.517 -10.542 -9.433 724 HA ALA 93 HA ALA 93 11.224 -11.368 -11.679 725 1HB ALA 93 HB1 ALA 93 12.611 -11.760 -9.953 726 2HB ALA 93 HB2 ALA 93 11.674 -13.245 -9.779 727 3HB ALA 93 HB3 ALA 93 11.296 -11.842 -8.780 728 H LEU 94 HN LEU 94 8.353 -11.449 -11.847 729 HA LEU 94 HA LEU 94 7.934 -14.363 -12.004 730 1HB LEU 94 HB2 LEU 94 6.524 -13.032 -10.332 731 2HB LEU 94 HB1 LEU 94 5.731 -12.334 -11.731 732 HG LEU 94 HG LEU 94 5.625 -15.086 -12.179 733 1HD1 LEU 94 HD11 LEU 94 4.863 -16.124 -10.229 734 2HD1 LEU 94 HD12 LEU 94 4.679 -14.592 -9.376 735 3HD1 LEU 94 HD13 LEU 94 6.290 -15.224 -9.716 736 1HD2 LEU 94 HD21 LEU 94 3.833 -13.753 -12.845 737 2HD2 LEU 94 HD22 LEU 94 3.655 -13.028 -11.247 738 3HD2 LEU 94 HD23 LEU 94 3.175 -14.704 -11.514 739 H GLU 95 HN GLU 95 9.126 -12.686 -14.024 740 HA GLU 95 HA GLU 95 7.047 -12.469 -16.068 741 1HB GLU 95 HB2 GLU 95 9.806 -11.386 -15.743 742 2HB GLU 95 HB1 GLU 95 9.196 -11.616 -17.376 743 1HG GLU 95 HG2 GLU 95 7.614 -9.985 -17.168 744 2HG GLU 95 HG1 GLU 95 7.480 -10.184 -15.421 Start of MODEL 8 1 1H MET 1 HT1 MET 1 20.092 3.034 -1.650 2 2H MET 1 HT2 MET 1 19.240 1.787 -0.835 3 3H MET 1 HT3 MET 1 18.378 3.017 -1.664 4 HA MET 1 HA MET 1 19.551 2.244 -3.712 5 1HB MET 1 HB2 MET 1 20.985 0.782 -1.937 6 2HB MET 1 HB1 MET 1 19.777 -0.405 -2.411 7 1HG MET 1 HG2 MET 1 21.314 1.131 -4.466 8 2HG MET 1 HG1 MET 1 21.995 -0.304 -3.701 9 1HE MET 1 HE1 MET 1 21.161 0.134 -7.060 10 2HE MET 1 HE2 MET 1 21.005 -1.615 -7.224 11 3HE MET 1 HE3 MET 1 22.286 -0.934 -6.220 12 H SER 2 HN SER 2 17.830 0.183 -1.360 13 HA SER 2 HA SER 2 15.606 0.015 -3.285 14 1HB SER 2 HB2 SER 2 16.218 -2.216 -1.366 15 2HB SER 2 HB1 SER 2 15.298 -2.268 -2.870 16 HG SER 2 HG SER 2 17.526 -3.156 -2.875 17 H GLY 3 HN GLY 3 13.725 0.731 -2.530 18 1HA GLY 3 HA2 GLY 3 13.051 0.416 0.283 19 2HA GLY 3 HA1 GLY 3 13.209 2.073 -0.280 20 H LEU 4 HN LEU 4 10.837 1.221 0.769 21 HA LEU 4 HA LEU 4 9.069 1.623 -1.481 22 1HB LEU 4 HB2 LEU 4 9.107 -0.928 0.098 23 2HB LEU 4 HB1 LEU 4 7.617 -0.344 -0.618 24 HG LEU 4 HG LEU 4 9.311 -0.229 -2.755 25 1HD1 LEU 4 HD11 LEU 4 11.182 -1.323 -2.125 26 2HD1 LEU 4 HD12 LEU 4 10.210 -2.744 -2.506 27 3HD1 LEU 4 HD13 LEU 4 10.365 -2.205 -0.835 28 1HD2 LEU 4 HD21 LEU 4 7.894 -1.745 -3.658 29 2HD2 LEU 4 HD22 LEU 4 6.975 -1.406 -2.191 30 3HD2 LEU 4 HD23 LEU 4 8.003 -2.836 -2.277 31 H ARG 5 HN ARG 5 7.068 2.466 -0.891 32 HA ARG 5 HA ARG 5 6.671 2.949 1.986 33 1HB ARG 5 HB2 ARG 5 5.780 5.206 1.371 34 2HB ARG 5 HB1 ARG 5 7.504 5.007 1.089 35 1HG ARG 5 HG2 ARG 5 6.399 4.271 -1.318 36 2HG ARG 5 HG1 ARG 5 5.357 5.590 -0.783 37 1HD ARG 5 HD2 ARG 5 8.355 5.654 -1.097 38 2HD ARG 5 HD1 ARG 5 7.166 6.486 -2.098 39 HE ARG 5 HE ARG 5 6.656 7.467 0.357 40 1HH1 ARG 5 HH11 ARG 5 9.606 7.142 -1.480 41 2HH1 ARG 5 HH12 ARG 5 10.353 8.529 -0.760 42 1HH2 ARG 5 HH21 ARG 5 7.637 9.291 1.303 43 2HH2 ARG 5 HH22 ARG 5 9.236 9.748 0.819 44 H VAL 6 HN VAL 6 4.679 2.555 2.741 45 HA VAL 6 HA VAL 6 2.559 1.997 0.769 46 HB VAL 6 HB VAL 6 2.777 0.797 3.530 47 1HG1 VAL 6 HG11 VAL 6 0.565 1.028 2.053 48 2HG1 VAL 6 HG12 VAL 6 0.885 -0.370 3.079 49 3HG1 VAL 6 HG13 VAL 6 1.215 -0.453 1.349 50 1HG2 VAL 6 HG21 VAL 6 3.627 -0.329 0.865 51 2HG2 VAL 6 HG22 VAL 6 3.442 -1.286 2.334 52 3HG2 VAL 6 HG23 VAL 6 4.650 -0.003 2.264 53 H TYR 7 HN TYR 7 0.876 3.322 0.820 54 HA TYR 7 HA TYR 7 0.583 5.240 2.954 55 1HB TYR 7 HB2 TYR 7 -0.810 4.770 0.332 56 2HB TYR 7 HB1 TYR 7 -1.483 5.885 1.516 57 HD1 TYR 7 HD1 TYR 7 1.169 5.324 -0.918 58 HD2 TYR 7 HD2 TYR 7 -0.286 7.953 2.093 59 HE1 TYR 7 HE1 TYR 7 2.649 7.098 -1.760 60 HE2 TYR 7 HE2 TYR 7 1.189 9.735 1.259 61 HH TYR 7 HH TYR 7 2.321 10.148 -1.281 62 H SER 8 HN SER 8 -1.076 5.405 4.412 63 HA SER 8 HA SER 8 -3.309 3.596 4.375 64 1HB SER 8 HB2 SER 8 -2.049 1.947 5.372 65 2HB SER 8 HB1 SER 8 -0.963 3.095 6.151 66 HG SER 8 HG SER 8 -2.129 2.730 7.855 67 H THR 9 HN THR 9 -4.684 3.893 6.377 68 HA THR 9 HA THR 9 -4.520 6.708 7.227 69 HB THR 9 HB THR 9 -6.505 6.269 5.916 70 HG1 THR 9 HG1 THR 9 -7.362 7.568 7.308 71 1HG2 THR 9 HG21 THR 9 -6.558 3.778 7.321 72 2HG2 THR 9 HG22 THR 9 -7.486 4.292 5.913 73 3HG2 THR 9 HG23 THR 9 -8.087 4.630 7.536 74 H SER 10 HN SER 10 -3.665 6.847 9.197 75 HA SER 10 HA SER 10 -3.794 4.742 11.116 76 1HB SER 10 HB2 SER 10 -1.871 6.088 11.276 77 2HB SER 10 HB1 SER 10 -2.801 7.583 11.190 78 HG SER 10 HG SER 10 -2.166 7.234 13.312 79 H VAL 11 HN VAL 11 -5.458 7.836 10.717 80 HA VAL 11 HA VAL 11 -6.894 7.712 13.164 81 HB VAL 11 HB VAL 11 -7.682 9.214 10.665 82 1HG1 VAL 11 HG11 VAL 11 -9.499 9.535 11.974 83 2HG1 VAL 11 HG12 VAL 11 -8.467 10.765 12.705 84 3HG1 VAL 11 HG13 VAL 11 -8.625 9.181 13.464 85 1HG2 VAL 11 HG21 VAL 11 -6.126 10.788 11.061 86 2HG2 VAL 11 HG22 VAL 11 -5.297 9.501 11.937 87 3HG2 VAL 11 HG23 VAL 11 -6.297 10.661 12.811 88 H THR 12 HN THR 12 -7.511 6.548 9.915 89 HA THR 12 HA THR 12 -9.248 5.398 8.979 90 HB THR 12 HB THR 12 -8.135 3.703 10.414 91 HG1 THR 12 HG1 THR 12 -9.570 2.514 9.485 92 1HG2 THR 12 HG21 THR 12 -10.263 4.465 12.392 93 2HG2 THR 12 HG22 THR 12 -8.515 4.461 12.626 94 3HG2 THR 12 HG23 THR 12 -9.382 2.938 12.437 95 H GLY 13 HN GLY 13 -11.555 4.260 9.942 96 1HA GLY 13 HA2 GLY 13 -13.076 6.000 11.596 97 2HA GLY 13 HA1 GLY 13 -13.374 6.351 9.901 98 H SER 14 HN SER 14 -13.338 3.864 8.765 99 HA SER 14 HA SER 14 -15.879 2.828 9.642 100 1HB SER 14 HB2 SER 14 -14.357 2.814 7.222 101 2HB SER 14 HB1 SER 14 -14.727 1.144 7.652 102 HG SER 14 HG SER 14 -16.528 3.286 7.235 103 H ARG 15 HN ARG 15 -15.698 0.136 9.102 104 HA ARG 15 HA ARG 15 -14.001 -0.796 11.295 105 1HB ARG 15 HB2 ARG 15 -16.545 -1.961 10.197 106 2HB ARG 15 HB1 ARG 15 -15.586 -2.705 11.470 107 1HG ARG 15 HG2 ARG 15 -15.941 -0.640 12.833 108 2HG ARG 15 HG1 ARG 15 -17.067 -0.089 11.591 109 1HD ARG 15 HD2 ARG 15 -18.602 -1.137 12.856 110 2HD ARG 15 HD1 ARG 15 -18.004 -2.586 12.049 111 HE ARG 15 HE ARG 15 -16.464 -2.052 14.356 112 1HH1 ARG 15 HH11 ARG 15 -19.609 -3.217 13.391 113 2HH1 ARG 15 HH12 ARG 15 -19.823 -4.187 14.808 114 1HH2 ARG 15 HH21 ARG 15 -16.743 -3.328 16.221 115 2HH2 ARG 15 HH22 ARG 15 -18.197 -4.250 16.416 116 H GLU 16 HN GLU 16 -14.444 -0.928 8.044 117 HA GLU 16 HA GLU 16 -13.011 -3.460 7.708 118 1HB GLU 16 HB2 GLU 16 -14.224 -1.750 5.535 119 2HB GLU 16 HB1 GLU 16 -13.698 -3.423 5.412 120 1HG GLU 16 HG2 GLU 16 -15.620 -4.215 6.225 121 2HG GLU 16 HG1 GLU 16 -15.726 -2.965 7.464 122 H ILE 17 HN ILE 17 -12.748 -0.020 7.225 123 HA ILE 17 HA ILE 17 -10.520 0.069 5.534 124 HB ILE 17 HB ILE 17 -11.266 2.034 7.706 125 1HG1 ILE 17 HG12 ILE 17 -13.107 1.581 6.115 126 2HG1 ILE 17 HG11 ILE 17 -12.496 3.226 5.975 127 1HG2 ILE 17 HG21 ILE 17 -9.595 3.339 7.023 128 2HG2 ILE 17 HG22 ILE 17 -10.037 3.134 5.329 129 3HG2 ILE 17 HG23 ILE 17 -8.987 1.955 6.114 130 1HD1 ILE 17 HD11 ILE 17 -11.768 0.947 4.153 131 2HD1 ILE 17 HD12 ILE 17 -11.254 2.626 3.992 132 3HD1 ILE 17 HD13 ILE 17 -12.955 2.203 3.801 133 H LYS 18 HN LYS 18 -10.796 -0.408 8.993 134 HA LYS 18 HA LYS 18 -8.087 0.034 9.661 135 1HB LYS 18 HB2 LYS 18 -10.041 -1.790 11.069 136 2HB LYS 18 HB1 LYS 18 -8.596 -1.061 11.756 137 1HG LYS 18 HG2 LYS 18 -9.562 1.004 11.959 138 2HG LYS 18 HG1 LYS 18 -10.705 0.719 10.645 139 1HD LYS 18 HD2 LYS 18 -12.154 -0.480 11.989 140 2HD LYS 18 HD1 LYS 18 -10.891 -0.907 13.145 141 1HE LYS 18 HE2 LYS 18 -10.798 1.512 13.795 142 2HE LYS 18 HE1 LYS 18 -12.220 1.772 12.785 143 1HZ LYS 18 HZ1 LYS 18 -11.998 0.477 15.377 144 2HZ LYS 18 HZ2 LYS 18 -13.055 -0.255 14.279 145 3HZ LYS 18 HZ3 LYS 18 -13.278 1.364 14.714 146 H SER 19 HN SER 19 -9.862 -2.815 8.599 147 HA SER 19 HA SER 19 -7.785 -4.686 9.063 148 1HB SER 19 HB2 SER 19 -10.001 -5.538 8.827 149 2HB SER 19 HB1 SER 19 -10.215 -4.739 7.269 150 HG SER 19 HG SER 19 -8.308 -6.779 7.773 151 H GLN 20 HN GLN 20 -8.510 -2.496 6.451 152 HA GLN 20 HA GLN 20 -7.015 -3.661 4.399 153 1HB GLN 20 HB2 GLN 20 -7.343 -0.697 4.876 154 2HB GLN 20 HB1 GLN 20 -7.034 -1.498 3.342 155 1HG GLN 20 HG2 GLN 20 -9.545 -1.630 4.991 156 2HG GLN 20 HG1 GLN 20 -9.330 -0.847 3.426 157 1HE2 GLN 20 HE21 GLN 20 -11.100 -3.062 4.413 158 2HE2 GLN 20 HE22 GLN 20 -10.856 -4.347 3.284 159 H GLN 21 HN GLN 21 -6.036 -1.731 7.146 160 HA GLN 21 HA GLN 21 -3.330 -1.400 6.170 161 1HB GLN 21 HB2 GLN 21 -4.321 -0.821 8.958 162 2HB GLN 21 HB1 GLN 21 -2.930 -0.126 8.138 163 1HG GLN 21 HG2 GLN 21 -4.293 1.178 6.722 164 2HG GLN 21 HG1 GLN 21 -5.745 0.293 7.186 165 1HE2 GLN 21 HE21 GLN 21 -7.016 1.340 8.522 166 2HE2 GLN 21 HE22 GLN 21 -6.530 2.513 9.693 167 H SER 22 HN SER 22 -4.906 -3.105 8.869 168 HA SER 22 HA SER 22 -2.610 -4.372 9.854 169 1HB SER 22 HB2 SER 22 -5.541 -4.772 10.126 170 2HB SER 22 HB1 SER 22 -4.511 -6.136 10.562 171 HG SER 22 HG SER 22 -4.250 -5.116 12.374 172 H GLU 23 HN GLU 23 -4.723 -5.158 7.192 173 HA GLU 23 HA GLU 23 -3.824 -7.847 6.862 174 1HB GLU 23 HB2 GLU 23 -6.008 -6.891 6.015 175 2HB GLU 23 HB1 GLU 23 -5.080 -6.084 4.759 176 1HG GLU 23 HG2 GLU 23 -5.934 -8.045 3.787 177 2HG GLU 23 HG1 GLU 23 -4.225 -8.356 4.091 178 H VAL 24 HN VAL 24 -3.210 -4.869 4.994 179 HA VAL 24 HA VAL 24 -1.275 -5.957 3.287 180 HB VAL 24 HB VAL 24 -1.422 -3.089 4.226 181 1HG1 VAL 24 HG11 VAL 24 -0.312 -2.537 2.172 182 2HG1 VAL 24 HG12 VAL 24 -0.376 -4.215 1.632 183 3HG1 VAL 24 HG13 VAL 24 0.639 -3.768 3.004 184 1HG2 VAL 24 HG21 VAL 24 -2.629 -3.830 1.650 185 2HG2 VAL 24 HG22 VAL 24 -3.188 -2.701 2.885 186 3HG2 VAL 24 HG23 VAL 24 -3.476 -4.431 3.075 187 H THR 25 HN THR 25 -1.011 -4.556 6.501 188 HA THR 25 HA THR 25 1.846 -4.472 6.517 189 HB THR 25 HB THR 25 1.605 -4.011 8.919 190 HG1 THR 25 HG1 THR 25 -1.159 -4.473 8.490 191 1HG2 THR 25 HG21 THR 25 1.343 -2.002 7.880 192 2HG2 THR 25 HG22 THR 25 -0.217 -2.140 8.693 193 3HG2 THR 25 HG23 THR 25 -0.079 -2.526 6.978 194 H ARG 26 HN ARG 26 -0.592 -6.797 7.493 195 HA ARG 26 HA ARG 26 1.063 -8.504 9.001 196 1HB ARG 26 HB2 ARG 26 -1.388 -8.623 9.062 197 2HB ARG 26 HB1 ARG 26 -1.409 -9.173 7.392 198 1HG ARG 26 HG2 ARG 26 -0.730 -11.276 7.927 199 2HG ARG 26 HG1 ARG 26 0.189 -10.741 9.336 200 1HD ARG 26 HD2 ARG 26 -1.854 -10.407 10.585 201 2HD ARG 26 HD1 ARG 26 -2.822 -10.806 9.166 202 HE ARG 26 HE ARG 26 -1.288 -13.012 9.529 203 1HH1 ARG 26 HH11 ARG 26 -3.410 -11.189 11.616 204 2HH1 ARG 26 HH12 ARG 26 -3.852 -12.561 12.574 205 1HH2 ARG 26 HH21 ARG 26 -1.869 -14.819 10.788 206 2HH2 ARG 26 HH22 ARG 26 -2.977 -14.622 12.105 207 H ILE 27 HN ILE 27 0.317 -8.367 5.554 208 HA ILE 27 HA ILE 27 1.709 -10.765 4.887 209 HB ILE 27 HB ILE 27 1.053 -8.466 3.045 210 1HG1 ILE 27 HG12 ILE 27 -0.656 -10.912 3.385 211 2HG1 ILE 27 HG11 ILE 27 -0.866 -9.530 4.455 212 1HG2 ILE 27 HG21 ILE 27 2.087 -11.201 2.684 213 2HG2 ILE 27 HG22 ILE 27 2.313 -9.759 1.694 214 3HG2 ILE 27 HG23 ILE 27 0.826 -10.698 1.558 215 1HD1 ILE 27 HD11 ILE 27 -2.442 -9.264 2.743 216 2HD1 ILE 27 HD12 ILE 27 -1.269 -9.662 1.488 217 3HD1 ILE 27 HD13 ILE 27 -1.142 -8.135 2.362 218 H LEU 28 HN LEU 28 2.492 -7.318 4.412 219 HA LEU 28 HA LEU 28 5.070 -7.714 3.388 220 1HB LEU 28 HB2 LEU 28 3.930 -5.380 4.924 221 2HB LEU 28 HB1 LEU 28 5.468 -5.354 4.084 222 HG LEU 28 HG LEU 28 2.868 -5.920 2.674 223 1HD1 LEU 28 HD11 LEU 28 2.549 -3.683 2.214 224 2HD1 LEU 28 HD12 LEU 28 4.216 -3.257 2.598 225 3HD1 LEU 28 HD13 LEU 28 3.083 -3.636 3.894 226 1HD2 LEU 28 HD21 LEU 28 5.672 -5.283 1.821 227 2HD2 LEU 28 HD22 LEU 28 4.297 -5.010 0.751 228 3HD2 LEU 28 HD23 LEU 28 4.647 -6.635 1.340 229 H ASP 29 HN ASP 29 3.967 -7.130 6.710 230 HA ASP 29 HA ASP 29 6.486 -7.050 7.929 231 1HB ASP 29 HB2 ASP 29 4.319 -6.380 8.996 232 2HB ASP 29 HB1 ASP 29 3.929 -8.090 9.165 233 H GLY 30 HN GLY 30 4.251 -9.779 7.453 234 1HA GLY 30 HA2 GLY 30 5.791 -11.746 8.714 235 2HA GLY 30 HA1 GLY 30 4.616 -12.045 7.442 236 H LYS 31 HN LYS 31 6.065 -10.331 5.535 237 HA LYS 31 HA LYS 31 7.851 -12.342 4.526 238 1HB LYS 31 HB2 LYS 31 6.939 -9.656 3.532 239 2HB LYS 31 HB1 LYS 31 8.227 -10.536 2.720 240 1HG LYS 31 HG2 LYS 31 6.820 -12.068 1.849 241 2HG LYS 31 HG1 LYS 31 5.756 -12.053 3.257 242 1HD LYS 31 HD2 LYS 31 4.403 -11.045 1.703 243 2HD LYS 31 HD1 LYS 31 5.196 -9.630 2.400 244 1HE LYS 31 HE2 LYS 31 6.850 -9.699 0.566 245 2HE LYS 31 HE1 LYS 31 5.969 -11.051 -0.146 246 1HZ LYS 31 HZ1 LYS 31 5.191 -8.223 0.043 247 2HZ LYS 31 HZ2 LYS 31 3.985 -9.407 -0.025 248 3HZ LYS 31 HZ3 LYS 31 5.108 -9.273 -1.282 249 H ARG 32 HN ARG 32 8.213 -9.784 6.678 250 HA ARG 32 HA ARG 32 10.033 -8.908 7.722 251 1HB ARG 32 HB2 ARG 32 11.767 -10.702 6.027 252 2HB ARG 32 HB1 ARG 32 12.143 -10.007 7.598 253 1HG ARG 32 HG2 ARG 32 9.847 -11.897 7.289 254 2HG ARG 32 HG1 ARG 32 11.499 -12.499 7.441 255 1HD ARG 32 HD2 ARG 32 11.655 -11.006 9.512 256 2HD ARG 32 HD1 ARG 32 9.899 -10.893 9.410 257 HE ARG 32 HE ARG 32 11.440 -13.143 10.299 258 1HH1 ARG 32 HH11 ARG 32 8.408 -12.154 8.883 259 2HH1 ARG 32 HH12 ARG 32 7.550 -13.552 9.437 260 1HH2 ARG 32 HH21 ARG 32 10.313 -14.983 11.028 261 2HH2 ARG 32 HH22 ARG 32 8.631 -15.158 10.656 262 H ILE 33 HN ILE 33 8.960 -7.567 5.553 263 HA ILE 33 HA ILE 33 11.192 -6.636 3.932 264 HB ILE 33 HB ILE 33 8.319 -5.712 3.850 265 1HG1 ILE 33 HG12 ILE 33 9.711 -7.847 2.218 266 2HG1 ILE 33 HG11 ILE 33 8.434 -8.113 3.401 267 1HG2 ILE 33 HG21 ILE 33 10.660 -5.362 1.993 268 2HG2 ILE 33 HG22 ILE 33 9.719 -4.112 2.807 269 3HG2 ILE 33 HG23 ILE 33 8.992 -5.059 1.509 270 1HD1 ILE 33 HD11 ILE 33 6.823 -7.580 1.951 271 2HD1 ILE 33 HD12 ILE 33 8.061 -7.861 0.726 272 3HD1 ILE 33 HD13 ILE 33 7.732 -6.222 1.288 273 H GLN 34 HN GLN 34 11.591 -4.345 3.700 274 HA GLN 34 HA GLN 34 11.324 -2.946 6.268 275 1HB GLN 34 HB2 GLN 34 13.211 -2.282 4.006 276 2HB GLN 34 HB1 GLN 34 13.263 -1.668 5.653 277 1HG GLN 34 HG2 GLN 34 14.774 -3.255 6.019 278 2HG GLN 34 HG1 GLN 34 13.410 -4.373 6.032 279 1HE2 GLN 34 HE21 GLN 34 13.012 -5.650 4.223 280 2HE2 GLN 34 HE22 GLN 34 14.201 -5.898 2.995 281 H TYR 35 HN TYR 35 9.162 -3.035 4.395 282 HA TYR 35 HA TYR 35 8.989 -0.751 2.777 283 1HB TYR 35 HB2 TYR 35 6.620 -1.177 2.686 284 2HB TYR 35 HB1 TYR 35 7.459 -2.724 2.673 285 HD1 TYR 35 HD1 TYR 35 5.045 -0.662 4.363 286 HD2 TYR 35 HD2 TYR 35 7.553 -4.069 4.810 287 HE1 TYR 35 HE1 TYR 35 3.695 -1.396 6.282 288 HE2 TYR 35 HE2 TYR 35 6.209 -4.814 6.730 289 HH TYR 35 HH TYR 35 3.189 -3.386 7.525 290 H GLN 36 HN GLN 36 7.754 1.185 3.094 291 HA GLN 36 HA GLN 36 8.021 2.217 5.817 292 1HB GLN 36 HB2 GLN 36 8.608 3.299 3.322 293 2HB GLN 36 HB1 GLN 36 7.133 4.126 3.802 294 1HG GLN 36 HG2 GLN 36 8.765 4.128 6.069 295 2HG GLN 36 HG1 GLN 36 9.827 4.507 4.714 296 1HE2 GLN 36 HE21 GLN 36 8.392 6.002 7.035 297 2HE2 GLN 36 HE22 GLN 36 7.817 7.436 6.261 298 H LEU 37 HN LEU 37 6.226 4.081 6.170 299 HA LEU 37 HA LEU 37 3.604 3.030 5.432 300 1HB LEU 37 HB2 LEU 37 4.428 2.232 7.725 301 2HB LEU 37 HB1 LEU 37 4.199 3.887 8.249 302 HG LEU 37 HG LEU 37 1.877 2.689 6.889 303 1HD1 LEU 37 HD11 LEU 37 1.249 1.544 9.091 304 2HD1 LEU 37 HD12 LEU 37 2.977 1.567 9.442 305 3HD1 LEU 37 HD13 LEU 37 2.377 0.712 8.021 306 1HD2 LEU 37 HD21 LEU 37 1.756 4.885 7.885 307 2HD2 LEU 37 HD22 LEU 37 2.278 4.242 9.442 308 3HD2 LEU 37 HD23 LEU 37 0.713 3.776 8.775 309 H VAL 38 HN VAL 38 3.701 4.832 4.017 310 HA VAL 38 HA VAL 38 3.857 7.487 5.109 311 HB VAL 38 HB VAL 38 2.988 8.104 2.734 312 1HG1 VAL 38 HG11 VAL 38 5.673 6.888 3.329 313 2HG1 VAL 38 HG12 VAL 38 5.217 8.592 3.341 314 3HG1 VAL 38 HG13 VAL 38 5.311 7.715 1.814 315 1HG2 VAL 38 HG21 VAL 38 3.292 6.479 1.021 316 2HG2 VAL 38 HG22 VAL 38 2.254 5.753 2.246 317 3HG2 VAL 38 HG23 VAL 38 3.958 5.310 2.159 318 H ASP 39 HN ASP 39 2.216 7.234 6.680 319 HA ASP 39 HA ASP 39 -0.524 6.882 5.871 320 1HB ASP 39 HB2 ASP 39 0.949 7.182 8.400 321 2HB ASP 39 HB1 ASP 39 -0.656 7.907 8.409 322 H ILE 40 HN ILE 40 -1.653 8.400 4.888 323 HA ILE 40 HA ILE 40 -0.867 11.136 4.825 324 HB ILE 40 HB ILE 40 -2.952 11.507 3.564 325 1HG1 ILE 40 HG12 ILE 40 -3.449 8.562 4.055 326 2HG1 ILE 40 HG11 ILE 40 -4.353 9.879 4.797 327 1HG2 ILE 40 HG21 ILE 40 -1.969 10.746 1.707 328 2HG2 ILE 40 HG22 ILE 40 -2.039 9.069 2.249 329 3HG2 ILE 40 HG23 ILE 40 -0.722 10.113 2.782 330 1HD1 ILE 40 HD11 ILE 40 -4.694 10.534 2.239 331 2HD1 ILE 40 HD12 ILE 40 -5.762 9.422 3.096 332 3HD1 ILE 40 HD13 ILE 40 -4.484 8.792 2.057 333 H SER 41 HN SER 41 -2.771 9.308 6.994 334 HA SER 41 HA SER 41 -4.643 11.200 7.857 335 1HB SER 41 HB2 SER 41 -3.349 8.816 9.139 336 2HB SER 41 HB1 SER 41 -4.382 9.873 10.100 337 HG SER 41 HG SER 41 -5.119 8.560 7.693 338 H GLN 42 HN GLN 42 -1.237 10.926 8.430 339 HA GLN 42 HA GLN 42 -0.974 12.399 10.788 340 1HB GLN 42 HB2 GLN 42 0.841 11.105 9.682 341 2HB GLN 42 HB1 GLN 42 0.934 12.349 8.445 342 1HG GLN 42 HG2 GLN 42 1.266 13.913 10.545 343 2HG GLN 42 HG1 GLN 42 1.828 12.409 11.272 344 1HE2 GLN 42 HE21 GLN 42 3.242 11.148 9.508 345 2HE2 GLN 42 HE22 GLN 42 4.544 12.096 8.884 346 H ASP 43 HN ASP 43 -0.292 13.624 7.511 347 HA ASP 43 HA ASP 43 -1.206 16.275 8.419 348 1HB ASP 43 HB2 ASP 43 1.281 15.767 7.636 349 2HB ASP 43 HB1 ASP 43 0.572 15.991 6.040 350 H ASN 44 HN ASN 44 -2.644 17.410 7.191 351 HA ASN 44 HA ASN 44 -4.377 15.986 5.493 352 1HB ASN 44 HB2 ASN 44 -4.041 18.970 5.863 353 2HB ASN 44 HB1 ASN 44 -5.385 18.210 5.015 354 1HD2 ASN 44 HD21 ASN 44 -6.998 18.818 6.356 355 2HD2 ASN 44 HD22 ASN 44 -7.134 18.307 8.001 356 H ALA 45 HN ALA 45 -1.453 17.720 4.871 357 HA ALA 45 HA ALA 45 -1.861 18.314 2.138 358 1HB ALA 45 HB1 ALA 45 0.807 18.110 2.258 359 2HB ALA 45 HB2 ALA 45 0.448 18.236 3.981 360 3HB ALA 45 HB3 ALA 45 -0.082 19.503 2.874 361 H LEU 46 HN LEU 46 -0.722 15.461 3.826 362 HA LEU 46 HA LEU 46 0.341 14.084 1.614 363 1HB LEU 46 HB2 LEU 46 -0.690 13.273 4.299 364 2HB LEU 46 HB1 LEU 46 -0.343 12.035 3.107 365 HG LEU 46 HG LEU 46 1.752 14.070 3.739 366 1HD1 LEU 46 HD11 LEU 46 1.476 11.548 5.337 367 2HD1 LEU 46 HD12 LEU 46 0.769 13.071 5.878 368 3HD1 LEU 46 HD13 LEU 46 2.512 12.943 5.638 369 1HD2 LEU 46 HD21 LEU 46 1.743 12.160 1.922 370 2HD2 LEU 46 HD22 LEU 46 2.221 11.167 3.299 371 3HD2 LEU 46 HD23 LEU 46 3.202 12.555 2.830 372 H ARG 47 HN ARG 47 -2.916 14.537 2.762 373 HA ARG 47 HA ARG 47 -4.124 12.424 1.302 374 1HB ARG 47 HB2 ARG 47 -5.002 14.042 3.254 375 2HB ARG 47 HB1 ARG 47 -5.688 14.885 1.871 376 1HG ARG 47 HG2 ARG 47 -7.142 13.200 1.385 377 2HG ARG 47 HG1 ARG 47 -6.090 11.950 2.053 378 1HD ARG 47 HD2 ARG 47 -6.761 12.369 4.233 379 2HD ARG 47 HD1 ARG 47 -7.325 13.996 3.851 380 HE ARG 47 HE ARG 47 -8.938 12.294 2.412 381 1HH1 ARG 47 HH11 ARG 47 -8.166 12.783 5.780 382 2HH1 ARG 47 HH12 ARG 47 -9.714 12.246 6.342 383 1HH2 ARG 47 HH21 ARG 47 -10.974 11.588 3.149 384 2HH2 ARG 47 HH22 ARG 47 -11.308 11.567 4.848 385 H ASP 48 HN ASP 48 -3.813 15.913 0.664 386 HA ASP 48 HA ASP 48 -4.904 15.602 -1.981 387 1HB ASP 48 HB2 ASP 48 -4.891 17.691 -0.248 388 2HB ASP 48 HB1 ASP 48 -3.567 18.140 -1.319 389 H GLU 49 HN GLU 49 -2.055 14.858 -0.753 390 HA GLU 49 HA GLU 49 -0.467 15.736 -3.053 391 1HB GLU 49 HB2 GLU 49 0.492 16.150 -0.823 392 2HB GLU 49 HB1 GLU 49 0.415 14.429 -0.471 393 1HG GLU 49 HG2 GLU 49 2.567 14.511 -1.120 394 2HG GLU 49 HG1 GLU 49 1.848 14.334 -2.720 395 H MET 50 HN MET 50 -1.796 12.937 -1.470 396 HA MET 50 HA MET 50 -0.366 11.041 -3.113 397 1HB MET 50 HB2 MET 50 -1.211 10.675 -0.710 398 2HB MET 50 HB1 MET 50 -2.795 10.442 -1.437 399 1HG MET 50 HG2 MET 50 -0.398 8.860 -2.299 400 2HG MET 50 HG1 MET 50 -1.413 8.371 -0.943 401 1HE MET 50 HE1 MET 50 -2.286 5.922 -3.865 402 2HE MET 50 HE2 MET 50 -1.051 6.314 -2.669 403 3HE MET 50 HE3 MET 50 -0.925 6.953 -4.308 404 H ARG 51 HN ARG 51 -3.636 12.374 -2.921 405 HA ARG 51 HA ARG 51 -4.782 10.782 -4.942 406 1HB ARG 51 HB2 ARG 51 -5.491 13.277 -3.520 407 2HB ARG 51 HB1 ARG 51 -6.241 13.060 -5.095 408 1HG ARG 51 HG2 ARG 51 -7.795 12.084 -3.734 409 2HG ARG 51 HG1 ARG 51 -6.811 10.684 -4.165 410 1HD ARG 51 HD2 ARG 51 -5.621 10.808 -2.084 411 2HD ARG 51 HD1 ARG 51 -6.411 12.329 -1.672 412 HE ARG 51 HE ARG 51 -7.473 9.685 -1.350 413 1HH1 ARG 51 HH11 ARG 51 -8.299 13.046 -1.795 414 2HH1 ARG 51 HH12 ARG 51 -9.864 12.887 -1.071 415 1HH2 ARG 51 HH21 ARG 51 -9.531 9.473 -0.398 416 2HH2 ARG 51 HH22 ARG 51 -10.563 10.859 -0.277 417 H ALA 52 HN ALA 52 -2.832 13.672 -5.031 418 HA ALA 52 HA ALA 52 -3.388 14.317 -7.765 419 1HB ALA 52 HB1 ALA 52 -2.455 15.807 -5.813 420 2HB ALA 52 HB2 ALA 52 -1.991 16.113 -7.487 421 3HB ALA 52 HB3 ALA 52 -0.898 15.238 -6.415 422 H LEU 53 HN LEU 53 -0.438 13.103 -6.156 423 HA LEU 53 HA LEU 53 0.945 12.487 -8.512 424 1HB LEU 53 HB2 LEU 53 2.466 11.253 -7.145 425 2HB LEU 53 HB1 LEU 53 1.961 12.674 -6.251 426 HG LEU 53 HG LEU 53 0.193 10.993 -5.229 427 1HD1 LEU 53 HD11 LEU 53 2.302 8.987 -5.276 428 2HD1 LEU 53 HD12 LEU 53 1.567 9.255 -6.857 429 3HD1 LEU 53 HD13 LEU 53 0.560 8.807 -5.480 430 1HD2 LEU 53 HD21 LEU 53 2.060 12.286 -4.110 431 2HD2 LEU 53 HD22 LEU 53 3.056 10.846 -4.323 432 3HD2 LEU 53 HD23 LEU 53 1.592 10.768 -3.343 433 H ALA 54 HN ALA 54 -1.462 10.719 -6.716 434 HA ALA 54 HA ALA 54 -0.994 8.202 -7.995 435 1HB ALA 54 HB1 ALA 54 -1.985 8.211 -5.814 436 2HB ALA 54 HB2 ALA 54 -3.162 7.563 -6.957 437 3HB ALA 54 HB3 ALA 54 -3.319 9.220 -6.373 438 H GLY 55 HN GLY 55 -2.625 11.077 -8.897 439 1HA GLY 55 HA2 GLY 55 -3.821 11.623 -10.779 440 2HA GLY 55 HA1 GLY 55 -3.252 10.110 -11.472 441 H ASN 56 HN ASN 56 -5.294 10.696 -8.631 442 HA ASN 56 HA ASN 56 -7.763 10.120 -9.791 443 1HB ASN 56 HB2 ASN 56 -6.780 7.876 -10.187 444 2HB ASN 56 HB1 ASN 56 -6.494 7.715 -8.458 445 1HD2 ASN 56 HD21 ASN 56 -7.940 6.545 -7.451 446 2HD2 ASN 56 HD22 ASN 56 -9.606 6.380 -7.880 447 HA PRO 57 HA PRO 57 -8.367 11.605 -5.673 448 1HB PRO 57 HB2 PRO 57 -10.735 12.864 -6.542 449 2HB PRO 57 HB1 PRO 57 -9.151 13.601 -6.349 450 1HG PRO 57 HG2 PRO 57 -10.512 13.254 -8.749 451 2HG PRO 57 HG1 PRO 57 -8.781 13.596 -8.578 452 1HD PRO 57 HD2 PRO 57 -10.168 10.996 -9.039 453 2HD PRO 57 HD1 PRO 57 -8.612 11.584 -9.668 454 H LYS 58 HN LYS 58 -9.459 8.998 -6.828 455 HA LYS 58 HA LYS 58 -11.789 8.794 -5.047 456 1HB LYS 58 HB2 LYS 58 -12.539 8.636 -7.348 457 2HB LYS 58 HB1 LYS 58 -11.329 7.408 -7.693 458 1HG LYS 58 HG2 LYS 58 -12.436 5.820 -6.306 459 2HG LYS 58 HG1 LYS 58 -13.543 7.049 -5.691 460 1HD LYS 58 HD2 LYS 58 -14.929 6.258 -7.278 461 2HD LYS 58 HD1 LYS 58 -13.963 7.261 -8.363 462 1HE LYS 58 HE2 LYS 58 -14.134 5.096 -9.346 463 2HE LYS 58 HE1 LYS 58 -12.487 5.279 -8.744 464 1HZ LYS 58 HZ1 LYS 58 -13.032 3.202 -7.987 465 2HZ LYS 58 HZ2 LYS 58 -14.659 3.584 -7.725 466 3HZ LYS 58 HZ3 LYS 58 -13.477 4.136 -6.648 467 H ALA 59 HN ALA 59 -8.642 7.880 -5.527 468 HA ALA 59 HA ALA 59 -8.578 5.150 -4.974 469 1HB ALA 59 HB1 ALA 59 -6.460 6.855 -3.796 470 2HB ALA 59 HB2 ALA 59 -6.697 6.945 -5.541 471 3HB ALA 59 HB3 ALA 59 -6.327 5.397 -4.779 472 H THR 60 HN THR 60 -7.017 4.847 -2.689 473 HA THR 60 HA THR 60 -8.641 5.815 -0.461 474 HB THR 60 HB THR 60 -9.085 3.656 0.421 475 HG1 THR 60 HG1 THR 60 -7.478 2.582 -1.652 476 1HG2 THR 60 HG21 THR 60 -9.532 3.525 -2.548 477 2HG2 THR 60 HG22 THR 60 -10.646 4.153 -1.333 478 3HG2 THR 60 HG23 THR 60 -10.253 2.434 -1.365 479 HA PRO 61 HA PRO 61 -4.999 6.174 1.973 480 1HB PRO 61 HB2 PRO 61 -6.018 4.048 3.801 481 2HB PRO 61 HB1 PRO 61 -5.422 5.667 4.179 482 1HG PRO 61 HG2 PRO 61 -8.031 5.149 4.204 483 2HG PRO 61 HG1 PRO 61 -7.416 6.688 3.573 484 1HD PRO 61 HD2 PRO 61 -8.455 4.313 2.102 485 2HD PRO 61 HD1 PRO 61 -8.597 6.037 1.706 486 HA PRO 62 HA PRO 62 -3.299 1.636 2.067 487 1HB PRO 62 HB2 PRO 62 -4.815 -0.278 0.861 488 2HB PRO 62 HB1 PRO 62 -4.908 0.088 2.587 489 1HG PRO 62 HG2 PRO 62 -6.692 0.987 0.359 490 2HG PRO 62 HG1 PRO 62 -7.126 0.424 1.984 491 1HD PRO 62 HD2 PRO 62 -7.077 3.039 1.331 492 2HD PRO 62 HD1 PRO 62 -6.654 2.462 2.954 493 H GLN 63 HN GLN 63 -2.073 2.877 0.511 494 HA GLN 63 HA GLN 63 -2.309 1.767 -2.198 495 1HB GLN 63 HB2 GLN 63 -1.900 4.676 -1.492 496 2HB GLN 63 HB1 GLN 63 -1.644 4.013 -3.100 497 1HG GLN 63 HG2 GLN 63 -4.265 3.562 -1.773 498 2HG GLN 63 HG1 GLN 63 -3.908 5.157 -2.435 499 1HE2 GLN 63 HE21 GLN 63 -5.924 3.304 -3.300 500 2HE2 GLN 63 HE22 GLN 63 -5.579 2.915 -4.947 501 H ILE 64 HN ILE 64 -0.474 0.876 -2.849 502 HA ILE 64 HA ILE 64 1.937 1.237 -1.292 503 HB ILE 64 HB ILE 64 1.577 -0.452 -3.764 504 1HG1 ILE 64 HG12 ILE 64 1.554 -2.151 -1.577 505 2HG1 ILE 64 HG11 ILE 64 0.557 -0.800 -1.046 506 1HG2 ILE 64 HG21 ILE 64 3.637 -0.349 -1.582 507 2HG2 ILE 64 HG22 ILE 64 3.871 -0.211 -3.325 508 3HG2 ILE 64 HG23 ILE 64 3.432 -1.764 -2.614 509 1HD1 ILE 64 HD11 ILE 64 -0.885 -2.397 -2.019 510 2HD1 ILE 64 HD12 ILE 64 0.146 -2.564 -3.440 511 3HD1 ILE 64 HD13 ILE 64 -0.749 -1.069 -3.171 512 H VAL 65 HN VAL 65 3.995 1.759 -2.224 513 HA VAL 65 HA VAL 65 4.082 2.997 -4.835 514 HB VAL 65 HB VAL 65 4.547 4.654 -2.352 515 1HG1 VAL 65 HG11 VAL 65 5.769 4.879 -4.881 516 2HG1 VAL 65 HG12 VAL 65 5.831 6.020 -3.539 517 3HG1 VAL 65 HG13 VAL 65 4.579 6.175 -4.772 518 1HG2 VAL 65 HG21 VAL 65 2.229 4.573 -2.724 519 2HG2 VAL 65 HG22 VAL 65 2.422 4.684 -4.474 520 3HG2 VAL 65 HG23 VAL 65 2.756 6.087 -3.460 521 H ASN 66 HN ASN 66 6.111 3.021 -5.682 522 HA ASN 66 HA ASN 66 8.225 1.850 -4.012 523 1HB ASN 66 HB2 ASN 66 7.386 1.474 -6.780 524 2HB ASN 66 HB1 ASN 66 9.116 1.769 -6.641 525 1HD2 ASN 66 HD21 ASN 66 10.238 0.451 -4.958 526 2HD2 ASN 66 HD22 ASN 66 9.758 -1.201 -4.799 527 H GLY 67 HN GLY 67 8.682 3.949 -3.073 528 1HA GLY 67 HA2 GLY 67 10.364 5.567 -2.931 529 2HA GLY 67 HA1 GLY 67 10.672 5.368 -4.648 530 H ASP 68 HN ASP 68 9.056 6.292 -6.138 531 HA ASP 68 HA ASP 68 7.343 8.366 -5.050 532 1HB ASP 68 HB2 ASP 68 9.761 8.964 -6.752 533 2HB ASP 68 HB1 ASP 68 8.397 10.072 -6.631 534 H GLN 69 HN GLN 69 6.833 5.949 -6.474 535 HA GLN 69 HA GLN 69 5.534 7.086 -8.847 536 1HB GLN 69 HB2 GLN 69 7.573 5.011 -8.792 537 2HB GLN 69 HB1 GLN 69 6.095 4.458 -9.564 538 1HG GLN 69 HG2 GLN 69 6.293 6.756 -10.827 539 2HG GLN 69 HG1 GLN 69 7.994 6.583 -10.396 540 1HE2 GLN 69 HE21 GLN 69 8.552 4.022 -10.673 541 2HE2 GLN 69 HE22 GLN 69 8.259 3.469 -12.283 542 H TYR 70 HN TYR 70 3.713 5.772 -9.616 543 HA TYR 70 HA TYR 70 2.147 4.850 -7.382 544 1HB TYR 70 HB2 TYR 70 1.394 6.184 -9.517 545 2HB TYR 70 HB1 TYR 70 1.248 4.579 -10.223 546 HD1 TYR 70 HD1 TYR 70 -1.043 4.230 -10.443 547 HD2 TYR 70 HD2 TYR 70 0.481 5.710 -6.756 548 HE1 TYR 70 HE1 TYR 70 -3.270 3.984 -9.430 549 HE2 TYR 70 HE2 TYR 70 -1.742 5.465 -5.733 550 HH TYR 70 HH TYR 70 -4.559 4.830 -7.585 551 H CYS 71 HN CYS 71 2.824 2.920 -6.614 552 HA CYS 71 HA CYS 71 3.575 0.762 -8.363 553 1HB CYS 71 HB2 CYS 71 4.381 1.331 -5.914 554 2HB CYS 71 HB1 CYS 71 2.999 0.339 -5.460 555 HG CYS 71 HG CYS 71 4.708 -1.441 -5.649 556 H GLY 72 HN GLY 72 0.958 1.186 -5.958 557 1HA GLY 72 HA2 GLY 72 -1.121 0.275 -7.533 558 2HA GLY 72 HA1 GLY 72 -0.423 -1.161 -6.801 559 H ASP 73 HN ASP 73 -2.746 -1.160 -5.993 560 HA ASP 73 HA ASP 73 -2.824 0.247 -3.408 561 1HB ASP 73 HB2 ASP 73 -5.258 0.454 -3.632 562 2HB ASP 73 HB1 ASP 73 -4.432 1.269 -4.956 563 H TYR 74 HN TYR 74 -4.929 -0.882 -2.210 564 HA TYR 74 HA TYR 74 -3.987 -3.346 -1.314 565 1HB TYR 74 HB2 TYR 74 -5.496 -1.953 0.010 566 2HB TYR 74 HB1 TYR 74 -6.789 -2.216 -1.155 567 HD1 TYR 74 HD1 TYR 74 -5.075 -3.509 1.740 568 HD2 TYR 74 HD2 TYR 74 -7.746 -4.526 -1.410 569 HE1 TYR 74 HE1 TYR 74 -5.792 -5.495 2.999 570 HE2 TYR 74 HE2 TYR 74 -8.473 -6.515 -0.160 571 HH TYR 74 HH TYR 74 -8.314 -7.006 2.771 572 H GLU 75 HN GLU 75 -6.687 -2.656 -3.532 573 HA GLU 75 HA GLU 75 -7.470 -5.277 -4.010 574 1HB GLU 75 HB2 GLU 75 -8.274 -2.788 -4.819 575 2HB GLU 75 HB1 GLU 75 -7.653 -3.470 -6.312 576 1HG GLU 75 HG2 GLU 75 -9.293 -5.382 -4.935 577 2HG GLU 75 HG1 GLU 75 -10.161 -3.866 -5.165 578 H LEU 76 HN LEU 76 -4.943 -3.332 -5.532 579 HA LEU 76 HA LEU 76 -4.378 -5.180 -7.609 580 1HB LEU 76 HB2 LEU 76 -3.872 -2.707 -7.548 581 2HB LEU 76 HB1 LEU 76 -2.550 -3.085 -6.461 582 HG LEU 76 HG LEU 76 -2.672 -4.489 -9.085 583 1HD1 LEU 76 HD11 LEU 76 -1.131 -2.026 -9.157 584 2HD1 LEU 76 HD12 LEU 76 -2.864 -1.743 -8.993 585 3HD1 LEU 76 HD13 LEU 76 -2.250 -2.698 -10.343 586 1HD2 LEU 76 HD21 LEU 76 -0.843 -4.123 -6.904 587 2HD2 LEU 76 HD22 LEU 76 -0.110 -3.581 -8.415 588 3HD2 LEU 76 HD23 LEU 76 -0.739 -5.223 -8.278 589 H PHE 77 HN PHE 77 -2.523 -4.298 -4.682 590 HA PHE 77 HA PHE 77 -0.535 -6.194 -4.839 591 1HB PHE 77 HB2 PHE 77 -0.539 -4.420 -3.159 592 2HB PHE 77 HB1 PHE 77 -1.912 -5.164 -2.347 593 HD1 PHE 77 HD1 PHE 77 -1.604 -7.448 -1.316 594 HD2 PHE 77 HD2 PHE 77 1.654 -5.058 -2.654 595 HE1 PHE 77 HE1 PHE 77 -0.067 -8.768 0.079 596 HE2 PHE 77 HE2 PHE 77 3.197 -6.375 -1.263 597 HZ PHE 77 HZ PHE 77 2.337 -8.233 0.106 598 H VAL 78 HN VAL 78 -3.726 -6.535 -3.312 599 HA VAL 78 HA VAL 78 -3.363 -9.215 -2.478 600 HB VAL 78 HB VAL 78 -5.983 -7.841 -3.092 601 1HG1 VAL 78 HG11 VAL 78 -5.578 -10.458 -2.530 602 2HG1 VAL 78 HG12 VAL 78 -7.043 -9.569 -2.115 603 3HG1 VAL 78 HG13 VAL 78 -5.779 -9.797 -0.907 604 1HG2 VAL 78 HG21 VAL 78 -4.123 -6.935 -1.314 605 2HG2 VAL 78 HG22 VAL 78 -5.107 -7.991 -0.301 606 3HG2 VAL 78 HG23 VAL 78 -5.860 -6.664 -1.186 607 H GLU 79 HN GLU 79 -4.619 -7.744 -5.421 608 HA GLU 79 HA GLU 79 -5.707 -10.042 -6.603 609 1HB GLU 79 HB2 GLU 79 -6.156 -7.807 -7.465 610 2HB GLU 79 HB1 GLU 79 -4.466 -7.619 -7.914 611 1HG GLU 79 HG2 GLU 79 -4.753 -9.582 -9.445 612 2HG GLU 79 HG1 GLU 79 -6.481 -9.504 -9.105 613 H ALA 80 HN ALA 80 -2.452 -9.145 -6.035 614 HA ALA 80 HA ALA 80 -1.373 -10.824 -8.138 615 1HB ALA 80 HB1 ALA 80 0.157 -9.477 -5.927 616 2HB ALA 80 HB2 ALA 80 -0.341 -8.646 -7.401 617 3HB ALA 80 HB3 ALA 80 0.758 -10.021 -7.493 618 H VAL 81 HN VAL 81 -1.019 -10.735 -4.581 619 HA VAL 81 HA VAL 81 0.278 -13.136 -4.215 620 HB VAL 81 HB VAL 81 -1.873 -12.107 -2.363 621 1HG1 VAL 81 HG11 VAL 81 0.305 -14.098 -2.154 622 2HG1 VAL 81 HG12 VAL 81 -1.282 -14.065 -1.388 623 3HG1 VAL 81 HG13 VAL 81 0.025 -13.067 -0.752 624 1HG2 VAL 81 HG21 VAL 81 0.268 -10.626 -3.230 625 2HG2 VAL 81 HG22 VAL 81 0.885 -11.363 -1.753 626 3HG2 VAL 81 HG23 VAL 81 -0.588 -10.395 -1.707 627 H GLU 82 HN GLU 82 -3.154 -12.575 -4.676 628 HA GLU 82 HA GLU 82 -4.205 -15.029 -3.961 629 1HB GLU 82 HB2 GLU 82 -5.963 -14.483 -5.739 630 2HB GLU 82 HB1 GLU 82 -5.731 -13.320 -4.440 631 1HG GLU 82 HG2 GLU 82 -5.396 -11.745 -5.943 632 2HG GLU 82 HG1 GLU 82 -3.948 -12.591 -6.491 633 H GLN 83 HN GLN 83 -2.914 -14.059 -7.139 634 HA GLN 83 HA GLN 83 -3.187 -16.829 -8.055 635 1HB GLN 83 HB2 GLN 83 -3.738 -14.471 -9.326 636 2HB GLN 83 HB1 GLN 83 -2.130 -14.829 -9.936 637 1HG GLN 83 HG2 GLN 83 -3.865 -17.152 -9.980 638 2HG GLN 83 HG1 GLN 83 -4.515 -15.805 -10.913 639 1HE2 GLN 83 HE21 GLN 83 -1.546 -17.663 -10.410 640 2HE2 GLN 83 HE22 GLN 83 -1.005 -17.576 -12.049 641 H ASN 84 HN ASN 84 -1.029 -15.306 -6.317 642 HA ASN 84 HA ASN 84 1.123 -15.754 -5.799 643 1HB ASN 84 HB2 ASN 84 0.487 -18.048 -6.984 644 2HB ASN 84 HB1 ASN 84 1.586 -17.440 -8.219 645 1HD2 ASN 84 HD21 ASN 84 1.396 -17.827 -4.699 646 2HD2 ASN 84 HD22 ASN 84 3.039 -18.321 -4.493 647 H THR 85 HN THR 85 0.068 -13.786 -7.821 648 HA THR 85 HA THR 85 2.331 -13.338 -9.555 649 HB THR 85 HB THR 85 0.251 -11.249 -9.244 650 HG1 THR 85 HG1 THR 85 -1.362 -12.492 -9.690 651 1HG2 THR 85 HG21 THR 85 0.899 -10.693 -11.278 652 2HG2 THR 85 HG22 THR 85 0.543 -12.312 -11.881 653 3HG2 THR 85 HG23 THR 85 2.128 -11.955 -11.193 654 H LEU 86 HN LEU 86 1.322 -12.457 -6.420 655 HA LEU 86 HA LEU 86 2.030 -10.022 -5.742 656 1HB LEU 86 HB2 LEU 86 1.577 -11.730 -4.096 657 2HB LEU 86 HB1 LEU 86 3.112 -12.508 -4.429 658 HG LEU 86 HG LEU 86 4.267 -10.468 -3.594 659 1HD1 LEU 86 HD11 LEU 86 3.198 -8.610 -2.955 660 2HD1 LEU 86 HD12 LEU 86 1.912 -9.510 -2.153 661 3HD1 LEU 86 HD13 LEU 86 1.848 -9.245 -3.895 662 1HD2 LEU 86 HD21 LEU 86 3.195 -10.869 -1.146 663 2HD2 LEU 86 HD22 LEU 86 4.350 -11.960 -1.910 664 3HD2 LEU 86 HD23 LEU 86 2.623 -12.307 -1.992 665 H GLN 87 HN GLN 87 4.507 -12.462 -6.537 666 HA GLN 87 HA GLN 87 6.770 -10.959 -6.012 667 1HB GLN 87 HB2 GLN 87 7.036 -13.262 -6.576 668 2HB GLN 87 HB1 GLN 87 6.274 -13.033 -8.145 669 1HG GLN 87 HG2 GLN 87 8.134 -11.862 -8.994 670 2HG GLN 87 HG1 GLN 87 8.832 -11.659 -7.390 671 1HE2 GLN 87 HE21 GLN 87 10.515 -12.902 -7.037 672 2HE2 GLN 87 HE22 GLN 87 10.778 -14.482 -7.686 673 H GLU 88 HN GLU 88 5.093 -11.250 -9.147 674 HA GLU 88 HA GLU 88 6.555 -9.553 -10.691 675 1HB GLU 88 HB2 GLU 88 4.453 -10.857 -11.311 676 2HB GLU 88 HB1 GLU 88 3.541 -9.485 -10.698 677 1HG GLU 88 HG2 GLU 88 4.545 -8.031 -12.339 678 2HG GLU 88 HG1 GLU 88 5.580 -9.340 -12.907 679 H PHE 89 HN PHE 89 4.480 -8.708 -8.039 680 HA PHE 89 HA PHE 89 4.747 -5.861 -8.643 681 1HB PHE 89 HB2 PHE 89 2.489 -6.689 -8.132 682 2HB PHE 89 HB1 PHE 89 3.054 -7.274 -6.572 683 HD1 PHE 89 HD1 PHE 89 1.615 -4.565 -8.330 684 HD2 PHE 89 HD2 PHE 89 4.028 -5.517 -4.960 685 HE1 PHE 89 HE1 PHE 89 1.061 -2.389 -7.327 686 HE2 PHE 89 HE2 PHE 89 3.481 -3.342 -3.948 687 HZ PHE 89 HZ PHE 89 1.996 -1.774 -5.133 688 H LEU 90 HN LEU 90 5.849 -8.315 -6.459 689 HA LEU 90 HA LEU 90 6.938 -6.361 -4.593 690 1HB LEU 90 HB2 LEU 90 5.912 -8.849 -4.215 691 2HB LEU 90 HB1 LEU 90 7.628 -9.205 -4.257 692 HG LEU 90 HG LEU 90 6.947 -8.886 -1.972 693 1HD1 LEU 90 HD11 LEU 90 8.398 -6.384 -2.793 694 2HD1 LEU 90 HD12 LEU 90 9.154 -7.977 -2.780 695 3HD1 LEU 90 HD13 LEU 90 8.540 -7.280 -1.281 696 1HD2 LEU 90 HD21 LEU 90 4.947 -7.523 -2.437 697 2HD2 LEU 90 HD22 LEU 90 5.991 -6.147 -2.794 698 3HD2 LEU 90 HD23 LEU 90 5.958 -6.831 -1.169 699 H LYS 91 HN LYS 91 8.359 -9.274 -6.094 700 HA LYS 91 HA LYS 91 10.951 -7.948 -6.114 701 1HB LYS 91 HB2 LYS 91 10.515 -10.731 -7.128 702 2HB LYS 91 HB1 LYS 91 11.923 -10.045 -6.330 703 1HG LYS 91 HG2 LYS 91 9.993 -9.846 -4.396 704 2HG LYS 91 HG1 LYS 91 9.584 -11.363 -5.200 705 1HD LYS 91 HD2 LYS 91 11.126 -12.258 -3.833 706 2HD LYS 91 HD1 LYS 91 12.291 -11.577 -4.971 707 1HE LYS 91 HE2 LYS 91 11.289 -9.805 -2.814 708 2HE LYS 91 HE1 LYS 91 12.392 -11.100 -2.350 709 1HZ LYS 91 HZ1 LYS 91 14.114 -10.150 -3.439 710 2HZ LYS 91 HZ2 LYS 91 13.234 -8.735 -3.145 711 3HZ LYS 91 HZ3 LYS 91 13.146 -9.486 -4.659 712 H LEU 92 HN LEU 92 8.389 -8.600 -8.288 713 HA LEU 92 HA LEU 92 8.135 -8.347 -10.536 714 1HB LEU 92 HB2 LEU 92 10.416 -6.448 -10.013 715 2HB LEU 92 HB1 LEU 92 9.607 -6.565 -11.563 716 HG LEU 92 HG LEU 92 7.585 -5.698 -10.700 717 1HD1 LEU 92 HD11 LEU 92 7.432 -6.969 -8.650 718 2HD1 LEU 92 HD12 LEU 92 7.240 -5.251 -8.298 719 3HD1 LEU 92 HD13 LEU 92 8.770 -6.057 -7.951 720 1HD2 LEU 92 HD21 LEU 92 9.962 -4.251 -9.557 721 2HD2 LEU 92 HD22 LEU 92 8.329 -3.584 -9.555 722 3HD2 LEU 92 HD23 LEU 92 9.132 -3.945 -11.083 723 H ALA 93 HN ALA 93 9.842 -10.517 -9.641 724 HA ALA 93 HA ALA 93 11.947 -10.680 -11.645 725 1HB ALA 93 HB1 ALA 93 12.899 -12.264 -10.354 726 2HB ALA 93 HB2 ALA 93 11.359 -13.039 -9.981 727 3HB ALA 93 HB3 ALA 93 11.850 -11.586 -9.109 728 H LEU 94 HN LEU 94 9.466 -13.019 -10.604 729 HA LEU 94 HA LEU 94 8.182 -14.493 -11.765 730 1HB LEU 94 HB2 LEU 94 7.580 -12.154 -12.811 731 2HB LEU 94 HB1 LEU 94 8.389 -12.810 -14.222 732 HG LEU 94 HG LEU 94 6.812 -14.651 -14.327 733 1HD1 LEU 94 HD11 LEU 94 5.782 -13.477 -11.763 734 2HD1 LEU 94 HD12 LEU 94 6.303 -15.130 -12.089 735 3HD1 LEU 94 HD13 LEU 94 4.796 -14.529 -12.779 736 1HD2 LEU 94 HD21 LEU 94 5.818 -11.848 -14.252 737 2HD2 LEU 94 HD22 LEU 94 4.649 -13.153 -14.453 738 3HD2 LEU 94 HD23 LEU 94 5.964 -12.961 -15.613 739 H GLU 95 HN GLU 95 9.677 -16.167 -11.830 740 HA GLU 95 HA GLU 95 11.371 -16.351 -14.219 741 1HB GLU 95 HB2 GLU 95 11.427 -17.844 -11.595 742 2HB GLU 95 HB1 GLU 95 12.444 -18.260 -12.968 743 1HG GLU 95 HG2 GLU 95 13.392 -15.970 -12.890 744 2HG GLU 95 HG1 GLU 95 12.458 -15.679 -11.424 Start of MODEL 9 1 1H MET 1 HT1 MET 1 16.555 6.498 -4.326 2 2H MET 1 HT2 MET 1 17.394 6.063 -5.759 3 3H MET 1 HT3 MET 1 18.268 6.560 -4.368 4 HA MET 1 HA MET 1 18.210 4.136 -4.853 5 1HB MET 1 HB2 MET 1 18.505 5.541 -2.596 6 2HB MET 1 HB1 MET 1 17.050 4.656 -2.161 7 1HG MET 1 HG2 MET 1 18.557 2.644 -3.117 8 2HG MET 1 HG1 MET 1 19.815 3.713 -2.499 9 1HE MET 1 HE1 MET 1 20.532 1.854 -1.320 10 2HE MET 1 HE2 MET 1 19.457 0.711 -0.515 11 3HE MET 1 HE3 MET 1 20.304 1.937 0.427 12 H SER 2 HN SER 2 17.014 2.186 -4.517 13 HA SER 2 HA SER 2 14.208 2.485 -5.196 14 1HB SER 2 HB2 SER 2 16.221 0.306 -5.347 15 2HB SER 2 HB1 SER 2 14.539 -0.182 -5.137 16 HG SER 2 HG SER 2 15.352 1.659 -7.125 17 H GLY 3 HN GLY 3 12.605 2.366 -3.775 18 1HA GLY 3 HA2 GLY 3 12.954 0.748 -1.352 19 2HA GLY 3 HA1 GLY 3 12.537 2.445 -1.166 20 H LEU 4 HN LEU 4 10.785 0.979 -0.007 21 HA LEU 4 HA LEU 4 8.516 0.859 -1.873 22 1HB LEU 4 HB2 LEU 4 9.654 -1.380 -0.836 23 2HB LEU 4 HB1 LEU 4 8.449 -1.031 0.389 24 HG LEU 4 HG LEU 4 7.766 -1.243 -2.537 25 1HD1 LEU 4 HD11 LEU 4 7.550 -3.484 -2.428 26 2HD1 LEU 4 HD12 LEU 4 7.091 -3.467 -0.725 27 3HD1 LEU 4 HD13 LEU 4 8.789 -3.327 -1.182 28 1HD2 LEU 4 HD21 LEU 4 5.518 -1.825 -1.435 29 2HD2 LEU 4 HD22 LEU 4 6.036 -0.139 -1.435 30 3HD2 LEU 4 HD23 LEU 4 6.213 -1.116 0.023 31 H ARG 5 HN ARG 5 6.998 2.246 -1.274 32 HA ARG 5 HA ARG 5 6.768 2.933 1.582 33 1HB ARG 5 HB2 ARG 5 5.634 4.683 -0.559 34 2HB ARG 5 HB1 ARG 5 6.233 5.116 1.035 35 1HG ARG 5 HG2 ARG 5 8.528 4.736 0.269 36 2HG ARG 5 HG1 ARG 5 7.916 4.327 -1.334 37 1HD ARG 5 HD2 ARG 5 8.475 6.549 -1.598 38 2HD ARG 5 HD1 ARG 5 6.763 6.656 -1.190 39 HE ARG 5 HE ARG 5 7.993 6.853 1.214 40 1HH1 ARG 5 HH11 ARG 5 8.361 8.550 -1.813 41 2HH1 ARG 5 HH12 ARG 5 8.863 10.029 -1.066 42 1HH2 ARG 5 HH21 ARG 5 8.654 8.797 2.198 43 2HH2 ARG 5 HH22 ARG 5 9.030 10.170 1.211 44 H VAL 6 HN VAL 6 4.927 2.487 2.604 45 HA VAL 6 HA VAL 6 2.616 1.643 0.981 46 HB VAL 6 HB VAL 6 3.180 0.881 3.848 47 1HG1 VAL 6 HG11 VAL 6 0.859 0.712 3.377 48 2HG1 VAL 6 HG12 VAL 6 1.513 -0.924 3.302 49 3HG1 VAL 6 HG13 VAL 6 1.164 -0.045 1.813 50 1HG2 VAL 6 HG21 VAL 6 3.816 -1.330 2.939 51 2HG2 VAL 6 HG22 VAL 6 4.927 -0.045 2.464 52 3HG2 VAL 6 HG23 VAL 6 3.738 -0.653 1.312 53 H TYR 7 HN TYR 7 0.958 3.005 0.974 54 HA TYR 7 HA TYR 7 0.812 5.172 2.864 55 1HB TYR 7 HB2 TYR 7 -0.680 4.379 0.401 56 2HB TYR 7 HB1 TYR 7 -1.452 5.497 1.520 57 HD1 TYR 7 HD1 TYR 7 0.956 5.127 -1.115 58 HD2 TYR 7 HD2 TYR 7 -0.239 7.651 2.095 59 HE1 TYR 7 HE1 TYR 7 2.212 6.988 -2.117 60 HE2 TYR 7 HE2 TYR 7 1.015 9.519 1.102 61 HH TYR 7 HH TYR 7 2.270 9.405 -2.079 62 H SER 8 HN SER 8 -0.723 5.524 4.429 63 HA SER 8 HA SER 8 -2.903 3.691 4.837 64 1HB SER 8 HB2 SER 8 -2.210 2.674 6.845 65 2HB SER 8 HB1 SER 8 -0.791 2.572 5.803 66 HG SER 8 HG SER 8 -0.627 3.426 8.109 67 H THR 9 HN THR 9 -3.929 4.205 7.103 68 HA THR 9 HA THR 9 -3.733 7.102 7.588 69 HB THR 9 HB THR 9 -5.719 6.875 6.320 70 HG1 THR 9 HG1 THR 9 -6.581 6.740 9.014 71 1HG2 THR 9 HG21 THR 9 -6.549 4.601 8.105 72 2HG2 THR 9 HG22 THR 9 -5.993 4.451 6.438 73 3HG2 THR 9 HG23 THR 9 -7.495 5.304 6.793 74 H SER 10 HN SER 10 -2.812 7.202 9.544 75 HA SER 10 HA SER 10 -2.981 5.285 11.567 76 1HB SER 10 HB2 SER 10 -1.474 7.483 11.223 77 2HB SER 10 HB1 SER 10 -2.633 8.119 12.390 78 HG SER 10 HG SER 10 -0.868 7.185 13.455 79 H VAL 11 HN VAL 11 -4.856 8.259 11.082 80 HA VAL 11 HA VAL 11 -6.732 7.323 13.155 81 HB VAL 11 HB VAL 11 -6.409 10.163 12.186 82 1HG1 VAL 11 HG11 VAL 11 -8.103 8.806 14.221 83 2HG1 VAL 11 HG12 VAL 11 -8.501 10.118 13.112 84 3HG1 VAL 11 HG13 VAL 11 -7.536 10.442 14.552 85 1HG2 VAL 11 HG21 VAL 11 -5.093 10.641 14.094 86 2HG2 VAL 11 HG22 VAL 11 -4.381 9.207 13.354 87 3HG2 VAL 11 HG23 VAL 11 -5.393 9.049 14.790 88 H THR 12 HN THR 12 -8.480 6.427 12.289 89 HA THR 12 HA THR 12 -9.783 7.785 10.038 90 HB THR 12 HB THR 12 -9.919 4.821 10.064 91 HG1 THR 12 HG1 THR 12 -7.843 4.629 9.975 92 1HG2 THR 12 HG21 THR 12 -10.966 5.443 8.185 93 2HG2 THR 12 HG22 THR 12 -9.328 5.534 7.538 94 3HG2 THR 12 HG23 THR 12 -10.133 6.996 8.107 95 H GLY 13 HN GLY 13 -12.008 6.439 9.678 96 1HA GLY 13 HA2 GLY 13 -13.200 5.832 12.284 97 2HA GLY 13 HA1 GLY 13 -13.886 7.160 11.361 98 H SER 14 HN SER 14 -12.607 4.379 9.719 99 HA SER 14 HA SER 14 -15.354 3.619 8.988 100 1HB SER 14 HB2 SER 14 -14.590 2.981 6.874 101 2HB SER 14 HB1 SER 14 -13.608 4.403 7.223 102 HG SER 14 HG SER 14 -12.038 2.800 8.077 103 H ARG 15 HN ARG 15 -15.159 1.164 8.047 104 HA ARG 15 HA ARG 15 -13.955 -0.420 10.197 105 1HB ARG 15 HB2 ARG 15 -16.525 -0.146 10.162 106 2HB ARG 15 HB1 ARG 15 -16.456 -1.255 8.799 107 1HG ARG 15 HG2 ARG 15 -15.811 -3.032 10.099 108 2HG ARG 15 HG1 ARG 15 -15.093 -2.002 11.340 109 1HD ARG 15 HD2 ARG 15 -17.263 -1.355 12.137 110 2HD ARG 15 HD1 ARG 15 -18.052 -2.191 10.800 111 HE ARG 15 HE ARG 15 -16.432 -3.908 12.437 112 1HH1 ARG 15 HH11 ARG 15 -19.584 -2.457 12.060 113 2HH1 ARG 15 HH12 ARG 15 -20.393 -3.671 12.992 114 1HH2 ARG 15 HH21 ARG 15 -17.495 -5.507 13.664 115 2HH2 ARG 15 HH22 ARG 15 -19.207 -5.403 13.903 116 H GLU 16 HN GLU 16 -14.184 0.097 6.962 117 HA GLU 16 HA GLU 16 -13.277 -2.586 6.225 118 1HB GLU 16 HB2 GLU 16 -14.591 -0.358 4.771 119 2HB GLU 16 HB1 GLU 16 -13.450 -1.331 3.852 120 1HG GLU 16 HG2 GLU 16 -14.798 -3.129 3.821 121 2HG GLU 16 HG1 GLU 16 -15.401 -2.841 5.453 122 H ILE 17 HN ILE 17 -12.295 0.784 6.225 123 HA ILE 17 HA ILE 17 -9.907 0.465 4.743 124 HB ILE 17 HB ILE 17 -10.491 2.553 6.844 125 1HG1 ILE 17 HG12 ILE 17 -11.076 2.575 3.874 126 2HG1 ILE 17 HG11 ILE 17 -12.276 2.464 5.158 127 1HG2 ILE 17 HG21 ILE 17 -8.880 3.249 4.497 128 2HG2 ILE 17 HG22 ILE 17 -8.135 2.063 5.569 129 3HG2 ILE 17 HG23 ILE 17 -8.633 3.632 6.201 130 1HD1 ILE 17 HD11 ILE 17 -10.763 4.792 4.168 131 2HD1 ILE 17 HD12 ILE 17 -11.064 4.720 5.904 132 3HD1 ILE 17 HD13 ILE 17 -12.416 4.679 4.772 133 H LYS 18 HN LYS 18 -10.704 0.065 8.128 134 HA LYS 18 HA LYS 18 -8.024 -0.031 9.081 135 1HB LYS 18 HB2 LYS 18 -10.716 -0.643 10.182 136 2HB LYS 18 HB1 LYS 18 -9.337 -1.382 10.984 137 1HG LYS 18 HG2 LYS 18 -8.592 0.581 11.818 138 2HG LYS 18 HG1 LYS 18 -9.134 1.508 10.417 139 1HD LYS 18 HD2 LYS 18 -11.350 1.599 11.201 140 2HD LYS 18 HD1 LYS 18 -11.070 0.317 12.382 141 1HE LYS 18 HE2 LYS 18 -9.494 1.840 13.562 142 2HE LYS 18 HE1 LYS 18 -9.961 3.119 12.443 143 1HZ LYS 18 HZ1 LYS 18 -11.138 2.985 14.693 144 2HZ LYS 18 HZ2 LYS 18 -11.991 1.683 14.031 145 3HZ LYS 18 HZ3 LYS 18 -12.093 3.211 13.314 146 H SER 19 HN SER 19 -10.245 -2.387 7.766 147 HA SER 19 HA SER 19 -8.608 -4.644 8.524 148 1HB SER 19 HB2 SER 19 -11.050 -4.432 6.748 149 2HB SER 19 HB1 SER 19 -10.252 -5.949 7.164 150 HG SER 19 HG SER 19 -11.504 -5.904 8.846 151 H GLN 20 HN GLN 20 -9.061 -2.591 5.739 152 HA GLN 20 HA GLN 20 -7.723 -4.283 3.874 153 1HB GLN 20 HB2 GLN 20 -8.764 -1.509 3.900 154 2HB GLN 20 HB1 GLN 20 -7.471 -1.842 2.755 155 1HG GLN 20 HG2 GLN 20 -9.542 -2.151 1.634 156 2HG GLN 20 HG1 GLN 20 -8.821 -3.741 1.884 157 1HE2 GLN 20 HE21 GLN 20 -11.649 -2.245 1.848 158 2HE2 GLN 20 HE22 GLN 20 -12.518 -3.149 3.036 159 H GLN 21 HN GLN 21 -6.727 -1.270 5.505 160 HA GLN 21 HA GLN 21 -4.066 -1.316 4.614 161 1HB GLN 21 HB2 GLN 21 -3.625 0.327 6.350 162 2HB GLN 21 HB1 GLN 21 -5.159 0.678 5.566 163 1HG GLN 21 HG2 GLN 21 -6.202 -0.649 7.514 164 2HG GLN 21 HG1 GLN 21 -4.647 -0.398 8.306 165 1HE2 GLN 21 HE21 GLN 21 -3.912 1.835 8.516 166 2HE2 GLN 21 HE22 GLN 21 -5.087 3.080 8.749 167 H SER 22 HN SER 22 -5.540 -2.542 7.598 168 HA SER 22 HA SER 22 -3.190 -3.381 8.863 169 1HB SER 22 HB2 SER 22 -5.430 -3.218 9.954 170 2HB SER 22 HB1 SER 22 -5.921 -4.669 9.081 171 HG SER 22 HG SER 22 -5.099 -4.981 11.280 172 H GLU 23 HN GLU 23 -5.243 -4.981 6.490 173 HA GLU 23 HA GLU 23 -4.079 -7.540 6.653 174 1HB GLU 23 HB2 GLU 23 -6.240 -7.072 5.547 175 2HB GLU 23 HB1 GLU 23 -5.386 -6.220 4.268 176 1HG GLU 23 HG2 GLU 23 -4.800 -8.110 3.231 177 2HG GLU 23 HG1 GLU 23 -4.416 -8.936 4.740 178 H VAL 24 HN VAL 24 -3.423 -4.812 4.466 179 HA VAL 24 HA VAL 24 -1.420 -6.028 2.947 180 HB VAL 24 HB VAL 24 -1.524 -3.098 3.661 181 1HG1 VAL 24 HG11 VAL 24 0.453 -3.396 2.511 182 2HG1 VAL 24 HG12 VAL 24 -0.671 -3.034 1.201 183 3HG1 VAL 24 HG13 VAL 24 -0.197 -4.702 1.520 184 1HG2 VAL 24 HG21 VAL 24 -3.309 -4.753 2.006 185 2HG2 VAL 24 HG22 VAL 24 -2.753 -3.255 1.260 186 3HG2 VAL 24 HG23 VAL 24 -3.606 -3.208 2.803 187 H THR 25 HN THR 25 -1.264 -4.360 6.044 188 HA THR 25 HA THR 25 1.605 -4.387 6.157 189 HB THR 25 HB THR 25 1.307 -3.581 8.459 190 HG1 THR 25 HG1 THR 25 -1.468 -3.912 7.985 191 1HG2 THR 25 HG21 THR 25 1.140 -1.912 6.704 192 2HG2 THR 25 HG22 THR 25 0.054 -1.538 8.042 193 3HG2 THR 25 HG23 THR 25 -0.588 -2.230 6.552 194 H ARG 26 HN ARG 26 -0.993 -6.456 7.243 195 HA ARG 26 HA ARG 26 0.470 -8.007 9.091 196 1HB ARG 26 HB2 ARG 26 -2.148 -7.892 8.286 197 2HB ARG 26 HB1 ARG 26 -1.629 -9.428 7.605 198 1HG ARG 26 HG2 ARG 26 -0.621 -9.609 10.114 199 2HG ARG 26 HG1 ARG 26 -2.078 -8.653 10.396 200 1HD ARG 26 HD2 ARG 26 -3.469 -10.354 9.828 201 2HD ARG 26 HD1 ARG 26 -2.351 -11.014 8.635 202 HE ARG 26 HE ARG 26 -1.442 -11.336 11.336 203 1HH1 ARG 26 HH11 ARG 26 -3.456 -12.698 8.833 204 2HH1 ARG 26 HH12 ARG 26 -3.383 -14.305 9.474 205 1HH2 ARG 26 HH21 ARG 26 -1.343 -13.448 12.180 206 2HH2 ARG 26 HH22 ARG 26 -2.183 -14.731 11.375 207 H ILE 27 HN ILE 27 -0.094 -8.349 5.617 208 HA ILE 27 HA ILE 27 1.294 -10.843 5.408 209 HB ILE 27 HB ILE 27 0.688 -8.900 3.180 210 1HG1 ILE 27 HG12 ILE 27 -1.029 -11.201 4.128 211 2HG1 ILE 27 HG11 ILE 27 -1.319 -9.522 4.573 212 1HG2 ILE 27 HG21 ILE 27 2.044 -10.440 2.190 213 2HG2 ILE 27 HG22 ILE 27 0.500 -11.277 2.029 214 3HG2 ILE 27 HG23 ILE 27 1.611 -11.718 3.326 215 1HD1 ILE 27 HD11 ILE 27 -1.061 -9.995 1.695 216 2HD1 ILE 27 HD12 ILE 27 -2.235 -9.032 2.594 217 3HD1 ILE 27 HD13 ILE 27 -2.444 -10.779 2.460 218 H LEU 28 HN LEU 28 2.106 -7.464 4.710 219 HA LEU 28 HA LEU 28 4.668 -7.950 3.643 220 1HB LEU 28 HB2 LEU 28 3.477 -5.531 4.988 221 2HB LEU 28 HB1 LEU 28 5.081 -5.538 4.282 222 HG LEU 28 HG LEU 28 2.705 -6.300 2.623 223 1HD1 LEU 28 HD11 LEU 28 2.315 -4.087 3.783 224 2HD1 LEU 28 HD12 LEU 28 2.287 -4.058 2.020 225 3HD1 LEU 28 HD13 LEU 28 3.708 -3.479 2.888 226 1HD2 LEU 28 HD21 LEU 28 4.564 -6.723 1.374 227 2HD2 LEU 28 HD22 LEU 28 5.527 -5.487 2.184 228 3HD2 LEU 28 HD23 LEU 28 4.331 -5.021 0.975 229 H ASP 29 HN ASP 29 3.564 -7.259 6.933 230 HA ASP 29 HA ASP 29 6.120 -7.107 8.117 231 1HB ASP 29 HB2 ASP 29 3.851 -6.373 9.083 232 2HB ASP 29 HB1 ASP 29 3.651 -8.058 9.557 233 H GLY 30 HN GLY 30 3.800 -9.791 7.844 234 1HA GLY 30 HA2 GLY 30 5.262 -11.714 9.245 235 2HA GLY 30 HA1 GLY 30 4.097 -12.063 7.977 236 H LYS 31 HN LYS 31 5.585 -10.579 5.948 237 HA LYS 31 HA LYS 31 7.339 -12.696 5.133 238 1HB LYS 31 HB2 LYS 31 6.342 -10.158 3.930 239 2HB LYS 31 HB1 LYS 31 7.800 -10.875 3.257 240 1HG LYS 31 HG2 LYS 31 6.685 -12.582 2.310 241 2HG LYS 31 HG1 LYS 31 5.549 -12.726 3.653 242 1HD LYS 31 HD2 LYS 31 4.090 -11.213 2.762 243 2HD LYS 31 HD1 LYS 31 5.363 -10.307 1.941 244 1HE LYS 31 HE2 LYS 31 3.935 -11.452 0.333 245 2HE LYS 31 HE1 LYS 31 5.576 -12.096 0.290 246 1HZ LYS 31 HZ1 LYS 31 4.347 -14.005 0.312 247 2HZ LYS 31 HZ2 LYS 31 3.112 -13.354 1.267 248 3HZ LYS 31 HZ3 LYS 31 4.582 -13.797 1.975 249 H ARG 32 HN ARG 32 7.752 -9.992 7.084 250 HA ARG 32 HA ARG 32 9.579 -9.049 8.050 251 1HB ARG 32 HB2 ARG 32 11.289 -11.076 6.620 252 2HB ARG 32 HB1 ARG 32 11.626 -10.246 8.133 253 1HG ARG 32 HG2 ARG 32 9.310 -11.544 8.729 254 2HG ARG 32 HG1 ARG 32 10.082 -12.676 7.618 255 1HD ARG 32 HD2 ARG 32 11.662 -11.457 9.842 256 2HD ARG 32 HD1 ARG 32 10.579 -12.807 10.175 257 HE ARG 32 HE ARG 32 13.117 -12.938 8.913 258 1HH1 ARG 32 HH11 ARG 32 9.933 -14.366 8.859 259 2HH1 ARG 32 HH12 ARG 32 10.487 -15.883 8.234 260 1HH2 ARG 32 HH21 ARG 32 13.848 -14.932 8.091 261 2HH2 ARG 32 HH22 ARG 32 12.710 -16.205 7.799 262 H ILE 33 HN ILE 33 8.625 -7.892 5.741 263 HA ILE 33 HA ILE 33 10.911 -7.276 4.054 264 HB ILE 33 HB ILE 33 8.104 -6.178 3.876 265 1HG1 ILE 33 HG12 ILE 33 9.363 -8.542 2.466 266 2HG1 ILE 33 HG11 ILE 33 8.059 -8.607 3.648 267 1HG2 ILE 33 HG21 ILE 33 10.456 -6.143 2.000 268 2HG2 ILE 33 HG22 ILE 33 9.599 -4.768 2.697 269 3HG2 ILE 33 HG23 ILE 33 8.807 -5.780 1.489 270 1HD1 ILE 33 HD11 ILE 33 7.460 -8.814 1.177 271 2HD1 ILE 33 HD12 ILE 33 7.768 -7.080 1.091 272 3HD1 ILE 33 HD13 ILE 33 6.513 -7.700 2.163 273 H GLN 34 HN GLN 34 11.481 -5.057 3.602 274 HA GLN 34 HA GLN 34 11.335 -3.402 6.021 275 1HB GLN 34 HB2 GLN 34 13.255 -2.155 4.835 276 2HB GLN 34 HB1 GLN 34 13.590 -3.740 5.515 277 1HG GLN 34 HG2 GLN 34 14.605 -3.467 3.321 278 2HG GLN 34 HG1 GLN 34 13.398 -4.752 3.320 279 1HE2 GLN 34 HE21 GLN 34 12.006 -4.739 1.710 280 2HE2 GLN 34 HE22 GLN 34 11.599 -3.380 0.725 281 H TYR 35 HN TYR 35 9.047 -3.327 4.613 282 HA TYR 35 HA TYR 35 9.020 -1.222 2.666 283 1HB TYR 35 HB2 TYR 35 6.608 -1.502 2.675 284 2HB TYR 35 HB1 TYR 35 7.384 -3.081 2.638 285 HD1 TYR 35 HD1 TYR 35 7.446 -4.466 4.720 286 HD2 TYR 35 HD2 TYR 35 5.182 -0.873 4.466 287 HE1 TYR 35 HE1 TYR 35 6.151 -5.149 6.695 288 HE2 TYR 35 HE2 TYR 35 3.881 -1.546 6.440 289 HH TYR 35 HH TYR 35 4.055 -4.716 7.764 290 H GLN 36 HN GLN 36 7.956 0.806 2.882 291 HA GLN 36 HA GLN 36 8.322 1.983 5.523 292 1HB GLN 36 HB2 GLN 36 8.788 2.882 2.915 293 2HB GLN 36 HB1 GLN 36 7.406 3.817 3.469 294 1HG GLN 36 HG2 GLN 36 9.223 3.829 5.593 295 2HG GLN 36 HG1 GLN 36 10.183 4.083 4.137 296 1HE2 GLN 36 HE21 GLN 36 9.001 5.657 2.556 297 2HE2 GLN 36 HE22 GLN 36 8.452 7.125 3.283 298 H LEU 37 HN LEU 37 6.605 3.927 5.834 299 HA LEU 37 HA LEU 37 3.920 2.943 5.260 300 1HB LEU 37 HB2 LEU 37 4.822 2.200 7.547 301 2HB LEU 37 HB1 LEU 37 4.644 3.877 8.017 302 HG LEU 37 HG LEU 37 2.348 2.280 6.905 303 1HD1 LEU 37 HD11 LEU 37 1.660 1.714 9.101 304 2HD1 LEU 37 HD12 LEU 37 2.939 2.689 9.826 305 3HD1 LEU 37 HD13 LEU 37 3.344 1.211 8.952 306 1HD2 LEU 37 HD21 LEU 37 2.722 4.942 8.169 307 2HD2 LEU 37 HD22 LEU 37 1.229 4.065 8.502 308 3HD2 LEU 37 HD23 LEU 37 1.669 4.456 6.840 309 H VAL 38 HN VAL 38 4.025 4.702 3.780 310 HA VAL 38 HA VAL 38 4.312 7.382 4.784 311 HB VAL 38 HB VAL 38 3.451 8.006 2.457 312 1HG1 VAL 38 HG11 VAL 38 5.986 6.556 3.063 313 2HG1 VAL 38 HG12 VAL 38 5.723 8.259 2.688 314 3HG1 VAL 38 HG13 VAL 38 5.649 7.052 1.404 315 1HG2 VAL 38 HG21 VAL 38 2.683 5.378 2.362 316 2HG2 VAL 38 HG22 VAL 38 4.169 5.374 1.414 317 3HG2 VAL 38 HG23 VAL 38 2.843 6.447 0.970 318 H ASP 39 HN ASP 39 2.719 7.212 6.433 319 HA ASP 39 HA ASP 39 -0.057 6.913 5.731 320 1HB ASP 39 HB2 ASP 39 -0.415 7.637 8.139 321 2HB ASP 39 HB1 ASP 39 0.539 6.174 7.911 322 H ILE 40 HN ILE 40 -1.317 8.422 4.925 323 HA ILE 40 HA ILE 40 -0.429 11.154 4.735 324 HB ILE 40 HB ILE 40 -2.502 11.521 3.454 325 1HG1 ILE 40 HG12 ILE 40 -3.035 8.574 3.858 326 2HG1 ILE 40 HG11 ILE 40 -3.846 9.837 4.778 327 1HG2 ILE 40 HG21 ILE 40 -1.062 10.919 1.853 328 2HG2 ILE 40 HG22 ILE 40 -1.904 9.370 1.856 329 3HG2 ILE 40 HG23 ILE 40 -0.431 9.574 2.803 330 1HD1 ILE 40 HD11 ILE 40 -4.035 10.394 1.976 331 2HD1 ILE 40 HD12 ILE 40 -5.317 10.131 3.157 332 3HD1 ILE 40 HD13 ILE 40 -4.598 8.758 2.315 333 H SER 41 HN SER 41 -2.436 9.351 6.862 334 HA SER 41 HA SER 41 -4.225 11.342 7.711 335 1HB SER 41 HB2 SER 41 -4.344 8.875 8.260 336 2HB SER 41 HB1 SER 41 -3.074 9.154 9.452 337 HG SER 41 HG SER 41 -5.645 10.355 9.394 338 H GLN 42 HN GLN 42 -0.885 10.728 8.442 339 HA GLN 42 HA GLN 42 -0.598 12.183 10.809 340 1HB GLN 42 HB2 GLN 42 1.097 10.665 9.695 341 2HB GLN 42 HB1 GLN 42 1.459 11.998 8.610 342 1HG GLN 42 HG2 GLN 42 1.633 12.285 11.590 343 2HG GLN 42 HG1 GLN 42 2.974 11.667 10.626 344 1HE2 GLN 42 HE21 GLN 42 2.867 14.068 12.223 345 2HE2 GLN 42 HE22 GLN 42 3.169 15.390 11.152 346 H ASP 43 HN ASP 43 0.197 13.260 7.502 347 HA ASP 43 HA ASP 43 -0.159 16.035 8.404 348 1HB ASP 43 HB2 ASP 43 1.981 14.975 7.137 349 2HB ASP 43 HB1 ASP 43 1.039 15.507 5.748 350 H ASN 44 HN ASN 44 -1.775 17.239 7.632 351 HA ASN 44 HA ASN 44 -3.879 16.116 6.157 352 1HB ASN 44 HB2 ASN 44 -3.164 18.904 6.988 353 2HB ASN 44 HB1 ASN 44 -4.501 18.647 5.870 354 1HD2 ASN 44 HD21 ASN 44 -6.338 18.784 6.920 355 2HD2 ASN 44 HD22 ASN 44 -6.685 18.095 8.466 356 H ALA 45 HN ALA 45 -0.922 17.521 5.121 357 HA ALA 45 HA ALA 45 -1.819 18.321 2.516 358 1HB ALA 45 HB1 ALA 45 1.025 17.801 3.344 359 2HB ALA 45 HB2 ALA 45 0.162 19.285 3.746 360 3HB ALA 45 HB3 ALA 45 0.441 18.856 2.058 361 H LEU 46 HN LEU 46 -0.255 15.485 3.891 362 HA LEU 46 HA LEU 46 0.408 14.181 1.505 363 1HB LEU 46 HB2 LEU 46 -0.098 13.306 4.309 364 2HB LEU 46 HB1 LEU 46 -0.008 12.081 3.059 365 HG LEU 46 HG LEU 46 2.209 14.013 3.027 366 1HD1 LEU 46 HD11 LEU 46 2.403 13.984 5.286 367 2HD1 LEU 46 HD12 LEU 46 3.220 12.461 4.937 368 3HD1 LEU 46 HD13 LEU 46 1.534 12.459 5.454 369 1HD2 LEU 46 HD21 LEU 46 2.060 11.999 1.601 370 2HD2 LEU 46 HD22 LEU 46 2.134 11.000 3.053 371 3HD2 LEU 46 HD23 LEU 46 3.503 12.022 2.615 372 H ARG 47 HN ARG 47 -2.616 14.497 3.210 373 HA ARG 47 HA ARG 47 -4.030 12.390 2.001 374 1HB ARG 47 HB2 ARG 47 -4.619 14.637 3.707 375 2HB ARG 47 HB1 ARG 47 -5.858 14.483 2.469 376 1HG ARG 47 HG2 ARG 47 -6.460 12.337 3.173 377 2HG ARG 47 HG1 ARG 47 -4.974 12.130 4.101 378 1HD ARG 47 HD2 ARG 47 -6.262 12.677 5.857 379 2HD ARG 47 HD1 ARG 47 -6.028 14.329 5.288 380 HE ARG 47 HE ARG 47 -8.206 13.520 3.915 381 1HH1 ARG 47 HH11 ARG 47 -7.384 13.464 7.306 382 2HH1 ARG 47 HH12 ARG 47 -9.025 13.624 7.835 383 1HH2 ARG 47 HH21 ARG 47 -10.365 13.730 4.609 384 2HH2 ARG 47 HH22 ARG 47 -10.718 13.775 6.304 385 H ASP 48 HN ASP 48 -3.981 15.864 1.173 386 HA ASP 48 HA ASP 48 -5.325 15.332 -1.317 387 1HB ASP 48 HB2 ASP 48 -5.303 17.503 0.314 388 2HB ASP 48 HB1 ASP 48 -4.149 18.002 -0.919 389 H GLU 49 HN GLU 49 -2.304 14.888 -0.387 390 HA GLU 49 HA GLU 49 -1.061 15.768 -2.891 391 1HB GLU 49 HB2 GLU 49 0.074 16.361 -0.768 392 2HB GLU 49 HB1 GLU 49 0.238 14.650 -0.399 393 1HG GLU 49 HG2 GLU 49 2.270 14.946 -1.307 394 2HG GLU 49 HG1 GLU 49 1.391 14.686 -2.812 395 H MET 50 HN MET 50 -1.990 12.956 -1.073 396 HA MET 50 HA MET 50 -0.581 11.111 -2.803 397 1HB MET 50 HB2 MET 50 -0.808 10.576 -0.436 398 2HB MET 50 HB1 MET 50 -2.560 10.651 -0.563 399 1HG MET 50 HG2 MET 50 -1.859 8.811 -2.488 400 2HG MET 50 HG1 MET 50 -0.732 8.482 -1.174 401 1HE MET 50 HE1 MET 50 -4.615 6.806 -1.764 402 2HE MET 50 HE2 MET 50 -3.701 7.897 -2.806 403 3HE MET 50 HE3 MET 50 -4.967 8.534 -1.756 404 H ARG 51 HN ARG 51 -3.824 12.357 -2.357 405 HA ARG 51 HA ARG 51 -5.241 10.510 -3.910 406 1HB ARG 51 HB2 ARG 51 -5.705 13.170 -2.796 407 2HB ARG 51 HB1 ARG 51 -6.553 12.911 -4.314 408 1HG ARG 51 HG2 ARG 51 -7.954 12.326 -2.423 409 2HG ARG 51 HG1 ARG 51 -7.590 10.900 -3.397 410 1HD ARG 51 HD2 ARG 51 -5.751 10.373 -1.791 411 2HD ARG 51 HD1 ARG 51 -6.330 11.695 -0.779 412 HE ARG 51 HE ARG 51 -7.447 9.084 -0.985 413 1HH1 ARG 51 HH11 ARG 51 -8.270 12.435 -0.458 414 2HH1 ARG 51 HH12 ARG 51 -9.707 12.071 0.436 415 1HH2 ARG 51 HH21 ARG 51 -9.339 8.604 0.190 416 2HH2 ARG 51 HH22 ARG 51 -10.314 9.897 0.804 417 H ALA 52 HN ALA 52 -3.325 13.305 -4.806 418 HA ALA 52 HA ALA 52 -4.157 13.171 -7.581 419 1HB ALA 52 HB1 ALA 52 -3.780 15.363 -7.134 420 2HB ALA 52 HB2 ALA 52 -2.152 14.930 -7.656 421 3HB ALA 52 HB3 ALA 52 -2.533 15.019 -5.936 422 H LEU 53 HN LEU 53 -1.295 12.441 -5.641 423 HA LEU 53 HA LEU 53 0.457 11.817 -7.734 424 1HB LEU 53 HB2 LEU 53 0.544 11.807 -4.952 425 2HB LEU 53 HB1 LEU 53 0.842 10.137 -5.396 426 HG LEU 53 HG LEU 53 2.947 11.284 -5.161 427 1HD1 LEU 53 HD11 LEU 53 2.371 9.686 -7.176 428 2HD1 LEU 53 HD12 LEU 53 3.938 10.485 -7.056 429 3HD1 LEU 53 HD13 LEU 53 2.693 11.141 -8.119 430 1HD2 LEU 53 HD21 LEU 53 3.532 13.268 -6.240 431 2HD2 LEU 53 HD22 LEU 53 1.879 13.554 -5.698 432 3HD2 LEU 53 HD23 LEU 53 2.196 13.150 -7.385 433 H ALA 54 HN ALA 54 -2.120 9.989 -6.262 434 HA ALA 54 HA ALA 54 -1.321 7.541 -7.633 435 1HB ALA 54 HB1 ALA 54 -2.056 6.936 -5.555 436 2HB ALA 54 HB2 ALA 54 -3.556 6.775 -6.468 437 3HB ALA 54 HB3 ALA 54 -3.270 8.214 -5.489 438 H GLY 55 HN GLY 55 -2.536 10.139 -8.864 439 1HA GLY 55 HA2 GLY 55 -4.047 10.686 -10.513 440 2HA GLY 55 HA1 GLY 55 -3.729 9.055 -11.085 441 H ASN 56 HN ASN 56 -5.410 10.266 -8.191 442 HA ASN 56 HA ASN 56 -8.023 9.847 -9.017 443 1HB ASN 56 HB2 ASN 56 -7.373 7.465 -9.235 444 2HB ASN 56 HB1 ASN 56 -6.894 7.453 -7.542 445 1HD2 ASN 56 HD21 ASN 56 -8.329 6.598 -6.244 446 2HD2 ASN 56 HD22 ASN 56 -10.042 6.601 -6.465 447 HA PRO 57 HA PRO 57 -8.008 11.827 -5.073 448 1HB PRO 57 HB2 PRO 57 -10.351 13.203 -5.819 449 2HB PRO 57 HB1 PRO 57 -8.700 13.800 -5.886 450 1HG PRO 57 HG2 PRO 57 -10.355 13.330 -8.069 451 2HG PRO 57 HG1 PRO 57 -8.594 13.514 -8.125 452 1HD PRO 57 HD2 PRO 57 -10.246 11.031 -8.125 453 2HD PRO 57 HD1 PRO 57 -8.728 11.388 -8.979 454 H LYS 58 HN LYS 58 -9.443 9.224 -5.751 455 HA LYS 58 HA LYS 58 -11.380 9.385 -3.561 456 1HB LYS 58 HB2 LYS 58 -11.864 8.405 -6.345 457 2HB LYS 58 HB1 LYS 58 -12.697 7.621 -5.010 458 1HG LYS 58 HG2 LYS 58 -13.174 10.221 -4.440 459 2HG LYS 58 HG1 LYS 58 -13.111 10.269 -6.203 460 1HD LYS 58 HD2 LYS 58 -14.753 8.407 -6.259 461 2HD LYS 58 HD1 LYS 58 -14.875 8.510 -4.502 462 1HE LYS 58 HE2 LYS 58 -15.719 10.761 -4.645 463 2HE LYS 58 HE1 LYS 58 -15.461 10.786 -6.389 464 1HZ LYS 58 HZ1 LYS 58 -17.165 9.198 -6.706 465 2HZ LYS 58 HZ2 LYS 58 -17.798 10.367 -5.659 466 3HZ LYS 58 HZ3 LYS 58 -17.288 8.874 -5.049 467 H ALA 59 HN ALA 59 -8.576 8.177 -4.416 468 HA ALA 59 HA ALA 59 -8.776 5.385 -4.166 469 1HB ALA 59 HB1 ALA 59 -6.382 6.906 -3.212 470 2HB ALA 59 HB2 ALA 59 -6.790 6.855 -4.927 471 3HB ALA 59 HB3 ALA 59 -6.460 5.359 -4.054 472 H THR 60 HN THR 60 -7.070 4.624 -2.164 473 HA THR 60 HA THR 60 -8.325 5.524 0.331 474 HB THR 60 HB THR 60 -8.457 3.145 1.074 475 HG1 THR 60 HG1 THR 60 -8.258 1.536 -0.482 476 1HG2 THR 60 HG21 THR 60 -10.053 3.984 -1.315 477 2HG2 THR 60 HG22 THR 60 -10.530 3.957 0.382 478 3HG2 THR 60 HG23 THR 60 -10.324 2.444 -0.501 479 HA PRO 61 HA PRO 61 -4.416 5.632 2.334 480 1HB PRO 61 HB2 PRO 61 -5.355 3.403 4.091 481 2HB PRO 61 HB1 PRO 61 -4.595 4.936 4.528 482 1HG PRO 61 HG2 PRO 61 -7.221 4.592 4.812 483 2HG PRO 61 HG1 PRO 61 -6.556 6.140 4.261 484 1HD PRO 61 HD2 PRO 61 -7.983 4.036 2.721 485 2HD PRO 61 HD1 PRO 61 -7.944 5.792 2.469 486 HA PRO 62 HA PRO 62 -2.948 0.992 1.962 487 1HB PRO 62 HB2 PRO 62 -4.677 -0.636 0.571 488 2HB PRO 62 HB1 PRO 62 -4.571 -0.567 2.333 489 1HG PRO 62 HG2 PRO 62 -6.515 0.770 0.496 490 2HG PRO 62 HG1 PRO 62 -6.806 -0.013 2.060 491 1HD PRO 62 HD2 PRO 62 -6.677 2.653 1.825 492 2HD PRO 62 HD1 PRO 62 -6.051 1.817 3.259 493 H GLN 63 HN GLN 63 -1.772 2.431 0.508 494 HA GLN 63 HA GLN 63 -2.097 1.594 -2.285 495 1HB GLN 63 HB2 GLN 63 -1.667 4.443 -1.363 496 2HB GLN 63 HB1 GLN 63 -1.565 3.904 -3.034 497 1HG GLN 63 HG2 GLN 63 -4.060 3.194 -1.670 498 2HG GLN 63 HG1 GLN 63 -3.786 4.924 -1.862 499 1HE2 GLN 63 HE21 GLN 63 -5.238 2.379 -3.230 500 2HE2 GLN 63 HE22 GLN 63 -5.215 2.857 -4.889 501 H ILE 64 HN ILE 64 -0.295 0.546 -2.778 502 HA ILE 64 HA ILE 64 2.169 1.018 -1.368 503 HB ILE 64 HB ILE 64 1.734 -0.750 -3.775 504 1HG1 ILE 64 HG12 ILE 64 1.851 -2.012 -1.125 505 2HG1 ILE 64 HG11 ILE 64 0.427 -1.005 -1.368 506 1HG2 ILE 64 HG21 ILE 64 3.636 -1.965 -2.335 507 2HG2 ILE 64 HG22 ILE 64 3.959 -0.290 -1.887 508 3HG2 ILE 64 HG23 ILE 64 3.987 -0.771 -3.584 509 1HD1 ILE 64 HD11 ILE 64 -0.026 -2.272 -3.458 510 2HD1 ILE 64 HD12 ILE 64 -0.112 -3.239 -1.985 511 3HD1 ILE 64 HD13 ILE 64 1.304 -3.349 -3.031 512 H VAL 65 HN VAL 65 4.114 1.750 -2.226 513 HA VAL 65 HA VAL 65 4.054 2.956 -4.896 514 HB VAL 65 HB VAL 65 4.961 4.424 -2.415 515 1HG1 VAL 65 HG11 VAL 65 5.840 4.721 -5.047 516 2HG1 VAL 65 HG12 VAL 65 6.074 5.846 -3.711 517 3HG1 VAL 65 HG13 VAL 65 4.692 6.033 -4.790 518 1HG2 VAL 65 HG21 VAL 65 3.050 5.968 -3.605 519 2HG2 VAL 65 HG22 VAL 65 2.777 4.894 -2.233 520 3HG2 VAL 65 HG23 VAL 65 2.426 4.340 -3.871 521 H ASN 66 HN ASN 66 5.960 2.853 -5.977 522 HA ASN 66 HA ASN 66 8.222 1.618 -4.549 523 1HB ASN 66 HB2 ASN 66 6.877 0.595 -6.697 524 2HB ASN 66 HB1 ASN 66 8.205 1.437 -7.489 525 1HD2 ASN 66 HD21 ASN 66 7.302 -1.157 -5.379 526 2HD2 ASN 66 HD22 ASN 66 8.833 -1.958 -5.369 527 H GLY 67 HN GLY 67 9.064 3.660 -3.926 528 1HA GLY 67 HA2 GLY 67 10.909 5.079 -4.343 529 2HA GLY 67 HA1 GLY 67 10.611 4.921 -6.067 530 H ASP 68 HN ASP 68 9.049 6.225 -7.057 531 HA ASP 68 HA ASP 68 7.711 8.238 -5.427 532 1HB ASP 68 HB2 ASP 68 9.770 8.853 -7.541 533 2HB ASP 68 HB1 ASP 68 8.537 10.021 -7.075 534 H GLN 69 HN GLN 69 6.692 6.026 -6.874 535 HA GLN 69 HA GLN 69 4.913 7.452 -8.688 536 1HB GLN 69 HB2 GLN 69 6.990 5.679 -9.588 537 2HB GLN 69 HB1 GLN 69 5.421 4.984 -9.967 538 1HG GLN 69 HG2 GLN 69 4.821 6.764 -11.333 539 2HG GLN 69 HG1 GLN 69 6.035 7.834 -10.632 540 1HE2 GLN 69 HE21 GLN 69 5.305 6.438 -13.378 541 2HE2 GLN 69 HE22 GLN 69 6.870 6.065 -14.007 542 H TYR 70 HN TYR 70 3.034 6.064 -9.328 543 HA TYR 70 HA TYR 70 2.033 4.721 -6.988 544 1HB TYR 70 HB2 TYR 70 0.631 6.226 -8.405 545 2HB TYR 70 HB1 TYR 70 0.724 5.034 -9.696 546 HD1 TYR 70 HD1 TYR 70 -1.529 4.395 -9.909 547 HD2 TYR 70 HD2 TYR 70 0.300 4.371 -6.068 548 HE1 TYR 70 HE1 TYR 70 -3.495 3.242 -8.987 549 HE2 TYR 70 HE2 TYR 70 -1.660 3.217 -5.135 550 HH TYR 70 HH TYR 70 -4.595 2.898 -6.851 551 H CYS 71 HN CYS 71 2.893 2.756 -6.637 552 HA CYS 71 HA CYS 71 3.454 0.926 -8.786 553 1HB CYS 71 HB2 CYS 71 4.774 1.137 -6.618 554 2HB CYS 71 HB1 CYS 71 3.446 0.284 -5.839 555 HG CYS 71 HG CYS 71 4.874 -1.134 -8.186 556 H GLY 72 HN GLY 72 1.140 1.009 -6.071 557 1HA GLY 72 HA2 GLY 72 -0.974 -0.096 -7.538 558 2HA GLY 72 HA1 GLY 72 -0.152 -1.412 -6.714 559 H ASP 73 HN ASP 73 -2.074 -1.797 -5.523 560 HA ASP 73 HA ASP 73 -2.155 -0.345 -3.048 561 1HB ASP 73 HB2 ASP 73 -4.489 0.343 -3.163 562 2HB ASP 73 HB1 ASP 73 -3.586 1.072 -4.486 563 H TYR 74 HN TYR 74 -4.594 -1.230 -2.075 564 HA TYR 74 HA TYR 74 -4.033 -3.807 -1.233 565 1HB TYR 74 HB2 TYR 74 -5.578 -2.338 -0.046 566 2HB TYR 74 HB1 TYR 74 -6.720 -2.427 -1.382 567 HD1 TYR 74 HD1 TYR 74 -8.135 -4.352 -1.680 568 HD2 TYR 74 HD2 TYR 74 -5.234 -4.270 1.431 569 HE1 TYR 74 HE1 TYR 74 -9.197 -6.314 -0.646 570 HE2 TYR 74 HE2 TYR 74 -6.287 -6.232 2.473 571 HH TYR 74 HH TYR 74 -9.055 -7.200 2.194 572 H GLU 75 HN GLU 75 -6.448 -2.826 -3.677 573 HA GLU 75 HA GLU 75 -7.407 -5.285 -4.390 574 1HB GLU 75 HB2 GLU 75 -7.762 -2.740 -5.256 575 2HB GLU 75 HB1 GLU 75 -6.931 -3.441 -6.634 576 1HG GLU 75 HG2 GLU 75 -8.979 -5.215 -5.709 577 2HG GLU 75 HG1 GLU 75 -9.645 -3.608 -5.992 578 H LEU 76 HN LEU 76 -4.768 -3.585 -6.105 579 HA LEU 76 HA LEU 76 -4.074 -5.674 -7.805 580 1HB LEU 76 HB2 LEU 76 -2.268 -3.558 -6.631 581 2HB LEU 76 HB1 LEU 76 -1.889 -4.555 -8.023 582 HG LEU 76 HG LEU 76 -4.251 -3.444 -8.807 583 1HD1 LEU 76 HD11 LEU 76 -4.649 -1.412 -7.945 584 2HD1 LEU 76 HD12 LEU 76 -2.935 -1.021 -7.810 585 3HD1 LEU 76 HD13 LEU 76 -3.715 -2.003 -6.570 586 1HD2 LEU 76 HD21 LEU 76 -1.737 -3.537 -9.735 587 2HD2 LEU 76 HD22 LEU 76 -1.840 -1.822 -9.335 588 3HD2 LEU 76 HD23 LEU 76 -2.998 -2.537 -10.456 589 H PHE 77 HN PHE 77 -2.360 -4.724 -4.825 590 HA PHE 77 HA PHE 77 -0.585 -6.807 -4.647 591 1HB PHE 77 HB2 PHE 77 -0.452 -4.949 -3.128 592 2HB PHE 77 HB1 PHE 77 -2.027 -5.327 -2.441 593 HD1 PHE 77 HD1 PHE 77 1.384 -6.754 -2.868 594 HD2 PHE 77 HD2 PHE 77 -2.160 -6.601 -0.517 595 HE1 PHE 77 HE1 PHE 77 2.475 -8.125 -1.141 596 HE2 PHE 77 HE2 PHE 77 -1.075 -7.971 1.215 597 HZ PHE 77 HZ PHE 77 1.245 -8.735 0.904 598 H VAL 78 HN VAL 78 -3.844 -6.702 -3.199 599 HA VAL 78 HA VAL 78 -3.786 -9.357 -2.225 600 HB VAL 78 HB VAL 78 -6.213 -7.688 -2.913 601 1HG1 VAL 78 HG11 VAL 78 -7.205 -9.680 -2.511 602 2HG1 VAL 78 HG12 VAL 78 -6.963 -9.211 -0.828 603 3HG1 VAL 78 HG13 VAL 78 -5.825 -10.309 -1.610 604 1HG2 VAL 78 HG21 VAL 78 -5.999 -6.557 -0.974 605 2HG2 VAL 78 HG22 VAL 78 -4.294 -6.967 -1.155 606 3HG2 VAL 78 HG23 VAL 78 -5.330 -7.943 -0.114 607 H GLU 79 HN GLU 79 -4.680 -7.952 -5.298 608 HA GLU 79 HA GLU 79 -5.997 -10.286 -6.300 609 1HB GLU 79 HB2 GLU 79 -6.536 -8.073 -7.175 610 2HB GLU 79 HB1 GLU 79 -4.886 -7.881 -7.753 611 1HG GLU 79 HG2 GLU 79 -5.313 -8.989 -9.627 612 2HG GLU 79 HG1 GLU 79 -6.101 -10.307 -8.759 613 H ALA 80 HN ALA 80 -2.785 -9.636 -5.686 614 HA ALA 80 HA ALA 80 -1.778 -11.201 -7.939 615 1HB ALA 80 HB1 ALA 80 -0.707 -9.032 -7.120 616 2HB ALA 80 HB2 ALA 80 0.361 -10.405 -7.407 617 3HB ALA 80 HB3 ALA 80 -0.110 -9.983 -5.761 618 H VAL 81 HN VAL 81 -1.493 -11.201 -4.380 619 HA VAL 81 HA VAL 81 -0.166 -13.598 -4.031 620 HB VAL 81 HB VAL 81 -2.421 -12.906 -2.179 621 1HG1 VAL 81 HG11 VAL 81 -1.349 -14.679 -1.258 622 2HG1 VAL 81 HG12 VAL 81 -0.328 -13.397 -0.607 623 3HG1 VAL 81 HG13 VAL 81 0.188 -14.298 -2.033 624 1HG2 VAL 81 HG21 VAL 81 -0.144 -11.180 -2.874 625 2HG2 VAL 81 HG22 VAL 81 -0.391 -11.440 -1.147 626 3HG2 VAL 81 HG23 VAL 81 -1.693 -10.776 -2.135 627 H GLU 82 HN GLU 82 -3.535 -13.021 -4.688 628 HA GLU 82 HA GLU 82 -4.666 -15.475 -4.096 629 1HB GLU 82 HB2 GLU 82 -6.267 -14.860 -6.026 630 2HB GLU 82 HB1 GLU 82 -6.173 -13.789 -4.634 631 1HG GLU 82 HG2 GLU 82 -5.587 -12.091 -5.916 632 2HG GLU 82 HG1 GLU 82 -4.227 -12.997 -6.578 633 H GLN 83 HN GLN 83 -3.237 -14.448 -7.200 634 HA GLN 83 HA GLN 83 -3.404 -17.216 -8.146 635 1HB GLN 83 HB2 GLN 83 -3.980 -14.855 -9.410 636 2HB GLN 83 HB1 GLN 83 -2.350 -15.176 -9.981 637 1HG GLN 83 HG2 GLN 83 -2.965 -17.071 -11.111 638 2HG GLN 83 HG1 GLN 83 -4.357 -17.370 -10.070 639 1HE2 GLN 83 HE21 GLN 83 -6.091 -17.331 -11.312 640 2HE2 GLN 83 HE22 GLN 83 -6.479 -16.114 -12.476 641 H ASN 84 HN ASN 84 -1.344 -15.633 -6.335 642 HA ASN 84 HA ASN 84 0.808 -16.012 -5.760 643 1HB ASN 84 HB2 ASN 84 1.162 -17.742 -8.205 644 2HB ASN 84 HB1 ASN 84 2.073 -17.789 -6.699 645 1HD2 ASN 84 HD21 ASN 84 1.148 -20.104 -7.592 646 2HD2 ASN 84 HD22 ASN 84 -0.200 -20.651 -6.659 647 H THR 85 HN THR 85 -0.269 -14.091 -7.830 648 HA THR 85 HA THR 85 1.977 -13.560 -9.540 649 HB THR 85 HB THR 85 -0.167 -11.538 -9.071 650 HG1 THR 85 HG1 THR 85 -1.700 -12.751 -9.846 651 1HG2 THR 85 HG21 THR 85 1.166 -10.821 -10.789 652 2HG2 THR 85 HG22 THR 85 -0.091 -11.693 -11.666 653 3HG2 THR 85 HG23 THR 85 1.473 -12.454 -11.379 654 H LEU 86 HN LEU 86 1.034 -12.782 -6.362 655 HA LEU 86 HA LEU 86 1.788 -10.357 -5.640 656 1HB LEU 86 HB2 LEU 86 1.410 -12.526 -4.242 657 2HB LEU 86 HB1 LEU 86 3.159 -12.599 -4.223 658 HG LEU 86 HG LEU 86 1.566 -10.232 -3.246 659 1HD1 LEU 86 HD11 LEU 86 2.982 -12.123 -1.430 660 2HD1 LEU 86 HD12 LEU 86 1.372 -12.537 -2.023 661 3HD1 LEU 86 HD13 LEU 86 1.619 -11.051 -1.105 662 1HD2 LEU 86 HD21 LEU 86 3.777 -9.780 -2.079 663 2HD2 LEU 86 HD22 LEU 86 3.730 -9.512 -3.822 664 3HD2 LEU 86 HD23 LEU 86 4.477 -10.973 -3.174 665 H GLN 87 HN GLN 87 4.204 -12.867 -6.420 666 HA GLN 87 HA GLN 87 6.505 -11.412 -5.905 667 1HB GLN 87 HB2 GLN 87 6.765 -13.709 -6.416 668 2HB GLN 87 HB1 GLN 87 5.924 -13.544 -7.952 669 1HG GLN 87 HG2 GLN 87 7.755 -12.379 -8.923 670 2HG GLN 87 HG1 GLN 87 8.563 -12.229 -7.364 671 1HE2 GLN 87 HE21 GLN 87 7.402 -14.616 -9.697 672 2HE2 GLN 87 HE22 GLN 87 8.638 -15.783 -9.389 673 H GLU 88 HN GLU 88 4.760 -11.675 -8.999 674 HA GLU 88 HA GLU 88 6.280 -10.031 -10.576 675 1HB GLU 88 HB2 GLU 88 3.496 -10.918 -10.546 676 2HB GLU 88 HB1 GLU 88 3.707 -9.357 -11.327 677 1HG GLU 88 HG2 GLU 88 5.611 -11.475 -12.093 678 2HG GLU 88 HG1 GLU 88 3.938 -11.693 -12.604 679 H PHE 89 HN PHE 89 4.304 -9.144 -7.887 680 HA PHE 89 HA PHE 89 4.461 -6.304 -8.567 681 1HB PHE 89 HB2 PHE 89 2.276 -7.299 -7.866 682 2HB PHE 89 HB1 PHE 89 2.983 -7.640 -6.292 683 HD1 PHE 89 HD1 PHE 89 1.374 -5.202 -8.360 684 HD2 PHE 89 HD2 PHE 89 3.765 -5.709 -4.877 685 HE1 PHE 89 HE1 PHE 89 0.714 -2.964 -7.586 686 HE2 PHE 89 HE2 PHE 89 3.110 -3.470 -4.097 687 HZ PHE 89 HZ PHE 89 1.582 -2.093 -5.452 688 H LEU 90 HN LEU 90 5.812 -8.683 -6.451 689 HA LEU 90 HA LEU 90 7.003 -6.623 -4.745 690 1HB LEU 90 HB2 LEU 90 6.221 -9.399 -4.391 691 2HB LEU 90 HB1 LEU 90 7.845 -9.094 -3.806 692 HG LEU 90 HG LEU 90 6.970 -7.271 -2.383 693 1HD1 LEU 90 HD11 LEU 90 4.999 -6.386 -2.891 694 2HD1 LEU 90 HD12 LEU 90 4.249 -7.844 -2.241 695 3HD1 LEU 90 HD13 LEU 90 4.602 -7.726 -3.965 696 1HD2 LEU 90 HD21 LEU 90 7.153 -9.085 -1.051 697 2HD2 LEU 90 HD22 LEU 90 6.198 -10.107 -2.126 698 3HD2 LEU 90 HD23 LEU 90 5.392 -8.975 -1.039 699 H LYS 91 HN LYS 91 8.203 -9.719 -6.062 700 HA LYS 91 HA LYS 91 10.848 -8.510 -6.340 701 1HB LYS 91 HB2 LYS 91 10.267 -11.389 -6.927 702 2HB LYS 91 HB1 LYS 91 11.745 -10.657 -6.324 703 1HG LYS 91 HG2 LYS 91 9.245 -10.703 -4.674 704 2HG LYS 91 HG1 LYS 91 10.357 -12.073 -4.714 705 1HD LYS 91 HD2 LYS 91 11.608 -9.445 -4.276 706 2HD LYS 91 HD1 LYS 91 10.550 -10.003 -2.979 707 1HE LYS 91 HE2 LYS 91 12.740 -11.690 -4.172 708 2HE LYS 91 HE1 LYS 91 12.977 -10.651 -2.768 709 1HZ LYS 91 HZ1 LYS 91 10.712 -12.461 -2.628 710 2HZ LYS 91 HZ2 LYS 91 11.840 -12.041 -1.439 711 3HZ LYS 91 HZ3 LYS 91 12.235 -13.199 -2.607 712 H LEU 92 HN LEU 92 8.182 -8.872 -8.260 713 HA LEU 92 HA LEU 92 7.792 -8.822 -10.498 714 1HB LEU 92 HB2 LEU 92 10.604 -7.818 -10.821 715 2HB LEU 92 HB1 LEU 92 9.199 -7.447 -11.801 716 HG LEU 92 HG LEU 92 9.519 -5.495 -10.584 717 1HD1 LEU 92 HD11 LEU 92 7.223 -6.068 -10.387 718 2HD1 LEU 92 HD12 LEU 92 7.741 -5.453 -8.818 719 3HD1 LEU 92 HD13 LEU 92 7.548 -7.189 -9.064 720 1HD2 LEU 92 HD21 LEU 92 9.735 -6.783 -7.923 721 2HD2 LEU 92 HD22 LEU 92 10.467 -5.295 -8.526 722 3HD2 LEU 92 HD23 LEU 92 11.135 -6.860 -8.993 723 H ALA 93 HN ALA 93 9.246 -11.200 -9.287 724 HA ALA 93 HA ALA 93 10.276 -13.131 -9.943 725 1HB ALA 93 HB1 ALA 93 9.150 -12.873 -12.670 726 2HB ALA 93 HB2 ALA 93 8.016 -12.837 -11.319 727 3HB ALA 93 HB3 ALA 93 9.085 -14.223 -11.536 728 H LEU 94 HN LEU 94 12.139 -11.224 -10.053 729 HA LEU 94 HA LEU 94 13.355 -11.113 -12.676 730 1HB LEU 94 HB2 LEU 94 13.384 -9.393 -10.610 731 2HB LEU 94 HB1 LEU 94 14.873 -10.259 -10.280 732 HG LEU 94 HG LEU 94 14.202 -8.741 -12.801 733 1HD1 LEU 94 HD11 LEU 94 15.027 -7.709 -10.460 734 2HD1 LEU 94 HD12 LEU 94 15.473 -7.046 -12.033 735 3HD1 LEU 94 HD13 LEU 94 16.584 -8.119 -11.181 736 1HD2 LEU 94 HD21 LEU 94 16.793 -10.122 -12.145 737 2HD2 LEU 94 HD22 LEU 94 16.314 -9.368 -13.666 738 3HD2 LEU 94 HD23 LEU 94 15.533 -10.857 -13.136 739 H GLU 95 HN GLU 95 13.266 -13.642 -12.435 740 HA GLU 95 HA GLU 95 14.436 -15.591 -12.380 741 1HB GLU 95 HB2 GLU 95 16.731 -13.633 -12.307 742 2HB GLU 95 HB1 GLU 95 16.961 -15.372 -12.424 743 1HG GLU 95 HG2 GLU 95 15.984 -15.474 -14.547 744 2HG GLU 95 HG1 GLU 95 15.266 -13.872 -14.387 Start of MODEL 10 1 1H MET 1 HT1 MET 1 17.943 -5.212 -0.903 2 2H MET 1 HT2 MET 1 19.026 -5.007 0.413 3 3H MET 1 HT3 MET 1 19.323 -4.211 -1.078 4 HA MET 1 HA MET 1 17.213 -3.695 0.894 5 1HB MET 1 HB2 MET 1 19.787 -2.676 0.428 6 2HB MET 1 HB1 MET 1 18.689 -1.455 -0.200 7 1HG MET 1 HG2 MET 1 18.196 -2.610 2.500 8 2HG MET 1 HG1 MET 1 19.462 -1.402 2.288 9 1HE MET 1 HE1 MET 1 18.674 0.028 3.827 10 2HE MET 1 HE2 MET 1 16.982 -0.150 4.291 11 3HE MET 1 HE3 MET 1 17.527 1.325 3.492 12 H SER 2 HN SER 2 15.309 -2.992 0.179 13 HA SER 2 HA SER 2 15.134 -1.949 -2.570 14 1HB SER 2 HB2 SER 2 13.313 -3.904 -1.166 15 2HB SER 2 HB1 SER 2 12.790 -2.982 -2.575 16 HG SER 2 HG SER 2 15.142 -4.554 -2.570 17 H GLY 3 HN GLY 3 12.750 -0.951 -2.793 18 1HA GLY 3 HA2 GLY 3 12.223 0.677 -0.394 19 2HA GLY 3 HA1 GLY 3 12.448 1.451 -1.954 20 H LEU 4 HN LEU 4 10.129 1.289 -0.052 21 HA LEU 4 HA LEU 4 8.102 0.954 -2.061 22 1HB LEU 4 HB2 LEU 4 8.497 -1.061 0.093 23 2HB LEU 4 HB1 LEU 4 6.851 -0.609 -0.305 24 HG LEU 4 HG LEU 4 8.239 -1.151 -2.741 25 1HD1 LEU 4 HD11 LEU 4 9.642 -2.483 -0.994 26 2HD1 LEU 4 HD12 LEU 4 9.140 -3.253 -2.500 27 3HD1 LEU 4 HD13 LEU 4 8.260 -3.578 -1.007 28 1HD2 LEU 4 HD21 LEU 4 6.011 -1.523 -2.913 29 2HD2 LEU 4 HD22 LEU 4 5.867 -2.107 -1.255 30 3HD2 LEU 4 HD23 LEU 4 6.503 -3.169 -2.511 31 H ARG 5 HN ARG 5 6.540 2.409 -1.710 32 HA ARG 5 HA ARG 5 6.368 3.596 0.980 33 1HB ARG 5 HB2 ARG 5 5.356 4.985 -1.472 34 2HB ARG 5 HB1 ARG 5 5.916 5.676 0.044 35 1HG ARG 5 HG2 ARG 5 8.178 4.472 -0.852 36 2HG ARG 5 HG1 ARG 5 7.411 4.951 -2.368 37 1HD ARG 5 HD2 ARG 5 7.068 7.221 -1.050 38 2HD ARG 5 HD1 ARG 5 8.462 6.628 -0.148 39 HE ARG 5 HE ARG 5 8.433 7.610 -2.848 40 1HH1 ARG 5 HH11 ARG 5 10.117 5.580 -0.564 41 2HH1 ARG 5 HH12 ARG 5 11.633 5.689 -1.394 42 1HH2 ARG 5 HH21 ARG 5 10.425 7.755 -3.942 43 2HH2 ARG 5 HH22 ARG 5 11.808 6.924 -3.312 44 H VAL 6 HN VAL 6 4.840 2.059 1.715 45 HA VAL 6 HA VAL 6 2.298 1.831 0.343 46 HB VAL 6 HB VAL 6 3.067 0.740 3.055 47 1HG1 VAL 6 HG11 VAL 6 0.823 0.443 3.079 48 2HG1 VAL 6 HG12 VAL 6 1.232 -0.965 2.098 49 3HG1 VAL 6 HG13 VAL 6 0.683 0.521 1.323 50 1HG2 VAL 6 HG21 VAL 6 3.687 -1.295 2.005 51 2HG2 VAL 6 HG22 VAL 6 4.534 -0.009 1.147 52 3HG2 VAL 6 HG23 VAL 6 3.098 -0.746 0.437 53 H TYR 7 HN TYR 7 0.627 3.144 0.663 54 HA TYR 7 HA TYR 7 0.753 5.191 2.682 55 1HB TYR 7 HB2 TYR 7 -1.139 4.536 0.448 56 2HB TYR 7 HB1 TYR 7 -1.602 5.702 1.681 57 HD1 TYR 7 HD1 TYR 7 -0.232 7.776 1.980 58 HD2 TYR 7 HD2 TYR 7 0.372 5.116 -1.285 59 HE1 TYR 7 HE1 TYR 7 0.987 9.540 0.777 60 HE2 TYR 7 HE2 TYR 7 1.594 6.873 -2.497 61 HH TYR 7 HH TYR 7 2.992 9.163 -1.504 62 H SER 8 HN SER 8 -0.714 5.543 4.356 63 HA SER 8 HA SER 8 -2.701 3.530 4.973 64 1HB SER 8 HB2 SER 8 -1.778 2.707 6.962 65 2HB SER 8 HB1 SER 8 -0.387 2.772 5.880 66 HG SER 8 HG SER 8 -0.741 4.014 8.216 67 H THR 9 HN THR 9 -3.543 4.091 7.361 68 HA THR 9 HA THR 9 -3.688 7.012 7.630 69 HB THR 9 HB THR 9 -5.685 6.409 6.432 70 HG1 THR 9 HG1 THR 9 -6.347 6.693 9.174 71 1HG2 THR 9 HG21 THR 9 -5.649 4.060 8.118 72 2HG2 THR 9 HG22 THR 9 -6.482 4.348 6.591 73 3HG2 THR 9 HG23 THR 9 -7.224 4.853 8.109 74 H SER 10 HN SER 10 -2.538 7.159 9.496 75 HA SER 10 HA SER 10 -2.592 5.363 11.635 76 1HB SER 10 HB2 SER 10 -0.938 7.277 11.176 77 2HB SER 10 HB1 SER 10 -2.111 8.319 11.981 78 HG SER 10 HG SER 10 -1.348 7.615 13.794 79 H VAL 11 HN VAL 11 -4.717 8.005 10.808 80 HA VAL 11 HA VAL 11 -6.312 7.421 13.219 81 HB VAL 11 HB VAL 11 -6.262 10.057 11.750 82 1HG1 VAL 11 HG11 VAL 11 -8.204 9.091 13.345 83 2HG1 VAL 11 HG12 VAL 11 -7.809 10.804 13.213 84 3HG1 VAL 11 HG13 VAL 11 -7.163 9.850 14.549 85 1HG2 VAL 11 HG21 VAL 11 -5.144 10.643 14.113 86 2HG2 VAL 11 HG22 VAL 11 -4.204 10.215 12.684 87 3HG2 VAL 11 HG23 VAL 11 -4.546 8.996 13.912 88 H THR 12 HN THR 12 -7.327 5.754 11.889 89 HA THR 12 HA THR 12 -8.851 6.507 9.582 90 HB THR 12 HB THR 12 -9.411 4.008 11.127 91 HG1 THR 12 HG1 THR 12 -7.534 3.119 10.595 92 1HG2 THR 12 HG21 THR 12 -8.876 3.470 8.441 93 2HG2 THR 12 HG22 THR 12 -9.851 4.940 8.456 94 3HG2 THR 12 HG23 THR 12 -10.444 3.481 9.249 95 H GLY 13 HN GLY 13 -11.266 5.842 9.551 96 1HA GLY 13 HA2 GLY 13 -12.638 6.477 12.051 97 2HA GLY 13 HA1 GLY 13 -12.883 7.583 10.707 98 H SER 14 HN SER 14 -12.447 4.175 10.152 99 HA SER 14 HA SER 14 -15.336 3.820 9.799 100 1HB SER 14 HB2 SER 14 -14.953 2.700 7.625 101 2HB SER 14 HB1 SER 14 -14.457 4.391 7.591 102 HG SER 14 HG SER 14 -12.642 2.295 8.142 103 H ARG 15 HN ARG 15 -15.454 1.297 8.871 104 HA ARG 15 HA ARG 15 -13.989 -0.268 10.869 105 1HB ARG 15 HB2 ARG 15 -16.807 -0.600 9.895 106 2HB ARG 15 HB1 ARG 15 -15.981 -1.795 10.885 107 1HG ARG 15 HG2 ARG 15 -15.861 -0.311 12.732 108 2HG ARG 15 HG1 ARG 15 -16.377 1.058 11.747 109 1HD ARG 15 HD2 ARG 15 -18.133 0.043 13.261 110 2HD ARG 15 HD1 ARG 15 -18.577 0.229 11.565 111 HE ARG 15 HE ARG 15 -18.795 -2.036 11.433 112 1HH1 ARG 15 HH11 ARG 15 -16.801 -1.288 14.199 113 2HH1 ARG 15 HH12 ARG 15 -16.719 -2.931 14.740 114 1HH2 ARG 15 HH21 ARG 15 -18.688 -4.196 12.145 115 2HH2 ARG 15 HH22 ARG 15 -17.790 -4.582 13.574 116 H GLU 16 HN GLU 16 -14.607 0.170 7.678 117 HA GLU 16 HA GLU 16 -13.921 -2.563 6.902 118 1HB GLU 16 HB2 GLU 16 -15.079 -0.217 5.435 119 2HB GLU 16 HB1 GLU 16 -14.323 -1.529 4.542 120 1HG GLU 16 HG2 GLU 16 -15.924 -3.073 5.204 121 2HG GLU 16 HG1 GLU 16 -16.450 -2.087 6.567 122 H ILE 17 HN ILE 17 -12.655 0.668 6.985 123 HA ILE 17 HA ILE 17 -10.433 0.119 5.235 124 HB ILE 17 HB ILE 17 -10.887 2.449 7.103 125 1HG1 ILE 17 HG12 ILE 17 -11.456 2.124 4.148 126 2HG1 ILE 17 HG11 ILE 17 -12.651 2.295 5.430 127 1HG2 ILE 17 HG21 ILE 17 -9.254 3.581 5.550 128 2HG2 ILE 17 HG22 ILE 17 -8.888 1.983 4.900 129 3HG2 ILE 17 HG23 ILE 17 -8.571 2.338 6.598 130 1HD1 ILE 17 HD11 ILE 17 -12.625 4.432 4.712 131 2HD1 ILE 17 HD12 ILE 17 -10.967 4.331 4.118 132 3HD1 ILE 17 HD13 ILE 17 -11.276 4.539 5.842 133 H LYS 18 HN LYS 18 -11.040 0.185 8.690 134 HA LYS 18 HA LYS 18 -8.387 0.140 9.595 135 1HB LYS 18 HB2 LYS 18 -11.041 -0.474 10.724 136 2HB LYS 18 HB1 LYS 18 -9.695 -1.291 11.507 137 1HG LYS 18 HG2 LYS 18 -8.766 0.667 12.267 138 2HG LYS 18 HG1 LYS 18 -9.524 1.641 11.005 139 1HD LYS 18 HD2 LYS 18 -11.403 1.952 12.204 140 2HD LYS 18 HD1 LYS 18 -11.408 0.295 12.810 141 1HE LYS 18 HE2 LYS 18 -9.627 0.906 14.404 142 2HE LYS 18 HE1 LYS 18 -9.705 2.569 13.825 143 1HZ LYS 18 HZ1 LYS 18 -12.060 2.601 14.523 144 2HZ LYS 18 HZ2 LYS 18 -10.990 2.379 15.813 145 3HZ LYS 18 HZ3 LYS 18 -11.861 1.064 15.202 146 H SER 19 HN SER 19 -10.459 -2.376 8.346 147 HA SER 19 HA SER 19 -8.563 -4.462 9.090 148 1HB SER 19 HB2 SER 19 -11.183 -4.620 9.128 149 2HB SER 19 HB1 SER 19 -10.994 -4.961 7.408 150 HG SER 19 HG SER 19 -9.757 -6.379 9.535 151 H GLN 20 HN GLN 20 -9.609 -2.640 6.307 152 HA GLN 20 HA GLN 20 -8.463 -4.315 4.324 153 1HB GLN 20 HB2 GLN 20 -9.870 -1.808 4.426 154 2HB GLN 20 HB1 GLN 20 -8.476 -1.660 3.365 155 1HG GLN 20 HG2 GLN 20 -10.182 -2.334 1.950 156 2HG GLN 20 HG1 GLN 20 -9.305 -3.826 2.286 157 1HE2 GLN 20 HE21 GLN 20 -12.205 -1.998 2.921 158 2HE2 GLN 20 HE22 GLN 20 -13.137 -3.314 3.540 159 H GLN 21 HN GLN 21 -7.212 -1.771 6.358 160 HA GLN 21 HA GLN 21 -4.706 -1.662 4.874 161 1HB GLN 21 HB2 GLN 21 -4.094 0.093 6.532 162 2HB GLN 21 HB1 GLN 21 -5.558 0.457 5.629 163 1HG GLN 21 HG2 GLN 21 -6.638 0.756 7.529 164 2HG GLN 21 HG1 GLN 21 -6.350 -0.931 7.950 165 1HE2 GLN 21 HE21 GLN 21 -6.350 1.745 9.431 166 2HE2 GLN 21 HE22 GLN 21 -4.894 1.692 10.360 167 H SER 22 HN SER 22 -6.007 -2.888 7.886 168 HA SER 22 HA SER 22 -3.556 -3.465 9.160 169 1HB SER 22 HB2 SER 22 -4.849 -4.845 10.666 170 2HB SER 22 HB1 SER 22 -5.786 -3.398 10.295 171 HG SER 22 HG SER 22 -6.103 -5.967 9.129 172 H GLU 23 HN GLU 23 -5.458 -5.173 6.778 173 HA GLU 23 HA GLU 23 -4.173 -7.690 7.042 174 1HB GLU 23 HB2 GLU 23 -6.407 -7.029 5.846 175 2HB GLU 23 HB1 GLU 23 -5.363 -6.757 4.457 176 1HG GLU 23 HG2 GLU 23 -6.195 -8.949 4.251 177 2HG GLU 23 HG1 GLU 23 -4.516 -9.101 4.768 178 H VAL 24 HN VAL 24 -3.654 -4.909 4.909 179 HA VAL 24 HA VAL 24 -1.677 -6.000 3.272 180 HB VAL 24 HB VAL 24 -1.787 -3.122 4.176 181 1HG1 VAL 24 HG11 VAL 24 -0.495 -4.575 1.912 182 2HG1 VAL 24 HG12 VAL 24 0.157 -3.311 2.955 183 3HG1 VAL 24 HG13 VAL 24 -1.007 -2.902 1.695 184 1HG2 VAL 24 HG21 VAL 24 -3.936 -3.358 3.421 185 2HG2 VAL 24 HG22 VAL 24 -3.520 -4.666 2.313 186 3HG2 VAL 24 HG23 VAL 24 -3.114 -3.000 1.903 187 H THR 25 HN THR 25 -1.283 -4.054 6.234 188 HA THR 25 HA THR 25 1.522 -4.229 6.332 189 HB THR 25 HB THR 25 1.091 -3.768 8.855 190 HG1 THR 25 HG1 THR 25 -1.015 -4.416 9.027 191 1HG2 THR 25 HG21 THR 25 0.759 -2.047 6.545 192 2HG2 THR 25 HG22 THR 25 1.603 -1.759 8.067 193 3HG2 THR 25 HG23 THR 25 -0.135 -1.481 7.957 194 H ARG 26 HN ARG 26 -1.000 -6.389 7.397 195 HA ARG 26 HA ARG 26 0.464 -7.976 9.183 196 1HB ARG 26 HB2 ARG 26 -2.112 -7.938 8.364 197 2HB ARG 26 HB1 ARG 26 -1.534 -9.344 7.480 198 1HG ARG 26 HG2 ARG 26 -1.354 -10.600 9.331 199 2HG ARG 26 HG1 ARG 26 -0.767 -9.256 10.313 200 1HD ARG 26 HD2 ARG 26 -2.848 -9.730 11.238 201 2HD ARG 26 HD1 ARG 26 -3.178 -8.371 10.164 202 HE ARG 26 HE ARG 26 -4.481 -9.746 8.875 203 1HH1 ARG 26 HH11 ARG 26 -2.562 -11.700 11.037 204 2HH1 ARG 26 HH12 ARG 26 -3.394 -13.169 10.650 205 1HH2 ARG 26 HH21 ARG 26 -5.577 -11.677 8.364 206 2HH2 ARG 26 HH22 ARG 26 -5.105 -13.156 9.132 207 H ILE 27 HN ILE 27 -0.068 -8.341 5.686 208 HA ILE 27 HA ILE 27 1.506 -10.693 5.441 209 HB ILE 27 HB ILE 27 0.856 -8.704 3.265 210 1HG1 ILE 27 HG12 ILE 27 -0.722 -11.133 4.143 211 2HG1 ILE 27 HG11 ILE 27 -1.170 -9.465 4.488 212 1HG2 ILE 27 HG21 ILE 27 0.906 -10.953 1.949 213 2HG2 ILE 27 HG22 ILE 27 1.884 -11.507 3.308 214 3HG2 ILE 27 HG23 ILE 27 2.415 -10.129 2.343 215 1HD1 ILE 27 HD11 ILE 27 -1.736 -9.030 2.295 216 2HD1 ILE 27 HD12 ILE 27 -2.275 -10.695 2.511 217 3HD1 ILE 27 HD13 ILE 27 -0.761 -10.360 1.671 218 H LEU 28 HN LEU 28 2.162 -7.262 4.790 219 HA LEU 28 HA LEU 28 4.770 -7.565 3.820 220 1HB LEU 28 HB2 LEU 28 3.475 -5.273 5.291 221 2HB LEU 28 HB1 LEU 28 5.062 -5.179 4.551 222 HG LEU 28 HG LEU 28 2.815 -6.045 2.814 223 1HD1 LEU 28 HD11 LEU 28 2.227 -3.674 2.376 224 2HD1 LEU 28 HD12 LEU 28 3.176 -3.218 3.791 225 3HD1 LEU 28 HD13 LEU 28 1.749 -4.238 3.976 226 1HD2 LEU 28 HD21 LEU 28 4.681 -5.908 1.540 227 2HD2 LEU 28 HD22 LEU 28 5.442 -4.710 2.586 228 3HD2 LEU 28 HD23 LEU 28 4.199 -4.215 1.438 229 H ASP 29 HN ASP 29 3.578 -7.049 7.117 230 HA ASP 29 HA ASP 29 6.130 -6.920 8.337 231 1HB ASP 29 HB2 ASP 29 3.784 -6.234 9.256 232 2HB ASP 29 HB1 ASP 29 3.695 -7.912 9.786 233 H GLY 30 HN GLY 30 3.789 -9.568 7.947 234 1HA GLY 30 HA2 GLY 30 5.211 -11.541 9.331 235 2HA GLY 30 HA1 GLY 30 4.055 -11.846 8.042 236 H LYS 31 HN LYS 31 5.523 -10.390 6.026 237 HA LYS 31 HA LYS 31 7.270 -12.483 5.179 238 1HB LYS 31 HB2 LYS 31 6.366 -9.870 4.055 239 2HB LYS 31 HB1 LYS 31 7.794 -10.629 3.365 240 1HG LYS 31 HG2 LYS 31 6.593 -12.491 2.627 241 2HG LYS 31 HG1 LYS 31 5.222 -12.134 3.679 242 1HD LYS 31 HD2 LYS 31 4.328 -11.295 1.784 243 2HD LYS 31 HD1 LYS 31 5.294 -9.879 2.200 244 1HE LYS 31 HE2 LYS 31 5.665 -10.409 -0.111 245 2HE LYS 31 HE1 LYS 31 7.130 -10.783 0.797 246 1HZ LYS 31 HZ1 LYS 31 5.214 -12.951 0.459 247 2HZ LYS 31 HZ2 LYS 31 6.905 -12.985 0.427 248 3HZ LYS 31 HZ3 LYS 31 6.045 -12.459 -0.931 249 H ARG 32 HN ARG 32 7.719 -9.859 7.229 250 HA ARG 32 HA ARG 32 9.552 -8.977 8.239 251 1HB ARG 32 HB2 ARG 32 11.120 -11.120 6.797 252 2HB ARG 32 HB1 ARG 32 11.638 -10.208 8.208 253 1HG ARG 32 HG2 ARG 32 10.850 -11.858 9.455 254 2HG ARG 32 HG1 ARG 32 9.227 -11.363 8.969 255 1HD ARG 32 HD2 ARG 32 9.671 -12.825 6.879 256 2HD ARG 32 HD1 ARG 32 10.955 -13.540 7.853 257 HE ARG 32 HE ARG 32 8.805 -13.686 9.481 258 1HH1 ARG 32 HH11 ARG 32 9.355 -14.669 6.178 259 2HH1 ARG 32 HH12 ARG 32 8.236 -15.988 6.252 260 1HH2 ARG 32 HH21 ARG 32 7.333 -15.420 9.581 261 2HH2 ARG 32 HH22 ARG 32 7.087 -16.414 8.184 262 H ILE 33 HN ILE 33 8.674 -7.739 5.946 263 HA ILE 33 HA ILE 33 11.008 -7.152 4.312 264 HB ILE 33 HB ILE 33 8.243 -5.961 4.097 265 1HG1 ILE 33 HG12 ILE 33 9.431 -8.353 2.674 266 2HG1 ILE 33 HG11 ILE 33 8.119 -8.391 3.848 267 1HG2 ILE 33 HG21 ILE 33 9.007 -5.580 1.723 268 2HG2 ILE 33 HG22 ILE 33 10.631 -6.002 2.268 269 3HG2 ILE 33 HG23 ILE 33 9.806 -4.602 2.953 270 1HD1 ILE 33 HD11 ILE 33 7.886 -6.806 1.323 271 2HD1 ILE 33 HD12 ILE 33 6.609 -7.427 2.370 272 3HD1 ILE 33 HD13 ILE 33 7.539 -8.535 1.361 273 H GLN 34 HN GLN 34 11.632 -4.937 3.910 274 HA GLN 34 HA GLN 34 11.350 -3.264 6.317 275 1HB GLN 34 HB2 GLN 34 13.575 -3.069 4.293 276 2HB GLN 34 HB1 GLN 34 13.527 -2.396 5.917 277 1HG GLN 34 HG2 GLN 34 14.465 -4.216 6.742 278 2HG GLN 34 HG1 GLN 34 13.182 -5.223 6.072 279 1HE2 GLN 34 HE21 GLN 34 13.605 -4.843 3.374 280 2HE2 GLN 34 HE22 GLN 34 15.122 -5.540 2.931 281 H TYR 35 HN TYR 35 9.396 -3.220 4.303 282 HA TYR 35 HA TYR 35 9.812 -1.122 2.442 283 1HB TYR 35 HB2 TYR 35 7.533 -1.369 1.872 284 2HB TYR 35 HB1 TYR 35 8.064 -2.982 2.334 285 HD1 TYR 35 HD1 TYR 35 5.594 -0.507 2.790 286 HD2 TYR 35 HD2 TYR 35 7.612 -3.644 4.836 287 HE1 TYR 35 HE1 TYR 35 3.750 -0.629 4.412 288 HE2 TYR 35 HE2 TYR 35 5.775 -3.774 6.462 289 HH TYR 35 HH TYR 35 2.858 -2.694 6.034 290 H GLN 36 HN GLN 36 8.350 0.848 2.422 291 HA GLN 36 HA GLN 36 8.593 2.191 5.012 292 1HB GLN 36 HB2 GLN 36 9.520 3.034 2.677 293 2HB GLN 36 HB1 GLN 36 7.879 3.632 2.492 294 1HG GLN 36 HG2 GLN 36 9.501 5.289 3.383 295 2HG GLN 36 HG1 GLN 36 8.085 5.030 4.399 296 1HE2 GLN 36 HE21 GLN 36 9.068 5.730 6.264 297 2HE2 GLN 36 HE22 GLN 36 10.320 4.843 7.058 298 H LEU 37 HN LEU 37 6.829 3.917 5.388 299 HA LEU 37 HA LEU 37 4.213 2.973 4.487 300 1HB LEU 37 HB2 LEU 37 4.898 2.058 6.767 301 2HB LEU 37 HB1 LEU 37 4.737 3.700 7.357 302 HG LEU 37 HG LEU 37 2.405 2.658 5.880 303 1HD1 LEU 37 HD11 LEU 37 2.815 1.699 8.687 304 2HD1 LEU 37 HD12 LEU 37 3.333 0.732 7.306 305 3HD1 LEU 37 HD13 LEU 37 1.634 1.167 7.491 306 1HD2 LEU 37 HD21 LEU 37 1.826 4.627 6.809 307 2HD2 LEU 37 HD22 LEU 37 3.037 4.503 8.085 308 3HD2 LEU 37 HD23 LEU 37 1.511 3.632 8.230 309 H VAL 38 HN VAL 38 3.978 4.751 3.200 310 HA VAL 38 HA VAL 38 4.381 7.408 4.234 311 HB VAL 38 HB VAL 38 3.226 8.079 2.043 312 1HG1 VAL 38 HG11 VAL 38 5.818 6.555 2.129 313 2HG1 VAL 38 HG12 VAL 38 5.573 8.299 2.220 314 3HG1 VAL 38 HG13 VAL 38 5.274 7.445 0.707 315 1HG2 VAL 38 HG21 VAL 38 2.464 6.541 0.614 316 2HG2 VAL 38 HG22 VAL 38 2.550 5.411 1.963 317 3HG2 VAL 38 HG23 VAL 38 3.887 5.520 0.820 318 H ASP 39 HN ASP 39 2.986 7.208 6.062 319 HA ASP 39 HA ASP 39 0.150 6.901 5.672 320 1HB ASP 39 HB2 ASP 39 1.609 6.363 7.783 321 2HB ASP 39 HB1 ASP 39 1.340 8.061 8.166 322 H ILE 40 HN ILE 40 -1.101 8.419 4.872 323 HA ILE 40 HA ILE 40 -0.282 11.157 4.687 324 HB ILE 40 HB ILE 40 -2.465 11.528 3.612 325 1HG1 ILE 40 HG12 ILE 40 -2.943 8.588 4.153 326 2HG1 ILE 40 HG11 ILE 40 -3.748 9.908 4.996 327 1HG2 ILE 40 HG21 ILE 40 -1.195 10.937 1.873 328 2HG2 ILE 40 HG22 ILE 40 -2.022 9.382 1.953 329 3HG2 ILE 40 HG23 ILE 40 -0.463 9.594 2.751 330 1HD1 ILE 40 HD11 ILE 40 -4.347 10.588 2.491 331 2HD1 ILE 40 HD12 ILE 40 -5.332 9.481 3.448 332 3HD1 ILE 40 HD13 ILE 40 -4.177 8.845 2.277 333 H SER 41 HN SER 41 -1.966 9.337 7.034 334 HA SER 41 HA SER 41 -3.765 11.221 8.052 335 1HB SER 41 HB2 SER 41 -3.707 9.915 10.120 336 2HB SER 41 HB1 SER 41 -3.742 8.841 8.721 337 HG SER 41 HG SER 41 -1.510 9.521 10.329 338 H GLN 42 HN GLN 42 -0.316 10.977 8.320 339 HA GLN 42 HA GLN 42 0.143 12.482 10.625 340 1HB GLN 42 HB2 GLN 42 1.864 11.190 9.375 341 2HB GLN 42 HB1 GLN 42 1.833 12.419 8.120 342 1HG GLN 42 HG2 GLN 42 2.249 13.819 10.492 343 2HG GLN 42 HG1 GLN 42 3.256 12.378 10.622 344 1HE2 GLN 42 HE21 GLN 42 2.558 15.214 8.688 345 2HE2 GLN 42 HE22 GLN 42 4.082 15.272 7.877 346 H ASP 43 HN ASP 43 0.518 13.673 7.287 347 HA ASP 43 HA ASP 43 -0.381 16.316 8.233 348 1HB ASP 43 HB2 ASP 43 1.958 15.511 6.710 349 2HB ASP 43 HB1 ASP 43 1.014 16.722 5.848 350 H ASN 44 HN ASN 44 -1.765 17.516 6.923 351 HA ASN 44 HA ASN 44 -3.627 16.017 5.405 352 1HB ASN 44 HB2 ASN 44 -3.271 18.865 6.158 353 2HB ASN 44 HB1 ASN 44 -4.258 18.547 4.734 354 1HD2 ASN 44 HD21 ASN 44 -4.258 18.831 8.039 355 2HD2 ASN 44 HD22 ASN 44 -5.774 18.074 8.378 356 H ALA 45 HN ALA 45 -0.723 17.699 4.582 357 HA ALA 45 HA ALA 45 -1.234 18.242 1.868 358 1HB ALA 45 HB1 ALA 45 0.642 19.345 2.491 359 2HB ALA 45 HB2 ALA 45 1.421 17.900 1.847 360 3HB ALA 45 HB3 ALA 45 1.164 18.064 3.584 361 H LEU 46 HN LEU 46 -0.037 15.377 3.519 362 HA LEU 46 HA LEU 46 0.739 13.928 1.231 363 1HB LEU 46 HB2 LEU 46 -0.048 13.150 4.019 364 2HB LEU 46 HB1 LEU 46 0.252 11.920 2.806 365 HG LEU 46 HG LEU 46 2.408 13.865 2.911 366 1HD1 LEU 46 HD11 LEU 46 2.433 12.176 5.330 367 2HD1 LEU 46 HD12 LEU 46 1.367 13.581 5.366 368 3HD1 LEU 46 HD13 LEU 46 3.091 13.790 5.060 369 1HD2 LEU 46 HD21 LEU 46 2.646 11.758 1.788 370 2HD2 LEU 46 HD22 LEU 46 2.223 10.877 3.256 371 3HD2 LEU 46 HD23 LEU 46 3.736 11.780 3.175 372 H ARG 47 HN ARG 47 -2.342 14.393 2.823 373 HA ARG 47 HA ARG 47 -3.766 12.322 1.536 374 1HB ARG 47 HB2 ARG 47 -4.773 14.950 2.642 375 2HB ARG 47 HB1 ARG 47 -5.785 13.581 2.203 376 1HG ARG 47 HG2 ARG 47 -4.329 12.271 3.893 377 2HG ARG 47 HG1 ARG 47 -3.892 13.871 4.496 378 1HD ARG 47 HD2 ARG 47 -6.531 14.191 4.399 379 2HD ARG 47 HD1 ARG 47 -6.490 12.440 4.595 380 HE ARG 47 HE ARG 47 -4.832 13.852 6.471 381 1HH1 ARG 47 HH11 ARG 47 -8.052 12.673 5.821 382 2HH1 ARG 47 HH12 ARG 47 -8.502 12.614 7.492 383 1HH2 ARG 47 HH21 ARG 47 -5.422 13.774 8.669 384 2HH2 ARG 47 HH22 ARG 47 -7.010 13.239 9.109 385 H ASP 48 HN ASP 48 -3.449 15.788 0.783 386 HA ASP 48 HA ASP 48 -4.872 15.448 -1.698 387 1HB ASP 48 HB2 ASP 48 -3.958 17.706 -0.078 388 2HB ASP 48 HB1 ASP 48 -3.797 17.973 -1.811 389 H GLU 49 HN GLU 49 -1.908 14.669 -0.810 390 HA GLU 49 HA GLU 49 -0.597 15.468 -3.305 391 1HB GLU 49 HB2 GLU 49 0.652 15.919 -1.249 392 2HB GLU 49 HB1 GLU 49 0.549 14.223 -0.797 393 1HG GLU 49 HG2 GLU 49 1.761 14.840 -3.422 394 2HG GLU 49 HG1 GLU 49 2.680 15.282 -1.985 395 H MET 50 HN MET 50 -1.773 12.722 -1.518 396 HA MET 50 HA MET 50 -0.586 10.778 -3.297 397 1HB MET 50 HB2 MET 50 -1.089 10.463 -0.796 398 2HB MET 50 HB1 MET 50 -2.762 10.238 -1.288 399 1HG MET 50 HG2 MET 50 -0.557 8.614 -2.494 400 2HG MET 50 HG1 MET 50 -1.294 8.169 -0.956 401 1HE MET 50 HE1 MET 50 -4.422 8.356 -1.100 402 2HE MET 50 HE2 MET 50 -3.318 7.076 -0.595 403 3HE MET 50 HE3 MET 50 -4.610 6.725 -1.743 404 H ARG 51 HN ARG 51 -3.830 12.044 -2.621 405 HA ARG 51 HA ARG 51 -5.255 10.457 -4.423 406 1HB ARG 51 HB2 ARG 51 -5.710 13.023 -3.027 407 2HB ARG 51 HB1 ARG 51 -6.683 12.759 -4.467 408 1HG ARG 51 HG2 ARG 51 -8.024 11.902 -2.807 409 2HG ARG 51 HG1 ARG 51 -7.198 10.457 -3.393 410 1HD ARG 51 HD2 ARG 51 -5.609 10.597 -1.560 411 2HD ARG 51 HD1 ARG 51 -6.366 12.086 -0.994 412 HE ARG 51 HE ARG 51 -7.269 9.411 -0.533 413 1HH1 ARG 51 HH11 ARG 51 -8.307 12.727 -0.857 414 2HH1 ARG 51 HH12 ARG 51 -9.741 12.501 0.087 415 1HH2 ARG 51 HH21 ARG 51 -9.155 9.112 0.708 416 2HH2 ARG 51 HH22 ARG 51 -10.223 10.449 0.975 417 H ALA 52 HN ALA 52 -3.268 13.273 -4.933 418 HA ALA 52 HA ALA 52 -4.217 13.768 -7.605 419 1HB ALA 52 HB1 ALA 52 -3.429 15.736 -6.813 420 2HB ALA 52 HB2 ALA 52 -1.923 15.150 -7.519 421 3HB ALA 52 HB3 ALA 52 -2.216 14.966 -5.790 422 H LEU 53 HN LEU 53 -1.039 12.765 -6.318 423 HA LEU 53 HA LEU 53 0.061 12.026 -8.779 424 1HB LEU 53 HB2 LEU 53 1.772 10.903 -7.526 425 2HB LEU 53 HB1 LEU 53 1.353 12.393 -6.702 426 HG LEU 53 HG LEU 53 -0.230 10.818 -5.308 427 1HD1 LEU 53 HD11 LEU 53 1.342 8.661 -5.041 428 2HD1 LEU 53 HD12 LEU 53 1.536 8.962 -6.768 429 3HD1 LEU 53 HD13 LEU 53 -0.073 8.708 -6.093 430 1HD2 LEU 53 HD21 LEU 53 2.714 10.628 -4.768 431 2HD2 LEU 53 HD22 LEU 53 1.384 10.780 -3.620 432 3HD2 LEU 53 HD23 LEU 53 1.845 12.156 -4.623 433 H ALA 54 HN ALA 54 -2.045 10.307 -6.597 434 HA ALA 54 HA ALA 54 -1.629 7.726 -7.765 435 1HB ALA 54 HB1 ALA 54 -3.375 6.966 -6.336 436 2HB ALA 54 HB2 ALA 54 -3.968 8.609 -6.089 437 3HB ALA 54 HB3 ALA 54 -2.409 8.124 -5.422 438 H GLY 55 HN GLY 55 -3.231 10.460 -8.866 439 1HA GLY 55 HA2 GLY 55 -4.670 10.821 -10.616 440 2HA GLY 55 HA1 GLY 55 -4.254 9.201 -11.154 441 H ASN 56 HN ASN 56 -5.907 10.293 -8.209 442 HA ASN 56 HA ASN 56 -8.521 9.746 -8.944 443 1HB ASN 56 HB2 ASN 56 -8.707 7.529 -7.558 444 2HB ASN 56 HB1 ASN 56 -8.233 7.461 -9.250 445 1HD2 ASN 56 HD21 ASN 56 -6.682 7.954 -6.093 446 2HD2 ASN 56 HD22 ASN 56 -5.362 6.880 -6.385 447 HA PRO 57 HA PRO 57 -8.479 11.617 -4.943 448 1HB PRO 57 HB2 PRO 57 -10.894 12.917 -5.597 449 2HB PRO 57 HB1 PRO 57 -9.271 13.584 -5.691 450 1HG PRO 57 HG2 PRO 57 -10.962 13.102 -7.843 451 2HG PRO 57 HG1 PRO 57 -9.211 13.353 -7.939 452 1HD PRO 57 HD2 PRO 57 -10.768 10.808 -7.950 453 2HD PRO 57 HD1 PRO 57 -9.295 11.244 -8.845 454 H LYS 58 HN LYS 58 -9.810 8.970 -5.645 455 HA LYS 58 HA LYS 58 -11.753 9.023 -3.450 456 1HB LYS 58 HB2 LYS 58 -12.121 7.721 -6.149 457 2HB LYS 58 HB1 LYS 58 -13.112 7.336 -4.748 458 1HG LYS 58 HG2 LYS 58 -14.434 9.051 -5.187 459 2HG LYS 58 HG1 LYS 58 -13.069 10.162 -5.062 460 1HD LYS 58 HD2 LYS 58 -14.148 10.383 -7.229 461 2HD LYS 58 HD1 LYS 58 -12.520 9.729 -7.418 462 1HE LYS 58 HE2 LYS 58 -13.396 7.502 -7.695 463 2HE LYS 58 HE1 LYS 58 -15.031 8.062 -7.344 464 1HZ LYS 58 HZ1 LYS 58 -15.208 9.096 -9.376 465 2HZ LYS 58 HZ2 LYS 58 -14.293 7.733 -9.782 466 3HZ LYS 58 HZ3 LYS 58 -13.535 9.233 -9.591 467 H ALA 59 HN ALA 59 -8.872 7.965 -4.299 468 HA ALA 59 HA ALA 59 -8.876 5.185 -4.046 469 1HB ALA 59 HB1 ALA 59 -6.705 5.485 -4.397 470 2HB ALA 59 HB2 ALA 59 -6.524 6.283 -2.835 471 3HB ALA 59 HB3 ALA 59 -6.953 7.226 -4.262 472 H THR 60 HN THR 60 -7.137 4.614 -1.932 473 HA THR 60 HA THR 60 -8.591 5.366 0.493 474 HB THR 60 HB THR 60 -8.404 2.867 1.156 475 HG1 THR 60 HG1 THR 60 -8.423 2.602 -1.664 476 1HG2 THR 60 HG21 THR 60 -10.467 2.434 -0.546 477 2HG2 THR 60 HG22 THR 60 -10.431 4.196 -0.476 478 3HG2 THR 60 HG23 THR 60 -10.595 3.257 1.008 479 HA PRO 61 HA PRO 61 -4.842 5.720 2.741 480 1HB PRO 61 HB2 PRO 61 -5.213 3.490 4.509 481 2HB PRO 61 HB1 PRO 61 -5.445 5.204 4.850 482 1HG PRO 61 HG2 PRO 61 -7.433 3.141 4.157 483 2HG PRO 61 HG1 PRO 61 -7.652 4.673 5.018 484 1HD PRO 61 HD2 PRO 61 -8.548 4.292 2.503 485 2HD PRO 61 HD1 PRO 61 -7.956 5.869 3.067 486 HA PRO 62 HA PRO 62 -2.808 1.362 2.273 487 1HB PRO 62 HB2 PRO 62 -4.329 -0.637 1.214 488 2HB PRO 62 HB1 PRO 62 -4.188 -0.336 2.950 489 1HG PRO 62 HG2 PRO 62 -6.355 0.486 1.056 490 2HG PRO 62 HG1 PRO 62 -6.493 -0.174 2.696 491 1HD PRO 62 HD2 PRO 62 -6.754 2.459 2.187 492 2HD PRO 62 HD1 PRO 62 -6.023 1.859 3.689 493 H GLN 63 HN GLN 63 -1.676 2.359 0.628 494 HA GLN 63 HA GLN 63 -2.340 1.458 -2.067 495 1HB GLN 63 HB2 GLN 63 -1.858 4.352 -1.341 496 2HB GLN 63 HB1 GLN 63 -1.843 3.733 -2.986 497 1HG GLN 63 HG2 GLN 63 -4.231 3.268 -1.266 498 2HG GLN 63 HG1 GLN 63 -3.983 4.847 -2.009 499 1HE2 GLN 63 HE21 GLN 63 -6.115 3.007 -2.520 500 2HE2 GLN 63 HE22 GLN 63 -6.025 2.575 -4.190 501 H ILE 64 HN ILE 64 -0.597 0.380 -2.693 502 HA ILE 64 HA ILE 64 2.003 0.946 -1.580 503 HB ILE 64 HB ILE 64 1.346 -1.008 -3.780 504 1HG1 ILE 64 HG12 ILE 64 1.577 -2.535 -1.548 505 2HG1 ILE 64 HG11 ILE 64 0.824 -1.095 -0.870 506 1HG2 ILE 64 HG21 ILE 64 3.598 -1.069 -3.784 507 2HG2 ILE 64 HG22 ILE 64 3.367 -2.099 -2.371 508 3HG2 ILE 64 HG23 ILE 64 3.726 -0.385 -2.164 509 1HD1 ILE 64 HD11 ILE 64 -0.605 -3.091 -1.801 510 2HD1 ILE 64 HD12 ILE 64 -0.346 -2.261 -3.335 511 3HD1 ILE 64 HD13 ILE 64 -1.127 -1.418 -1.997 512 H VAL 65 HN VAL 65 3.741 1.838 -2.574 513 HA VAL 65 HA VAL 65 3.463 2.692 -5.370 514 HB VAL 65 HB VAL 65 4.361 4.444 -3.080 515 1HG1 VAL 65 HG11 VAL 65 5.550 5.663 -4.500 516 2HG1 VAL 65 HG12 VAL 65 4.125 5.894 -5.513 517 3HG1 VAL 65 HG13 VAL 65 5.190 4.518 -5.789 518 1HG2 VAL 65 HG21 VAL 65 2.489 5.901 -3.970 519 2HG2 VAL 65 HG22 VAL 65 2.003 4.418 -3.147 520 3HG2 VAL 65 HG23 VAL 65 1.977 4.498 -4.909 521 H ASN 66 HN ASN 66 5.317 2.634 -6.557 522 HA ASN 66 HA ASN 66 7.658 1.452 -5.233 523 1HB ASN 66 HB2 ASN 66 6.322 0.505 -7.377 524 2HB ASN 66 HB1 ASN 66 7.511 1.515 -8.193 525 1HD2 ASN 66 HD21 ASN 66 7.542 -0.630 -5.364 526 2HD2 ASN 66 HD22 ASN 66 8.915 -1.550 -5.865 527 H GLY 67 HN GLY 67 8.465 3.465 -4.469 528 1HA GLY 67 HA2 GLY 67 10.162 5.045 -4.697 529 2HA GLY 67 HA1 GLY 67 10.114 4.811 -6.437 530 H ASP 68 HN ASP 68 8.508 5.918 -7.664 531 HA ASP 68 HA ASP 68 6.995 7.998 -6.294 532 1HB ASP 68 HB2 ASP 68 9.433 8.692 -7.198 533 2HB ASP 68 HB1 ASP 68 8.503 8.932 -8.674 534 H GLN 69 HN GLN 69 6.090 5.665 -7.560 535 HA GLN 69 HA GLN 69 4.490 6.861 -9.695 536 1HB GLN 69 HB2 GLN 69 6.499 4.812 -10.069 537 2HB GLN 69 HB1 GLN 69 4.911 4.220 -10.532 538 1HG GLN 69 HG2 GLN 69 4.855 6.597 -11.751 539 2HG GLN 69 HG1 GLN 69 6.594 6.308 -11.761 540 1HE2 GLN 69 HE21 GLN 69 3.748 4.224 -12.160 541 2HE2 GLN 69 HE22 GLN 69 4.245 3.543 -13.668 542 H TYR 70 HN TYR 70 2.555 5.570 -10.197 543 HA TYR 70 HA TYR 70 1.356 4.617 -7.760 544 1HB TYR 70 HB2 TYR 70 0.262 6.010 -9.670 545 2HB TYR 70 HB1 TYR 70 0.049 4.450 -10.456 546 HD1 TYR 70 HD1 TYR 70 -0.240 5.289 -6.840 547 HD2 TYR 70 HD2 TYR 70 -2.256 4.097 -10.392 548 HE1 TYR 70 HE1 TYR 70 -2.295 4.919 -5.542 549 HE2 TYR 70 HE2 TYR 70 -4.317 3.726 -9.104 550 HH TYR 70 HH TYR 70 -4.634 3.171 -6.257 551 H CYS 71 HN CYS 71 2.075 2.661 -7.129 552 HA CYS 71 HA CYS 71 2.558 0.536 -9.009 553 1HB CYS 71 HB2 CYS 71 3.690 1.035 -6.678 554 2HB CYS 71 HB1 CYS 71 2.363 0.055 -6.064 555 HG CYS 71 HG CYS 71 4.802 -1.123 -6.999 556 H GLY 72 HN GLY 72 0.234 1.033 -6.339 557 1HA GLY 72 HA2 GLY 72 -2.023 0.154 -7.632 558 2HA GLY 72 HA1 GLY 72 -1.271 -1.308 -7.015 559 H ASP 73 HN ASP 73 -2.781 -1.836 -5.508 560 HA ASP 73 HA ASP 73 -2.698 -0.382 -3.034 561 1HB ASP 73 HB2 ASP 73 -5.078 0.087 -2.862 562 2HB ASP 73 HB1 ASP 73 -4.425 0.876 -4.292 563 H TYR 74 HN TYR 74 -4.937 -1.493 -1.804 564 HA TYR 74 HA TYR 74 -4.037 -3.979 -1.001 565 1HB TYR 74 HB2 TYR 74 -5.578 -2.787 0.381 566 2HB TYR 74 HB1 TYR 74 -6.795 -2.755 -0.890 567 HD1 TYR 74 HD1 TYR 74 -7.902 -4.927 -1.558 568 HD2 TYR 74 HD2 TYR 74 -5.474 -4.572 1.918 569 HE1 TYR 74 HE1 TYR 74 -8.904 -6.983 -0.656 570 HE2 TYR 74 HE2 TYR 74 -6.470 -6.628 2.829 571 HH TYR 74 HH TYR 74 -8.692 -7.897 2.508 572 H GLU 75 HN GLU 75 -6.751 -3.311 -3.226 573 HA GLU 75 HA GLU 75 -7.477 -5.881 -3.836 574 1HB GLU 75 HB2 GLU 75 -8.218 -3.405 -4.663 575 2HB GLU 75 HB1 GLU 75 -7.452 -4.023 -6.117 576 1HG GLU 75 HG2 GLU 75 -9.173 -6.011 -4.984 577 2HG GLU 75 HG1 GLU 75 -10.049 -4.498 -5.203 578 H LEU 76 HN LEU 76 -5.237 -3.890 -5.783 579 HA LEU 76 HA LEU 76 -4.465 -5.868 -7.571 580 1HB LEU 76 HB2 LEU 76 -2.839 -3.557 -6.510 581 2HB LEU 76 HB1 LEU 76 -2.420 -4.510 -7.921 582 HG LEU 76 HG LEU 76 -4.915 -3.726 -8.610 583 1HD1 LEU 76 HD11 LEU 76 -4.474 -2.224 -6.348 584 2HD1 LEU 76 HD12 LEU 76 -5.635 -1.860 -7.624 585 3HD1 LEU 76 HD13 LEU 76 -4.033 -1.123 -7.653 586 1HD2 LEU 76 HD21 LEU 76 -2.424 -3.387 -9.574 587 2HD2 LEU 76 HD22 LEU 76 -2.827 -1.720 -9.161 588 3HD2 LEU 76 HD23 LEU 76 -3.855 -2.627 -10.270 589 H PHE 77 HN PHE 77 -2.553 -4.758 -4.772 590 HA PHE 77 HA PHE 77 -0.574 -6.646 -4.788 591 1HB PHE 77 HB2 PHE 77 -0.474 -4.812 -3.250 592 2HB PHE 77 HB1 PHE 77 -1.953 -5.325 -2.446 593 HD1 PHE 77 HD1 PHE 77 1.617 -5.569 -2.535 594 HD2 PHE 77 HD2 PHE 77 -1.914 -7.492 -1.140 595 HE1 PHE 77 HE1 PHE 77 2.955 -6.838 -0.907 596 HE2 PHE 77 HE2 PHE 77 -0.582 -8.764 0.491 597 HZ PHE 77 HZ PHE 77 1.857 -8.438 0.609 598 H VAL 78 HN VAL 78 -3.641 -6.903 -2.977 599 HA VAL 78 HA VAL 78 -3.223 -9.550 -2.098 600 HB VAL 78 HB VAL 78 -5.877 -8.166 -2.527 601 1HG1 VAL 78 HG11 VAL 78 -5.392 -10.792 -1.876 602 2HG1 VAL 78 HG12 VAL 78 -6.872 -9.900 -1.523 603 3HG1 VAL 78 HG13 VAL 78 -5.608 -10.031 -0.300 604 1HG2 VAL 78 HG21 VAL 78 -3.954 -7.130 -1.011 605 2HG2 VAL 78 HG22 VAL 78 -4.592 -8.300 0.144 606 3HG2 VAL 78 HG23 VAL 78 -5.653 -7.070 -0.544 607 H GLU 79 HN GLU 79 -4.521 -8.208 -5.049 608 HA GLU 79 HA GLU 79 -5.646 -10.681 -5.979 609 1HB GLU 79 HB2 GLU 79 -6.578 -8.549 -6.714 610 2HB GLU 79 HB1 GLU 79 -5.042 -8.112 -7.450 611 1HG GLU 79 HG2 GLU 79 -5.507 -9.228 -9.310 612 2HG GLU 79 HG1 GLU 79 -6.010 -10.662 -8.416 613 H ALA 80 HN ALA 80 -2.515 -9.688 -5.613 614 HA ALA 80 HA ALA 80 -1.536 -10.992 -8.040 615 1HB ALA 80 HB1 ALA 80 -0.630 -8.772 -7.275 616 2HB ALA 80 HB2 ALA 80 0.578 -10.021 -7.570 617 3HB ALA 80 HB3 ALA 80 0.104 -9.625 -5.918 618 H VAL 81 HN VAL 81 -0.990 -11.144 -4.511 619 HA VAL 81 HA VAL 81 0.630 -13.394 -4.437 620 HB VAL 81 HB VAL 81 -1.499 -12.767 -2.389 621 1HG1 VAL 81 HG11 VAL 81 1.205 -14.059 -2.058 622 2HG1 VAL 81 HG12 VAL 81 -0.317 -14.940 -2.184 623 3HG1 VAL 81 HG13 VAL 81 -0.036 -13.855 -0.822 624 1HG2 VAL 81 HG21 VAL 81 -0.416 -10.930 -1.751 625 2HG2 VAL 81 HG22 VAL 81 0.499 -11.041 -3.253 626 3HG2 VAL 81 HG23 VAL 81 1.142 -11.756 -1.776 627 H GLU 82 HN GLU 82 -2.812 -13.130 -4.851 628 HA GLU 82 HA GLU 82 -3.673 -15.694 -4.253 629 1HB GLU 82 HB2 GLU 82 -5.478 -15.222 -5.958 630 2HB GLU 82 HB1 GLU 82 -5.285 -14.009 -4.698 631 1HG GLU 82 HG2 GLU 82 -5.265 -12.538 -6.366 632 2HG GLU 82 HG1 GLU 82 -3.607 -13.077 -6.642 633 H GLN 83 HN GLN 83 -2.490 -14.440 -7.366 634 HA GLN 83 HA GLN 83 -2.423 -17.174 -8.419 635 1HB GLN 83 HB2 GLN 83 -3.293 -14.855 -9.570 636 2HB GLN 83 HB1 GLN 83 -1.653 -14.953 -10.194 637 1HG GLN 83 HG2 GLN 83 -2.066 -17.023 -11.240 638 2HG GLN 83 HG1 GLN 83 -3.579 -17.249 -10.363 639 1HE2 GLN 83 HE21 GLN 83 -4.991 -17.368 -12.007 640 2HE2 GLN 83 HE22 GLN 83 -5.263 -16.112 -13.161 641 H ASN 84 HN ASN 84 -0.455 -15.424 -6.633 642 HA ASN 84 HA ASN 84 1.749 -15.609 -6.148 643 1HB ASN 84 HB2 ASN 84 1.331 -17.874 -7.687 644 2HB ASN 84 HB1 ASN 84 2.651 -17.060 -8.522 645 1HD2 ASN 84 HD21 ASN 84 1.626 -18.578 -5.567 646 2HD2 ASN 84 HD22 ASN 84 3.201 -18.771 -4.884 647 H THR 85 HN THR 85 0.421 -13.712 -8.065 648 HA THR 85 HA THR 85 2.558 -12.933 -9.839 649 HB THR 85 HB THR 85 0.674 -10.878 -9.816 650 HG1 THR 85 HG1 THR 85 -1.295 -11.893 -9.820 651 1HG2 THR 85 HG21 THR 85 -0.269 -12.292 -11.832 652 2HG2 THR 85 HG22 THR 85 1.230 -13.188 -11.584 653 3HG2 THR 85 HG23 THR 85 1.281 -11.457 -11.921 654 H LEU 86 HN LEU 86 1.571 -12.287 -6.637 655 HA LEU 86 HA LEU 86 2.033 -9.792 -5.923 656 1HB LEU 86 HB2 LEU 86 1.863 -11.838 -4.440 657 2HB LEU 86 HB1 LEU 86 3.602 -11.989 -4.599 658 HG LEU 86 HG LEU 86 2.752 -10.855 -2.505 659 1HD1 LEU 86 HD11 LEU 86 4.507 -8.908 -3.865 660 2HD1 LEU 86 HD12 LEU 86 5.058 -10.583 -3.824 661 3HD1 LEU 86 HD13 LEU 86 4.705 -9.734 -2.319 662 1HD2 LEU 86 HD21 LEU 86 1.190 -9.408 -4.164 663 2HD2 LEU 86 HD22 LEU 86 2.546 -8.301 -3.951 664 3HD2 LEU 86 HD23 LEU 86 1.657 -8.888 -2.545 665 H GLN 87 HN GLN 87 4.731 -11.962 -6.787 666 HA GLN 87 HA GLN 87 6.805 -10.148 -6.320 667 1HB GLN 87 HB2 GLN 87 7.388 -12.424 -6.696 668 2HB GLN 87 HB1 GLN 87 6.571 -12.451 -8.253 669 1HG GLN 87 HG2 GLN 87 8.239 -11.092 -9.253 670 2HG GLN 87 HG1 GLN 87 8.962 -10.721 -7.691 671 1HE2 GLN 87 HE21 GLN 87 10.766 -11.767 -7.300 672 2HE2 GLN 87 HE22 GLN 87 11.192 -13.335 -7.888 673 H GLU 88 HN GLU 88 5.175 -10.903 -9.397 674 HA GLU 88 HA GLU 88 6.410 -9.146 -11.081 675 1HB GLU 88 HB2 GLU 88 3.634 -10.222 -10.936 676 2HB GLU 88 HB1 GLU 88 3.963 -8.931 -12.084 677 1HG GLU 88 HG2 GLU 88 5.695 -11.365 -11.998 678 2HG GLU 88 HG1 GLU 88 4.151 -11.385 -12.850 679 H PHE 89 HN PHE 89 4.319 -8.373 -8.446 680 HA PHE 89 HA PHE 89 4.020 -5.612 -9.360 681 1HB PHE 89 HB2 PHE 89 1.971 -6.656 -8.621 682 2HB PHE 89 HB1 PHE 89 2.718 -7.156 -7.109 683 HD1 PHE 89 HD1 PHE 89 0.801 -4.670 -8.747 684 HD2 PHE 89 HD2 PHE 89 3.526 -5.284 -5.538 685 HE1 PHE 89 HE1 PHE 89 0.010 -2.600 -7.685 686 HE2 PHE 89 HE2 PHE 89 2.741 -3.212 -4.469 687 HZ PHE 89 HZ PHE 89 0.979 -1.866 -5.543 688 H LEU 90 HN LEU 90 5.681 -7.563 -7.013 689 HA LEU 90 HA LEU 90 6.574 -5.180 -5.562 690 1HB LEU 90 HB2 LEU 90 5.908 -7.786 -4.770 691 2HB LEU 90 HB1 LEU 90 7.640 -7.651 -4.539 692 HG LEU 90 HG LEU 90 6.127 -5.357 -3.510 693 1HD1 LEU 90 HD11 LEU 90 5.290 -6.526 -1.537 694 2HD1 LEU 90 HD12 LEU 90 5.778 -8.068 -2.239 695 3HD1 LEU 90 HD13 LEU 90 4.512 -7.110 -3.008 696 1HD2 LEU 90 HD21 LEU 90 8.619 -6.155 -3.221 697 2HD2 LEU 90 HD22 LEU 90 7.927 -7.089 -1.895 698 3HD2 LEU 90 HD23 LEU 90 7.765 -5.333 -1.915 699 H LYS 91 HN LYS 91 8.116 -8.201 -6.697 700 HA LYS 91 HA LYS 91 10.635 -6.753 -6.971 701 1HB LYS 91 HB2 LYS 91 10.527 -9.627 -7.662 702 2HB LYS 91 HB1 LYS 91 11.715 -8.737 -6.724 703 1HG LYS 91 HG2 LYS 91 9.790 -8.620 -4.955 704 2HG LYS 91 HG1 LYS 91 9.179 -10.019 -5.841 705 1HD LYS 91 HD2 LYS 91 11.451 -11.058 -5.559 706 2HD LYS 91 HD1 LYS 91 11.847 -9.726 -4.471 707 1HE LYS 91 HE2 LYS 91 11.105 -11.738 -3.262 708 2HE LYS 91 HE1 LYS 91 10.043 -10.358 -2.988 709 1HZ LYS 91 HZ1 LYS 91 9.365 -12.198 -5.159 710 2HZ LYS 91 HZ2 LYS 91 8.348 -11.315 -4.136 711 3HZ LYS 91 HZ3 LYS 91 9.099 -12.721 -3.572 712 H LEU 92 HN LEU 92 8.030 -7.680 -8.911 713 HA LEU 92 HA LEU 92 7.639 -7.605 -11.138 714 1HB LEU 92 HB2 LEU 92 10.286 -6.211 -11.430 715 2HB LEU 92 HB1 LEU 92 8.885 -6.086 -12.473 716 HG LEU 92 HG LEU 92 8.787 -4.089 -11.330 717 1HD1 LEU 92 HD11 LEU 92 7.056 -4.292 -9.530 718 2HD1 LEU 92 HD12 LEU 92 7.182 -6.044 -9.694 719 3HD1 LEU 92 HD13 LEU 92 6.640 -5.065 -11.059 720 1HD2 LEU 92 HD21 LEU 92 9.711 -3.619 -9.307 721 2HD2 LEU 92 HD22 LEU 92 10.646 -5.059 -9.711 722 3HD2 LEU 92 HD23 LEU 92 9.268 -5.181 -8.619 723 H ALA 93 HN ALA 93 11.179 -7.855 -11.219 724 HA ALA 93 HA ALA 93 11.121 -10.624 -11.962 725 1HB ALA 93 HB1 ALA 93 11.868 -8.601 -14.072 726 2HB ALA 93 HB2 ALA 93 10.438 -9.634 -14.083 727 3HB ALA 93 HB3 ALA 93 12.044 -10.351 -14.211 728 H LEU 94 HN LEU 94 12.405 -8.926 -9.987 729 HA LEU 94 HA LEU 94 15.087 -8.388 -10.586 730 1HB LEU 94 HB2 LEU 94 13.525 -7.936 -8.451 731 2HB LEU 94 HB1 LEU 94 14.422 -9.317 -7.850 732 HG LEU 94 HG LEU 94 16.536 -8.109 -8.279 733 1HD1 LEU 94 HD11 LEU 94 16.304 -6.547 -9.901 734 2HD1 LEU 94 HD12 LEU 94 16.009 -5.502 -8.512 735 3HD1 LEU 94 HD13 LEU 94 14.651 -6.146 -9.435 736 1HD2 LEU 94 HD21 LEU 94 16.034 -7.846 -6.082 737 2HD2 LEU 94 HD22 LEU 94 14.447 -7.150 -6.412 738 3HD2 LEU 94 HD23 LEU 94 15.896 -6.160 -6.580 739 H GLU 95 HN GLU 95 13.463 -11.346 -9.668 740 HA GLU 95 HA GLU 95 15.918 -12.796 -9.222 741 1HB GLU 95 HB2 GLU 95 13.008 -13.425 -9.120 742 2HB GLU 95 HB1 GLU 95 14.125 -14.761 -9.361 743 1HG GLU 95 HG2 GLU 95 15.248 -14.279 -7.307 744 2HG GLU 95 HG1 GLU 95 14.326 -12.792 -7.098 Start of MODEL 11 1 1H MET 1 HT1 MET 1 19.153 3.269 -5.979 2 2H MET 1 HT2 MET 1 20.037 4.072 -4.747 3 3H MET 1 HT3 MET 1 18.426 4.547 -5.099 4 HA MET 1 HA MET 1 19.121 1.846 -4.194 5 1HB MET 1 HB2 MET 1 19.777 3.916 -2.694 6 2HB MET 1 HB1 MET 1 18.051 3.955 -2.361 7 1HG MET 1 HG2 MET 1 18.588 1.333 -1.966 8 2HG MET 1 HG1 MET 1 20.111 2.068 -1.468 9 1HE MET 1 HE1 MET 1 19.838 4.149 1.076 10 2HE MET 1 HE2 MET 1 18.364 4.983 0.582 11 3HE MET 1 HE3 MET 1 19.602 4.598 -0.614 12 H SER 2 HN SER 2 17.329 0.603 -3.766 13 HA SER 2 HA SER 2 14.869 1.464 -5.000 14 1HB SER 2 HB2 SER 2 14.094 -0.850 -4.424 15 2HB SER 2 HB1 SER 2 15.574 -0.814 -5.382 16 HG SER 2 HG SER 2 15.586 -0.981 -2.557 17 H GLY 3 HN GLY 3 12.840 1.619 -3.995 18 1HA GLY 3 HA2 GLY 3 12.809 1.610 -1.060 19 2HA GLY 3 HA1 GLY 3 12.356 3.088 -1.895 20 H LEU 4 HN LEU 4 10.536 2.072 -0.234 21 HA LEU 4 HA LEU 4 8.358 1.450 -2.002 22 1HB LEU 4 HB2 LEU 4 9.567 -0.761 -1.351 23 2HB LEU 4 HB1 LEU 4 8.798 -0.528 0.207 24 HG LEU 4 HG LEU 4 7.479 -2.039 -1.146 25 1HD1 LEU 4 HD11 LEU 4 6.471 -0.091 0.306 26 2HD1 LEU 4 HD12 LEU 4 5.435 -1.138 -0.665 27 3HD1 LEU 4 HD13 LEU 4 5.876 0.463 -1.259 28 1HD2 LEU 4 HD21 LEU 4 7.276 0.216 -3.138 29 2HD2 LEU 4 HD22 LEU 4 6.476 -1.352 -3.245 30 3HD2 LEU 4 HD23 LEU 4 8.234 -1.250 -3.346 31 H ARG 5 HN ARG 5 7.284 3.229 -1.266 32 HA ARG 5 HA ARG 5 6.848 3.494 1.618 33 1HB ARG 5 HB2 ARG 5 6.090 5.747 1.148 34 2HB ARG 5 HB1 ARG 5 7.647 5.476 0.380 35 1HG ARG 5 HG2 ARG 5 6.286 4.924 -1.724 36 2HG ARG 5 HG1 ARG 5 4.944 5.699 -0.880 37 1HD ARG 5 HD2 ARG 5 5.947 7.380 -2.205 38 2HD ARG 5 HD1 ARG 5 6.461 7.687 -0.546 39 HE ARG 5 HE ARG 5 8.409 6.096 -1.712 40 1HH1 ARG 5 HH11 ARG 5 7.054 9.277 -2.186 41 2HH1 ARG 5 HH12 ARG 5 8.517 9.941 -2.832 42 1HH2 ARG 5 HH21 ARG 5 10.335 6.967 -2.562 43 2HH2 ARG 5 HH22 ARG 5 10.380 8.630 -3.046 44 H VAL 6 HN VAL 6 5.150 2.399 2.349 45 HA VAL 6 HA VAL 6 2.795 2.046 0.662 46 HB VAL 6 HB VAL 6 3.288 0.927 3.423 47 1HG1 VAL 6 HG11 VAL 6 1.548 -0.428 1.459 48 2HG1 VAL 6 HG12 VAL 6 0.940 1.082 2.138 49 3HG1 VAL 6 HG13 VAL 6 1.371 -0.254 3.206 50 1HG2 VAL 6 HG21 VAL 6 3.791 -0.373 0.747 51 2HG2 VAL 6 HG22 VAL 6 3.973 -1.136 2.327 52 3HG2 VAL 6 HG23 VAL 6 5.033 0.195 1.863 53 H TYR 7 HN TYR 7 1.028 3.257 0.861 54 HA TYR 7 HA TYR 7 0.906 5.269 2.931 55 1HB TYR 7 HB2 TYR 7 -0.607 4.697 0.421 56 2HB TYR 7 HB1 TYR 7 -1.368 5.704 1.648 57 HD1 TYR 7 HD1 TYR 7 -0.449 7.898 2.202 58 HD2 TYR 7 HD2 TYR 7 1.309 5.484 -0.828 59 HE1 TYR 7 HE1 TYR 7 0.792 9.853 1.374 60 HE2 TYR 7 HE2 TYR 7 2.557 7.431 -1.663 61 HH TYR 7 HH TYR 7 1.828 10.536 -0.928 62 H SER 8 HN SER 8 -0.626 5.478 4.517 63 HA SER 8 HA SER 8 -2.747 3.537 4.796 64 1HB SER 8 HB2 SER 8 -0.253 3.402 6.419 65 2HB SER 8 HB1 SER 8 -1.781 3.127 7.254 66 HG SER 8 HG SER 8 -0.794 1.725 4.992 67 H THR 9 HN THR 9 -3.824 3.901 7.065 68 HA THR 9 HA THR 9 -3.803 6.788 7.650 69 HB THR 9 HB THR 9 -5.778 6.307 6.333 70 HG1 THR 9 HG1 THR 9 -6.516 6.514 9.061 71 1HG2 THR 9 HG21 THR 9 -7.438 4.731 6.890 72 2HG2 THR 9 HG22 THR 9 -6.662 4.349 8.427 73 3HG2 THR 9 HG23 THR 9 -5.901 3.866 6.912 74 H SER 10 HN SER 10 -3.038 7.037 9.639 75 HA SER 10 HA SER 10 -2.832 5.075 11.596 76 1HB SER 10 HB2 SER 10 -1.835 7.550 11.365 77 2HB SER 10 HB1 SER 10 -3.137 7.892 12.505 78 HG SER 10 HG SER 10 -0.955 7.198 13.329 79 H VAL 11 HN VAL 11 -5.425 7.359 10.950 80 HA VAL 11 HA VAL 11 -6.995 6.104 13.107 81 HB VAL 11 HB VAL 11 -7.470 8.843 11.931 82 1HG1 VAL 11 HG11 VAL 11 -8.811 7.163 13.952 83 2HG1 VAL 11 HG12 VAL 11 -9.469 8.407 12.888 84 3HG1 VAL 11 HG13 VAL 11 -8.618 8.867 14.363 85 1HG2 VAL 11 HG21 VAL 11 -5.576 9.367 13.044 86 2HG2 VAL 11 HG22 VAL 11 -5.657 7.938 14.074 87 3HG2 VAL 11 HG23 VAL 11 -6.649 9.348 14.443 88 H THR 12 HN THR 12 -8.250 4.598 12.196 89 HA THR 12 HA THR 12 -9.362 4.997 9.543 90 HB THR 12 HB THR 12 -10.309 2.685 9.938 91 HG1 THR 12 HG1 THR 12 -10.266 2.774 12.229 92 1HG2 THR 12 HG21 THR 12 -8.285 2.783 8.712 93 2HG2 THR 12 HG22 THR 12 -8.104 1.515 9.925 94 3HG2 THR 12 HG23 THR 12 -7.343 3.086 10.171 95 H GLY 13 HN GLY 13 -11.182 6.110 9.306 96 1HA GLY 13 HA2 GLY 13 -12.983 6.566 11.497 97 2HA GLY 13 HA1 GLY 13 -13.180 7.138 9.847 98 H SER 14 HN SER 14 -12.941 4.463 8.690 99 HA SER 14 HA SER 14 -15.681 3.606 9.202 100 1HB SER 14 HB2 SER 14 -14.253 3.903 6.871 101 2HB SER 14 HB1 SER 14 -14.177 2.161 7.136 102 HG SER 14 HG SER 14 -16.117 2.150 6.345 103 H ARG 15 HN ARG 15 -15.643 0.983 8.494 104 HA ARG 15 HA ARG 15 -14.057 -0.242 10.629 105 1HB ARG 15 HB2 ARG 15 -16.577 -0.245 10.857 106 2HB ARG 15 HB1 ARG 15 -16.602 -1.324 9.469 107 1HG ARG 15 HG2 ARG 15 -14.937 -2.728 10.939 108 2HG ARG 15 HG1 ARG 15 -15.701 -1.836 12.256 109 1HD ARG 15 HD2 ARG 15 -17.688 -2.817 10.421 110 2HD ARG 15 HD1 ARG 15 -16.652 -4.135 10.965 111 HE ARG 15 HE ARG 15 -17.410 -2.603 13.188 112 1HH1 ARG 15 HH11 ARG 15 -18.809 -4.781 10.847 113 2HH1 ARG 15 HH12 ARG 15 -20.049 -5.337 11.920 114 1HH2 ARG 15 HH21 ARG 15 -19.040 -3.335 14.601 115 2HH2 ARG 15 HH22 ARG 15 -20.181 -4.517 14.051 116 H GLU 16 HN GLU 16 -14.495 -0.094 7.389 117 HA GLU 16 HA GLU 16 -13.372 -2.743 6.856 118 1HB GLU 16 HB2 GLU 16 -14.299 -0.757 4.786 119 2HB GLU 16 HB1 GLU 16 -14.069 -2.490 4.599 120 1HG GLU 16 HG2 GLU 16 -16.163 -2.892 5.184 121 2HG GLU 16 HG1 GLU 16 -15.977 -1.971 6.676 122 H ILE 17 HN ILE 17 -12.742 0.688 6.501 123 HA ILE 17 HA ILE 17 -10.548 0.738 4.851 124 HB ILE 17 HB ILE 17 -10.953 2.369 7.362 125 1HG1 ILE 17 HG12 ILE 17 -12.814 2.499 5.727 126 2HG1 ILE 17 HG11 ILE 17 -11.963 4.030 5.905 127 1HG2 ILE 17 HG21 ILE 17 -8.651 2.505 6.617 128 2HG2 ILE 17 HG22 ILE 17 -9.484 4.022 6.277 129 3HG2 ILE 17 HG23 ILE 17 -9.179 2.873 4.975 130 1HD1 ILE 17 HD11 ILE 17 -10.725 2.596 3.805 131 2HD1 ILE 17 HD12 ILE 17 -11.650 4.095 3.723 132 3HD1 ILE 17 HD13 ILE 17 -12.469 2.543 3.551 133 H LYS 18 HN LYS 18 -10.582 0.180 8.345 134 HA LYS 18 HA LYS 18 -7.849 -0.093 8.770 135 1HB LYS 18 HB2 LYS 18 -8.558 -1.604 10.698 136 2HB LYS 18 HB1 LYS 18 -9.204 0.030 10.693 137 1HG LYS 18 HG2 LYS 18 -11.259 -0.997 9.555 138 2HG LYS 18 HG1 LYS 18 -10.600 -2.547 10.077 139 1HD LYS 18 HD2 LYS 18 -10.900 -0.314 12.042 140 2HD LYS 18 HD1 LYS 18 -12.303 -1.287 11.591 141 1HE LYS 18 HE2 LYS 18 -9.863 -2.792 12.274 142 2HE LYS 18 HE1 LYS 18 -10.611 -1.908 13.603 143 1HZ LYS 18 HZ1 LYS 18 -11.692 -4.130 12.011 144 2HZ LYS 18 HZ2 LYS 18 -12.760 -3.025 12.717 145 3HZ LYS 18 HZ3 LYS 18 -11.697 -3.911 13.689 146 H SER 19 HN SER 19 -10.236 -2.647 8.148 147 HA SER 19 HA SER 19 -8.630 -4.862 8.153 148 1HB SER 19 HB2 SER 19 -11.048 -5.004 7.874 149 2HB SER 19 HB1 SER 19 -10.927 -4.281 6.270 150 HG SER 19 HG SER 19 -10.133 -6.837 7.136 151 H GLN 20 HN GLN 20 -8.897 -2.429 5.637 152 HA GLN 20 HA GLN 20 -7.513 -3.877 3.627 153 1HB GLN 20 HB2 GLN 20 -7.650 -0.873 3.885 154 2HB GLN 20 HB1 GLN 20 -7.409 -1.813 2.419 155 1HG GLN 20 HG2 GLN 20 -9.915 -1.579 4.059 156 2HG GLN 20 HG1 GLN 20 -9.641 -1.009 2.414 157 1HE2 GLN 20 HE21 GLN 20 -11.745 -2.712 3.260 158 2HE2 GLN 20 HE22 GLN 20 -11.558 -4.222 2.443 159 H GLN 21 HN GLN 21 -6.380 -1.004 5.417 160 HA GLN 21 HA GLN 21 -3.678 -1.346 4.759 161 1HB GLN 21 HB2 GLN 21 -3.280 0.178 6.752 162 2HB GLN 21 HB1 GLN 21 -4.346 0.797 5.498 163 1HG GLN 21 HG2 GLN 21 -5.872 1.187 7.045 164 2HG GLN 21 HG1 GLN 21 -5.995 -0.550 7.321 165 1HE2 GLN 21 HE21 GLN 21 -5.885 2.100 8.977 166 2HE2 GLN 21 HE22 GLN 21 -4.874 1.661 10.308 167 H SER 22 HN SER 22 -5.626 -2.711 7.307 168 HA SER 22 HA SER 22 -3.513 -3.578 8.981 169 1HB SER 22 HB2 SER 22 -5.827 -3.409 9.783 170 2HB SER 22 HB1 SER 22 -6.311 -4.696 8.678 171 HG SER 22 HG SER 22 -5.008 -6.122 9.828 172 H GLU 23 HN GLU 23 -5.065 -4.942 6.157 173 HA GLU 23 HA GLU 23 -3.942 -7.554 6.447 174 1HB GLU 23 HB2 GLU 23 -5.978 -6.587 4.980 175 2HB GLU 23 HB1 GLU 23 -4.718 -6.586 3.753 176 1HG GLU 23 HG2 GLU 23 -5.345 -8.694 3.397 177 2HG GLU 23 HG1 GLU 23 -4.409 -9.056 4.846 178 H VAL 24 HN VAL 24 -3.184 -4.772 4.361 179 HA VAL 24 HA VAL 24 -1.004 -5.892 3.026 180 HB VAL 24 HB VAL 24 -1.266 -2.977 3.760 181 1HG1 VAL 24 HG11 VAL 24 -0.250 -3.789 1.128 182 2HG1 VAL 24 HG12 VAL 24 0.774 -4.238 2.492 183 3HG1 VAL 24 HG13 VAL 24 0.333 -2.550 2.239 184 1HG2 VAL 24 HG21 VAL 24 -2.313 -3.073 1.302 185 2HG2 VAL 24 HG22 VAL 24 -3.291 -3.200 2.764 186 3HG2 VAL 24 HG23 VAL 24 -2.823 -4.657 1.887 187 H THR 25 HN THR 25 -0.997 -3.768 5.892 188 HA THR 25 HA THR 25 1.766 -3.846 6.341 189 HB THR 25 HB THR 25 -0.271 -3.595 8.544 190 HG1 THR 25 HG1 THR 25 -1.105 -2.100 7.309 191 1HG2 THR 25 HG21 THR 25 2.226 -1.990 8.120 192 2HG2 THR 25 HG22 THR 25 2.202 -3.494 9.041 193 3HG2 THR 25 HG23 THR 25 1.234 -2.119 9.572 194 H ARG 26 HN ARG 26 -0.776 -6.080 7.188 195 HA ARG 26 HA ARG 26 0.716 -7.556 9.116 196 1HB ARG 26 HB2 ARG 26 -1.859 -7.907 7.669 197 2HB ARG 26 HB1 ARG 26 -1.116 -9.346 8.355 198 1HG ARG 26 HG2 ARG 26 -1.124 -8.346 10.555 199 2HG ARG 26 HG1 ARG 26 -1.765 -6.840 9.894 200 1HD ARG 26 HD2 ARG 26 -3.839 -7.824 9.384 201 2HD ARG 26 HD1 ARG 26 -3.203 -9.457 9.578 202 HE ARG 26 HE ARG 26 -2.927 -8.191 12.027 203 1HH1 ARG 26 HH11 ARG 26 -5.522 -9.137 9.895 204 2HH1 ARG 26 HH12 ARG 26 -6.664 -9.355 11.178 205 1HH2 ARG 26 HH21 ARG 26 -4.427 -8.477 13.716 206 2HH2 ARG 26 HH22 ARG 26 -6.043 -8.979 13.348 207 H ILE 27 HN ILE 27 -0.088 -8.138 5.698 208 HA ILE 27 HA ILE 27 1.309 -10.557 5.437 209 HB ILE 27 HB ILE 27 0.853 -8.521 3.255 210 1HG1 ILE 27 HG12 ILE 27 -1.003 -10.797 3.529 211 2HG1 ILE 27 HG11 ILE 27 -1.117 -9.593 4.809 212 1HG2 ILE 27 HG21 ILE 27 1.068 -11.517 3.050 213 2HG2 ILE 27 HG22 ILE 27 2.424 -10.419 2.798 214 3HG2 ILE 27 HG23 ILE 27 1.021 -10.345 1.733 215 1HD1 ILE 27 HD11 ILE 27 -1.045 -8.064 2.532 216 2HD1 ILE 27 HD12 ILE 27 -2.490 -8.511 3.440 217 3HD1 ILE 27 HD13 ILE 27 -1.993 -9.470 2.046 218 H LEU 28 HN LEU 28 2.311 -7.224 4.704 219 HA LEU 28 HA LEU 28 4.867 -7.804 3.739 220 1HB LEU 28 HB2 LEU 28 3.801 -5.375 5.171 221 2HB LEU 28 HB1 LEU 28 5.404 -5.448 4.467 222 HG LEU 28 HG LEU 28 3.074 -6.075 2.719 223 1HD1 LEU 28 HD11 LEU 28 3.863 -3.311 3.617 224 2HD1 LEU 28 HD12 LEU 28 2.289 -4.087 3.788 225 3HD1 LEU 28 HD13 LEU 28 2.886 -3.648 2.188 226 1HD2 LEU 28 HD21 LEU 28 5.054 -6.327 1.571 227 2HD2 LEU 28 HD22 LEU 28 5.848 -5.011 2.435 228 3HD2 LEU 28 HD23 LEU 28 4.645 -4.653 1.196 229 H ASP 29 HN ASP 29 3.749 -7.168 7.036 230 HA ASP 29 HA ASP 29 6.236 -7.135 8.309 231 1HB ASP 29 HB2 ASP 29 3.426 -7.540 9.140 232 2HB ASP 29 HB1 ASP 29 4.645 -8.181 10.238 233 H GLY 30 HN GLY 30 3.979 -9.854 7.841 234 1HA GLY 30 HA2 GLY 30 5.539 -11.826 9.069 235 2HA GLY 30 HA1 GLY 30 4.332 -12.122 7.826 236 H LYS 31 HN LYS 31 5.712 -10.460 5.851 237 HA LYS 31 HA LYS 31 7.459 -12.478 4.811 238 1HB LYS 31 HB2 LYS 31 6.709 -9.727 3.821 239 2HB LYS 31 HB1 LYS 31 7.782 -10.810 2.944 240 1HG LYS 31 HG2 LYS 31 6.001 -12.456 2.763 241 2HG LYS 31 HG1 LYS 31 4.923 -11.403 3.681 242 1HD LYS 31 HD2 LYS 31 4.451 -11.187 1.320 243 2HD LYS 31 HD1 LYS 31 5.155 -9.685 1.922 244 1HE LYS 31 HE2 LYS 31 6.913 -9.850 0.556 245 2HE LYS 31 HE1 LYS 31 7.172 -11.545 0.968 246 1HZ LYS 31 HZ1 LYS 31 5.102 -10.604 -0.940 247 2HZ LYS 31 HZ2 LYS 31 5.564 -12.203 -0.643 248 3HZ LYS 31 HZ3 LYS 31 6.638 -11.142 -1.404 249 H ARG 32 HN ARG 32 7.912 -9.884 6.923 250 HA ARG 32 HA ARG 32 9.763 -8.998 7.900 251 1HB ARG 32 HB2 ARG 32 10.510 -11.560 7.263 252 2HB ARG 32 HB1 ARG 32 11.753 -10.610 6.463 253 1HG ARG 32 HG2 ARG 32 12.808 -10.420 8.396 254 2HG ARG 32 HG1 ARG 32 11.438 -9.507 9.031 255 1HD ARG 32 HD2 ARG 32 11.140 -12.445 8.963 256 2HD ARG 32 HD1 ARG 32 12.322 -11.808 10.106 257 HE ARG 32 HE ARG 32 10.136 -10.288 10.572 258 1HH1 ARG 32 HH11 ARG 32 10.653 -13.736 10.416 259 2HH1 ARG 32 HH12 ARG 32 9.402 -14.101 11.556 260 1HH2 ARG 32 HH21 ARG 32 8.490 -10.766 12.072 261 2HH2 ARG 32 HH22 ARG 32 8.173 -12.415 12.496 262 H ILE 33 HN ILE 33 8.754 -7.721 5.673 263 HA ILE 33 HA ILE 33 11.012 -6.997 3.989 264 HB ILE 33 HB ILE 33 8.197 -5.913 3.886 265 1HG1 ILE 33 HG12 ILE 33 9.447 -8.223 2.383 266 2HG1 ILE 33 HG11 ILE 33 8.141 -8.326 3.559 267 1HG2 ILE 33 HG21 ILE 33 9.686 -4.458 2.749 268 2HG2 ILE 33 HG22 ILE 33 8.875 -5.417 1.511 269 3HG2 ILE 33 HG23 ILE 33 10.528 -5.806 1.985 270 1HD1 ILE 33 HD11 ILE 33 6.610 -7.888 2.017 271 2HD1 ILE 33 HD12 ILE 33 7.885 -8.122 0.821 272 3HD1 ILE 33 HD13 ILE 33 7.511 -6.501 1.407 273 H GLN 34 HN GLN 34 11.553 -4.758 3.641 274 HA GLN 34 HA GLN 34 11.398 -3.212 6.132 275 1HB GLN 34 HB2 GLN 34 13.281 -2.719 3.829 276 2HB GLN 34 HB1 GLN 34 13.412 -2.122 5.478 277 1HG GLN 34 HG2 GLN 34 14.836 -3.807 5.776 278 2HG GLN 34 HG1 GLN 34 13.396 -4.821 5.859 279 1HE2 GLN 34 HE21 GLN 34 12.887 -6.153 4.153 280 2HE2 GLN 34 HE22 GLN 34 13.976 -6.467 2.850 281 H TYR 35 HN TYR 35 9.216 -3.275 4.278 282 HA TYR 35 HA TYR 35 9.158 -1.060 2.556 283 1HB TYR 35 HB2 TYR 35 6.792 -1.393 2.439 284 2HB TYR 35 HB1 TYR 35 7.534 -2.983 2.574 285 HD1 TYR 35 HD1 TYR 35 7.571 -4.082 4.889 286 HD2 TYR 35 HD2 TYR 35 5.144 -0.715 3.956 287 HE1 TYR 35 HE1 TYR 35 6.145 -4.580 6.828 288 HE2 TYR 35 HE2 TYR 35 3.711 -1.204 5.893 289 HH TYR 35 HH TYR 35 3.920 -4.147 7.638 290 H GLN 36 HN GLN 36 8.051 0.954 2.784 291 HA GLN 36 HA GLN 36 8.413 2.118 5.430 292 1HB GLN 36 HB2 GLN 36 8.574 3.065 2.709 293 2HB GLN 36 HB1 GLN 36 7.484 4.084 3.638 294 1HG GLN 36 HG2 GLN 36 9.471 5.139 4.001 295 2HG GLN 36 HG1 GLN 36 9.426 4.050 5.386 296 1HE2 GLN 36 HE21 GLN 36 11.073 4.959 2.546 297 2HE2 GLN 36 HE22 GLN 36 12.334 3.781 2.619 298 H LEU 37 HN LEU 37 6.655 4.019 5.776 299 HA LEU 37 HA LEU 37 3.985 3.016 5.194 300 1HB LEU 37 HB2 LEU 37 4.939 2.190 7.450 301 2HB LEU 37 HB1 LEU 37 4.670 3.832 7.993 302 HG LEU 37 HG LEU 37 2.521 2.029 6.874 303 1HD1 LEU 37 HD11 LEU 37 1.785 2.260 9.383 304 2HD1 LEU 37 HD12 LEU 37 3.514 2.495 9.641 305 3HD1 LEU 37 HD13 LEU 37 2.929 1.014 8.884 306 1HD2 LEU 37 HD21 LEU 37 2.548 4.810 7.988 307 2HD2 LEU 37 HD22 LEU 37 1.097 3.811 8.074 308 3HD2 LEU 37 HD23 LEU 37 1.802 4.210 6.507 309 H VAL 38 HN VAL 38 4.064 4.850 3.808 310 HA VAL 38 HA VAL 38 4.312 7.477 4.956 311 HB VAL 38 HB VAL 38 3.378 8.180 2.643 312 1HG1 VAL 38 HG11 VAL 38 6.034 6.859 3.113 313 2HG1 VAL 38 HG12 VAL 38 5.642 8.579 3.103 314 3HG1 VAL 38 HG13 VAL 38 5.645 7.666 1.594 315 1HG2 VAL 38 HG21 VAL 38 2.543 5.834 2.169 316 2HG2 VAL 38 HG22 VAL 38 4.227 5.390 1.903 317 3HG2 VAL 38 HG23 VAL 38 3.464 6.608 0.882 318 H ASP 39 HN ASP 39 2.727 7.199 6.589 319 HA ASP 39 HA ASP 39 -0.048 6.908 5.874 320 1HB ASP 39 HB2 ASP 39 1.269 6.361 8.136 321 2HB ASP 39 HB1 ASP 39 0.728 7.989 8.537 322 H ILE 40 HN ILE 40 -1.323 8.460 5.158 323 HA ILE 40 HA ILE 40 -0.458 11.190 5.073 324 HB ILE 40 HB ILE 40 -2.608 11.631 3.957 325 1HG1 ILE 40 HG12 ILE 40 -3.133 8.684 4.411 326 2HG1 ILE 40 HG11 ILE 40 -3.969 10.003 5.225 327 1HG2 ILE 40 HG21 ILE 40 -1.889 9.249 2.474 328 2HG2 ILE 40 HG22 ILE 40 -0.468 10.142 3.016 329 3HG2 ILE 40 HG23 ILE 40 -1.698 10.948 2.044 330 1HD1 ILE 40 HD11 ILE 40 -5.483 9.783 3.609 331 2HD1 ILE 40 HD12 ILE 40 -4.384 8.868 2.577 332 3HD1 ILE 40 HD13 ILE 40 -4.319 10.631 2.591 333 H SER 41 HN SER 41 -2.188 9.329 7.337 334 HA SER 41 HA SER 41 -4.004 11.195 8.365 335 1HB SER 41 HB2 SER 41 -2.516 8.983 9.801 336 2HB SER 41 HB1 SER 41 -3.916 9.844 10.442 337 HG SER 41 HG SER 41 -5.173 8.975 8.830 338 H GLN 42 HN GLN 42 -0.565 10.945 8.659 339 HA GLN 42 HA GLN 42 -0.113 12.356 11.022 340 1HB GLN 42 HB2 GLN 42 1.613 11.130 9.710 341 2HB GLN 42 HB1 GLN 42 1.575 12.420 8.517 342 1HG GLN 42 HG2 GLN 42 2.033 13.859 10.739 343 2HG GLN 42 HG1 GLN 42 2.807 12.340 11.189 344 1HE2 GLN 42 HE21 GLN 42 4.836 12.096 10.598 345 2HE2 GLN 42 HE22 GLN 42 5.639 12.955 9.332 346 H ASP 43 HN ASP 43 0.235 13.690 7.735 347 HA ASP 43 HA ASP 43 -0.683 16.282 8.798 348 1HB ASP 43 HB2 ASP 43 1.766 15.689 7.609 349 2HB ASP 43 HB1 ASP 43 0.843 16.466 6.327 350 H ASN 44 HN ASN 44 -1.882 17.641 7.347 351 HA ASN 44 HA ASN 44 -3.808 16.178 5.828 352 1HB ASN 44 HB2 ASN 44 -3.602 18.776 6.987 353 2HB ASN 44 HB1 ASN 44 -4.006 18.972 5.284 354 1HD2 ASN 44 HD21 ASN 44 -5.973 18.273 4.531 355 2HD2 ASN 44 HD22 ASN 44 -7.258 17.781 5.576 356 H ALA 45 HN ALA 45 -0.852 17.799 5.085 357 HA ALA 45 HA ALA 45 -1.321 18.400 2.369 358 1HB ALA 45 HB1 ALA 45 0.532 19.490 3.164 359 2HB ALA 45 HB2 ALA 45 1.294 18.143 2.318 360 3HB ALA 45 HB3 ALA 45 1.102 18.089 4.071 361 H LEU 46 HN LEU 46 -0.201 15.501 4.009 362 HA LEU 46 HA LEU 46 0.656 14.069 1.748 363 1HB LEU 46 HB2 LEU 46 -0.374 13.212 4.441 364 2HB LEU 46 HB1 LEU 46 0.098 12.044 3.223 365 HG LEU 46 HG LEU 46 1.850 12.528 4.934 366 1HD1 LEU 46 HD11 LEU 46 3.042 13.452 2.401 367 2HD1 LEU 46 HD12 LEU 46 2.129 11.945 2.330 368 3HD1 LEU 46 HD13 LEU 46 3.488 12.102 3.443 369 1HD2 LEU 46 HD21 LEU 46 3.061 14.605 4.856 370 2HD2 LEU 46 HD22 LEU 46 1.354 14.946 5.143 371 3HD2 LEU 46 HD23 LEU 46 2.045 15.192 3.539 372 H ARG 47 HN ARG 47 -2.498 14.398 3.284 373 HA ARG 47 HA ARG 47 -3.882 12.446 1.834 374 1HB ARG 47 HB2 ARG 47 -4.618 14.855 3.397 375 2HB ARG 47 HB1 ARG 47 -5.826 14.260 2.267 376 1HG ARG 47 HG2 ARG 47 -5.561 12.002 3.344 377 2HG ARG 47 HG1 ARG 47 -4.591 12.799 4.584 378 1HD ARG 47 HD2 ARG 47 -6.384 13.773 5.544 379 2HD ARG 47 HD1 ARG 47 -7.179 14.070 3.998 380 HE ARG 47 HE ARG 47 -7.147 11.301 4.766 381 1HH1 ARG 47 HH11 ARG 47 -8.849 14.333 5.069 382 2HH1 ARG 47 HH12 ARG 47 -10.367 13.587 5.440 383 1HH2 ARG 47 HH21 ARG 47 -9.143 10.318 5.254 384 2HH2 ARG 47 HH22 ARG 47 -10.534 11.308 5.545 385 H ASP 48 HN ASP 48 -3.494 15.926 1.181 386 HA ASP 48 HA ASP 48 -4.789 15.656 -1.378 387 1HB ASP 48 HB2 ASP 48 -4.595 17.736 0.361 388 2HB ASP 48 HB1 ASP 48 -3.353 18.161 -0.813 389 H GLU 49 HN GLU 49 -1.875 14.845 -0.359 390 HA GLU 49 HA GLU 49 -0.441 15.697 -2.768 391 1HB GLU 49 HB2 GLU 49 0.721 16.106 -0.662 392 2HB GLU 49 HB1 GLU 49 0.571 14.410 -0.223 393 1HG GLU 49 HG2 GLU 49 1.824 14.313 -2.669 394 2HG GLU 49 HG1 GLU 49 2.527 15.740 -1.909 395 H MET 50 HN MET 50 -1.710 12.920 -1.099 396 HA MET 50 HA MET 50 -0.443 11.007 -2.856 397 1HB MET 50 HB2 MET 50 -1.077 10.640 -0.393 398 2HB MET 50 HB1 MET 50 -2.725 10.443 -0.972 399 1HG MET 50 HG2 MET 50 -0.515 8.827 -2.162 400 2HG MET 50 HG1 MET 50 -1.223 8.366 -0.614 401 1HE MET 50 HE1 MET 50 -4.901 7.650 -1.459 402 2HE MET 50 HE2 MET 50 -3.932 8.706 -0.432 403 3HE MET 50 HE3 MET 50 -3.602 6.974 -0.477 404 H ARG 51 HN ARG 51 -3.666 12.384 -2.381 405 HA ARG 51 HA ARG 51 -5.044 10.816 -4.248 406 1HB ARG 51 HB2 ARG 51 -5.498 13.397 -2.881 407 2HB ARG 51 HB1 ARG 51 -6.390 13.166 -4.378 408 1HG ARG 51 HG2 ARG 51 -7.844 12.376 -2.761 409 2HG ARG 51 HG1 ARG 51 -7.083 10.904 -3.369 410 1HD ARG 51 HD2 ARG 51 -5.475 11.031 -1.474 411 2HD ARG 51 HD1 ARG 51 -6.392 12.397 -0.842 412 HE ARG 51 HE ARG 51 -7.099 9.619 -0.695 413 1HH1 ARG 51 HH11 ARG 51 -8.341 12.880 -0.693 414 2HH1 ARG 51 HH12 ARG 51 -9.787 12.462 0.162 415 1HH2 ARG 51 HH21 ARG 51 -9.002 9.067 0.428 416 2HH2 ARG 51 HH22 ARG 51 -10.163 10.297 0.799 417 H ALA 52 HN ALA 52 -2.970 13.594 -4.639 418 HA ALA 52 HA ALA 52 -3.732 14.093 -7.368 419 1HB ALA 52 HB1 ALA 52 -2.872 15.853 -5.821 420 2HB ALA 52 HB2 ALA 52 -2.028 15.772 -7.368 421 3HB ALA 52 HB3 ALA 52 -1.285 15.091 -5.921 422 H LEU 53 HN LEU 53 -0.709 12.952 -5.847 423 HA LEU 53 HA LEU 53 0.572 12.212 -8.221 424 1HB LEU 53 HB2 LEU 53 0.895 11.165 -5.411 425 2HB LEU 53 HB1 LEU 53 1.965 10.742 -6.734 426 HG LEU 53 HG LEU 53 1.528 13.610 -5.953 427 1HD1 LEU 53 HD11 LEU 53 3.777 13.243 -4.723 428 2HD1 LEU 53 HD12 LEU 53 3.266 11.557 -4.649 429 3HD1 LEU 53 HD13 LEU 53 2.271 12.813 -3.913 430 1HD2 LEU 53 HD21 LEU 53 3.881 13.732 -6.881 431 2HD2 LEU 53 HD22 LEU 53 2.599 13.392 -8.044 432 3HD2 LEU 53 HD23 LEU 53 3.634 12.086 -7.465 433 H ALA 54 HN ALA 54 -1.809 10.566 -6.287 434 HA ALA 54 HA ALA 54 -1.408 7.989 -7.488 435 1HB ALA 54 HB1 ALA 54 -3.825 8.918 -5.956 436 2HB ALA 54 HB2 ALA 54 -2.333 8.377 -5.187 437 3HB ALA 54 HB3 ALA 54 -3.260 7.264 -6.192 438 H GLY 55 HN GLY 55 -2.886 10.837 -8.546 439 1HA GLY 55 HA2 GLY 55 -4.206 11.315 -10.362 440 2HA GLY 55 HA1 GLY 55 -3.755 9.730 -10.973 441 H ASN 56 HN ASN 56 -5.605 10.664 -8.091 442 HA ASN 56 HA ASN 56 -8.165 10.191 -9.004 443 1HB ASN 56 HB2 ASN 56 -8.457 7.872 -7.820 444 2HB ASN 56 HB1 ASN 56 -7.877 7.932 -9.480 445 1HD2 ASN 56 HD21 ASN 56 -6.543 8.125 -6.194 446 2HD2 ASN 56 HD22 ASN 56 -5.211 7.066 -6.492 447 HA PRO 57 HA PRO 57 -8.334 11.738 -4.876 448 1HB PRO 57 HB2 PRO 57 -10.765 13.018 -5.522 449 2HB PRO 57 HB1 PRO 57 -9.160 13.731 -5.502 450 1HG PRO 57 HG2 PRO 57 -10.754 13.373 -7.747 451 2HG PRO 57 HG1 PRO 57 -9.007 13.672 -7.756 452 1HD PRO 57 HD2 PRO 57 -10.495 11.100 -8.020 453 2HD PRO 57 HD1 PRO 57 -9.001 11.637 -8.819 454 H LYS 58 HN LYS 58 -9.553 9.111 -5.797 455 HA LYS 58 HA LYS 58 -11.636 8.982 -3.729 456 1HB LYS 58 HB2 LYS 58 -11.703 7.987 -6.543 457 2HB LYS 58 HB1 LYS 58 -12.521 7.045 -5.303 458 1HG LYS 58 HG2 LYS 58 -13.113 9.915 -5.244 459 2HG LYS 58 HG1 LYS 58 -13.644 9.076 -6.703 460 1HD LYS 58 HD2 LYS 58 -15.202 7.860 -5.596 461 2HD LYS 58 HD1 LYS 58 -14.212 7.720 -4.142 462 1HE LYS 58 HE2 LYS 58 -15.159 10.435 -4.742 463 2HE LYS 58 HE1 LYS 58 -16.429 9.274 -4.360 464 1HZ LYS 58 HZ1 LYS 58 -15.884 10.021 -2.289 465 2HZ LYS 58 HZ2 LYS 58 -14.254 10.271 -2.665 466 3HZ LYS 58 HZ3 LYS 58 -14.828 8.703 -2.397 467 H ALA 59 HN ALA 59 -8.620 8.055 -4.518 468 HA ALA 59 HA ALA 59 -8.501 5.297 -4.161 469 1HB ALA 59 HB1 ALA 59 -6.214 6.455 -2.944 470 2HB ALA 59 HB2 ALA 59 -6.664 7.457 -4.323 471 3HB ALA 59 HB3 ALA 59 -6.362 5.734 -4.546 472 H THR 60 HN THR 60 -6.827 4.799 -2.029 473 HA THR 60 HA THR 60 -8.235 5.633 0.386 474 HB THR 60 HB THR 60 -8.059 3.024 0.971 475 HG1 THR 60 HG1 THR 60 -7.951 1.802 -0.716 476 1HG2 THR 60 HG21 THR 60 -10.308 4.319 -0.541 477 2HG2 THR 60 HG22 THR 60 -10.125 4.180 1.208 478 3HG2 THR 60 HG23 THR 60 -10.412 2.738 0.234 479 HA PRO 61 HA PRO 61 -4.475 5.651 2.660 480 1HB PRO 61 HB2 PRO 61 -4.890 3.310 4.268 481 2HB PRO 61 HB1 PRO 61 -5.058 5.001 4.737 482 1HG PRO 61 HG2 PRO 61 -7.126 3.062 3.930 483 2HG PRO 61 HG1 PRO 61 -7.279 4.530 4.908 484 1HD PRO 61 HD2 PRO 61 -8.231 4.378 2.392 485 2HD PRO 61 HD1 PRO 61 -7.563 5.884 3.055 486 HA PRO 62 HA PRO 62 -2.598 1.251 1.876 487 1HB PRO 62 HB2 PRO 62 -4.219 -0.549 0.593 488 2HB PRO 62 HB1 PRO 62 -4.030 -0.466 2.347 489 1HG PRO 62 HG2 PRO 62 -6.196 0.662 0.619 490 2HG PRO 62 HG1 PRO 62 -6.326 -0.166 2.182 491 1HD PRO 62 HD2 PRO 62 -6.487 2.507 1.981 492 2HD PRO 62 HD1 PRO 62 -5.719 1.722 3.375 493 H GLN 63 HN GLN 63 -1.460 2.468 0.358 494 HA GLN 63 HA GLN 63 -2.130 1.862 -2.430 495 1HB GLN 63 HB2 GLN 63 -1.362 4.608 -1.418 496 2HB GLN 63 HB1 GLN 63 -1.528 4.161 -3.110 497 1HG GLN 63 HG2 GLN 63 -3.893 3.534 -1.539 498 2HG GLN 63 HG1 GLN 63 -3.482 5.248 -1.519 499 1HE2 GLN 63 HE21 GLN 63 -4.909 2.734 -3.251 500 2HE2 GLN 63 HE22 GLN 63 -5.177 3.573 -4.737 501 H ILE 64 HN ILE 64 -0.458 0.862 -3.314 502 HA ILE 64 HA ILE 64 2.140 0.931 -2.077 503 HB ILE 64 HB ILE 64 1.392 -0.383 -4.687 504 1HG1 ILE 64 HG12 ILE 64 1.448 -2.397 -2.850 505 2HG1 ILE 64 HG11 ILE 64 0.756 -1.090 -1.894 506 1HG2 ILE 64 HG21 ILE 64 3.461 -1.416 -2.818 507 2HG2 ILE 64 HG22 ILE 64 3.848 -0.009 -3.808 508 3HG2 ILE 64 HG23 ILE 64 3.369 -1.523 -4.576 509 1HD1 ILE 64 HD11 ILE 64 -0.368 -1.616 -4.591 510 2HD1 ILE 64 HD12 ILE 64 -1.155 -1.014 -3.133 511 3HD1 ILE 64 HD13 ILE 64 -0.756 -2.725 -3.276 512 H VAL 65 HN VAL 65 3.563 2.483 -2.443 513 HA VAL 65 HA VAL 65 3.751 3.616 -5.155 514 HB VAL 65 HB VAL 65 4.145 5.148 -2.582 515 1HG1 VAL 65 HG11 VAL 65 3.807 6.530 -5.167 516 2HG1 VAL 65 HG12 VAL 65 5.336 5.687 -4.924 517 3HG1 VAL 65 HG13 VAL 65 4.828 6.934 -3.787 518 1HG2 VAL 65 HG21 VAL 65 1.863 5.155 -4.549 519 2HG2 VAL 65 HG22 VAL 65 2.092 6.367 -3.289 520 3HG2 VAL 65 HG23 VAL 65 1.809 4.683 -2.850 521 H ASN 66 HN ASN 66 5.754 3.794 -5.999 522 HA ASN 66 HA ASN 66 8.054 3.225 -4.256 523 1HB ASN 66 HB2 ASN 66 7.130 1.340 -5.906 524 2HB ASN 66 HB1 ASN 66 8.112 2.232 -7.064 525 1HD2 ASN 66 HD21 ASN 66 8.172 -0.357 -5.194 526 2HD2 ASN 66 HD22 ASN 66 9.847 -0.431 -4.784 527 H GLY 67 HN GLY 67 9.467 4.842 -4.320 528 1HA GLY 67 HA2 GLY 67 10.736 6.594 -5.087 529 2HA GLY 67 HA1 GLY 67 10.512 5.930 -6.699 530 H ASP 68 HN ASP 68 7.797 6.858 -4.727 531 HA ASP 68 HA ASP 68 6.325 8.598 -4.819 532 1HB ASP 68 HB2 ASP 68 8.594 9.923 -5.165 533 2HB ASP 68 HB1 ASP 68 7.966 10.119 -6.799 534 H GLN 69 HN GLN 69 6.210 6.343 -6.562 535 HA GLN 69 HA GLN 69 4.730 7.535 -8.799 536 1HB GLN 69 HB2 GLN 69 6.873 5.492 -8.817 537 2HB GLN 69 HB1 GLN 69 5.494 5.178 -9.854 538 1HG GLN 69 HG2 GLN 69 7.091 7.723 -9.895 539 2HG GLN 69 HG1 GLN 69 7.382 6.351 -10.964 540 1HE2 GLN 69 HE21 GLN 69 5.827 5.826 -12.533 541 2HE2 GLN 69 HE22 GLN 69 4.653 6.979 -13.061 542 H TYR 70 HN TYR 70 3.028 6.111 -9.655 543 HA TYR 70 HA TYR 70 1.618 4.841 -7.491 544 1HB TYR 70 HB2 TYR 70 0.749 6.231 -9.616 545 2HB TYR 70 HB1 TYR 70 0.615 4.605 -10.276 546 HD1 TYR 70 HD1 TYR 70 -1.701 4.275 -10.378 547 HD2 TYR 70 HD2 TYR 70 0.042 5.698 -6.767 548 HE1 TYR 70 HE1 TYR 70 -3.854 3.982 -9.228 549 HE2 TYR 70 HE2 TYR 70 -2.104 5.405 -5.608 550 HH TYR 70 HH TYR 70 -4.533 3.577 -6.666 551 H CYS 71 HN CYS 71 2.506 2.948 -6.890 552 HA CYS 71 HA CYS 71 3.474 1.036 -8.808 553 1HB CYS 71 HB2 CYS 71 4.144 1.519 -6.254 554 2HB CYS 71 HB1 CYS 71 2.990 0.215 -5.996 555 HG CYS 71 HG CYS 71 5.786 -0.203 -6.775 556 H GLY 72 HN GLY 72 0.843 0.948 -6.372 557 1HA GLY 72 HA2 GLY 72 -0.945 -0.325 -8.197 558 2HA GLY 72 HA1 GLY 72 -0.260 -1.484 -7.070 559 H ASP 73 HN ASP 73 -2.313 -1.894 -6.199 560 HA ASP 73 HA ASP 73 -3.090 0.013 -4.146 561 1HB ASP 73 HB2 ASP 73 -4.459 0.122 -6.485 562 2HB ASP 73 HB1 ASP 73 -5.391 -1.106 -5.632 563 H TYR 74 HN TYR 74 -5.401 -1.203 -3.274 564 HA TYR 74 HA TYR 74 -4.363 -3.467 -1.896 565 1HB TYR 74 HB2 TYR 74 -5.980 -1.965 -0.842 566 2HB TYR 74 HB1 TYR 74 -7.189 -2.392 -2.049 567 HD1 TYR 74 HD1 TYR 74 -8.427 -4.440 -1.891 568 HD2 TYR 74 HD2 TYR 74 -5.307 -3.599 0.877 569 HE1 TYR 74 HE1 TYR 74 -9.200 -6.290 -0.467 570 HE2 TYR 74 HE2 TYR 74 -6.071 -5.447 2.308 571 HH TYR 74 HH TYR 74 -7.700 -7.833 1.520 572 H GLU 75 HN GLU 75 -6.827 -3.066 -4.427 573 HA GLU 75 HA GLU 75 -7.640 -5.707 -4.647 574 1HB GLU 75 HB2 GLU 75 -8.238 -3.343 -5.885 575 2HB GLU 75 HB1 GLU 75 -7.456 -4.235 -7.179 576 1HG GLU 75 HG2 GLU 75 -9.331 -5.906 -5.787 577 2HG GLU 75 HG1 GLU 75 -10.103 -4.420 -6.334 578 H LEU 76 HN LEU 76 -5.064 -4.010 -6.421 579 HA LEU 76 HA LEU 76 -4.255 -6.117 -8.052 580 1HB LEU 76 HB2 LEU 76 -2.571 -3.910 -6.867 581 2HB LEU 76 HB1 LEU 76 -2.094 -4.934 -8.207 582 HG LEU 76 HG LEU 76 -4.438 -3.944 -9.153 583 1HD1 LEU 76 HD11 LEU 76 -5.025 -1.957 -8.319 584 2HD1 LEU 76 HD12 LEU 76 -3.352 -1.418 -8.176 585 3HD1 LEU 76 HD13 LEU 76 -4.069 -2.416 -6.911 586 1HD2 LEU 76 HD21 LEU 76 -1.963 -2.310 -9.483 587 2HD2 LEU 76 HD22 LEU 76 -3.140 -2.827 -10.691 588 3HD2 LEU 76 HD23 LEU 76 -1.981 -3.984 -10.037 589 H PHE 77 HN PHE 77 -2.483 -5.009 -5.165 590 HA PHE 77 HA PHE 77 -0.753 -7.105 -4.883 591 1HB PHE 77 HB2 PHE 77 -0.592 -5.120 -3.505 592 2HB PHE 77 HB1 PHE 77 -2.110 -5.508 -2.704 593 HD1 PHE 77 HD1 PHE 77 -2.213 -7.608 -1.291 594 HD2 PHE 77 HD2 PHE 77 1.440 -5.934 -2.694 595 HE1 PHE 77 HE1 PHE 77 -0.982 -8.856 0.436 596 HE2 PHE 77 HE2 PHE 77 2.677 -7.179 -0.970 597 HZ PHE 77 HZ PHE 77 1.466 -8.642 0.597 598 H VAL 78 HN VAL 78 -3.997 -6.881 -3.419 599 HA VAL 78 HA VAL 78 -3.913 -9.436 -2.208 600 HB VAL 78 HB VAL 78 -6.359 -7.859 -3.019 601 1HG1 VAL 78 HG11 VAL 78 -7.324 -9.811 -2.413 602 2HG1 VAL 78 HG12 VAL 78 -7.067 -9.178 -0.787 603 3HG1 VAL 78 HG13 VAL 78 -5.927 -10.336 -1.474 604 1HG2 VAL 78 HG21 VAL 78 -6.209 -6.622 -1.103 605 2HG2 VAL 78 HG22 VAL 78 -4.493 -6.845 -1.446 606 3HG2 VAL 78 HG23 VAL 78 -5.291 -7.859 -0.244 607 H GLU 79 HN GLU 79 -4.956 -8.322 -5.378 608 HA GLU 79 HA GLU 79 -6.195 -10.796 -6.105 609 1HB GLU 79 HB2 GLU 79 -6.845 -8.651 -7.128 610 2HB GLU 79 HB1 GLU 79 -5.254 -8.531 -7.868 611 1HG GLU 79 HG2 GLU 79 -6.378 -11.057 -8.538 612 2HG GLU 79 HG1 GLU 79 -7.569 -9.799 -8.866 613 H ALA 80 HN ALA 80 -2.999 -9.988 -5.683 614 HA ALA 80 HA ALA 80 -2.023 -11.673 -7.861 615 1HB ALA 80 HB1 ALA 80 -0.985 -9.433 -7.278 616 2HB ALA 80 HB2 ALA 80 0.122 -10.795 -7.441 617 3HB ALA 80 HB3 ALA 80 -0.339 -10.220 -5.839 618 H VAL 81 HN VAL 81 -1.607 -11.416 -4.320 619 HA VAL 81 HA VAL 81 -0.201 -13.771 -3.906 620 HB VAL 81 HB VAL 81 -2.298 -12.657 -2.036 621 1HG1 VAL 81 HG11 VAL 81 -0.887 -14.976 -1.807 622 2HG1 VAL 81 HG12 VAL 81 -1.528 -14.046 -0.453 623 3HG1 VAL 81 HG13 VAL 81 0.152 -13.839 -0.949 624 1HG2 VAL 81 HG21 VAL 81 0.561 -11.975 -1.691 625 2HG2 VAL 81 HG22 VAL 81 -0.883 -11.029 -1.332 626 3HG2 VAL 81 HG23 VAL 81 -0.304 -11.158 -2.992 627 H GLU 82 HN GLU 82 -3.595 -13.265 -4.472 628 HA GLU 82 HA GLU 82 -4.688 -15.654 -3.582 629 1HB GLU 82 HB2 GLU 82 -6.432 -15.233 -5.351 630 2HB GLU 82 HB1 GLU 82 -6.129 -13.887 -4.259 631 1HG GLU 82 HG2 GLU 82 -5.990 -12.671 -6.119 632 2HG GLU 82 HG1 GLU 82 -4.371 -13.357 -6.267 633 H GLN 83 HN GLN 83 -3.381 -14.890 -6.806 634 HA GLN 83 HA GLN 83 -3.553 -17.725 -7.520 635 1HB GLN 83 HB2 GLN 83 -4.185 -15.480 -8.952 636 2HB GLN 83 HB1 GLN 83 -2.567 -15.828 -9.540 637 1HG GLN 83 HG2 GLN 83 -3.223 -18.024 -10.234 638 2HG GLN 83 HG1 GLN 83 -4.807 -17.835 -9.484 639 1HE2 GLN 83 HE21 GLN 83 -5.947 -15.747 -10.286 640 2HE2 GLN 83 HE22 GLN 83 -5.962 -15.541 -12.001 641 H ASN 84 HN ASN 84 -1.443 -15.953 -5.927 642 HA ASN 84 HA ASN 84 0.727 -16.284 -5.379 643 1HB ASN 84 HB2 ASN 84 0.132 -18.683 -6.520 644 2HB ASN 84 HB1 ASN 84 1.399 -18.111 -7.601 645 1HD2 ASN 84 HD21 ASN 84 0.711 -18.277 -4.122 646 2HD2 ASN 84 HD22 ASN 84 2.298 -18.777 -3.660 647 H THR 85 HN THR 85 -0.398 -14.520 -7.543 648 HA THR 85 HA THR 85 1.827 -14.157 -9.341 649 HB THR 85 HB THR 85 0.146 -11.941 -9.588 650 HG1 THR 85 HG1 THR 85 -1.418 -14.274 -9.232 651 1HG2 THR 85 HG21 THR 85 0.032 -14.546 -11.087 652 2HG2 THR 85 HG22 THR 85 1.049 -13.157 -11.472 653 3HG2 THR 85 HG23 THR 85 -0.705 -13.028 -11.601 654 H LEU 86 HN LEU 86 0.858 -13.052 -6.263 655 HA LEU 86 HA LEU 86 1.581 -10.537 -5.846 656 1HB LEU 86 HB2 LEU 86 1.057 -12.069 -4.038 657 2HB LEU 86 HB1 LEU 86 2.597 -12.880 -4.245 658 HG LEU 86 HG LEU 86 3.668 -10.620 -3.692 659 1HD1 LEU 86 HD11 LEU 86 2.435 -8.879 -3.021 660 2HD1 LEU 86 HD12 LEU 86 1.325 -9.895 -2.101 661 3HD1 LEU 86 HD13 LEU 86 1.107 -9.700 -3.841 662 1HD2 LEU 86 HD21 LEU 86 2.422 -12.607 -1.937 663 2HD2 LEU 86 HD22 LEU 86 2.788 -11.070 -1.155 664 3HD2 LEU 86 HD23 LEU 86 4.069 -11.980 -1.955 665 H GLN 87 HN GLN 87 3.922 -13.090 -6.572 666 HA GLN 87 HA GLN 87 6.276 -11.690 -6.086 667 1HB GLN 87 HB2 GLN 87 6.382 -14.036 -6.568 668 2HB GLN 87 HB1 GLN 87 5.651 -13.803 -8.151 669 1HG GLN 87 HG2 GLN 87 7.595 -12.774 -9.007 670 2HG GLN 87 HG1 GLN 87 8.298 -12.601 -7.400 671 1HE2 GLN 87 HE21 GLN 87 7.568 -14.810 -9.991 672 2HE2 GLN 87 HE22 GLN 87 8.606 -16.087 -9.465 673 H GLU 88 HN GLU 88 4.551 -12.025 -9.190 674 HA GLU 88 HA GLU 88 6.078 -10.414 -10.786 675 1HB GLU 88 HB2 GLU 88 3.180 -11.080 -10.713 676 2HB GLU 88 HB1 GLU 88 3.681 -9.762 -11.763 677 1HG GLU 88 HG2 GLU 88 3.711 -11.636 -13.136 678 2HG GLU 88 HG1 GLU 88 5.402 -11.393 -12.700 679 H PHE 89 HN PHE 89 4.025 -9.455 -8.169 680 HA PHE 89 HA PHE 89 4.237 -6.634 -8.912 681 1HB PHE 89 HB2 PHE 89 2.008 -7.499 -8.302 682 2HB PHE 89 HB1 PHE 89 2.626 -7.959 -6.720 683 HD1 PHE 89 HD1 PHE 89 1.070 -5.413 -8.622 684 HD2 PHE 89 HD2 PHE 89 3.593 -6.070 -5.260 685 HE1 PHE 89 HE1 PHE 89 0.483 -3.189 -7.753 686 HE2 PHE 89 HE2 PHE 89 3.012 -3.845 -4.384 687 HZ PHE 89 HZ PHE 89 1.454 -2.401 -5.631 688 H LEU 90 HN LEU 90 5.469 -8.968 -6.668 689 HA LEU 90 HA LEU 90 6.602 -6.865 -4.976 690 1HB LEU 90 HB2 LEU 90 5.437 -9.214 -4.298 691 2HB LEU 90 HB1 LEU 90 7.124 -9.691 -4.318 692 HG LEU 90 HG LEU 90 6.324 -9.011 -2.076 693 1HD1 LEU 90 HD11 LEU 90 8.338 -8.163 -1.517 694 2HD1 LEU 90 HD12 LEU 90 8.273 -6.903 -2.749 695 3HD1 LEU 90 HD13 LEU 90 8.719 -8.550 -3.195 696 1HD2 LEU 90 HD21 LEU 90 5.542 -6.907 -1.575 697 2HD2 LEU 90 HD22 LEU 90 4.852 -7.153 -3.179 698 3HD2 LEU 90 HD23 LEU 90 6.303 -6.169 -2.984 699 H LYS 91 HN LYS 91 7.857 -10.005 -6.132 700 HA LYS 91 HA LYS 91 10.513 -8.808 -6.315 701 1HB LYS 91 HB2 LYS 91 9.968 -11.694 -6.883 702 2HB LYS 91 HB1 LYS 91 11.399 -10.948 -6.187 703 1HG LYS 91 HG2 LYS 91 8.758 -11.088 -4.759 704 2HG LYS 91 HG1 LYS 91 10.009 -12.324 -4.616 705 1HD LYS 91 HD2 LYS 91 11.572 -10.683 -3.751 706 2HD LYS 91 HD1 LYS 91 10.382 -9.399 -3.973 707 1HE LYS 91 HE2 LYS 91 10.416 -10.048 -1.656 708 2HE LYS 91 HE1 LYS 91 8.892 -10.564 -2.377 709 1HZ LYS 91 HZ1 LYS 91 10.422 -12.152 -0.903 710 2HZ LYS 91 HZ2 LYS 91 11.054 -12.506 -2.432 711 3HZ LYS 91 HZ3 LYS 91 9.405 -12.729 -2.127 712 H LEU 92 HN LEU 92 7.952 -9.169 -8.358 713 HA LEU 92 HA LEU 92 7.669 -9.316 -10.617 714 1HB LEU 92 HB2 LEU 92 10.315 -8.033 -11.048 715 2HB LEU 92 HB1 LEU 92 8.765 -7.672 -11.779 716 HG LEU 92 HG LEU 92 9.172 -5.793 -10.487 717 1HD1 LEU 92 HD11 LEU 92 7.245 -7.656 -9.397 718 2HD1 LEU 92 HD12 LEU 92 7.123 -5.915 -9.641 719 3HD1 LEU 92 HD13 LEU 92 7.855 -6.550 -8.168 720 1HD2 LEU 92 HD21 LEU 92 10.556 -5.670 -8.730 721 2HD2 LEU 92 HD22 LEU 92 11.030 -7.300 -9.210 722 3HD2 LEU 92 HD23 LEU 92 9.836 -7.069 -7.934 723 H ALA 93 HN ALA 93 9.111 -11.560 -9.389 724 HA ALA 93 HA ALA 93 10.269 -13.433 -9.975 725 1HB ALA 93 HB1 ALA 93 9.817 -12.863 -12.861 726 2HB ALA 93 HB2 ALA 93 8.419 -13.117 -11.817 727 3HB ALA 93 HB3 ALA 93 9.647 -14.374 -11.967 728 H LEU 94 HN LEU 94 11.759 -10.915 -9.814 729 HA LEU 94 HA LEU 94 13.822 -11.214 -11.855 730 1HB LEU 94 HB2 LEU 94 12.767 -9.007 -10.682 731 2HB LEU 94 HB1 LEU 94 14.191 -9.247 -9.687 732 HG LEU 94 HG LEU 94 14.938 -9.480 -12.445 733 1HD1 LEU 94 HD11 LEU 94 12.821 -8.058 -12.652 734 2HD1 LEU 94 HD12 LEU 94 14.303 -7.439 -13.380 735 3HD1 LEU 94 HD13 LEU 94 13.745 -6.797 -11.835 736 1HD2 LEU 94 HD21 LEU 94 15.674 -7.097 -10.860 737 2HD2 LEU 94 HD22 LEU 94 16.689 -8.215 -11.771 738 3HD2 LEU 94 HD23 LEU 94 16.095 -8.665 -10.172 739 H GLU 95 HN GLU 95 13.764 -13.438 -10.341 740 HA GLU 95 HA GLU 95 16.238 -13.201 -8.774 741 1HB GLU 95 HB2 GLU 95 13.739 -14.697 -7.974 742 2HB GLU 95 HB1 GLU 95 15.302 -14.932 -7.204 743 1HG GLU 95 HG2 GLU 95 14.105 -13.455 -5.824 744 2HG GLU 95 HG1 GLU 95 15.287 -12.469 -6.683 Start of MODEL 12 1 1H MET 1 HT1 MET 1 19.894 -1.467 -3.960 2 2H MET 1 HT2 MET 1 18.400 -1.448 -4.803 3 3H MET 1 HT3 MET 1 18.422 -1.606 -3.095 4 HA MET 1 HA MET 1 19.074 0.548 -2.767 5 1HB MET 1 HB2 MET 1 20.633 0.171 -4.935 6 2HB MET 1 HB1 MET 1 19.385 1.184 -5.648 7 1HG MET 1 HG2 MET 1 20.844 2.784 -4.969 8 2HG MET 1 HG1 MET 1 19.840 2.665 -3.525 9 1HE MET 1 HE1 MET 1 23.754 2.480 -4.611 10 2HE MET 1 HE2 MET 1 22.749 1.251 -5.379 11 3HE MET 1 HE3 MET 1 23.943 0.783 -4.168 12 H SER 2 HN SER 2 16.602 -0.850 -3.401 13 HA SER 2 HA SER 2 15.016 1.481 -4.198 14 1HB SER 2 HB2 SER 2 15.078 -1.170 -5.536 15 2HB SER 2 HB1 SER 2 13.490 -0.441 -5.297 16 HG SER 2 HG SER 2 14.057 0.497 -7.124 17 H GLY 3 HN GLY 3 12.906 1.545 -3.326 18 1HA GLY 3 HA2 GLY 3 12.167 -0.558 -1.434 19 2HA GLY 3 HA1 GLY 3 12.428 1.052 -0.781 20 H LEU 4 HN LEU 4 10.004 -0.175 -0.461 21 HA LEU 4 HA LEU 4 8.271 1.280 -2.351 22 1HB LEU 4 HB2 LEU 4 7.891 -1.338 -0.931 23 2HB LEU 4 HB1 LEU 4 6.514 -0.418 -1.510 24 HG LEU 4 HG LEU 4 7.916 -0.473 -3.778 25 1HD1 LEU 4 HD11 LEU 4 8.542 -3.222 -2.917 26 2HD1 LEU 4 HD12 LEU 4 9.589 -1.951 -2.284 27 3HD1 LEU 4 HD13 LEU 4 9.400 -2.152 -4.026 28 1HD2 LEU 4 HD21 LEU 4 6.261 -2.794 -2.795 29 2HD2 LEU 4 HD22 LEU 4 6.541 -2.334 -4.474 30 3HD2 LEU 4 HD23 LEU 4 5.612 -1.275 -3.414 31 H ARG 5 HN ARG 5 6.368 2.265 -1.495 32 HA ARG 5 HA ARG 5 6.444 2.738 1.410 33 1HB ARG 5 HB2 ARG 5 5.742 5.085 0.952 34 2HB ARG 5 HB1 ARG 5 7.357 4.706 0.369 35 1HG ARG 5 HG2 ARG 5 6.082 4.204 -1.871 36 2HG ARG 5 HG1 ARG 5 4.870 5.271 -1.158 37 1HD ARG 5 HD2 ARG 5 7.771 6.035 -1.315 38 2HD ARG 5 HD1 ARG 5 6.655 6.335 -2.647 39 HE ARG 5 HE ARG 5 5.387 7.428 -0.525 40 1HH1 ARG 5 HH11 ARG 5 8.607 7.786 -1.823 41 2HH1 ARG 5 HH12 ARG 5 8.775 9.424 -1.287 42 1HH2 ARG 5 HH21 ARG 5 5.607 9.583 0.180 43 2HH2 ARG 5 HH22 ARG 5 7.073 10.445 -0.150 44 H VAL 6 HN VAL 6 4.725 1.536 2.026 45 HA VAL 6 HA VAL 6 2.276 1.486 0.511 46 HB VAL 6 HB VAL 6 2.731 0.425 3.300 47 1HG1 VAL 6 HG11 VAL 6 0.764 -0.443 1.188 48 2HG1 VAL 6 HG12 VAL 6 0.381 0.656 2.513 49 3HG1 VAL 6 HG13 VAL 6 0.859 -1.006 2.857 50 1HG2 VAL 6 HG21 VAL 6 2.995 -1.782 1.970 51 2HG2 VAL 6 HG22 VAL 6 4.374 -0.690 2.101 52 3HG2 VAL 6 HG23 VAL 6 3.414 -0.725 0.622 53 H TYR 7 HN TYR 7 0.578 2.790 0.735 54 HA TYR 7 HA TYR 7 0.649 4.862 2.767 55 1HB TYR 7 HB2 TYR 7 -0.936 4.392 0.270 56 2HB TYR 7 HB1 TYR 7 -1.545 5.518 1.478 57 HD1 TYR 7 HD1 TYR 7 0.994 4.922 -1.069 58 HD2 TYR 7 HD2 TYR 7 -0.326 7.590 1.970 59 HE1 TYR 7 HE1 TYR 7 2.440 6.683 -1.995 60 HE2 TYR 7 HE2 TYR 7 1.116 9.358 1.053 61 HH TYR 7 HH TYR 7 2.132 9.856 -1.325 62 H SER 8 HN SER 8 -0.984 5.268 4.265 63 HA SER 8 HA SER 8 -3.221 3.485 4.543 64 1HB SER 8 HB2 SER 8 -0.990 2.443 5.603 65 2HB SER 8 HB1 SER 8 -1.491 3.449 6.962 66 HG SER 8 HG SER 8 -2.964 2.027 7.381 67 H THR 9 HN THR 9 -4.288 3.942 6.811 68 HA THR 9 HA THR 9 -4.033 6.815 7.399 69 HB THR 9 HB THR 9 -6.007 6.419 5.979 70 HG1 THR 9 HG1 THR 9 -7.516 7.391 7.409 71 1HG2 THR 9 HG21 THR 9 -6.426 4.073 6.878 72 2HG2 THR 9 HG22 THR 9 -7.829 5.099 6.577 73 3HG2 THR 9 HG23 THR 9 -7.240 4.870 8.224 74 H SER 10 HN SER 10 -3.266 6.936 9.403 75 HA SER 10 HA SER 10 -3.444 4.931 11.350 76 1HB SER 10 HB2 SER 10 -1.965 7.161 11.127 77 2HB SER 10 HB1 SER 10 -3.175 7.745 12.269 78 HG SER 10 HG SER 10 -2.618 6.086 13.665 79 H VAL 11 HN VAL 11 -5.340 7.903 10.923 80 HA VAL 11 HA VAL 11 -6.982 7.474 13.207 81 HB VAL 11 HB VAL 11 -7.622 9.161 10.785 82 1HG1 VAL 11 HG11 VAL 11 -8.843 8.791 13.447 83 2HG1 VAL 11 HG12 VAL 11 -9.577 9.262 11.914 84 3HG1 VAL 11 HG13 VAL 11 -8.703 10.454 12.875 85 1HG2 VAL 11 HG21 VAL 11 -6.422 10.268 13.283 86 2HG2 VAL 11 HG22 VAL 11 -6.389 10.907 11.639 87 3HG2 VAL 11 HG23 VAL 11 -5.373 9.531 12.071 88 H THR 12 HN THR 12 -7.786 7.308 9.730 89 HA THR 12 HA THR 12 -9.275 6.038 8.572 90 HB THR 12 HB THR 12 -9.687 4.051 10.718 91 HG1 THR 12 HG1 THR 12 -7.599 3.328 10.702 92 1HG2 THR 12 HG21 THR 12 -9.461 4.103 7.841 93 2HG2 THR 12 HG22 THR 12 -10.178 2.889 8.900 94 3HG2 THR 12 HG23 THR 12 -8.448 2.851 8.560 95 H GLY 13 HN GLY 13 -11.486 4.573 9.276 96 1HA GLY 13 HA2 GLY 13 -13.191 5.321 11.234 97 2HA GLY 13 HA1 GLY 13 -13.276 6.680 10.123 98 H SER 14 HN SER 14 -12.809 4.848 7.809 99 HA SER 14 HA SER 14 -15.449 4.447 7.030 100 1HB SER 14 HB2 SER 14 -14.590 3.353 5.110 101 2HB SER 14 HB1 SER 14 -13.362 4.535 5.564 102 HG SER 14 HG SER 14 -12.228 2.836 6.597 103 H ARG 15 HN ARG 15 -13.305 2.409 8.847 104 HA ARG 15 HA ARG 15 -13.814 0.617 10.165 105 1HB ARG 15 HB2 ARG 15 -16.246 1.464 9.999 106 2HB ARG 15 HB1 ARG 15 -16.428 0.217 8.772 107 1HG ARG 15 HG2 ARG 15 -15.280 -1.171 10.823 108 2HG ARG 15 HG1 ARG 15 -16.294 -0.011 11.682 109 1HD ARG 15 HD2 ARG 15 -17.612 -1.255 9.388 110 2HD ARG 15 HD1 ARG 15 -17.133 -2.403 10.637 111 HE ARG 15 HE ARG 15 -18.705 -1.496 12.048 112 1HH1 ARG 15 HH11 ARG 15 -18.336 0.563 9.252 113 2HH1 ARG 15 HH12 ARG 15 -19.717 1.534 9.631 114 1HH2 ARG 15 HH21 ARG 15 -20.521 -0.219 12.545 115 2HH2 ARG 15 HH22 ARG 15 -20.958 1.092 11.500 116 H GLU 16 HN GLU 16 -13.902 0.727 6.879 117 HA GLU 16 HA GLU 16 -13.562 -2.159 6.544 118 1HB GLU 16 HB2 GLU 16 -13.855 -0.020 4.425 119 2HB GLU 16 HB1 GLU 16 -13.830 -1.757 4.151 120 1HG GLU 16 HG2 GLU 16 -15.856 -1.254 6.044 121 2HG GLU 16 HG1 GLU 16 -16.037 -0.059 4.760 122 H ILE 17 HN ILE 17 -11.968 0.938 6.056 123 HA ILE 17 HA ILE 17 -9.651 -0.072 4.770 124 HB ILE 17 HB ILE 17 -9.885 2.445 6.423 125 1HG1 ILE 17 HG12 ILE 17 -10.069 2.453 3.447 126 2HG1 ILE 17 HG11 ILE 17 -11.488 1.943 4.355 127 1HG2 ILE 17 HG21 ILE 17 -7.637 1.293 5.355 128 2HG2 ILE 17 HG22 ILE 17 -7.827 3.000 5.753 129 3HG2 ILE 17 HG23 ILE 17 -8.115 2.442 4.106 130 1HD1 ILE 17 HD11 ILE 17 -11.894 4.176 4.138 131 2HD1 ILE 17 HD12 ILE 17 -10.185 4.607 4.206 132 3HD1 ILE 17 HD13 ILE 17 -11.040 4.158 5.681 133 H LYS 18 HN LYS 18 -10.596 0.276 8.117 134 HA LYS 18 HA LYS 18 -8.118 0.086 9.373 135 1HB LYS 18 HB2 LYS 18 -10.914 -0.612 10.145 136 2HB LYS 18 HB1 LYS 18 -9.602 -1.175 11.171 137 1HG LYS 18 HG2 LYS 18 -9.147 0.887 11.952 138 2HG LYS 18 HG1 LYS 18 -9.500 1.668 10.409 139 1HD LYS 18 HD2 LYS 18 -11.814 1.679 10.821 140 2HD LYS 18 HD1 LYS 18 -11.670 0.503 12.129 141 1HE LYS 18 HE2 LYS 18 -10.154 2.998 12.498 142 2HE LYS 18 HE1 LYS 18 -11.909 3.174 12.496 143 1HZ LYS 18 HZ1 LYS 18 -11.631 1.074 14.098 144 2HZ LYS 18 HZ2 LYS 18 -11.654 2.669 14.659 145 3HZ LYS 18 HZ3 LYS 18 -10.178 1.875 14.432 146 H SER 19 HN SER 19 -10.087 -2.361 7.854 147 HA SER 19 HA SER 19 -8.453 -4.530 8.891 148 1HB SER 19 HB2 SER 19 -10.029 -5.761 7.098 149 2HB SER 19 HB1 SER 19 -10.574 -5.367 8.728 150 HG SER 19 HG SER 19 -10.992 -3.813 6.388 151 H GLN 20 HN GLN 20 -8.836 -2.650 5.977 152 HA GLN 20 HA GLN 20 -7.437 -4.346 4.209 153 1HB GLN 20 HB2 GLN 20 -8.297 -1.509 4.222 154 2HB GLN 20 HB1 GLN 20 -6.978 -1.919 3.135 155 1HG GLN 20 HG2 GLN 20 -8.471 -2.613 1.665 156 2HG GLN 20 HG1 GLN 20 -8.905 -3.914 2.773 157 1HE2 GLN 20 HE21 GLN 20 -10.905 -3.959 3.537 158 2HE2 GLN 20 HE22 GLN 20 -12.052 -2.672 3.434 159 H GLN 21 HN GLN 21 -6.375 -1.608 6.204 160 HA GLN 21 HA GLN 21 -3.665 -1.713 5.364 161 1HB GLN 21 HB2 GLN 21 -3.228 -0.208 7.240 162 2HB GLN 21 HB1 GLN 21 -4.652 0.305 6.344 163 1HG GLN 21 HG2 GLN 21 -6.106 -0.554 8.033 164 2HG GLN 21 HG1 GLN 21 -4.757 -1.309 8.880 165 1HE2 GLN 21 HE21 GLN 21 -6.642 1.480 8.514 166 2HE2 GLN 21 HE22 GLN 21 -5.755 2.515 9.576 167 H SER 22 HN SER 22 -5.478 -3.251 7.941 168 HA SER 22 HA SER 22 -3.247 -4.210 9.405 169 1HB SER 22 HB2 SER 22 -6.099 -5.218 9.282 170 2HB SER 22 HB1 SER 22 -4.896 -5.749 10.458 171 HG SER 22 HG SER 22 -6.412 -3.496 10.432 172 H GLU 23 HN GLU 23 -5.283 -5.643 6.883 173 HA GLU 23 HA GLU 23 -4.090 -8.194 6.900 174 1HB GLU 23 HB2 GLU 23 -6.268 -7.679 5.839 175 2HB GLU 23 HB1 GLU 23 -5.426 -6.770 4.592 176 1HG GLU 23 HG2 GLU 23 -4.460 -9.508 4.947 177 2HG GLU 23 HG1 GLU 23 -6.137 -9.386 4.417 178 H VAL 24 HN VAL 24 -3.442 -5.307 4.938 179 HA VAL 24 HA VAL 24 -1.472 -6.397 3.282 180 HB VAL 24 HB VAL 24 -1.561 -3.547 4.277 181 1HG1 VAL 24 HG11 VAL 24 -0.734 -3.404 1.724 182 2HG1 VAL 24 HG12 VAL 24 -0.063 -4.972 2.172 183 3HG1 VAL 24 HG13 VAL 24 0.365 -3.533 3.097 184 1HG2 VAL 24 HG21 VAL 24 -3.614 -4.852 3.008 185 2HG2 VAL 24 HG22 VAL 24 -2.744 -4.106 1.668 186 3HG2 VAL 24 HG23 VAL 24 -3.342 -3.110 2.995 187 H THR 25 HN THR 25 -1.163 -4.735 6.406 188 HA THR 25 HA THR 25 1.666 -4.913 6.518 189 HB THR 25 HB THR 25 1.359 -4.370 8.935 190 HG1 THR 25 HG1 THR 25 -0.612 -5.459 9.261 191 1HG2 THR 25 HG21 THR 25 1.477 -2.389 7.836 192 2HG2 THR 25 HG22 THR 25 -0.164 -2.274 8.471 193 3HG2 THR 25 HG23 THR 25 0.101 -2.753 6.794 194 H ARG 26 HN ARG 26 -0.938 -7.036 7.482 195 HA ARG 26 HA ARG 26 0.439 -8.737 9.215 196 1HB ARG 26 HB2 ARG 26 -2.109 -8.611 8.257 197 2HB ARG 26 HB1 ARG 26 -1.508 -10.038 7.426 198 1HG ARG 26 HG2 ARG 26 -2.163 -11.114 9.272 199 2HG ARG 26 HG1 ARG 26 -0.651 -10.511 9.954 200 1HD ARG 26 HD2 ARG 26 -3.065 -8.774 10.078 201 2HD ARG 26 HD1 ARG 26 -2.960 -10.146 11.180 202 HE ARG 26 HE ARG 26 -1.423 -7.718 11.278 203 1HH1 ARG 26 HH11 ARG 26 -1.523 -11.082 12.201 204 2HH1 ARG 26 HH12 ARG 26 -0.433 -10.879 13.530 205 1HH2 ARG 26 HH21 ARG 26 0.011 -7.449 13.026 206 2HH2 ARG 26 HH22 ARG 26 0.438 -8.816 14.000 207 H ILE 27 HN ILE 27 0.238 -8.710 5.696 208 HA ILE 27 HA ILE 27 1.731 -11.158 5.411 209 HB ILE 27 HB ILE 27 1.141 -9.119 3.269 210 1HG1 ILE 27 HG12 ILE 27 -0.513 -11.542 3.997 211 2HG1 ILE 27 HG11 ILE 27 -0.910 -9.902 4.499 212 1HG2 ILE 27 HG21 ILE 27 1.724 -12.073 3.119 213 2HG2 ILE 27 HG22 ILE 27 2.845 -10.776 2.704 214 3HG2 ILE 27 HG23 ILE 27 1.379 -11.014 1.752 215 1HD1 ILE 27 HD11 ILE 27 -1.644 -11.203 2.135 216 2HD1 ILE 27 HD12 ILE 27 -0.474 -9.966 1.674 217 3HD1 ILE 27 HD13 ILE 27 -1.922 -9.518 2.575 218 H LEU 28 HN LEU 28 2.360 -7.724 4.693 219 HA LEU 28 HA LEU 28 5.027 -8.043 3.892 220 1HB LEU 28 HB2 LEU 28 3.824 -5.625 5.238 221 2HB LEU 28 HB1 LEU 28 5.250 -5.657 4.218 222 HG LEU 28 HG LEU 28 2.587 -6.503 3.128 223 1HD1 LEU 28 HD11 LEU 28 2.347 -4.264 4.186 224 2HD1 LEU 28 HD12 LEU 28 2.118 -4.260 2.437 225 3HD1 LEU 28 HD13 LEU 28 3.632 -3.678 3.130 226 1HD2 LEU 28 HD21 LEU 28 3.719 -5.479 1.062 227 2HD2 LEU 28 HD22 LEU 28 4.310 -7.033 1.650 228 3HD2 LEU 28 HD23 LEU 28 5.203 -5.555 2.011 229 H ASP 29 HN ASP 29 3.715 -7.047 7.051 230 HA ASP 29 HA ASP 29 6.170 -6.885 8.391 231 1HB ASP 29 HB2 ASP 29 3.993 -5.979 9.230 232 2HB ASP 29 HB1 ASP 29 3.500 -7.628 9.604 233 H GLY 30 HN GLY 30 3.821 -9.560 8.229 234 1HA GLY 30 HA2 GLY 30 5.222 -11.380 9.823 235 2HA GLY 30 HA1 GLY 30 4.082 -11.817 8.557 236 H LYS 31 HN LYS 31 5.656 -10.486 6.473 237 HA LYS 31 HA LYS 31 7.403 -12.682 5.862 238 1HB LYS 31 HB2 LYS 31 6.310 -10.340 4.441 239 2HB LYS 31 HB1 LYS 31 7.903 -10.860 3.908 240 1HG LYS 31 HG2 LYS 31 7.114 -12.716 2.935 241 2HG LYS 31 HG1 LYS 31 5.958 -13.028 4.231 242 1HD LYS 31 HD2 LYS 31 4.292 -12.103 3.073 243 2HD LYS 31 HD1 LYS 31 5.245 -10.659 2.732 244 1HE LYS 31 HE2 LYS 31 6.027 -13.053 1.219 245 2HE LYS 31 HE1 LYS 31 4.414 -12.439 0.858 246 1HZ LYS 31 HZ1 LYS 31 5.253 -10.434 0.114 247 2HZ LYS 31 HZ2 LYS 31 6.407 -11.532 -0.455 248 3HZ LYS 31 HZ3 LYS 31 6.726 -10.612 0.928 249 H ARG 32 HN ARG 32 7.790 -9.893 7.659 250 HA ARG 32 HA ARG 32 9.589 -8.831 8.548 251 1HB ARG 32 HB2 ARG 32 11.050 -11.249 7.472 252 2HB ARG 32 HB1 ARG 32 11.763 -10.051 8.543 253 1HG ARG 32 HG2 ARG 32 10.593 -10.774 10.364 254 2HG ARG 32 HG1 ARG 32 9.248 -11.383 9.396 255 1HD ARG 32 HD2 ARG 32 10.172 -13.379 9.938 256 2HD ARG 32 HD1 ARG 32 11.172 -13.022 8.530 257 HE ARG 32 HE ARG 32 12.961 -12.968 9.930 258 1HH1 ARG 32 HH11 ARG 32 10.113 -12.203 11.798 259 2HH1 ARG 32 HH12 ARG 32 10.974 -12.093 13.297 260 1HH2 ARG 32 HH21 ARG 32 14.093 -12.824 11.901 261 2HH2 ARG 32 HH22 ARG 32 13.233 -12.445 13.355 262 H ILE 33 HN ILE 33 8.760 -7.871 6.131 263 HA ILE 33 HA ILE 33 11.055 -7.552 4.397 264 HB ILE 33 HB ILE 33 8.363 -6.205 4.190 265 1HG1 ILE 33 HG12 ILE 33 9.348 -8.787 2.955 266 2HG1 ILE 33 HG11 ILE 33 8.071 -8.626 4.156 267 1HG2 ILE 33 HG21 ILE 33 9.035 -6.056 1.769 268 2HG2 ILE 33 HG22 ILE 33 10.651 -6.557 2.266 269 3HG2 ILE 33 HG23 ILE 33 9.968 -5.050 2.878 270 1HD1 ILE 33 HD11 ILE 33 7.588 -7.020 1.788 271 2HD1 ILE 33 HD12 ILE 33 6.543 -8.180 2.608 272 3HD1 ILE 33 HD13 ILE 33 7.736 -8.741 1.437 273 H GLN 34 HN GLN 34 11.845 -5.469 3.780 274 HA GLN 34 HA GLN 34 11.978 -3.643 6.059 275 1HB GLN 34 HB2 GLN 34 14.105 -4.449 5.184 276 2HB GLN 34 HB1 GLN 34 13.691 -3.867 3.578 277 1HG GLN 34 HG2 GLN 34 14.786 -2.023 4.100 278 2HG GLN 34 HG1 GLN 34 13.433 -1.625 5.157 279 1HE2 GLN 34 HE21 GLN 34 13.611 -2.935 7.323 280 2HE2 GLN 34 HE22 GLN 34 15.144 -2.798 8.109 281 H TYR 35 HN TYR 35 9.609 -3.320 5.060 282 HA TYR 35 HA TYR 35 9.714 -1.156 3.080 283 1HB TYR 35 HB2 TYR 35 7.436 -1.604 2.586 284 2HB TYR 35 HB1 TYR 35 8.216 -3.176 2.718 285 HD1 TYR 35 HD1 TYR 35 5.531 -1.126 3.844 286 HD2 TYR 35 HD2 TYR 35 7.990 -4.410 4.971 287 HE1 TYR 35 HE1 TYR 35 3.853 -1.804 5.509 288 HE2 TYR 35 HE2 TYR 35 6.319 -5.097 6.638 289 HH TYR 35 HH TYR 35 4.288 -3.521 7.966 290 H GLN 36 HN GLN 36 8.032 0.586 3.403 291 HA GLN 36 HA GLN 36 7.940 1.370 6.243 292 1HB GLN 36 HB2 GLN 36 8.065 3.707 5.490 293 2HB GLN 36 HB1 GLN 36 9.473 2.788 4.977 294 1HG GLN 36 HG2 GLN 36 7.824 2.491 2.837 295 2HG GLN 36 HG1 GLN 36 7.402 4.110 3.391 296 1HE2 GLN 36 HE21 GLN 36 9.542 2.281 1.586 297 2HE2 GLN 36 HE22 GLN 36 10.772 3.471 1.350 298 H LEU 37 HN LEU 37 6.205 3.321 6.387 299 HA LEU 37 HA LEU 37 3.810 2.521 4.902 300 1HB LEU 37 HB2 LEU 37 3.955 1.495 7.224 301 2HB LEU 37 HB1 LEU 37 3.763 3.119 7.850 302 HG LEU 37 HG LEU 37 1.762 1.845 5.992 303 1HD1 LEU 37 HD11 LEU 37 2.259 0.759 8.365 304 2HD1 LEU 37 HD12 LEU 37 0.625 0.903 7.717 305 3HD1 LEU 37 HD13 LEU 37 1.213 2.077 8.895 306 1HD2 LEU 37 HD21 LEU 37 2.007 4.401 7.435 307 2HD2 LEU 37 HD22 LEU 37 0.422 3.632 7.501 308 3HD2 LEU 37 HD23 LEU 37 1.152 4.015 5.942 309 H VAL 38 HN VAL 38 3.755 4.333 3.675 310 HA VAL 38 HA VAL 38 4.106 6.945 4.836 311 HB VAL 38 HB VAL 38 3.262 7.702 2.515 312 1HG1 VAL 38 HG11 VAL 38 5.513 6.998 1.492 313 2HG1 VAL 38 HG12 VAL 38 5.823 6.245 3.057 314 3HG1 VAL 38 HG13 VAL 38 5.530 7.981 2.956 315 1HG2 VAL 38 HG21 VAL 38 3.297 6.130 0.742 316 2HG2 VAL 38 HG22 VAL 38 2.275 5.439 2.000 317 3HG2 VAL 38 HG23 VAL 38 3.925 4.858 1.789 318 H ASP 39 HN ASP 39 2.461 6.761 6.444 319 HA ASP 39 HA ASP 39 -0.302 6.583 5.653 320 1HB ASP 39 HB2 ASP 39 0.836 5.932 7.931 321 2HB ASP 39 HB1 ASP 39 0.559 7.625 8.327 322 H ILE 40 HN ILE 40 -1.492 8.178 4.891 323 HA ILE 40 HA ILE 40 -0.499 10.871 4.817 324 HB ILE 40 HB ILE 40 -2.547 11.388 3.568 325 1HG1 ILE 40 HG12 ILE 40 -3.270 8.477 3.958 326 2HG1 ILE 40 HG11 ILE 40 -4.017 9.805 4.842 327 1HG2 ILE 40 HG21 ILE 40 -1.479 10.659 1.765 328 2HG2 ILE 40 HG22 ILE 40 -1.958 8.997 2.106 329 3HG2 ILE 40 HG23 ILE 40 -0.475 9.647 2.803 330 1HD1 ILE 40 HD11 ILE 40 -4.646 8.769 2.257 331 2HD1 ILE 40 HD12 ILE 40 -4.201 10.471 2.127 332 3HD1 ILE 40 HD13 ILE 40 -5.499 9.979 3.216 333 H SER 41 HN SER 41 -2.358 9.114 7.038 334 HA SER 41 HA SER 41 -4.152 11.096 7.934 335 1HB SER 41 HB2 SER 41 -4.020 8.535 8.476 336 2HB SER 41 HB1 SER 41 -2.991 9.063 9.807 337 HG SER 41 HG SER 41 -4.790 10.555 10.302 338 H GLN 42 HN GLN 42 -0.761 10.628 8.421 339 HA GLN 42 HA GLN 42 -0.386 11.986 10.837 340 1HB GLN 42 HB2 GLN 42 1.334 10.632 9.624 341 2HB GLN 42 HB1 GLN 42 1.502 11.954 8.478 342 1HG GLN 42 HG2 GLN 42 1.915 13.328 10.708 343 2HG GLN 42 HG1 GLN 42 2.422 11.740 11.284 344 1HE2 GLN 42 HE21 GLN 42 4.567 12.275 11.465 345 2HE2 GLN 42 HE22 GLN 42 5.584 12.571 10.100 346 H ASP 43 HN ASP 43 0.319 13.305 7.596 347 HA ASP 43 HA ASP 43 -0.411 15.963 8.635 348 1HB ASP 43 HB2 ASP 43 2.002 15.262 7.653 349 2HB ASP 43 HB1 ASP 43 1.213 15.771 6.164 350 H ASN 44 HN ASN 44 -0.759 17.442 6.476 351 HA ASN 44 HA ASN 44 -3.078 16.207 5.179 352 1HB ASN 44 HB2 ASN 44 -2.289 19.024 5.802 353 2HB ASN 44 HB1 ASN 44 -3.397 18.723 4.467 354 1HD2 ASN 44 HD21 ASN 44 -4.023 20.156 6.809 355 2HD2 ASN 44 HD22 ASN 44 -5.258 19.290 7.650 356 H ALA 45 HN ALA 45 0.121 17.265 4.536 357 HA ALA 45 HA ALA 45 -0.172 17.855 1.770 358 1HB ALA 45 HB1 ALA 45 2.431 16.851 2.754 359 2HB ALA 45 HB2 ALA 45 1.792 18.302 3.527 360 3HB ALA 45 HB3 ALA 45 2.055 18.275 1.783 361 H LEU 46 HN LEU 46 0.396 14.918 3.590 362 HA LEU 46 HA LEU 46 1.220 13.303 1.416 363 1HB LEU 46 HB2 LEU 46 -0.002 12.670 4.093 364 2HB LEU 46 HB1 LEU 46 0.418 11.417 2.941 365 HG LEU 46 HG LEU 46 2.130 11.772 4.703 366 1HD1 LEU 46 HD11 LEU 46 4.011 12.273 2.878 367 2HD1 LEU 46 HD12 LEU 46 2.650 11.964 1.800 368 3HD1 LEU 46 HD13 LEU 46 3.147 10.738 2.966 369 1HD2 LEU 46 HD21 LEU 46 3.492 13.745 4.710 370 2HD2 LEU 46 HD22 LEU 46 1.805 14.231 4.874 371 3HD2 LEU 46 HD23 LEU 46 2.625 14.404 3.323 372 H ARG 47 HN ARG 47 -1.918 14.053 2.832 373 HA ARG 47 HA ARG 47 -3.450 12.216 1.352 374 1HB ARG 47 HB2 ARG 47 -4.258 14.902 2.482 375 2HB ARG 47 HB1 ARG 47 -5.370 13.658 1.927 376 1HG ARG 47 HG2 ARG 47 -4.842 12.231 3.705 377 2HG ARG 47 HG1 ARG 47 -3.373 13.126 4.099 378 1HD ARG 47 HD2 ARG 47 -5.329 13.477 5.655 379 2HD ARG 47 HD1 ARG 47 -4.603 14.939 4.988 380 HE ARG 47 HE ARG 47 -6.565 15.376 3.892 381 1HH1 ARG 47 HH11 ARG 47 -6.598 12.066 4.997 382 2HH1 ARG 47 HH12 ARG 47 -8.260 11.812 4.582 383 1HH2 ARG 47 HH21 ARG 47 -8.751 15.045 3.346 384 2HH2 ARG 47 HH22 ARG 47 -9.483 13.504 3.645 385 H ASP 48 HN ASP 48 -2.538 15.583 0.718 386 HA ASP 48 HA ASP 48 -3.888 15.548 -1.833 387 1HB ASP 48 HB2 ASP 48 -2.549 17.608 -0.175 388 2HB ASP 48 HB1 ASP 48 -2.565 17.876 -1.916 389 H GLU 49 HN GLU 49 -1.142 14.278 -0.820 390 HA GLU 49 HA GLU 49 0.418 14.913 -3.219 391 1HB GLU 49 HB2 GLU 49 1.091 13.868 -0.512 392 2HB GLU 49 HB1 GLU 49 2.095 13.346 -1.858 393 1HG GLU 49 HG2 GLU 49 1.600 16.224 -1.799 394 2HG GLU 49 HG1 GLU 49 2.465 15.612 -0.391 395 H MET 50 HN MET 50 -1.292 12.355 -1.597 396 HA MET 50 HA MET 50 -0.336 10.305 -3.410 397 1HB MET 50 HB2 MET 50 -1.128 10.158 -0.856 398 2HB MET 50 HB1 MET 50 -2.669 9.820 -1.633 399 1HG MET 50 HG2 MET 50 -0.127 8.317 -2.199 400 2HG MET 50 HG1 MET 50 -1.348 7.805 -1.035 401 1HE MET 50 HE1 MET 50 -0.021 6.366 -3.310 402 2HE MET 50 HE2 MET 50 -0.392 7.083 -4.878 403 3HE MET 50 HE3 MET 50 -1.213 5.608 -4.367 404 H ARG 51 HN ARG 51 -3.424 11.912 -2.683 405 HA ARG 51 HA ARG 51 -4.965 10.635 -4.636 406 1HB ARG 51 HB2 ARG 51 -5.189 13.177 -3.099 407 2HB ARG 51 HB1 ARG 51 -6.239 12.968 -4.493 408 1HG ARG 51 HG2 ARG 51 -7.498 12.205 -2.686 409 2HG ARG 51 HG1 ARG 51 -6.894 10.734 -3.453 410 1HD ARG 51 HD2 ARG 51 -5.018 10.749 -1.793 411 2HD ARG 51 HD1 ARG 51 -5.837 12.076 -0.970 412 HE ARG 51 HE ARG 51 -6.508 9.303 -0.847 413 1HH1 ARG 51 HH11 ARG 51 -7.838 12.525 -0.683 414 2HH1 ARG 51 HH12 ARG 51 -9.196 12.051 0.280 415 1HH2 ARG 51 HH21 ARG 51 -8.294 8.677 0.421 416 2HH2 ARG 51 HH22 ARG 51 -9.455 9.866 0.907 417 H ALA 52 HN ALA 52 -2.730 13.305 -4.850 418 HA ALA 52 HA ALA 52 -3.566 14.125 -7.476 419 1HB ALA 52 HB1 ALA 52 -2.538 15.682 -5.848 420 2HB ALA 52 HB2 ALA 52 -1.704 15.652 -7.402 421 3HB ALA 52 HB3 ALA 52 -1.017 14.805 -6.016 422 H LEU 53 HN LEU 53 -0.564 12.645 -6.230 423 HA LEU 53 HA LEU 53 0.543 12.057 -8.734 424 1HB LEU 53 HB2 LEU 53 0.948 10.726 -6.057 425 2HB LEU 53 HB1 LEU 53 1.928 10.393 -7.473 426 HG LEU 53 HG LEU 53 1.681 13.143 -6.265 427 1HD1 LEU 53 HD11 LEU 53 2.619 11.721 -4.572 428 2HD1 LEU 53 HD12 LEU 53 3.909 12.696 -5.278 429 3HD1 LEU 53 HD13 LEU 53 3.733 11.002 -5.735 430 1HD2 LEU 53 HD21 LEU 53 3.192 11.919 -8.494 431 2HD2 LEU 53 HD22 LEU 53 4.051 13.092 -7.495 432 3HD2 LEU 53 HD23 LEU 53 2.559 13.555 -8.313 433 H ALA 54 HN ALA 54 -1.831 10.383 -6.813 434 HA ALA 54 HA ALA 54 -1.659 7.919 -8.287 435 1HB ALA 54 HB1 ALA 54 -3.414 7.137 -6.912 436 2HB ALA 54 HB2 ALA 54 -3.913 8.775 -6.491 437 3HB ALA 54 HB3 ALA 54 -2.387 8.134 -5.881 438 H GLY 55 HN GLY 55 -3.022 10.929 -8.944 439 1HA GLY 55 HA2 GLY 55 -4.430 11.663 -10.601 440 2HA GLY 55 HA1 GLY 55 -4.165 10.107 -11.374 441 H ASN 56 HN ASN 56 -5.687 10.900 -8.268 442 HA ASN 56 HA ASN 56 -8.347 10.680 -9.037 443 1HB ASN 56 HB2 ASN 56 -8.702 8.329 -7.923 444 2HB ASN 56 HB1 ASN 56 -8.254 8.435 -9.621 445 1HD2 ASN 56 HD21 ASN 56 -6.630 8.415 -6.462 446 2HD2 ASN 56 HD22 ASN 56 -5.405 7.283 -6.912 447 HA PRO 57 HA PRO 57 -8.133 12.041 -4.838 448 1HB PRO 57 HB2 PRO 57 -10.417 13.628 -5.309 449 2HB PRO 57 HB1 PRO 57 -8.739 14.149 -5.335 450 1HG PRO 57 HG2 PRO 57 -10.461 14.091 -7.514 451 2HG PRO 57 HG1 PRO 57 -8.693 14.188 -7.595 452 1HD PRO 57 HD2 PRO 57 -10.481 11.819 -7.899 453 2HD PRO 57 HD1 PRO 57 -8.973 12.223 -8.750 454 H LYS 58 HN LYS 58 -9.696 9.629 -5.838 455 HA LYS 58 HA LYS 58 -11.721 9.652 -3.706 456 1HB LYS 58 HB2 LYS 58 -11.950 8.657 -6.528 457 2HB LYS 58 HB1 LYS 58 -12.933 7.950 -5.253 458 1HG LYS 58 HG2 LYS 58 -14.390 9.547 -5.850 459 2HG LYS 58 HG1 LYS 58 -13.391 10.568 -4.813 460 1HD LYS 58 HD2 LYS 58 -12.540 11.724 -6.555 461 2HD LYS 58 HD1 LYS 58 -12.458 10.298 -7.592 462 1HE LYS 58 HE2 LYS 58 -14.877 10.436 -7.959 463 2HE LYS 58 HE1 LYS 58 -14.949 11.867 -6.932 464 1HZ LYS 58 HZ1 LYS 58 -13.487 13.004 -8.498 465 2HZ LYS 58 HZ2 LYS 58 -14.903 12.478 -9.258 466 3HZ LYS 58 HZ3 LYS 58 -13.456 11.633 -9.490 467 H ALA 59 HN ALA 59 -8.856 8.396 -4.641 468 HA ALA 59 HA ALA 59 -9.074 5.634 -4.343 469 1HB ALA 59 HB1 ALA 59 -6.700 7.199 -3.382 470 2HB ALA 59 HB2 ALA 59 -7.066 7.018 -5.097 471 3HB ALA 59 HB3 ALA 59 -6.743 5.593 -4.109 472 H THR 60 HN THR 60 -7.384 4.877 -2.303 473 HA THR 60 HA THR 60 -8.670 5.778 0.172 474 HB THR 60 HB THR 60 -8.752 3.323 0.869 475 HG1 THR 60 HG1 THR 60 -7.450 2.696 -1.034 476 1HG2 THR 60 HG21 THR 60 -10.648 4.852 -0.436 477 2HG2 THR 60 HG22 THR 60 -10.922 3.345 0.439 478 3HG2 THR 60 HG23 THR 60 -10.649 3.317 -1.304 479 HA PRO 61 HA PRO 61 -4.802 5.778 2.250 480 1HB PRO 61 HB2 PRO 61 -5.770 3.501 3.926 481 2HB PRO 61 HB1 PRO 61 -5.012 5.019 4.417 482 1HG PRO 61 HG2 PRO 61 -7.649 4.658 4.647 483 2HG PRO 61 HG1 PRO 61 -6.967 6.229 4.193 484 1HD PRO 61 HD2 PRO 61 -8.407 4.241 2.530 485 2HD PRO 61 HD1 PRO 61 -8.299 6.003 2.348 486 HA PRO 62 HA PRO 62 -3.379 1.171 1.634 487 1HB PRO 62 HB2 PRO 62 -5.561 -0.027 0.070 488 2HB PRO 62 HB1 PRO 62 -4.729 -0.654 1.495 489 1HG PRO 62 HG2 PRO 62 -7.269 0.212 1.605 490 2HG PRO 62 HG1 PRO 62 -6.145 0.423 2.961 491 1HD PRO 62 HD2 PRO 62 -7.016 2.411 0.894 492 2HD PRO 62 HD1 PRO 62 -6.800 2.630 2.642 493 H GLN 63 HN GLN 63 -2.018 2.327 0.225 494 HA GLN 63 HA GLN 63 -2.482 1.732 -2.594 495 1HB GLN 63 HB2 GLN 63 -1.920 4.497 -1.520 496 2HB GLN 63 HB1 GLN 63 -1.736 4.055 -3.212 497 1HG GLN 63 HG2 GLN 63 -4.325 3.656 -1.759 498 2HG GLN 63 HG1 GLN 63 -3.902 5.200 -2.497 499 1HE2 GLN 63 HE21 GLN 63 -6.104 3.559 -3.206 500 2HE2 GLN 63 HE22 GLN 63 -5.880 3.058 -4.844 501 H ILE 64 HN ILE 64 -0.765 0.606 -3.195 502 HA ILE 64 HA ILE 64 1.764 0.868 -1.832 503 HB ILE 64 HB ILE 64 1.141 -0.797 -4.272 504 1HG1 ILE 64 HG12 ILE 64 1.130 -2.597 -2.294 505 2HG1 ILE 64 HG11 ILE 64 0.555 -1.204 -1.382 506 1HG2 ILE 64 HG21 ILE 64 3.414 -0.880 -4.148 507 2HG2 ILE 64 HG22 ILE 64 3.022 -2.177 -3.018 508 3HG2 ILE 64 HG23 ILE 64 3.443 -0.575 -2.411 509 1HD1 ILE 64 HD11 ILE 64 -1.443 -1.187 -2.417 510 2HD1 ILE 64 HD12 ILE 64 -1.058 -2.888 -2.684 511 3HD1 ILE 64 HD13 ILE 64 -0.773 -1.707 -3.963 512 H VAL 65 HN VAL 65 3.603 1.799 -2.573 513 HA VAL 65 HA VAL 65 3.690 2.822 -5.310 514 HB VAL 65 HB VAL 65 4.197 4.572 -2.900 515 1HG1 VAL 65 HG11 VAL 65 3.983 5.976 -5.392 516 2HG1 VAL 65 HG12 VAL 65 5.240 4.743 -5.500 517 3HG1 VAL 65 HG13 VAL 65 5.308 5.961 -4.227 518 1HG2 VAL 65 HG21 VAL 65 2.262 5.878 -3.811 519 2HG2 VAL 65 HG22 VAL 65 1.843 4.296 -3.153 520 3HG2 VAL 65 HG23 VAL 65 1.945 4.526 -4.899 521 H ASN 66 HN ASN 66 5.702 2.839 -6.188 522 HA ASN 66 HA ASN 66 7.850 1.727 -4.537 523 1HB ASN 66 HB2 ASN 66 7.004 0.892 -6.936 524 2HB ASN 66 HB1 ASN 66 8.192 2.077 -7.472 525 1HD2 ASN 66 HD21 ASN 66 7.670 -0.984 -5.997 526 2HD2 ASN 66 HD22 ASN 66 9.327 -1.466 -5.904 527 H GLY 67 HN GLY 67 7.828 4.047 -3.614 528 1HA GLY 67 HA2 GLY 67 9.540 5.663 -3.292 529 2HA GLY 67 HA1 GLY 67 9.971 5.505 -4.988 530 H ASP 68 HN ASP 68 8.019 6.118 -6.485 531 HA ASP 68 HA ASP 68 6.312 8.202 -5.490 532 1HB ASP 68 HB2 ASP 68 7.264 9.948 -7.040 533 2HB ASP 68 HB1 ASP 68 8.279 9.552 -5.657 534 H GLN 69 HN GLN 69 6.171 5.662 -6.997 535 HA GLN 69 HA GLN 69 4.790 6.681 -9.382 536 1HB GLN 69 HB2 GLN 69 5.354 4.147 -10.108 537 2HB GLN 69 HB1 GLN 69 6.375 5.518 -10.506 538 1HG GLN 69 HG2 GLN 69 6.856 4.096 -7.943 539 2HG GLN 69 HG1 GLN 69 7.349 3.317 -9.445 540 1HE2 GLN 69 HE21 GLN 69 8.742 4.584 -10.882 541 2HE2 GLN 69 HE22 GLN 69 9.899 5.655 -10.177 542 H TYR 70 HN TYR 70 2.878 5.592 -9.988 543 HA TYR 70 HA TYR 70 1.418 4.514 -7.751 544 1HB TYR 70 HB2 TYR 70 0.568 6.067 -9.676 545 2HB TYR 70 HB1 TYR 70 0.363 4.558 -10.557 546 HD1 TYR 70 HD1 TYR 70 -1.896 4.076 -10.661 547 HD2 TYR 70 HD2 TYR 70 -0.261 5.462 -6.986 548 HE1 TYR 70 HE1 TYR 70 -4.073 3.733 -9.571 549 HE2 TYR 70 HE2 TYR 70 -2.433 5.122 -5.885 550 HH TYR 70 HH TYR 70 -5.306 4.474 -7.646 551 H CYS 71 HN CYS 71 2.252 2.524 -7.244 552 HA CYS 71 HA CYS 71 2.683 0.513 -9.257 553 1HB CYS 71 HB2 CYS 71 3.778 0.904 -6.834 554 2HB CYS 71 HB1 CYS 71 2.533 -0.260 -6.396 555 HG CYS 71 HG CYS 71 5.055 -0.856 -8.013 556 H GLY 72 HN GLY 72 0.380 0.921 -6.560 557 1HA GLY 72 HA2 GLY 72 -1.833 -0.046 -7.957 558 2HA GLY 72 HA1 GLY 72 -1.107 -1.416 -7.132 559 H ASP 73 HN ASP 73 -2.695 -1.799 -5.659 560 HA ASP 73 HA ASP 73 -2.783 -0.062 -3.376 561 1HB ASP 73 HB2 ASP 73 -5.177 0.369 -3.396 562 2HB ASP 73 HB1 ASP 73 -4.449 1.004 -4.866 563 H TYR 74 HN TYR 74 -5.046 -1.056 -2.124 564 HA TYR 74 HA TYR 74 -4.158 -3.423 -1.005 565 1HB TYR 74 HB2 TYR 74 -5.784 -2.002 0.104 566 2HB TYR 74 HB1 TYR 74 -6.977 -2.337 -1.146 567 HD1 TYR 74 HD1 TYR 74 -5.190 -3.721 1.754 568 HD2 TYR 74 HD2 TYR 74 -8.223 -4.396 -1.151 569 HE1 TYR 74 HE1 TYR 74 -6.007 -5.637 3.061 570 HE2 TYR 74 HE2 TYR 74 -9.050 -6.314 0.148 571 HH TYR 74 HH TYR 74 -8.956 -7.018 2.653 572 H GLU 75 HN GLU 75 -6.801 -3.042 -3.377 573 HA GLU 75 HA GLU 75 -7.504 -5.668 -3.703 574 1HB GLU 75 HB2 GLU 75 -8.219 -3.309 -4.838 575 2HB GLU 75 HB1 GLU 75 -7.408 -4.091 -6.185 576 1HG GLU 75 HG2 GLU 75 -9.169 -5.935 -4.876 577 2HG GLU 75 HG1 GLU 75 -10.032 -4.461 -5.312 578 H LEU 76 HN LEU 76 -5.163 -3.909 -5.750 579 HA LEU 76 HA LEU 76 -4.355 -6.049 -7.316 580 1HB LEU 76 HB2 LEU 76 -2.775 -3.655 -6.385 581 2HB LEU 76 HB1 LEU 76 -2.228 -4.766 -7.626 582 HG LEU 76 HG LEU 76 -4.595 -4.113 -8.688 583 1HD1 LEU 76 HD11 LEU 76 -4.089 -1.387 -8.004 584 2HD1 LEU 76 HD12 LEU 76 -4.361 -2.315 -6.529 585 3HD1 LEU 76 HD13 LEU 76 -5.569 -2.325 -7.813 586 1HD2 LEU 76 HD21 LEU 76 -2.023 -3.740 -9.349 587 2HD2 LEU 76 HD22 LEU 76 -2.512 -2.063 -9.110 588 3HD2 LEU 76 HD23 LEU 76 -3.367 -3.073 -10.276 589 H PHE 77 HN PHE 77 -2.458 -4.726 -4.603 590 HA PHE 77 HA PHE 77 -0.571 -6.686 -4.375 591 1HB PHE 77 HB2 PHE 77 -0.363 -4.726 -3.045 592 2HB PHE 77 HB1 PHE 77 -1.904 -5.015 -2.247 593 HD1 PHE 77 HD1 PHE 77 1.642 -5.620 -2.198 594 HD2 PHE 77 HD2 PHE 77 -2.096 -6.924 -0.633 595 HE1 PHE 77 HE1 PHE 77 2.814 -6.774 -0.370 596 HE2 PHE 77 HE2 PHE 77 -0.929 -8.079 1.199 597 HZ PHE 77 HZ PHE 77 1.529 -8.005 1.332 598 H VAL 78 HN VAL 78 -3.687 -6.630 -2.635 599 HA VAL 78 HA VAL 78 -3.362 -9.153 -1.415 600 HB VAL 78 HB VAL 78 -5.962 -7.757 -2.068 601 1HG1 VAL 78 HG11 VAL 78 -6.750 -9.744 -1.336 602 2HG1 VAL 78 HG12 VAL 78 -6.394 -9.059 0.250 603 3HG1 VAL 78 HG13 VAL 78 -5.246 -10.160 -0.513 604 1HG2 VAL 78 HG21 VAL 78 -4.669 -7.607 0.610 605 2HG2 VAL 78 HG22 VAL 78 -5.758 -6.470 -0.184 606 3HG2 VAL 78 HG23 VAL 78 -4.068 -6.563 -0.678 607 H GLU 79 HN GLU 79 -4.698 -8.168 -4.511 608 HA GLU 79 HA GLU 79 -5.868 -10.699 -5.121 609 1HB GLU 79 HB2 GLU 79 -6.623 -8.582 -6.150 610 2HB GLU 79 HB1 GLU 79 -5.087 -8.467 -7.000 611 1HG GLU 79 HG2 GLU 79 -6.161 -11.026 -7.538 612 2HG GLU 79 HG1 GLU 79 -7.454 -9.846 -7.759 613 H ALA 80 HN ALA 80 -2.672 -9.735 -4.943 614 HA ALA 80 HA ALA 80 -1.775 -11.473 -7.111 615 1HB ALA 80 HB1 ALA 80 0.372 -10.508 -6.838 616 2HB ALA 80 HB2 ALA 80 -0.055 -9.837 -5.264 617 3HB ALA 80 HB3 ALA 80 -0.792 -9.188 -6.728 618 H VAL 81 HN VAL 81 -1.063 -11.054 -3.631 619 HA VAL 81 HA VAL 81 0.455 -13.335 -3.244 620 HB VAL 81 HB VAL 81 -1.535 -12.289 -1.230 621 1HG1 VAL 81 HG11 VAL 81 0.935 -13.966 -1.091 622 2HG1 VAL 81 HG12 VAL 81 -0.635 -14.214 -0.327 623 3HG1 VAL 81 HG13 VAL 81 0.459 -12.975 0.288 624 1HG2 VAL 81 HG21 VAL 81 1.149 -11.265 -0.926 625 2HG2 VAL 81 HG22 VAL 81 -0.385 -10.399 -0.986 626 3HG2 VAL 81 HG23 VAL 81 0.459 -10.798 -2.480 627 H GLU 82 HN GLU 82 -2.992 -13.000 -3.540 628 HA GLU 82 HA GLU 82 -3.870 -15.411 -2.461 629 1HB GLU 82 HB2 GLU 82 -5.770 -15.109 -4.186 630 2HB GLU 82 HB1 GLU 82 -5.549 -13.878 -2.949 631 1HG GLU 82 HG2 GLU 82 -5.250 -12.315 -4.477 632 2HG GLU 82 HG1 GLU 82 -3.957 -13.236 -5.244 633 H GLN 83 HN GLN 83 -2.937 -14.688 -5.825 634 HA GLN 83 HA GLN 83 -3.094 -17.547 -6.444 635 1HB GLN 83 HB2 GLN 83 -3.938 -15.362 -7.861 636 2HB GLN 83 HB1 GLN 83 -2.380 -15.687 -8.606 637 1HG GLN 83 HG2 GLN 83 -3.225 -18.125 -8.751 638 2HG GLN 83 HG1 GLN 83 -4.817 -17.411 -8.501 639 1HE2 GLN 83 HE21 GLN 83 -5.495 -15.753 -10.018 640 2HE2 GLN 83 HE22 GLN 83 -4.952 -15.837 -11.656 641 H ASN 84 HN ASN 84 -0.892 -15.705 -5.102 642 HA ASN 84 HA ASN 84 1.328 -15.964 -4.772 643 1HB ASN 84 HB2 ASN 84 0.657 -18.373 -6.021 644 2HB ASN 84 HB1 ASN 84 2.014 -17.754 -6.956 645 1HD2 ASN 84 HD21 ASN 84 0.986 -19.144 -4.003 646 2HD2 ASN 84 HD22 ASN 84 2.540 -19.265 -3.258 647 H THR 85 HN THR 85 -0.062 -14.268 -6.835 648 HA THR 85 HA THR 85 1.983 -13.852 -8.830 649 HB THR 85 HB THR 85 0.181 -11.719 -8.964 650 HG1 THR 85 HG1 THR 85 -1.216 -14.127 -8.446 651 1HG2 THR 85 HG21 THR 85 -0.339 -12.503 -11.021 652 2HG2 THR 85 HG22 THR 85 -0.464 -14.176 -10.478 653 3HG2 THR 85 HG23 THR 85 1.122 -13.447 -10.731 654 H LEU 86 HN LEU 86 1.287 -12.781 -5.688 655 HA LEU 86 HA LEU 86 1.851 -10.248 -5.288 656 1HB LEU 86 HB2 LEU 86 1.748 -11.845 -3.478 657 2HB LEU 86 HB1 LEU 86 3.295 -12.525 -3.945 658 HG LEU 86 HG LEU 86 4.422 -10.461 -3.340 659 1HD1 LEU 86 HD11 LEU 86 3.192 -8.601 -3.545 660 2HD1 LEU 86 HD12 LEU 86 2.688 -8.945 -1.890 661 3HD1 LEU 86 HD13 LEU 86 1.677 -9.451 -3.244 662 1HD2 LEU 86 HD21 LEU 86 4.573 -11.592 -1.417 663 2HD2 LEU 86 HD22 LEU 86 2.879 -12.079 -1.467 664 3HD2 LEU 86 HD23 LEU 86 3.324 -10.498 -0.825 665 H GLN 87 HN GLN 87 4.403 -12.545 -6.249 666 HA GLN 87 HA GLN 87 6.561 -10.785 -6.138 667 1HB GLN 87 HB2 GLN 87 7.064 -13.075 -6.459 668 2HB GLN 87 HB1 GLN 87 6.032 -13.185 -7.879 669 1HG GLN 87 HG2 GLN 87 7.559 -11.938 -9.197 670 2HG GLN 87 HG1 GLN 87 8.504 -11.479 -7.782 671 1HE2 GLN 87 HE21 GLN 87 9.211 -13.531 -6.483 672 2HE2 GLN 87 HE22 GLN 87 9.960 -14.760 -7.438 673 H GLU 88 HN GLU 88 4.576 -11.635 -8.976 674 HA GLU 88 HA GLU 88 5.645 -10.046 -10.897 675 1HB GLU 88 HB2 GLU 88 3.418 -11.540 -10.763 676 2HB GLU 88 HB1 GLU 88 2.685 -9.943 -10.712 677 1HG GLU 88 HG2 GLU 88 4.722 -10.228 -12.780 678 2HG GLU 88 HG1 GLU 88 3.352 -11.321 -12.972 679 H PHE 89 HN PHE 89 3.842 -9.011 -8.112 680 HA PHE 89 HA PHE 89 3.779 -6.258 -9.091 681 1HB PHE 89 HB2 PHE 89 1.685 -7.204 -8.176 682 2HB PHE 89 HB1 PHE 89 2.493 -7.477 -6.638 683 HD1 PHE 89 HD1 PHE 89 0.496 -5.267 -8.497 684 HD2 PHE 89 HD2 PHE 89 3.544 -5.357 -5.530 685 HE1 PHE 89 HE1 PHE 89 -0.158 -3.014 -7.763 686 HE2 PHE 89 HE2 PHE 89 2.897 -3.101 -4.791 687 HZ PHE 89 HZ PHE 89 1.043 -1.926 -5.909 688 H LEU 90 HN LEU 90 5.298 -8.315 -6.739 689 HA LEU 90 HA LEU 90 6.426 -6.090 -5.260 690 1HB LEU 90 HB2 LEU 90 6.317 -9.029 -4.957 691 2HB LEU 90 HB1 LEU 90 7.749 -8.246 -4.315 692 HG LEU 90 HG LEU 90 4.904 -7.587 -3.548 693 1HD1 LEU 90 HD11 LEU 90 5.096 -8.948 -1.763 694 2HD1 LEU 90 HD12 LEU 90 6.823 -8.643 -1.578 695 3HD1 LEU 90 HD13 LEU 90 6.255 -9.787 -2.794 696 1HD2 LEU 90 HD21 LEU 90 6.346 -6.445 -1.644 697 2HD2 LEU 90 HD22 LEU 90 5.941 -5.600 -3.138 698 3HD2 LEU 90 HD23 LEU 90 7.530 -6.341 -2.946 699 H LYS 91 HN LYS 91 8.011 -8.964 -6.649 700 HA LYS 91 HA LYS 91 10.364 -7.344 -7.215 701 1HB LYS 91 HB2 LYS 91 10.064 -10.307 -7.670 702 2HB LYS 91 HB1 LYS 91 11.550 -9.386 -7.491 703 1HG LYS 91 HG2 LYS 91 9.802 -9.139 -5.183 704 2HG LYS 91 HG1 LYS 91 10.264 -10.808 -5.518 705 1HD LYS 91 HD2 LYS 91 12.642 -9.538 -5.829 706 2HD LYS 91 HD1 LYS 91 11.889 -8.543 -4.580 707 1HE LYS 91 HE2 LYS 91 11.323 -10.952 -3.586 708 2HE LYS 91 HE1 LYS 91 12.779 -11.369 -4.488 709 1HZ LYS 91 HZ1 LYS 91 13.875 -9.471 -3.308 710 2HZ LYS 91 HZ2 LYS 91 13.452 -10.775 -2.319 711 3HZ LYS 91 HZ3 LYS 91 12.509 -9.371 -2.315 712 H LEU 92 HN LEU 92 7.666 -8.666 -8.876 713 HA LEU 92 HA LEU 92 7.041 -8.668 -11.056 714 1HB LEU 92 HB2 LEU 92 9.220 -6.595 -11.154 715 2HB LEU 92 HB1 LEU 92 8.228 -6.991 -12.544 716 HG LEU 92 HG LEU 92 6.275 -6.122 -11.542 717 1HD1 LEU 92 HD11 LEU 92 6.155 -5.395 -9.210 718 2HD1 LEU 92 HD12 LEU 92 7.806 -5.957 -8.949 719 3HD1 LEU 92 HD13 LEU 92 6.532 -7.115 -9.330 720 1HD2 LEU 92 HD21 LEU 92 8.244 -4.161 -10.472 721 2HD2 LEU 92 HD22 LEU 92 6.785 -3.890 -11.425 722 3HD2 LEU 92 HD23 LEU 92 8.239 -4.518 -12.199 723 H ALA 93 HN ALA 93 10.468 -8.059 -11.668 724 HA ALA 93 HA ALA 93 10.780 -10.798 -12.658 725 1HB ALA 93 HB1 ALA 93 11.026 -8.300 -14.268 726 2HB ALA 93 HB2 ALA 93 10.325 -9.858 -14.705 727 3HB ALA 93 HB3 ALA 93 12.077 -9.668 -14.632 728 H LEU 94 HN LEU 94 11.797 -10.011 -10.292 729 HA LEU 94 HA LEU 94 13.724 -10.071 -9.085 730 1HB LEU 94 HB2 LEU 94 14.339 -11.494 -11.308 731 2HB LEU 94 HB1 LEU 94 15.527 -10.210 -11.418 732 HG LEU 94 HG LEU 94 15.201 -11.780 -8.881 733 1HD1 LEU 94 HD11 LEU 94 16.474 -13.522 -9.600 734 2HD1 LEU 94 HD12 LEU 94 17.292 -12.563 -10.833 735 3HD1 LEU 94 HD13 LEU 94 15.649 -13.140 -11.111 736 1HD2 LEU 94 HD21 LEU 94 16.594 -10.030 -8.416 737 2HD2 LEU 94 HD22 LEU 94 17.197 -9.925 -10.071 738 3HD2 LEU 94 HD23 LEU 94 17.773 -11.204 -9.003 739 H GLU 95 HN GLU 95 14.789 -8.498 -12.105 740 HA GLU 95 HA GLU 95 15.600 -6.176 -10.490 741 1HB GLU 95 HB2 GLU 95 17.042 -5.655 -12.533 742 2HB GLU 95 HB1 GLU 95 17.520 -7.030 -11.548 743 1HG GLU 95 HG2 GLU 95 16.887 -8.567 -13.141 744 2HG GLU 95 HG1 GLU 95 15.760 -7.454 -13.917 Start of MODEL 13 1 1H MET 1 HT1 MET 1 16.718 -2.993 -4.325 2 2H MET 1 HT2 MET 1 17.422 -1.869 -3.235 3 3H MET 1 HT3 MET 1 18.388 -3.094 -3.952 4 HA MET 1 HA MET 1 18.908 -1.223 -5.125 5 1HB MET 1 HB2 MET 1 16.724 -2.757 -6.546 6 2HB MET 1 HB1 MET 1 17.822 -1.645 -7.350 7 1HG MET 1 HG2 MET 1 19.045 -3.783 -5.718 8 2HG MET 1 HG1 MET 1 18.247 -4.269 -7.213 9 1HE MET 1 HE1 MET 1 20.713 -1.248 -6.049 10 2HE MET 1 HE2 MET 1 22.162 -2.000 -6.718 11 3HE MET 1 HE3 MET 1 21.214 -2.846 -5.495 12 H SER 2 HN SER 2 15.378 -1.481 -5.588 13 HA SER 2 HA SER 2 15.228 1.441 -5.647 14 1HB SER 2 HB2 SER 2 13.067 1.172 -6.680 15 2HB SER 2 HB1 SER 2 14.195 0.087 -7.492 16 HG SER 2 HG SER 2 13.367 -1.547 -5.955 17 H GLY 3 HN GLY 3 13.105 2.336 -4.684 18 1HA GLY 3 HA2 GLY 3 12.996 1.390 -1.914 19 2HA GLY 3 HA1 GLY 3 12.451 2.957 -2.493 20 H LEU 4 HN LEU 4 10.721 1.955 -0.887 21 HA LEU 4 HA LEU 4 8.459 1.322 -2.543 22 1HB LEU 4 HB2 LEU 4 9.822 -0.761 -0.974 23 2HB LEU 4 HB1 LEU 4 8.091 -0.670 -0.713 24 HG LEU 4 HG LEU 4 9.374 -0.966 -3.428 25 1HD1 LEU 4 HD11 LEU 4 8.595 -3.303 -3.302 26 2HD1 LEU 4 HD12 LEU 4 8.163 -3.044 -1.612 27 3HD1 LEU 4 HD13 LEU 4 9.849 -2.934 -2.118 28 1HD2 LEU 4 HD21 LEU 4 6.541 -1.619 -2.752 29 2HD2 LEU 4 HD22 LEU 4 7.253 -1.175 -4.303 30 3HD2 LEU 4 HD23 LEU 4 7.001 0.054 -3.063 31 H ARG 5 HN ARG 5 7.028 2.735 -1.783 32 HA ARG 5 HA ARG 5 6.834 3.077 1.136 33 1HB ARG 5 HB2 ARG 5 5.971 5.366 0.654 34 2HB ARG 5 HB1 ARG 5 7.642 5.117 0.169 35 1HG ARG 5 HG2 ARG 5 6.101 4.454 -2.071 36 2HG ARG 5 HG1 ARG 5 5.384 5.923 -1.407 37 1HD ARG 5 HD2 ARG 5 8.344 5.649 -1.835 38 2HD ARG 5 HD1 ARG 5 7.264 6.191 -3.119 39 HE ARG 5 HE ARG 5 6.625 7.841 -1.097 40 1HH1 ARG 5 HH11 ARG 5 9.695 6.928 -2.486 41 2HH1 ARG 5 HH12 ARG 5 10.453 8.440 -2.117 42 1HH2 ARG 5 HH21 ARG 5 7.622 9.830 -0.612 43 2HH2 ARG 5 HH22 ARG 5 9.277 10.088 -1.053 44 H VAL 6 HN VAL 6 5.096 2.112 1.906 45 HA VAL 6 HA VAL 6 2.699 1.884 0.235 46 HB VAL 6 HB VAL 6 3.224 0.558 2.898 47 1HG1 VAL 6 HG11 VAL 6 1.114 0.286 0.790 48 2HG1 VAL 6 HG12 VAL 6 0.930 0.480 2.533 49 3HG1 VAL 6 HG13 VAL 6 1.491 -1.055 1.871 50 1HG2 VAL 6 HG21 VAL 6 4.924 -0.160 1.331 51 2HG2 VAL 6 HG22 VAL 6 3.695 -0.501 0.113 52 3HG2 VAL 6 HG23 VAL 6 3.764 -1.463 1.590 53 H TYR 7 HN TYR 7 0.983 3.140 0.583 54 HA TYR 7 HA TYR 7 1.014 5.037 2.745 55 1HB TYR 7 HB2 TYR 7 -0.763 4.557 0.379 56 2HB TYR 7 HB1 TYR 7 -1.295 5.622 1.676 57 HD1 TYR 7 HD1 TYR 7 1.104 5.177 -1.057 58 HD2 TYR 7 HD2 TYR 7 -0.217 7.762 2.052 59 HE1 TYR 7 HE1 TYR 7 2.384 7.024 -2.056 60 HE2 TYR 7 HE2 TYR 7 1.058 9.616 1.062 61 HH TYR 7 HH TYR 7 3.366 9.143 -1.413 62 H SER 8 HN SER 8 -0.538 5.286 4.362 63 HA SER 8 HA SER 8 -2.566 3.271 4.757 64 1HB SER 8 HB2 SER 8 -0.066 2.674 5.763 65 2HB SER 8 HB1 SER 8 -0.882 3.393 7.152 66 HG SER 8 HG SER 8 -2.661 1.887 6.562 67 H THR 9 HN THR 9 -3.449 3.616 7.168 68 HA THR 9 HA THR 9 -3.513 6.501 7.723 69 HB THR 9 HB THR 9 -5.513 6.180 6.502 70 HG1 THR 9 HG1 THR 9 -6.286 5.850 9.205 71 1HG2 THR 9 HG21 THR 9 -5.624 3.757 6.476 72 2HG2 THR 9 HG22 THR 9 -7.162 4.455 6.984 73 3HG2 THR 9 HG23 THR 9 -6.076 3.748 8.180 74 H SER 10 HN SER 10 -2.728 6.733 9.707 75 HA SER 10 HA SER 10 -2.656 4.670 11.641 76 1HB SER 10 HB2 SER 10 -1.763 6.367 13.151 77 2HB SER 10 HB1 SER 10 -1.019 6.528 11.560 78 HG SER 10 HG SER 10 -2.553 8.295 12.943 79 H VAL 11 HN VAL 11 -4.347 7.807 11.843 80 HA VAL 11 HA VAL 11 -5.961 7.124 14.021 81 HB VAL 11 HB VAL 11 -6.670 9.093 11.843 82 1HG1 VAL 11 HG11 VAL 11 -7.367 9.609 14.656 83 2HG1 VAL 11 HG12 VAL 11 -8.228 8.274 13.890 84 3HG1 VAL 11 HG13 VAL 11 -8.296 9.889 13.184 85 1HG2 VAL 11 HG21 VAL 11 -4.365 9.136 13.321 86 2HG2 VAL 11 HG22 VAL 11 -5.450 10.138 14.284 87 3HG2 VAL 11 HG23 VAL 11 -5.140 10.544 12.596 88 H THR 12 HN THR 12 -6.840 7.242 10.565 89 HA THR 12 HA THR 12 -8.447 6.169 9.365 90 HB THR 12 HB THR 12 -8.799 4.052 11.423 91 HG1 THR 12 HG1 THR 12 -6.785 3.424 11.413 92 1HG2 THR 12 HG21 THR 12 -8.493 4.159 8.458 93 2HG2 THR 12 HG22 THR 12 -9.776 3.438 9.429 94 3HG2 THR 12 HG23 THR 12 -8.196 2.660 9.338 95 H GLY 13 HN GLY 13 -10.227 7.419 9.365 96 1HA GLY 13 HA2 GLY 13 -11.874 7.712 11.719 97 2HA GLY 13 HA1 GLY 13 -12.162 8.438 10.145 98 H SER 14 HN SER 14 -11.927 5.794 8.808 99 HA SER 14 HA SER 14 -14.691 5.048 9.056 100 1HB SER 14 HB2 SER 14 -13.674 5.062 6.853 101 2HB SER 14 HB1 SER 14 -12.450 3.905 7.374 102 HG SER 14 HG SER 14 -14.426 3.127 6.186 103 H ARG 15 HN ARG 15 -15.166 2.581 9.026 104 HA ARG 15 HA ARG 15 -13.709 1.380 11.264 105 1HB ARG 15 HB2 ARG 15 -16.146 2.006 11.597 106 2HB ARG 15 HB1 ARG 15 -16.520 0.726 10.451 107 1HG ARG 15 HG2 ARG 15 -15.101 -0.746 12.074 108 2HG ARG 15 HG1 ARG 15 -15.469 0.533 13.233 109 1HD ARG 15 HD2 ARG 15 -17.887 0.236 12.658 110 2HD ARG 15 HD1 ARG 15 -17.426 -1.171 11.700 111 HE ARG 15 HE ARG 15 -17.206 -2.366 13.635 112 1HH1 ARG 15 HH11 ARG 15 -17.225 1.035 14.420 113 2HH1 ARG 15 HH12 ARG 15 -17.280 0.768 16.130 114 1HH2 ARG 15 HH21 ARG 15 -17.278 -2.719 15.884 115 2HH2 ARG 15 HH22 ARG 15 -17.310 -1.363 16.961 116 H GLU 16 HN GLU 16 -14.421 1.085 8.072 117 HA GLU 16 HA GLU 16 -13.932 -1.800 7.982 118 1HB GLU 16 HB2 GLU 16 -14.644 -0.032 5.646 119 2HB GLU 16 HB1 GLU 16 -14.773 -1.782 5.754 120 1HG GLU 16 HG2 GLU 16 -16.374 -0.982 7.805 121 2HG GLU 16 HG1 GLU 16 -16.626 0.302 6.624 122 H ILE 17 HN ILE 17 -12.616 1.286 6.996 123 HA ILE 17 HA ILE 17 -10.599 0.405 5.267 124 HB ILE 17 HB ILE 17 -10.533 2.795 7.116 125 1HG1 ILE 17 HG12 ILE 17 -11.472 2.563 4.248 126 2HG1 ILE 17 HG11 ILE 17 -12.516 2.762 5.652 127 1HG2 ILE 17 HG21 ILE 17 -8.749 1.832 4.965 128 2HG2 ILE 17 HG22 ILE 17 -8.388 2.804 6.391 129 3HG2 ILE 17 HG23 ILE 17 -9.115 3.557 4.972 130 1HD1 ILE 17 HD11 ILE 17 -12.408 4.914 4.952 131 2HD1 ILE 17 HD12 ILE 17 -10.791 4.731 4.271 132 3HD1 ILE 17 HD13 ILE 17 -11.000 4.896 6.014 133 H LYS 18 HN LYS 18 -10.774 0.518 8.762 134 HA LYS 18 HA LYS 18 -8.034 0.180 9.323 135 1HB LYS 18 HB2 LYS 18 -10.381 -0.781 10.968 136 2HB LYS 18 HB1 LYS 18 -8.745 -0.497 11.545 137 1HG LYS 18 HG2 LYS 18 -8.963 1.808 11.423 138 2HG LYS 18 HG1 LYS 18 -10.324 1.718 10.303 139 1HD LYS 18 HD2 LYS 18 -11.841 1.298 11.964 140 2HD LYS 18 HD1 LYS 18 -10.649 0.509 13.000 141 1HE LYS 18 HE2 LYS 18 -9.666 2.652 13.554 142 2HE LYS 18 HE1 LYS 18 -10.763 3.471 12.443 143 1HZ LYS 18 HZ1 LYS 18 -12.505 2.201 13.990 144 2HZ LYS 18 HZ2 LYS 18 -11.945 3.763 14.319 145 3HZ LYS 18 HZ3 LYS 18 -11.259 2.435 15.111 146 H SER 19 HN SER 19 -10.550 -2.059 8.414 147 HA SER 19 HA SER 19 -9.067 -4.415 9.127 148 1HB SER 19 HB2 SER 19 -11.552 -4.025 7.445 149 2HB SER 19 HB1 SER 19 -10.873 -5.601 7.853 150 HG SER 19 HG SER 19 -11.103 -4.903 10.102 151 H GLN 20 HN GLN 20 -9.436 -2.415 6.292 152 HA GLN 20 HA GLN 20 -8.391 -4.250 4.402 153 1HB GLN 20 HB2 GLN 20 -8.199 -1.248 4.203 154 2HB GLN 20 HB1 GLN 20 -8.289 -2.416 2.893 155 1HG GLN 20 HG2 GLN 20 -10.480 -1.630 4.794 156 2HG GLN 20 HG1 GLN 20 -10.392 -1.315 3.062 157 1HE2 GLN 20 HE21 GLN 20 -12.524 -2.605 4.410 158 2HE2 GLN 20 HE22 GLN 20 -12.628 -4.221 3.806 159 H GLN 21 HN GLN 21 -6.897 -1.530 6.148 160 HA GLN 21 HA GLN 21 -4.314 -1.837 5.121 161 1HB GLN 21 HB2 GLN 21 -3.614 -0.646 7.254 162 2HB GLN 21 HB1 GLN 21 -4.799 0.181 6.252 163 1HG GLN 21 HG2 GLN 21 -6.560 -0.342 7.725 164 2HG GLN 21 HG1 GLN 21 -5.582 -1.523 8.594 165 1HE2 GLN 21 HE21 GLN 21 -4.693 1.728 7.567 166 2HE2 GLN 21 HE22 GLN 21 -4.435 2.355 9.155 167 H SER 22 HN SER 22 -5.896 -3.335 7.893 168 HA SER 22 HA SER 22 -3.664 -4.556 9.051 169 1HB SER 22 HB2 SER 22 -6.601 -4.993 9.131 170 2HB SER 22 HB1 SER 22 -5.586 -6.331 9.669 171 HG SER 22 HG SER 22 -4.621 -4.922 11.161 172 H GLU 23 HN GLU 23 -5.760 -5.601 6.415 173 HA GLU 23 HA GLU 23 -4.814 -8.228 6.166 174 1HB GLU 23 HB2 GLU 23 -6.757 -6.801 4.948 175 2HB GLU 23 HB1 GLU 23 -5.544 -6.805 3.676 176 1HG GLU 23 HG2 GLU 23 -7.036 -8.645 3.344 177 2HG GLU 23 HG1 GLU 23 -5.455 -9.267 3.816 178 H VAL 24 HN VAL 24 -3.919 -5.371 4.221 179 HA VAL 24 HA VAL 24 -1.839 -6.556 2.800 180 HB VAL 24 HB VAL 24 -1.924 -3.662 3.658 181 1HG1 VAL 24 HG11 VAL 24 -0.971 -4.366 0.983 182 2HG1 VAL 24 HG12 VAL 24 0.026 -5.000 2.292 183 3HG1 VAL 24 HG13 VAL 24 -0.286 -3.268 2.181 184 1HG2 VAL 24 HG21 VAL 24 -2.960 -4.220 1.011 185 2HG2 VAL 24 HG22 VAL 24 -3.666 -3.276 2.322 186 3HG2 VAL 24 HG23 VAL 24 -3.905 -5.023 2.265 187 H THR 25 HN THR 25 -1.756 -4.804 5.885 188 HA THR 25 HA THR 25 1.045 -4.938 6.233 189 HB THR 25 HB THR 25 0.415 -4.570 8.698 190 HG1 THR 25 HG1 THR 25 -1.701 -5.430 8.531 191 1HG2 THR 25 HG21 THR 25 0.793 -2.481 8.083 192 2HG2 THR 25 HG22 THR 25 -0.933 -2.337 7.750 193 3HG2 THR 25 HG23 THR 25 0.181 -2.782 6.457 194 H ARG 26 HN ARG 26 -1.555 -7.157 6.928 195 HA ARG 26 HA ARG 26 -0.283 -8.837 8.764 196 1HB ARG 26 HB2 ARG 26 -2.655 -8.909 7.110 197 2HB ARG 26 HB1 ARG 26 -1.888 -10.490 7.165 198 1HG ARG 26 HG2 ARG 26 -2.108 -10.638 9.495 199 2HG ARG 26 HG1 ARG 26 -2.461 -8.916 9.653 200 1HD ARG 26 HD2 ARG 26 -4.581 -9.722 9.819 201 2HD ARG 26 HD1 ARG 26 -4.482 -9.582 8.064 202 HE ARG 26 HE ARG 26 -4.546 -11.867 7.907 203 1HH1 ARG 26 HH11 ARG 26 -3.896 -10.973 11.217 204 2HH1 ARG 26 HH12 ARG 26 -4.083 -12.585 11.820 205 1HH2 ARG 26 HH21 ARG 26 -4.791 -13.988 8.698 206 2HH2 ARG 26 HH22 ARG 26 -4.590 -14.297 10.391 207 H ILE 27 HN ILE 27 -0.460 -9.096 5.216 208 HA ILE 27 HA ILE 27 1.217 -11.376 5.052 209 HB ILE 27 HB ILE 27 0.738 -9.332 2.884 210 1HG1 ILE 27 HG12 ILE 27 -0.928 -11.511 2.420 211 2HG1 ILE 27 HG11 ILE 27 -1.075 -11.232 4.153 212 1HG2 ILE 27 HG21 ILE 27 0.927 -11.641 1.584 213 2HG2 ILE 27 HG22 ILE 27 1.915 -12.051 2.986 214 3HG2 ILE 27 HG23 ILE 27 2.342 -10.666 1.981 215 1HD1 ILE 27 HD11 ILE 27 -1.289 -8.706 3.166 216 2HD1 ILE 27 HD12 ILE 27 -2.644 -9.763 3.565 217 3HD1 ILE 27 HD13 ILE 27 -2.065 -9.661 1.902 218 H LEU 28 HN LEU 28 1.819 -7.921 5.027 219 HA LEU 28 HA LEU 28 4.532 -8.097 4.167 220 1HB LEU 28 HB2 LEU 28 2.975 -5.926 5.562 221 2HB LEU 28 HB1 LEU 28 4.652 -5.743 5.085 222 HG LEU 28 HG LEU 28 2.628 -6.520 3.027 223 1HD1 LEU 28 HD11 LEU 28 2.834 -3.912 4.415 224 2HD1 LEU 28 HD12 LEU 28 1.445 -4.688 3.654 225 3HD1 LEU 28 HD13 LEU 28 2.662 -3.886 2.660 226 1HD2 LEU 28 HD21 LEU 28 4.303 -4.796 1.854 227 2HD2 LEU 28 HD22 LEU 28 4.639 -6.522 1.987 228 3HD2 LEU 28 HD23 LEU 28 5.359 -5.392 3.134 229 H ASP 29 HN ASP 29 2.948 -7.832 7.321 230 HA ASP 29 HA ASP 29 5.298 -7.630 8.864 231 1HB ASP 29 HB2 ASP 29 2.730 -7.317 9.468 232 2HB ASP 29 HB1 ASP 29 2.890 -8.993 9.983 233 H GLY 30 HN GLY 30 3.237 -10.444 8.124 234 1HA GLY 30 HA2 GLY 30 4.754 -12.367 9.471 235 2HA GLY 30 HA1 GLY 30 3.705 -12.691 8.099 236 H LYS 31 HN LYS 31 5.255 -10.864 6.364 237 HA LYS 31 HA LYS 31 7.229 -12.789 5.517 238 1HB LYS 31 HB2 LYS 31 6.149 -10.228 4.392 239 2HB LYS 31 HB1 LYS 31 7.618 -10.931 3.729 240 1HG LYS 31 HG2 LYS 31 6.524 -12.713 2.817 241 2HG LYS 31 HG1 LYS 31 5.238 -12.683 4.024 242 1HD LYS 31 HD2 LYS 31 3.982 -11.711 2.451 243 2HD LYS 31 HD1 LYS 31 4.950 -10.262 2.733 244 1HE LYS 31 HE2 LYS 31 5.049 -10.582 0.419 245 2HE LYS 31 HE1 LYS 31 6.575 -11.236 1.015 246 1HZ LYS 31 HZ1 LYS 31 5.915 -13.384 0.613 247 2HZ LYS 31 HZ2 LYS 31 5.171 -12.578 -0.675 248 3HZ LYS 31 HZ3 LYS 31 4.263 -13.023 0.681 249 H ARG 32 HN ARG 32 7.211 -10.078 7.552 250 HA ARG 32 HA ARG 32 8.842 -8.917 8.622 251 1HB ARG 32 HB2 ARG 32 10.495 -11.243 7.634 252 2HB ARG 32 HB1 ARG 32 11.127 -9.994 8.698 253 1HG ARG 32 HG2 ARG 32 10.419 -11.198 10.414 254 2HG ARG 32 HG1 ARG 32 8.765 -10.853 9.907 255 1HD ARG 32 HD2 ARG 32 8.607 -12.864 8.696 256 2HD ARG 32 HD1 ARG 32 10.351 -13.120 8.736 257 HE ARG 32 HE ARG 32 10.135 -14.069 10.811 258 1HH1 ARG 32 HH11 ARG 32 7.179 -12.394 10.014 259 2HH1 ARG 32 HH12 ARG 32 6.308 -13.025 11.370 260 1HH2 ARG 32 HH21 ARG 32 8.991 -14.901 12.596 261 2HH2 ARG 32 HH22 ARG 32 7.336 -14.448 12.837 262 H ILE 33 HN ILE 33 8.165 -7.916 6.179 263 HA ILE 33 HA ILE 33 10.546 -7.408 4.628 264 HB ILE 33 HB ILE 33 7.835 -6.119 4.329 265 1HG1 ILE 33 HG12 ILE 33 8.930 -8.621 3.027 266 2HG1 ILE 33 HG11 ILE 33 7.615 -8.553 4.196 267 1HG2 ILE 33 HG21 ILE 33 8.636 -5.882 1.949 268 2HG2 ILE 33 HG22 ILE 33 10.234 -6.350 2.530 269 3HG2 ILE 33 HG23 ILE 33 9.468 -4.884 3.141 270 1HD1 ILE 33 HD11 ILE 33 6.111 -7.968 2.647 271 2HD1 ILE 33 HD12 ILE 33 7.296 -8.613 1.512 272 3HD1 ILE 33 HD13 ILE 33 7.229 -6.879 1.826 273 H GLN 34 HN GLN 34 11.248 -5.236 4.138 274 HA GLN 34 HA GLN 34 11.062 -3.480 6.491 275 1HB GLN 34 HB2 GLN 34 13.229 -2.572 5.812 276 2HB GLN 34 HB1 GLN 34 13.317 -4.316 6.014 277 1HG GLN 34 HG2 GLN 34 14.353 -4.278 4.040 278 2HG GLN 34 HG1 GLN 34 12.727 -4.123 3.375 279 1HE2 GLN 34 HE21 GLN 34 12.608 -2.630 1.875 280 2HE2 GLN 34 HE22 GLN 34 13.476 -1.137 1.841 281 H TYR 35 HN TYR 35 9.059 -3.468 4.477 282 HA TYR 35 HA TYR 35 9.467 -1.386 2.598 283 1HB TYR 35 HB2 TYR 35 7.145 -1.579 2.102 284 2HB TYR 35 HB1 TYR 35 7.711 -3.204 2.471 285 HD1 TYR 35 HD1 TYR 35 5.311 -0.684 3.229 286 HD2 TYR 35 HD2 TYR 35 7.286 -4.081 4.858 287 HE1 TYR 35 HE1 TYR 35 3.535 -0.901 4.915 288 HE2 TYR 35 HE2 TYR 35 5.517 -4.307 6.549 289 HH TYR 35 HH TYR 35 2.574 -2.561 6.376 290 H GLN 36 HN GLN 36 8.432 0.704 2.570 291 HA GLN 36 HA GLN 36 8.696 2.066 5.093 292 1HB GLN 36 HB2 GLN 36 9.103 2.789 2.478 293 2HB GLN 36 HB1 GLN 36 7.567 3.565 2.828 294 1HG GLN 36 HG2 GLN 36 9.584 4.979 3.199 295 2HG GLN 36 HG1 GLN 36 8.505 4.838 4.586 296 1HE2 GLN 36 HE21 GLN 36 9.949 5.212 6.178 297 2HE2 GLN 36 HE22 GLN 36 11.302 4.196 6.521 298 H LEU 37 HN LEU 37 6.890 3.922 5.361 299 HA LEU 37 HA LEU 37 4.229 2.845 4.936 300 1HB LEU 37 HB2 LEU 37 5.300 2.089 7.172 301 2HB LEU 37 HB1 LEU 37 4.986 3.730 7.691 302 HG LEU 37 HG LEU 37 2.881 1.807 6.695 303 1HD1 LEU 37 HD11 LEU 37 2.423 1.192 8.824 304 2HD1 LEU 37 HD12 LEU 37 2.942 2.735 9.501 305 3HD1 LEU 37 HD13 LEU 37 4.141 1.531 9.032 306 1HD2 LEU 37 HD21 LEU 37 2.129 3.991 6.249 307 2HD2 LEU 37 HD22 LEU 37 2.778 4.612 7.767 308 3HD2 LEU 37 HD23 LEU 37 1.375 3.544 7.779 309 H VAL 38 HN VAL 38 4.229 4.662 3.519 310 HA VAL 38 HA VAL 38 4.464 7.310 4.623 311 HB VAL 38 HB VAL 38 3.481 7.983 2.340 312 1HG1 VAL 38 HG11 VAL 38 6.128 6.695 2.834 313 2HG1 VAL 38 HG12 VAL 38 5.735 8.394 2.571 314 3HG1 VAL 38 HG13 VAL 38 5.722 7.265 1.215 315 1HG2 VAL 38 HG21 VAL 38 2.570 5.662 1.919 316 2HG2 VAL 38 HG22 VAL 38 4.231 5.163 1.605 317 3HG2 VAL 38 HG23 VAL 38 3.471 6.389 0.591 318 H ASP 39 HN ASP 39 2.938 7.032 6.310 319 HA ASP 39 HA ASP 39 0.153 6.649 5.696 320 1HB ASP 39 HB2 ASP 39 1.174 5.928 7.847 321 2HB ASP 39 HB1 ASP 39 1.420 7.621 8.266 322 H ILE 40 HN ILE 40 -1.277 8.129 5.129 323 HA ILE 40 HA ILE 40 -0.488 10.904 4.946 324 HB ILE 40 HB ILE 40 -2.683 11.217 3.836 325 1HG1 ILE 40 HG12 ILE 40 -2.977 8.219 4.080 326 2HG1 ILE 40 HG11 ILE 40 -3.808 9.359 5.134 327 1HG2 ILE 40 HG21 ILE 40 -1.671 10.674 1.932 328 2HG2 ILE 40 HG22 ILE 40 -1.788 8.952 2.290 329 3HG2 ILE 40 HG23 ILE 40 -0.420 9.887 2.894 330 1HD1 ILE 40 HD11 ILE 40 -4.993 10.290 3.258 331 2HD1 ILE 40 HD12 ILE 40 -5.210 8.539 3.289 332 3HD1 ILE 40 HD13 ILE 40 -4.087 9.269 2.141 333 H SER 41 HN SER 41 -2.206 8.958 7.170 334 HA SER 41 HA SER 41 -4.088 10.773 8.174 335 1HB SER 41 HB2 SER 41 -3.671 8.228 8.702 336 2HB SER 41 HB1 SER 41 -2.679 8.871 10.011 337 HG SER 41 HG SER 41 -4.537 10.061 10.689 338 H GLN 42 HN GLN 42 -0.658 10.624 8.514 339 HA GLN 42 HA GLN 42 -0.264 11.981 10.915 340 1HB GLN 42 HB2 GLN 42 1.504 10.860 9.563 341 2HB GLN 42 HB1 GLN 42 1.423 12.188 8.417 342 1HG GLN 42 HG2 GLN 42 1.850 13.599 10.630 343 2HG GLN 42 HG1 GLN 42 2.601 12.083 11.128 344 1HE2 GLN 42 HE21 GLN 42 2.912 14.915 9.280 345 2HE2 GLN 42 HE22 GLN 42 4.437 14.559 8.551 346 H ASP 43 HN ASP 43 0.013 13.422 7.666 347 HA ASP 43 HA ASP 43 -0.876 15.979 8.832 348 1HB ASP 43 HB2 ASP 43 1.191 15.289 6.822 349 2HB ASP 43 HB1 ASP 43 0.258 16.749 6.511 350 H ASN 44 HN ASN 44 -1.629 17.453 6.803 351 HA ASN 44 HA ASN 44 -3.914 15.995 5.689 352 1HB ASN 44 HB2 ASN 44 -3.414 18.819 6.470 353 2HB ASN 44 HB1 ASN 44 -4.505 18.544 5.115 354 1HD2 ASN 44 HD21 ASN 44 -4.233 18.725 8.436 355 2HD2 ASN 44 HD22 ASN 44 -5.758 18.036 8.863 356 H ALA 45 HN ALA 45 -0.931 17.389 4.767 357 HA ALA 45 HA ALA 45 -1.660 17.944 2.038 358 1HB ALA 45 HB1 ALA 45 0.128 19.181 3.231 359 2HB ALA 45 HB2 ALA 45 0.663 18.475 1.707 360 3HB ALA 45 HB3 ALA 45 1.098 17.708 3.234 361 H LEU 46 HN LEU 46 -0.442 15.224 3.823 362 HA LEU 46 HA LEU 46 0.678 13.784 1.666 363 1HB LEU 46 HB2 LEU 46 -0.301 13.077 4.399 364 2HB LEU 46 HB1 LEU 46 0.046 11.789 3.261 365 HG LEU 46 HG LEU 46 2.279 13.507 3.188 366 1HD1 LEU 46 HD11 LEU 46 2.805 13.039 5.763 367 2HD1 LEU 46 HD12 LEU 46 1.065 13.301 5.875 368 3HD1 LEU 46 HD13 LEU 46 2.103 14.550 5.187 369 1HD2 LEU 46 HD21 LEU 46 3.167 11.414 4.594 370 2HD2 LEU 46 HD22 LEU 46 2.832 11.335 2.865 371 3HD2 LEU 46 HD23 LEU 46 1.640 10.743 4.022 372 H ARG 47 HN ARG 47 -2.578 13.955 3.011 373 HA ARG 47 HA ARG 47 -3.658 11.845 1.451 374 1HB ARG 47 HB2 ARG 47 -5.863 12.842 2.072 375 2HB ARG 47 HB1 ARG 47 -4.814 12.515 3.444 376 1HG ARG 47 HG2 ARG 47 -4.343 14.788 3.768 377 2HG ARG 47 HG1 ARG 47 -4.962 15.228 2.175 378 1HD ARG 47 HD2 ARG 47 -6.762 15.847 3.408 379 2HD ARG 47 HD1 ARG 47 -7.177 14.149 3.183 380 HE ARG 47 HE ARG 47 -5.606 14.603 5.532 381 1HH1 ARG 47 HH11 ARG 47 -8.845 14.699 4.236 382 2HH1 ARG 47 HH12 ARG 47 -9.603 14.480 5.778 383 1HH2 ARG 47 HH21 ARG 47 -6.601 14.315 7.561 384 2HH2 ARG 47 HH22 ARG 47 -8.329 14.262 7.666 385 H ASP 48 HN ASP 48 -3.389 15.335 0.983 386 HA ASP 48 HA ASP 48 -4.824 15.210 -1.517 387 1HB ASP 48 HB2 ASP 48 -4.538 17.200 0.307 388 2HB ASP 48 HB1 ASP 48 -3.329 17.668 -0.884 389 H GLU 49 HN GLU 49 -1.882 14.325 -0.658 390 HA GLU 49 HA GLU 49 -0.534 15.262 -3.086 391 1HB GLU 49 HB2 GLU 49 0.374 14.352 -0.421 392 2HB GLU 49 HB1 GLU 49 1.371 13.846 -1.778 393 1HG GLU 49 HG2 GLU 49 0.954 16.503 -2.300 394 2HG GLU 49 HG1 GLU 49 1.075 16.464 -0.541 395 H MET 50 HN MET 50 -1.760 12.433 -1.471 396 HA MET 50 HA MET 50 -0.594 10.571 -3.345 397 1HB MET 50 HB2 MET 50 -1.408 10.299 -0.791 398 2HB MET 50 HB1 MET 50 -2.854 9.734 -1.616 399 1HG MET 50 HG2 MET 50 -0.146 8.650 -2.292 400 2HG MET 50 HG1 MET 50 -1.088 8.015 -0.944 401 1HE MET 50 HE1 MET 50 -0.612 5.582 -3.129 402 2HE MET 50 HE2 MET 50 0.168 7.040 -3.741 403 3HE MET 50 HE3 MET 50 -1.003 6.181 -4.741 404 H ARG 51 HN ARG 51 -3.816 11.888 -2.661 405 HA ARG 51 HA ARG 51 -5.251 10.432 -4.562 406 1HB ARG 51 HB2 ARG 51 -5.659 12.953 -3.064 407 2HB ARG 51 HB1 ARG 51 -6.627 12.756 -4.519 408 1HG ARG 51 HG2 ARG 51 -7.986 11.884 -2.868 409 2HG ARG 51 HG1 ARG 51 -7.220 10.444 -3.544 410 1HD ARG 51 HD2 ARG 51 -5.527 10.576 -1.718 411 2HD ARG 51 HD1 ARG 51 -6.461 11.894 -1.012 412 HE ARG 51 HE ARG 51 -7.029 9.109 -0.836 413 1HH1 ARG 51 HH11 ARG 51 -8.528 12.257 -0.978 414 2HH1 ARG 51 HH12 ARG 51 -9.957 11.752 -0.142 415 1HH2 ARG 51 HH21 ARG 51 -8.909 8.443 0.265 416 2HH2 ARG 51 HH22 ARG 51 -10.174 9.587 0.565 417 H ALA 52 HN ALA 52 -3.182 13.214 -4.901 418 HA ALA 52 HA ALA 52 -4.069 13.866 -7.560 419 1HB ALA 52 HB1 ALA 52 -3.249 15.691 -6.328 420 2HB ALA 52 HB2 ALA 52 -1.994 15.340 -7.517 421 3HB ALA 52 HB3 ALA 52 -1.795 14.819 -5.844 422 H LEU 53 HN LEU 53 -0.941 12.710 -6.279 423 HA LEU 53 HA LEU 53 0.175 12.057 -8.757 424 1HB LEU 53 HB2 LEU 53 0.740 10.787 -6.077 425 2HB LEU 53 HB1 LEU 53 1.776 10.704 -7.488 426 HG LEU 53 HG LEU 53 1.067 13.396 -6.425 427 1HD1 LEU 53 HD11 LEU 53 2.535 13.349 -4.650 428 2HD1 LEU 53 HD12 LEU 53 3.389 11.929 -5.255 429 3HD1 LEU 53 HD13 LEU 53 1.787 11.756 -4.538 430 1HD2 LEU 53 HD21 LEU 53 3.585 13.616 -7.049 431 2HD2 LEU 53 HD22 LEU 53 2.367 13.561 -8.323 432 3HD2 LEU 53 HD23 LEU 53 3.304 12.118 -7.936 433 H ALA 54 HN ALA 54 -2.010 10.295 -6.689 434 HA ALA 54 HA ALA 54 -1.653 7.764 -7.982 435 1HB ALA 54 HB1 ALA 54 -3.981 8.629 -6.281 436 2HB ALA 54 HB2 ALA 54 -2.443 8.063 -5.628 437 3HB ALA 54 HB3 ALA 54 -3.436 6.984 -6.609 438 H GLY 55 HN GLY 55 -3.242 10.604 -8.887 439 1HA GLY 55 HA2 GLY 55 -4.649 11.094 -10.634 440 2HA GLY 55 HA1 GLY 55 -4.242 9.509 -11.277 441 H ASN 56 HN ASN 56 -5.899 10.415 -8.274 442 HA ASN 56 HA ASN 56 -8.514 9.922 -9.068 443 1HB ASN 56 HB2 ASN 56 -8.724 7.647 -7.792 444 2HB ASN 56 HB1 ASN 56 -8.207 7.650 -9.474 445 1HD2 ASN 56 HD21 ASN 56 -6.773 7.960 -6.240 446 2HD2 ASN 56 HD22 ASN 56 -5.431 6.918 -6.551 447 HA PRO 57 HA PRO 57 -8.504 11.624 -4.995 448 1HB PRO 57 HB2 PRO 57 -10.931 12.926 -5.600 449 2HB PRO 57 HB1 PRO 57 -9.314 13.610 -5.666 450 1HG PRO 57 HG2 PRO 57 -11.001 13.195 -7.835 451 2HG PRO 57 HG1 PRO 57 -9.253 13.471 -7.921 452 1HD PRO 57 HD2 PRO 57 -10.780 10.911 -8.038 453 2HD PRO 57 HD1 PRO 57 -9.309 11.400 -8.909 454 H LYS 58 HN LYS 58 -9.800 8.991 -5.796 455 HA LYS 58 HA LYS 58 -11.810 8.965 -3.654 456 1HB LYS 58 HB2 LYS 58 -12.146 8.266 -6.449 457 2HB LYS 58 HB1 LYS 58 -12.522 6.903 -5.403 458 1HG LYS 58 HG2 LYS 58 -14.152 8.208 -4.206 459 2HG LYS 58 HG1 LYS 58 -13.710 9.654 -5.116 460 1HD LYS 58 HD2 LYS 58 -14.460 7.336 -6.759 461 2HD LYS 58 HD1 LYS 58 -15.759 7.990 -5.761 462 1HE LYS 58 HE2 LYS 58 -16.035 9.346 -7.552 463 2HE LYS 58 HE1 LYS 58 -14.779 10.277 -6.738 464 1HZ LYS 58 HZ1 LYS 58 -14.308 8.280 -8.886 465 2HZ LYS 58 HZ2 LYS 58 -13.125 9.224 -8.130 466 3HZ LYS 58 HZ3 LYS 58 -14.303 9.960 -9.095 467 H ALA 59 HN ALA 59 -8.844 7.958 -4.507 468 HA ALA 59 HA ALA 59 -8.778 5.205 -4.070 469 1HB ALA 59 HB1 ALA 59 -6.706 5.708 -4.717 470 2HB ALA 59 HB2 ALA 59 -6.390 6.135 -3.036 471 3HB ALA 59 HB3 ALA 59 -6.864 7.382 -4.188 472 H THR 60 HN THR 60 -7.150 4.589 -2.039 473 HA THR 60 HA THR 60 -8.491 5.518 0.408 474 HB THR 60 HB THR 60 -8.702 3.279 1.232 475 HG1 THR 60 HG1 THR 60 -7.448 2.374 -1.141 476 1HG2 THR 60 HG21 THR 60 -10.449 2.591 0.016 477 2HG2 THR 60 HG22 THR 60 -9.542 2.614 -1.497 478 3HG2 THR 60 HG23 THR 60 -10.203 4.112 -0.841 479 HA PRO 61 HA PRO 61 -4.606 5.851 2.447 480 1HB PRO 61 HB2 PRO 61 -5.280 3.637 4.314 481 2HB PRO 61 HB1 PRO 61 -4.786 5.296 4.664 482 1HG PRO 61 HG2 PRO 61 -7.323 4.543 4.962 483 2HG PRO 61 HG1 PRO 61 -6.916 6.145 4.321 484 1HD PRO 61 HD2 PRO 61 -7.871 3.710 2.880 485 2HD PRO 61 HD1 PRO 61 -8.260 5.418 2.589 486 HA PRO 62 HA PRO 62 -2.719 1.427 2.133 487 1HB PRO 62 HB2 PRO 62 -4.263 -0.605 1.255 488 2HB PRO 62 HB1 PRO 62 -4.178 -0.145 2.959 489 1HG PRO 62 HG2 PRO 62 -6.259 0.530 0.917 490 2HG PRO 62 HG1 PRO 62 -6.469 0.028 2.604 491 1HD PRO 62 HD2 PRO 62 -6.625 2.616 1.797 492 2HD PRO 62 HD1 PRO 62 -6.071 2.141 3.413 493 H GLN 63 HN GLN 63 -1.659 2.435 0.400 494 HA GLN 63 HA GLN 63 -2.284 1.282 -2.206 495 1HB GLN 63 HB2 GLN 63 -1.633 4.209 -2.077 496 2HB GLN 63 HB1 GLN 63 -2.350 3.295 -3.396 497 1HG GLN 63 HG2 GLN 63 -3.771 3.731 -0.793 498 2HG GLN 63 HG1 GLN 63 -3.858 4.884 -2.122 499 1HE2 GLN 63 HE21 GLN 63 -4.107 3.412 -4.312 500 2HE2 GLN 63 HE22 GLN 63 -5.522 2.424 -4.257 501 H ILE 64 HN ILE 64 -0.500 0.544 -3.156 502 HA ILE 64 HA ILE 64 2.059 0.996 -1.916 503 HB ILE 64 HB ILE 64 1.530 -0.524 -4.465 504 1HG1 ILE 64 HG12 ILE 64 1.752 -2.433 -2.532 505 2HG1 ILE 64 HG11 ILE 64 0.883 -1.173 -1.661 506 1HG2 ILE 64 HG21 ILE 64 3.842 -0.102 -2.719 507 2HG2 ILE 64 HG22 ILE 64 3.769 -0.588 -4.412 508 3HG2 ILE 64 HG23 ILE 64 3.545 -1.788 -3.140 509 1HD1 ILE 64 HD11 ILE 64 -0.013 -2.948 -3.802 510 2HD1 ILE 64 HD12 ILE 64 -0.499 -1.263 -3.994 511 3HD1 ILE 64 HD13 ILE 64 -0.930 -2.144 -2.528 512 H VAL 65 HN VAL 65 3.875 1.932 -2.843 513 HA VAL 65 HA VAL 65 3.600 3.301 -5.402 514 HB VAL 65 HB VAL 65 4.283 4.758 -2.845 515 1HG1 VAL 65 HG11 VAL 65 3.926 6.490 -5.090 516 2HG1 VAL 65 HG12 VAL 65 5.156 5.287 -5.473 517 3HG1 VAL 65 HG13 VAL 65 5.333 6.303 -4.043 518 1HG2 VAL 65 HG21 VAL 65 2.004 4.775 -2.804 519 2HG2 VAL 65 HG22 VAL 65 1.862 4.611 -4.555 520 3HG2 VAL 65 HG23 VAL 65 2.278 6.171 -3.846 521 H ASN 66 HN ASN 66 5.501 3.528 -6.481 522 HA ASN 66 HA ASN 66 7.888 2.428 -5.159 523 1HB ASN 66 HB2 ASN 66 6.728 1.471 -7.383 524 2HB ASN 66 HB1 ASN 66 7.793 2.665 -8.119 525 1HD2 ASN 66 HD21 ASN 66 8.066 0.384 -5.411 526 2HD2 ASN 66 HD22 ASN 66 9.544 -0.334 -5.945 527 H GLY 67 HN GLY 67 8.367 4.519 -4.245 528 1HA GLY 67 HA2 GLY 67 9.969 6.229 -4.331 529 2HA GLY 67 HA1 GLY 67 9.956 6.126 -6.084 530 H ASP 68 HN ASP 68 8.272 7.170 -7.249 531 HA ASP 68 HA ASP 68 6.559 8.991 -5.745 532 1HB ASP 68 HB2 ASP 68 8.836 10.069 -6.415 533 2HB ASP 68 HB1 ASP 68 8.150 10.103 -8.037 534 H GLN 69 HN GLN 69 5.829 6.689 -7.130 535 HA GLN 69 HA GLN 69 4.106 7.859 -9.170 536 1HB GLN 69 HB2 GLN 69 6.354 6.162 -9.767 537 2HB GLN 69 HB1 GLN 69 4.862 5.351 -10.220 538 1HG GLN 69 HG2 GLN 69 4.237 7.134 -11.662 539 2HG GLN 69 HG1 GLN 69 5.547 8.152 -11.066 540 1HE2 GLN 69 HE21 GLN 69 5.571 4.744 -11.997 541 2HE2 GLN 69 HE22 GLN 69 6.733 4.914 -13.264 542 H TYR 70 HN TYR 70 2.350 6.352 -9.807 543 HA TYR 70 HA TYR 70 1.290 5.078 -7.454 544 1HB TYR 70 HB2 TYR 70 0.026 6.446 -9.281 545 2HB TYR 70 HB1 TYR 70 0.009 4.924 -10.162 546 HD1 TYR 70 HD1 TYR 70 -2.228 4.267 -10.126 547 HD2 TYR 70 HD2 TYR 70 -0.374 5.510 -6.505 548 HE1 TYR 70 HE1 TYR 70 -4.219 3.560 -8.871 549 HE2 TYR 70 HE2 TYR 70 -2.360 4.804 -5.239 550 HH TYR 70 HH TYR 70 -4.656 2.799 -6.385 551 H CYS 71 HN CYS 71 2.214 3.184 -6.946 552 HA CYS 71 HA CYS 71 3.017 1.284 -8.951 553 1HB CYS 71 HB2 CYS 71 4.218 1.626 -6.772 554 2HB CYS 71 HB1 CYS 71 2.848 0.875 -5.962 555 HG CYS 71 HG CYS 71 3.639 -1.164 -7.824 556 H GLY 72 HN GLY 72 0.568 1.272 -6.341 557 1HA GLY 72 HA2 GLY 72 -1.399 0.022 -7.917 558 2HA GLY 72 HA1 GLY 72 -0.560 -1.212 -6.992 559 H ASP 73 HN ASP 73 -2.448 -1.706 -5.837 560 HA ASP 73 HA ASP 73 -2.808 -0.106 -3.484 561 1HB ASP 73 HB2 ASP 73 -5.184 0.335 -3.749 562 2HB ASP 73 HB1 ASP 73 -4.296 1.053 -5.087 563 H TYR 74 HN TYR 74 -5.124 -1.139 -2.486 564 HA TYR 74 HA TYR 74 -4.370 -3.592 -1.462 565 1HB TYR 74 HB2 TYR 74 -6.052 -2.187 -0.400 566 2HB TYR 74 HB1 TYR 74 -7.156 -2.449 -1.745 567 HD1 TYR 74 HD1 TYR 74 -8.170 -4.694 -2.087 568 HD2 TYR 74 HD2 TYR 74 -5.840 -3.784 1.355 569 HE1 TYR 74 HE1 TYR 74 -9.105 -6.659 -0.941 570 HE2 TYR 74 HE2 TYR 74 -6.767 -5.747 2.509 571 HH TYR 74 HH TYR 74 -9.334 -7.179 1.932 572 H GLU 75 HN GLU 75 -6.784 -3.000 -4.027 573 HA GLU 75 HA GLU 75 -7.526 -5.585 -4.550 574 1HB GLU 75 HB2 GLU 75 -8.082 -3.149 -5.610 575 2HB GLU 75 HB1 GLU 75 -7.185 -3.887 -6.926 576 1HG GLU 75 HG2 GLU 75 -9.092 -5.742 -5.865 577 2HG GLU 75 HG1 GLU 75 -9.881 -4.222 -6.283 578 H LEU 76 HN LEU 76 -5.051 -3.798 -6.414 579 HA LEU 76 HA LEU 76 -4.152 -5.891 -7.969 580 1HB LEU 76 HB2 LEU 76 -2.516 -3.625 -6.829 581 2HB LEU 76 HB1 LEU 76 -2.031 -4.647 -8.169 582 HG LEU 76 HG LEU 76 -4.399 -3.745 -9.107 583 1HD1 LEU 76 HD11 LEU 76 -3.489 -1.157 -8.172 584 2HD1 LEU 76 HD12 LEU 76 -4.037 -2.188 -6.851 585 3HD1 LEU 76 HD13 LEU 76 -5.114 -1.842 -8.204 586 1HD2 LEU 76 HD21 LEU 76 -2.804 -1.816 -10.054 587 2HD2 LEU 76 HD22 LEU 76 -2.716 -3.491 -10.599 588 3HD2 LEU 76 HD23 LEU 76 -1.581 -2.898 -9.387 589 H PHE 77 HN PHE 77 -2.479 -4.728 -5.039 590 HA PHE 77 HA PHE 77 -0.613 -6.699 -4.757 591 1HB PHE 77 HB2 PHE 77 -0.628 -4.779 -3.300 592 2HB PHE 77 HB1 PHE 77 -2.168 -5.261 -2.600 593 HD1 PHE 77 HD1 PHE 77 1.391 -5.510 -2.387 594 HD2 PHE 77 HD2 PHE 77 -2.246 -7.405 -1.249 595 HE1 PHE 77 HE1 PHE 77 2.588 -6.740 -0.624 596 HE2 PHE 77 HE2 PHE 77 -1.056 -8.638 0.516 597 HZ PHE 77 HZ PHE 77 1.364 -8.305 0.831 598 H VAL 78 HN VAL 78 -3.843 -6.746 -3.233 599 HA VAL 78 HA VAL 78 -3.638 -9.356 -2.206 600 HB VAL 78 HB VAL 78 -6.175 -7.907 -2.981 601 1HG1 VAL 78 HG11 VAL 78 -5.586 -10.416 -1.558 602 2HG1 VAL 78 HG12 VAL 78 -7.032 -9.919 -2.438 603 3HG1 VAL 78 HG13 VAL 78 -6.772 -9.365 -0.784 604 1HG2 VAL 78 HG21 VAL 78 -5.277 -7.916 -0.175 605 2HG2 VAL 78 HG22 VAL 78 -6.058 -6.645 -1.115 606 3HG2 VAL 78 HG23 VAL 78 -4.325 -6.924 -1.280 607 H GLU 79 HN GLU 79 -4.610 -8.131 -5.335 608 HA GLU 79 HA GLU 79 -5.718 -10.619 -6.241 609 1HB GLU 79 HB2 GLU 79 -6.511 -8.508 -7.169 610 2HB GLU 79 HB1 GLU 79 -4.900 -8.149 -7.777 611 1HG GLU 79 HG2 GLU 79 -5.213 -9.365 -9.609 612 2HG GLU 79 HG1 GLU 79 -5.865 -10.723 -8.694 613 H ALA 80 HN ALA 80 -2.600 -9.689 -5.642 614 HA ALA 80 HA ALA 80 -1.446 -11.130 -7.906 615 1HB ALA 80 HB1 ALA 80 -0.553 -8.903 -7.141 616 2HB ALA 80 HB2 ALA 80 0.640 -10.192 -7.287 617 3HB ALA 80 HB3 ALA 80 0.036 -9.725 -5.697 618 H VAL 81 HN VAL 81 -1.213 -11.153 -4.338 619 HA VAL 81 HA VAL 81 0.333 -13.430 -4.031 620 HB VAL 81 HB VAL 81 -1.959 -12.675 -2.215 621 1HG1 VAL 81 HG11 VAL 81 0.665 -13.920 -1.448 622 2HG1 VAL 81 HG12 VAL 81 -0.729 -14.890 -1.923 623 3HG1 VAL 81 HG13 VAL 81 -0.829 -13.832 -0.515 624 1HG2 VAL 81 HG21 VAL 81 0.149 -11.033 -2.951 625 2HG2 VAL 81 HG22 VAL 81 0.656 -11.720 -1.409 626 3HG2 VAL 81 HG23 VAL 81 -0.875 -10.853 -1.528 627 H GLU 82 HN GLU 82 -3.062 -13.132 -4.745 628 HA GLU 82 HA GLU 82 -3.992 -15.671 -4.133 629 1HB GLU 82 HB2 GLU 82 -5.588 -15.213 -6.126 630 2HB GLU 82 HB1 GLU 82 -5.645 -14.155 -4.722 631 1HG GLU 82 HG2 GLU 82 -5.130 -12.384 -5.941 632 2HG GLU 82 HG1 GLU 82 -3.729 -13.190 -6.646 633 H GLN 83 HN GLN 83 -2.539 -14.535 -7.178 634 HA GLN 83 HA GLN 83 -2.446 -17.305 -8.132 635 1HB GLN 83 HB2 GLN 83 -3.159 -15.011 -9.432 636 2HB GLN 83 HB1 GLN 83 -1.475 -15.167 -9.909 637 1HG GLN 83 HG2 GLN 83 -2.515 -17.718 -10.222 638 2HG GLN 83 HG1 GLN 83 -3.794 -16.646 -10.790 639 1HE2 GLN 83 HE21 GLN 83 -3.262 -15.111 -12.452 640 2HE2 GLN 83 HE22 GLN 83 -2.008 -15.470 -13.585 641 H ASN 84 HN ASN 84 -0.601 -15.546 -6.235 642 HA ASN 84 HA ASN 84 1.548 -15.749 -5.558 643 1HB ASN 84 HB2 ASN 84 2.140 -17.474 -7.961 644 2HB ASN 84 HB1 ASN 84 2.988 -17.432 -6.419 645 1HD2 ASN 84 HD21 ASN 84 1.215 -17.737 -4.542 646 2HD2 ASN 84 HD22 ASN 84 0.289 -19.183 -4.730 647 H THR 85 HN THR 85 0.430 -13.907 -7.654 648 HA THR 85 HA THR 85 2.728 -13.234 -9.261 649 HB THR 85 HB THR 85 0.898 -11.145 -9.479 650 HG1 THR 85 HG1 THR 85 -1.088 -12.121 -9.613 651 1HG2 THR 85 HG21 THR 85 1.737 -13.409 -11.105 652 2HG2 THR 85 HG22 THR 85 1.459 -11.726 -11.551 653 3HG2 THR 85 HG23 THR 85 0.102 -12.848 -11.452 654 H LEU 86 HN LEU 86 1.481 -12.445 -6.183 655 HA LEU 86 HA LEU 86 1.940 -9.933 -5.525 656 1HB LEU 86 HB2 LEU 86 1.589 -11.911 -3.986 657 2HB LEU 86 HB1 LEU 86 3.329 -12.112 -3.987 658 HG LEU 86 HG LEU 86 2.340 -10.875 -2.019 659 1HD1 LEU 86 HD11 LEU 86 4.301 -9.795 -1.714 660 2HD1 LEU 86 HD12 LEU 86 4.248 -9.020 -3.297 661 3HD1 LEU 86 HD13 LEU 86 4.753 -10.704 -3.155 662 1HD2 LEU 86 HD21 LEU 86 0.958 -9.463 -3.858 663 2HD2 LEU 86 HD22 LEU 86 2.318 -8.376 -3.572 664 3HD2 LEU 86 HD23 LEU 86 1.300 -8.889 -2.226 665 H GLN 87 HN GLN 87 4.637 -12.187 -6.117 666 HA GLN 87 HA GLN 87 6.718 -10.422 -5.512 667 1HB GLN 87 HB2 GLN 87 7.261 -12.721 -5.804 668 2HB GLN 87 HB1 GLN 87 6.577 -12.750 -7.424 669 1HG GLN 87 HG2 GLN 87 8.364 -11.472 -8.305 670 2HG GLN 87 HG1 GLN 87 8.958 -11.070 -6.696 671 1HE2 GLN 87 HE21 GLN 87 8.511 -13.703 -8.983 672 2HE2 GLN 87 HE22 GLN 87 9.792 -14.693 -8.380 673 H GLU 88 HN GLU 88 5.318 -11.189 -8.697 674 HA GLU 88 HA GLU 88 6.727 -9.511 -10.313 675 1HB GLU 88 HB2 GLU 88 4.595 -11.088 -10.697 676 2HB GLU 88 HB1 GLU 88 3.791 -9.525 -10.748 677 1HG GLU 88 HG2 GLU 88 6.241 -9.771 -12.365 678 2HG GLU 88 HG1 GLU 88 4.857 -10.728 -12.892 679 H PHE 89 HN PHE 89 4.411 -8.617 -7.895 680 HA PHE 89 HA PHE 89 4.305 -5.864 -8.857 681 1HB PHE 89 HB2 PHE 89 2.193 -6.933 -8.212 682 2HB PHE 89 HB1 PHE 89 2.826 -7.227 -6.597 683 HD1 PHE 89 HD1 PHE 89 3.566 -5.122 -5.265 684 HD2 PHE 89 HD2 PHE 89 0.964 -5.035 -8.630 685 HE1 PHE 89 HE1 PHE 89 2.689 -2.946 -4.526 686 HE2 PHE 89 HE2 PHE 89 0.084 -2.859 -7.899 687 HZ PHE 89 HZ PHE 89 0.947 -1.810 -5.845 688 H LEU 90 HN LEU 90 5.758 -7.807 -6.379 689 HA LEU 90 HA LEU 90 6.608 -5.421 -4.907 690 1HB LEU 90 HB2 LEU 90 6.341 -8.300 -4.260 691 2HB LEU 90 HB1 LEU 90 7.632 -7.428 -3.457 692 HG LEU 90 HG LEU 90 4.679 -6.831 -3.308 693 1HD1 LEU 90 HD11 LEU 90 6.063 -8.667 -1.915 694 2HD1 LEU 90 HD12 LEU 90 4.688 -7.777 -1.263 695 3HD1 LEU 90 HD13 LEU 90 6.331 -7.247 -0.905 696 1HD2 LEU 90 HD21 LEU 90 5.557 -4.698 -3.251 697 2HD2 LEU 90 HD22 LEU 90 7.064 -5.224 -2.501 698 3HD2 LEU 90 HD23 LEU 90 5.585 -5.144 -1.545 699 H LYS 91 HN LYS 91 8.236 -8.509 -5.627 700 HA LYS 91 HA LYS 91 10.736 -7.056 -5.982 701 1HB LYS 91 HB2 LYS 91 10.511 -10.034 -6.186 702 2HB LYS 91 HB1 LYS 91 11.853 -9.058 -5.609 703 1HG LYS 91 HG2 LYS 91 10.576 -8.506 -3.592 704 2HG LYS 91 HG1 LYS 91 9.247 -9.514 -4.170 705 1HD LYS 91 HD2 LYS 91 11.063 -11.369 -4.309 706 2HD LYS 91 HD1 LYS 91 11.963 -10.324 -3.208 707 1HE LYS 91 HE2 LYS 91 9.138 -10.839 -2.514 708 2HE LYS 91 HE1 LYS 91 10.235 -12.214 -2.387 709 1HZ LYS 91 HZ1 LYS 91 11.646 -10.928 -0.926 710 2HZ LYS 91 HZ2 LYS 91 10.072 -10.974 -0.308 711 3HZ LYS 91 HZ3 LYS 91 10.636 -9.578 -1.078 712 H LEU 92 HN LEU 92 8.248 -7.946 -7.959 713 HA LEU 92 HA LEU 92 7.996 -8.117 -10.200 714 1HB LEU 92 HB2 LEU 92 10.830 -7.136 -10.433 715 2HB LEU 92 HB1 LEU 92 9.548 -6.993 -11.620 716 HG LEU 92 HG LEU 92 9.625 -4.856 -10.756 717 1HD1 LEU 92 HD11 LEU 92 7.654 -6.326 -9.010 718 2HD1 LEU 92 HD12 LEU 92 7.348 -5.604 -10.590 719 3HD1 LEU 92 HD13 LEU 92 7.710 -4.574 -9.206 720 1HD2 LEU 92 HD21 LEU 92 9.725 -5.651 -7.895 721 2HD2 LEU 92 HD22 LEU 92 10.389 -4.227 -8.698 722 3HD2 LEU 92 HD23 LEU 92 11.198 -5.787 -8.855 723 H ALA 93 HN ALA 93 11.465 -8.849 -10.047 724 HA ALA 93 HA ALA 93 10.919 -11.646 -10.664 725 1HB ALA 93 HB1 ALA 93 12.938 -10.323 -12.397 726 2HB ALA 93 HB2 ALA 93 11.232 -10.093 -12.779 727 3HB ALA 93 HB3 ALA 93 11.910 -11.720 -12.719 728 H LEU 94 HN LEU 94 13.426 -9.173 -10.189 729 HA LEU 94 HA LEU 94 15.303 -9.153 -8.901 730 1HB LEU 94 HB2 LEU 94 13.668 -10.405 -7.313 731 2HB LEU 94 HB1 LEU 94 14.587 -11.830 -7.759 732 HG LEU 94 HG LEU 94 16.630 -10.272 -7.052 733 1HD1 LEU 94 HD11 LEU 94 14.741 -9.385 -4.958 734 2HD1 LEU 94 HD12 LEU 94 14.685 -8.528 -6.499 735 3HD1 LEU 94 HD13 LEU 94 16.193 -8.604 -5.587 736 1HD2 LEU 94 HD21 LEU 94 16.607 -12.228 -5.912 737 2HD2 LEU 94 HD22 LEU 94 14.880 -12.134 -5.564 738 3HD2 LEU 94 HD23 LEU 94 16.024 -11.187 -4.613 739 H GLU 95 HN GLU 95 14.792 -12.620 -9.578 740 HA GLU 95 HA GLU 95 17.544 -12.821 -10.508 741 1HB GLU 95 HB2 GLU 95 15.436 -14.752 -9.672 742 2HB GLU 95 HB1 GLU 95 16.666 -15.318 -10.794 743 1HG GLU 95 HG2 GLU 95 17.402 -13.937 -8.242 744 2HG GLU 95 HG1 GLU 95 17.051 -15.664 -8.290 Start of MODEL 14 1 1H MET 1 HT1 MET 1 20.504 -2.345 -2.754 2 2H MET 1 HT2 MET 1 19.298 -3.561 -2.872 3 3H MET 1 HT3 MET 1 20.499 -3.656 -1.649 4 HA MET 1 HA MET 1 18.596 -2.927 -0.601 5 1HB MET 1 HB2 MET 1 20.688 -1.754 -0.040 6 2HB MET 1 HB1 MET 1 20.347 -0.553 -1.279 7 1HG MET 1 HG2 MET 1 18.085 -0.389 0.164 8 2HG MET 1 HG1 MET 1 19.224 -0.866 1.423 9 1HE MET 1 HE1 MET 1 20.797 1.840 2.610 10 2HE MET 1 HE2 MET 1 19.587 0.575 2.824 11 3HE MET 1 HE3 MET 1 19.084 2.256 2.644 12 H SER 2 HN SER 2 16.541 -2.622 -1.140 13 HA SER 2 HA SER 2 15.884 -0.441 -3.002 14 1HB SER 2 HB2 SER 2 13.942 -1.955 -3.749 15 2HB SER 2 HB1 SER 2 15.553 -2.352 -4.346 16 HG SER 2 HG SER 2 15.653 -4.053 -2.992 17 H GLY 3 HN GLY 3 13.967 0.673 -2.596 18 1HA GLY 3 HA2 GLY 3 12.865 0.209 0.099 19 2HA GLY 3 HA1 GLY 3 12.898 1.762 -0.722 20 H LEU 4 HN LEU 4 10.561 1.322 0.230 21 HA LEU 4 HA LEU 4 8.906 0.833 -2.085 22 1HB LEU 4 HB2 LEU 4 9.358 -1.340 -0.535 23 2HB LEU 4 HB1 LEU 4 7.957 -0.666 0.276 24 HG LEU 4 HG LEU 4 7.194 -2.294 -1.302 25 1HD1 LEU 4 HD11 LEU 4 5.995 -0.060 -1.080 26 2HD1 LEU 4 HD12 LEU 4 5.616 -1.038 -2.498 27 3HD1 LEU 4 HD13 LEU 4 6.700 0.345 -2.645 28 1HD2 LEU 4 HD21 LEU 4 7.655 -1.806 -3.791 29 2HD2 LEU 4 HD22 LEU 4 8.918 -2.580 -2.834 30 3HD2 LEU 4 HD23 LEU 4 9.017 -0.856 -3.195 31 H ARG 5 HN ARG 5 7.224 2.192 -2.091 32 HA ARG 5 HA ARG 5 6.679 3.689 0.375 33 1HB ARG 5 HB2 ARG 5 7.369 4.855 -1.796 34 2HB ARG 5 HB1 ARG 5 5.768 4.443 -2.394 35 1HG ARG 5 HG2 ARG 5 5.009 6.306 -1.477 36 2HG ARG 5 HG1 ARG 5 5.352 5.614 0.110 37 1HD ARG 5 HD2 ARG 5 7.131 7.366 -1.572 38 2HD ARG 5 HD1 ARG 5 6.443 7.726 0.011 39 HE ARG 5 HE ARG 5 8.027 5.438 0.251 40 1HH1 ARG 5 HH11 ARG 5 8.397 8.843 -0.416 41 2HH1 ARG 5 HH12 ARG 5 9.997 8.926 0.243 42 1HH2 ARG 5 HH21 ARG 5 10.131 5.545 1.118 43 2HH2 ARG 5 HH22 ARG 5 10.981 7.054 1.113 44 H VAL 6 HN VAL 6 5.061 2.823 1.499 45 HA VAL 6 HA VAL 6 2.642 1.982 0.036 46 HB VAL 6 HB VAL 6 3.532 0.953 2.732 47 1HG1 VAL 6 HG11 VAL 6 1.825 -0.768 2.341 48 2HG1 VAL 6 HG12 VAL 6 1.374 0.033 0.835 49 3HG1 VAL 6 HG13 VAL 6 1.130 0.853 2.377 50 1HG2 VAL 6 HG21 VAL 6 3.966 -0.130 -0.033 51 2HG2 VAL 6 HG22 VAL 6 3.934 -1.186 1.379 52 3HG2 VAL 6 HG23 VAL 6 5.140 0.096 1.264 53 H TYR 7 HN TYR 7 0.910 3.202 0.383 54 HA TYR 7 HA TYR 7 0.931 5.156 2.523 55 1HB TYR 7 HB2 TYR 7 -0.807 4.672 0.125 56 2HB TYR 7 HB1 TYR 7 -1.352 5.742 1.413 57 HD1 TYR 7 HD1 TYR 7 -0.400 7.918 1.698 58 HD2 TYR 7 HD2 TYR 7 1.200 5.246 -1.200 59 HE1 TYR 7 HE1 TYR 7 0.888 9.767 0.714 60 HE2 TYR 7 HE2 TYR 7 2.493 7.088 -2.192 61 HH TYR 7 HH TYR 7 1.923 10.085 -1.933 62 H SER 8 HN SER 8 -0.673 5.384 4.099 63 HA SER 8 HA SER 8 -2.715 3.388 4.433 64 1HB SER 8 HB2 SER 8 -0.159 3.227 5.940 65 2HB SER 8 HB1 SER 8 -1.641 2.964 6.859 66 HG SER 8 HG SER 8 -0.507 1.118 5.665 67 H THR 9 HN THR 9 -3.698 3.689 6.768 68 HA THR 9 HA THR 9 -3.681 6.559 7.422 69 HB THR 9 HB THR 9 -5.678 6.160 6.134 70 HG1 THR 9 HG1 THR 9 -5.824 7.400 8.139 71 1HG2 THR 9 HG21 THR 9 -6.561 4.085 8.108 72 2HG2 THR 9 HG22 THR 9 -5.766 3.676 6.587 73 3HG2 THR 9 HG23 THR 9 -7.307 4.534 6.575 74 H SER 10 HN SER 10 -2.716 6.606 9.357 75 HA SER 10 HA SER 10 -2.825 4.529 11.270 76 1HB SER 10 HB2 SER 10 -2.248 7.357 12.072 77 2HB SER 10 HB1 SER 10 -1.462 5.866 12.589 78 HG SER 10 HG SER 10 -0.153 7.086 11.158 79 H VAL 11 HN VAL 11 -4.532 7.632 11.026 80 HA VAL 11 HA VAL 11 -6.044 7.187 13.426 81 HB VAL 11 HB VAL 11 -6.618 9.189 11.241 82 1HG1 VAL 11 HG11 VAL 11 -7.180 9.798 14.064 83 2HG1 VAL 11 HG12 VAL 11 -8.175 8.530 13.348 84 3HG1 VAL 11 HG13 VAL 11 -8.130 10.134 12.617 85 1HG2 VAL 11 HG21 VAL 11 -4.517 9.112 13.310 86 2HG2 VAL 11 HG22 VAL 11 -5.388 10.636 13.147 87 3HG2 VAL 11 HG23 VAL 11 -4.552 9.946 11.756 88 H THR 12 HN THR 12 -6.501 6.612 10.010 89 HA THR 12 HA THR 12 -8.110 5.514 8.836 90 HB THR 12 HB THR 12 -9.292 4.463 11.381 91 HG1 THR 12 HG1 THR 12 -7.608 3.026 11.580 92 1HG2 THR 12 HG21 THR 12 -9.250 3.672 8.596 93 2HG2 THR 12 HG22 THR 12 -10.312 3.159 9.907 94 3HG2 THR 12 HG23 THR 12 -8.750 2.372 9.678 95 H GLY 13 HN GLY 13 -10.377 5.546 8.289 96 1HA GLY 13 HA2 GLY 13 -11.985 7.465 9.836 97 2HA GLY 13 HA1 GLY 13 -11.745 7.728 8.116 98 H SER 14 HN SER 14 -12.112 4.540 9.501 99 HA SER 14 HA SER 14 -14.919 4.334 9.058 100 1HB SER 14 HB2 SER 14 -13.530 4.213 6.723 101 2HB SER 14 HB1 SER 14 -13.546 2.510 7.182 102 HG SER 14 HG SER 14 -15.534 4.006 6.172 103 H ARG 15 HN ARG 15 -15.212 1.649 8.633 104 HA ARG 15 HA ARG 15 -13.825 0.499 10.941 105 1HB ARG 15 HB2 ARG 15 -16.366 0.832 11.001 106 2HB ARG 15 HB1 ARG 15 -16.428 -0.494 9.848 107 1HG ARG 15 HG2 ARG 15 -16.195 -2.006 11.455 108 2HG ARG 15 HG1 ARG 15 -14.790 -1.175 12.124 109 1HD ARG 15 HD2 ARG 15 -17.659 -0.402 12.642 110 2HD ARG 15 HD1 ARG 15 -16.670 -1.378 13.727 111 HE ARG 15 HE ARG 15 -15.184 0.851 13.399 112 1HH1 ARG 15 HH11 ARG 15 -18.522 0.336 14.281 113 2HH1 ARG 15 HH12 ARG 15 -18.615 1.766 15.253 114 1HH2 ARG 15 HH21 ARG 15 -15.306 2.731 14.678 115 2HH2 ARG 15 HH22 ARG 15 -16.790 3.126 15.479 116 H GLU 16 HN GLU 16 -14.214 0.297 7.685 117 HA GLU 16 HA GLU 16 -13.363 -2.500 7.517 118 1HB GLU 16 HB2 GLU 16 -14.525 -0.584 5.511 119 2HB GLU 16 HB1 GLU 16 -13.720 -2.060 4.997 120 1HG GLU 16 HG2 GLU 16 -15.723 -3.008 5.167 121 2HG GLU 16 HG1 GLU 16 -15.444 -2.978 6.908 122 H ILE 17 HN ILE 17 -12.364 0.771 6.796 123 HA ILE 17 HA ILE 17 -10.133 0.272 5.199 124 HB ILE 17 HB ILE 17 -10.469 2.480 7.236 125 1HG1 ILE 17 HG12 ILE 17 -11.167 2.414 4.291 126 2HG1 ILE 17 HG11 ILE 17 -12.327 2.359 5.615 127 1HG2 ILE 17 HG21 ILE 17 -8.465 1.937 5.119 128 2HG2 ILE 17 HG22 ILE 17 -8.277 2.732 6.682 129 3HG2 ILE 17 HG23 ILE 17 -8.997 3.605 5.330 130 1HD1 ILE 17 HD11 ILE 17 -11.384 4.594 6.339 131 2HD1 ILE 17 HD12 ILE 17 -12.329 4.573 4.851 132 3HD1 ILE 17 HD13 ILE 17 -10.568 4.636 4.777 133 H LYS 18 HN LYS 18 -10.577 0.003 8.655 134 HA LYS 18 HA LYS 18 -7.848 -0.085 9.393 135 1HB LYS 18 HB2 LYS 18 -10.167 -1.414 10.802 136 2HB LYS 18 HB1 LYS 18 -8.619 -0.968 11.507 137 1HG LYS 18 HG2 LYS 18 -9.138 1.272 11.572 138 2HG LYS 18 HG1 LYS 18 -10.333 1.141 10.279 139 1HD LYS 18 HD2 LYS 18 -11.978 0.395 11.690 140 2HD LYS 18 HD1 LYS 18 -10.831 -0.326 12.820 141 1HE LYS 18 HE2 LYS 18 -10.154 1.964 13.504 142 2HE LYS 18 HE1 LYS 18 -11.424 2.609 12.465 143 1HZ LYS 18 HZ1 LYS 18 -11.782 2.083 15.035 144 2HZ LYS 18 HZ2 LYS 18 -12.240 0.588 14.391 145 3HZ LYS 18 HZ3 LYS 18 -13.033 1.999 13.899 146 H SER 19 HN SER 19 -10.061 -2.463 8.129 147 HA SER 19 HA SER 19 -8.388 -4.717 8.771 148 1HB SER 19 HB2 SER 19 -10.043 -6.054 7.767 149 2HB SER 19 HB1 SER 19 -10.952 -4.708 8.456 150 HG SER 19 HG SER 19 -10.434 -5.337 5.791 151 H GLN 20 HN GLN 20 -8.831 -2.555 6.068 152 HA GLN 20 HA GLN 20 -7.564 -4.106 4.083 153 1HB GLN 20 HB2 GLN 20 -7.511 -1.095 4.192 154 2HB GLN 20 HB1 GLN 20 -7.497 -2.130 2.771 155 1HG GLN 20 HG2 GLN 20 -9.792 -1.598 4.635 156 2HG GLN 20 HG1 GLN 20 -9.652 -1.153 2.936 157 1HE2 GLN 20 HE21 GLN 20 -11.772 -2.628 4.119 158 2HE2 GLN 20 HE22 GLN 20 -11.789 -4.194 3.389 159 H GLN 21 HN GLN 21 -6.274 -1.343 5.939 160 HA GLN 21 HA GLN 21 -3.624 -1.614 5.090 161 1HB GLN 21 HB2 GLN 21 -3.080 -0.311 7.184 162 2HB GLN 21 HB1 GLN 21 -4.272 0.426 6.122 163 1HG GLN 21 HG2 GLN 21 -5.917 0.268 7.638 164 2HG GLN 21 HG1 GLN 21 -5.374 -1.304 8.221 165 1HE2 GLN 21 HE21 GLN 21 -5.749 1.858 9.032 166 2HE2 GLN 21 HE22 GLN 21 -4.624 1.958 10.339 167 H SER 22 HN SER 22 -5.412 -3.236 7.612 168 HA SER 22 HA SER 22 -3.164 -4.327 8.973 169 1HB SER 22 HB2 SER 22 -6.109 -4.735 9.021 170 2HB SER 22 HB1 SER 22 -5.111 -6.050 9.642 171 HG SER 22 HG SER 22 -4.766 -3.366 10.465 172 H GLU 23 HN GLU 23 -5.333 -5.548 6.453 173 HA GLU 23 HA GLU 23 -4.327 -8.154 6.301 174 1HB GLU 23 HB2 GLU 23 -6.347 -6.843 5.084 175 2HB GLU 23 HB1 GLU 23 -5.181 -6.878 3.768 176 1HG GLU 23 HG2 GLU 23 -5.454 -9.068 3.418 177 2HG GLU 23 HG1 GLU 23 -5.513 -9.438 5.140 178 H VAL 24 HN VAL 24 -3.489 -5.306 4.328 179 HA VAL 24 HA VAL 24 -1.467 -6.535 2.828 180 HB VAL 24 HB VAL 24 -1.540 -3.619 3.604 181 1HG1 VAL 24 HG11 VAL 24 0.494 -4.076 2.522 182 2HG1 VAL 24 HG12 VAL 24 -0.553 -3.422 1.263 183 3HG1 VAL 24 HG13 VAL 24 -0.270 -5.160 1.360 184 1HG2 VAL 24 HG21 VAL 24 -2.808 -3.384 1.417 185 2HG2 VAL 24 HG22 VAL 24 -3.705 -4.060 2.777 186 3HG2 VAL 24 HG23 VAL 24 -3.090 -5.123 1.511 187 H THR 25 HN THR 25 -1.275 -4.624 5.819 188 HA THR 25 HA THR 25 1.513 -4.697 6.101 189 HB THR 25 HB THR 25 1.013 -4.289 8.550 190 HG1 THR 25 HG1 THR 25 -1.148 -3.982 9.094 191 1HG2 THR 25 HG21 THR 25 -0.634 -2.235 7.778 192 2HG2 THR 25 HG22 THR 25 0.271 -2.604 6.310 193 3HG2 THR 25 HG23 THR 25 1.129 -2.206 7.798 194 H ARG 26 HN ARG 26 -0.979 -6.996 6.992 195 HA ARG 26 HA ARG 26 0.498 -8.623 8.721 196 1HB ARG 26 HB2 ARG 26 -1.908 -8.998 7.008 197 2HB ARG 26 HB1 ARG 26 -1.122 -10.441 7.634 198 1HG ARG 26 HG2 ARG 26 -1.277 -8.883 9.865 199 2HG ARG 26 HG1 ARG 26 -2.752 -8.439 9.004 200 1HD ARG 26 HD2 ARG 26 -3.525 -10.242 10.167 201 2HD ARG 26 HD1 ARG 26 -2.946 -11.059 8.716 202 HE ARG 26 HE ARG 26 -0.938 -10.869 10.742 203 1HH1 ARG 26 HH11 ARG 26 -3.720 -12.697 9.694 204 2HH1 ARG 26 HH12 ARG 26 -3.220 -14.152 10.490 205 1HH2 ARG 26 HH21 ARG 26 -0.279 -12.781 11.789 206 2HH2 ARG 26 HH22 ARG 26 -1.267 -14.200 11.680 207 H ILE 27 HN ILE 27 -0.090 -9.066 5.228 208 HA ILE 27 HA ILE 27 1.677 -11.247 4.943 209 HB ILE 27 HB ILE 27 0.878 -9.290 2.787 210 1HG1 ILE 27 HG12 ILE 27 -0.554 -11.867 3.099 211 2HG1 ILE 27 HG11 ILE 27 -0.906 -10.634 4.306 212 1HG2 ILE 27 HG21 ILE 27 2.644 -10.683 2.028 213 2HG2 ILE 27 HG22 ILE 27 1.153 -11.327 1.340 214 3HG2 ILE 27 HG23 ILE 27 1.899 -12.121 2.728 215 1HD1 ILE 27 HD11 ILE 27 -1.258 -10.433 1.330 216 2HD1 ILE 27 HD12 ILE 27 -1.414 -9.066 2.433 217 3HD1 ILE 27 HD13 ILE 27 -2.511 -10.440 2.570 218 H LEU 28 HN LEU 28 2.083 -7.791 4.195 219 HA LEU 28 HA LEU 28 4.703 -7.904 3.256 220 1HB LEU 28 HB2 LEU 28 2.802 -5.915 3.892 221 2HB LEU 28 HB1 LEU 28 4.275 -5.485 4.739 222 HG LEU 28 HG LEU 28 5.519 -5.481 2.659 223 1HD1 LEU 28 HD11 LEU 28 3.184 -5.726 0.912 224 2HD1 LEU 28 HD12 LEU 28 3.650 -7.220 1.724 225 3HD1 LEU 28 HD13 LEU 28 4.818 -6.359 0.722 226 1HD2 LEU 28 HD21 LEU 28 3.760 -3.596 3.451 227 2HD2 LEU 28 HD22 LEU 28 3.170 -3.921 1.821 228 3HD2 LEU 28 HD23 LEU 28 4.842 -3.415 2.069 229 H ASP 29 HN ASP 29 3.642 -6.922 6.514 230 HA ASP 29 HA ASP 29 6.189 -6.856 7.667 231 1HB ASP 29 HB2 ASP 29 3.861 -6.030 8.559 232 2HB ASP 29 HB1 ASP 29 3.792 -7.630 9.291 233 H GLY 30 HN GLY 30 3.766 -9.454 7.576 234 1HA GLY 30 HA2 GLY 30 5.145 -11.332 9.125 235 2HA GLY 30 HA1 GLY 30 3.972 -11.722 7.874 236 H LYS 31 HN LYS 31 5.549 -10.387 5.788 237 HA LYS 31 HA LYS 31 7.266 -12.613 5.146 238 1HB LYS 31 HB2 LYS 31 6.422 -10.124 3.685 239 2HB LYS 31 HB1 LYS 31 7.687 -11.169 3.051 240 1HG LYS 31 HG2 LYS 31 6.172 -13.012 2.884 241 2HG LYS 31 HG1 LYS 31 4.907 -12.108 3.719 242 1HD LYS 31 HD2 LYS 31 4.278 -11.867 1.511 243 2HD LYS 31 HD1 LYS 31 5.226 -10.402 1.775 244 1HE LYS 31 HE2 LYS 31 7.150 -12.156 0.990 245 2HE LYS 31 HE1 LYS 31 5.764 -12.722 0.058 246 1HZ LYS 31 HZ1 LYS 31 5.616 -10.076 -0.313 247 2HZ LYS 31 HZ2 LYS 31 6.411 -11.135 -1.365 248 3HZ LYS 31 HZ3 LYS 31 7.292 -10.280 -0.202 249 H ARG 32 HN ARG 32 7.691 -9.857 6.941 250 HA ARG 32 HA ARG 32 9.509 -8.785 7.776 251 1HB ARG 32 HB2 ARG 32 10.727 -11.304 6.710 252 2HB ARG 32 HB1 ARG 32 11.777 -10.018 7.289 253 1HG ARG 32 HG2 ARG 32 11.141 -10.285 9.464 254 2HG ARG 32 HG1 ARG 32 9.545 -10.905 9.037 255 1HD ARG 32 HD2 ARG 32 10.340 -12.938 9.474 256 2HD ARG 32 HD1 ARG 32 11.298 -12.786 8.003 257 HE ARG 32 HE ARG 32 12.245 -12.646 10.717 258 1HH1 ARG 32 HH11 ARG 32 12.900 -11.777 7.401 259 2HH1 ARG 32 HH12 ARG 32 14.608 -11.636 7.645 260 1HH2 ARG 32 HH21 ARG 32 14.491 -12.462 11.038 261 2HH2 ARG 32 HH22 ARG 32 15.512 -12.026 9.708 262 H ILE 33 HN ILE 33 8.530 -7.776 5.435 263 HA ILE 33 HA ILE 33 10.731 -7.330 3.606 264 HB ILE 33 HB ILE 33 7.986 -6.077 3.558 265 1HG1 ILE 33 HG12 ILE 33 9.000 -8.593 2.218 266 2HG1 ILE 33 HG11 ILE 33 7.773 -8.503 3.477 267 1HG2 ILE 33 HG21 ILE 33 8.536 -5.846 1.114 268 2HG2 ILE 33 HG22 ILE 33 10.190 -6.302 1.522 269 3HG2 ILE 33 HG23 ILE 33 9.487 -4.835 2.203 270 1HD1 ILE 33 HD11 ILE 33 6.938 -8.835 1.131 271 2HD1 ILE 33 HD12 ILE 33 7.459 -7.183 0.801 272 3HD1 ILE 33 HD13 ILE 33 6.221 -7.491 2.018 273 H GLN 34 HN GLN 34 11.396 -5.188 3.007 274 HA GLN 34 HA GLN 34 11.475 -3.384 5.324 275 1HB GLN 34 HB2 GLN 34 13.368 -3.981 3.097 276 2HB GLN 34 HB1 GLN 34 13.391 -2.366 3.792 277 1HG GLN 34 HG2 GLN 34 13.407 -4.507 5.778 278 2HG GLN 34 HG1 GLN 34 14.807 -4.509 4.706 279 1HE2 GLN 34 HE21 GLN 34 12.855 -1.893 6.089 280 2HE2 GLN 34 HE22 GLN 34 14.174 -1.078 6.851 281 H TYR 35 HN TYR 35 9.144 -3.146 4.141 282 HA TYR 35 HA TYR 35 9.250 -1.102 2.074 283 1HB TYR 35 HB2 TYR 35 6.908 -1.432 1.815 284 2HB TYR 35 HB1 TYR 35 7.608 -3.031 2.039 285 HD1 TYR 35 HD1 TYR 35 7.457 -4.088 4.358 286 HD2 TYR 35 HD2 TYR 35 5.204 -0.662 3.228 287 HE1 TYR 35 HE1 TYR 35 5.905 -4.502 6.218 288 HE2 TYR 35 HE2 TYR 35 3.645 -1.065 5.086 289 HH TYR 35 HH TYR 35 2.977 -3.368 6.460 290 H GLN 36 HN GLN 36 8.179 0.929 2.272 291 HA GLN 36 HA GLN 36 8.420 2.064 4.938 292 1HB GLN 36 HB2 GLN 36 9.285 3.067 2.666 293 2HB GLN 36 HB1 GLN 36 7.629 3.631 2.506 294 1HG GLN 36 HG2 GLN 36 9.253 5.270 3.479 295 2HG GLN 36 HG1 GLN 36 7.799 4.984 4.431 296 1HE2 GLN 36 HE21 GLN 36 11.210 4.820 4.327 297 2HE2 GLN 36 HE22 GLN 36 11.461 4.218 5.926 298 H LEU 37 HN LEU 37 6.663 3.828 5.420 299 HA LEU 37 HA LEU 37 4.021 2.899 4.600 300 1HB LEU 37 HB2 LEU 37 4.928 1.989 6.884 301 2HB LEU 37 HB1 LEU 37 4.477 3.576 7.468 302 HG LEU 37 HG LEU 37 2.172 3.020 6.356 303 1HD1 LEU 37 HD11 LEU 37 3.307 0.268 6.830 304 2HD1 LEU 37 HD12 LEU 37 2.903 0.969 5.263 305 3HD1 LEU 37 HD13 LEU 37 1.629 0.643 6.437 306 1HD2 LEU 37 HD21 LEU 37 2.656 1.419 8.809 307 2HD2 LEU 37 HD22 LEU 37 1.377 2.578 8.446 308 3HD2 LEU 37 HD23 LEU 37 2.990 3.150 8.871 309 H VAL 38 HN VAL 38 4.060 4.789 3.342 310 HA VAL 38 HA VAL 38 4.295 7.358 4.615 311 HB VAL 38 HB VAL 38 3.433 8.212 2.367 312 1HG1 VAL 38 HG11 VAL 38 5.571 8.383 1.688 313 2HG1 VAL 38 HG12 VAL 38 5.842 6.642 1.754 314 3HG1 VAL 38 HG13 VAL 38 5.921 7.603 3.231 315 1HG2 VAL 38 HG21 VAL 38 3.450 6.712 0.495 316 2HG2 VAL 38 HG22 VAL 38 2.351 6.070 1.714 317 3HG2 VAL 38 HG23 VAL 38 3.955 5.367 1.516 318 H ASP 39 HN ASP 39 2.717 6.998 6.234 319 HA ASP 39 HA ASP 39 -0.052 6.682 5.517 320 1HB ASP 39 HB2 ASP 39 -0.420 7.157 7.980 321 2HB ASP 39 HB1 ASP 39 0.598 5.766 7.618 322 H ILE 40 HN ILE 40 -1.343 8.219 4.826 323 HA ILE 40 HA ILE 40 -0.563 10.978 4.859 324 HB ILE 40 HB ILE 40 -2.664 11.396 3.679 325 1HG1 ILE 40 HG12 ILE 40 -3.203 8.437 4.018 326 2HG1 ILE 40 HG11 ILE 40 -4.011 9.705 4.935 327 1HG2 ILE 40 HG21 ILE 40 -1.357 10.866 1.955 328 2HG2 ILE 40 HG22 ILE 40 -2.138 9.286 1.969 329 3HG2 ILE 40 HG23 ILE 40 -0.617 9.526 2.829 330 1HD1 ILE 40 HD11 ILE 40 -4.630 10.624 2.583 331 2HD1 ILE 40 HD12 ILE 40 -5.532 9.274 3.275 332 3HD1 ILE 40 HD13 ILE 40 -4.286 8.974 2.063 333 H SER 41 HN SER 41 -2.036 9.040 7.145 334 HA SER 41 HA SER 41 -3.958 10.907 8.159 335 1HB SER 41 HB2 SER 41 -3.530 8.225 8.526 336 2HB SER 41 HB1 SER 41 -2.917 8.893 10.038 337 HG SER 41 HG SER 41 -5.483 9.362 8.917 338 H GLN 42 HN GLN 42 -0.570 10.381 8.532 339 HA GLN 42 HA GLN 42 -0.146 11.571 11.040 340 1HB GLN 42 HB2 GLN 42 1.457 10.223 9.492 341 2HB GLN 42 HB1 GLN 42 1.826 11.791 8.790 342 1HG GLN 42 HG2 GLN 42 1.936 11.712 11.715 343 2HG GLN 42 HG1 GLN 42 3.114 10.682 10.903 344 1HE2 GLN 42 HE21 GLN 42 1.892 13.973 11.124 345 2HE2 GLN 42 HE22 GLN 42 3.351 14.746 10.616 346 H ASP 43 HN ASP 43 0.125 12.964 7.767 347 HA ASP 43 HA ASP 43 -0.212 15.629 8.981 348 1HB ASP 43 HB2 ASP 43 2.011 14.897 7.710 349 2HB ASP 43 HB1 ASP 43 1.058 15.347 6.299 350 H ASN 44 HN ASN 44 -0.952 17.246 7.163 351 HA ASN 44 HA ASN 44 -3.376 16.076 6.005 352 1HB ASN 44 HB2 ASN 44 -2.640 18.752 7.048 353 2HB ASN 44 HB1 ASN 44 -3.747 18.724 5.678 354 1HD2 ASN 44 HD21 ASN 44 -3.249 17.648 8.972 355 2HD2 ASN 44 HD22 ASN 44 -4.917 17.390 9.342 356 H ALA 45 HN ALA 45 -0.303 17.171 5.084 357 HA ALA 45 HA ALA 45 -1.042 18.121 2.464 358 1HB ALA 45 HB1 ALA 45 1.139 18.741 2.213 359 2HB ALA 45 HB2 ALA 45 1.756 17.341 3.090 360 3HB ALA 45 HB3 ALA 45 1.052 18.695 3.974 361 H LEU 46 HN LEU 46 -0.023 15.105 3.896 362 HA LEU 46 HA LEU 46 0.745 13.790 1.515 363 1HB LEU 46 HB2 LEU 46 -0.178 12.812 4.204 364 2HB LEU 46 HB1 LEU 46 0.198 11.700 2.902 365 HG LEU 46 HG LEU 46 2.284 13.700 3.523 366 1HD1 LEU 46 HD11 LEU 46 3.012 12.786 5.527 367 2HD1 LEU 46 HD12 LEU 46 2.026 11.336 5.339 368 3HD1 LEU 46 HD13 LEU 46 1.264 12.875 5.742 369 1HD2 LEU 46 HD21 LEU 46 3.607 11.472 3.376 370 2HD2 LEU 46 HD22 LEU 46 2.926 12.174 1.909 371 3HD2 LEU 46 HD23 LEU 46 2.108 10.830 2.705 372 H ARG 47 HN ARG 47 -2.333 14.339 3.075 373 HA ARG 47 HA ARG 47 -3.840 12.432 1.625 374 1HB ARG 47 HB2 ARG 47 -4.770 15.024 2.876 375 2HB ARG 47 HB1 ARG 47 -5.800 13.684 2.391 376 1HG ARG 47 HG2 ARG 47 -5.081 12.332 4.131 377 2HG ARG 47 HG1 ARG 47 -3.605 13.267 4.378 378 1HD ARG 47 HD2 ARG 47 -4.634 14.421 5.971 379 2HD ARG 47 HD1 ARG 47 -5.767 15.035 4.768 380 HE ARG 47 HE ARG 47 -6.483 12.432 5.691 381 1HH1 ARG 47 HH11 ARG 47 -6.617 15.826 6.492 382 2HH1 ARG 47 HH12 ARG 47 -8.024 15.664 7.489 383 1HH2 ARG 47 HH21 ARG 47 -8.334 12.217 7.001 384 2HH2 ARG 47 HH22 ARG 47 -8.999 13.615 7.778 385 H ASP 48 HN ASP 48 -3.298 15.917 1.140 386 HA ASP 48 HA ASP 48 -4.719 15.860 -1.365 387 1HB ASP 48 HB2 ASP 48 -4.319 17.831 0.466 388 2HB ASP 48 HB1 ASP 48 -3.111 18.244 -0.747 389 H GLU 49 HN GLU 49 -1.818 14.826 -0.529 390 HA GLU 49 HA GLU 49 -0.442 15.724 -2.954 391 1HB GLU 49 HB2 GLU 49 0.823 15.940 -0.872 392 2HB GLU 49 HB1 GLU 49 0.607 14.226 -0.545 393 1HG GLU 49 HG2 GLU 49 1.808 13.855 -2.781 394 2HG GLU 49 HG1 GLU 49 2.299 15.541 -2.634 395 H MET 50 HN MET 50 -1.824 12.939 -1.396 396 HA MET 50 HA MET 50 -0.743 11.069 -3.324 397 1HB MET 50 HB2 MET 50 -1.343 10.662 -0.806 398 2HB MET 50 HB1 MET 50 -2.968 10.408 -1.429 399 1HG MET 50 HG2 MET 50 -0.563 8.923 -2.447 400 2HG MET 50 HG1 MET 50 -1.573 8.346 -1.122 401 1HE MET 50 HE1 MET 50 -1.630 6.257 -2.369 402 2HE MET 50 HE2 MET 50 -1.291 6.496 -4.084 403 3HE MET 50 HE3 MET 50 -2.856 5.861 -3.574 404 H ARG 51 HN ARG 51 -3.842 12.602 -2.596 405 HA ARG 51 HA ARG 51 -5.432 11.208 -4.427 406 1HB ARG 51 HB2 ARG 51 -5.623 13.724 -2.913 407 2HB ARG 51 HB1 ARG 51 -6.563 13.700 -4.398 408 1HG ARG 51 HG2 ARG 51 -8.045 12.938 -2.782 409 2HG ARG 51 HG1 ARG 51 -7.477 11.460 -3.562 410 1HD ARG 51 HD2 ARG 51 -5.860 11.135 -1.749 411 2HD ARG 51 HD1 ARG 51 -6.441 12.606 -0.971 412 HE ARG 51 HE ARG 51 -8.179 11.401 -0.124 413 1HH1 ARG 51 HH11 ARG 51 -6.892 9.680 -2.874 414 2HH1 ARG 51 HH12 ARG 51 -7.915 8.301 -2.648 415 1HH2 ARG 51 HH21 ARG 51 -9.523 9.587 0.176 416 2HH2 ARG 51 HH22 ARG 51 -9.409 8.248 -0.916 417 H ALA 52 HN ALA 52 -3.175 13.829 -4.867 418 HA ALA 52 HA ALA 52 -4.058 14.424 -7.552 419 1HB ALA 52 HB1 ALA 52 -2.013 15.893 -7.571 420 2HB ALA 52 HB2 ALA 52 -1.729 15.385 -5.906 421 3HB ALA 52 HB3 ALA 52 -3.202 16.262 -6.321 422 H LEU 53 HN LEU 53 -1.080 13.082 -6.115 423 HA LEU 53 HA LEU 53 0.168 12.399 -8.523 424 1HB LEU 53 HB2 LEU 53 0.415 11.164 -5.782 425 2HB LEU 53 HB1 LEU 53 1.477 10.785 -7.124 426 HG LEU 53 HG LEU 53 1.171 13.501 -5.841 427 1HD1 LEU 53 HD11 LEU 53 2.456 12.467 -4.292 428 2HD1 LEU 53 HD12 LEU 53 3.729 12.841 -5.454 429 3HD1 LEU 53 HD13 LEU 53 3.013 11.229 -5.418 430 1HD2 LEU 53 HD21 LEU 53 3.416 13.673 -7.283 431 2HD2 LEU 53 HD22 LEU 53 1.834 14.134 -7.910 432 3HD2 LEU 53 HD23 LEU 53 2.510 12.553 -8.300 433 H ALA 54 HN ALA 54 -2.294 10.770 -6.667 434 HA ALA 54 HA ALA 54 -2.048 8.275 -8.090 435 1HB ALA 54 HB1 ALA 54 -4.236 7.781 -6.873 436 2HB ALA 54 HB2 ALA 54 -3.991 9.326 -6.060 437 3HB ALA 54 HB3 ALA 54 -2.799 8.039 -5.885 438 H GLY 55 HN GLY 55 -3.555 11.271 -8.700 439 1HA GLY 55 HA2 GLY 55 -4.979 11.978 -10.356 440 2HA GLY 55 HA1 GLY 55 -4.521 10.515 -11.217 441 H ASN 56 HN ASN 56 -6.266 10.974 -8.160 442 HA ASN 56 HA ASN 56 -8.846 10.497 -9.085 443 1HB ASN 56 HB2 ASN 56 -8.003 8.269 -9.729 444 2HB ASN 56 HB1 ASN 56 -7.469 7.995 -8.075 445 1HD2 ASN 56 HD21 ASN 56 -8.848 7.127 -6.676 446 2HD2 ASN 56 HD22 ASN 56 -10.531 6.866 -6.965 447 HA PRO 57 HA PRO 57 -8.985 11.736 -4.849 448 1HB PRO 57 HB2 PRO 57 -11.438 13.025 -5.370 449 2HB PRO 57 HB1 PRO 57 -9.843 13.759 -5.313 450 1HG PRO 57 HG2 PRO 57 -11.461 13.546 -7.562 451 2HG PRO 57 HG1 PRO 57 -9.721 13.881 -7.566 452 1HD PRO 57 HD2 PRO 57 -11.161 11.308 -8.016 453 2HD PRO 57 HD1 PRO 57 -9.684 11.935 -8.782 454 H LYS 58 HN LYS 58 -10.198 9.186 -6.001 455 HA LYS 58 HA LYS 58 -12.326 8.884 -3.991 456 1HB LYS 58 HB2 LYS 58 -12.283 8.212 -6.839 457 2HB LYS 58 HB1 LYS 58 -12.774 6.866 -5.820 458 1HG LYS 58 HG2 LYS 58 -14.063 9.396 -5.132 459 2HG LYS 58 HG1 LYS 58 -14.421 8.824 -6.763 460 1HD LYS 58 HD2 LYS 58 -16.073 7.952 -5.240 461 2HD LYS 58 HD1 LYS 58 -15.053 6.627 -5.803 462 1HE LYS 58 HE2 LYS 58 -13.712 7.416 -3.578 463 2HE LYS 58 HE1 LYS 58 -15.377 7.759 -3.109 464 1HZ LYS 58 HZ1 LYS 58 -14.433 5.446 -2.634 465 2HZ LYS 58 HZ2 LYS 58 -14.644 5.154 -4.287 466 3HZ LYS 58 HZ3 LYS 58 -15.977 5.544 -3.321 467 H ALA 59 HN ALA 59 -9.236 8.003 -4.874 468 HA ALA 59 HA ALA 59 -9.096 5.269 -4.355 469 1HB ALA 59 HB1 ALA 59 -6.885 5.544 -4.605 470 2HB ALA 59 HB2 ALA 59 -6.806 6.818 -3.388 471 3HB ALA 59 HB3 ALA 59 -7.302 7.203 -5.036 472 H THR 60 HN THR 60 -7.303 4.888 -2.306 473 HA THR 60 HA THR 60 -8.630 5.843 0.124 474 HB THR 60 HB THR 60 -8.846 3.638 1.041 475 HG1 THR 60 HG1 THR 60 -7.670 2.653 -1.341 476 1HG2 THR 60 HG21 THR 60 -9.860 3.727 -1.782 477 2HG2 THR 60 HG22 THR 60 -10.735 4.109 -0.299 478 3HG2 THR 60 HG23 THR 60 -10.262 2.444 -0.640 479 HA PRO 61 HA PRO 61 -4.684 6.190 2.031 480 1HB PRO 61 HB2 PRO 61 -5.393 4.162 4.082 481 2HB PRO 61 HB1 PRO 61 -4.860 5.833 4.286 482 1HG PRO 61 HG2 PRO 61 -7.407 5.161 4.679 483 2HG PRO 61 HG1 PRO 61 -6.977 6.697 3.903 484 1HD PRO 61 HD2 PRO 61 -7.989 4.168 2.674 485 2HD PRO 61 HD1 PRO 61 -8.369 5.853 2.262 486 HA PRO 62 HA PRO 62 -2.969 1.696 2.029 487 1HB PRO 62 HB2 PRO 62 -4.593 -0.352 1.367 488 2HB PRO 62 HB1 PRO 62 -4.469 0.261 3.021 489 1HG PRO 62 HG2 PRO 62 -6.561 0.802 0.952 490 2HG PRO 62 HG1 PRO 62 -6.756 0.482 2.685 491 1HD PRO 62 HD2 PRO 62 -6.832 2.980 1.598 492 2HD PRO 62 HD1 PRO 62 -6.309 2.656 3.261 493 H GLN 63 HN GLN 63 -1.946 2.569 0.188 494 HA GLN 63 HA GLN 63 -2.645 1.200 -2.295 495 1HB GLN 63 HB2 GLN 63 -1.946 4.123 -2.392 496 2HB GLN 63 HB1 GLN 63 -2.658 3.122 -3.649 497 1HG GLN 63 HG2 GLN 63 -4.105 3.730 -1.097 498 2HG GLN 63 HG1 GLN 63 -4.161 4.811 -2.488 499 1HE2 GLN 63 HE21 GLN 63 -4.479 3.351 -4.609 500 2HE2 GLN 63 HE22 GLN 63 -5.871 2.333 -4.521 501 H ILE 64 HN ILE 64 -0.898 0.503 -3.397 502 HA ILE 64 HA ILE 64 1.685 0.821 -2.165 503 HB ILE 64 HB ILE 64 1.105 -0.576 -4.770 504 1HG1 ILE 64 HG12 ILE 64 1.232 -2.567 -2.906 505 2HG1 ILE 64 HG11 ILE 64 0.392 -1.309 -2.005 506 1HG2 ILE 64 HG21 ILE 64 3.198 -1.370 -4.673 507 2HG2 ILE 64 HG22 ILE 64 3.122 -1.636 -2.932 508 3HG2 ILE 64 HG23 ILE 64 3.485 -0.030 -3.562 509 1HD1 ILE 64 HD11 ILE 64 -0.513 -2.946 -4.264 510 2HD1 ILE 64 HD12 ILE 64 -0.974 -1.245 -4.327 511 3HD1 ILE 64 HD13 ILE 64 -1.424 -2.230 -2.935 512 H VAL 65 HN VAL 65 3.459 1.861 -2.951 513 HA VAL 65 HA VAL 65 3.300 3.239 -5.518 514 HB VAL 65 HB VAL 65 3.863 4.681 -2.923 515 1HG1 VAL 65 HG11 VAL 65 4.925 6.253 -4.074 516 2HG1 VAL 65 HG12 VAL 65 3.559 6.417 -5.176 517 3HG1 VAL 65 HG13 VAL 65 4.824 5.237 -5.511 518 1HG2 VAL 65 HG21 VAL 65 1.545 4.503 -3.055 519 2HG2 VAL 65 HG22 VAL 65 1.536 4.676 -4.811 520 3HG2 VAL 65 HG23 VAL 65 1.877 6.072 -3.788 521 H ASN 66 HN ASN 66 5.251 3.474 -6.504 522 HA ASN 66 HA ASN 66 7.552 2.293 -5.118 523 1HB ASN 66 HB2 ASN 66 6.538 1.583 -7.499 524 2HB ASN 66 HB1 ASN 66 7.659 2.830 -8.039 525 1HD2 ASN 66 HD21 ASN 66 7.772 0.333 -5.519 526 2HD2 ASN 66 HD22 ASN 66 9.262 -0.367 -6.043 527 H GLY 67 HN GLY 67 7.609 4.495 -4.021 528 1HA GLY 67 HA2 GLY 67 9.229 6.182 -3.729 529 2HA GLY 67 HA1 GLY 67 9.574 6.120 -5.450 530 H ASP 68 HN ASP 68 7.855 6.973 -6.900 531 HA ASP 68 HA ASP 68 6.054 8.903 -5.675 532 1HB ASP 68 HB2 ASP 68 8.454 9.621 -7.302 533 2HB ASP 68 HB1 ASP 68 6.991 10.582 -7.495 534 H GLN 69 HN GLN 69 5.459 6.527 -7.018 535 HA GLN 69 HA GLN 69 3.947 7.602 -9.269 536 1HB GLN 69 HB2 GLN 69 6.221 5.855 -9.553 537 2HB GLN 69 HB1 GLN 69 4.769 5.047 -10.122 538 1HG GLN 69 HG2 GLN 69 4.457 7.444 -11.295 539 2HG GLN 69 HG1 GLN 69 6.217 7.354 -11.234 540 1HE2 GLN 69 HE21 GLN 69 5.620 7.420 -13.640 541 2HE2 GLN 69 HE22 GLN 69 5.489 5.884 -14.420 542 H TYR 70 HN TYR 70 2.225 6.120 -9.971 543 HA TYR 70 HA TYR 70 0.970 4.925 -7.672 544 1HB TYR 70 HB2 TYR 70 -0.040 6.231 -9.794 545 2HB TYR 70 HB1 TYR 70 -0.220 4.577 -10.366 546 HD1 TYR 70 HD1 TYR 70 -2.551 4.306 -10.313 547 HD2 TYR 70 HD2 TYR 70 -0.543 5.784 -6.865 548 HE1 TYR 70 HE1 TYR 70 -4.625 4.080 -9.014 549 HE2 TYR 70 HE2 TYR 70 -2.611 5.556 -5.557 550 HH TYR 70 HH TYR 70 -5.223 5.548 -6.230 551 H CYS 71 HN CYS 71 1.829 3.032 -7.054 552 HA CYS 71 HA CYS 71 2.734 1.072 -8.956 553 1HB CYS 71 HB2 CYS 71 3.612 1.563 -6.541 554 2HB CYS 71 HB1 CYS 71 2.320 0.474 -6.049 555 HG CYS 71 HG CYS 71 4.885 -0.531 -6.733 556 H GLY 72 HN GLY 72 0.183 1.042 -6.437 557 1HA GLY 72 HA2 GLY 72 -1.701 -0.203 -8.162 558 2HA GLY 72 HA1 GLY 72 -0.959 -1.396 -7.108 559 H ASP 73 HN ASP 73 -2.972 -1.806 -6.135 560 HA ASP 73 HA ASP 73 -3.638 0.116 -4.038 561 1HB ASP 73 HB2 ASP 73 -5.857 -1.182 -5.606 562 2HB ASP 73 HB1 ASP 73 -5.946 0.190 -4.506 563 H TYR 74 HN TYR 74 -5.832 -1.184 -2.977 564 HA TYR 74 HA TYR 74 -4.589 -3.317 -1.570 565 1HB TYR 74 HB2 TYR 74 -6.257 -1.871 -0.509 566 2HB TYR 74 HB1 TYR 74 -7.488 -2.450 -1.626 567 HD1 TYR 74 HD1 TYR 74 -5.465 -3.274 1.316 568 HD2 TYR 74 HD2 TYR 74 -8.468 -4.656 -1.362 569 HE1 TYR 74 HE1 TYR 74 -6.013 -5.093 2.878 570 HE2 TYR 74 HE2 TYR 74 -9.026 -6.477 0.193 571 HH TYR 74 HH TYR 74 -7.820 -7.754 2.040 572 H GLU 75 HN GLU 75 -7.209 -3.208 -3.975 573 HA GLU 75 HA GLU 75 -7.838 -5.905 -4.034 574 1HB GLU 75 HB2 GLU 75 -8.669 -3.652 -5.342 575 2HB GLU 75 HB1 GLU 75 -7.893 -4.549 -6.636 576 1HG GLU 75 HG2 GLU 75 -9.570 -6.276 -5.067 577 2HG GLU 75 HG1 GLU 75 -10.473 -4.875 -5.640 578 H LEU 76 HN LEU 76 -5.538 -4.133 -6.096 579 HA LEU 76 HA LEU 76 -4.648 -6.276 -7.629 580 1HB LEU 76 HB2 LEU 76 -3.053 -3.884 -6.707 581 2HB LEU 76 HB1 LEU 76 -2.633 -4.938 -8.043 582 HG LEU 76 HG LEU 76 -5.077 -4.170 -8.855 583 1HD1 LEU 76 HD11 LEU 76 -4.288 -1.509 -8.035 584 2HD1 LEU 76 HD12 LEU 76 -4.677 -2.532 -6.652 585 3HD1 LEU 76 HD13 LEU 76 -5.861 -2.301 -7.939 586 1HD2 LEU 76 HD21 LEU 76 -3.990 -2.849 -10.436 587 2HD2 LEU 76 HD22 LEU 76 -2.748 -3.994 -9.929 588 3HD2 LEU 76 HD23 LEU 76 -2.740 -2.347 -9.297 589 H PHE 77 HN PHE 77 -2.867 -4.828 -4.906 590 HA PHE 77 HA PHE 77 -0.898 -6.689 -4.588 591 1HB PHE 77 HB2 PHE 77 -1.034 -4.595 -3.312 592 2HB PHE 77 HB1 PHE 77 -2.376 -5.245 -2.378 593 HD1 PHE 77 HD1 PHE 77 1.187 -5.029 -2.719 594 HD2 PHE 77 HD2 PHE 77 -1.962 -7.223 -0.882 595 HE1 PHE 77 HE1 PHE 77 2.784 -5.946 -1.089 596 HE2 PHE 77 HE2 PHE 77 -0.370 -8.146 0.753 597 HZ PHE 77 HZ PHE 77 2.007 -7.506 0.651 598 H VAL 78 HN VAL 78 -4.055 -6.754 -2.928 599 HA VAL 78 HA VAL 78 -3.648 -9.256 -1.681 600 HB VAL 78 HB VAL 78 -6.300 -7.997 -2.392 601 1HG1 VAL 78 HG11 VAL 78 -5.453 -10.212 -0.581 602 2HG1 VAL 78 HG12 VAL 78 -6.836 -10.115 -1.671 603 3HG1 VAL 78 HG13 VAL 78 -6.849 -9.225 -0.149 604 1HG2 VAL 78 HG21 VAL 78 -5.249 -7.674 0.332 605 2HG2 VAL 78 HG22 VAL 78 -6.106 -6.528 -0.699 606 3HG2 VAL 78 HG23 VAL 78 -4.374 -6.782 -0.914 607 H GLU 79 HN GLU 79 -4.855 -8.333 -4.830 608 HA GLU 79 HA GLU 79 -5.924 -10.925 -5.451 609 1HB GLU 79 HB2 GLU 79 -6.855 -8.926 -6.494 610 2HB GLU 79 HB1 GLU 79 -5.302 -8.571 -7.239 611 1HG GLU 79 HG2 GLU 79 -5.690 -9.947 -8.938 612 2HG GLU 79 HG1 GLU 79 -6.228 -11.243 -7.870 613 H ALA 80 HN ALA 80 -2.810 -9.837 -5.149 614 HA ALA 80 HA ALA 80 -1.760 -11.452 -7.349 615 1HB ALA 80 HB1 ALA 80 0.323 -10.376 -6.999 616 2HB ALA 80 HB2 ALA 80 -0.181 -9.764 -5.423 617 3HB ALA 80 HB3 ALA 80 -0.915 -9.123 -6.893 618 H VAL 81 HN VAL 81 -1.402 -11.131 -3.816 619 HA VAL 81 HA VAL 81 0.318 -13.277 -3.383 620 HB VAL 81 HB VAL 81 -1.920 -12.460 -1.523 621 1HG1 VAL 81 HG11 VAL 81 -0.704 -13.441 0.202 622 2HG1 VAL 81 HG12 VAL 81 0.789 -13.471 -0.736 623 3HG1 VAL 81 HG13 VAL 81 -0.521 -14.584 -1.129 624 1HG2 VAL 81 HG21 VAL 81 0.838 -11.274 -1.815 625 2HG2 VAL 81 HG22 VAL 81 -0.291 -10.912 -0.512 626 3HG2 VAL 81 HG23 VAL 81 -0.691 -10.474 -2.171 627 H GLU 82 HN GLU 82 -3.111 -13.206 -3.960 628 HA GLU 82 HA GLU 82 -3.887 -15.715 -3.059 629 1HB GLU 82 HB2 GLU 82 -5.613 -15.501 -4.984 630 2HB GLU 82 HB1 GLU 82 -5.639 -14.327 -3.675 631 1HG GLU 82 HG2 GLU 82 -5.273 -12.650 -5.068 632 2HG GLU 82 HG1 GLU 82 -3.882 -13.459 -5.789 633 H GLN 83 HN GLN 83 -2.671 -14.809 -6.284 634 HA GLN 83 HA GLN 83 -2.534 -17.649 -6.992 635 1HB GLN 83 HB2 GLN 83 -3.405 -15.508 -8.440 636 2HB GLN 83 HB1 GLN 83 -1.746 -15.645 -9.003 637 1HG GLN 83 HG2 GLN 83 -2.090 -17.722 -9.937 638 2HG GLN 83 HG1 GLN 83 -3.477 -18.071 -8.906 639 1HE2 GLN 83 HE21 GLN 83 -5.490 -17.223 -9.438 640 2HE2 GLN 83 HE22 GLN 83 -5.837 -16.597 -11.011 641 H ASN 84 HN ASN 84 -0.632 -15.658 -5.393 642 HA ASN 84 HA ASN 84 1.560 -15.733 -4.845 643 1HB ASN 84 HB2 ASN 84 1.228 -18.211 -5.885 644 2HB ASN 84 HB1 ASN 84 2.387 -17.550 -7.033 645 1HD2 ASN 84 HD21 ASN 84 1.892 -18.790 -3.897 646 2HD2 ASN 84 HD22 ASN 84 3.520 -18.654 -3.335 647 H THR 85 HN THR 85 0.245 -14.187 -7.080 648 HA THR 85 HA THR 85 2.415 -13.624 -8.887 649 HB THR 85 HB THR 85 0.569 -11.613 -9.259 650 HG1 THR 85 HG1 THR 85 -1.444 -12.581 -9.079 651 1HG2 THR 85 HG21 THR 85 0.253 -12.529 -11.272 652 2HG2 THR 85 HG22 THR 85 -0.142 -14.114 -10.606 653 3HG2 THR 85 HG23 THR 85 1.544 -13.623 -10.775 654 H LEU 86 HN LEU 86 1.310 -12.529 -5.844 655 HA LEU 86 HA LEU 86 1.762 -9.958 -5.478 656 1HB LEU 86 HB2 LEU 86 1.428 -11.478 -3.632 657 2HB LEU 86 HB1 LEU 86 3.034 -12.147 -3.847 658 HG LEU 86 HG LEU 86 3.939 -9.845 -3.321 659 1HD1 LEU 86 HD11 LEU 86 2.162 -8.385 -3.636 660 2HD1 LEU 86 HD12 LEU 86 2.278 -8.511 -1.881 661 3HD1 LEU 86 HD13 LEU 86 1.034 -9.411 -2.749 662 1HD2 LEU 86 HD21 LEU 86 2.732 -11.801 -1.516 663 2HD2 LEU 86 HD22 LEU 86 2.954 -10.206 -0.796 664 3HD2 LEU 86 HD23 LEU 86 4.333 -11.063 -1.485 665 H GLN 87 HN GLN 87 4.461 -12.241 -5.943 666 HA GLN 87 HA GLN 87 6.565 -10.467 -5.606 667 1HB GLN 87 HB2 GLN 87 7.036 -12.804 -5.849 668 2HB GLN 87 HB1 GLN 87 6.316 -12.841 -7.454 669 1HG GLN 87 HG2 GLN 87 8.102 -11.616 -8.394 670 2HG GLN 87 HG1 GLN 87 8.728 -11.174 -6.808 671 1HE2 GLN 87 HE21 GLN 87 9.358 -13.077 -5.421 672 2HE2 GLN 87 HE22 GLN 87 10.205 -14.364 -6.204 673 H GLU 88 HN GLU 88 5.042 -11.384 -8.700 674 HA GLU 88 HA GLU 88 6.340 -9.725 -10.425 675 1HB GLU 88 HB2 GLU 88 3.539 -10.744 -10.316 676 2HB GLU 88 HB1 GLU 88 3.936 -9.531 -11.525 677 1HG GLU 88 HG2 GLU 88 5.940 -11.165 -12.017 678 2HG GLU 88 HG1 GLU 88 4.854 -12.344 -11.282 679 H PHE 89 HN PHE 89 4.074 -8.815 -7.962 680 HA PHE 89 HA PHE 89 3.912 -6.082 -8.983 681 1HB PHE 89 HB2 PHE 89 1.809 -7.156 -8.318 682 2HB PHE 89 HB1 PHE 89 2.450 -7.434 -6.705 683 HD1 PHE 89 HD1 PHE 89 0.569 -5.263 -8.749 684 HD2 PHE 89 HD2 PHE 89 3.176 -5.321 -5.387 685 HE1 PHE 89 HE1 PHE 89 -0.322 -3.088 -8.025 686 HE2 PHE 89 HE2 PHE 89 2.292 -3.145 -4.658 687 HZ PHE 89 HZ PHE 89 0.540 -2.025 -5.978 688 H LEU 90 HN LEU 90 5.363 -7.975 -6.463 689 HA LEU 90 HA LEU 90 6.176 -5.577 -4.999 690 1HB LEU 90 HB2 LEU 90 6.081 -8.489 -4.385 691 2HB LEU 90 HB1 LEU 90 7.248 -7.498 -3.531 692 HG LEU 90 HG LEU 90 4.251 -7.145 -3.525 693 1HD1 LEU 90 HD11 LEU 90 4.209 -8.134 -1.495 694 2HD1 LEU 90 HD12 LEU 90 5.809 -7.541 -1.050 695 3HD1 LEU 90 HD13 LEU 90 5.652 -8.939 -2.113 696 1HD2 LEU 90 HD21 LEU 90 4.865 -4.970 -3.283 697 2HD2 LEU 90 HD22 LEU 90 6.470 -5.373 -2.674 698 3HD2 LEU 90 HD23 LEU 90 5.068 -5.491 -1.611 699 H LYS 91 HN LYS 91 7.904 -8.606 -5.724 700 HA LYS 91 HA LYS 91 10.350 -7.065 -6.102 701 1HB LYS 91 HB2 LYS 91 10.245 -10.052 -6.256 702 2HB LYS 91 HB1 LYS 91 11.540 -9.012 -5.680 703 1HG LYS 91 HG2 LYS 91 10.094 -8.443 -3.719 704 2HG LYS 91 HG1 LYS 91 8.972 -9.688 -4.270 705 1HD LYS 91 HD2 LYS 91 10.189 -11.030 -2.931 706 2HD LYS 91 HD1 LYS 91 11.305 -11.063 -4.297 707 1HE LYS 91 HE2 LYS 91 12.848 -9.812 -3.232 708 2HE LYS 91 HE1 LYS 91 11.636 -8.790 -2.461 709 1HZ LYS 91 HZ1 LYS 91 12.734 -11.365 -1.558 710 2HZ LYS 91 HZ2 LYS 91 11.186 -10.899 -1.060 711 3HZ LYS 91 HZ3 LYS 91 12.521 -9.929 -0.689 712 H LEU 92 HN LEU 92 7.901 -8.067 -8.065 713 HA LEU 92 HA LEU 92 7.657 -8.314 -10.301 714 1HB LEU 92 HB2 LEU 92 10.442 -7.208 -10.559 715 2HB LEU 92 HB1 LEU 92 9.153 -7.146 -11.745 716 HG LEU 92 HG LEU 92 9.155 -4.988 -10.914 717 1HD1 LEU 92 HD11 LEU 92 7.211 -6.514 -9.187 718 2HD1 LEU 92 HD12 LEU 92 6.905 -5.818 -10.779 719 3HD1 LEU 92 HD13 LEU 92 7.203 -4.762 -9.399 720 1HD2 LEU 92 HD21 LEU 92 9.852 -4.304 -8.849 721 2HD2 LEU 92 HD22 LEU 92 10.729 -5.829 -8.975 722 3HD2 LEU 92 HD23 LEU 92 9.235 -5.746 -8.042 723 H ALA 93 HN ALA 93 11.157 -8.872 -10.148 724 HA ALA 93 HA ALA 93 10.729 -11.701 -10.742 725 1HB ALA 93 HB1 ALA 93 11.692 -11.720 -12.784 726 2HB ALA 93 HB2 ALA 93 12.817 -10.422 -12.385 727 3HB ALA 93 HB3 ALA 93 11.150 -10.042 -12.817 728 H LEU 94 HN LEU 94 13.184 -9.171 -10.252 729 HA LEU 94 HA LEU 94 15.105 -9.125 -9.037 730 1HB LEU 94 HB2 LEU 94 13.263 -10.063 -7.360 731 2HB LEU 94 HB1 LEU 94 14.283 -11.488 -7.428 732 HG LEU 94 HG LEU 94 16.187 -9.702 -6.923 733 1HD1 LEU 94 HD11 LEU 94 15.564 -7.774 -5.927 734 2HD1 LEU 94 HD12 LEU 94 14.120 -8.484 -5.206 735 3HD1 LEU 94 HD13 LEU 94 14.113 -8.002 -6.902 736 1HD2 LEU 94 HD21 LEU 94 14.399 -10.596 -4.682 737 2HD2 LEU 94 HD22 LEU 94 16.155 -10.426 -4.694 738 3HD2 LEU 94 HD23 LEU 94 15.389 -11.732 -5.599 739 H GLU 95 HN GLU 95 16.116 -9.919 -11.040 740 HA GLU 95 HA GLU 95 17.617 -11.227 -12.138 741 1HB GLU 95 HB2 GLU 95 17.932 -12.268 -9.330 742 2HB GLU 95 HB1 GLU 95 18.887 -12.901 -10.665 743 1HG GLU 95 HG2 GLU 95 19.633 -10.541 -11.106 744 2HG GLU 95 HG1 GLU 95 18.863 -10.099 -9.583 Start of MODEL 15 1 1H MET 1 HT1 MET 1 16.775 3.843 -1.365 2 2H MET 1 HT2 MET 1 18.213 4.747 -1.613 3 3H MET 1 HT3 MET 1 18.216 3.046 -1.841 4 HA MET 1 HA MET 1 16.986 5.139 -3.480 5 1HB MET 1 HB2 MET 1 18.282 4.039 -5.232 6 2HB MET 1 HB1 MET 1 19.324 4.482 -3.888 7 1HG MET 1 HG2 MET 1 19.502 2.255 -3.156 8 2HG MET 1 HG1 MET 1 18.163 1.732 -4.174 9 1HE MET 1 HE1 MET 1 18.173 2.264 -6.669 10 2HE MET 1 HE2 MET 1 19.520 1.778 -7.698 11 3HE MET 1 HE3 MET 1 19.405 3.442 -7.124 12 H SER 2 HN SER 2 16.743 1.816 -2.423 13 HA SER 2 HA SER 2 14.381 1.484 -4.156 14 1HB SER 2 HB2 SER 2 16.407 -0.002 -4.647 15 2HB SER 2 HB1 SER 2 16.057 -0.798 -3.112 16 HG SER 2 HG SER 2 14.177 -1.550 -3.912 17 H GLY 3 HN GLY 3 12.669 1.848 -2.881 18 1HA GLY 3 HA2 GLY 3 12.270 0.100 -0.595 19 2HA GLY 3 HA1 GLY 3 12.333 1.817 -0.224 20 H LEU 4 HN LEU 4 10.119 -0.069 0.084 21 HA LEU 4 HA LEU 4 8.187 1.003 -1.852 22 1HB LEU 4 HB2 LEU 4 8.039 -1.368 0.008 23 2HB LEU 4 HB1 LEU 4 6.689 -0.803 -0.957 24 HG LEU 4 HG LEU 4 9.266 -1.508 -2.304 25 1HD1 LEU 4 HD11 LEU 4 8.206 -3.325 -0.645 26 2HD1 LEU 4 HD12 LEU 4 8.982 -3.744 -2.172 27 3HD1 LEU 4 HD13 LEU 4 7.224 -3.627 -2.079 28 1HD2 LEU 4 HD21 LEU 4 8.033 -1.533 -4.202 29 2HD2 LEU 4 HD22 LEU 4 7.002 -0.453 -3.264 30 3HD2 LEU 4 HD23 LEU 4 6.599 -2.165 -3.394 31 H ARG 5 HN ARG 5 6.522 2.273 -1.233 32 HA ARG 5 HA ARG 5 6.352 2.943 1.632 33 1HB ARG 5 HB2 ARG 5 5.407 4.740 -0.587 34 2HB ARG 5 HB1 ARG 5 5.801 5.163 1.073 35 1HG ARG 5 HG2 ARG 5 8.187 4.593 0.551 36 2HG ARG 5 HG1 ARG 5 7.705 4.451 -1.141 37 1HD ARG 5 HD2 ARG 5 7.097 6.735 -1.256 38 2HD ARG 5 HD1 ARG 5 7.179 6.919 0.495 39 HE ARG 5 HE ARG 5 9.694 6.143 -0.566 40 1HH1 ARG 5 HH11 ARG 5 7.560 8.886 -0.247 41 2HH1 ARG 5 HH12 ARG 5 8.842 10.049 -0.313 42 1HH2 ARG 5 HH21 ARG 5 11.381 7.671 -0.653 43 2HH2 ARG 5 HH22 ARG 5 11.011 9.360 -0.544 44 H VAL 6 HN VAL 6 4.595 2.192 2.597 45 HA VAL 6 HA VAL 6 2.204 1.646 0.986 46 HB VAL 6 HB VAL 6 2.768 0.744 3.812 47 1HG1 VAL 6 HG11 VAL 6 0.746 -0.195 1.780 48 2HG1 VAL 6 HG12 VAL 6 0.403 0.792 3.201 49 3HG1 VAL 6 HG13 VAL 6 0.979 -0.864 3.395 50 1HG2 VAL 6 HG21 VAL 6 4.220 -0.065 1.688 51 2HG2 VAL 6 HG22 VAL 6 2.879 -1.207 1.606 52 3HG2 VAL 6 HG23 VAL 6 3.852 -1.093 3.072 53 H TYR 7 HN TYR 7 0.615 3.075 1.031 54 HA TYR 7 HA TYR 7 0.520 5.136 3.053 55 1HB TYR 7 HB2 TYR 7 -0.842 4.601 0.463 56 2HB TYR 7 HB1 TYR 7 -1.700 5.604 1.625 57 HD1 TYR 7 HD1 TYR 7 1.041 5.431 -0.739 58 HD2 TYR 7 HD2 TYR 7 -0.703 7.756 2.368 59 HE1 TYR 7 HE1 TYR 7 2.344 7.382 -1.476 60 HE2 TYR 7 HE2 TYR 7 0.596 9.714 1.641 61 HH TYR 7 HH TYR 7 3.201 9.515 -0.458 62 H SER 8 HN SER 8 -1.042 5.439 4.589 63 HA SER 8 HA SER 8 -3.349 3.735 4.773 64 1HB SER 8 HB2 SER 8 -1.379 3.512 7.045 65 2HB SER 8 HB1 SER 8 -2.801 2.519 6.726 66 HG SER 8 HG SER 8 -1.732 1.612 4.971 67 H THR 9 HN THR 9 -4.576 4.201 6.852 68 HA THR 9 HA THR 9 -4.051 6.942 7.779 69 HB THR 9 HB THR 9 -5.859 6.949 6.092 70 HG1 THR 9 HG1 THR 9 -5.916 8.434 7.839 71 1HG2 THR 9 HG21 THR 9 -7.565 5.438 8.031 72 2HG2 THR 9 HG22 THR 9 -6.721 4.637 6.706 73 3HG2 THR 9 HG23 THR 9 -7.915 5.889 6.363 74 H SER 10 HN SER 10 -3.505 6.717 9.844 75 HA SER 10 HA SER 10 -4.186 4.591 11.519 76 1HB SER 10 HB2 SER 10 -3.262 5.886 13.317 77 2HB SER 10 HB1 SER 10 -2.315 6.243 11.873 78 HG SER 10 HG SER 10 -3.618 7.941 13.430 79 H VAL 11 HN VAL 11 -5.900 7.524 10.757 80 HA VAL 11 HA VAL 11 -7.769 7.243 12.948 81 HB VAL 11 HB VAL 11 -7.988 9.078 10.562 82 1HG1 VAL 11 HG11 VAL 11 -9.483 8.722 13.082 83 2HG1 VAL 11 HG12 VAL 11 -10.024 9.319 11.513 84 3HG1 VAL 11 HG13 VAL 11 -9.141 10.385 12.606 85 1HG2 VAL 11 HG21 VAL 11 -5.832 9.261 11.912 86 2HG2 VAL 11 HG22 VAL 11 -6.846 9.828 13.238 87 3HG2 VAL 11 HG23 VAL 11 -6.788 10.731 11.725 88 H THR 12 HN THR 12 -8.149 7.324 9.397 89 HA THR 12 HA THR 12 -9.597 6.269 7.997 90 HB THR 12 HB THR 12 -10.359 4.176 9.942 91 HG1 THR 12 HG1 THR 12 -8.350 4.202 10.671 92 1HG2 THR 12 HG21 THR 12 -9.541 2.704 8.097 93 2HG2 THR 12 HG22 THR 12 -9.251 4.164 7.152 94 3HG2 THR 12 HG23 THR 12 -10.887 3.761 7.673 95 H GLY 13 HN GLY 13 -11.905 5.661 7.698 96 1HA GLY 13 HA2 GLY 13 -13.593 7.046 9.692 97 2HA GLY 13 HA1 GLY 13 -13.873 7.138 7.960 98 H SER 14 HN SER 14 -13.396 4.365 7.412 99 HA SER 14 HA SER 14 -15.970 3.328 8.269 100 1HB SER 14 HB2 SER 14 -14.050 2.737 6.088 101 2HB SER 14 HB1 SER 14 -14.992 1.372 6.687 102 HG SER 14 HG SER 14 -15.787 3.553 5.218 103 H ARG 15 HN ARG 15 -15.755 0.693 8.398 104 HA ARG 15 HA ARG 15 -13.912 0.234 10.625 105 1HB ARG 15 HB2 ARG 15 -16.538 -1.095 10.022 106 2HB ARG 15 HB1 ARG 15 -15.497 -1.509 11.377 107 1HG ARG 15 HG2 ARG 15 -15.872 1.229 11.616 108 2HG ARG 15 HG1 ARG 15 -17.448 0.609 11.120 109 1HD ARG 15 HD2 ARG 15 -17.727 0.205 13.312 110 2HD ARG 15 HD1 ARG 15 -16.734 -1.217 12.995 111 HE ARG 15 HE ARG 15 -15.211 1.128 13.652 112 1HH1 ARG 15 HH11 ARG 15 -16.938 -1.613 14.949 113 2HH1 ARG 15 HH12 ARG 15 -16.060 -1.619 16.441 114 1HH2 ARG 15 HH21 ARG 15 -14.055 1.122 15.614 115 2HH2 ARG 15 HH22 ARG 15 -14.423 -0.067 16.819 116 H GLU 16 HN GLU 16 -14.606 -0.608 7.531 117 HA GLU 16 HA GLU 16 -13.265 -3.207 7.680 118 1HB GLU 16 HB2 GLU 16 -14.540 -2.009 5.225 119 2HB GLU 16 HB1 GLU 16 -14.157 -3.696 5.535 120 1HG GLU 16 HG2 GLU 16 -15.851 -3.297 7.545 121 2HG GLU 16 HG1 GLU 16 -16.460 -2.074 6.431 122 H ILE 17 HN ILE 17 -12.974 0.014 6.363 123 HA ILE 17 HA ILE 17 -10.831 -0.418 4.599 124 HB ILE 17 HB ILE 17 -11.487 2.087 6.158 125 1HG1 ILE 17 HG12 ILE 17 -12.370 1.157 3.416 126 2HG1 ILE 17 HG11 ILE 17 -13.392 1.322 4.840 127 1HG2 ILE 17 HG21 ILE 17 -9.283 2.290 5.291 128 2HG2 ILE 17 HG22 ILE 17 -10.341 3.205 4.217 129 3HG2 ILE 17 HG23 ILE 17 -9.762 1.610 3.736 130 1HD1 ILE 17 HD11 ILE 17 -12.792 3.778 4.813 131 2HD1 ILE 17 HD12 ILE 17 -13.826 3.202 3.506 132 3HD1 ILE 17 HD13 ILE 17 -12.110 3.490 3.212 133 H LYS 18 HN LYS 18 -10.968 -0.007 8.063 134 HA LYS 18 HA LYS 18 -8.252 0.619 8.512 135 1HB LYS 18 HB2 LYS 18 -10.562 -0.214 10.130 136 2HB LYS 18 HB1 LYS 18 -9.007 -0.709 10.784 137 1HG LYS 18 HG2 LYS 18 -8.499 1.359 11.432 138 2HG LYS 18 HG1 LYS 18 -9.025 2.062 9.901 139 1HD LYS 18 HD2 LYS 18 -11.138 2.465 10.656 140 2HD LYS 18 HD1 LYS 18 -11.130 1.074 11.742 141 1HE LYS 18 HE2 LYS 18 -9.332 3.388 12.306 142 2HE LYS 18 HE1 LYS 18 -11.047 3.513 12.695 143 1HZ LYS 18 HZ1 LYS 18 -10.083 2.695 14.625 144 2HZ LYS 18 HZ2 LYS 18 -9.039 1.652 13.800 145 3HZ LYS 18 HZ3 LYS 18 -10.691 1.299 13.888 146 H SER 19 HN SER 19 -9.984 -2.422 8.168 147 HA SER 19 HA SER 19 -7.840 -4.096 8.988 148 1HB SER 19 HB2 SER 19 -10.471 -4.528 8.560 149 2HB SER 19 HB1 SER 19 -9.814 -5.174 7.057 150 HG SER 19 HG SER 19 -8.355 -6.412 8.448 151 H GLN 20 HN GLN 20 -8.693 -2.556 5.991 152 HA GLN 20 HA GLN 20 -7.244 -4.170 4.207 153 1HB GLN 20 HB2 GLN 20 -7.662 -1.192 3.939 154 2HB GLN 20 HB1 GLN 20 -7.420 -2.359 2.646 155 1HG GLN 20 HG2 GLN 20 -9.824 -2.103 4.434 156 2HG GLN 20 HG1 GLN 20 -9.727 -1.737 2.712 157 1HE2 GLN 20 HE21 GLN 20 -11.194 -3.750 4.550 158 2HE2 GLN 20 HE22 GLN 20 -11.046 -5.238 3.685 159 H GLN 21 HN GLN 21 -6.288 -1.388 6.161 160 HA GLN 21 HA GLN 21 -3.645 -1.244 5.072 161 1HB GLN 21 HB2 GLN 21 -4.587 -0.107 7.705 162 2HB GLN 21 HB1 GLN 21 -3.228 0.434 6.729 163 1HG GLN 21 HG2 GLN 21 -4.528 1.629 5.329 164 2HG GLN 21 HG1 GLN 21 -5.870 0.489 5.423 165 1HE2 GLN 21 HE21 GLN 21 -7.594 1.508 6.138 166 2HE2 GLN 21 HE22 GLN 21 -7.646 2.622 7.457 167 H SER 22 HN SER 22 -5.142 -2.820 7.822 168 HA SER 22 HA SER 22 -2.764 -3.515 9.186 169 1HB SER 22 HB2 SER 22 -5.369 -3.645 9.841 170 2HB SER 22 HB1 SER 22 -5.105 -5.330 9.396 171 HG SER 22 HG SER 22 -3.909 -5.600 11.115 172 H GLU 23 HN GLU 23 -4.795 -5.305 6.884 173 HA GLU 23 HA GLU 23 -3.366 -7.702 6.894 174 1HB GLU 23 HB2 GLU 23 -5.609 -6.826 5.646 175 2HB GLU 23 HB1 GLU 23 -4.486 -6.858 4.294 176 1HG GLU 23 HG2 GLU 23 -5.168 -8.984 4.118 177 2HG GLU 23 HG1 GLU 23 -3.971 -9.261 5.382 178 H VAL 24 HN VAL 24 -2.900 -4.766 4.979 179 HA VAL 24 HA VAL 24 -0.946 -5.717 3.224 180 HB VAL 24 HB VAL 24 -1.099 -2.916 4.342 181 1HG1 VAL 24 HG11 VAL 24 -0.012 -2.230 2.328 182 2HG1 VAL 24 HG12 VAL 24 -0.116 -3.856 1.654 183 3HG1 VAL 24 HG13 VAL 24 0.937 -3.539 3.033 184 1HG2 VAL 24 HG21 VAL 24 -2.343 -3.395 1.748 185 2HG2 VAL 24 HG22 VAL 24 -2.937 -2.492 3.141 186 3HG2 VAL 24 HG23 VAL 24 -3.143 -4.242 3.072 187 H THR 25 HN THR 25 -0.418 -3.778 6.177 188 HA THR 25 HA THR 25 2.362 -4.078 6.236 189 HB THR 25 HB THR 25 2.195 -3.394 8.607 190 HG1 THR 25 HG1 THR 25 -0.607 -3.522 8.218 191 1HG2 THR 25 HG21 THR 25 1.328 -1.251 8.302 192 2HG2 THR 25 HG22 THR 25 0.179 -1.793 7.079 193 3HG2 THR 25 HG23 THR 25 1.902 -1.734 6.705 194 H ARG 26 HN ARG 26 -0.209 -6.131 7.427 195 HA ARG 26 HA ARG 26 1.270 -7.775 9.142 196 1HB ARG 26 HB2 ARG 26 -1.262 -7.681 8.812 197 2HB ARG 26 HB1 ARG 26 -1.015 -8.737 7.428 198 1HG ARG 26 HG2 ARG 26 -0.722 -10.544 8.708 199 2HG ARG 26 HG1 ARG 26 0.287 -9.677 9.868 200 1HD ARG 26 HD2 ARG 26 -1.454 -9.195 11.220 201 2HD ARG 26 HD1 ARG 26 -2.565 -8.947 9.874 202 HE ARG 26 HE ARG 26 -2.141 -11.375 11.349 203 1HH1 ARG 26 HH11 ARG 26 -3.199 -10.031 8.306 204 2HH1 ARG 26 HH12 ARG 26 -4.179 -11.400 7.900 205 1HH2 ARG 26 HH21 ARG 26 -3.430 -13.175 10.816 206 2HH2 ARG 26 HH22 ARG 26 -4.311 -13.185 9.325 207 H ILE 27 HN ILE 27 0.600 -8.088 5.669 208 HA ILE 27 HA ILE 27 2.034 -10.524 5.358 209 HB ILE 27 HB ILE 27 1.418 -8.497 3.208 210 1HG1 ILE 27 HG12 ILE 27 -0.343 -10.839 3.508 211 2HG1 ILE 27 HG11 ILE 27 -0.455 -9.673 4.822 212 1HG2 ILE 27 HG21 ILE 27 1.416 -11.397 2.668 213 2HG2 ILE 27 HG22 ILE 27 2.987 -10.668 3.005 214 3HG2 ILE 27 HG23 ILE 27 1.997 -10.056 1.680 215 1HD1 ILE 27 HD11 ILE 27 -0.556 -8.033 2.674 216 2HD1 ILE 27 HD12 ILE 27 -1.968 -8.699 3.495 217 3HD1 ILE 27 HD13 ILE 27 -1.346 -9.477 2.040 218 H LEU 28 HN LEU 28 2.826 -7.162 4.467 219 HA LEU 28 HA LEU 28 5.407 -7.647 3.522 220 1HB LEU 28 HB2 LEU 28 4.282 -5.184 4.854 221 2HB LEU 28 HB1 LEU 28 5.813 -5.240 4.003 222 HG LEU 28 HG LEU 28 3.216 -5.936 2.652 223 1HD1 LEU 28 HD11 LEU 28 3.310 -3.614 1.729 224 2HD1 LEU 28 HD12 LEU 28 4.523 -3.241 2.954 225 3HD1 LEU 28 HD13 LEU 28 2.894 -3.711 3.440 226 1HD2 LEU 28 HD21 LEU 28 4.517 -5.320 0.635 227 2HD2 LEU 28 HD22 LEU 28 5.186 -6.702 1.503 228 3HD2 LEU 28 HD23 LEU 28 5.941 -5.116 1.656 229 H ASP 29 HN ASP 29 4.298 -6.775 6.776 230 HA ASP 29 HA ASP 29 6.822 -6.616 7.989 231 1HB ASP 29 HB2 ASP 29 4.675 -5.806 8.991 232 2HB ASP 29 HB1 ASP 29 4.237 -7.484 9.301 233 H GLY 30 HN GLY 30 4.548 -9.334 7.704 234 1HA GLY 30 HA2 GLY 30 6.006 -11.221 9.162 235 2HA GLY 30 HA1 GLY 30 4.876 -11.600 7.870 236 H LYS 31 HN LYS 31 6.357 -10.123 5.854 237 HA LYS 31 HA LYS 31 8.203 -12.194 5.115 238 1HB LYS 31 HB2 LYS 31 7.290 -9.640 3.818 239 2HB LYS 31 HB1 LYS 31 8.603 -10.590 3.137 240 1HG LYS 31 HG2 LYS 31 7.228 -12.274 2.469 241 2HG LYS 31 HG1 LYS 31 6.071 -11.997 3.773 242 1HD LYS 31 HD2 LYS 31 4.791 -11.023 2.218 243 2HD LYS 31 HD1 LYS 31 5.921 -9.670 2.311 244 1HE LYS 31 HE2 LYS 31 6.188 -12.012 0.430 245 2HE LYS 31 HE1 LYS 31 5.498 -10.449 -0.005 246 1HZ LYS 31 HZ1 LYS 31 8.077 -11.089 -0.298 247 2HZ LYS 31 HZ2 LYS 31 8.120 -10.334 1.215 248 3HZ LYS 31 HZ3 LYS 31 7.512 -9.504 -0.127 249 H ARG 32 HN ARG 32 8.482 -9.517 7.078 250 HA ARG 32 HA ARG 32 10.240 -8.421 8.007 251 1HB ARG 32 HB2 ARG 32 11.535 -10.880 6.908 252 2HB ARG 32 HB1 ARG 32 12.559 -9.586 7.513 253 1HG ARG 32 HG2 ARG 32 10.433 -11.055 9.059 254 2HG ARG 32 HG1 ARG 32 12.180 -11.233 9.236 255 1HD ARG 32 HD2 ARG 32 11.909 -8.562 9.569 256 2HD ARG 32 HD1 ARG 32 10.375 -9.130 10.229 257 HE ARG 32 HE ARG 32 11.506 -10.038 12.006 258 1HH1 ARG 32 HH11 ARG 32 13.794 -9.185 9.512 259 2HH1 ARG 32 HH12 ARG 32 15.178 -9.459 10.515 260 1HH2 ARG 32 HH21 ARG 32 13.326 -10.400 13.326 261 2HH2 ARG 32 HH22 ARG 32 14.913 -10.149 12.680 262 H ILE 33 HN ILE 33 9.306 -7.345 5.682 263 HA ILE 33 HA ILE 33 11.522 -6.793 3.910 264 HB ILE 33 HB ILE 33 8.781 -5.534 3.903 265 1HG1 ILE 33 HG12 ILE 33 9.788 -7.990 2.450 266 2HG1 ILE 33 HG11 ILE 33 8.571 -7.960 3.722 267 1HG2 ILE 33 HG21 ILE 33 10.281 -4.241 2.604 268 2HG2 ILE 33 HG22 ILE 33 9.349 -5.216 1.468 269 3HG2 ILE 33 HG23 ILE 33 11.001 -5.678 1.878 270 1HD1 ILE 33 HD11 ILE 33 6.994 -6.927 2.333 271 2HD1 ILE 33 HD12 ILE 33 7.751 -8.170 1.337 272 3HD1 ILE 33 HD13 ILE 33 8.215 -6.479 1.142 273 H GLN 34 HN GLN 34 12.187 -4.628 3.413 274 HA GLN 34 HA GLN 34 12.314 -2.957 5.819 275 1HB GLN 34 HB2 GLN 34 14.106 -3.397 3.483 276 2HB GLN 34 HB1 GLN 34 14.121 -1.804 4.225 277 1HG GLN 34 HG2 GLN 34 14.311 -4.058 6.097 278 2HG GLN 34 HG1 GLN 34 15.676 -3.867 4.999 279 1HE2 GLN 34 HE21 GLN 34 13.550 -1.589 6.697 280 2HE2 GLN 34 HE22 GLN 34 14.822 -0.701 7.457 281 H TYR 35 HN TYR 35 9.924 -2.672 4.804 282 HA TYR 35 HA TYR 35 9.952 -0.383 2.974 283 1HB TYR 35 HB2 TYR 35 7.678 -0.863 2.484 284 2HB TYR 35 HB1 TYR 35 8.502 -2.418 2.519 285 HD1 TYR 35 HD1 TYR 35 8.349 -3.769 4.721 286 HD2 TYR 35 HD2 TYR 35 5.769 -0.522 3.773 287 HE1 TYR 35 HE1 TYR 35 6.721 -4.589 6.369 288 HE2 TYR 35 HE2 TYR 35 4.133 -1.334 5.419 289 HH TYR 35 HH TYR 35 4.797 -3.423 7.795 290 H GLN 36 HN GLN 36 8.243 1.301 3.412 291 HA GLN 36 HA GLN 36 8.197 1.941 6.289 292 1HB GLN 36 HB2 GLN 36 8.088 4.334 5.554 293 2HB GLN 36 HB1 GLN 36 9.595 3.522 5.149 294 1HG GLN 36 HG2 GLN 36 7.789 3.197 2.979 295 2HG GLN 36 HG1 GLN 36 7.815 4.898 3.439 296 1HE2 GLN 36 HE21 GLN 36 9.357 2.474 1.718 297 2HE2 GLN 36 HE22 GLN 36 10.836 3.297 1.376 298 H LEU 37 HN LEU 37 6.379 3.800 6.582 299 HA LEU 37 HA LEU 37 3.956 2.872 5.208 300 1HB LEU 37 HB2 LEU 37 4.223 1.935 7.536 301 2HB LEU 37 HB1 LEU 37 4.078 3.575 8.136 302 HG LEU 37 HG LEU 37 1.945 2.306 6.435 303 1HD1 LEU 37 HD11 LEU 37 2.353 2.151 9.405 304 2HD1 LEU 37 HD12 LEU 37 2.053 0.839 8.266 305 3HD1 LEU 37 HD13 LEU 37 0.765 1.977 8.660 306 1HD2 LEU 37 HD21 LEU 37 0.635 4.026 7.916 307 2HD2 LEU 37 HD22 LEU 37 1.506 4.557 6.477 308 3HD2 LEU 37 HD23 LEU 37 2.222 4.778 8.074 309 H VAL 38 HN VAL 38 3.752 4.619 3.908 310 HA VAL 38 HA VAL 38 4.057 7.294 4.929 311 HB VAL 38 HB VAL 38 3.004 7.873 2.612 312 1HG1 VAL 38 HG11 VAL 38 5.718 6.771 3.190 313 2HG1 VAL 38 HG12 VAL 38 5.224 8.433 2.865 314 3HG1 VAL 38 HG13 VAL 38 5.302 7.262 1.548 315 1HG2 VAL 38 HG21 VAL 38 3.146 6.213 0.923 316 2HG2 VAL 38 HG22 VAL 38 2.237 5.497 2.252 317 3HG2 VAL 38 HG23 VAL 38 3.931 5.071 2.012 318 H ASP 39 HN ASP 39 2.516 7.119 6.631 319 HA ASP 39 HA ASP 39 -0.279 6.812 6.021 320 1HB ASP 39 HB2 ASP 39 1.144 6.440 8.283 321 2HB ASP 39 HB1 ASP 39 0.530 8.063 8.586 322 H ILE 40 HN ILE 40 -1.689 8.335 5.467 323 HA ILE 40 HA ILE 40 -0.757 11.087 5.262 324 HB ILE 40 HB ILE 40 -2.776 11.471 3.914 325 1HG1 ILE 40 HG12 ILE 40 -3.304 8.517 4.310 326 2HG1 ILE 40 HG11 ILE 40 -4.221 9.811 5.076 327 1HG2 ILE 40 HG21 ILE 40 -1.269 10.928 2.355 328 2HG2 ILE 40 HG22 ILE 40 -2.109 9.380 2.270 329 3HG2 ILE 40 HG23 ILE 40 -0.673 9.551 3.281 330 1HD1 ILE 40 HD11 ILE 40 -5.589 9.670 3.335 331 2HD1 ILE 40 HD12 ILE 40 -4.445 8.694 2.414 332 3HD1 ILE 40 HD13 ILE 40 -4.316 10.453 2.399 333 H SER 41 HN SER 41 -2.530 9.236 7.446 334 HA SER 41 HA SER 41 -4.537 11.062 8.227 335 1HB SER 41 HB2 SER 41 -3.762 8.486 8.970 336 2HB SER 41 HB1 SER 41 -3.542 9.448 10.431 337 HG SER 41 HG SER 41 -5.747 10.254 9.935 338 H GLN 42 HN GLN 42 -1.139 10.881 8.874 339 HA GLN 42 HA GLN 42 -0.954 12.326 11.249 340 1HB GLN 42 HB2 GLN 42 0.906 11.115 10.064 341 2HB GLN 42 HB1 GLN 42 0.992 12.466 8.943 342 1HG GLN 42 HG2 GLN 42 1.277 13.886 11.104 343 2HG GLN 42 HG1 GLN 42 1.742 12.345 11.825 344 1HE2 GLN 42 HE21 GLN 42 3.735 13.751 12.081 345 2HE2 GLN 42 HE22 GLN 42 4.914 13.646 10.823 346 H ASP 43 HN ASP 43 -0.353 13.639 7.984 347 HA ASP 43 HA ASP 43 -1.424 16.214 8.937 348 1HB ASP 43 HB2 ASP 43 1.148 15.825 8.226 349 2HB ASP 43 HB1 ASP 43 0.464 16.214 6.650 350 H ASN 44 HN ASN 44 -2.547 17.510 7.400 351 HA ASN 44 HA ASN 44 -4.242 16.003 5.680 352 1HB ASN 44 HB2 ASN 44 -3.992 18.843 6.500 353 2HB ASN 44 HB1 ASN 44 -4.799 18.536 4.966 354 1HD2 ASN 44 HD21 ASN 44 -5.204 18.799 8.244 355 2HD2 ASN 44 HD22 ASN 44 -6.743 18.029 8.394 356 H ALA 45 HN ALA 45 -1.274 17.722 5.234 357 HA ALA 45 HA ALA 45 -1.458 18.278 2.480 358 1HB ALA 45 HB1 ALA 45 0.893 17.862 4.306 359 2HB ALA 45 HB2 ALA 45 0.239 19.380 3.691 360 3HB ALA 45 HB3 ALA 45 1.074 18.274 2.600 361 H LEU 46 HN LEU 46 -0.477 15.409 4.253 362 HA LEU 46 HA LEU 46 0.629 13.990 2.080 363 1HB LEU 46 HB2 LEU 46 -0.456 13.241 4.760 364 2HB LEU 46 HB1 LEU 46 -0.135 11.973 3.593 365 HG LEU 46 HG LEU 46 2.063 13.900 4.031 366 1HD1 LEU 46 HD11 LEU 46 2.701 12.365 6.052 367 2HD1 LEU 46 HD12 LEU 46 0.953 12.168 6.185 368 3HD1 LEU 46 HD13 LEU 46 1.670 13.777 6.287 369 1HD2 LEU 46 HD21 LEU 46 1.858 11.622 2.660 370 2HD2 LEU 46 HD22 LEU 46 2.369 10.962 4.213 371 3HD2 LEU 46 HD23 LEU 46 3.370 12.161 3.392 372 H ARG 47 HN ARG 47 -2.646 14.399 3.250 373 HA ARG 47 HA ARG 47 -3.843 12.334 1.731 374 1HB ARG 47 HB2 ARG 47 -4.781 14.688 3.266 375 2HB ARG 47 HB1 ARG 47 -5.875 14.082 2.031 376 1HG ARG 47 HG2 ARG 47 -5.992 11.947 3.060 377 2HG ARG 47 HG1 ARG 47 -4.669 12.336 4.160 378 1HD ARG 47 HD2 ARG 47 -6.059 13.286 5.618 379 2HD ARG 47 HD1 ARG 47 -6.804 14.273 4.361 380 HE ARG 47 HE ARG 47 -8.543 12.796 4.293 381 1HH1 ARG 47 HH11 ARG 47 -5.839 11.253 5.872 382 2HH1 ARG 47 HH12 ARG 47 -6.744 9.848 6.323 383 1HH2 ARG 47 HH21 ARG 47 -9.734 10.948 4.886 384 2HH2 ARG 47 HH22 ARG 47 -8.955 9.673 5.763 385 H ASP 48 HN ASP 48 -3.455 15.819 1.140 386 HA ASP 48 HA ASP 48 -4.582 15.575 -1.499 387 1HB ASP 48 HB2 ASP 48 -3.737 17.800 0.250 388 2HB ASP 48 HB1 ASP 48 -3.586 18.086 -1.481 389 H GLU 49 HN GLU 49 -1.743 14.740 -0.304 390 HA GLU 49 HA GLU 49 -0.151 15.617 -2.602 391 1HB GLU 49 HB2 GLU 49 0.855 15.986 -0.403 392 2HB GLU 49 HB1 GLU 49 0.698 14.276 -0.027 393 1HG GLU 49 HG2 GLU 49 2.579 13.764 -1.093 394 2HG GLU 49 HG1 GLU 49 2.143 14.732 -2.500 395 H MET 50 HN MET 50 -1.557 12.822 -1.084 396 HA MET 50 HA MET 50 -0.171 10.942 -2.796 397 1HB MET 50 HB2 MET 50 -0.931 10.545 -0.364 398 2HB MET 50 HB1 MET 50 -2.535 10.312 -1.045 399 1HG MET 50 HG2 MET 50 -0.149 8.757 -1.984 400 2HG MET 50 HG1 MET 50 -1.146 8.240 -0.626 401 1HE MET 50 HE1 MET 50 -4.609 7.627 -2.276 402 2HE MET 50 HE2 MET 50 -4.111 9.217 -1.696 403 3HE MET 50 HE3 MET 50 -3.687 7.771 -0.779 404 H ARG 51 HN ARG 51 -3.384 12.364 -2.493 405 HA ARG 51 HA ARG 51 -4.753 10.803 -4.347 406 1HB ARG 51 HB2 ARG 51 -5.125 13.414 -3.075 407 2HB ARG 51 HB1 ARG 51 -5.861 13.306 -4.667 408 1HG ARG 51 HG2 ARG 51 -7.535 12.665 -3.162 409 2HG ARG 51 HG1 ARG 51 -6.942 11.157 -3.862 410 1HD ARG 51 HD2 ARG 51 -5.498 10.848 -1.884 411 2HD ARG 51 HD1 ARG 51 -6.185 12.311 -1.181 412 HE ARG 51 HE ARG 51 -8.363 10.794 -1.690 413 1HH1 ARG 51 HH11 ARG 51 -5.374 10.178 0.002 414 2HH1 ARG 51 HH12 ARG 51 -6.082 9.039 1.097 415 1HH2 ARG 51 HH21 ARG 51 -9.297 9.296 -0.251 416 2HH2 ARG 51 HH22 ARG 51 -8.310 8.538 0.953 417 H ALA 52 HN ALA 52 -2.464 13.386 -4.822 418 HA ALA 52 HA ALA 52 -3.069 13.607 -7.657 419 1HB ALA 52 HB1 ALA 52 -1.176 15.267 -7.618 420 2HB ALA 52 HB2 ALA 52 -1.093 15.012 -5.875 421 3HB ALA 52 HB3 ALA 52 -2.560 15.668 -6.602 422 H LEU 53 HN LEU 53 -0.448 12.459 -5.571 423 HA LEU 53 HA LEU 53 1.306 11.734 -7.675 424 1HB LEU 53 HB2 LEU 53 1.141 11.255 -4.756 425 2HB LEU 53 HB1 LEU 53 2.105 10.118 -5.680 426 HG LEU 53 HG LEU 53 2.515 13.110 -5.654 427 1HD1 LEU 53 HD11 LEU 53 4.191 12.849 -4.112 428 2HD1 LEU 53 HD12 LEU 53 4.438 11.147 -4.505 429 3HD1 LEU 53 HD13 LEU 53 3.038 11.637 -3.552 430 1HD2 LEU 53 HD21 LEU 53 4.760 12.291 -6.658 431 2HD2 LEU 53 HD22 LEU 53 3.344 12.419 -7.701 432 3HD2 LEU 53 HD23 LEU 53 3.845 10.845 -7.083 433 H ALA 54 HN ALA 54 -1.349 10.116 -6.090 434 HA ALA 54 HA ALA 54 -0.717 7.542 -7.254 435 1HB ALA 54 HB1 ALA 54 -3.070 7.027 -6.265 436 2HB ALA 54 HB2 ALA 54 -2.851 8.568 -5.437 437 3HB ALA 54 HB3 ALA 54 -1.694 7.261 -5.187 438 H GLY 55 HN GLY 55 -1.876 10.270 -8.597 439 1HA GLY 55 HA2 GLY 55 -3.143 10.749 -10.450 440 2HA GLY 55 HA1 GLY 55 -2.774 9.105 -10.948 441 H ASN 56 HN ASN 56 -4.723 10.367 -8.254 442 HA ASN 56 HA ASN 56 -7.244 9.914 -9.341 443 1HB ASN 56 HB2 ASN 56 -6.553 7.531 -9.386 444 2HB ASN 56 HB1 ASN 56 -6.274 7.596 -7.651 445 1HD2 ASN 56 HD21 ASN 56 -7.783 6.054 -7.156 446 2HD2 ASN 56 HD22 ASN 56 -9.484 6.314 -7.316 447 HA PRO 57 HA PRO 57 -7.645 12.053 -5.497 448 1HB PRO 57 HB2 PRO 57 -9.852 13.438 -6.567 449 2HB PRO 57 HB1 PRO 57 -8.192 14.004 -6.463 450 1HG PRO 57 HG2 PRO 57 -9.593 13.475 -8.805 451 2HG PRO 57 HG1 PRO 57 -7.833 13.627 -8.663 452 1HD PRO 57 HD2 PRO 57 -9.526 11.173 -8.756 453 2HD PRO 57 HD1 PRO 57 -7.914 11.471 -9.446 454 H LYS 58 HN LYS 58 -9.051 9.453 -6.265 455 HA LYS 58 HA LYS 58 -11.219 9.720 -4.317 456 1HB LYS 58 HB2 LYS 58 -11.434 8.780 -7.133 457 2HB LYS 58 HB1 LYS 58 -12.370 7.922 -5.916 458 1HG LYS 58 HG2 LYS 58 -12.497 10.900 -6.055 459 2HG LYS 58 HG1 LYS 58 -13.421 9.920 -7.195 460 1HD LYS 58 HD2 LYS 58 -14.225 8.663 -5.071 461 2HD LYS 58 HD1 LYS 58 -13.673 10.106 -4.217 462 1HE LYS 58 HE2 LYS 58 -15.360 11.377 -5.008 463 2HE LYS 58 HE1 LYS 58 -15.337 10.604 -6.592 464 1HZ LYS 58 HZ1 LYS 58 -17.271 9.752 -5.861 465 2HZ LYS 58 HZ2 LYS 58 -16.883 9.937 -4.225 466 3HZ LYS 58 HZ3 LYS 58 -16.274 8.620 -5.095 467 H ALA 59 HN ALA 59 -8.378 8.430 -4.795 468 HA ALA 59 HA ALA 59 -8.682 5.646 -4.542 469 1HB ALA 59 HB1 ALA 59 -6.427 5.585 -4.396 470 2HB ALA 59 HB2 ALA 59 -6.356 6.900 -3.224 471 3HB ALA 59 HB3 ALA 59 -6.576 7.257 -4.937 472 H THR 60 HN THR 60 -7.211 4.915 -2.323 473 HA THR 60 HA THR 60 -8.698 5.895 0.000 474 HB THR 60 HB THR 60 -8.804 3.352 0.664 475 HG1 THR 60 HG1 THR 60 -7.708 2.637 -1.219 476 1HG2 THR 60 HG21 THR 60 -11.001 3.466 0.340 477 2HG2 THR 60 HG22 THR 60 -10.826 3.744 -1.393 478 3HG2 THR 60 HG23 THR 60 -10.686 5.092 -0.265 479 HA PRO 61 HA PRO 61 -5.144 5.784 2.573 480 1HB PRO 61 HB2 PRO 61 -5.870 3.351 3.998 481 2HB PRO 61 HB1 PRO 61 -5.776 5.007 4.594 482 1HG PRO 61 HG2 PRO 61 -8.110 3.491 3.759 483 2HG PRO 61 HG1 PRO 61 -8.034 5.045 4.598 484 1HD PRO 61 HD2 PRO 61 -8.902 4.743 2.021 485 2HD PRO 61 HD1 PRO 61 -8.180 6.239 2.649 486 HA PRO 62 HA PRO 62 -3.392 1.372 1.627 487 1HB PRO 62 HB2 PRO 62 -5.343 0.111 -0.153 488 2HB PRO 62 HB1 PRO 62 -4.610 -0.515 1.325 489 1HG PRO 62 HG2 PRO 62 -7.211 0.190 1.187 490 2HG PRO 62 HG1 PRO 62 -6.254 0.359 2.670 491 1HD PRO 62 HD2 PRO 62 -7.032 2.446 0.666 492 2HD PRO 62 HD1 PRO 62 -6.992 2.543 2.438 493 H GLN 63 HN GLN 63 -1.985 2.609 0.376 494 HA GLN 63 HA GLN 63 -2.279 2.221 -2.505 495 1HB GLN 63 HB2 GLN 63 -1.704 4.905 -1.233 496 2HB GLN 63 HB1 GLN 63 -1.553 4.559 -2.949 497 1HG GLN 63 HG2 GLN 63 -4.141 4.054 -1.563 498 2HG GLN 63 HG1 GLN 63 -3.697 5.695 -2.024 499 1HE2 GLN 63 HE21 GLN 63 -5.278 2.979 -2.988 500 2HE2 GLN 63 HE22 GLN 63 -5.289 3.241 -4.696 501 H ILE 64 HN ILE 64 -0.592 0.872 -2.742 502 HA ILE 64 HA ILE 64 1.890 1.263 -1.339 503 HB ILE 64 HB ILE 64 1.338 -0.646 -3.610 504 1HG1 ILE 64 HG12 ILE 64 1.342 -1.662 -0.842 505 2HG1 ILE 64 HG11 ILE 64 -0.026 -0.629 -1.244 506 1HG2 ILE 64 HG21 ILE 64 3.683 -0.392 -3.200 507 2HG2 ILE 64 HG22 ILE 64 3.171 -1.944 -2.535 508 3HG2 ILE 64 HG23 ILE 64 3.448 -0.572 -1.462 509 1HD1 ILE 64 HD11 ILE 64 0.791 -3.012 -2.881 510 2HD1 ILE 64 HD12 ILE 64 -0.697 -2.073 -3.004 511 3HD1 ILE 64 HD13 ILE 64 -0.400 -3.071 -1.581 512 H VAL 65 HN VAL 65 3.801 2.010 -2.115 513 HA VAL 65 HA VAL 65 3.871 2.967 -4.898 514 HB VAL 65 HB VAL 65 4.937 4.470 -2.503 515 1HG1 VAL 65 HG11 VAL 65 4.700 5.802 -5.116 516 2HG1 VAL 65 HG12 VAL 65 5.955 4.569 -5.002 517 3HG1 VAL 65 HG13 VAL 65 5.954 5.932 -3.883 518 1HG2 VAL 65 HG21 VAL 65 2.431 4.430 -2.800 519 2HG2 VAL 65 HG22 VAL 65 2.685 5.288 -4.321 520 3HG2 VAL 65 HG23 VAL 65 3.178 6.028 -2.797 521 H ASN 66 HN ASN 66 5.730 2.605 -5.983 522 HA ASN 66 HA ASN 66 7.751 0.990 -4.634 523 1HB ASN 66 HB2 ASN 66 6.566 0.689 -7.062 524 2HB ASN 66 HB1 ASN 66 8.040 1.535 -7.523 525 1HD2 ASN 66 HD21 ASN 66 9.754 0.503 -5.571 526 2HD2 ASN 66 HD22 ASN 66 10.006 -1.175 -5.899 527 H GLY 67 HN GLY 67 8.691 2.741 -3.437 528 1HA GLY 67 HA2 GLY 67 10.515 4.127 -3.135 529 2HA GLY 67 HA1 GLY 67 10.872 3.968 -4.847 530 H ASP 68 HN ASP 68 9.039 5.074 -6.240 531 HA ASP 68 HA ASP 68 7.912 7.451 -5.091 532 1HB ASP 68 HB2 ASP 68 10.428 7.910 -5.548 533 2HB ASP 68 HB1 ASP 68 9.951 7.944 -7.243 534 H GLN 69 HN GLN 69 7.026 5.124 -6.596 535 HA GLN 69 HA GLN 69 5.717 6.554 -8.791 536 1HB GLN 69 HB2 GLN 69 7.587 4.353 -9.063 537 2HB GLN 69 HB1 GLN 69 6.022 3.954 -9.751 538 1HG GLN 69 HG2 GLN 69 6.297 6.352 -10.832 539 2HG GLN 69 HG1 GLN 69 8.005 5.989 -10.589 540 1HE2 GLN 69 HE21 GLN 69 8.413 3.521 -11.194 541 2HE2 GLN 69 HE22 GLN 69 7.869 3.106 -12.780 542 H TYR 70 HN TYR 70 3.750 5.488 -9.536 543 HA TYR 70 HA TYR 70 2.247 4.470 -7.303 544 1HB TYR 70 HB2 TYR 70 1.382 6.103 -9.051 545 2HB TYR 70 HB1 TYR 70 1.294 4.733 -10.153 546 HD1 TYR 70 HD1 TYR 70 -1.009 4.498 -10.505 547 HD2 TYR 70 HD2 TYR 70 0.468 4.806 -6.527 548 HE1 TYR 70 HE1 TYR 70 -3.243 3.945 -9.638 549 HE2 TYR 70 HE2 TYR 70 -1.760 4.252 -5.650 550 HH TYR 70 HH TYR 70 -4.127 2.869 -7.379 551 H CYS 71 HN CYS 71 2.789 2.421 -6.777 552 HA CYS 71 HA CYS 71 3.241 0.401 -8.776 553 1HB CYS 71 HB2 CYS 71 4.149 0.685 -6.262 554 2HB CYS 71 HB1 CYS 71 2.784 -0.382 -5.949 555 HG CYS 71 HG CYS 71 5.354 -1.146 -7.454 556 H GLY 72 HN GLY 72 0.804 0.813 -6.187 557 1HA GLY 72 HA2 GLY 72 -1.387 0.131 -7.786 558 2HA GLY 72 HA1 GLY 72 -0.814 -1.343 -7.024 559 H ASP 73 HN ASP 73 -2.622 -1.646 -5.766 560 HA ASP 73 HA ASP 73 -2.810 0.116 -3.440 561 1HB ASP 73 HB2 ASP 73 -5.327 -0.844 -4.784 562 2HB ASP 73 HB1 ASP 73 -5.141 0.427 -3.581 563 H TYR 74 HN TYR 74 -5.017 -1.115 -2.248 564 HA TYR 74 HA TYR 74 -3.807 -3.406 -1.106 565 1HB TYR 74 HB2 TYR 74 -5.286 -2.042 0.223 566 2HB TYR 74 HB1 TYR 74 -6.618 -2.317 -0.892 567 HD1 TYR 74 HD1 TYR 74 -7.599 -4.632 -1.063 568 HD2 TYR 74 HD2 TYR 74 -4.845 -3.544 1.991 569 HE1 TYR 74 HE1 TYR 74 -8.311 -6.577 0.263 570 HE2 TYR 74 HE2 TYR 74 -5.548 -5.485 3.325 571 HH TYR 74 HH TYR 74 -6.841 -8.001 2.376 572 H GLU 75 HN GLU 75 -6.631 -3.031 -3.245 573 HA GLU 75 HA GLU 75 -7.389 -5.669 -3.455 574 1HB GLU 75 HB2 GLU 75 -8.191 -3.306 -4.544 575 2HB GLU 75 HB1 GLU 75 -7.536 -4.126 -5.951 576 1HG GLU 75 HG2 GLU 75 -9.186 -5.908 -4.420 577 2HG GLU 75 HG1 GLU 75 -10.062 -4.431 -4.815 578 H LEU 76 HN LEU 76 -5.181 -3.907 -5.633 579 HA LEU 76 HA LEU 76 -4.538 -5.986 -7.341 580 1HB LEU 76 HB2 LEU 76 -2.791 -3.719 -6.388 581 2HB LEU 76 HB1 LEU 76 -2.412 -4.758 -7.749 582 HG LEU 76 HG LEU 76 -4.872 -3.896 -8.479 583 1HD1 LEU 76 HD11 LEU 76 -5.490 -1.936 -7.609 584 2HD1 LEU 76 HD12 LEU 76 -3.847 -1.296 -7.650 585 3HD1 LEU 76 HD13 LEU 76 -4.367 -2.307 -6.301 586 1HD2 LEU 76 HD21 LEU 76 -2.971 -3.864 -9.930 587 2HD2 LEU 76 HD22 LEU 76 -2.196 -2.603 -8.972 588 3HD2 LEU 76 HD23 LEU 76 -3.655 -2.238 -9.892 589 H PHE 77 HN PHE 77 -2.372 -4.861 -4.749 590 HA PHE 77 HA PHE 77 -0.575 -6.909 -4.735 591 1HB PHE 77 HB2 PHE 77 -0.240 -4.961 -3.367 592 2HB PHE 77 HB1 PHE 77 -1.659 -5.333 -2.397 593 HD1 PHE 77 HD1 PHE 77 -1.609 -7.422 -0.961 594 HD2 PHE 77 HD2 PHE 77 1.868 -5.784 -2.788 595 HE1 PHE 77 HE1 PHE 77 -0.195 -8.666 0.622 596 HE2 PHE 77 HE2 PHE 77 3.287 -7.025 -1.209 597 HZ PHE 77 HZ PHE 77 2.256 -8.468 0.499 598 H VAL 78 HN VAL 78 -3.503 -6.790 -2.693 599 HA VAL 78 HA VAL 78 -3.188 -9.368 -1.607 600 HB VAL 78 HB VAL 78 -5.799 -7.900 -1.982 601 1HG1 VAL 78 HG11 VAL 78 -6.752 -9.421 -0.637 602 2HG1 VAL 78 HG12 VAL 78 -5.345 -9.507 0.424 603 3HG1 VAL 78 HG13 VAL 78 -5.378 -10.437 -1.074 604 1HG2 VAL 78 HG21 VAL 78 -5.301 -6.483 -0.312 605 2HG2 VAL 78 HG22 VAL 78 -3.626 -6.873 -0.700 606 3HG2 VAL 78 HG23 VAL 78 -4.446 -7.717 0.613 607 H GLU 79 HN GLU 79 -4.805 -8.225 -4.520 608 HA GLU 79 HA GLU 79 -6.092 -10.707 -5.092 609 1HB GLU 79 HB2 GLU 79 -6.909 -8.543 -5.958 610 2HB GLU 79 HB1 GLU 79 -5.467 -8.416 -6.957 611 1HG GLU 79 HG2 GLU 79 -6.650 -10.934 -7.476 612 2HG GLU 79 HG1 GLU 79 -7.924 -9.716 -7.528 613 H ALA 80 HN ALA 80 -2.875 -9.838 -5.202 614 HA ALA 80 HA ALA 80 -2.245 -11.474 -7.533 615 1HB ALA 80 HB1 ALA 80 -1.145 -9.252 -7.115 616 2HB ALA 80 HB2 ALA 80 -0.044 -10.600 -7.397 617 3HB ALA 80 HB3 ALA 80 -0.309 -10.006 -5.758 618 H VAL 81 HN VAL 81 -1.293 -11.306 -4.093 619 HA VAL 81 HA VAL 81 0.206 -13.635 -3.969 620 HB VAL 81 HB VAL 81 -1.599 -12.596 -1.777 621 1HG1 VAL 81 HG11 VAL 81 0.477 -13.569 -0.457 622 2HG1 VAL 81 HG12 VAL 81 0.596 -14.595 -1.887 623 3HG1 VAL 81 HG13 VAL 81 -0.883 -14.588 -0.926 624 1HG2 VAL 81 HG21 VAL 81 0.224 -11.066 -2.972 625 2HG2 VAL 81 HG22 VAL 81 1.287 -11.926 -1.859 626 3HG2 VAL 81 HG23 VAL 81 -0.077 -10.997 -1.236 627 H GLU 82 HN GLU 82 -3.251 -13.212 -3.969 628 HA GLU 82 HA GLU 82 -4.107 -15.670 -2.996 629 1HB GLU 82 HB2 GLU 82 -6.113 -15.230 -4.559 630 2HB GLU 82 HB1 GLU 82 -5.775 -14.073 -3.278 631 1HG GLU 82 HG2 GLU 82 -5.574 -12.440 -4.746 632 2HG GLU 82 HG1 GLU 82 -4.327 -13.323 -5.625 633 H GLN 83 HN GLN 83 -3.359 -14.758 -6.357 634 HA GLN 83 HA GLN 83 -3.631 -17.568 -7.145 635 1HB GLN 83 HB2 GLN 83 -4.506 -15.286 -8.370 636 2HB GLN 83 HB1 GLN 83 -2.998 -15.582 -9.222 637 1HG GLN 83 HG2 GLN 83 -4.108 -18.061 -9.225 638 2HG GLN 83 HG1 GLN 83 -5.537 -17.032 -9.323 639 1HE2 GLN 83 HE21 GLN 83 -6.122 -16.369 -11.262 640 2HE2 GLN 83 HE22 GLN 83 -5.126 -16.349 -12.672 641 H ASN 84 HN ASN 84 -1.305 -15.875 -5.823 642 HA ASN 84 HA ASN 84 0.927 -16.189 -5.656 643 1HB ASN 84 HB2 ASN 84 0.112 -18.504 -7.019 644 2HB ASN 84 HB1 ASN 84 1.456 -17.865 -7.960 645 1HD2 ASN 84 HD21 ASN 84 0.459 -18.964 -4.787 646 2HD2 ASN 84 HD22 ASN 84 2.043 -19.352 -4.215 647 H THR 85 HN THR 85 -0.562 -14.367 -7.540 648 HA THR 85 HA THR 85 1.344 -13.880 -9.648 649 HB THR 85 HB THR 85 -0.400 -11.704 -9.543 650 HG1 THR 85 HG1 THR 85 -2.405 -12.591 -9.206 651 1HG2 THR 85 HG21 THR 85 -0.010 -14.038 -11.232 652 2HG2 THR 85 HG22 THR 85 -0.347 -12.361 -11.664 653 3HG2 THR 85 HG23 THR 85 -1.670 -13.442 -11.227 654 H LEU 86 HN LEU 86 0.873 -12.935 -6.411 655 HA LEU 86 HA LEU 86 1.581 -10.420 -5.991 656 1HB LEU 86 HB2 LEU 86 1.425 -12.043 -4.201 657 2HB LEU 86 HB1 LEU 86 2.924 -12.795 -4.713 658 HG LEU 86 HG LEU 86 4.031 -10.541 -4.236 659 1HD1 LEU 86 HD11 LEU 86 2.870 -8.845 -3.384 660 2HD1 LEU 86 HD12 LEU 86 2.056 -9.885 -2.215 661 3HD1 LEU 86 HD13 LEU 86 1.419 -9.731 -3.852 662 1HD2 LEU 86 HD21 LEU 86 3.522 -12.771 -2.648 663 2HD2 LEU 86 HD22 LEU 86 3.185 -11.388 -1.608 664 3HD2 LEU 86 HD23 LEU 86 4.758 -11.541 -2.388 665 H GLN 87 HN GLN 87 3.851 -12.833 -7.245 666 HA GLN 87 HA GLN 87 6.201 -11.354 -7.083 667 1HB GLN 87 HB2 GLN 87 6.331 -13.656 -7.715 668 2HB GLN 87 HB1 GLN 87 5.310 -13.392 -9.123 669 1HG GLN 87 HG2 GLN 87 7.014 -12.212 -10.259 670 2HG GLN 87 HG1 GLN 87 7.994 -12.083 -8.801 671 1HE2 GLN 87 HE21 GLN 87 6.287 -14.903 -10.050 672 2HE2 GLN 87 HE22 GLN 87 7.695 -15.873 -10.300 673 H GLU 88 HN GLU 88 3.933 -11.565 -9.825 674 HA GLU 88 HA GLU 88 5.105 -9.859 -11.603 675 1HB GLU 88 HB2 GLU 88 2.216 -10.346 -10.942 676 2HB GLU 88 HB1 GLU 88 2.669 -9.201 -12.197 677 1HG GLU 88 HG2 GLU 88 3.643 -12.038 -12.191 678 2HG GLU 88 HG1 GLU 88 2.112 -11.564 -12.924 679 H PHE 89 HN PHE 89 3.625 -9.043 -8.577 680 HA PHE 89 HA PHE 89 3.727 -6.187 -9.200 681 1HB PHE 89 HB2 PHE 89 1.644 -7.022 -8.222 682 2HB PHE 89 HB1 PHE 89 2.530 -7.653 -6.840 683 HD1 PHE 89 HD1 PHE 89 0.908 -4.805 -8.282 684 HD2 PHE 89 HD2 PHE 89 3.685 -6.033 -5.302 685 HE1 PHE 89 HE1 PHE 89 0.594 -2.665 -7.114 686 HE2 PHE 89 HE2 PHE 89 3.377 -3.893 -4.128 687 HZ PHE 89 HZ PHE 89 1.830 -2.204 -5.033 688 H LEU 90 HN LEU 90 5.350 -8.643 -7.393 689 HA LEU 90 HA LEU 90 6.812 -6.677 -5.799 690 1HB LEU 90 HB2 LEU 90 6.024 -9.403 -5.440 691 2HB LEU 90 HB1 LEU 90 7.769 -9.297 -5.315 692 HG LEU 90 HG LEU 90 6.872 -9.082 -3.116 693 1HD1 LEU 90 HD11 LEU 90 7.397 -6.221 -3.724 694 2HD1 LEU 90 HD12 LEU 90 8.662 -7.400 -4.070 695 3HD1 LEU 90 HD13 LEU 90 8.030 -7.240 -2.431 696 1HD2 LEU 90 HD21 LEU 90 5.400 -6.764 -2.986 697 2HD2 LEU 90 HD22 LEU 90 4.751 -8.403 -2.961 698 3HD2 LEU 90 HD23 LEU 90 4.832 -7.510 -4.479 699 H LYS 91 HN LYS 91 7.859 -9.670 -7.429 700 HA LYS 91 HA LYS 91 10.372 -8.362 -8.118 701 1HB LYS 91 HB2 LYS 91 9.747 -11.225 -8.746 702 2HB LYS 91 HB1 LYS 91 11.299 -10.482 -8.392 703 1HG LYS 91 HG2 LYS 91 9.809 -10.093 -6.083 704 2HG LYS 91 HG1 LYS 91 9.396 -11.725 -6.611 705 1HD LYS 91 HD2 LYS 91 12.019 -11.886 -6.942 706 2HD LYS 91 HD1 LYS 91 12.006 -10.614 -5.719 707 1HE LYS 91 HE2 LYS 91 10.528 -12.117 -4.339 708 2HE LYS 91 HE1 LYS 91 10.866 -13.393 -5.507 709 1HZ LYS 91 HZ1 LYS 91 12.374 -13.624 -3.704 710 2HZ LYS 91 HZ2 LYS 91 12.818 -11.993 -3.767 711 3HZ LYS 91 HZ3 LYS 91 13.264 -13.038 -5.019 712 H LEU 92 HN LEU 92 7.404 -8.822 -9.560 713 HA LEU 92 HA LEU 92 6.618 -8.579 -11.667 714 1HB LEU 92 HB2 LEU 92 9.339 -7.573 -12.450 715 2HB LEU 92 HB1 LEU 92 7.794 -7.175 -13.170 716 HG LEU 92 HG LEU 92 8.259 -5.260 -11.975 717 1HD1 LEU 92 HD11 LEU 92 6.688 -7.052 -10.137 718 2HD1 LEU 92 HD12 LEU 92 6.081 -5.865 -11.293 719 3HD1 LEU 92 HD13 LEU 92 6.922 -5.330 -9.839 720 1HD2 LEU 92 HD21 LEU 92 10.208 -6.627 -10.792 721 2HD2 LEU 92 HD22 LEU 92 9.073 -6.558 -9.445 722 3HD2 LEU 92 HD23 LEU 92 9.645 -5.066 -10.193 723 H ALA 93 HN ALA 93 9.994 -9.308 -12.481 724 HA ALA 93 HA ALA 93 9.154 -11.907 -13.535 725 1HB ALA 93 HB1 ALA 93 10.811 -11.238 -15.512 726 2HB ALA 93 HB2 ALA 93 10.205 -9.631 -15.111 727 3HB ALA 93 HB3 ALA 93 9.080 -10.909 -15.571 728 H LEU 94 HN LEU 94 11.878 -9.722 -12.894 729 HA LEU 94 HA LEU 94 13.889 -11.693 -12.943 730 1HB LEU 94 HB2 LEU 94 15.211 -10.019 -11.621 731 2HB LEU 94 HB1 LEU 94 14.553 -9.428 -13.135 732 HG LEU 94 HG LEU 94 12.848 -8.949 -10.782 733 1HD1 LEU 94 HD11 LEU 94 15.321 -7.276 -11.087 734 2HD1 LEU 94 HD12 LEU 94 15.244 -8.640 -9.972 735 3HD1 LEU 94 HD13 LEU 94 14.142 -7.276 -9.775 736 1HD2 LEU 94 HD21 LEU 94 12.904 -8.075 -13.341 737 2HD2 LEU 94 HD22 LEU 94 13.752 -6.761 -12.525 738 3HD2 LEU 94 HD23 LEU 94 12.125 -7.212 -12.015 739 H GLU 95 HN GLU 95 12.876 -13.428 -11.760 740 HA GLU 95 HA GLU 95 12.305 -13.157 -8.971 741 1HB GLU 95 HB2 GLU 95 11.223 -14.841 -10.456 742 2HB GLU 95 HB1 GLU 95 12.762 -15.683 -10.567 743 1HG GLU 95 HG2 GLU 95 12.728 -16.096 -8.171 744 2HG GLU 95 HG1 GLU 95 11.206 -15.216 -8.033 Start of MODEL 16 1 1H MET 1 HT1 MET 1 17.668 6.863 -1.978 2 2H MET 1 HT2 MET 1 16.081 7.048 -2.604 3 3H MET 1 HT3 MET 1 17.235 6.104 -3.453 4 HA MET 1 HA MET 1 17.342 4.672 -1.438 5 1HB MET 1 HB2 MET 1 15.906 6.687 -0.328 6 2HB MET 1 HB1 MET 1 14.607 5.592 -0.781 7 1HG MET 1 HG2 MET 1 16.964 4.530 0.699 8 2HG MET 1 HG1 MET 1 15.725 5.435 1.568 9 1HE MET 1 HE1 MET 1 15.840 2.865 2.909 10 2HE MET 1 HE2 MET 1 16.833 2.227 1.599 11 3HE MET 1 HE3 MET 1 15.349 1.397 2.065 12 H SER 2 HN SER 2 16.123 2.709 -1.528 13 HA SER 2 HA SER 2 14.164 2.559 -3.713 14 1HB SER 2 HB2 SER 2 16.697 1.699 -4.087 15 2HB SER 2 HB1 SER 2 15.982 0.239 -3.404 16 HG SER 2 HG SER 2 15.040 1.680 -5.662 17 H GLY 3 HN GLY 3 12.383 2.228 -2.469 18 1HA GLY 3 HA2 GLY 3 12.123 -0.372 -1.234 19 2HA GLY 3 HA1 GLY 3 12.048 0.967 -0.099 20 H LEU 4 HN LEU 4 9.901 -0.617 -0.208 21 HA LEU 4 HA LEU 4 7.963 0.559 -2.043 22 1HB LEU 4 HB2 LEU 4 7.987 -1.820 -0.236 23 2HB LEU 4 HB1 LEU 4 6.448 -1.141 -0.730 24 HG LEU 4 HG LEU 4 7.627 -1.354 -3.141 25 1HD1 LEU 4 HD11 LEU 4 8.535 -3.905 -1.932 26 2HD1 LEU 4 HD12 LEU 4 9.563 -2.487 -1.731 27 3HD1 LEU 4 HD13 LEU 4 9.135 -3.043 -3.349 28 1HD2 LEU 4 HD21 LEU 4 5.478 -2.228 -2.795 29 2HD2 LEU 4 HD22 LEU 4 6.043 -3.363 -1.569 30 3HD2 LEU 4 HD23 LEU 4 6.460 -3.617 -3.263 31 H ARG 5 HN ARG 5 6.502 2.046 -1.477 32 HA ARG 5 HA ARG 5 6.357 2.806 1.363 33 1HB ARG 5 HB2 ARG 5 5.601 4.520 -1.003 34 2HB ARG 5 HB1 ARG 5 5.820 5.033 0.664 35 1HG ARG 5 HG2 ARG 5 8.212 4.499 0.496 36 2HG ARG 5 HG1 ARG 5 7.975 4.044 -1.192 37 1HD ARG 5 HD2 ARG 5 7.074 6.366 -1.572 38 2HD ARG 5 HD1 ARG 5 7.631 6.763 0.053 39 HE ARG 5 HE ARG 5 9.240 6.461 -2.305 40 1HH1 ARG 5 HH11 ARG 5 9.233 6.297 1.182 41 2HH1 ARG 5 HH12 ARG 5 10.933 6.594 1.324 42 1HH2 ARG 5 HH21 ARG 5 11.477 6.851 -2.119 43 2HH2 ARG 5 HH22 ARG 5 12.207 6.909 -0.550 44 H VAL 6 HN VAL 6 4.663 1.702 2.183 45 HA VAL 6 HA VAL 6 2.186 1.480 0.670 46 HB VAL 6 HB VAL 6 2.774 0.442 3.443 47 1HG1 VAL 6 HG11 VAL 6 0.941 -1.229 2.392 48 2HG1 VAL 6 HG12 VAL 6 0.480 0.278 1.601 49 3HG1 VAL 6 HG13 VAL 6 0.534 0.187 3.361 50 1HG2 VAL 6 HG21 VAL 6 2.971 -1.040 0.824 51 2HG2 VAL 6 HG22 VAL 6 3.295 -1.685 2.433 52 3HG2 VAL 6 HG23 VAL 6 4.349 -0.448 1.751 53 H TYR 7 HN TYR 7 0.658 2.972 0.812 54 HA TYR 7 HA TYR 7 0.715 4.979 2.878 55 1HB TYR 7 HB2 TYR 7 -0.951 4.498 0.432 56 2HB TYR 7 HB1 TYR 7 -1.485 5.663 1.637 57 HD1 TYR 7 HD1 TYR 7 0.907 4.965 -1.016 58 HD2 TYR 7 HD2 TYR 7 -0.168 7.702 2.058 59 HE1 TYR 7 HE1 TYR 7 2.352 6.671 -2.039 60 HE2 TYR 7 HE2 TYR 7 1.275 9.416 1.044 61 HH TYR 7 HH TYR 7 3.600 8.761 -1.218 62 H SER 8 HN SER 8 -0.907 5.405 4.394 63 HA SER 8 HA SER 8 -3.077 3.517 4.731 64 1HB SER 8 HB2 SER 8 -1.432 3.825 7.185 65 2HB SER 8 HB1 SER 8 -2.378 2.446 6.626 66 HG SER 8 HG SER 8 -0.186 1.965 6.480 67 H THR 9 HN THR 9 -4.159 4.081 7.011 68 HA THR 9 HA THR 9 -4.207 7.013 7.268 69 HB THR 9 HB THR 9 -6.165 6.503 6.026 70 HG1 THR 9 HG1 THR 9 -6.649 7.877 7.714 71 1HG2 THR 9 HG21 THR 9 -7.816 4.853 6.672 72 2HG2 THR 9 HG22 THR 9 -6.806 4.350 8.027 73 3HG2 THR 9 HG23 THR 9 -6.254 4.090 6.372 74 H SER 10 HN SER 10 -3.251 7.302 9.197 75 HA SER 10 HA SER 10 -3.331 5.541 11.370 76 1HB SER 10 HB2 SER 10 -1.789 7.596 10.904 77 2HB SER 10 HB1 SER 10 -3.031 8.502 11.768 78 HG SER 10 HG SER 10 -1.732 6.195 12.788 79 H VAL 11 HN VAL 11 -5.502 8.102 10.389 80 HA VAL 11 HA VAL 11 -7.297 7.344 12.595 81 HB VAL 11 HB VAL 11 -7.027 10.162 11.548 82 1HG1 VAL 11 HG11 VAL 11 -9.137 9.047 12.800 83 2HG1 VAL 11 HG12 VAL 11 -8.693 10.747 12.951 84 3HG1 VAL 11 HG13 VAL 11 -8.200 9.592 14.190 85 1HG2 VAL 11 HG21 VAL 11 -5.580 8.737 13.707 86 2HG2 VAL 11 HG22 VAL 11 -6.119 10.382 14.044 87 3HG2 VAL 11 HG23 VAL 11 -5.054 10.066 12.674 88 H THR 12 HN THR 12 -8.654 6.090 11.380 89 HA THR 12 HA THR 12 -9.959 7.383 9.078 90 HB THR 12 HB THR 12 -8.755 5.323 8.503 91 HG1 THR 12 HG1 THR 12 -10.690 5.778 7.392 92 1HG2 THR 12 HG21 THR 12 -8.834 3.420 9.635 93 2HG2 THR 12 HG22 THR 12 -10.593 3.468 9.753 94 3HG2 THR 12 HG23 THR 12 -9.606 4.339 10.927 95 H GLY 13 HN GLY 13 -12.260 6.725 8.738 96 1HA GLY 13 HA2 GLY 13 -13.634 6.602 11.348 97 2HA GLY 13 HA1 GLY 13 -14.261 7.436 9.935 98 H SER 14 HN SER 14 -13.486 5.237 8.133 99 HA SER 14 HA SER 14 -15.888 3.808 8.122 100 1HB SER 14 HB2 SER 14 -13.229 3.308 6.788 101 2HB SER 14 HB1 SER 14 -14.615 2.248 6.535 102 HG SER 14 HG SER 14 -15.213 3.648 5.100 103 H ARG 15 HN ARG 15 -15.778 1.261 8.001 104 HA ARG 15 HA ARG 15 -14.544 0.358 10.499 105 1HB ARG 15 HB2 ARG 15 -17.082 0.440 10.350 106 2HB ARG 15 HB1 ARG 15 -16.942 -0.883 9.199 107 1HG ARG 15 HG2 ARG 15 -16.468 -2.403 10.796 108 2HG ARG 15 HG1 ARG 15 -15.541 -1.256 11.765 109 1HD ARG 15 HD2 ARG 15 -18.210 -0.364 11.805 110 2HD ARG 15 HD1 ARG 15 -18.263 -2.107 12.067 111 HE ARG 15 HE ARG 15 -16.286 -0.834 13.684 112 1HH1 ARG 15 HH11 ARG 15 -19.702 -1.505 13.438 113 2HH1 ARG 15 HH12 ARG 15 -19.973 -1.405 15.145 114 1HH2 ARG 15 HH21 ARG 15 -16.640 -0.702 15.930 115 2HH2 ARG 15 HH22 ARG 15 -18.234 -0.948 16.561 116 H GLU 16 HN GLU 16 -14.568 -0.010 7.239 117 HA GLU 16 HA GLU 16 -13.471 -2.724 7.294 118 1HB GLU 16 HB2 GLU 16 -13.597 -2.449 4.744 119 2HB GLU 16 HB1 GLU 16 -15.112 -2.596 5.623 120 1HG GLU 16 HG2 GLU 16 -14.194 0.158 5.287 121 2HG GLU 16 HG1 GLU 16 -14.536 -0.682 3.775 122 H ILE 17 HN ILE 17 -12.673 0.592 6.513 123 HA ILE 17 HA ILE 17 -10.242 0.215 5.197 124 HB ILE 17 HB ILE 17 -11.008 2.480 7.045 125 1HG1 ILE 17 HG12 ILE 17 -11.328 2.169 4.051 126 2HG1 ILE 17 HG11 ILE 17 -12.630 2.147 5.236 127 1HG2 ILE 17 HG21 ILE 17 -8.677 2.617 6.706 128 2HG2 ILE 17 HG22 ILE 17 -9.392 3.758 5.566 129 3HG2 ILE 17 HG23 ILE 17 -8.822 2.188 5.001 130 1HD1 ILE 17 HD11 ILE 17 -12.835 4.311 4.752 131 2HD1 ILE 17 HD12 ILE 17 -11.231 4.396 4.023 132 3HD1 ILE 17 HD13 ILE 17 -11.413 4.527 5.773 133 H LYS 18 HN LYS 18 -11.054 0.029 8.584 134 HA LYS 18 HA LYS 18 -8.415 0.229 9.608 135 1HB LYS 18 HB2 LYS 18 -11.009 -0.822 10.702 136 2HB LYS 18 HB1 LYS 18 -9.513 -1.009 11.605 137 1HG LYS 18 HG2 LYS 18 -9.342 1.219 12.060 138 2HG LYS 18 HG1 LYS 18 -10.208 1.696 10.598 139 1HD LYS 18 HD2 LYS 18 -11.854 2.135 12.096 140 2HD LYS 18 HD1 LYS 18 -12.185 0.417 11.867 141 1HE LYS 18 HE2 LYS 18 -12.149 0.590 14.168 142 2HE LYS 18 HE1 LYS 18 -10.492 0.103 13.814 143 1HZ LYS 18 HZ1 LYS 18 -9.726 2.292 14.127 144 2HZ LYS 18 HZ2 LYS 18 -10.766 1.990 15.426 145 3HZ LYS 18 HZ3 LYS 18 -11.290 2.938 14.128 146 H SER 19 HN SER 19 -10.308 -2.387 8.292 147 HA SER 19 HA SER 19 -8.567 -4.464 9.256 148 1HB SER 19 HB2 SER 19 -10.530 -4.755 6.989 149 2HB SER 19 HB1 SER 19 -9.989 -5.979 8.137 150 HG SER 19 HG SER 19 -12.146 -5.003 8.478 151 H GLN 20 HN GLN 20 -8.827 -2.492 6.391 152 HA GLN 20 HA GLN 20 -7.264 -4.047 4.645 153 1HB GLN 20 HB2 GLN 20 -7.362 -1.034 4.634 154 2HB GLN 20 HB1 GLN 20 -7.116 -2.113 3.269 155 1HG GLN 20 HG2 GLN 20 -9.652 -1.649 4.809 156 2HG GLN 20 HG1 GLN 20 -9.320 -1.252 3.125 157 1HE2 GLN 20 HE21 GLN 20 -10.754 -3.432 5.155 158 2HE2 GLN 20 HE22 GLN 20 -10.885 -4.775 4.076 159 H GLN 21 HN GLN 21 -6.308 -1.162 6.516 160 HA GLN 21 HA GLN 21 -3.571 -1.333 5.976 161 1HB GLN 21 HB2 GLN 21 -3.313 0.072 8.046 162 2HB GLN 21 HB1 GLN 21 -4.446 0.702 6.858 163 1HG GLN 21 HG2 GLN 21 -6.293 0.201 8.162 164 2HG GLN 21 HG1 GLN 21 -5.412 -0.978 9.132 165 1HE2 GLN 21 HE21 GLN 21 -6.537 2.176 8.951 166 2HE2 GLN 21 HE22 GLN 21 -5.684 2.832 10.302 167 H SER 22 HN SER 22 -5.533 -2.869 8.449 168 HA SER 22 HA SER 22 -3.337 -3.865 9.974 169 1HB SER 22 HB2 SER 22 -5.854 -3.544 10.644 170 2HB SER 22 HB1 SER 22 -6.035 -5.173 9.993 171 HG SER 22 HG SER 22 -4.148 -4.433 11.981 172 H GLU 23 HN GLU 23 -5.250 -5.076 7.295 173 HA GLU 23 HA GLU 23 -4.248 -7.749 7.429 174 1HB GLU 23 HB2 GLU 23 -6.405 -7.227 6.381 175 2HB GLU 23 HB1 GLU 23 -5.583 -6.278 5.149 176 1HG GLU 23 HG2 GLU 23 -6.016 -8.302 4.103 177 2HG GLU 23 HG1 GLU 23 -4.327 -8.434 4.590 178 H VAL 24 HN VAL 24 -3.432 -4.871 5.540 179 HA VAL 24 HA VAL 24 -1.575 -6.031 3.803 180 HB VAL 24 HB VAL 24 -1.438 -3.230 4.925 181 1HG1 VAL 24 HG11 VAL 24 0.477 -3.315 3.726 182 2HG1 VAL 24 HG12 VAL 24 -0.621 -3.023 2.378 183 3HG1 VAL 24 HG13 VAL 24 -0.076 -4.662 2.731 184 1HG2 VAL 24 HG21 VAL 24 -2.683 -3.589 2.308 185 2HG2 VAL 24 HG22 VAL 24 -3.189 -2.603 3.680 186 3HG2 VAL 24 HG23 VAL 24 -3.595 -4.318 3.630 187 H THR 25 HN THR 25 -0.967 -4.306 6.868 188 HA THR 25 HA THR 25 1.793 -4.795 6.947 189 HB THR 25 HB THR 25 0.155 -4.575 9.450 190 HG1 THR 25 HG1 THR 25 0.553 -2.584 7.487 191 1HG2 THR 25 HG21 THR 25 2.777 -4.602 9.241 192 2HG2 THR 25 HG22 THR 25 1.950 -3.548 10.388 193 3HG2 THR 25 HG23 THR 25 2.526 -2.900 8.853 194 H ARG 26 HN ARG 26 -0.942 -6.737 7.926 195 HA ARG 26 HA ARG 26 0.359 -8.584 9.576 196 1HB ARG 26 HB2 ARG 26 -2.145 -8.311 9.166 197 2HB ARG 26 HB1 ARG 26 -1.909 -9.274 7.714 198 1HG ARG 26 HG2 ARG 26 -0.987 -11.090 9.132 199 2HG ARG 26 HG1 ARG 26 -1.399 -10.129 10.554 200 1HD ARG 26 HD2 ARG 26 -3.647 -10.349 8.753 201 2HD ARG 26 HD1 ARG 26 -3.037 -11.940 9.206 202 HE ARG 26 HE ARG 26 -3.190 -10.586 11.564 203 1HH1 ARG 26 HH11 ARG 26 -5.453 -11.302 9.007 204 2HH1 ARG 26 HH12 ARG 26 -6.828 -11.326 10.060 205 1HH2 ARG 26 HH21 ARG 26 -4.996 -10.617 12.951 206 2HH2 ARG 26 HH22 ARG 26 -6.569 -10.937 12.299 207 H ILE 27 HN ILE 27 -0.094 -8.539 6.065 208 HA ILE 27 HA ILE 27 1.178 -11.063 5.638 209 HB ILE 27 HB ILE 27 0.770 -8.862 3.614 210 1HG1 ILE 27 HG12 ILE 27 -1.098 -11.150 4.267 211 2HG1 ILE 27 HG11 ILE 27 -1.330 -9.498 4.832 212 1HG2 ILE 27 HG21 ILE 27 2.021 -10.321 2.434 213 2HG2 ILE 27 HG22 ILE 27 0.487 -11.174 2.268 214 3HG2 ILE 27 HG23 ILE 27 1.645 -11.674 3.501 215 1HD1 ILE 27 HD11 ILE 27 -2.648 -10.194 2.801 216 2HD1 ILE 27 HD12 ILE 27 -1.119 -10.195 1.922 217 3HD1 ILE 27 HD13 ILE 27 -1.716 -8.705 2.652 218 H LEU 28 HN LEU 28 2.184 -7.696 5.040 219 HA LEU 28 HA LEU 28 4.776 -8.262 4.159 220 1HB LEU 28 HB2 LEU 28 3.715 -5.833 5.601 221 2HB LEU 28 HB1 LEU 28 5.286 -5.916 4.827 222 HG LEU 28 HG LEU 28 2.940 -6.573 3.138 223 1HD1 LEU 28 HD11 LEU 28 2.617 -4.406 4.693 224 2HD1 LEU 28 HD12 LEU 28 2.005 -4.523 3.043 225 3HD1 LEU 28 HD13 LEU 28 3.529 -3.694 3.361 226 1HD2 LEU 28 HD21 LEU 28 4.453 -4.872 1.733 227 2HD2 LEU 28 HD22 LEU 28 4.791 -6.600 1.836 228 3HD2 LEU 28 HD23 LEU 28 5.667 -5.468 2.865 229 H ASP 29 HN ASP 29 3.571 -7.544 7.418 230 HA ASP 29 HA ASP 29 6.011 -7.551 8.766 231 1HB ASP 29 HB2 ASP 29 3.822 -6.834 9.733 232 2HB ASP 29 HB1 ASP 29 3.360 -8.529 9.849 233 H GLY 30 HN GLY 30 3.722 -10.241 8.277 234 1HA GLY 30 HA2 GLY 30 5.229 -12.219 9.563 235 2HA GLY 30 HA1 GLY 30 4.039 -12.515 8.304 236 H LYS 31 HN LYS 31 5.525 -10.847 6.370 237 HA LYS 31 HA LYS 31 7.262 -12.917 5.384 238 1HB LYS 31 HB2 LYS 31 6.533 -10.189 4.316 239 2HB LYS 31 HB1 LYS 31 7.610 -11.301 3.482 240 1HG LYS 31 HG2 LYS 31 5.888 -12.856 3.106 241 2HG LYS 31 HG1 LYS 31 4.818 -12.069 4.268 242 1HD LYS 31 HD2 LYS 31 3.916 -11.147 2.416 243 2HD LYS 31 HD1 LYS 31 5.271 -10.026 2.561 244 1HE LYS 31 HE2 LYS 31 5.055 -10.874 0.279 245 2HE LYS 31 HE1 LYS 31 6.576 -11.380 1.013 246 1HZ LYS 31 HZ1 LYS 31 4.336 -13.210 1.311 247 2HZ LYS 31 HZ2 LYS 31 5.967 -13.535 1.001 248 3HZ LYS 31 HZ3 LYS 31 4.949 -13.042 -0.257 249 H ARG 32 HN ARG 32 7.694 -10.383 7.522 250 HA ARG 32 HA ARG 32 9.520 -9.428 8.475 251 1HB ARG 32 HB2 ARG 32 10.638 -11.881 7.212 252 2HB ARG 32 HB1 ARG 32 11.778 -10.661 7.764 253 1HG ARG 32 HG2 ARG 32 9.653 -11.450 9.660 254 2HG ARG 32 HG1 ARG 32 10.905 -12.644 9.313 255 1HD ARG 32 HD2 ARG 32 11.740 -9.854 9.915 256 2HD ARG 32 HD1 ARG 32 11.178 -10.862 11.248 257 HE ARG 32 HE ARG 32 13.008 -12.404 9.917 258 1HH1 ARG 32 HH11 ARG 32 13.048 -9.266 11.445 259 2HH1 ARG 32 HH12 ARG 32 14.721 -9.360 11.878 260 1HH2 ARG 32 HH21 ARG 32 15.210 -12.529 10.488 261 2HH2 ARG 32 HH22 ARG 32 15.950 -11.211 11.335 262 H ILE 33 HN ILE 33 8.565 -8.162 6.249 263 HA ILE 33 HA ILE 33 10.775 -7.551 4.482 264 HB ILE 33 HB ILE 33 8.053 -6.249 4.583 265 1HG1 ILE 33 HG12 ILE 33 9.017 -8.606 2.947 266 2HG1 ILE 33 HG11 ILE 33 7.810 -8.654 4.228 267 1HG2 ILE 33 HG21 ILE 33 9.558 -4.884 3.369 268 2HG2 ILE 33 HG22 ILE 33 8.614 -5.768 2.170 269 3HG2 ILE 33 HG23 ILE 33 10.262 -6.273 2.541 270 1HD1 ILE 33 HD11 ILE 33 6.209 -7.610 2.930 271 2HD1 ILE 33 HD12 ILE 33 7.044 -8.641 1.769 272 3HD1 ILE 33 HD13 ILE 33 7.403 -6.915 1.835 273 H GLN 34 HN GLN 34 11.468 -5.355 4.125 274 HA GLN 34 HA GLN 34 11.437 -3.759 6.601 275 1HB GLN 34 HB2 GLN 34 13.643 -2.915 5.949 276 2HB GLN 34 HB1 GLN 34 13.649 -4.668 6.083 277 1HG GLN 34 HG2 GLN 34 13.182 -3.395 3.428 278 2HG GLN 34 HG1 GLN 34 14.818 -3.498 4.078 279 1HE2 GLN 34 HE21 GLN 34 12.628 -5.002 2.163 280 2HE2 GLN 34 HE22 GLN 34 13.235 -6.618 2.232 281 H TYR 35 HN TYR 35 9.331 -3.321 5.033 282 HA TYR 35 HA TYR 35 9.935 -1.086 3.255 283 1HB TYR 35 HB2 TYR 35 7.787 -1.356 2.345 284 2HB TYR 35 HB1 TYR 35 8.313 -3.001 2.680 285 HD1 TYR 35 HD1 TYR 35 5.746 -0.595 3.162 286 HD2 TYR 35 HD2 TYR 35 7.521 -4.038 4.920 287 HE1 TYR 35 HE1 TYR 35 3.711 -0.956 4.495 288 HE2 TYR 35 HE2 TYR 35 5.491 -4.410 6.256 289 HH TYR 35 HH TYR 35 3.457 -2.528 7.076 290 H GLN 36 HN GLN 36 8.670 0.898 3.403 291 HA GLN 36 HA GLN 36 8.338 1.706 6.195 292 1HB GLN 36 HB2 GLN 36 8.227 4.027 5.167 293 2HB GLN 36 HB1 GLN 36 9.761 3.183 5.012 294 1HG GLN 36 HG2 GLN 36 7.940 2.726 2.779 295 2HG GLN 36 HG1 GLN 36 8.409 4.412 2.986 296 1HE2 GLN 36 HE21 GLN 36 9.102 2.737 0.802 297 2HE2 GLN 36 HE22 GLN 36 10.823 2.579 0.789 298 H LEU 37 HN LEU 37 6.565 3.620 6.295 299 HA LEU 37 HA LEU 37 4.144 2.695 4.925 300 1HB LEU 37 HB2 LEU 37 4.450 1.848 7.354 301 2HB LEU 37 HB1 LEU 37 4.062 3.494 7.813 302 HG LEU 37 HG LEU 37 2.014 2.921 6.102 303 1HD1 LEU 37 HD11 LEU 37 3.048 0.382 7.212 304 2HD1 LEU 37 HD12 LEU 37 2.172 0.695 5.714 305 3HD1 LEU 37 HD13 LEU 37 1.302 0.622 7.246 306 1HD2 LEU 37 HD21 LEU 37 2.091 3.867 8.493 307 2HD2 LEU 37 HD22 LEU 37 1.846 2.198 9.006 308 3HD2 LEU 37 HD23 LEU 37 0.646 2.992 7.986 309 H VAL 38 HN VAL 38 3.886 4.411 3.637 310 HA VAL 38 HA VAL 38 4.300 7.099 4.584 311 HB VAL 38 HB VAL 38 3.166 7.641 2.286 312 1HG1 VAL 38 HG11 VAL 38 5.500 8.044 2.773 313 2HG1 VAL 38 HG12 VAL 38 5.338 7.344 1.163 314 3HG1 VAL 38 HG13 VAL 38 5.877 6.342 2.510 315 1HG2 VAL 38 HG21 VAL 38 2.393 5.243 2.027 316 2HG2 VAL 38 HG22 VAL 38 4.077 4.832 1.709 317 3HG2 VAL 38 HG23 VAL 38 3.225 5.946 0.641 318 H ASP 39 HN ASP 39 2.804 7.021 6.344 319 HA ASP 39 HA ASP 39 -0.016 6.788 5.809 320 1HB ASP 39 HB2 ASP 39 1.656 6.773 8.114 321 2HB ASP 39 HB1 ASP 39 0.470 8.056 8.325 322 H ILE 40 HN ILE 40 -1.095 8.325 4.795 323 HA ILE 40 HA ILE 40 -0.160 11.010 4.587 324 HB ILE 40 HB ILE 40 -2.301 11.430 3.400 325 1HG1 ILE 40 HG12 ILE 40 -2.835 8.480 3.735 326 2HG1 ILE 40 HG11 ILE 40 -3.560 9.692 4.787 327 1HG2 ILE 40 HG21 ILE 40 -1.706 9.199 1.837 328 2HG2 ILE 40 HG22 ILE 40 -0.200 9.599 2.662 329 3HG2 ILE 40 HG23 ILE 40 -1.023 10.817 1.689 330 1HD1 ILE 40 HD11 ILE 40 -4.140 10.671 2.310 331 2HD1 ILE 40 HD12 ILE 40 -5.221 9.691 3.303 332 3HD1 ILE 40 HD13 ILE 40 -4.234 8.928 2.056 333 H SER 41 HN SER 41 -1.804 9.444 7.045 334 HA SER 41 HA SER 41 -3.614 11.510 7.815 335 1HB SER 41 HB2 SER 41 -2.485 9.122 9.281 336 2HB SER 41 HB1 SER 41 -3.636 10.238 10.016 337 HG SER 41 HG SER 41 -4.160 8.985 7.540 338 H GLN 42 HN GLN 42 -0.249 10.845 8.393 339 HA GLN 42 HA GLN 42 0.126 12.439 10.685 340 1HB GLN 42 HB2 GLN 42 1.720 10.723 9.634 341 2HB GLN 42 HB1 GLN 42 2.211 12.021 8.554 342 1HG GLN 42 HG2 GLN 42 2.231 12.775 11.372 343 2HG GLN 42 HG1 GLN 42 3.329 11.453 10.980 344 1HE2 GLN 42 HE21 GLN 42 3.224 14.646 11.363 345 2HE2 GLN 42 HE22 GLN 42 4.463 15.144 10.267 346 H ASP 43 HN ASP 43 0.925 13.192 7.285 347 HA ASP 43 HA ASP 43 0.743 16.047 7.973 348 1HB ASP 43 HB2 ASP 43 2.845 14.792 6.843 349 2HB ASP 43 HB1 ASP 43 1.951 15.230 5.391 350 H ASN 44 HN ASN 44 -0.694 17.338 6.973 351 HA ASN 44 HA ASN 44 -2.860 16.187 5.559 352 1HB ASN 44 HB2 ASN 44 -2.045 19.034 6.115 353 2HB ASN 44 HB1 ASN 44 -3.478 18.644 5.168 354 1HD2 ASN 44 HD21 ASN 44 -1.935 18.206 8.296 355 2HD2 ASN 44 HD22 ASN 44 -3.395 17.981 9.191 356 H ALA 45 HN ALA 45 0.197 17.318 4.537 357 HA ALA 45 HA ALA 45 -0.556 18.085 1.879 358 1HB ALA 45 HB1 ALA 45 2.075 17.646 1.638 359 2HB ALA 45 HB2 ALA 45 1.968 17.802 3.392 360 3HB ALA 45 HB3 ALA 45 1.406 19.112 2.354 361 H LEU 46 HN LEU 46 0.488 15.132 3.442 362 HA LEU 46 HA LEU 46 1.148 13.664 1.132 363 1HB LEU 46 HB2 LEU 46 0.192 12.819 3.860 364 2HB LEU 46 HB1 LEU 46 0.620 11.665 2.611 365 HG LEU 46 HG LEU 46 2.655 13.722 3.243 366 1HD1 LEU 46 HD11 LEU 46 1.542 12.818 5.430 367 2HD1 LEU 46 HD12 LEU 46 3.298 12.918 5.295 368 3HD1 LEU 46 HD13 LEU 46 2.482 11.371 5.067 369 1HD2 LEU 46 HD21 LEU 46 2.514 10.897 2.338 370 2HD2 LEU 46 HD22 LEU 46 3.957 11.417 3.209 371 3HD2 LEU 46 HD23 LEU 46 3.480 12.238 1.722 372 H ARG 47 HN ARG 47 -1.890 14.341 2.734 373 HA ARG 47 HA ARG 47 -3.483 12.423 1.425 374 1HB ARG 47 HB2 ARG 47 -3.985 14.033 3.449 375 2HB ARG 47 HB1 ARG 47 -4.592 15.095 2.186 376 1HG ARG 47 HG2 ARG 47 -5.985 13.078 1.433 377 2HG ARG 47 HG1 ARG 47 -5.596 12.400 3.015 378 1HD ARG 47 HD2 ARG 47 -6.530 14.419 4.077 379 2HD ARG 47 HD1 ARG 47 -6.973 15.030 2.483 380 HE ARG 47 HE ARG 47 -8.386 13.100 4.027 381 1HH1 ARG 47 HH11 ARG 47 -7.611 14.023 0.752 382 2HH1 ARG 47 HH12 ARG 47 -9.032 13.296 0.079 383 1HH2 ARG 47 HH21 ARG 47 -10.255 12.144 3.144 384 2HH2 ARG 47 HH22 ARG 47 -10.533 12.230 1.436 385 H ASP 48 HN ASP 48 -2.876 15.854 0.681 386 HA ASP 48 HA ASP 48 -4.278 15.629 -1.823 387 1HB ASP 48 HB2 ASP 48 -3.216 17.805 -0.184 388 2HB ASP 48 HB1 ASP 48 -2.989 18.058 -1.911 389 H GLU 49 HN GLU 49 -1.402 14.613 -0.882 390 HA GLU 49 HA GLU 49 0.008 15.284 -3.361 391 1HB GLU 49 HB2 GLU 49 1.257 15.651 -1.287 392 2HB GLU 49 HB1 GLU 49 1.015 13.971 -0.828 393 1HG GLU 49 HG2 GLU 49 2.390 13.209 -2.624 394 2HG GLU 49 HG1 GLU 49 2.492 14.834 -3.301 395 H MET 50 HN MET 50 -1.432 12.664 -1.583 396 HA MET 50 HA MET 50 -0.370 10.608 -3.315 397 1HB MET 50 HB2 MET 50 -1.027 10.426 -0.798 398 2HB MET 50 HB1 MET 50 -2.658 10.207 -1.416 399 1HG MET 50 HG2 MET 50 -0.946 8.488 -2.874 400 2HG MET 50 HG1 MET 50 -0.574 8.299 -1.162 401 1HE MET 50 HE1 MET 50 -3.485 8.614 -3.698 402 2HE MET 50 HE2 MET 50 -4.241 9.362 -2.291 403 3HE MET 50 HE3 MET 50 -4.823 7.806 -2.881 404 H ARG 51 HN ARG 51 -3.424 12.312 -2.839 405 HA ARG 51 HA ARG 51 -5.029 10.799 -4.553 406 1HB ARG 51 HB2 ARG 51 -5.146 13.453 -3.308 407 2HB ARG 51 HB1 ARG 51 -6.017 13.349 -4.831 408 1HG ARG 51 HG2 ARG 51 -7.604 12.828 -3.206 409 2HG ARG 51 HG1 ARG 51 -7.120 11.264 -3.865 410 1HD ARG 51 HD2 ARG 51 -5.593 10.947 -1.980 411 2HD ARG 51 HD1 ARG 51 -6.082 12.508 -1.322 412 HE ARG 51 HE ARG 51 -8.425 11.194 -1.531 413 1HH1 ARG 51 HH11 ARG 51 -5.357 10.332 -0.107 414 2HH1 ARG 51 HH12 ARG 51 -6.064 9.315 1.103 415 1HH2 ARG 51 HH21 ARG 51 -9.355 9.857 0.060 416 2HH2 ARG 51 HH22 ARG 51 -8.334 9.045 1.198 417 H ALA 52 HN ALA 52 -2.915 13.557 -5.216 418 HA ALA 52 HA ALA 52 -3.607 13.641 -8.008 419 1HB ALA 52 HB1 ALA 52 -2.968 15.732 -7.423 420 2HB ALA 52 HB2 ALA 52 -1.381 15.128 -7.899 421 3HB ALA 52 HB3 ALA 52 -1.837 15.162 -6.196 422 H LEU 53 HN LEU 53 -0.797 12.579 -6.114 423 HA LEU 53 HA LEU 53 0.781 11.770 -8.302 424 1HB LEU 53 HB2 LEU 53 1.748 12.126 -6.112 425 2HB LEU 53 HB1 LEU 53 0.769 10.841 -5.431 426 HG LEU 53 HG LEU 53 1.980 9.219 -6.893 427 1HD1 LEU 53 HD11 LEU 53 4.134 11.204 -7.328 428 2HD1 LEU 53 HD12 LEU 53 2.725 11.289 -8.386 429 3HD1 LEU 53 HD13 LEU 53 3.669 9.802 -8.291 430 1HD2 LEU 53 HD21 LEU 53 4.095 9.301 -5.583 431 2HD2 LEU 53 HD22 LEU 53 2.637 9.425 -4.598 432 3HD2 LEU 53 HD23 LEU 53 3.589 10.867 -4.950 433 H ALA 54 HN ALA 54 -1.719 10.156 -6.453 434 HA ALA 54 HA ALA 54 -1.239 7.577 -7.639 435 1HB ALA 54 HB1 ALA 54 -2.112 7.697 -5.390 436 2HB ALA 54 HB2 ALA 54 -3.287 6.908 -6.442 437 3HB ALA 54 HB3 ALA 54 -3.526 8.586 -5.955 438 H GLY 55 HN GLY 55 -2.629 10.373 -8.803 439 1HA GLY 55 HA2 GLY 55 -3.971 10.835 -10.606 440 2HA GLY 55 HA1 GLY 55 -3.543 9.229 -11.179 441 H ASN 56 HN ASN 56 -5.402 10.272 -8.336 442 HA ASN 56 HA ASN 56 -7.952 9.722 -9.319 443 1HB ASN 56 HB2 ASN 56 -7.115 7.384 -9.467 444 2HB ASN 56 HB1 ASN 56 -6.784 7.418 -7.739 445 1HD2 ASN 56 HD21 ASN 56 -8.190 5.854 -7.132 446 2HD2 ASN 56 HD22 ASN 56 -9.906 5.992 -7.275 447 HA PRO 57 HA PRO 57 -8.274 11.727 -5.395 448 1HB PRO 57 HB2 PRO 57 -10.607 13.013 -6.314 449 2HB PRO 57 HB1 PRO 57 -8.978 13.669 -6.276 450 1HG PRO 57 HG2 PRO 57 -10.465 13.124 -8.561 451 2HG PRO 57 HG1 PRO 57 -8.711 13.370 -8.501 452 1HD PRO 57 HD2 PRO 57 -10.270 10.828 -8.580 453 2HD PRO 57 HD1 PRO 57 -8.716 11.234 -9.343 454 H LYS 58 HN LYS 58 -9.567 9.071 -6.171 455 HA LYS 58 HA LYS 58 -11.693 9.183 -4.154 456 1HB LYS 58 HB2 LYS 58 -11.871 7.560 -6.695 457 2HB LYS 58 HB1 LYS 58 -13.103 7.712 -5.450 458 1HG LYS 58 HG2 LYS 58 -12.808 10.295 -6.094 459 2HG LYS 58 HG1 LYS 58 -12.376 9.552 -7.635 460 1HD LYS 58 HD2 LYS 58 -14.840 8.684 -6.173 461 2HD LYS 58 HD1 LYS 58 -14.857 10.146 -7.161 462 1HE LYS 58 HE2 LYS 58 -13.749 7.642 -8.331 463 2HE LYS 58 HE1 LYS 58 -15.498 7.795 -8.170 464 1HZ LYS 58 HZ1 LYS 58 -14.009 10.011 -9.379 465 2HZ LYS 58 HZ2 LYS 58 -15.585 9.479 -9.685 466 3HZ LYS 58 HZ3 LYS 58 -14.267 8.619 -10.306 467 H ALA 59 HN ALA 59 -8.754 8.065 -4.773 468 HA ALA 59 HA ALA 59 -8.856 5.291 -4.385 469 1HB ALA 59 HB1 ALA 59 -6.884 7.057 -4.910 470 2HB ALA 59 HB2 ALA 59 -6.606 5.393 -4.397 471 3HB ALA 59 HB3 ALA 59 -6.553 6.701 -3.215 472 H THR 60 HN THR 60 -7.186 4.816 -2.186 473 HA THR 60 HA THR 60 -8.561 5.822 0.169 474 HB THR 60 HB THR 60 -8.746 3.329 0.936 475 HG1 THR 60 HG1 THR 60 -8.874 3.051 -1.883 476 1HG2 THR 60 HG21 THR 60 -10.592 5.090 -0.138 477 2HG2 THR 60 HG22 THR 60 -10.932 3.598 0.740 478 3HG2 THR 60 HG23 THR 60 -10.845 3.585 -1.022 479 HA PRO 61 HA PRO 61 -4.845 5.677 2.491 480 1HB PRO 61 HB2 PRO 61 -5.594 3.375 4.106 481 2HB PRO 61 HB1 PRO 61 -5.384 5.056 4.591 482 1HG PRO 61 HG2 PRO 61 -7.836 3.614 4.001 483 2HG PRO 61 HG1 PRO 61 -7.632 5.212 4.731 484 1HD PRO 61 HD2 PRO 61 -8.677 4.790 2.236 485 2HD PRO 61 HD1 PRO 61 -7.858 6.287 2.724 486 HA PRO 62 HA PRO 62 -3.414 1.085 1.757 487 1HB PRO 62 HB2 PRO 62 -5.532 -0.021 0.038 488 2HB PRO 62 HB1 PRO 62 -4.754 -0.726 1.457 489 1HG PRO 62 HG2 PRO 62 -7.291 0.145 1.526 490 2HG PRO 62 HG1 PRO 62 -6.213 0.288 2.927 491 1HD PRO 62 HD2 PRO 62 -7.023 2.376 0.938 492 2HD PRO 62 HD1 PRO 62 -6.845 2.506 2.699 493 H GLN 63 HN GLN 63 -1.888 2.031 0.454 494 HA GLN 63 HA GLN 63 -2.160 1.560 -2.381 495 1HB GLN 63 HB2 GLN 63 -1.756 4.362 -1.320 496 2HB GLN 63 HB1 GLN 63 -1.505 3.891 -2.994 497 1HG GLN 63 HG2 GLN 63 -4.109 3.705 -1.501 498 2HG GLN 63 HG1 GLN 63 -3.668 4.973 -2.642 499 1HE2 GLN 63 HE21 GLN 63 -5.933 3.535 -3.041 500 2HE2 GLN 63 HE22 GLN 63 -5.745 2.492 -4.405 501 H ILE 64 HN ILE 64 -0.354 0.472 -2.777 502 HA ILE 64 HA ILE 64 2.088 1.136 -1.313 503 HB ILE 64 HB ILE 64 1.651 -1.174 -3.202 504 1HG1 ILE 64 HG12 ILE 64 1.568 -2.380 -0.839 505 2HG1 ILE 64 HG11 ILE 64 0.957 -0.812 -0.320 506 1HG2 ILE 64 HG21 ILE 64 3.538 -2.145 -1.855 507 2HG2 ILE 64 HG22 ILE 64 3.746 -0.549 -1.135 508 3HG2 ILE 64 HG23 ILE 64 3.966 -0.768 -2.871 509 1HD1 ILE 64 HD11 ILE 64 -0.490 -2.903 -1.440 510 2HD1 ILE 64 HD12 ILE 64 -0.380 -1.686 -2.711 511 3HD1 ILE 64 HD13 ILE 64 -1.049 -1.258 -1.137 512 H VAL 65 HN VAL 65 3.834 2.041 -2.218 513 HA VAL 65 HA VAL 65 3.762 2.550 -5.120 514 HB VAL 65 HB VAL 65 5.046 4.232 -2.963 515 1HG1 VAL 65 HG11 VAL 65 6.185 5.307 -4.538 516 2HG1 VAL 65 HG12 VAL 65 4.729 5.536 -5.506 517 3HG1 VAL 65 HG13 VAL 65 5.683 4.065 -5.683 518 1HG2 VAL 65 HG21 VAL 65 2.650 4.438 -2.875 519 2HG2 VAL 65 HG22 VAL 65 2.567 4.674 -4.621 520 3HG2 VAL 65 HG23 VAL 65 3.321 5.899 -3.600 521 H ASN 66 HN ASN 66 5.531 2.089 -6.330 522 HA ASN 66 HA ASN 66 7.646 0.559 -5.010 523 1HB ASN 66 HB2 ASN 66 6.232 -0.106 -7.175 524 2HB ASN 66 HB1 ASN 66 7.517 0.792 -7.976 525 1HD2 ASN 66 HD21 ASN 66 6.978 -1.779 -5.608 526 2HD2 ASN 66 HD22 ASN 66 8.364 -2.712 -6.046 527 H GLY 67 HN GLY 67 8.193 2.934 -4.264 528 1HA GLY 67 HA2 GLY 67 10.353 4.023 -4.346 529 2HA GLY 67 HA1 GLY 67 10.306 3.873 -6.095 530 H ASP 68 HN ASP 68 8.415 5.050 -7.145 531 HA ASP 68 HA ASP 68 7.388 7.339 -5.737 532 1HB ASP 68 HB2 ASP 68 8.413 8.964 -7.397 533 2HB ASP 68 HB1 ASP 68 9.516 8.296 -6.197 534 H GLN 69 HN GLN 69 6.418 5.030 -7.288 535 HA GLN 69 HA GLN 69 4.772 6.539 -9.189 536 1HB GLN 69 HB2 GLN 69 6.628 4.384 -9.809 537 2HB GLN 69 HB1 GLN 69 4.995 4.022 -10.340 538 1HG GLN 69 HG2 GLN 69 6.249 6.657 -10.980 539 2HG GLN 69 HG1 GLN 69 6.610 5.227 -11.946 540 1HE2 GLN 69 HE21 GLN 69 4.259 7.609 -11.122 541 2HE2 GLN 69 HE22 GLN 69 3.078 7.164 -12.302 542 H TYR 70 HN TYR 70 2.747 5.460 -9.721 543 HA TYR 70 HA TYR 70 1.583 4.273 -7.370 544 1HB TYR 70 HB2 TYR 70 0.478 5.979 -8.934 545 2HB TYR 70 HB1 TYR 70 0.216 4.627 -10.029 546 HD1 TYR 70 HD1 TYR 70 -0.053 4.779 -6.314 547 HD2 TYR 70 HD2 TYR 70 -2.077 4.247 -10.018 548 HE1 TYR 70 HE1 TYR 70 -2.113 4.204 -5.099 549 HE2 TYR 70 HE2 TYR 70 -4.142 3.672 -8.814 550 HH TYR 70 HH TYR 70 -5.121 4.151 -6.501 551 H CYS 71 HN CYS 71 2.266 2.213 -7.059 552 HA CYS 71 HA CYS 71 2.456 0.331 -9.229 553 1HB CYS 71 HB2 CYS 71 3.714 0.503 -6.847 554 2HB CYS 71 HB1 CYS 71 2.457 -0.659 -6.437 555 HG CYS 71 HG CYS 71 3.457 -2.330 -8.067 556 H GLY 72 HN GLY 72 0.550 0.290 -6.200 557 1HA GLY 72 HA2 GLY 72 -1.878 -0.349 -7.543 558 2HA GLY 72 HA1 GLY 72 -1.145 -1.795 -6.866 559 H ASP 73 HN ASP 73 -3.311 -1.690 -5.728 560 HA ASP 73 HA ASP 73 -2.977 -0.194 -3.215 561 1HB ASP 73 HB2 ASP 73 -5.367 0.186 -3.106 562 2HB ASP 73 HB1 ASP 73 -4.761 0.797 -4.642 563 H TYR 74 HN TYR 74 -5.109 -1.246 -1.819 564 HA TYR 74 HA TYR 74 -4.090 -3.629 -0.816 565 1HB TYR 74 HB2 TYR 74 -5.590 -2.240 0.490 566 2HB TYR 74 HB1 TYR 74 -6.901 -2.527 -0.648 567 HD1 TYR 74 HD1 TYR 74 -8.309 -4.403 -0.418 568 HD2 TYR 74 HD2 TYR 74 -4.714 -4.187 1.846 569 HE1 TYR 74 HE1 TYR 74 -9.026 -6.354 0.895 570 HE2 TYR 74 HE2 TYR 74 -5.421 -6.138 3.165 571 HH TYR 74 HH TYR 74 -8.053 -8.112 2.263 572 H GLU 75 HN GLU 75 -6.850 -3.143 -3.011 573 HA GLU 75 HA GLU 75 -7.566 -5.815 -3.309 574 1HB GLU 75 HB2 GLU 75 -8.477 -3.398 -4.227 575 2HB GLU 75 HB1 GLU 75 -7.892 -4.153 -5.700 576 1HG GLU 75 HG2 GLU 75 -9.421 -6.021 -4.145 577 2HG GLU 75 HG1 GLU 75 -10.342 -4.547 -4.435 578 H LEU 76 HN LEU 76 -5.285 -3.835 -5.183 579 HA LEU 76 HA LEU 76 -4.695 -5.765 -7.131 580 1HB LEU 76 HB2 LEU 76 -4.231 -3.293 -7.195 581 2HB LEU 76 HB1 LEU 76 -2.882 -3.589 -6.115 582 HG LEU 76 HG LEU 76 -3.107 -4.962 -8.778 583 1HD1 LEU 76 HD11 LEU 76 -1.252 -2.725 -8.626 584 2HD1 LEU 76 HD12 LEU 76 -2.941 -2.233 -8.483 585 3HD1 LEU 76 HD13 LEU 76 -2.407 -3.158 -9.888 586 1HD2 LEU 76 HD21 LEU 76 -0.467 -4.532 -8.099 587 2HD2 LEU 76 HD22 LEU 76 -1.361 -6.040 -7.910 588 3HD2 LEU 76 HD23 LEU 76 -1.238 -4.912 -6.558 589 H PHE 77 HN PHE 77 -2.761 -4.756 -4.301 590 HA PHE 77 HA PHE 77 -0.741 -6.617 -4.474 591 1HB PHE 77 HB2 PHE 77 -0.683 -4.798 -2.863 592 2HB PHE 77 HB1 PHE 77 -2.042 -5.489 -1.985 593 HD1 PHE 77 HD1 PHE 77 1.530 -5.849 -2.764 594 HD2 PHE 77 HD2 PHE 77 -1.742 -7.305 -0.465 595 HE1 PHE 77 HE1 PHE 77 3.093 -7.113 -1.347 596 HE2 PHE 77 HE2 PHE 77 -0.185 -8.572 0.956 597 HZ PHE 77 HZ PHE 77 2.237 -8.477 0.516 598 H VAL 78 HN VAL 78 -3.789 -6.956 -2.659 599 HA VAL 78 HA VAL 78 -3.335 -9.614 -1.829 600 HB VAL 78 HB VAL 78 -6.021 -8.295 -2.240 601 1HG1 VAL 78 HG11 VAL 78 -6.951 -10.001 -1.102 602 2HG1 VAL 78 HG12 VAL 78 -5.567 -10.174 -0.022 603 3HG1 VAL 78 HG13 VAL 78 -5.519 -10.881 -1.637 604 1HG2 VAL 78 HG21 VAL 78 -4.033 -7.282 -0.680 605 2HG2 VAL 78 HG22 VAL 78 -4.874 -8.332 0.459 606 3HG2 VAL 78 HG23 VAL 78 -5.757 -7.058 -0.384 607 H GLU 79 HN GLU 79 -4.802 -8.225 -4.703 608 HA GLU 79 HA GLU 79 -5.943 -10.614 -5.705 609 1HB GLU 79 HB2 GLU 79 -6.673 -8.447 -6.518 610 2HB GLU 79 HB1 GLU 79 -5.065 -8.107 -7.143 611 1HG GLU 79 HG2 GLU 79 -5.287 -9.932 -8.740 612 2HG GLU 79 HG1 GLU 79 -6.889 -10.301 -8.102 613 H ALA 80 HN ALA 80 -2.714 -9.622 -5.424 614 HA ALA 80 HA ALA 80 -1.784 -11.164 -7.707 615 1HB ALA 80 HB1 ALA 80 -0.807 -8.932 -6.962 616 2HB ALA 80 HB2 ALA 80 0.331 -10.226 -7.332 617 3HB ALA 80 HB3 ALA 80 -0.045 -9.835 -5.654 618 H VAL 81 HN VAL 81 -1.032 -11.130 -4.209 619 HA VAL 81 HA VAL 81 0.413 -13.469 -4.063 620 HB VAL 81 HB VAL 81 -1.552 -12.554 -1.958 621 1HG1 VAL 81 HG11 VAL 81 -0.073 -14.839 -2.002 622 2HG1 VAL 81 HG12 VAL 81 -0.611 -14.015 -0.539 623 3HG1 VAL 81 HG13 VAL 81 1.013 -13.731 -1.165 624 1HG2 VAL 81 HG21 VAL 81 0.369 -10.965 -2.985 625 2HG2 VAL 81 HG22 VAL 81 1.291 -11.805 -1.739 626 3HG2 VAL 81 HG23 VAL 81 -0.160 -10.902 -1.304 627 H GLU 82 HN GLU 82 -3.052 -13.070 -4.234 628 HA GLU 82 HA GLU 82 -3.919 -15.588 -3.447 629 1HB GLU 82 HB2 GLU 82 -5.863 -15.093 -5.043 630 2HB GLU 82 HB1 GLU 82 -5.573 -13.961 -3.729 631 1HG GLU 82 HG2 GLU 82 -5.430 -12.314 -5.184 632 2HG GLU 82 HG1 GLU 82 -4.035 -13.090 -5.933 633 H GLN 83 HN GLN 83 -3.023 -14.484 -6.716 634 HA GLN 83 HA GLN 83 -3.216 -17.250 -7.664 635 1HB GLN 83 HB2 GLN 83 -4.057 -14.904 -8.803 636 2HB GLN 83 HB1 GLN 83 -2.515 -15.160 -9.607 637 1HG GLN 83 HG2 GLN 83 -3.649 -17.638 -9.753 638 2HG GLN 83 HG1 GLN 83 -5.049 -16.577 -9.902 639 1HE2 GLN 83 HE21 GLN 83 -4.538 -14.624 -11.408 640 2HE2 GLN 83 HE22 GLN 83 -3.830 -15.049 -12.925 641 H ASN 84 HN ASN 84 -0.985 -15.616 -6.136 642 HA ASN 84 HA ASN 84 1.238 -15.921 -5.875 643 1HB ASN 84 HB2 ASN 84 0.566 -18.189 -7.249 644 2HB ASN 84 HB1 ASN 84 1.734 -17.452 -8.342 645 1HD2 ASN 84 HD21 ASN 84 3.740 -18.050 -8.029 646 2HD2 ASN 84 HD22 ASN 84 4.433 -18.570 -6.533 647 H THR 85 HN THR 85 -0.182 -13.990 -7.707 648 HA THR 85 HA THR 85 1.809 -13.330 -9.681 649 HB THR 85 HB THR 85 -0.289 -11.354 -9.013 650 HG1 THR 85 HG1 THR 85 -1.944 -12.595 -9.430 651 1HG2 THR 85 HG21 THR 85 1.309 -11.886 -11.212 652 2HG2 THR 85 HG22 THR 85 -0.048 -10.762 -11.129 653 3HG2 THR 85 HG23 THR 85 -0.304 -12.414 -11.691 654 H LEU 86 HN LEU 86 1.185 -12.630 -6.403 655 HA LEU 86 HA LEU 86 1.883 -10.170 -5.747 656 1HB LEU 86 HB2 LEU 86 1.645 -11.933 -4.106 657 2HB LEU 86 HB1 LEU 86 3.160 -12.653 -4.613 658 HG LEU 86 HG LEU 86 4.280 -10.494 -3.886 659 1HD1 LEU 86 HD11 LEU 86 2.186 -9.894 -1.969 660 2HD1 LEU 86 HD12 LEU 86 1.678 -9.606 -3.633 661 3HD1 LEU 86 HD13 LEU 86 3.120 -8.813 -3.001 662 1HD2 LEU 86 HD21 LEU 86 4.778 -12.148 -2.419 663 2HD2 LEU 86 HD22 LEU 86 3.088 -12.582 -2.163 664 3HD2 LEU 86 HD23 LEU 86 3.767 -11.170 -1.354 665 H GLN 87 HN GLN 87 4.208 -12.486 -7.082 666 HA GLN 87 HA GLN 87 6.576 -11.135 -6.695 667 1HB GLN 87 HB2 GLN 87 6.808 -13.234 -7.691 668 2HB GLN 87 HB1 GLN 87 5.603 -12.890 -8.926 669 1HG GLN 87 HG2 GLN 87 7.100 -11.509 -10.135 670 2HG GLN 87 HG1 GLN 87 8.258 -11.488 -8.808 671 1HE2 GLN 87 HE21 GLN 87 8.997 -13.759 -8.152 672 2HE2 GLN 87 HE22 GLN 87 9.422 -14.816 -9.451 673 H GLU 88 HN GLU 88 4.448 -10.837 -9.537 674 HA GLU 88 HA GLU 88 5.722 -8.902 -10.959 675 1HB GLU 88 HB2 GLU 88 3.047 -9.918 -10.791 676 2HB GLU 88 HB1 GLU 88 2.985 -8.174 -11.010 677 1HG GLU 88 HG2 GLU 88 4.914 -9.454 -12.764 678 2HG GLU 88 HG1 GLU 88 3.273 -10.059 -12.990 679 H PHE 89 HN PHE 89 4.147 -8.520 -7.898 680 HA PHE 89 HA PHE 89 4.270 -5.613 -8.079 681 1HB PHE 89 HB2 PHE 89 2.289 -7.034 -7.118 682 2HB PHE 89 HB1 PHE 89 3.289 -7.107 -5.673 683 HD1 PHE 89 HD1 PHE 89 3.513 -5.240 -4.235 684 HD2 PHE 89 HD2 PHE 89 1.473 -4.859 -7.948 685 HE1 PHE 89 HE1 PHE 89 2.645 -3.050 -3.528 686 HE2 PHE 89 HE2 PHE 89 0.600 -2.668 -7.250 687 HZ PHE 89 HZ PHE 89 1.188 -1.758 -5.038 688 H LEU 90 HN LEU 90 5.818 -8.309 -6.510 689 HA LEU 90 HA LEU 90 7.349 -6.523 -4.779 690 1HB LEU 90 HB2 LEU 90 6.757 -9.420 -4.832 691 2HB LEU 90 HB1 LEU 90 8.339 -8.967 -4.227 692 HG LEU 90 HG LEU 90 6.606 -9.241 -2.456 693 1HD1 LEU 90 HD11 LEU 90 7.039 -6.749 -1.588 694 2HD1 LEU 90 HD12 LEU 90 8.233 -6.813 -2.884 695 3HD1 LEU 90 HD13 LEU 90 8.281 -8.001 -1.581 696 1HD2 LEU 90 HD21 LEU 90 4.857 -8.097 -4.038 697 2HD2 LEU 90 HD22 LEU 90 5.443 -6.620 -3.272 698 3HD2 LEU 90 HD23 LEU 90 4.745 -7.906 -2.288 699 H LYS 91 HN LYS 91 8.330 -9.415 -6.613 700 HA LYS 91 HA LYS 91 10.903 -8.207 -7.140 701 1HB LYS 91 HB2 LYS 91 10.001 -10.835 -8.272 702 2HB LYS 91 HB1 LYS 91 11.624 -10.318 -7.846 703 1HG LYS 91 HG2 LYS 91 11.038 -10.419 -5.477 704 2HG LYS 91 HG1 LYS 91 9.407 -10.941 -5.906 705 1HD LYS 91 HD2 LYS 91 10.917 -12.733 -7.281 706 2HD LYS 91 HD1 LYS 91 11.930 -12.449 -5.863 707 1HE LYS 91 HE2 LYS 91 10.298 -13.221 -4.392 708 2HE LYS 91 HE1 LYS 91 9.002 -13.005 -5.566 709 1HZ LYS 91 HZ1 LYS 91 11.074 -15.120 -5.515 710 2HZ LYS 91 HZ2 LYS 91 10.121 -14.818 -6.879 711 3HZ LYS 91 HZ3 LYS 91 9.393 -15.304 -5.432 712 H LEU 92 HN LEU 92 7.898 -8.343 -8.730 713 HA LEU 92 HA LEU 92 7.201 -7.685 -10.783 714 1HB LEU 92 HB2 LEU 92 9.898 -6.376 -10.668 715 2HB LEU 92 HB1 LEU 92 8.853 -6.200 -12.065 716 HG LEU 92 HG LEU 92 8.819 -4.370 -10.239 717 1HD1 LEU 92 HD11 LEU 92 7.259 -4.064 -11.886 718 2HD1 LEU 92 HD12 LEU 92 6.210 -4.321 -10.492 719 3HD1 LEU 92 HD13 LEU 92 6.511 -5.640 -11.624 720 1HD2 LEU 92 HD21 LEU 92 7.109 -6.497 -8.946 721 2HD2 LEU 92 HD22 LEU 92 7.137 -4.798 -8.469 722 3HD2 LEU 92 HD23 LEU 92 8.588 -5.786 -8.298 723 H ALA 93 HN ALA 93 10.615 -8.072 -11.628 724 HA ALA 93 HA ALA 93 9.906 -10.418 -13.249 725 1HB ALA 93 HB1 ALA 93 9.963 -8.942 -14.985 726 2HB ALA 93 HB2 ALA 93 11.676 -9.353 -14.905 727 3HB ALA 93 HB3 ALA 93 11.093 -7.858 -14.174 728 H LEU 94 HN LEU 94 12.750 -8.426 -12.411 729 HA LEU 94 HA LEU 94 14.815 -8.977 -11.632 730 1HB LEU 94 HB2 LEU 94 13.024 -10.992 -10.422 731 2HB LEU 94 HB1 LEU 94 14.729 -11.399 -10.429 732 HG LEU 94 HG LEU 94 13.476 -8.958 -9.174 733 1HD1 LEU 94 HD11 LEU 94 13.758 -9.954 -7.138 734 2HD1 LEU 94 HD12 LEU 94 15.075 -10.984 -7.699 735 3HD1 LEU 94 HD13 LEU 94 13.409 -11.372 -8.127 736 1HD2 LEU 94 HD21 LEU 94 16.298 -9.674 -9.780 737 2HD2 LEU 94 HD22 LEU 94 15.946 -8.862 -8.255 738 3HD2 LEU 94 HD23 LEU 94 15.504 -8.099 -9.783 739 H GLU 95 HN GLU 95 15.564 -9.172 -13.810 740 HA GLU 95 HA GLU 95 15.798 -11.900 -14.849 741 1HB GLU 95 HB2 GLU 95 15.755 -9.210 -16.035 742 2HB GLU 95 HB1 GLU 95 16.953 -10.288 -16.738 743 1HG GLU 95 HG2 GLU 95 14.334 -11.523 -16.389 744 2HG GLU 95 HG1 GLU 95 14.326 -10.127 -17.465 Start of MODEL 17 1 1H MET 1 HT1 MET 1 18.362 5.309 -4.448 2 2H MET 1 HT2 MET 1 17.146 4.675 -5.479 3 3H MET 1 HT3 MET 1 18.338 3.635 -4.813 4 HA MET 1 HA MET 1 17.497 3.853 -2.681 5 1HB MET 1 HB2 MET 1 15.486 5.378 -2.337 6 2HB MET 1 HB1 MET 1 17.037 6.173 -2.573 7 1HG MET 1 HG2 MET 1 15.469 5.707 -5.015 8 2HG MET 1 HG1 MET 1 14.773 6.846 -3.864 9 1HE MET 1 HE1 MET 1 15.989 8.490 -6.866 10 2HE MET 1 HE2 MET 1 15.778 9.662 -5.566 11 3HE MET 1 HE3 MET 1 14.692 8.278 -5.690 12 H SER 2 HN SER 2 17.017 1.715 -3.390 13 HA SER 2 HA SER 2 14.481 1.250 -4.730 14 1HB SER 2 HB2 SER 2 16.838 -0.071 -4.876 15 2HB SER 2 HB1 SER 2 16.014 -1.048 -3.662 16 HG SER 2 HG SER 2 14.205 -1.032 -5.243 17 H GLY 3 HN GLY 3 12.678 1.275 -3.563 18 1HA GLY 3 HA2 GLY 3 12.462 -0.388 -1.210 19 2HA GLY 3 HA1 GLY 3 12.327 1.333 -0.880 20 H LEU 4 HN LEU 4 10.197 0.126 -0.127 21 HA LEU 4 HA LEU 4 8.247 0.470 -2.310 22 1HB LEU 4 HB2 LEU 4 8.602 -1.719 -0.380 23 2HB LEU 4 HB1 LEU 4 6.952 -1.145 -0.526 24 HG LEU 4 HG LEU 4 7.440 -3.064 -2.003 25 1HD1 LEU 4 HD11 LEU 4 5.647 -1.702 -2.692 26 2HD1 LEU 4 HD12 LEU 4 6.635 -1.950 -4.132 27 3HD1 LEU 4 HD13 LEU 4 6.727 -0.425 -3.251 28 1HD2 LEU 4 HD21 LEU 4 8.924 -2.882 -3.853 29 2HD2 LEU 4 HD22 LEU 4 9.825 -2.405 -2.414 30 3HD2 LEU 4 HD23 LEU 4 9.223 -1.175 -3.525 31 H ARG 5 HN ARG 5 7.060 2.223 -1.986 32 HA ARG 5 HA ARG 5 6.725 3.263 0.715 33 1HB ARG 5 HB2 ARG 5 5.636 4.637 -1.708 34 2HB ARG 5 HB1 ARG 5 6.284 5.331 -0.229 35 1HG ARG 5 HG2 ARG 5 7.982 3.917 -2.267 36 2HG ARG 5 HG1 ARG 5 7.685 5.656 -2.276 37 1HD ARG 5 HD2 ARG 5 9.065 6.030 -0.539 38 2HD ARG 5 HD1 ARG 5 8.559 4.567 0.306 39 HE ARG 5 HE ARG 5 10.037 3.607 -1.740 40 1HH1 ARG 5 HH11 ARG 5 10.639 6.036 0.693 41 2HH1 ARG 5 HH12 ARG 5 12.346 5.753 0.732 42 1HH2 ARG 5 HH21 ARG 5 12.283 3.233 -1.690 43 2HH2 ARG 5 HH22 ARG 5 13.281 4.162 -0.621 44 H VAL 6 HN VAL 6 5.247 1.621 1.421 45 HA VAL 6 HA VAL 6 2.674 1.384 0.127 46 HB VAL 6 HB VAL 6 3.474 0.317 2.836 47 1HG1 VAL 6 HG11 VAL 6 1.137 0.003 1.058 48 2HG1 VAL 6 HG12 VAL 6 1.247 -0.073 2.817 49 3HG1 VAL 6 HG13 VAL 6 1.730 -1.461 1.842 50 1HG2 VAL 6 HG21 VAL 6 5.083 -0.575 1.360 51 2HG2 VAL 6 HG22 VAL 6 3.889 -0.829 0.087 52 3HG2 VAL 6 HG23 VAL 6 3.858 -1.832 1.537 53 H TYR 7 HN TYR 7 1.132 2.864 0.383 54 HA TYR 7 HA TYR 7 1.230 4.762 2.545 55 1HB TYR 7 HB2 TYR 7 -0.564 4.356 0.168 56 2HB TYR 7 HB1 TYR 7 -1.016 5.483 1.443 57 HD1 TYR 7 HD1 TYR 7 -0.458 7.687 1.101 58 HD2 TYR 7 HD2 TYR 7 2.003 4.672 -0.616 59 HE1 TYR 7 HE1 TYR 7 0.938 9.426 0.065 60 HE2 TYR 7 HE2 TYR 7 3.407 6.403 -1.656 61 HH TYR 7 HH TYR 7 2.986 8.916 -2.396 62 H SER 8 HN SER 8 -0.410 5.134 4.084 63 HA SER 8 HA SER 8 -2.538 3.242 4.466 64 1HB SER 8 HB2 SER 8 -0.189 2.361 5.462 65 2HB SER 8 HB1 SER 8 -0.751 3.318 6.832 66 HG SER 8 HG SER 8 -1.434 0.918 6.393 67 H THR 9 HN THR 9 -3.447 3.676 6.859 68 HA THR 9 HA THR 9 -3.409 6.593 7.271 69 HB THR 9 HB THR 9 -5.492 6.174 6.237 70 HG1 THR 9 HG1 THR 9 -6.242 7.359 7.794 71 1HG2 THR 9 HG21 THR 9 -5.476 3.668 7.794 72 2HG2 THR 9 HG22 THR 9 -6.038 3.988 6.154 73 3HG2 THR 9 HG23 THR 9 -7.038 4.442 7.534 74 H SER 10 HN SER 10 -2.552 7.033 9.182 75 HA SER 10 HA SER 10 -2.210 5.146 11.248 76 1HB SER 10 HB2 SER 10 -0.984 7.430 10.739 77 2HB SER 10 HB1 SER 10 -2.197 8.078 11.843 78 HG SER 10 HG SER 10 0.044 6.820 12.453 79 H VAL 11 HN VAL 11 -4.471 7.865 10.901 80 HA VAL 11 HA VAL 11 -5.918 6.978 13.278 81 HB VAL 11 HB VAL 11 -5.446 9.380 13.048 82 1HG1 VAL 11 HG11 VAL 11 -7.457 9.846 10.971 83 2HG1 VAL 11 HG12 VAL 11 -5.991 9.051 10.400 84 3HG1 VAL 11 HG13 VAL 11 -5.886 10.606 11.224 85 1HG2 VAL 11 HG21 VAL 11 -7.249 9.342 14.385 86 2HG2 VAL 11 HG22 VAL 11 -8.137 8.248 13.325 87 3HG2 VAL 11 HG23 VAL 11 -8.102 9.977 12.978 88 H THR 12 HN THR 12 -7.367 5.420 12.964 89 HA THR 12 HA THR 12 -8.737 5.168 10.411 90 HB THR 12 HB THR 12 -9.484 3.032 11.189 91 HG1 THR 12 HG1 THR 12 -8.683 3.969 13.730 92 1HG2 THR 12 HG21 THR 12 -7.530 1.943 11.200 93 2HG2 THR 12 HG22 THR 12 -6.887 2.893 12.541 94 3HG2 THR 12 HG23 THR 12 -6.854 3.545 10.902 95 H GLY 13 HN GLY 13 -11.067 4.914 10.294 96 1HA GLY 13 HA2 GLY 13 -12.537 6.194 12.497 97 2HA GLY 13 HA1 GLY 13 -12.692 6.836 10.869 98 H SER 14 HN SER 14 -12.802 4.501 9.387 99 HA SER 14 HA SER 14 -15.501 3.647 9.986 100 1HB SER 14 HB2 SER 14 -14.160 4.103 7.639 101 2HB SER 14 HB1 SER 14 -14.125 2.343 7.736 102 HG SER 14 HG SER 14 -16.245 2.271 7.520 103 H ARG 15 HN ARG 15 -15.572 1.087 8.990 104 HA ARG 15 HA ARG 15 -14.037 -0.388 10.998 105 1HB ARG 15 HB2 ARG 15 -16.561 -0.357 11.186 106 2HB ARG 15 HB1 ARG 15 -16.584 -1.296 9.699 107 1HG ARG 15 HG2 ARG 15 -15.031 -2.918 10.986 108 2HG ARG 15 HG1 ARG 15 -15.641 -2.091 12.420 109 1HD ARG 15 HD2 ARG 15 -17.967 -2.561 11.519 110 2HD ARG 15 HD1 ARG 15 -17.192 -3.646 10.367 111 HE ARG 15 HE ARG 15 -16.293 -4.344 12.905 112 1HH1 ARG 15 HH11 ARG 15 -19.294 -4.306 11.124 113 2HH1 ARG 15 HH12 ARG 15 -19.971 -5.642 11.992 114 1HH2 ARG 15 HH21 ARG 15 -17.181 -6.102 14.048 115 2HH2 ARG 15 HH22 ARG 15 -18.772 -6.662 13.652 116 H GLU 16 HN GLU 16 -14.450 0.078 7.774 117 HA GLU 16 HA GLU 16 -13.336 -2.520 7.011 118 1HB GLU 16 HB2 GLU 16 -14.435 -0.307 5.265 119 2HB GLU 16 HB1 GLU 16 -13.889 -1.882 4.703 120 1HG GLU 16 HG2 GLU 16 -16.119 -2.272 4.795 121 2HG GLU 16 HG1 GLU 16 -15.683 -2.733 6.440 122 H ILE 17 HN ILE 17 -12.636 0.892 7.106 123 HA ILE 17 HA ILE 17 -10.419 1.021 5.424 124 HB ILE 17 HB ILE 17 -10.891 2.578 7.972 125 1HG1 ILE 17 HG12 ILE 17 -12.753 2.721 6.345 126 2HG1 ILE 17 HG11 ILE 17 -11.923 4.260 6.550 127 1HG2 ILE 17 HG21 ILE 17 -8.731 3.142 7.516 128 2HG2 ILE 17 HG22 ILE 17 -9.546 4.289 6.451 129 3HG2 ILE 17 HG23 ILE 17 -8.886 2.791 5.794 130 1HD1 ILE 17 HD11 ILE 17 -11.578 2.338 4.261 131 2HD1 ILE 17 HD12 ILE 17 -10.690 3.848 4.470 132 3HD1 ILE 17 HD13 ILE 17 -12.437 3.878 4.225 133 H LYS 18 HN LYS 18 -10.736 -0.198 8.682 134 HA LYS 18 HA LYS 18 -7.910 -0.310 9.188 135 1HB LYS 18 HB2 LYS 18 -10.092 -1.800 10.647 136 2HB LYS 18 HB1 LYS 18 -8.487 -1.401 11.244 137 1HG LYS 18 HG2 LYS 18 -9.044 0.750 11.719 138 2HG LYS 18 HG1 LYS 18 -10.239 0.844 10.423 139 1HD LYS 18 HD2 LYS 18 -11.643 0.789 12.223 140 2HD LYS 18 HD1 LYS 18 -11.478 -0.944 11.934 141 1HE LYS 18 HE2 LYS 18 -9.665 -1.012 13.614 142 2HE LYS 18 HE1 LYS 18 -9.936 0.700 13.939 143 1HZ LYS 18 HZ1 LYS 18 -11.896 0.285 14.998 144 2HZ LYS 18 HZ2 LYS 18 -11.070 -1.140 15.383 145 3HZ LYS 18 HZ3 LYS 18 -12.212 -1.136 14.136 146 H SER 19 HN SER 19 -10.339 -2.450 7.882 147 HA SER 19 HA SER 19 -8.881 -4.865 8.107 148 1HB SER 19 HB2 SER 19 -11.415 -4.402 7.526 149 2HB SER 19 HB1 SER 19 -10.817 -4.437 5.867 150 HG SER 19 HG SER 19 -11.003 -6.518 6.089 151 H GLN 20 HN GLN 20 -8.859 -2.261 5.787 152 HA GLN 20 HA GLN 20 -7.538 -3.631 3.690 153 1HB GLN 20 HB2 GLN 20 -7.344 -0.673 4.235 154 2HB GLN 20 HB1 GLN 20 -7.221 -1.497 2.687 155 1HG GLN 20 HG2 GLN 20 -9.683 -1.130 4.372 156 2HG GLN 20 HG1 GLN 20 -9.338 -0.414 2.798 157 1HE2 GLN 20 HE21 GLN 20 -11.654 -1.852 3.336 158 2HE2 GLN 20 HE22 GLN 20 -11.637 -3.307 2.405 159 H GLN 21 HN GLN 21 -6.205 -1.098 5.822 160 HA GLN 21 HA GLN 21 -3.526 -1.592 5.211 161 1HB GLN 21 HB2 GLN 21 -3.084 -0.425 7.429 162 2HB GLN 21 HB1 GLN 21 -4.032 0.467 6.247 163 1HG GLN 21 HG2 GLN 21 -6.032 0.112 7.424 164 2HG GLN 21 HG1 GLN 21 -5.312 -1.146 8.427 165 1HE2 GLN 21 HE21 GLN 21 -6.512 1.771 8.666 166 2HE2 GLN 21 HE22 GLN 21 -5.486 2.474 9.866 167 H SER 22 HN SER 22 -5.612 -2.973 7.693 168 HA SER 22 HA SER 22 -3.626 -4.325 9.155 169 1HB SER 22 HB2 SER 22 -5.920 -3.973 9.993 170 2HB SER 22 HB1 SER 22 -6.532 -5.089 8.773 171 HG SER 22 HG SER 22 -4.657 -5.749 10.801 172 H GLU 23 HN GLU 23 -5.554 -5.288 6.353 173 HA GLU 23 HA GLU 23 -4.689 -7.974 6.263 174 1HB GLU 23 HB2 GLU 23 -6.685 -7.179 5.077 175 2HB GLU 23 HB1 GLU 23 -5.675 -6.199 4.022 176 1HG GLU 23 HG2 GLU 23 -6.354 -8.215 2.890 177 2HG GLU 23 HG1 GLU 23 -4.613 -8.231 3.163 178 H VAL 24 HN VAL 24 -3.597 -5.100 4.465 179 HA VAL 24 HA VAL 24 -1.593 -6.324 2.966 180 HB VAL 24 HB VAL 24 -1.464 -3.512 4.055 181 1HG1 VAL 24 HG11 VAL 24 -0.543 -4.154 1.334 182 2HG1 VAL 24 HG12 VAL 24 0.417 -4.839 2.646 183 3HG1 VAL 24 HG13 VAL 24 0.165 -3.096 2.555 184 1HG2 VAL 24 HG21 VAL 24 -2.493 -3.222 1.578 185 2HG2 VAL 24 HG22 VAL 24 -3.470 -3.293 3.045 186 3HG2 VAL 24 HG23 VAL 24 -3.251 -4.740 2.060 187 H THR 25 HN THR 25 -1.207 -4.505 6.014 188 HA THR 25 HA THR 25 1.505 -5.078 6.380 189 HB THR 25 HB THR 25 1.220 -4.319 8.642 190 HG1 THR 25 HG1 THR 25 -1.577 -4.587 8.283 191 1HG2 THR 25 HG21 THR 25 0.099 -2.868 6.465 192 2HG2 THR 25 HG22 THR 25 0.902 -2.262 7.914 193 3HG2 THR 25 HG23 THR 25 -0.839 -2.546 7.923 194 H ARG 26 HN ARG 26 -1.348 -6.954 7.072 195 HA ARG 26 HA ARG 26 -0.096 -8.814 8.835 196 1HB ARG 26 HB2 ARG 26 -2.700 -8.656 7.391 197 2HB ARG 26 HB1 ARG 26 -2.187 -10.222 8.005 198 1HG ARG 26 HG2 ARG 26 -2.175 -9.455 10.235 199 2HG ARG 26 HG1 ARG 26 -2.304 -7.768 9.732 200 1HD ARG 26 HD2 ARG 26 -4.432 -8.661 10.590 201 2HD ARG 26 HD1 ARG 26 -4.544 -8.147 8.907 202 HE ARG 26 HE ARG 26 -4.958 -10.318 8.301 203 1HH1 ARG 26 HH11 ARG 26 -3.760 -10.261 11.578 204 2HH1 ARG 26 HH12 ARG 26 -4.096 -11.935 11.864 205 1HH2 ARG 26 HH21 ARG 26 -5.403 -12.521 8.675 206 2HH2 ARG 26 HH22 ARG 26 -5.028 -13.219 10.216 207 H ILE 27 HN ILE 27 -0.421 -8.544 5.376 208 HA ILE 27 HA ILE 27 0.504 -11.265 4.930 209 HB ILE 27 HB ILE 27 -0.011 -9.104 2.885 210 1HG1 ILE 27 HG12 ILE 27 -1.911 -11.354 3.311 211 2HG1 ILE 27 HG11 ILE 27 -1.929 -10.052 4.495 212 1HG2 ILE 27 HG21 ILE 27 1.413 -10.895 2.072 213 2HG2 ILE 27 HG22 ILE 27 -0.178 -10.984 1.317 214 3HG2 ILE 27 HG23 ILE 27 0.243 -12.097 2.618 215 1HD1 ILE 27 HD11 ILE 27 -2.179 -9.583 1.540 216 2HD1 ILE 27 HD12 ILE 27 -2.500 -8.451 2.854 217 3HD1 ILE 27 HD13 ILE 27 -3.561 -9.838 2.606 218 H LEU 28 HN LEU 28 1.749 -8.009 4.937 219 HA LEU 28 HA LEU 28 4.182 -8.670 3.550 220 1HB LEU 28 HB2 LEU 28 3.330 -6.241 5.118 221 2HB LEU 28 HB1 LEU 28 4.884 -6.380 4.319 222 HG LEU 28 HG LEU 28 2.238 -6.557 2.880 223 1HD1 LEU 28 HD11 LEU 28 2.332 -4.314 2.380 224 2HD1 LEU 28 HD12 LEU 28 4.059 -4.200 2.716 225 3HD1 LEU 28 HD13 LEU 28 2.909 -4.324 4.047 226 1HD2 LEU 28 HD21 LEU 28 5.106 -6.434 1.991 227 2HD2 LEU 28 HD22 LEU 28 3.766 -6.020 0.922 228 3HD2 LEU 28 HD23 LEU 28 3.884 -7.644 1.598 229 H ASP 29 HN ASP 29 3.241 -8.074 6.913 230 HA ASP 29 HA ASP 29 5.813 -8.310 8.033 231 1HB ASP 29 HB2 ASP 29 3.509 -7.502 9.052 232 2HB ASP 29 HB1 ASP 29 3.404 -9.181 9.574 233 H GLY 30 HN GLY 30 3.297 -10.685 7.335 234 1HA GLY 30 HA2 GLY 30 4.376 -12.888 8.668 235 2HA GLY 30 HA1 GLY 30 3.362 -12.977 7.236 236 H LYS 31 HN LYS 31 5.427 -11.321 5.766 237 HA LYS 31 HA LYS 31 7.154 -13.583 5.080 238 1HB LYS 31 HB2 LYS 31 7.489 -11.331 3.316 239 2HB LYS 31 HB1 LYS 31 6.922 -12.952 2.950 240 1HG LYS 31 HG2 LYS 31 4.676 -12.031 3.979 241 2HG LYS 31 HG1 LYS 31 5.377 -10.480 3.515 242 1HD LYS 31 HD2 LYS 31 4.875 -12.844 1.708 243 2HD LYS 31 HD1 LYS 31 3.974 -11.328 1.731 244 1HE LYS 31 HE2 LYS 31 5.520 -10.256 0.511 245 2HE LYS 31 HE1 LYS 31 6.860 -10.987 1.393 246 1HZ LYS 31 HZ1 LYS 31 6.341 -11.547 -1.128 247 2HZ LYS 31 HZ2 LYS 31 5.364 -12.724 -0.407 248 3HZ LYS 31 HZ3 LYS 31 7.021 -12.682 -0.073 249 H ARG 32 HN ARG 32 7.307 -10.990 7.072 250 HA ARG 32 HA ARG 32 8.996 -9.883 8.111 251 1HB ARG 32 HB2 ARG 32 10.869 -11.831 6.767 252 2HB ARG 32 HB1 ARG 32 11.146 -10.932 8.252 253 1HG ARG 32 HG2 ARG 32 9.811 -12.314 9.503 254 2HG ARG 32 HG1 ARG 32 8.845 -12.817 8.114 255 1HD ARG 32 HD2 ARG 32 10.064 -14.706 8.286 256 2HD ARG 32 HD1 ARG 32 11.258 -13.770 7.386 257 HE ARG 32 HE ARG 32 12.595 -13.797 9.233 258 1HH1 ARG 32 HH11 ARG 32 9.332 -14.535 10.226 259 2HH1 ARG 32 HH12 ARG 32 9.777 -14.892 11.861 260 1HH2 ARG 32 HH21 ARG 32 13.183 -14.266 11.383 261 2HH2 ARG 32 HH22 ARG 32 11.963 -14.739 12.518 262 H ILE 33 HN ILE 33 8.111 -8.722 5.803 263 HA ILE 33 HA ILE 33 10.395 -8.004 4.171 264 HB ILE 33 HB ILE 33 7.602 -6.872 4.033 265 1HG1 ILE 33 HG12 ILE 33 8.786 -9.242 2.572 266 2HG1 ILE 33 HG11 ILE 33 7.516 -9.306 3.791 267 1HG2 ILE 33 HG21 ILE 33 9.115 -5.491 2.846 268 2HG2 ILE 33 HG22 ILE 33 8.299 -6.484 1.639 269 3HG2 ILE 33 HG23 ILE 33 9.942 -6.881 2.142 270 1HD1 ILE 33 HD11 ILE 33 5.967 -8.975 2.251 271 2HD1 ILE 33 HD12 ILE 33 7.229 -9.061 1.022 272 3HD1 ILE 33 HD13 ILE 33 6.766 -7.501 1.702 273 H GLN 34 HN GLN 34 10.918 -5.757 3.775 274 HA GLN 34 HA GLN 34 10.660 -4.129 6.216 275 1HB GLN 34 HB2 GLN 34 12.827 -3.819 4.146 276 2HB GLN 34 HB1 GLN 34 12.803 -3.211 5.796 277 1HG GLN 34 HG2 GLN 34 14.067 -4.972 6.282 278 2HG GLN 34 HG1 GLN 34 12.577 -5.909 6.169 279 1HE2 GLN 34 HE21 GLN 34 12.200 -7.170 4.360 280 2HE2 GLN 34 HE22 GLN 34 13.444 -7.561 3.226 281 H TYR 35 HN TYR 35 8.671 -4.129 4.204 282 HA TYR 35 HA TYR 35 8.945 -2.052 2.335 283 1HB TYR 35 HB2 TYR 35 6.565 -2.186 2.054 284 2HB TYR 35 HB1 TYR 35 7.163 -3.819 2.322 285 HD1 TYR 35 HD1 TYR 35 4.929 -1.249 3.462 286 HD2 TYR 35 HD2 TYR 35 6.889 -4.841 4.627 287 HE1 TYR 35 HE1 TYR 35 3.325 -1.519 5.305 288 HE2 TYR 35 HE2 TYR 35 5.289 -5.122 6.472 289 HH TYR 35 HH TYR 35 2.423 -3.331 6.711 290 H GLN 36 HN GLN 36 8.178 0.088 2.348 291 HA GLN 36 HA GLN 36 8.481 1.423 4.878 292 1HB GLN 36 HB2 GLN 36 9.205 2.168 2.447 293 2HB GLN 36 HB1 GLN 36 7.580 2.834 2.403 294 1HG GLN 36 HG2 GLN 36 8.883 3.551 4.857 295 2HG GLN 36 HG1 GLN 36 9.878 4.000 3.473 296 1HE2 GLN 36 HE21 GLN 36 9.132 5.535 2.028 297 2HE2 GLN 36 HE22 GLN 36 7.790 6.566 2.379 298 H LEU 37 HN LEU 37 6.849 3.361 5.202 299 HA LEU 37 HA LEU 37 4.110 2.475 4.718 300 1HB LEU 37 HB2 LEU 37 5.191 1.860 7.046 301 2HB LEU 37 HB1 LEU 37 4.787 3.522 7.418 302 HG LEU 37 HG LEU 37 2.416 2.758 6.471 303 1HD1 LEU 37 HD11 LEU 37 3.706 0.223 7.457 304 2HD1 LEU 37 HD12 LEU 37 2.990 0.525 5.873 305 3HD1 LEU 37 HD13 LEU 37 1.963 0.445 7.304 306 1HD2 LEU 37 HD21 LEU 37 3.218 3.574 8.810 307 2HD2 LEU 37 HD22 LEU 37 3.100 1.868 9.240 308 3HD2 LEU 37 HD23 LEU 37 1.677 2.731 8.657 309 H VAL 38 HN VAL 38 3.838 4.138 3.300 310 HA VAL 38 HA VAL 38 4.486 6.851 4.021 311 HB VAL 38 HB VAL 38 2.619 6.467 1.769 312 1HG1 VAL 38 HG11 VAL 38 4.899 8.143 2.528 313 2HG1 VAL 38 HG12 VAL 38 3.461 8.537 1.586 314 3HG1 VAL 38 HG13 VAL 38 4.827 7.729 0.815 315 1HG2 VAL 38 HG21 VAL 38 4.478 5.641 0.287 316 2HG2 VAL 38 HG22 VAL 38 3.801 4.447 1.390 317 3HG2 VAL 38 HG23 VAL 38 5.352 5.203 1.756 318 H ASP 39 HN ASP 39 3.276 6.904 5.982 319 HA ASP 39 HA ASP 39 0.403 6.752 5.900 320 1HB ASP 39 HB2 ASP 39 2.093 7.923 8.111 321 2HB ASP 39 HB1 ASP 39 0.463 7.268 8.235 322 H ILE 40 HN ILE 40 -0.608 8.268 4.742 323 HA ILE 40 HA ILE 40 0.304 10.935 4.434 324 HB ILE 40 HB ILE 40 -1.965 11.351 3.458 325 1HG1 ILE 40 HG12 ILE 40 -2.395 8.387 3.833 326 2HG1 ILE 40 HG11 ILE 40 -3.065 9.587 4.934 327 1HG2 ILE 40 HG21 ILE 40 -1.519 9.231 1.773 328 2HG2 ILE 40 HG22 ILE 40 0.054 9.463 2.534 329 3HG2 ILE 40 HG23 ILE 40 -0.721 10.800 1.687 330 1HD1 ILE 40 HD11 ILE 40 -4.840 9.476 3.579 331 2HD1 ILE 40 HD12 ILE 40 -3.903 8.820 2.236 332 3HD1 ILE 40 HD13 ILE 40 -3.897 10.556 2.550 333 H SER 41 HN SER 41 -1.477 9.371 6.903 334 HA SER 41 HA SER 41 -3.088 11.464 7.839 335 1HB SER 41 HB2 SER 41 -3.532 9.328 8.737 336 2HB SER 41 HB1 SER 41 -1.847 9.073 9.189 337 HG SER 41 HG SER 41 -3.430 11.124 10.324 338 H GLN 42 HN GLN 42 0.321 10.913 8.073 339 HA GLN 42 HA GLN 42 0.970 12.414 10.330 340 1HB GLN 42 HB2 GLN 42 2.542 10.970 9.049 341 2HB GLN 42 HB1 GLN 42 2.574 12.184 7.779 342 1HG GLN 42 HG2 GLN 42 3.287 13.769 9.738 343 2HG GLN 42 HG1 GLN 42 3.768 12.254 10.503 344 1HE2 GLN 42 HE21 GLN 42 5.412 11.016 9.563 345 2HE2 GLN 42 HE22 GLN 42 6.526 11.696 8.432 346 H ASP 43 HN ASP 43 1.318 13.521 6.962 347 HA ASP 43 HA ASP 43 0.672 16.242 7.894 348 1HB ASP 43 HB2 ASP 43 3.015 15.379 6.684 349 2HB ASP 43 HB1 ASP 43 2.116 16.114 5.361 350 H ASN 44 HN ASN 44 -0.740 17.478 6.701 351 HA ASN 44 HA ASN 44 -2.727 16.129 5.232 352 1HB ASN 44 HB2 ASN 44 -2.597 18.533 6.479 353 2HB ASN 44 HB1 ASN 44 -2.474 19.042 4.797 354 1HD2 ASN 44 HD21 ASN 44 -4.248 19.029 3.544 355 2HD2 ASN 44 HD22 ASN 44 -5.812 18.515 4.067 356 H ALA 45 HN ALA 45 0.252 17.612 4.281 357 HA ALA 45 HA ALA 45 -0.315 18.138 1.577 358 1HB ALA 45 HB1 ALA 45 1.636 19.138 2.242 359 2HB ALA 45 HB2 ALA 45 2.276 17.724 1.404 360 3HB ALA 45 HB3 ALA 45 2.171 17.733 3.164 361 H LEU 46 HN LEU 46 0.617 15.206 3.256 362 HA LEU 46 HA LEU 46 1.284 13.683 0.965 363 1HB LEU 46 HB2 LEU 46 0.382 12.889 3.729 364 2HB LEU 46 HB1 LEU 46 0.833 11.721 2.502 365 HG LEU 46 HG LEU 46 3.024 13.327 2.491 366 1HD1 LEU 46 HD11 LEU 46 1.707 14.296 4.655 367 2HD1 LEU 46 HD12 LEU 46 3.457 14.343 4.443 368 3HD1 LEU 46 HD13 LEU 46 2.719 13.055 5.395 369 1HD2 LEU 46 HD21 LEU 46 3.013 11.215 4.557 370 2HD2 LEU 46 HD22 LEU 46 4.104 11.468 3.195 371 3HD2 LEU 46 HD23 LEU 46 2.523 10.733 2.933 372 H ARG 47 HN ARG 47 -1.726 14.441 2.563 373 HA ARG 47 HA ARG 47 -3.304 12.444 1.299 374 1HB ARG 47 HB2 ARG 47 -3.776 14.817 2.982 375 2HB ARG 47 HB1 ARG 47 -5.089 14.422 1.882 376 1HG ARG 47 HG2 ARG 47 -5.365 12.274 2.836 377 2HG ARG 47 HG1 ARG 47 -3.857 12.410 3.744 378 1HD ARG 47 HD2 ARG 47 -4.782 14.108 5.153 379 2HD ARG 47 HD1 ARG 47 -6.230 14.222 4.152 380 HE ARG 47 HE ARG 47 -6.113 11.608 5.015 381 1HH1 ARG 47 HH11 ARG 47 -6.312 14.758 6.506 382 2HH1 ARG 47 HH12 ARG 47 -7.179 14.185 7.891 383 1HH2 ARG 47 HH21 ARG 47 -7.254 10.854 6.836 384 2HH2 ARG 47 HH22 ARG 47 -7.714 11.969 8.079 385 H ASP 48 HN ASP 48 -2.698 15.875 0.596 386 HA ASP 48 HA ASP 48 -4.253 15.733 -1.825 387 1HB ASP 48 HB2 ASP 48 -3.708 17.786 -0.137 388 2HB ASP 48 HB1 ASP 48 -2.530 18.086 -1.410 389 H GLU 49 HN GLU 49 -1.351 14.637 -1.078 390 HA GLU 49 HA GLU 49 -0.070 15.346 -3.616 391 1HB GLU 49 HB2 GLU 49 1.309 15.632 -1.618 392 2HB GLU 49 HB1 GLU 49 1.045 13.951 -1.174 393 1HG GLU 49 HG2 GLU 49 2.606 13.200 -2.589 394 2HG GLU 49 HG1 GLU 49 2.153 14.338 -3.856 395 H MET 50 HN MET 50 -1.493 12.716 -1.850 396 HA MET 50 HA MET 50 -0.578 10.705 -3.730 397 1HB MET 50 HB2 MET 50 -0.983 10.431 -1.169 398 2HB MET 50 HB1 MET 50 -2.670 10.243 -1.628 399 1HG MET 50 HG2 MET 50 -0.616 8.595 -3.009 400 2HG MET 50 HG1 MET 50 -1.089 8.172 -1.365 401 1HE MET 50 HE1 MET 50 -4.126 8.833 -1.152 402 2HE MET 50 HE2 MET 50 -3.395 7.309 -0.649 403 3HE MET 50 HE3 MET 50 -4.831 7.303 -1.672 404 H ARG 51 HN ARG 51 -3.466 12.553 -3.016 405 HA ARG 51 HA ARG 51 -5.328 11.087 -4.505 406 1HB ARG 51 HB2 ARG 51 -5.149 13.813 -3.398 407 2HB ARG 51 HB1 ARG 51 -6.232 13.643 -4.773 408 1HG ARG 51 HG2 ARG 51 -7.432 13.371 -2.685 409 2HG ARG 51 HG1 ARG 51 -7.438 11.868 -3.608 410 1HD ARG 51 HD2 ARG 51 -5.269 11.408 -2.155 411 2HD ARG 51 HD1 ARG 51 -6.067 12.534 -1.058 412 HE ARG 51 HE ARG 51 -7.774 10.418 -1.995 413 1HH1 ARG 51 HH11 ARG 51 -5.435 11.353 0.421 414 2HH1 ARG 51 HH12 ARG 51 -5.993 10.201 1.586 415 1HH2 ARG 51 HH21 ARG 51 -8.510 8.903 -0.463 416 2HH2 ARG 51 HH22 ARG 51 -7.739 8.809 1.085 417 H ALA 52 HN ALA 52 -2.870 13.357 -5.488 418 HA ALA 52 HA ALA 52 -3.918 13.512 -8.202 419 1HB ALA 52 HB1 ALA 52 -3.102 15.578 -7.773 420 2HB ALA 52 HB2 ALA 52 -1.607 14.853 -8.366 421 3HB ALA 52 HB3 ALA 52 -1.896 14.986 -6.631 422 H LEU 53 HN LEU 53 -0.879 12.523 -6.619 423 HA LEU 53 HA LEU 53 0.382 11.478 -8.874 424 1HB LEU 53 HB2 LEU 53 0.618 10.663 -5.979 425 2HB LEU 53 HB1 LEU 53 1.703 10.119 -7.243 426 HG LEU 53 HG LEU 53 1.321 13.044 -6.675 427 1HD1 LEU 53 HD11 LEU 53 2.003 11.706 -4.615 428 2HD1 LEU 53 HD12 LEU 53 3.049 13.043 -5.094 429 3HD1 LEU 53 HD13 LEU 53 3.511 11.383 -5.471 430 1HD2 LEU 53 HD21 LEU 53 3.884 11.891 -7.570 431 2HD2 LEU 53 HD22 LEU 53 3.069 13.374 -8.065 432 3HD2 LEU 53 HD23 LEU 53 2.554 11.822 -8.726 433 H ALA 54 HN ALA 54 -2.129 10.143 -6.875 434 HA ALA 54 HA ALA 54 -1.809 7.455 -7.887 435 1HB ALA 54 HB1 ALA 54 -2.648 8.091 -5.567 436 2HB ALA 54 HB2 ALA 54 -3.535 6.835 -6.430 437 3HB ALA 54 HB3 ALA 54 -4.179 8.475 -6.354 438 H GLY 55 HN GLY 55 -3.204 10.274 -9.081 439 1HA GLY 55 HA2 GLY 55 -4.598 10.692 -10.857 440 2HA GLY 55 HA1 GLY 55 -4.237 9.053 -11.380 441 H ASN 56 HN ASN 56 -5.922 10.254 -8.495 442 HA ASN 56 HA ASN 56 -8.536 9.819 -9.269 443 1HB ASN 56 HB2 ASN 56 -8.839 7.601 -7.888 444 2HB ASN 56 HB1 ASN 56 -8.374 7.526 -9.582 445 1HD2 ASN 56 HD21 ASN 56 -6.759 7.952 -6.446 446 2HD2 ASN 56 HD22 ASN 56 -5.506 6.802 -6.746 447 HA PRO 57 HA PRO 57 -8.462 11.667 -5.264 448 1HB PRO 57 HB2 PRO 57 -10.863 13.006 -5.908 449 2HB PRO 57 HB1 PRO 57 -9.229 13.647 -5.995 450 1HG PRO 57 HG2 PRO 57 -10.920 13.208 -8.153 451 2HG PRO 57 HG1 PRO 57 -9.163 13.421 -8.243 452 1HD PRO 57 HD2 PRO 57 -10.776 10.912 -8.269 453 2HD PRO 57 HD1 PRO 57 -9.292 11.319 -9.159 454 H LYS 58 HN LYS 58 -9.831 9.039 -5.937 455 HA LYS 58 HA LYS 58 -11.813 9.154 -3.772 456 1HB LYS 58 HB2 LYS 58 -12.096 8.037 -6.518 457 2HB LYS 58 HB1 LYS 58 -12.852 7.157 -5.198 458 1HG LYS 58 HG2 LYS 58 -14.132 9.121 -4.582 459 2HG LYS 58 HG1 LYS 58 -13.331 10.058 -5.845 460 1HD LYS 58 HD2 LYS 58 -14.238 8.365 -7.493 461 2HD LYS 58 HD1 LYS 58 -15.230 7.745 -6.172 462 1HE LYS 58 HE2 LYS 58 -15.243 10.639 -6.991 463 2HE LYS 58 HE1 LYS 58 -16.315 9.443 -7.719 464 1HZ LYS 58 HZ1 LYS 58 -16.322 10.533 -4.999 465 2HZ LYS 58 HZ2 LYS 58 -16.858 8.945 -5.225 466 3HZ LYS 58 HZ3 LYS 58 -17.620 10.218 -6.037 467 H ALA 59 HN ALA 59 -8.893 8.036 -4.620 468 HA ALA 59 HA ALA 59 -8.903 5.295 -4.103 469 1HB ALA 59 HB1 ALA 59 -6.979 7.291 -4.581 470 2HB ALA 59 HB2 ALA 59 -6.747 5.543 -4.567 471 3HB ALA 59 HB3 ALA 59 -6.500 6.477 -3.091 472 H THR 60 HN THR 60 -7.097 4.897 -2.024 473 HA THR 60 HA THR 60 -8.395 5.908 0.391 474 HB THR 60 HB THR 60 -8.492 3.578 1.311 475 HG1 THR 60 HG1 THR 60 -7.007 2.743 -0.334 476 1HG2 THR 60 HG21 THR 60 -10.410 2.782 -0.137 477 2HG2 THR 60 HG22 THR 60 -10.153 4.244 -1.090 478 3HG2 THR 60 HG23 THR 60 -10.580 4.367 0.616 479 HA PRO 61 HA PRO 61 -4.477 6.133 2.378 480 1HB PRO 61 HB2 PRO 61 -5.326 3.922 4.202 481 2HB PRO 61 HB1 PRO 61 -4.596 5.482 4.591 482 1HG PRO 61 HG2 PRO 61 -7.207 5.087 4.932 483 2HG PRO 61 HG1 PRO 61 -6.589 6.635 4.326 484 1HD PRO 61 HD2 PRO 61 -7.990 4.454 2.872 485 2HD PRO 61 HD1 PRO 61 -8.004 6.202 2.571 486 HA PRO 62 HA PRO 62 -2.840 1.588 2.003 487 1HB PRO 62 HB2 PRO 62 -4.530 -0.262 0.943 488 2HB PRO 62 HB1 PRO 62 -4.381 0.029 2.679 489 1HG PRO 62 HG2 PRO 62 -6.442 1.040 0.759 490 2HG PRO 62 HG1 PRO 62 -6.659 0.398 2.398 491 1HD PRO 62 HD2 PRO 62 -6.670 3.041 1.878 492 2HD PRO 62 HD1 PRO 62 -6.031 2.381 3.394 493 H GLN 63 HN GLN 63 -1.760 2.773 0.351 494 HA GLN 63 HA GLN 63 -2.475 1.879 -2.354 495 1HB GLN 63 HB2 GLN 63 -1.656 4.692 -1.603 496 2HB GLN 63 HB1 GLN 63 -1.850 4.101 -3.248 497 1HG GLN 63 HG2 GLN 63 -4.200 3.621 -1.617 498 2HG GLN 63 HG1 GLN 63 -3.774 5.329 -1.704 499 1HE2 GLN 63 HE21 GLN 63 -4.782 2.527 -3.487 500 2HE2 GLN 63 HE22 GLN 63 -5.231 3.355 -4.935 501 H ILE 64 HN ILE 64 -0.804 1.105 -3.496 502 HA ILE 64 HA ILE 64 1.813 1.081 -2.231 503 HB ILE 64 HB ILE 64 0.992 -0.283 -4.794 504 1HG1 ILE 64 HG12 ILE 64 1.084 -2.270 -2.950 505 2HG1 ILE 64 HG11 ILE 64 0.468 -0.950 -1.960 506 1HG2 ILE 64 HG21 ILE 64 3.487 0.097 -3.772 507 2HG2 ILE 64 HG22 ILE 64 3.021 -1.235 -4.829 508 3HG2 ILE 64 HG23 ILE 64 3.053 -1.467 -3.081 509 1HD1 ILE 64 HD11 ILE 64 -1.149 -2.553 -3.251 510 2HD1 ILE 64 HD12 ILE 64 -0.802 -1.465 -4.596 511 3HD1 ILE 64 HD13 ILE 64 -1.502 -0.831 -3.106 512 H VAL 65 HN VAL 65 3.453 2.339 -2.804 513 HA VAL 65 HA VAL 65 3.446 3.567 -5.475 514 HB VAL 65 HB VAL 65 4.083 4.996 -2.891 515 1HG1 VAL 65 HG11 VAL 65 5.251 6.475 -4.061 516 2HG1 VAL 65 HG12 VAL 65 3.874 6.748 -5.128 517 3HG1 VAL 65 HG13 VAL 65 5.043 5.484 -5.504 518 1HG2 VAL 65 HG21 VAL 65 1.704 4.758 -3.192 519 2HG2 VAL 65 HG22 VAL 65 1.822 5.332 -4.856 520 3HG2 VAL 65 HG23 VAL 65 2.163 6.430 -3.519 521 H ASN 66 HN ASN 66 5.406 3.706 -6.464 522 HA ASN 66 HA ASN 66 7.629 2.368 -5.104 523 1HB ASN 66 HB2 ASN 66 6.580 1.941 -7.586 524 2HB ASN 66 HB1 ASN 66 7.920 3.020 -7.964 525 1HD2 ASN 66 HD21 ASN 66 7.464 0.398 -5.614 526 2HD2 ASN 66 HD22 ASN 66 8.856 -0.504 -6.098 527 H GLY 67 HN GLY 67 7.352 4.826 -4.112 528 1HA GLY 67 HA2 GLY 67 9.188 6.324 -3.630 529 2HA GLY 67 HA1 GLY 67 9.605 6.283 -5.336 530 H ASP 68 HN ASP 68 7.808 7.121 -6.813 531 HA ASP 68 HA ASP 68 6.144 9.174 -5.608 532 1HB ASP 68 HB2 ASP 68 7.046 10.965 -7.039 533 2HB ASP 68 HB1 ASP 68 8.268 10.342 -5.934 534 H GLN 69 HN GLN 69 5.437 6.800 -6.910 535 HA GLN 69 HA GLN 69 3.857 7.891 -9.083 536 1HB GLN 69 HB2 GLN 69 6.192 6.306 -9.571 537 2HB GLN 69 HB1 GLN 69 4.773 5.385 -10.048 538 1HG GLN 69 HG2 GLN 69 4.117 7.650 -11.218 539 2HG GLN 69 HG1 GLN 69 5.859 7.915 -11.157 540 1HE2 GLN 69 HE21 GLN 69 3.380 5.651 -12.228 541 2HE2 GLN 69 HE22 GLN 69 4.287 4.999 -13.546 542 H TYR 70 HN TYR 70 2.188 6.319 -9.811 543 HA TYR 70 HA TYR 70 1.044 5.028 -7.507 544 1HB TYR 70 HB2 TYR 70 -0.164 6.338 -9.413 545 2HB TYR 70 HB1 TYR 70 -0.082 4.808 -10.277 546 HD1 TYR 70 HD1 TYR 70 -0.671 5.384 -6.647 547 HD2 TYR 70 HD2 TYR 70 -2.308 4.104 -10.360 548 HE1 TYR 70 HE1 TYR 70 -2.699 4.623 -5.484 549 HE2 TYR 70 HE2 TYR 70 -4.341 3.343 -9.207 550 HH TYR 70 HH TYR 70 -4.906 2.572 -6.785 551 H CYS 71 HN CYS 71 1.947 3.158 -6.921 552 HA CYS 71 HA CYS 71 2.972 1.282 -8.845 553 1HB CYS 71 HB2 CYS 71 3.727 1.786 -6.359 554 2HB CYS 71 HB1 CYS 71 2.544 0.538 -5.984 555 HG CYS 71 HG CYS 71 5.168 0.074 -7.566 556 H GLY 72 HN GLY 72 0.272 1.242 -6.498 557 1HA GLY 72 HA2 GLY 72 -1.432 -0.173 -8.261 558 2HA GLY 72 HA1 GLY 72 -0.707 -1.293 -7.120 559 H ASP 73 HN ASP 73 -2.706 -1.779 -6.202 560 HA ASP 73 HA ASP 73 -3.582 0.158 -4.213 561 1HB ASP 73 HB2 ASP 73 -4.975 0.068 -6.543 562 2HB ASP 73 HB1 ASP 73 -5.822 -1.167 -5.616 563 H TYR 74 HN TYR 74 -5.829 -1.191 -3.308 564 HA TYR 74 HA TYR 74 -4.632 -3.301 -1.815 565 1HB TYR 74 HB2 TYR 74 -6.358 -1.864 -0.842 566 2HB TYR 74 HB1 TYR 74 -7.528 -2.446 -2.023 567 HD1 TYR 74 HD1 TYR 74 -5.772 -3.178 1.081 568 HD2 TYR 74 HD2 TYR 74 -8.405 -4.741 -1.873 569 HE1 TYR 74 HE1 TYR 74 -6.401 -4.996 2.612 570 HE2 TYR 74 HE2 TYR 74 -9.042 -6.563 -0.349 571 HH TYR 74 HH TYR 74 -8.198 -7.727 1.584 572 H GLU 75 HN GLU 75 -7.128 -3.209 -4.348 573 HA GLU 75 HA GLU 75 -7.729 -5.913 -4.437 574 1HB GLU 75 HB2 GLU 75 -8.526 -3.664 -5.773 575 2HB GLU 75 HB1 GLU 75 -7.688 -4.550 -7.035 576 1HG GLU 75 HG2 GLU 75 -9.409 -6.299 -5.546 577 2HG GLU 75 HG1 GLU 75 -10.304 -4.905 -6.145 578 H LEU 76 HN LEU 76 -5.297 -4.103 -6.299 579 HA LEU 76 HA LEU 76 -4.348 -6.211 -7.853 580 1HB LEU 76 HB2 LEU 76 -2.819 -3.839 -6.782 581 2HB LEU 76 HB1 LEU 76 -2.290 -4.875 -8.094 582 HG LEU 76 HG LEU 76 -4.711 -4.099 -9.035 583 1HD1 LEU 76 HD11 LEU 76 -5.452 -2.148 -8.246 584 2HD1 LEU 76 HD12 LEU 76 -3.830 -1.460 -8.171 585 3HD1 LEU 76 HD13 LEU 76 -4.423 -2.464 -6.849 586 1HD2 LEU 76 HD21 LEU 76 -2.316 -3.998 -10.000 587 2HD2 LEU 76 HD22 LEU 76 -2.330 -2.329 -9.430 588 3HD2 LEU 76 HD23 LEU 76 -3.528 -2.869 -10.606 589 H PHE 77 HN PHE 77 -2.651 -4.853 -5.027 590 HA PHE 77 HA PHE 77 -0.757 -6.784 -4.671 591 1HB PHE 77 HB2 PHE 77 -0.777 -4.750 -3.354 592 2HB PHE 77 HB1 PHE 77 -2.256 -5.247 -2.541 593 HD1 PHE 77 HD1 PHE 77 -2.195 -7.199 -0.986 594 HD2 PHE 77 HD2 PHE 77 1.338 -5.463 -2.603 595 HE1 PHE 77 HE1 PHE 77 -0.861 -8.282 0.776 596 HE2 PHE 77 HE2 PHE 77 2.678 -6.543 -0.845 597 HZ PHE 77 HZ PHE 77 1.579 -7.955 0.847 598 H VAL 78 HN VAL 78 -4.015 -6.792 -3.229 599 HA VAL 78 HA VAL 78 -3.720 -9.302 -1.951 600 HB VAL 78 HB VAL 78 -6.296 -7.970 -2.796 601 1HG1 VAL 78 HG11 VAL 78 -6.857 -9.253 -0.498 602 2HG1 VAL 78 HG12 VAL 78 -5.628 -10.331 -1.160 603 3HG1 VAL 78 HG13 VAL 78 -7.079 -9.969 -2.095 604 1HG2 VAL 78 HG21 VAL 78 -5.392 -7.731 -0.010 605 2HG2 VAL 78 HG22 VAL 78 -6.166 -6.544 -1.060 606 3HG2 VAL 78 HG23 VAL 78 -4.431 -6.836 -1.187 607 H GLU 79 HN GLU 79 -4.730 -8.343 -5.160 608 HA GLU 79 HA GLU 79 -5.791 -10.931 -5.837 609 1HB GLU 79 HB2 GLU 79 -6.685 -8.924 -6.902 610 2HB GLU 79 HB1 GLU 79 -5.106 -8.567 -7.590 611 1HG GLU 79 HG2 GLU 79 -5.432 -9.939 -9.305 612 2HG GLU 79 HG1 GLU 79 -6.010 -11.238 -8.261 613 H ALA 80 HN ALA 80 -2.699 -9.883 -5.375 614 HA ALA 80 HA ALA 80 -1.566 -11.477 -7.556 615 1HB ALA 80 HB1 ALA 80 -0.036 -9.820 -5.567 616 2HB ALA 80 HB2 ALA 80 -0.740 -9.142 -7.035 617 3HB ALA 80 HB3 ALA 80 0.494 -10.396 -7.147 618 H VAL 81 HN VAL 81 -1.274 -11.138 -4.015 619 HA VAL 81 HA VAL 81 0.387 -13.310 -3.525 620 HB VAL 81 HB VAL 81 -1.891 -12.441 -1.738 621 1HG1 VAL 81 HG11 VAL 81 -0.373 -13.220 0.064 622 2HG1 VAL 81 HG12 VAL 81 0.718 -13.841 -1.174 623 3HG1 VAL 81 HG13 VAL 81 -0.906 -14.509 -1.014 624 1HG2 VAL 81 HG21 VAL 81 0.907 -11.333 -1.939 625 2HG2 VAL 81 HG22 VAL 81 -0.258 -10.931 -0.680 626 3HG2 VAL 81 HG23 VAL 81 -0.585 -10.493 -2.355 627 H GLU 82 HN GLU 82 -2.994 -13.199 -4.285 628 HA GLU 82 HA GLU 82 -3.860 -15.684 -3.382 629 1HB GLU 82 HB2 GLU 82 -5.545 -15.478 -5.265 630 2HB GLU 82 HB1 GLU 82 -5.480 -14.134 -4.132 631 1HG GLU 82 HG2 GLU 82 -5.290 -12.794 -5.882 632 2HG GLU 82 HG1 GLU 82 -3.664 -13.440 -6.112 633 H GLN 83 HN GLN 83 -2.510 -14.812 -6.560 634 HA GLN 83 HA GLN 83 -2.318 -17.658 -7.232 635 1HB GLN 83 HB2 GLN 83 -3.165 -15.536 -8.728 636 2HB GLN 83 HB1 GLN 83 -1.488 -15.665 -9.237 637 1HG GLN 83 HG2 GLN 83 -2.916 -18.217 -9.146 638 2HG GLN 83 HG1 GLN 83 -3.564 -17.056 -10.304 639 1HE2 GLN 83 HE21 GLN 83 -1.786 -15.931 -11.613 640 2HE2 GLN 83 HE22 GLN 83 -0.562 -16.967 -12.256 641 H ASN 84 HN ASN 84 -0.502 -15.638 -5.580 642 HA ASN 84 HA ASN 84 1.673 -15.677 -4.959 643 1HB ASN 84 HB2 ASN 84 1.400 -18.134 -6.297 644 2HB ASN 84 HB1 ASN 84 2.839 -17.386 -6.983 645 1HD2 ASN 84 HD21 ASN 84 1.313 -18.459 -4.018 646 2HD2 ASN 84 HD22 ASN 84 2.771 -18.632 -3.107 647 H THR 85 HN THR 85 0.407 -14.138 -7.220 648 HA THR 85 HA THR 85 2.609 -13.544 -8.976 649 HB THR 85 HB THR 85 0.247 -11.747 -8.841 650 HG1 THR 85 HG1 THR 85 -1.081 -13.244 -9.799 651 1HG2 THR 85 HG21 THR 85 2.234 -12.103 -10.668 652 2HG2 THR 85 HG22 THR 85 0.672 -11.349 -10.989 653 3HG2 THR 85 HG23 THR 85 0.919 -13.057 -11.356 654 H LEU 86 HN LEU 86 1.502 -12.512 -5.927 655 HA LEU 86 HA LEU 86 1.894 -9.926 -5.545 656 1HB LEU 86 HB2 LEU 86 1.589 -11.539 -3.736 657 2HB LEU 86 HB1 LEU 86 3.254 -12.059 -3.907 658 HG LEU 86 HG LEU 86 3.937 -9.696 -3.342 659 1HD1 LEU 86 HD11 LEU 86 1.345 -9.260 -2.012 660 2HD1 LEU 86 HD12 LEU 86 1.364 -9.051 -3.764 661 3HD1 LEU 86 HD13 LEU 86 2.455 -8.105 -2.751 662 1HD2 LEU 86 HD21 LEU 86 2.931 -10.139 -0.850 663 2HD2 LEU 86 HD22 LEU 86 4.372 -10.914 -1.510 664 3HD2 LEU 86 HD23 LEU 86 2.817 -11.744 -1.573 665 H GLN 87 HN GLN 87 4.638 -12.159 -6.010 666 HA GLN 87 HA GLN 87 6.701 -10.332 -5.654 667 1HB GLN 87 HB2 GLN 87 7.210 -12.671 -5.867 668 2HB GLN 87 HB1 GLN 87 6.536 -12.724 -7.490 669 1HG GLN 87 HG2 GLN 87 8.325 -11.481 -8.387 670 2HG GLN 87 HG1 GLN 87 8.893 -11.003 -6.789 671 1HE2 GLN 87 HE21 GLN 87 8.015 -14.110 -8.268 672 2HE2 GLN 87 HE22 GLN 87 9.496 -14.909 -7.880 673 H GLU 88 HN GLU 88 5.101 -11.255 -8.702 674 HA GLU 88 HA GLU 88 6.413 -9.615 -10.464 675 1HB GLU 88 HB2 GLU 88 4.233 -11.245 -10.614 676 2HB GLU 88 HB1 GLU 88 3.491 -9.668 -10.844 677 1HG GLU 88 HG2 GLU 88 3.964 -10.316 -13.000 678 2HG GLU 88 HG1 GLU 88 5.354 -9.308 -12.596 679 H PHE 89 HN PHE 89 4.210 -8.724 -7.955 680 HA PHE 89 HA PHE 89 3.996 -5.990 -8.969 681 1HB PHE 89 HB2 PHE 89 1.906 -7.074 -8.289 682 2HB PHE 89 HB1 PHE 89 2.568 -7.372 -6.687 683 HD1 PHE 89 HD1 PHE 89 0.665 -5.174 -8.683 684 HD2 PHE 89 HD2 PHE 89 3.299 -5.281 -5.344 685 HE1 PHE 89 HE1 PHE 89 -0.221 -3.010 -7.920 686 HE2 PHE 89 HE2 PHE 89 2.420 -3.116 -4.575 687 HZ PHE 89 HZ PHE 89 0.657 -1.977 -5.863 688 H LEU 90 HN LEU 90 5.462 -7.893 -6.456 689 HA LEU 90 HA LEU 90 6.215 -5.545 -4.913 690 1HB LEU 90 HB2 LEU 90 6.276 -8.476 -4.500 691 2HB LEU 90 HB1 LEU 90 7.522 -7.547 -3.688 692 HG LEU 90 HG LEU 90 4.559 -7.043 -3.403 693 1HD1 LEU 90 HD11 LEU 90 5.704 -9.232 -2.462 694 2HD1 LEU 90 HD12 LEU 90 4.510 -8.333 -1.526 695 3HD1 LEU 90 HD13 LEU 90 6.229 -8.120 -1.197 696 1HD2 LEU 90 HD21 LEU 90 5.298 -5.683 -1.462 697 2HD2 LEU 90 HD22 LEU 90 5.835 -5.044 -3.015 698 3HD2 LEU 90 HD23 LEU 90 6.967 -5.916 -1.981 699 H LYS 91 HN LYS 91 8.198 -8.352 -5.826 700 HA LYS 91 HA LYS 91 10.473 -6.577 -6.208 701 1HB LYS 91 HB2 LYS 91 10.552 -9.564 -6.512 702 2HB LYS 91 HB1 LYS 91 11.843 -8.472 -6.031 703 1HG LYS 91 HG2 LYS 91 9.403 -8.923 -4.341 704 2HG LYS 91 HG1 LYS 91 10.847 -9.932 -4.223 705 1HD LYS 91 HD2 LYS 91 12.189 -7.963 -3.694 706 2HD LYS 91 HD1 LYS 91 10.760 -6.938 -3.845 707 1HE LYS 91 HE2 LYS 91 9.707 -8.138 -1.990 708 2HE LYS 91 HE1 LYS 91 11.135 -9.161 -1.840 709 1HZ LYS 91 HZ1 LYS 91 11.242 -7.430 -0.215 710 2HZ LYS 91 HZ2 LYS 91 10.995 -6.231 -1.382 711 3HZ LYS 91 HZ3 LYS 91 12.430 -7.126 -1.380 712 H LEU 92 HN LEU 92 8.063 -7.844 -8.137 713 HA LEU 92 HA LEU 92 7.818 -8.265 -10.366 714 1HB LEU 92 HB2 LEU 92 9.881 -6.269 -11.075 715 2HB LEU 92 HB1 LEU 92 8.238 -6.439 -11.653 716 HG LEU 92 HG LEU 92 8.174 -4.421 -10.526 717 1HD1 LEU 92 HD11 LEU 92 7.381 -5.370 -8.021 718 2HD1 LEU 92 HD12 LEU 92 6.962 -6.643 -9.163 719 3HD1 LEU 92 HD13 LEU 92 6.355 -5.007 -9.408 720 1HD2 LEU 92 HD21 LEU 92 9.631 -3.738 -8.977 721 2HD2 LEU 92 HD22 LEU 92 10.503 -5.221 -9.364 722 3HD2 LEU 92 HD23 LEU 92 9.405 -5.178 -7.986 723 H ALA 93 HN ALA 93 9.971 -9.783 -9.019 724 HA ALA 93 HA ALA 93 10.940 -11.296 -11.079 725 1HB ALA 93 HB1 ALA 93 12.313 -9.805 -12.108 726 2HB ALA 93 HB2 ALA 93 13.441 -10.391 -10.886 727 3HB ALA 93 HB3 ALA 93 12.584 -8.870 -10.637 728 H LEU 94 HN LEU 94 12.933 -9.830 -8.529 729 HA LEU 94 HA LEU 94 12.556 -12.045 -6.739 730 1HB LEU 94 HB2 LEU 94 14.856 -11.951 -8.568 731 2HB LEU 94 HB1 LEU 94 15.280 -12.199 -6.885 732 HG LEU 94 HG LEU 94 13.125 -13.909 -8.005 733 1HD1 LEU 94 HD11 LEU 94 14.602 -14.115 -9.819 734 2HD1 LEU 94 HD12 LEU 94 14.948 -15.499 -8.782 735 3HD1 LEU 94 HD13 LEU 94 16.022 -14.101 -8.773 736 1HD2 LEU 94 HD21 LEU 94 15.159 -13.980 -5.863 737 2HD2 LEU 94 HD22 LEU 94 14.761 -15.518 -6.627 738 3HD2 LEU 94 HD23 LEU 94 13.492 -14.556 -5.868 739 H GLU 95 HN GLU 95 14.649 -9.311 -7.608 740 HA GLU 95 HA GLU 95 15.152 -8.739 -4.800 741 1HB GLU 95 HB2 GLU 95 16.817 -8.533 -6.828 742 2HB GLU 95 HB1 GLU 95 16.060 -6.959 -7.026 743 1HG GLU 95 HG2 GLU 95 16.979 -6.119 -5.133 744 2HG GLU 95 HG1 GLU 95 16.992 -7.680 -4.313 Start of MODEL 18 1 1H MET 1 HT1 MET 1 16.821 -2.572 2.228 2 2H MET 1 HT2 MET 1 16.802 -1.001 1.538 3 3H MET 1 HT3 MET 1 18.294 -1.743 1.946 4 HA MET 1 HA MET 1 18.141 -1.958 -0.316 5 1HB MET 1 HB2 MET 1 17.263 -4.411 1.192 6 2HB MET 1 HB1 MET 1 17.587 -4.473 -0.535 7 1HG MET 1 HG2 MET 1 19.814 -4.326 -0.263 8 2HG MET 1 HG1 MET 1 19.683 -3.229 1.111 9 1HE MET 1 HE1 MET 1 21.953 -5.174 1.386 10 2HE MET 1 HE2 MET 1 21.666 -5.912 2.961 11 3HE MET 1 HE3 MET 1 21.376 -4.188 2.729 12 H SER 2 HN SER 2 15.204 -3.587 0.898 13 HA SER 2 HA SER 2 13.823 -2.937 -1.576 14 1HB SER 2 HB2 SER 2 13.316 -4.767 0.727 15 2HB SER 2 HB1 SER 2 11.931 -4.217 -0.216 16 HG SER 2 HG SER 2 13.194 -6.226 -0.865 17 H GLY 3 HN GLY 3 13.270 -0.814 -1.603 18 1HA GLY 3 HA2 GLY 3 11.983 0.342 0.762 19 2HA GLY 3 HA1 GLY 3 12.569 1.233 -0.634 20 H LEU 4 HN LEU 4 9.930 1.139 0.803 21 HA LEU 4 HA LEU 4 8.291 1.197 -1.568 22 1HB LEU 4 HB2 LEU 4 7.849 -0.847 0.598 23 2HB LEU 4 HB1 LEU 4 6.560 -0.322 -0.468 24 HG LEU 4 HG LEU 4 9.114 -1.689 -1.320 25 1HD1 LEU 4 HD11 LEU 4 7.248 -3.364 -2.107 26 2HD1 LEU 4 HD12 LEU 4 6.338 -2.620 -0.793 27 3HD1 LEU 4 HD13 LEU 4 7.879 -3.411 -0.461 28 1HD2 LEU 4 HD21 LEU 4 6.758 -0.692 -2.913 29 2HD2 LEU 4 HD22 LEU 4 7.989 -1.789 -3.538 30 3HD2 LEU 4 HD23 LEU 4 8.434 -0.158 -3.036 31 H ARG 5 HN ARG 5 6.679 2.664 -1.375 32 HA ARG 5 HA ARG 5 6.341 3.900 1.272 33 1HB ARG 5 HB2 ARG 5 5.441 5.157 -1.301 34 2HB ARG 5 HB1 ARG 5 5.855 5.934 0.220 35 1HG ARG 5 HG2 ARG 5 8.227 4.844 -0.367 36 2HG ARG 5 HG1 ARG 5 7.590 5.058 -1.999 37 1HD ARG 5 HD2 ARG 5 7.103 7.434 -1.421 38 2HD ARG 5 HD1 ARG 5 7.924 7.178 0.118 39 HE ARG 5 HE ARG 5 9.601 6.422 -2.031 40 1HH1 ARG 5 HH11 ARG 5 8.310 9.241 -0.431 41 2HH1 ARG 5 HH12 ARG 5 9.641 10.256 -0.872 42 1HH2 ARG 5 HH21 ARG 5 11.354 7.754 -2.612 43 2HH2 ARG 5 HH22 ARG 5 11.370 9.412 -2.111 44 H VAL 6 HN VAL 6 4.842 2.226 1.905 45 HA VAL 6 HA VAL 6 2.348 1.961 0.490 46 HB VAL 6 HB VAL 6 3.026 0.959 3.257 47 1HG1 VAL 6 HG11 VAL 6 0.750 0.589 1.396 48 2HG1 VAL 6 HG12 VAL 6 0.781 0.624 3.160 49 3HG1 VAL 6 HG13 VAL 6 1.295 -0.826 2.297 50 1HG2 VAL 6 HG21 VAL 6 3.420 -0.345 0.567 51 2HG2 VAL 6 HG22 VAL 6 3.513 -1.197 2.108 52 3HG2 VAL 6 HG23 VAL 6 4.666 0.085 1.738 53 H TYR 7 HN TYR 7 0.721 3.342 0.642 54 HA TYR 7 HA TYR 7 0.666 5.352 2.702 55 1HB TYR 7 HB2 TYR 7 -1.022 4.757 0.290 56 2HB TYR 7 HB1 TYR 7 -1.561 5.927 1.490 57 HD1 TYR 7 HD1 TYR 7 -0.232 7.988 1.884 58 HD2 TYR 7 HD2 TYR 7 0.711 5.283 -1.261 59 HE1 TYR 7 HE1 TYR 7 1.130 9.727 0.805 60 HE2 TYR 7 HE2 TYR 7 2.077 7.014 -2.347 61 HH TYR 7 HH TYR 7 3.370 9.175 -1.446 62 H SER 8 HN SER 8 -0.957 5.677 4.240 63 HA SER 8 HA SER 8 -3.059 3.745 4.597 64 1HB SER 8 HB2 SER 8 -1.419 3.857 7.039 65 2HB SER 8 HB1 SER 8 -2.237 2.486 6.290 66 HG SER 8 HG SER 8 -0.184 1.997 5.925 67 H THR 9 HN THR 9 -4.231 4.200 6.747 68 HA THR 9 HA THR 9 -4.149 7.095 7.291 69 HB THR 9 HB THR 9 -6.111 6.605 5.963 70 HG1 THR 9 HG1 THR 9 -6.364 8.066 7.721 71 1HG2 THR 9 HG21 THR 9 -6.220 4.156 6.722 72 2HG2 THR 9 HG22 THR 9 -7.729 5.017 6.422 73 3HG2 THR 9 HG23 THR 9 -7.166 4.774 8.075 74 H SER 10 HN SER 10 -3.025 7.030 9.191 75 HA SER 10 HA SER 10 -3.322 5.141 11.231 76 1HB SER 10 HB2 SER 10 -2.329 6.992 12.696 77 2HB SER 10 HB1 SER 10 -1.380 6.496 11.295 78 HG SER 10 HG SER 10 -2.722 8.880 11.789 79 H VAL 11 HN VAL 11 -5.062 8.117 10.563 80 HA VAL 11 HA VAL 11 -6.472 8.162 13.052 81 HB VAL 11 HB VAL 11 -7.246 9.541 10.480 82 1HG1 VAL 11 HG11 VAL 11 -7.776 10.737 13.127 83 2HG1 VAL 11 HG12 VAL 11 -8.730 9.315 12.704 84 3HG1 VAL 11 HG13 VAL 11 -8.758 10.738 11.662 85 1HG2 VAL 11 HG21 VAL 11 -4.865 9.942 11.357 86 2HG2 VAL 11 HG22 VAL 11 -5.648 10.795 12.687 87 3HG2 VAL 11 HG23 VAL 11 -5.875 11.350 11.029 88 H THR 12 HN THR 12 -7.114 6.911 9.826 89 HA THR 12 HA THR 12 -8.754 5.577 8.986 90 HB THR 12 HB THR 12 -9.455 3.758 10.314 91 HG1 THR 12 HG1 THR 12 -10.390 4.507 12.079 92 1HG2 THR 12 HG21 THR 12 -7.124 3.536 10.106 93 2HG2 THR 12 HG22 THR 12 -7.498 3.194 11.795 94 3HG2 THR 12 HG23 THR 12 -6.820 4.758 11.341 95 H GLY 13 HN GLY 13 -11.206 4.746 9.827 96 1HA GLY 13 HA2 GLY 13 -12.744 6.790 11.076 97 2HA GLY 13 HA1 GLY 13 -12.862 6.905 9.327 98 H SER 14 HN SER 14 -12.894 4.272 8.569 99 HA SER 14 HA SER 14 -15.529 3.470 9.524 100 1HB SER 14 HB2 SER 14 -14.213 1.896 7.391 101 2HB SER 14 HB1 SER 14 -15.857 2.527 7.478 102 HG SER 14 HG SER 14 -15.224 4.356 6.579 103 H ARG 15 HN ARG 15 -15.482 0.761 8.980 104 HA ARG 15 HA ARG 15 -13.718 -0.226 11.094 105 1HB ARG 15 HB2 ARG 15 -16.402 -1.173 10.152 106 2HB ARG 15 HB1 ARG 15 -15.390 -2.131 11.224 107 1HG ARG 15 HG2 ARG 15 -15.474 0.333 12.460 108 2HG ARG 15 HG1 ARG 15 -17.104 0.137 11.812 109 1HD ARG 15 HD2 ARG 15 -17.243 -2.071 12.893 110 2HD ARG 15 HD1 ARG 15 -15.637 -1.821 13.577 111 HE ARG 15 HE ARG 15 -16.555 -0.427 15.151 112 1HH1 ARG 15 HH11 ARG 15 -18.897 -1.000 12.627 113 2HH1 ARG 15 HH12 ARG 15 -20.197 -0.250 13.491 114 1HH2 ARG 15 HH21 ARG 15 -18.264 0.559 16.289 115 2HH2 ARG 15 HH22 ARG 15 -19.838 0.636 15.569 116 H GLU 16 HN GLU 16 -14.312 -0.345 7.869 117 HA GLU 16 HA GLU 16 -13.000 -2.933 7.475 118 1HB GLU 16 HB2 GLU 16 -13.739 -2.793 5.162 119 2HB GLU 16 HB1 GLU 16 -15.101 -2.534 6.243 120 1HG GLU 16 HG2 GLU 16 -14.778 -0.074 5.912 121 2HG GLU 16 HG1 GLU 16 -13.598 -0.467 4.663 122 H ILE 17 HN ILE 17 -12.634 0.494 6.940 123 HA ILE 17 HA ILE 17 -10.479 0.496 5.163 124 HB ILE 17 HB ILE 17 -11.053 2.486 7.363 125 1HG1 ILE 17 HG12 ILE 17 -12.969 2.111 5.842 126 2HG1 ILE 17 HG11 ILE 17 -12.297 3.731 5.680 127 1HG2 ILE 17 HG21 ILE 17 -9.094 2.399 5.162 128 2HG2 ILE 17 HG22 ILE 17 -9.028 3.242 6.709 129 3HG2 ILE 17 HG23 ILE 17 -9.951 3.926 5.371 130 1HD1 ILE 17 HD11 ILE 17 -12.196 1.439 3.781 131 2HD1 ILE 17 HD12 ILE 17 -10.940 2.677 3.732 132 3HD1 ILE 17 HD13 ILE 17 -12.630 3.124 3.493 133 H LYS 18 HN LYS 18 -10.605 0.056 8.640 134 HA LYS 18 HA LYS 18 -7.791 0.301 9.063 135 1HB LYS 18 HB2 LYS 18 -9.987 -0.902 10.753 136 2HB LYS 18 HB1 LYS 18 -8.318 -0.748 11.286 137 1HG LYS 18 HG2 LYS 18 -8.491 1.473 11.639 138 2HG LYS 18 HG1 LYS 18 -9.595 1.715 10.283 139 1HD LYS 18 HD2 LYS 18 -11.118 2.020 11.920 140 2HD LYS 18 HD1 LYS 18 -11.159 0.255 11.930 141 1HE LYS 18 HE2 LYS 18 -10.742 0.506 14.128 142 2HE LYS 18 HE1 LYS 18 -9.076 0.713 13.589 143 1HZ LYS 18 HZ1 LYS 18 -9.547 2.495 15.033 144 2HZ LYS 18 HZ2 LYS 18 -11.031 2.826 14.291 145 3HZ LYS 18 HZ3 LYS 18 -9.586 3.154 13.474 146 H SER 19 HN SER 19 -9.987 -2.346 8.372 147 HA SER 19 HA SER 19 -8.222 -4.469 8.949 148 1HB SER 19 HB2 SER 19 -10.333 -4.623 6.811 149 2HB SER 19 HB1 SER 19 -9.802 -5.877 7.930 150 HG SER 19 HG SER 19 -11.893 -4.655 8.315 151 H GLN 20 HN GLN 20 -8.584 -2.378 6.186 152 HA GLN 20 HA GLN 20 -7.279 -3.911 4.244 153 1HB GLN 20 HB2 GLN 20 -7.121 -0.906 4.472 154 2HB GLN 20 HB1 GLN 20 -7.003 -1.878 3.012 155 1HG GLN 20 HG2 GLN 20 -9.442 -1.385 4.696 156 2HG GLN 20 HG1 GLN 20 -9.147 -0.860 3.040 157 1HE2 GLN 20 HE21 GLN 20 -11.299 -2.499 4.222 158 2HE2 GLN 20 HE22 GLN 20 -11.311 -3.968 3.313 159 H GLN 21 HN GLN 21 -5.993 -1.620 6.620 160 HA GLN 21 HA GLN 21 -3.290 -1.868 5.740 161 1HB GLN 21 HB2 GLN 21 -4.223 -0.937 8.455 162 2HB GLN 21 HB1 GLN 21 -2.715 -0.537 7.643 163 1HG GLN 21 HG2 GLN 21 -3.680 1.024 6.308 164 2HG GLN 21 HG1 GLN 21 -5.236 0.198 6.275 165 1HE2 GLN 21 HE21 GLN 21 -6.788 1.239 7.274 166 2HE2 GLN 21 HE22 GLN 21 -6.608 2.292 8.633 167 H SER 22 HN SER 22 -5.296 -3.522 8.076 168 HA SER 22 HA SER 22 -3.279 -4.797 9.559 169 1HB SER 22 HB2 SER 22 -5.844 -4.649 9.987 170 2HB SER 22 HB1 SER 22 -5.924 -6.110 9.001 171 HG SER 22 HG SER 22 -4.413 -5.752 11.378 172 H GLU 23 HN GLU 23 -4.891 -5.671 6.547 173 HA GLU 23 HA GLU 23 -3.691 -8.261 6.372 174 1HB GLU 23 HB2 GLU 23 -5.846 -7.364 5.228 175 2HB GLU 23 HB1 GLU 23 -4.745 -6.740 4.007 176 1HG GLU 23 HG2 GLU 23 -5.710 -8.923 3.417 177 2HG GLU 23 HG1 GLU 23 -3.950 -8.951 3.516 178 H VAL 24 HN VAL 24 -3.129 -5.186 4.658 179 HA VAL 24 HA VAL 24 -0.956 -6.026 3.120 180 HB VAL 24 HB VAL 24 -1.412 -3.251 4.227 181 1HG1 VAL 24 HG11 VAL 24 -0.294 -2.794 1.873 182 2HG1 VAL 24 HG12 VAL 24 0.409 -4.384 2.171 183 3HG1 VAL 24 HG13 VAL 24 0.675 -3.073 3.320 184 1HG2 VAL 24 HG21 VAL 24 -2.984 -2.860 2.650 185 2HG2 VAL 24 HG22 VAL 24 -3.211 -4.606 2.757 186 3HG2 VAL 24 HG23 VAL 24 -2.218 -3.923 1.470 187 H THR 25 HN THR 25 -1.117 -4.896 6.440 188 HA THR 25 HA THR 25 1.747 -4.742 6.735 189 HB THR 25 HB THR 25 1.234 -4.329 9.125 190 HG1 THR 25 HG1 THR 25 -0.631 -5.604 9.304 191 1HG2 THR 25 HG21 THR 25 -0.047 -2.729 6.987 192 2HG2 THR 25 HG22 THR 25 1.216 -2.288 8.137 193 3HG2 THR 25 HG23 THR 25 -0.466 -2.366 8.661 194 H ARG 26 HN ARG 26 -0.786 -7.066 7.353 195 HA ARG 26 HA ARG 26 0.668 -8.792 9.054 196 1HB ARG 26 HB2 ARG 26 -1.852 -8.883 7.542 197 2HB ARG 26 HB1 ARG 26 -1.090 -10.452 7.767 198 1HG ARG 26 HG2 ARG 26 -0.902 -9.500 10.267 199 2HG ARG 26 HG1 ARG 26 -2.357 -8.659 9.731 200 1HD ARG 26 HD2 ARG 26 -3.085 -10.690 10.701 201 2HD ARG 26 HD1 ARG 26 -3.221 -10.898 8.956 202 HE ARG 26 HE ARG 26 -0.717 -11.830 9.955 203 1HH1 ARG 26 HH11 ARG 26 -4.083 -12.679 9.601 204 2HH1 ARG 26 HH12 ARG 26 -3.784 -14.384 9.613 205 1HH2 ARG 26 HH21 ARG 26 -0.321 -14.073 9.971 206 2HH2 ARG 26 HH22 ARG 26 -1.648 -15.176 9.823 207 H ILE 27 HN ILE 27 0.131 -8.817 5.542 208 HA ILE 27 HA ILE 27 1.706 -11.140 5.076 209 HB ILE 27 HB ILE 27 1.014 -8.972 3.092 210 1HG1 ILE 27 HG12 ILE 27 -0.528 -11.491 3.753 211 2HG1 ILE 27 HG11 ILE 27 -0.982 -9.874 4.281 212 1HG2 ILE 27 HG21 ILE 27 2.546 -10.275 1.992 213 2HG2 ILE 27 HG22 ILE 27 1.056 -11.134 1.604 214 3HG2 ILE 27 HG23 ILE 27 2.111 -11.733 2.884 215 1HD1 ILE 27 HD11 ILE 27 -1.298 -9.186 1.983 216 2HD1 ILE 27 HD12 ILE 27 -2.265 -10.618 2.339 217 3HD1 ILE 27 HD13 ILE 27 -0.769 -10.771 1.417 218 H LEU 28 HN LEU 28 2.372 -7.691 5.123 219 HA LEU 28 HA LEU 28 4.997 -7.914 4.007 220 1HB LEU 28 HB2 LEU 28 3.574 -5.720 5.501 221 2HB LEU 28 HB1 LEU 28 5.231 -5.561 4.951 222 HG LEU 28 HG LEU 28 2.900 -6.113 3.118 223 1HD1 LEU 28 HD11 LEU 28 2.484 -3.964 3.964 224 2HD1 LEU 28 HD12 LEU 28 3.321 -3.701 2.434 225 3HD1 LEU 28 HD13 LEU 28 4.195 -3.538 3.957 226 1HD2 LEU 28 HD21 LEU 28 5.085 -6.861 2.293 227 2HD2 LEU 28 HD22 LEU 28 5.731 -5.240 2.550 228 3HD2 LEU 28 HD23 LEU 28 4.460 -5.504 1.356 229 H ASP 29 HN ASP 29 3.673 -7.665 7.275 230 HA ASP 29 HA ASP 29 6.131 -7.478 8.637 231 1HB ASP 29 HB2 ASP 29 3.861 -6.982 9.603 232 2HB ASP 29 HB1 ASP 29 3.584 -8.719 9.693 233 H GLY 30 HN GLY 30 4.071 -10.284 7.899 234 1HA GLY 30 HA2 GLY 30 5.631 -12.237 9.150 235 2HA GLY 30 HA1 GLY 30 4.554 -12.526 7.793 236 H LYS 31 HN LYS 31 5.948 -10.759 5.978 237 HA LYS 31 HA LYS 31 7.909 -12.603 5.025 238 1HB LYS 31 HB2 LYS 31 6.853 -9.960 4.097 239 2HB LYS 31 HB1 LYS 31 8.317 -10.609 3.371 240 1HG LYS 31 HG2 LYS 31 7.155 -12.565 2.624 241 2HG LYS 31 HG1 LYS 31 5.700 -12.088 3.501 242 1HD LYS 31 HD2 LYS 31 5.061 -11.204 1.537 243 2HD LYS 31 HD1 LYS 31 6.157 -9.887 1.960 244 1HE LYS 31 HE2 LYS 31 6.788 -12.289 0.250 245 2HE LYS 31 HE1 LYS 31 6.603 -10.623 -0.297 246 1HZ LYS 31 HZ1 LYS 31 8.503 -10.216 1.421 247 2HZ LYS 31 HZ2 LYS 31 8.862 -10.785 -0.130 248 3HZ LYS 31 HZ3 LYS 31 8.818 -11.860 1.175 249 H ARG 32 HN ARG 32 8.040 -10.105 7.285 250 HA ARG 32 HA ARG 32 9.755 -9.173 8.450 251 1HB ARG 32 HB2 ARG 32 10.759 -11.638 7.586 252 2HB ARG 32 HB1 ARG 32 12.014 -10.476 7.183 253 1HG ARG 32 HG2 ARG 32 10.761 -10.606 9.907 254 2HG ARG 32 HG1 ARG 32 12.161 -11.581 9.454 255 1HD ARG 32 HD2 ARG 32 13.461 -9.616 9.008 256 2HD ARG 32 HD1 ARG 32 12.052 -8.578 9.226 257 HE ARG 32 HE ARG 32 12.254 -9.838 11.607 258 1HH1 ARG 32 HH11 ARG 32 14.542 -8.065 9.657 259 2HH1 ARG 32 HH12 ARG 32 15.459 -7.510 11.016 260 1HH2 ARG 32 HH21 ARG 32 13.460 -9.108 13.395 261 2HH2 ARG 32 HH22 ARG 32 14.846 -8.102 13.138 262 H ILE 33 HN ILE 33 8.819 -7.832 6.228 263 HA ILE 33 HA ILE 33 11.159 -6.836 4.799 264 HB ILE 33 HB ILE 33 8.277 -6.021 4.423 265 1HG1 ILE 33 HG12 ILE 33 9.886 -8.127 2.964 266 2HG1 ILE 33 HG11 ILE 33 8.517 -8.426 4.030 267 1HG2 ILE 33 HG21 ILE 33 10.777 -5.620 2.801 268 2HG2 ILE 33 HG22 ILE 33 9.717 -4.392 3.492 269 3HG2 ILE 33 HG23 ILE 33 9.157 -5.384 2.146 270 1HD1 ILE 33 HD11 ILE 33 7.950 -6.586 1.830 271 2HD1 ILE 33 HD12 ILE 33 7.025 -7.960 2.434 272 3HD1 ILE 33 HD13 ILE 33 8.375 -8.223 1.331 273 H GLN 34 HN GLN 34 11.468 -4.525 4.580 274 HA GLN 34 HA GLN 34 10.740 -3.077 7.041 275 1HB GLN 34 HB2 GLN 34 13.209 -2.889 5.312 276 2HB GLN 34 HB1 GLN 34 12.822 -1.722 6.569 277 1HG GLN 34 HG2 GLN 34 13.188 -4.671 7.037 278 2HG GLN 34 HG1 GLN 34 14.442 -3.453 7.269 279 1HE2 GLN 34 HE21 GLN 34 11.308 -4.570 8.373 280 2HE2 GLN 34 HE22 GLN 34 11.391 -3.851 9.941 281 H TYR 35 HN TYR 35 9.006 -3.128 4.851 282 HA TYR 35 HA TYR 35 9.299 -1.002 3.052 283 1HB TYR 35 HB2 TYR 35 7.001 -1.313 2.519 284 2HB TYR 35 HB1 TYR 35 7.634 -2.905 2.922 285 HD1 TYR 35 HD1 TYR 35 7.203 -3.777 5.302 286 HD2 TYR 35 HD2 TYR 35 5.116 -0.478 3.613 287 HE1 TYR 35 HE1 TYR 35 5.417 -4.061 6.968 288 HE2 TYR 35 HE2 TYR 35 3.325 -0.749 5.276 289 HH TYR 35 HH TYR 35 3.610 -2.403 8.031 290 H GLN 36 HN GLN 36 8.189 1.038 2.986 291 HA GLN 36 HA GLN 36 8.228 2.379 5.555 292 1HB GLN 36 HB2 GLN 36 9.062 3.165 3.112 293 2HB GLN 36 HB1 GLN 36 7.440 3.840 3.094 294 1HG GLN 36 HG2 GLN 36 9.216 5.401 3.864 295 2HG GLN 36 HG1 GLN 36 7.888 5.183 5.000 296 1HE2 GLN 36 HE21 GLN 36 9.321 5.990 6.616 297 2HE2 GLN 36 HE22 GLN 36 10.497 4.951 7.338 298 H LEU 37 HN LEU 37 6.417 4.171 5.744 299 HA LEU 37 HA LEU 37 3.829 3.147 4.894 300 1HB LEU 37 HB2 LEU 37 4.596 2.316 7.240 301 2HB LEU 37 HB1 LEU 37 4.183 3.938 7.755 302 HG LEU 37 HG LEU 37 1.905 3.370 6.524 303 1HD1 LEU 37 HD11 LEU 37 2.988 0.670 7.308 304 2HD1 LEU 37 HD12 LEU 37 2.564 1.210 5.684 305 3HD1 LEU 37 HD13 LEU 37 1.305 1.006 6.901 306 1HD2 LEU 37 HD21 LEU 37 0.960 2.928 8.627 307 2HD2 LEU 37 HD22 LEU 37 2.394 3.895 8.970 308 3HD2 LEU 37 HD23 LEU 37 2.428 2.149 9.218 309 H VAL 38 HN VAL 38 3.818 4.954 3.568 310 HA VAL 38 HA VAL 38 4.060 7.597 4.678 311 HB VAL 38 HB VAL 38 3.171 8.290 2.375 312 1HG1 VAL 38 HG11 VAL 38 5.333 7.953 1.334 313 2HG1 VAL 38 HG12 VAL 38 5.719 6.681 2.493 314 3HG1 VAL 38 HG13 VAL 38 5.539 8.348 3.040 315 1HG2 VAL 38 HG21 VAL 38 2.581 6.768 0.853 316 2HG2 VAL 38 HG22 VAL 38 2.538 5.610 2.183 317 3HG2 VAL 38 HG23 VAL 38 3.989 5.763 1.193 318 H ASP 39 HN ASP 39 2.466 7.356 6.324 319 HA ASP 39 HA ASP 39 -0.303 7.027 5.606 320 1HB ASP 39 HB2 ASP 39 0.734 8.094 8.231 321 2HB ASP 39 HB1 ASP 39 -0.779 7.248 7.925 322 H ILE 40 HN ILE 40 -1.470 8.552 4.683 323 HA ILE 40 HA ILE 40 -0.657 11.277 4.572 324 HB ILE 40 HB ILE 40 -2.784 11.669 3.398 325 1HG1 ILE 40 HG12 ILE 40 -3.331 8.727 3.832 326 2HG1 ILE 40 HG11 ILE 40 -4.097 10.010 4.765 327 1HG2 ILE 40 HG21 ILE 40 -1.495 11.056 1.690 328 2HG2 ILE 40 HG22 ILE 40 -2.266 9.473 1.792 329 3HG2 ILE 40 HG23 ILE 40 -0.740 9.766 2.625 330 1HD1 ILE 40 HD11 ILE 40 -5.648 10.209 3.208 331 2HD1 ILE 40 HD12 ILE 40 -4.875 8.930 2.271 332 3HD1 ILE 40 HD13 ILE 40 -4.415 10.614 2.015 333 H SER 41 HN SER 41 -2.621 9.465 6.748 334 HA SER 41 HA SER 41 -4.349 11.432 7.712 335 1HB SER 41 HB2 SER 41 -3.581 8.789 8.455 336 2HB SER 41 HB1 SER 41 -3.507 9.797 9.899 337 HG SER 41 HG SER 41 -5.680 10.542 9.164 338 H GLN 42 HN GLN 42 -0.951 10.970 8.183 339 HA GLN 42 HA GLN 42 -0.553 12.390 10.559 340 1HB GLN 42 HB2 GLN 42 1.160 11.002 9.408 341 2HB GLN 42 HB1 GLN 42 1.297 12.244 8.173 342 1HG GLN 42 HG2 GLN 42 2.472 13.645 9.508 343 2HG GLN 42 HG1 GLN 42 1.666 13.100 10.978 344 1HE2 GLN 42 HE21 GLN 42 4.335 12.678 8.859 345 2HE2 GLN 42 HE22 GLN 42 5.163 11.476 9.783 346 H ASP 43 HN ASP 43 0.140 13.605 7.280 347 HA ASP 43 HA ASP 43 -0.638 16.289 8.216 348 1HB ASP 43 HB2 ASP 43 1.634 15.345 6.541 349 2HB ASP 43 HB1 ASP 43 0.911 16.897 6.126 350 H ASN 44 HN ASN 44 -1.669 17.684 6.697 351 HA ASN 44 HA ASN 44 -3.577 16.329 5.056 352 1HB ASN 44 HB2 ASN 44 -3.646 18.661 6.394 353 2HB ASN 44 HB1 ASN 44 -3.243 19.266 4.790 354 1HD2 ASN 44 HD21 ASN 44 -4.615 18.093 3.026 355 2HD2 ASN 44 HD22 ASN 44 -6.313 18.065 3.344 356 H ALA 45 HN ALA 45 -0.478 17.730 4.512 357 HA ALA 45 HA ALA 45 -0.724 18.398 1.783 358 1HB ALA 45 HB1 ALA 45 1.899 17.420 2.710 359 2HB ALA 45 HB2 ALA 45 1.204 18.758 3.625 360 3HB ALA 45 HB3 ALA 45 1.470 18.920 1.889 361 H LEU 46 HN LEU 46 -0.078 15.374 3.430 362 HA LEU 46 HA LEU 46 0.819 13.926 1.167 363 1HB LEU 46 HB2 LEU 46 -0.409 13.081 3.783 364 2HB LEU 46 HB1 LEU 46 0.078 11.923 2.560 365 HG LEU 46 HG LEU 46 1.745 12.230 4.373 366 1HD1 LEU 46 HD11 LEU 46 3.631 12.923 2.609 367 2HD1 LEU 46 HD12 LEU 46 2.298 12.613 1.497 368 3HD1 LEU 46 HD13 LEU 46 2.837 11.348 2.601 369 1HD2 LEU 46 HD21 LEU 46 2.168 14.959 3.169 370 2HD2 LEU 46 HD22 LEU 46 3.030 14.245 4.533 371 3HD2 LEU 46 HD23 LEU 46 1.323 14.661 4.689 372 H ARG 47 HN ARG 47 -2.340 14.529 2.582 373 HA ARG 47 HA ARG 47 -3.846 12.728 1.052 374 1HB ARG 47 HB2 ARG 47 -4.350 14.853 2.901 375 2HB ARG 47 HB1 ARG 47 -5.410 15.056 1.513 376 1HG ARG 47 HG2 ARG 47 -6.603 13.192 1.975 377 2HG ARG 47 HG1 ARG 47 -5.214 12.332 2.641 378 1HD ARG 47 HD2 ARG 47 -5.411 14.127 4.542 379 2HD ARG 47 HD1 ARG 47 -7.069 14.262 3.958 380 HE ARG 47 HE ARG 47 -6.722 11.591 4.281 381 1HH1 ARG 47 HH11 ARG 47 -6.262 14.351 6.367 382 2HH1 ARG 47 HH12 ARG 47 -6.621 13.473 7.816 383 1HH2 ARG 47 HH21 ARG 47 -7.194 10.435 6.185 384 2HH2 ARG 47 HH22 ARG 47 -7.150 11.249 7.713 385 H ASP 48 HN ASP 48 -3.056 16.149 0.471 386 HA ASP 48 HA ASP 48 -4.298 16.058 -2.130 387 1HB ASP 48 HB2 ASP 48 -3.953 18.080 -0.352 388 2HB ASP 48 HB1 ASP 48 -2.625 18.387 -1.467 389 H GLU 49 HN GLU 49 -1.519 14.937 -1.023 390 HA GLU 49 HA GLU 49 0.072 15.651 -3.380 391 1HB GLU 49 HB2 GLU 49 1.222 15.932 -1.256 392 2HB GLU 49 HB1 GLU 49 0.860 14.271 -0.806 393 1HG GLU 49 HG2 GLU 49 2.173 14.076 -3.250 394 2HG GLU 49 HG1 GLU 49 3.042 15.328 -2.364 395 H MET 50 HN MET 50 -1.505 13.007 -1.754 396 HA MET 50 HA MET 50 -0.401 10.977 -3.482 397 1HB MET 50 HB2 MET 50 -1.307 10.803 -1.004 398 2HB MET 50 HB1 MET 50 -2.840 10.520 -1.818 399 1HG MET 50 HG2 MET 50 -0.443 8.943 -2.620 400 2HG MET 50 HG1 MET 50 -1.307 8.527 -1.141 401 1HE MET 50 HE1 MET 50 -4.597 8.713 -1.919 402 2HE MET 50 HE2 MET 50 -3.485 7.819 -0.882 403 3HE MET 50 HE3 MET 50 -4.458 6.963 -2.079 404 H ARG 51 HN ARG 51 -3.522 12.612 -3.078 405 HA ARG 51 HA ARG 51 -4.944 11.226 -5.046 406 1HB ARG 51 HB2 ARG 51 -5.267 13.703 -3.522 407 2HB ARG 51 HB1 ARG 51 -6.001 13.776 -5.118 408 1HG ARG 51 HG2 ARG 51 -7.755 12.936 -3.960 409 2HG ARG 51 HG1 ARG 51 -6.955 11.418 -4.376 410 1HD ARG 51 HD2 ARG 51 -5.799 11.477 -2.190 411 2HD ARG 51 HD1 ARG 51 -6.703 12.934 -1.781 412 HE ARG 51 HE ARG 51 -8.466 10.847 -2.519 413 1HH1 ARG 51 HH11 ARG 51 -6.401 11.895 0.092 414 2HH1 ARG 51 HH12 ARG 51 -7.327 11.090 1.314 415 1HH2 ARG 51 HH21 ARG 51 -9.685 9.788 -0.913 416 2HH2 ARG 51 HH22 ARG 51 -9.191 9.894 0.743 417 H ALA 52 HN ALA 52 -2.735 13.942 -5.267 418 HA ALA 52 HA ALA 52 -3.324 14.580 -7.986 419 1HB ALA 52 HB1 ALA 52 -0.882 15.633 -7.663 420 2HB ALA 52 HB2 ALA 52 -1.334 15.427 -5.971 421 3HB ALA 52 HB3 ALA 52 -2.348 16.392 -7.044 422 H LEU 53 HN LEU 53 -0.548 12.950 -6.446 423 HA LEU 53 HA LEU 53 0.662 12.189 -8.889 424 1HB LEU 53 HB2 LEU 53 2.138 10.845 -7.564 425 2HB LEU 53 HB1 LEU 53 1.853 12.356 -6.721 426 HG LEU 53 HG LEU 53 0.012 10.974 -5.463 427 1HD1 LEU 53 HD11 LEU 53 1.254 8.609 -5.197 428 2HD1 LEU 53 HD12 LEU 53 1.573 8.928 -6.902 429 3HD1 LEU 53 HD13 LEU 53 -0.087 8.886 -6.308 430 1HD2 LEU 53 HD21 LEU 53 2.143 11.996 -4.571 431 2HD2 LEU 53 HD22 LEU 53 2.901 10.425 -4.831 432 3HD2 LEU 53 HD23 LEU 53 1.548 10.577 -3.710 433 H ALA 54 HN ALA 54 -1.809 10.760 -6.901 434 HA ALA 54 HA ALA 54 -1.660 8.162 -8.122 435 1HB ALA 54 HB1 ALA 54 -3.667 7.663 -6.829 436 2HB ALA 54 HB2 ALA 54 -3.814 9.365 -6.389 437 3HB ALA 54 HB3 ALA 54 -2.435 8.423 -5.821 438 H GLY 55 HN GLY 55 -3.135 11.156 -8.922 439 1HA GLY 55 HA2 GLY 55 -4.529 11.776 -10.637 440 2HA GLY 55 HA1 GLY 55 -4.030 10.287 -11.427 441 H ASN 56 HN ASN 56 -5.873 10.869 -8.447 442 HA ASN 56 HA ASN 56 -8.408 10.270 -9.452 443 1HB ASN 56 HB2 ASN 56 -7.409 8.017 -9.838 444 2HB ASN 56 HB1 ASN 56 -7.082 7.901 -8.113 445 1HD2 ASN 56 HD21 ASN 56 -8.545 6.902 -6.943 446 2HD2 ASN 56 HD22 ASN 56 -10.205 6.673 -7.365 447 HA PRO 57 HA PRO 57 -8.772 11.857 -5.348 448 1HB PRO 57 HB2 PRO 57 -11.215 13.050 -6.089 449 2HB PRO 57 HB1 PRO 57 -9.635 13.817 -6.024 450 1HG PRO 57 HG2 PRO 57 -11.147 13.379 -8.316 451 2HG PRO 57 HG1 PRO 57 -9.415 13.752 -8.272 452 1HD PRO 57 HD2 PRO 57 -10.784 11.119 -8.566 453 2HD PRO 57 HD1 PRO 57 -9.283 11.712 -9.313 454 H LYS 58 HN LYS 58 -9.881 9.194 -6.335 455 HA LYS 58 HA LYS 58 -12.018 8.986 -4.330 456 1HB LYS 58 HB2 LYS 58 -12.345 8.645 -7.084 457 2HB LYS 58 HB1 LYS 58 -12.273 7.010 -6.439 458 1HG LYS 58 HG2 LYS 58 -13.957 8.385 -4.702 459 2HG LYS 58 HG1 LYS 58 -14.401 8.951 -6.313 460 1HD LYS 58 HD2 LYS 58 -14.804 6.716 -7.063 461 2HD LYS 58 HD1 LYS 58 -14.124 6.040 -5.582 462 1HE LYS 58 HE2 LYS 58 -16.517 5.919 -5.450 463 2HE LYS 58 HE1 LYS 58 -15.951 7.136 -4.307 464 1HZ LYS 58 HZ1 LYS 58 -17.922 7.809 -5.627 465 2HZ LYS 58 HZ2 LYS 58 -16.968 7.768 -7.023 466 3HZ LYS 58 HZ3 LYS 58 -16.609 8.864 -5.786 467 H ALA 59 HN ALA 59 -8.957 8.138 -5.065 468 HA ALA 59 HA ALA 59 -8.798 5.378 -4.701 469 1HB ALA 59 HB1 ALA 59 -7.002 7.341 -5.187 470 2HB ALA 59 HB2 ALA 59 -6.569 5.691 -4.736 471 3HB ALA 59 HB3 ALA 59 -6.622 6.956 -3.508 472 H THR 60 HN THR 60 -7.081 4.994 -2.528 473 HA THR 60 HA THR 60 -8.605 5.768 -0.158 474 HB THR 60 HB THR 60 -8.703 3.451 0.649 475 HG1 THR 60 HG1 THR 60 -8.182 1.770 -0.802 476 1HG2 THR 60 HG21 THR 60 -10.473 4.481 -1.001 477 2HG2 THR 60 HG22 THR 60 -10.560 2.798 -0.481 478 3HG2 THR 60 HG23 THR 60 -9.881 3.199 -2.058 479 HA PRO 61 HA PRO 61 -4.823 6.208 2.025 480 1HB PRO 61 HB2 PRO 61 -5.745 4.091 3.914 481 2HB PRO 61 HB1 PRO 61 -5.131 5.712 4.252 482 1HG PRO 61 HG2 PRO 61 -7.737 5.186 4.408 483 2HG PRO 61 HG1 PRO 61 -7.153 6.728 3.755 484 1HD PRO 61 HD2 PRO 61 -8.283 4.371 2.328 485 2HD PRO 61 HD1 PRO 61 -8.410 6.097 1.938 486 HA PRO 62 HA PRO 62 -3.091 1.691 2.072 487 1HB PRO 62 HB2 PRO 62 -4.644 -0.266 1.001 488 2HB PRO 62 HB1 PRO 62 -4.659 0.148 2.719 489 1HG PRO 62 HG2 PRO 62 -6.556 0.968 0.556 490 2HG PRO 62 HG1 PRO 62 -6.907 0.443 2.213 491 1HD PRO 62 HD2 PRO 62 -6.913 3.044 1.485 492 2HD PRO 62 HD1 PRO 62 -6.422 2.513 3.105 493 H GLN 63 HN GLN 63 -1.844 2.708 0.467 494 HA GLN 63 HA GLN 63 -2.226 1.584 -2.204 495 1HB GLN 63 HB2 GLN 63 -1.782 4.529 -1.671 496 2HB GLN 63 HB1 GLN 63 -1.711 3.771 -3.256 497 1HG GLN 63 HG2 GLN 63 -4.165 3.561 -1.561 498 2HG GLN 63 HG1 GLN 63 -3.862 4.986 -2.552 499 1HE2 GLN 63 HE21 GLN 63 -6.061 3.314 -2.898 500 2HE2 GLN 63 HE22 GLN 63 -5.925 2.530 -4.432 501 H ILE 64 HN ILE 64 -0.417 0.493 -2.580 502 HA ILE 64 HA ILE 64 2.063 1.255 -1.291 503 HB ILE 64 HB ILE 64 1.660 -1.017 -3.225 504 1HG1 ILE 64 HG12 ILE 64 1.660 -2.171 -0.751 505 2HG1 ILE 64 HG11 ILE 64 0.767 -0.687 -0.435 506 1HG2 ILE 64 HG21 ILE 64 3.816 -0.132 -1.408 507 2HG2 ILE 64 HG22 ILE 64 3.909 -0.955 -2.964 508 3HG2 ILE 64 HG23 ILE 64 3.518 -1.867 -1.506 509 1HD1 ILE 64 HD11 ILE 64 0.014 -3.055 -2.004 510 2HD1 ILE 64 HD12 ILE 64 -0.465 -1.497 -2.676 511 3HD1 ILE 64 HD13 ILE 64 -0.980 -1.954 -1.052 512 H VAL 65 HN VAL 65 3.803 2.147 -2.223 513 HA VAL 65 HA VAL 65 3.714 2.636 -5.128 514 HB VAL 65 HB VAL 65 4.745 4.534 -3.016 515 1HG1 VAL 65 HG11 VAL 65 5.738 5.728 -4.613 516 2HG1 VAL 65 HG12 VAL 65 4.334 5.616 -5.674 517 3HG1 VAL 65 HG13 VAL 65 5.533 4.324 -5.658 518 1HG2 VAL 65 HG21 VAL 65 2.864 5.981 -3.845 519 2HG2 VAL 65 HG22 VAL 65 2.370 4.553 -2.936 520 3HG2 VAL 65 HG23 VAL 65 2.248 4.565 -4.695 521 H ASN 66 HN ASN 66 5.555 2.275 -6.246 522 HA ASN 66 HA ASN 66 7.752 1.018 -4.795 523 1HB ASN 66 HB2 ASN 66 6.774 -0.167 -6.729 524 2HB ASN 66 HB1 ASN 66 7.233 1.175 -7.773 525 1HD2 ASN 66 HD21 ASN 66 8.862 -0.675 -5.218 526 2HD2 ASN 66 HD22 ASN 66 10.259 -1.063 -6.157 527 H GLY 67 HN GLY 67 8.209 3.307 -3.996 528 1HA GLY 67 HA2 GLY 67 10.098 4.717 -3.975 529 2HA GLY 67 HA1 GLY 67 10.334 4.393 -5.685 530 H ASP 68 HN ASP 68 8.309 5.172 -7.025 531 HA ASP 68 HA ASP 68 7.025 7.538 -6.041 532 1HB ASP 68 HB2 ASP 68 9.358 8.323 -6.590 533 2HB ASP 68 HB1 ASP 68 9.031 7.910 -8.271 534 H GLN 69 HN GLN 69 6.346 4.974 -7.316 535 HA GLN 69 HA GLN 69 4.891 6.060 -9.629 536 1HB GLN 69 HB2 GLN 69 6.606 3.673 -9.433 537 2HB GLN 69 HB1 GLN 69 5.067 3.418 -10.232 538 1HG GLN 69 HG2 GLN 69 6.158 4.075 -12.065 539 2HG GLN 69 HG1 GLN 69 5.897 5.699 -11.431 540 1HE2 GLN 69 HE21 GLN 69 7.611 6.925 -11.018 541 2HE2 GLN 69 HE22 GLN 69 9.251 6.382 -11.007 542 H TYR 70 HN TYR 70 2.854 5.085 -10.047 543 HA TYR 70 HA TYR 70 1.491 4.321 -7.611 544 1HB TYR 70 HB2 TYR 70 0.576 5.961 -9.320 545 2HB TYR 70 HB1 TYR 70 0.291 4.576 -10.367 546 HD1 TYR 70 HD1 TYR 70 -2.035 4.428 -10.497 547 HD2 TYR 70 HD2 TYR 70 -0.192 4.858 -6.687 548 HE1 TYR 70 HE1 TYR 70 -4.208 4.053 -9.410 549 HE2 TYR 70 HE2 TYR 70 -2.360 4.484 -5.589 550 HH TYR 70 HH TYR 70 -4.536 3.361 -6.146 551 H CYS 71 HN CYS 71 2.088 2.242 -7.110 552 HA CYS 71 HA CYS 71 2.050 0.164 -9.103 553 1HB CYS 71 HB2 CYS 71 2.729 0.356 -6.218 554 2HB CYS 71 HB1 CYS 71 2.230 -1.223 -6.812 555 HG CYS 71 HG CYS 71 4.891 0.126 -7.366 556 H GLY 72 HN GLY 72 0.512 -0.300 -5.953 557 1HA GLY 72 HA2 GLY 72 -2.131 -0.414 -7.147 558 2HA GLY 72 HA1 GLY 72 -1.477 -1.956 -6.623 559 H ASP 73 HN ASP 73 -3.639 -1.586 -5.400 560 HA ASP 73 HA ASP 73 -3.001 -0.344 -2.805 561 1HB ASP 73 HB2 ASP 73 -5.350 0.170 -2.522 562 2HB ASP 73 HB1 ASP 73 -4.812 0.816 -4.068 563 H TYR 74 HN TYR 74 -5.219 -1.389 -1.413 564 HA TYR 74 HA TYR 74 -4.275 -3.773 -0.427 565 1HB TYR 74 HB2 TYR 74 -5.937 -2.495 0.773 566 2HB TYR 74 HB1 TYR 74 -7.119 -2.749 -0.506 567 HD1 TYR 74 HD1 TYR 74 -5.770 -4.002 2.561 568 HD2 TYR 74 HD2 TYR 74 -7.914 -5.138 -0.933 569 HE1 TYR 74 HE1 TYR 74 -6.579 -6.014 3.719 570 HE2 TYR 74 HE2 TYR 74 -8.730 -7.153 0.215 571 HH TYR 74 HH TYR 74 -7.502 -8.531 2.608 572 H GLU 75 HN GLU 75 -6.634 -3.284 -3.025 573 HA GLU 75 HA GLU 75 -7.299 -5.983 -3.409 574 1HB GLU 75 HB2 GLU 75 -8.108 -3.553 -4.425 575 2HB GLU 75 HB1 GLU 75 -7.352 -4.320 -5.810 576 1HG GLU 75 HG2 GLU 75 -9.054 -6.174 -4.426 577 2HG GLU 75 HG1 GLU 75 -9.933 -4.706 -4.844 578 H LEU 76 HN LEU 76 -5.012 -3.897 -5.181 579 HA LEU 76 HA LEU 76 -4.066 -5.721 -7.005 580 1HB LEU 76 HB2 LEU 76 -3.557 -3.173 -6.582 581 2HB LEU 76 HB1 LEU 76 -2.168 -3.807 -5.720 582 HG LEU 76 HG LEU 76 -1.335 -3.381 -7.850 583 1HD1 LEU 76 HD11 LEU 76 -0.687 -5.575 -7.178 584 2HD1 LEU 76 HD12 LEU 76 -1.016 -5.603 -8.911 585 3HD1 LEU 76 HD13 LEU 76 -2.198 -6.258 -7.776 586 1HD2 LEU 76 HD21 LEU 76 -2.734 -4.498 -9.837 587 2HD2 LEU 76 HD22 LEU 76 -2.993 -2.842 -9.287 588 3HD2 LEU 76 HD23 LEU 76 -4.053 -4.135 -8.724 589 H PHE 77 HN PHE 77 -2.304 -4.841 -4.030 590 HA PHE 77 HA PHE 77 -0.384 -6.783 -4.067 591 1HB PHE 77 HB2 PHE 77 -0.500 -4.929 -2.431 592 2HB PHE 77 HB1 PHE 77 -1.799 -5.770 -1.594 593 HD1 PHE 77 HD1 PHE 77 1.687 -5.263 -1.775 594 HD2 PHE 77 HD2 PHE 77 -1.252 -8.173 -0.771 595 HE1 PHE 77 HE1 PHE 77 3.348 -6.467 -0.419 596 HE2 PHE 77 HE2 PHE 77 0.405 -9.382 0.587 597 HZ PHE 77 HZ PHE 77 2.708 -8.529 0.764 598 H VAL 78 HN VAL 78 -3.490 -7.069 -2.327 599 HA VAL 78 HA VAL 78 -3.137 -9.753 -1.569 600 HB VAL 78 HB VAL 78 -5.771 -8.342 -2.006 601 1HG1 VAL 78 HG11 VAL 78 -4.967 -10.910 -0.796 602 2HG1 VAL 78 HG12 VAL 78 -6.481 -10.442 -1.569 603 3HG1 VAL 78 HG13 VAL 78 -6.159 -9.967 0.099 604 1HG2 VAL 78 HG21 VAL 78 -5.525 -7.201 -0.080 605 2HG2 VAL 78 HG22 VAL 78 -3.803 -7.427 -0.385 606 3HG2 VAL 78 HG23 VAL 78 -4.655 -8.516 0.709 607 H GLU 79 HN GLU 79 -4.525 -8.302 -4.459 608 HA GLU 79 HA GLU 79 -5.661 -10.701 -5.481 609 1HB GLU 79 HB2 GLU 79 -6.435 -8.497 -6.203 610 2HB GLU 79 HB1 GLU 79 -4.864 -8.169 -6.922 611 1HG GLU 79 HG2 GLU 79 -5.414 -9.212 -8.796 612 2HG GLU 79 HG1 GLU 79 -5.959 -10.641 -7.919 613 H ALA 80 HN ALA 80 -2.453 -9.731 -5.174 614 HA ALA 80 HA ALA 80 -1.551 -11.160 -7.553 615 1HB ALA 80 HB1 ALA 80 0.564 -10.202 -7.194 616 2HB ALA 80 HB2 ALA 80 0.204 -9.837 -5.507 617 3HB ALA 80 HB3 ALA 80 -0.592 -8.933 -6.794 618 H VAL 81 HN VAL 81 -0.724 -11.208 -4.072 619 HA VAL 81 HA VAL 81 0.766 -13.527 -4.033 620 HB VAL 81 HB VAL 81 -1.144 -12.686 -1.849 621 1HG1 VAL 81 HG11 VAL 81 1.116 -14.603 -2.019 622 2HG1 VAL 81 HG12 VAL 81 -0.390 -14.705 -1.107 623 3HG1 VAL 81 HG13 VAL 81 0.925 -13.680 -0.529 624 1HG2 VAL 81 HG21 VAL 81 1.696 -11.917 -1.693 625 2HG2 VAL 81 HG22 VAL 81 0.251 -11.035 -1.201 626 3HG2 VAL 81 HG23 VAL 81 0.735 -11.059 -2.896 627 H GLU 82 HN GLU 82 -2.686 -13.162 -4.213 628 HA GLU 82 HA GLU 82 -3.532 -15.697 -3.422 629 1HB GLU 82 HB2 GLU 82 -5.481 -15.200 -5.026 630 2HB GLU 82 HB1 GLU 82 -5.215 -14.101 -3.679 631 1HG GLU 82 HG2 GLU 82 -5.003 -12.395 -5.059 632 2HG GLU 82 HG1 GLU 82 -3.696 -13.202 -5.923 633 H GLN 83 HN GLN 83 -2.663 -14.538 -6.673 634 HA GLN 83 HA GLN 83 -2.806 -17.291 -7.667 635 1HB GLN 83 HB2 GLN 83 -3.697 -14.944 -8.764 636 2HB GLN 83 HB1 GLN 83 -2.150 -15.148 -9.571 637 1HG GLN 83 HG2 GLN 83 -4.134 -17.385 -9.441 638 2HG GLN 83 HG1 GLN 83 -4.250 -16.125 -10.669 639 1HE2 GLN 83 HE21 GLN 83 -3.032 -16.286 -12.440 640 2HE2 GLN 83 HE22 GLN 83 -1.792 -17.462 -12.692 641 H ASN 84 HN ASN 84 -0.607 -15.635 -6.113 642 HA ASN 84 HA ASN 84 1.626 -15.885 -5.866 643 1HB ASN 84 HB2 ASN 84 1.066 -18.186 -7.095 644 2HB ASN 84 HB1 ASN 84 1.971 -17.422 -8.399 645 1HD2 ASN 84 HD21 ASN 84 3.343 -19.344 -7.919 646 2HD2 ASN 84 HD22 ASN 84 4.587 -19.156 -6.734 647 H THR 85 HN THR 85 0.141 -13.972 -7.665 648 HA THR 85 HA THR 85 2.096 -13.233 -9.646 649 HB THR 85 HB THR 85 -0.062 -11.334 -8.943 650 HG1 THR 85 HG1 THR 85 -0.564 -13.946 -9.901 651 1HG2 THR 85 HG21 THR 85 0.346 -10.658 -11.000 652 2HG2 THR 85 HG22 THR 85 -0.205 -12.217 -11.614 653 3HG2 THR 85 HG23 THR 85 1.498 -11.974 -11.227 654 H LEU 86 HN LEU 86 1.530 -12.618 -6.353 655 HA LEU 86 HA LEU 86 2.123 -10.141 -5.660 656 1HB LEU 86 HB2 LEU 86 2.026 -11.961 -4.060 657 2HB LEU 86 HB1 LEU 86 3.571 -12.571 -4.621 658 HG LEU 86 HG LEU 86 4.581 -10.379 -3.865 659 1HD1 LEU 86 HD11 LEU 86 2.489 -9.905 -1.911 660 2HD1 LEU 86 HD12 LEU 86 1.942 -9.625 -3.564 661 3HD1 LEU 86 HD13 LEU 86 3.352 -8.767 -2.945 662 1HD2 LEU 86 HD21 LEU 86 3.533 -12.556 -2.167 663 2HD2 LEU 86 HD22 LEU 86 4.119 -11.117 -1.333 664 3HD2 LEU 86 HD23 LEU 86 5.189 -12.005 -2.417 665 H GLN 87 HN GLN 87 4.511 -12.297 -7.140 666 HA GLN 87 HA GLN 87 6.812 -10.804 -6.782 667 1HB GLN 87 HB2 GLN 87 6.974 -12.972 -7.782 668 2HB GLN 87 HB1 GLN 87 5.949 -12.495 -9.129 669 1HG GLN 87 HG2 GLN 87 7.633 -11.122 -10.053 670 2HG GLN 87 HG1 GLN 87 8.608 -11.213 -8.589 671 1HE2 GLN 87 HE21 GLN 87 8.225 -12.388 -11.655 672 2HE2 GLN 87 HE22 GLN 87 9.159 -13.836 -11.521 673 H GLU 88 HN GLU 88 4.509 -10.601 -9.491 674 HA GLU 88 HA GLU 88 5.649 -8.588 -10.965 675 1HB GLU 88 HB2 GLU 88 2.954 -9.663 -10.611 676 2HB GLU 88 HB1 GLU 88 2.956 -7.972 -11.092 677 1HG GLU 88 HG2 GLU 88 3.128 -8.727 -13.172 678 2HG GLU 88 HG1 GLU 88 4.811 -9.076 -12.779 679 H PHE 89 HN PHE 89 4.201 -8.374 -7.842 680 HA PHE 89 HA PHE 89 4.115 -5.452 -7.952 681 1HB PHE 89 HB2 PHE 89 2.238 -7.017 -7.003 682 2HB PHE 89 HB1 PHE 89 3.266 -7.071 -5.576 683 HD1 PHE 89 HD1 PHE 89 1.254 -4.890 -7.744 684 HD2 PHE 89 HD2 PHE 89 3.448 -5.211 -4.112 685 HE1 PHE 89 HE1 PHE 89 0.288 -2.764 -6.975 686 HE2 PHE 89 HE2 PHE 89 2.485 -3.085 -3.337 687 HZ PHE 89 HZ PHE 89 0.899 -1.859 -4.772 688 H LEU 90 HN LEU 90 5.911 -8.100 -6.600 689 HA LEU 90 HA LEU 90 7.347 -6.303 -4.788 690 1HB LEU 90 HB2 LEU 90 6.830 -9.198 -4.883 691 2HB LEU 90 HB1 LEU 90 8.436 -8.749 -4.342 692 HG LEU 90 HG LEU 90 6.782 -9.076 -2.502 693 1HD1 LEU 90 HD11 LEU 90 7.495 -6.221 -2.318 694 2HD1 LEU 90 HD12 LEU 90 8.819 -7.333 -2.667 695 3HD1 LEU 90 HD13 LEU 90 7.840 -7.555 -1.217 696 1HD2 LEU 90 HD21 LEU 90 4.929 -7.756 -2.219 697 2HD2 LEU 90 HD22 LEU 90 4.970 -7.877 -3.978 698 3HD2 LEU 90 HD23 LEU 90 5.589 -6.431 -3.179 699 H LYS 91 HN LYS 91 8.287 -8.975 -6.985 700 HA LYS 91 HA LYS 91 10.857 -7.633 -7.387 701 1HB LYS 91 HB2 LYS 91 10.269 -10.294 -8.595 702 2HB LYS 91 HB1 LYS 91 11.775 -9.668 -7.944 703 1HG LYS 91 HG2 LYS 91 11.073 -10.052 -5.712 704 2HG LYS 91 HG1 LYS 91 9.418 -10.388 -6.222 705 1HD LYS 91 HD2 LYS 91 10.034 -12.542 -6.145 706 2HD LYS 91 HD1 LYS 91 10.844 -12.210 -7.678 707 1HE LYS 91 HE2 LYS 91 12.749 -12.818 -6.705 708 2HE LYS 91 HE1 LYS 91 12.636 -11.361 -5.719 709 1HZ LYS 91 HZ1 LYS 91 11.208 -12.760 -4.182 710 2HZ LYS 91 HZ2 LYS 91 12.862 -13.109 -4.209 711 3HZ LYS 91 HZ3 LYS 91 11.775 -14.107 -5.035 712 H LEU 92 HN LEU 92 7.893 -7.728 -8.883 713 HA LEU 92 HA LEU 92 7.120 -7.281 -10.980 714 1HB LEU 92 HB2 LEU 92 9.657 -5.780 -11.496 715 2HB LEU 92 HB1 LEU 92 8.023 -5.386 -11.990 716 HG LEU 92 HG LEU 92 8.529 -3.795 -10.358 717 1HD1 LEU 92 HD11 LEU 92 7.209 -4.519 -8.308 718 2HD1 LEU 92 HD12 LEU 92 6.979 -6.058 -9.137 719 3HD1 LEU 92 HD13 LEU 92 6.375 -4.568 -9.861 720 1HD2 LEU 92 HD21 LEU 92 10.507 -5.397 -9.563 721 2HD2 LEU 92 HD22 LEU 92 9.367 -5.687 -8.249 722 3HD2 LEU 92 HD23 LEU 92 9.919 -4.047 -8.590 723 H ALA 93 HN ALA 93 8.883 -9.657 -10.681 724 HA ALA 93 HA ALA 93 9.959 -11.216 -11.954 725 1HB ALA 93 HB1 ALA 93 7.692 -11.033 -13.032 726 2HB ALA 93 HB2 ALA 93 8.973 -11.675 -14.061 727 3HB ALA 93 HB3 ALA 93 8.442 -10.004 -14.252 728 H LEU 94 HN LEU 94 11.266 -8.589 -11.674 729 HA LEU 94 HA LEU 94 12.541 -7.991 -14.170 730 1HB LEU 94 HB2 LEU 94 12.695 -7.012 -11.382 731 2HB LEU 94 HB1 LEU 94 14.142 -6.809 -12.350 732 HG LEU 94 HG LEU 94 11.508 -5.890 -13.431 733 1HD1 LEU 94 HD11 LEU 94 11.282 -4.624 -11.574 734 2HD1 LEU 94 HD12 LEU 94 12.464 -3.609 -12.401 735 3HD1 LEU 94 HD13 LEU 94 12.990 -4.739 -11.153 736 1HD2 LEU 94 HD21 LEU 94 14.377 -5.037 -13.778 737 2HD2 LEU 94 HD22 LEU 94 12.998 -4.203 -14.494 738 3HD2 LEU 94 HD23 LEU 94 13.358 -5.867 -14.954 739 H GLU 95 HN GLU 95 13.350 -10.080 -14.750 740 HA GLU 95 HA GLU 95 15.272 -11.430 -13.124 741 1HB GLU 95 HB2 GLU 95 14.144 -11.771 -15.851 742 2HB GLU 95 HB1 GLU 95 15.715 -12.499 -15.544 743 1HG GLU 95 HG2 GLU 95 14.834 -13.829 -13.772 744 2HG GLU 95 HG1 GLU 95 13.291 -12.978 -13.831 Start of MODEL 19 1 1H MET 1 HT1 MET 1 18.803 -4.390 0.202 2 2H MET 1 HT2 MET 1 17.157 -4.091 0.586 3 3H MET 1 HT3 MET 1 17.963 -3.110 -0.568 4 HA MET 1 HA MET 1 18.319 -5.202 -1.863 5 1HB MET 1 HB2 MET 1 16.590 -6.071 0.387 6 2HB MET 1 HB1 MET 1 16.169 -6.692 -1.203 7 1HG MET 1 HG2 MET 1 17.580 -8.295 -0.233 8 2HG MET 1 HG1 MET 1 18.566 -7.437 -1.416 9 1HE MET 1 HE1 MET 1 17.646 -8.315 1.938 10 2HE MET 1 HE2 MET 1 18.041 -6.864 2.860 11 3HE MET 1 HE3 MET 1 19.164 -8.225 2.832 12 H SER 2 HN SER 2 15.078 -4.467 -0.568 13 HA SER 2 HA SER 2 14.421 -3.178 -3.127 14 1HB SER 2 HB2 SER 2 12.042 -4.274 -2.583 15 2HB SER 2 HB1 SER 2 13.266 -5.116 -3.534 16 HG SER 2 HG SER 2 13.054 -5.377 -0.723 17 H GLY 3 HN GLY 3 12.763 -1.594 -3.032 18 1HA GLY 3 HA2 GLY 3 11.856 -0.809 -0.355 19 2HA GLY 3 HA1 GLY 3 12.775 0.358 -1.294 20 H LEU 4 HN LEU 4 9.963 0.359 -0.293 21 HA LEU 4 HA LEU 4 8.771 1.421 -2.680 22 1HB LEU 4 HB2 LEU 4 6.676 -0.062 -2.287 23 2HB LEU 4 HB1 LEU 4 8.017 -0.684 -3.229 24 HG LEU 4 HG LEU 4 8.448 -1.378 -0.491 25 1HD1 LEU 4 HD11 LEU 4 5.941 -2.678 -1.377 26 2HD1 LEU 4 HD12 LEU 4 5.816 -1.049 -0.713 27 3HD1 LEU 4 HD13 LEU 4 6.534 -2.341 0.249 28 1HD2 LEU 4 HD21 LEU 4 9.433 -2.847 -1.899 29 2HD2 LEU 4 HD22 LEU 4 8.172 -2.691 -3.122 30 3HD2 LEU 4 HD23 LEU 4 7.906 -3.707 -1.704 31 H ARG 5 HN ARG 5 7.167 2.883 -2.235 32 HA ARG 5 HA ARG 5 6.778 3.480 0.601 33 1HB ARG 5 HB2 ARG 5 6.022 5.681 -0.151 34 2HB ARG 5 HB1 ARG 5 7.604 5.297 -0.812 35 1HG ARG 5 HG2 ARG 5 6.155 4.440 -2.845 36 2HG ARG 5 HG1 ARG 5 4.989 5.585 -2.180 37 1HD ARG 5 HD2 ARG 5 7.835 6.395 -2.632 38 2HD ARG 5 HD1 ARG 5 6.682 6.393 -3.966 39 HE ARG 5 HE ARG 5 5.525 7.784 -1.849 40 1HH1 ARG 5 HH11 ARG 5 8.241 8.108 -4.016 41 2HH1 ARG 5 HH12 ARG 5 8.231 9.839 -3.968 42 1HH2 ARG 5 HH21 ARG 5 5.512 10.060 -1.784 43 2HH2 ARG 5 HH22 ARG 5 6.683 10.948 -2.701 44 H VAL 6 HN VAL 6 5.161 2.152 1.289 45 HA VAL 6 HA VAL 6 2.699 1.928 -0.238 46 HB VAL 6 HB VAL 6 3.345 0.771 2.479 47 1HG1 VAL 6 HG11 VAL 6 0.903 1.019 1.321 48 2HG1 VAL 6 HG12 VAL 6 1.347 -0.258 2.453 49 3HG1 VAL 6 HG13 VAL 6 1.409 -0.558 0.716 50 1HG2 VAL 6 HG21 VAL 6 3.896 -1.288 1.350 51 2HG2 VAL 6 HG22 VAL 6 4.905 0.011 0.711 52 3HG2 VAL 6 HG23 VAL 6 3.522 -0.570 -0.217 53 H TYR 7 HN TYR 7 1.046 3.274 0.008 54 HA TYR 7 HA TYR 7 1.060 5.240 2.109 55 1HB TYR 7 HB2 TYR 7 -0.628 4.719 -0.306 56 2HB TYR 7 HB1 TYR 7 -1.240 5.787 0.952 57 HD1 TYR 7 HD1 TYR 7 1.001 5.462 -1.852 58 HD2 TYR 7 HD2 TYR 7 0.080 7.844 1.550 59 HE1 TYR 7 HE1 TYR 7 2.296 7.320 -2.810 60 HE2 TYR 7 HE2 TYR 7 1.370 9.709 0.601 61 HH TYR 7 HH TYR 7 2.218 9.966 -2.508 62 H SER 8 HN SER 8 -0.367 5.468 3.787 63 HA SER 8 HA SER 8 -2.583 3.671 4.146 64 1HB SER 8 HB2 SER 8 -1.371 3.110 6.525 65 2HB SER 8 HB1 SER 8 -1.341 2.043 5.121 66 HG SER 8 HG SER 8 0.652 2.975 4.540 67 H THR 9 HN THR 9 -3.364 3.952 6.587 68 HA THR 9 HA THR 9 -3.109 6.804 7.274 69 HB THR 9 HB THR 9 -5.251 6.408 6.145 70 HG1 THR 9 HG1 THR 9 -5.477 6.852 8.936 71 1HG2 THR 9 HG21 THR 9 -5.413 3.982 6.979 72 2HG2 THR 9 HG22 THR 9 -6.889 4.938 6.846 73 3HG2 THR 9 HG23 THR 9 -6.137 4.691 8.422 74 H SER 10 HN SER 10 -1.932 6.756 9.096 75 HA SER 10 HA SER 10 -1.846 4.699 10.977 76 1HB SER 10 HB2 SER 10 -1.083 7.594 11.017 77 2HB SER 10 HB1 SER 10 -1.066 6.684 12.527 78 HG SER 10 HG SER 10 0.526 6.393 10.247 79 H VAL 11 HN VAL 11 -3.589 7.804 11.182 80 HA VAL 11 HA VAL 11 -5.047 6.933 13.516 81 HB VAL 11 HB VAL 11 -5.535 9.401 11.846 82 1HG1 VAL 11 HG11 VAL 11 -6.541 10.284 13.886 83 2HG1 VAL 11 HG12 VAL 11 -6.215 8.762 14.715 84 3HG1 VAL 11 HG13 VAL 11 -7.353 8.807 13.368 85 1HG2 VAL 11 HG21 VAL 11 -4.204 10.310 14.009 86 2HG2 VAL 11 HG22 VAL 11 -3.431 9.928 12.470 87 3HG2 VAL 11 HG23 VAL 11 -3.412 8.751 13.783 88 H THR 12 HN THR 12 -6.156 5.100 12.714 89 HA THR 12 HA THR 12 -7.768 4.994 10.453 90 HB THR 12 HB THR 12 -8.975 3.156 11.649 91 HG1 THR 12 HG1 THR 12 -8.841 3.986 13.756 92 1HG2 THR 12 HG21 THR 12 -5.975 3.132 11.739 93 2HG2 THR 12 HG22 THR 12 -7.031 2.473 10.489 94 3HG2 THR 12 HG23 THR 12 -6.973 1.720 12.083 95 H GLY 13 HN GLY 13 -9.735 5.738 9.932 96 1HA GLY 13 HA2 GLY 13 -11.310 7.031 12.074 97 2HA GLY 13 HA1 GLY 13 -11.159 7.711 10.461 98 H SER 14 HN SER 14 -11.442 5.294 8.999 99 HA SER 14 HA SER 14 -14.318 5.035 9.128 100 1HB SER 14 HB2 SER 14 -12.187 4.322 7.182 101 2HB SER 14 HB1 SER 14 -13.655 3.345 7.149 102 HG SER 14 HG SER 14 -14.841 5.137 6.684 103 H ARG 15 HN ARG 15 -15.047 2.619 8.518 104 HA ARG 15 HA ARG 15 -13.931 0.910 10.617 105 1HB ARG 15 HB2 ARG 15 -16.334 1.764 10.832 106 2HB ARG 15 HB1 ARG 15 -16.701 0.663 9.511 107 1HG ARG 15 HG2 ARG 15 -16.510 -1.183 10.809 108 2HG ARG 15 HG1 ARG 15 -15.257 -0.471 11.829 109 1HD ARG 15 HD2 ARG 15 -17.108 -0.625 13.240 110 2HD ARG 15 HD1 ARG 15 -17.117 1.057 12.710 111 HE ARG 15 HE ARG 15 -18.728 -0.682 11.083 112 1HH1 ARG 15 HH11 ARG 15 -18.662 1.309 13.949 113 2HH1 ARG 15 HH12 ARG 15 -20.375 1.557 13.968 114 1HH2 ARG 15 HH21 ARG 15 -20.983 -0.356 11.107 115 2HH2 ARG 15 HH22 ARG 15 -21.693 0.611 12.355 116 H GLU 16 HN GLU 16 -14.393 1.231 7.381 117 HA GLU 16 HA GLU 16 -14.170 -1.635 6.824 118 1HB GLU 16 HB2 GLU 16 -14.943 0.737 5.151 119 2HB GLU 16 HB1 GLU 16 -14.434 -0.764 4.390 120 1HG GLU 16 HG2 GLU 16 -16.234 -1.964 5.448 121 2HG GLU 16 HG1 GLU 16 -16.703 -0.525 6.353 122 H ILE 17 HN ILE 17 -12.512 1.425 6.433 123 HA ILE 17 HA ILE 17 -10.414 0.508 4.773 124 HB ILE 17 HB ILE 17 -10.364 2.808 6.731 125 1HG1 ILE 17 HG12 ILE 17 -11.142 2.750 3.806 126 2HG1 ILE 17 HG11 ILE 17 -12.247 2.977 5.159 127 1HG2 ILE 17 HG21 ILE 17 -8.687 3.704 5.051 128 2HG2 ILE 17 HG22 ILE 17 -8.624 2.069 4.393 129 3HG2 ILE 17 HG23 ILE 17 -8.146 2.366 6.065 130 1HD1 ILE 17 HD11 ILE 17 -10.140 4.844 4.137 131 2HD1 ILE 17 HD12 ILE 17 -10.861 5.026 5.736 132 3HD1 ILE 17 HD13 ILE 17 -11.875 5.115 4.296 133 H LYS 18 HN LYS 18 -10.930 0.471 8.232 134 HA LYS 18 HA LYS 18 -8.301 0.008 9.083 135 1HB LYS 18 HB2 LYS 18 -10.977 -0.736 10.249 136 2HB LYS 18 HB1 LYS 18 -9.469 -1.142 11.056 137 1HG LYS 18 HG2 LYS 18 -8.900 1.144 11.333 138 2HG LYS 18 HG1 LYS 18 -10.207 1.662 10.266 139 1HD LYS 18 HD2 LYS 18 -11.309 2.001 12.204 140 2HD LYS 18 HD1 LYS 18 -11.600 0.263 12.112 141 1HE LYS 18 HE2 LYS 18 -10.216 -0.189 13.831 142 2HE LYS 18 HE1 LYS 18 -9.047 1.038 13.345 143 1HZ LYS 18 HZ1 LYS 18 -10.585 1.253 15.497 144 2HZ LYS 18 HZ2 LYS 18 -11.581 2.026 14.369 145 3HZ LYS 18 HZ3 LYS 18 -10.009 2.592 14.636 146 H SER 19 HN SER 19 -10.836 -2.227 8.040 147 HA SER 19 HA SER 19 -9.356 -4.591 8.597 148 1HB SER 19 HB2 SER 19 -11.957 -4.119 8.041 149 2HB SER 19 HB1 SER 19 -11.409 -4.680 6.462 150 HG SER 19 HG SER 19 -11.341 -6.039 8.938 151 H GLN 20 HN GLN 20 -9.490 -2.393 5.906 152 HA GLN 20 HA GLN 20 -8.337 -4.134 3.973 153 1HB GLN 20 HB2 GLN 20 -9.015 -1.264 4.153 154 2HB GLN 20 HB1 GLN 20 -7.705 -1.663 3.050 155 1HG GLN 20 HG2 GLN 20 -9.909 -1.581 1.959 156 2HG GLN 20 HG1 GLN 20 -9.120 -3.151 1.814 157 1HE2 GLN 20 HE21 GLN 20 -11.964 -1.623 2.487 158 2HE2 GLN 20 HE22 GLN 20 -12.776 -2.891 3.334 159 H GLN 21 HN GLN 21 -6.923 -1.258 5.547 160 HA GLN 21 HA GLN 21 -4.287 -1.768 4.792 161 1HB GLN 21 HB2 GLN 21 -3.650 -0.191 6.561 162 2HB GLN 21 HB1 GLN 21 -5.017 0.404 5.630 163 1HG GLN 21 HG2 GLN 21 -6.531 -0.033 7.368 164 2HG GLN 21 HG1 GLN 21 -5.375 -1.050 8.228 165 1HE2 GLN 21 HE21 GLN 21 -6.731 1.988 8.017 166 2HE2 GLN 21 HE22 GLN 21 -5.604 2.853 8.999 167 H SER 22 HN SER 22 -6.150 -2.938 7.521 168 HA SER 22 HA SER 22 -4.035 -3.942 9.073 169 1HB SER 22 HB2 SER 22 -5.747 -5.346 10.156 170 2HB SER 22 HB1 SER 22 -6.311 -3.688 9.952 171 HG SER 22 HG SER 22 -7.025 -5.985 8.466 172 H GLU 23 HN GLU 23 -5.938 -5.412 6.477 173 HA GLU 23 HA GLU 23 -4.853 -8.004 6.685 174 1HB GLU 23 HB2 GLU 23 -6.835 -6.847 5.199 175 2HB GLU 23 HB1 GLU 23 -5.603 -7.130 3.978 176 1HG GLU 23 HG2 GLU 23 -6.978 -9.031 3.965 177 2HG GLU 23 HG1 GLU 23 -5.503 -9.510 4.803 178 H VAL 24 HN VAL 24 -4.056 -5.365 4.419 179 HA VAL 24 HA VAL 24 -1.963 -6.596 3.085 180 HB VAL 24 HB VAL 24 -2.042 -3.660 3.782 181 1HG1 VAL 24 HG11 VAL 24 -0.566 -5.326 1.819 182 2HG1 VAL 24 HG12 VAL 24 -0.044 -3.899 2.714 183 3HG1 VAL 24 HG13 VAL 24 -1.092 -3.722 1.307 184 1HG2 VAL 24 HG21 VAL 24 -3.151 -3.745 1.346 185 2HG2 VAL 24 HG22 VAL 24 -4.096 -3.778 2.835 186 3HG2 VAL 24 HG23 VAL 24 -3.739 -5.280 1.983 187 H THR 25 HN THR 25 -1.774 -4.501 5.962 188 HA THR 25 HA THR 25 0.997 -4.658 6.314 189 HB THR 25 HB THR 25 0.431 -4.109 8.744 190 HG1 THR 25 HG1 THR 25 -1.609 -4.981 8.895 191 1HG2 THR 25 HG21 THR 25 0.646 -2.038 8.015 192 2HG2 THR 25 HG22 THR 25 -1.073 -2.028 7.621 193 3HG2 THR 25 HG23 THR 25 0.108 -2.509 6.403 194 H ARG 26 HN ARG 26 -1.564 -6.859 7.196 195 HA ARG 26 HA ARG 26 -0.118 -8.408 9.069 196 1HB ARG 26 HB2 ARG 26 -2.705 -8.340 8.274 197 2HB ARG 26 HB1 ARG 26 -2.158 -9.781 7.428 198 1HG ARG 26 HG2 ARG 26 -1.530 -10.838 9.460 199 2HG ARG 26 HG1 ARG 26 -1.757 -9.347 10.376 200 1HD ARG 26 HD2 ARG 26 -3.908 -9.809 10.689 201 2HD ARG 26 HD1 ARG 26 -4.164 -10.000 8.956 202 HE ARG 26 HE ARG 26 -4.063 -12.275 9.220 203 1HH1 ARG 26 HH11 ARG 26 -2.876 -10.737 12.119 204 2HH1 ARG 26 HH12 ARG 26 -2.810 -12.212 13.024 205 1HH2 ARG 26 HH21 ARG 26 -3.976 -14.215 10.409 206 2HH2 ARG 26 HH22 ARG 26 -3.434 -14.186 12.053 207 H ILE 27 HN ILE 27 -0.498 -8.606 5.567 208 HA ILE 27 HA ILE 27 0.864 -11.090 5.280 209 HB ILE 27 HB ILE 27 0.559 -8.962 3.165 210 1HG1 ILE 27 HG12 ILE 27 -1.632 -9.387 4.125 211 2HG1 ILE 27 HG11 ILE 27 -1.534 -10.142 2.538 212 1HG2 ILE 27 HG21 ILE 27 1.907 -10.508 2.182 213 2HG2 ILE 27 HG22 ILE 27 0.345 -11.253 1.841 214 3HG2 ILE 27 HG23 ILE 27 1.320 -11.828 3.194 215 1HD1 ILE 27 HD11 ILE 27 -2.187 -12.041 3.453 216 2HD1 ILE 27 HD12 ILE 27 -2.145 -11.317 5.061 217 3HD1 ILE 27 HD13 ILE 27 -0.697 -12.074 4.396 218 H LEU 28 HN LEU 28 1.853 -7.745 4.523 219 HA LEU 28 HA LEU 28 4.506 -8.328 3.869 220 1HB LEU 28 HB2 LEU 28 3.324 -5.807 5.034 221 2HB LEU 28 HB1 LEU 28 4.935 -5.926 4.354 222 HG LEU 28 HG LEU 28 2.637 -6.727 2.637 223 1HD1 LEU 28 HD11 LEU 28 2.210 -4.470 3.878 224 2HD1 LEU 28 HD12 LEU 28 1.936 -4.596 2.140 225 3HD1 LEU 28 HD13 LEU 28 3.414 -3.851 2.748 226 1HD2 LEU 28 HD21 LEU 28 5.398 -5.650 2.309 227 2HD2 LEU 28 HD22 LEU 28 4.209 -5.380 1.035 228 3HD2 LEU 28 HD23 LEU 28 4.623 -7.024 1.521 229 H ASP 29 HN ASP 29 3.084 -7.345 6.971 230 HA ASP 29 HA ASP 29 5.444 -7.216 8.457 231 1HB ASP 29 HB2 ASP 29 3.216 -6.399 9.223 232 2HB ASP 29 HB1 ASP 29 2.723 -8.072 9.463 233 H GLY 30 HN GLY 30 3.151 -9.930 8.136 234 1HA GLY 30 HA2 GLY 30 4.585 -11.776 9.676 235 2HA GLY 30 HA1 GLY 30 3.444 -12.191 8.405 236 H LYS 31 HN LYS 31 5.044 -10.724 6.386 237 HA LYS 31 HA LYS 31 6.756 -12.904 5.648 238 1HB LYS 31 HB2 LYS 31 5.883 -10.347 4.391 239 2HB LYS 31 HB1 LYS 31 7.341 -11.114 3.778 240 1HG LYS 31 HG2 LYS 31 6.136 -13.106 3.222 241 2HG LYS 31 HG1 LYS 31 4.679 -12.497 4.010 242 1HD LYS 31 HD2 LYS 31 4.116 -11.852 1.926 243 2HD LYS 31 HD1 LYS 31 5.186 -10.490 2.264 244 1HE LYS 31 HE2 LYS 31 6.974 -12.315 1.389 245 2HE LYS 31 HE1 LYS 31 5.552 -12.794 0.463 246 1HZ LYS 31 HZ1 LYS 31 7.163 -10.382 0.275 247 2HZ LYS 31 HZ2 LYS 31 5.494 -10.168 0.102 248 3HZ LYS 31 HZ3 LYS 31 6.323 -11.221 -0.930 249 H ARG 32 HN ARG 32 7.178 -10.160 7.562 250 HA ARG 32 HA ARG 32 8.998 -9.268 8.591 251 1HB ARG 32 HB2 ARG 32 9.696 -11.897 8.175 252 2HB ARG 32 HB1 ARG 32 11.025 -11.031 7.416 253 1HG ARG 32 HG2 ARG 32 11.915 -10.526 9.382 254 2HG ARG 32 HG1 ARG 32 10.385 -9.877 9.977 255 1HD ARG 32 HD2 ARG 32 11.126 -11.711 11.382 256 2HD ARG 32 HD1 ARG 32 9.648 -12.152 10.528 257 HE ARG 32 HE ARG 32 11.950 -12.994 9.094 258 1HH1 ARG 32 HH11 ARG 32 9.965 -13.792 11.851 259 2HH1 ARG 32 HH12 ARG 32 10.353 -15.479 11.799 260 1HH2 ARG 32 HH21 ARG 32 12.463 -15.212 9.026 261 2HH2 ARG 32 HH22 ARG 32 11.772 -16.285 10.197 262 H ILE 33 HN ILE 33 8.168 -8.135 6.220 263 HA ILE 33 HA ILE 33 10.494 -7.646 4.566 264 HB ILE 33 HB ILE 33 7.779 -6.336 4.396 265 1HG1 ILE 33 HG12 ILE 33 8.828 -8.804 2.993 266 2HG1 ILE 33 HG11 ILE 33 7.543 -8.760 4.195 267 1HG2 ILE 33 HG21 ILE 33 10.120 -6.505 2.516 268 2HG2 ILE 33 HG22 ILE 33 9.362 -5.062 3.189 269 3HG2 ILE 33 HG23 ILE 33 8.502 -6.034 1.995 270 1HD1 ILE 33 HD11 ILE 33 6.044 -7.761 2.729 271 2HD1 ILE 33 HD12 ILE 33 6.902 -8.928 1.724 272 3HD1 ILE 33 HD13 ILE 33 7.322 -7.217 1.643 273 H GLN 34 HN GLN 34 11.210 -5.477 4.102 274 HA GLN 34 HA GLN 34 10.912 -3.641 6.387 275 1HB GLN 34 HB2 GLN 34 13.416 -3.863 4.725 276 2HB GLN 34 HB1 GLN 34 13.210 -3.069 6.281 277 1HG GLN 34 HG2 GLN 34 13.895 -4.907 7.292 278 2HG GLN 34 HG1 GLN 34 12.502 -5.772 6.644 279 1HE2 GLN 34 HE21 GLN 34 13.179 -5.677 3.929 280 2HE2 GLN 34 HE22 GLN 34 14.560 -6.682 3.675 281 H TYR 35 HN TYR 35 9.189 -3.404 4.332 282 HA TYR 35 HA TYR 35 10.173 -1.541 2.362 283 1HB TYR 35 HB2 TYR 35 7.959 -1.605 1.433 284 2HB TYR 35 HB1 TYR 35 8.403 -3.249 1.875 285 HD1 TYR 35 HD1 TYR 35 5.990 -0.644 2.248 286 HD2 TYR 35 HD2 TYR 35 7.499 -4.165 4.097 287 HE1 TYR 35 HE1 TYR 35 3.929 -0.823 3.576 288 HE2 TYR 35 HE2 TYR 35 5.443 -4.353 5.430 289 HH TYR 35 HH TYR 35 3.165 -3.626 5.415 290 H GLN 36 HN GLN 36 9.016 0.544 1.999 291 HA GLN 36 HA GLN 36 8.877 2.012 4.501 292 1HB GLN 36 HB2 GLN 36 10.243 2.973 2.756 293 2HB GLN 36 HB1 GLN 36 8.914 2.894 1.609 294 1HG GLN 36 HG2 GLN 36 9.195 5.153 2.343 295 2HG GLN 36 HG1 GLN 36 7.676 4.524 2.978 296 1HE2 GLN 36 HE21 GLN 36 11.040 5.165 3.804 297 2HE2 GLN 36 HE22 GLN 36 10.770 5.414 5.492 298 H LEU 37 HN LEU 37 7.119 3.519 4.907 299 HA LEU 37 HA LEU 37 4.610 2.821 3.564 300 1HB LEU 37 HB2 LEU 37 4.945 1.617 5.772 301 2HB LEU 37 HB1 LEU 37 4.824 3.186 6.543 302 HG LEU 37 HG LEU 37 2.559 3.218 5.074 303 1HD1 LEU 37 HD11 LEU 37 3.365 0.394 5.370 304 2HD1 LEU 37 HD12 LEU 37 2.339 1.165 4.160 305 3HD1 LEU 37 HD13 LEU 37 1.686 0.777 5.751 306 1HD2 LEU 37 HD21 LEU 37 3.214 2.399 7.849 307 2HD2 LEU 37 HD22 LEU 37 1.566 2.131 7.280 308 3HD2 LEU 37 HD23 LEU 37 2.251 3.756 7.264 309 H VAL 38 HN VAL 38 4.292 4.697 2.517 310 HA VAL 38 HA VAL 38 4.775 7.239 3.789 311 HB VAL 38 HB VAL 38 3.546 8.106 1.668 312 1HG1 VAL 38 HG11 VAL 38 5.677 7.604 0.308 313 2HG1 VAL 38 HG12 VAL 38 6.241 6.807 1.777 314 3HG1 VAL 38 HG13 VAL 38 5.826 8.521 1.807 315 1HG2 VAL 38 HG21 VAL 38 3.466 6.642 -0.209 316 2HG2 VAL 38 HG22 VAL 38 2.613 5.846 1.112 317 3HG2 VAL 38 HG23 VAL 38 4.250 5.346 0.691 318 H ASP 39 HN ASP 39 3.391 6.918 5.603 319 HA ASP 39 HA ASP 39 0.551 6.679 5.220 320 1HB ASP 39 HB2 ASP 39 2.120 6.039 7.281 321 2HB ASP 39 HB1 ASP 39 1.666 7.659 7.801 322 H ILE 40 HN ILE 40 -0.651 8.273 4.498 323 HA ILE 40 HA ILE 40 0.173 11.000 4.514 324 HB ILE 40 HB ILE 40 -2.056 11.471 3.559 325 1HG1 ILE 40 HG12 ILE 40 -2.500 8.502 3.952 326 2HG1 ILE 40 HG11 ILE 40 -3.352 9.793 4.792 327 1HG2 ILE 40 HG21 ILE 40 0.051 10.106 2.416 328 2HG2 ILE 40 HG22 ILE 40 -1.277 10.885 1.556 329 3HG2 ILE 40 HG23 ILE 40 -1.361 9.165 1.936 330 1HD1 ILE 40 HD11 ILE 40 -3.598 10.210 1.988 331 2HD1 ILE 40 HD12 ILE 40 -4.856 9.867 3.177 332 3HD1 ILE 40 HD13 ILE 40 -4.027 8.540 2.362 333 H SER 41 HN SER 41 -1.351 9.073 6.847 334 HA SER 41 HA SER 41 -3.145 10.865 8.032 335 1HB SER 41 HB2 SER 41 -2.946 8.426 8.575 336 2HB SER 41 HB1 SER 41 -1.472 8.794 9.471 337 HG SER 41 HG SER 41 -4.102 9.705 10.009 338 H GLN 42 HN GLN 42 0.314 10.729 8.070 339 HA GLN 42 HA GLN 42 0.888 12.136 10.411 340 1HB GLN 42 HB2 GLN 42 2.555 10.977 8.968 341 2HB GLN 42 HB1 GLN 42 2.389 12.271 7.791 342 1HG GLN 42 HG2 GLN 42 3.146 12.891 10.613 343 2HG GLN 42 HG1 GLN 42 4.354 12.308 9.469 344 1HE2 GLN 42 HE21 GLN 42 4.615 13.537 7.477 345 2HE2 GLN 42 HE22 GLN 42 4.368 15.246 7.510 346 H ASP 43 HN ASP 43 0.961 13.503 7.121 347 HA ASP 43 HA ASP 43 0.007 16.048 8.263 348 1HB ASP 43 HB2 ASP 43 2.445 15.716 7.174 349 2HB ASP 43 HB1 ASP 43 1.532 16.094 5.716 350 H ASN 44 HN ASN 44 -1.464 17.267 7.055 351 HA ASN 44 HA ASN 44 -3.333 15.774 5.547 352 1HB ASN 44 HB2 ASN 44 -3.012 18.740 6.009 353 2HB ASN 44 HB1 ASN 44 -4.349 18.054 5.091 354 1HD2 ASN 44 HD21 ASN 44 -2.919 18.446 8.219 355 2HD2 ASN 44 HD22 ASN 44 -4.265 17.871 9.136 356 H ALA 45 HN ALA 45 -0.529 17.610 4.676 357 HA ALA 45 HA ALA 45 -1.131 18.251 2.023 358 1HB ALA 45 HB1 ALA 45 1.611 17.498 2.999 359 2HB ALA 45 HB2 ALA 45 0.844 19.036 3.395 360 3HB ALA 45 HB3 ALA 45 1.180 18.626 1.713 361 H LEU 46 HN LEU 46 0.288 15.331 3.416 362 HA LEU 46 HA LEU 46 0.859 14.011 1.006 363 1HB LEU 46 HB2 LEU 46 0.155 12.860 3.707 364 2HB LEU 46 HB1 LEU 46 0.823 11.940 2.373 365 HG LEU 46 HG LEU 46 2.665 13.945 2.622 366 1HD1 LEU 46 HD11 LEU 46 1.190 14.302 4.870 367 2HD1 LEU 46 HD12 LEU 46 2.897 14.717 4.714 368 3HD1 LEU 46 HD13 LEU 46 2.426 13.183 5.444 369 1HD2 LEU 46 HD21 LEU 46 2.714 11.286 2.624 370 2HD2 LEU 46 HD22 LEU 46 3.036 11.556 4.337 371 3HD2 LEU 46 HD23 LEU 46 4.102 12.256 3.118 372 H ARG 47 HN ARG 47 -2.072 14.227 2.929 373 HA ARG 47 HA ARG 47 -3.543 12.204 1.641 374 1HB ARG 47 HB2 ARG 47 -4.354 14.674 3.161 375 2HB ARG 47 HB1 ARG 47 -5.545 13.579 2.471 376 1HG ARG 47 HG2 ARG 47 -4.519 11.735 3.787 377 2HG ARG 47 HG1 ARG 47 -3.482 12.933 4.564 378 1HD ARG 47 HD2 ARG 47 -5.725 14.138 5.092 379 2HD ARG 47 HD1 ARG 47 -6.443 12.558 4.780 380 HE ARG 47 HE ARG 47 -4.407 12.075 6.547 381 1HH1 ARG 47 HH11 ARG 47 -7.248 14.101 6.529 382 2HH1 ARG 47 HH12 ARG 47 -7.462 14.031 8.246 383 1HH2 ARG 47 HH21 ARG 47 -4.687 11.980 8.805 384 2HH2 ARG 47 HH22 ARG 47 -6.008 12.827 9.538 385 H ASP 48 HN ASP 48 -3.540 15.733 1.117 386 HA ASP 48 HA ASP 48 -5.137 15.461 -1.252 387 1HB ASP 48 HB2 ASP 48 -4.200 17.651 0.434 388 2HB ASP 48 HB1 ASP 48 -4.183 18.046 -1.282 389 H GLU 49 HN GLU 49 -2.059 14.800 -0.716 390 HA GLU 49 HA GLU 49 -1.062 15.826 -3.273 391 1HB GLU 49 HB2 GLU 49 0.390 16.229 -1.353 392 2HB GLU 49 HB1 GLU 49 0.397 14.513 -0.970 393 1HG GLU 49 HG2 GLU 49 2.454 15.045 -2.038 394 2HG GLU 49 HG1 GLU 49 1.488 14.090 -3.161 395 H MET 50 HN MET 50 -1.826 12.913 -1.515 396 HA MET 50 HA MET 50 -0.769 11.125 -3.505 397 1HB MET 50 HB2 MET 50 -0.981 10.588 -1.050 398 2HB MET 50 HB1 MET 50 -2.721 10.499 -1.284 399 1HG MET 50 HG2 MET 50 -0.877 8.840 -2.947 400 2HG MET 50 HG1 MET 50 -1.325 8.335 -1.319 401 1HE MET 50 HE1 MET 50 -3.300 6.796 -0.921 402 2HE MET 50 HE2 MET 50 -4.900 7.223 -1.525 403 3HE MET 50 HE3 MET 50 -3.975 8.389 -0.580 404 H ARG 51 HN ARG 51 -3.854 12.601 -2.756 405 HA ARG 51 HA ARG 51 -5.623 11.020 -4.156 406 1HB ARG 51 HB2 ARG 51 -5.514 13.852 -3.357 407 2HB ARG 51 HB1 ARG 51 -6.571 13.518 -4.722 408 1HG ARG 51 HG2 ARG 51 -7.709 13.470 -2.520 409 2HG ARG 51 HG1 ARG 51 -7.857 11.969 -3.436 410 1HD ARG 51 HD2 ARG 51 -6.974 10.831 -1.748 411 2HD ARG 51 HD1 ARG 51 -5.515 11.816 -1.825 412 HE ARG 51 HE ARG 51 -6.204 12.817 0.094 413 1HH1 ARG 51 HH11 ARG 51 -9.030 11.607 -1.558 414 2HH1 ARG 51 HH12 ARG 51 -10.125 12.104 -0.313 415 1HH2 ARG 51 HH21 ARG 51 -7.643 13.471 1.734 416 2HH2 ARG 51 HH22 ARG 51 -9.338 13.162 1.557 417 H ALA 52 HN ALA 52 -3.724 13.749 -5.430 418 HA ALA 52 HA ALA 52 -4.553 13.266 -8.135 419 1HB ALA 52 HB1 ALA 52 -2.118 14.864 -7.627 420 2HB ALA 52 HB2 ALA 52 -3.613 15.450 -6.897 421 3HB ALA 52 HB3 ALA 52 -3.517 15.215 -8.642 422 H LEU 53 HN LEU 53 -1.835 12.404 -6.109 423 HA LEU 53 HA LEU 53 -0.068 11.506 -8.103 424 1HB LEU 53 HB2 LEU 53 -0.089 11.659 -5.317 425 2HB LEU 53 HB1 LEU 53 0.071 9.948 -5.657 426 HG LEU 53 HG LEU 53 2.083 10.319 -6.920 427 1HD1 LEU 53 HD11 LEU 53 2.536 12.234 -7.940 428 2HD1 LEU 53 HD12 LEU 53 2.586 13.084 -6.396 429 3HD1 LEU 53 HD13 LEU 53 1.059 12.919 -7.262 430 1HD2 LEU 53 HD21 LEU 53 3.454 11.535 -5.107 431 2HD2 LEU 53 HD22 LEU 53 2.609 10.049 -4.675 432 3HD2 LEU 53 HD23 LEU 53 1.928 11.612 -4.225 433 H ALA 54 HN ALA 54 -2.852 10.046 -6.600 434 HA ALA 54 HA ALA 54 -2.280 7.447 -7.788 435 1HB ALA 54 HB1 ALA 54 -4.673 8.208 -6.132 436 2HB ALA 54 HB2 ALA 54 -3.137 7.691 -5.439 437 3HB ALA 54 HB3 ALA 54 -4.055 6.591 -6.467 438 H GLY 55 HN GLY 55 -3.595 10.241 -8.901 439 1HA GLY 55 HA2 GLY 55 -5.009 10.767 -10.631 440 2HA GLY 55 HA1 GLY 55 -4.659 9.152 -11.227 441 H ASN 56 HN ASN 56 -6.388 10.274 -8.331 442 HA ASN 56 HA ASN 56 -8.987 9.921 -9.135 443 1HB ASN 56 HB2 ASN 56 -9.345 7.616 -7.899 444 2HB ASN 56 HB1 ASN 56 -8.905 7.655 -9.602 445 1HD2 ASN 56 HD21 ASN 56 -7.207 7.845 -6.487 446 2HD2 ASN 56 HD22 ASN 56 -6.004 6.670 -6.881 447 HA PRO 57 HA PRO 57 -8.923 11.484 -5.018 448 1HB PRO 57 HB2 PRO 57 -11.348 12.831 -5.556 449 2HB PRO 57 HB1 PRO 57 -9.722 13.496 -5.610 450 1HG PRO 57 HG2 PRO 57 -11.420 13.181 -7.782 451 2HG PRO 57 HG1 PRO 57 -9.665 13.415 -7.868 452 1HD PRO 57 HD2 PRO 57 -11.256 10.898 -8.047 453 2HD PRO 57 HD1 PRO 57 -9.783 11.377 -8.918 454 H LYS 58 HN LYS 58 -10.262 8.886 -5.839 455 HA LYS 58 HA LYS 58 -12.263 8.851 -3.686 456 1HB LYS 58 HB2 LYS 58 -12.501 7.975 -6.483 457 2HB LYS 58 HB1 LYS 58 -13.053 6.792 -5.306 458 1HG LYS 58 HG2 LYS 58 -14.449 8.643 -4.297 459 2HG LYS 58 HG1 LYS 58 -14.059 9.587 -5.736 460 1HD LYS 58 HD2 LYS 58 -15.439 8.383 -7.050 461 2HD LYS 58 HD1 LYS 58 -15.018 6.860 -6.266 462 1HE LYS 58 HE2 LYS 58 -16.564 8.736 -4.613 463 2HE LYS 58 HE1 LYS 58 -17.415 8.104 -6.021 464 1HZ LYS 58 HZ1 LYS 58 -17.463 6.029 -5.174 465 2HZ LYS 58 HZ2 LYS 58 -17.338 6.845 -3.698 466 3HZ LYS 58 HZ3 LYS 58 -15.960 6.167 -4.407 467 H ALA 59 HN ALA 59 -9.292 7.822 -4.603 468 HA ALA 59 HA ALA 59 -9.234 5.083 -4.075 469 1HB ALA 59 HB1 ALA 59 -6.836 6.370 -3.138 470 2HB ALA 59 HB2 ALA 59 -7.372 7.087 -4.657 471 3HB ALA 59 HB3 ALA 59 -7.081 5.350 -4.556 472 H THR 60 HN THR 60 -7.328 4.782 -2.031 473 HA THR 60 HA THR 60 -8.558 5.791 0.408 474 HB THR 60 HB THR 60 -8.669 3.467 1.352 475 HG1 THR 60 HG1 THR 60 -7.297 2.517 -0.258 476 1HG2 THR 60 HG21 THR 60 -10.699 2.741 0.132 477 2HG2 THR 60 HG22 THR 60 -10.414 4.041 -1.025 478 3HG2 THR 60 HG23 THR 60 -10.743 4.421 0.666 479 HA PRO 61 HA PRO 61 -4.575 5.992 2.249 480 1HB PRO 61 HB2 PRO 61 -5.453 3.883 4.177 481 2HB PRO 61 HB1 PRO 61 -4.657 5.428 4.486 482 1HG PRO 61 HG2 PRO 61 -7.275 5.134 4.899 483 2HG PRO 61 HG1 PRO 61 -6.612 6.641 4.242 484 1HD PRO 61 HD2 PRO 61 -8.148 4.496 2.881 485 2HD PRO 61 HD1 PRO 61 -8.063 6.231 2.518 486 HA PRO 62 HA PRO 62 -3.097 1.367 2.062 487 1HB PRO 62 HB2 PRO 62 -4.872 -0.423 1.005 488 2HB PRO 62 HB1 PRO 62 -4.680 -0.140 2.738 489 1HG PRO 62 HG2 PRO 62 -6.733 0.954 0.856 490 2HG PRO 62 HG1 PRO 62 -6.943 0.331 2.504 491 1HD PRO 62 HD2 PRO 62 -6.864 2.965 1.984 492 2HD PRO 62 HD1 PRO 62 -6.185 2.287 3.476 493 H GLN 63 HN GLN 63 -2.057 2.646 0.387 494 HA GLN 63 HA GLN 63 -2.677 1.610 -2.290 495 1HB GLN 63 HB2 GLN 63 -2.230 4.478 -1.498 496 2HB GLN 63 HB1 GLN 63 -1.918 3.923 -3.137 497 1HG GLN 63 HG2 GLN 63 -4.560 3.471 -1.799 498 2HG GLN 63 HG1 GLN 63 -4.186 4.974 -2.640 499 1HE2 GLN 63 HE21 GLN 63 -6.253 3.214 -3.357 500 2HE2 GLN 63 HE22 GLN 63 -5.898 2.572 -4.921 501 H ILE 64 HN ILE 64 -0.984 0.374 -2.776 502 HA ILE 64 HA ILE 64 1.637 0.899 -1.707 503 HB ILE 64 HB ILE 64 0.926 -1.140 -3.810 504 1HG1 ILE 64 HG12 ILE 64 1.014 -2.568 -1.513 505 2HG1 ILE 64 HG11 ILE 64 0.338 -1.059 -0.908 506 1HG2 ILE 64 HG21 ILE 64 2.859 -2.221 -2.240 507 2HG2 ILE 64 HG22 ILE 64 3.297 -0.513 -2.200 508 3HG2 ILE 64 HG23 ILE 64 3.160 -1.352 -3.745 509 1HD1 ILE 64 HD11 ILE 64 -1.159 -3.043 -1.845 510 2HD1 ILE 64 HD12 ILE 64 -0.879 -2.176 -3.355 511 3HD1 ILE 64 HD13 ILE 64 -1.624 -1.349 -1.988 512 H VAL 65 HN VAL 65 3.354 1.776 -2.698 513 HA VAL 65 HA VAL 65 3.154 2.432 -5.558 514 HB VAL 65 HB VAL 65 4.073 4.317 -3.384 515 1HG1 VAL 65 HG11 VAL 65 4.908 4.207 -6.055 516 2HG1 VAL 65 HG12 VAL 65 5.160 5.517 -4.903 517 3HG1 VAL 65 HG13 VAL 65 3.753 5.535 -5.965 518 1HG2 VAL 65 HG21 VAL 65 1.838 4.850 -5.294 519 2HG2 VAL 65 HG22 VAL 65 2.138 5.542 -3.700 520 3HG2 VAL 65 HG23 VAL 65 1.554 3.885 -3.845 521 H ASN 66 HN ASN 66 5.022 2.239 -6.702 522 HA ASN 66 HA ASN 66 7.353 1.220 -5.224 523 1HB ASN 66 HB2 ASN 66 6.256 -0.306 -6.896 524 2HB ASN 66 HB1 ASN 66 6.733 0.827 -8.156 525 1HD2 ASN 66 HD21 ASN 66 8.178 -0.862 -5.388 526 2HD2 ASN 66 HD22 ASN 66 9.636 -1.304 -6.203 527 H GLY 67 HN GLY 67 8.448 3.097 -4.784 528 1HA GLY 67 HA2 GLY 67 10.116 4.625 -5.292 529 2HA GLY 67 HA1 GLY 67 9.899 4.253 -6.994 530 H ASP 68 HN ASP 68 8.303 5.359 -8.184 531 HA ASP 68 HA ASP 68 6.894 7.543 -6.874 532 1HB ASP 68 HB2 ASP 68 7.745 9.141 -8.665 533 2HB ASP 68 HB1 ASP 68 8.898 8.698 -7.409 534 H GLN 69 HN GLN 69 5.938 5.157 -8.032 535 HA GLN 69 HA GLN 69 4.303 6.294 -10.179 536 1HB GLN 69 HB2 GLN 69 6.254 4.174 -10.485 537 2HB GLN 69 HB1 GLN 69 4.641 3.612 -10.900 538 1HG GLN 69 HG2 GLN 69 4.724 6.007 -12.180 539 2HG GLN 69 HG1 GLN 69 6.404 5.484 -12.292 540 1HE2 GLN 69 HE21 GLN 69 3.144 4.888 -13.266 541 2HE2 GLN 69 HE22 GLN 69 3.493 3.675 -14.446 542 H TYR 70 HN TYR 70 2.333 5.003 -10.586 543 HA TYR 70 HA TYR 70 1.155 4.219 -8.080 544 1HB TYR 70 HB2 TYR 70 0.053 5.507 -10.059 545 2HB TYR 70 HB1 TYR 70 -0.192 3.905 -10.746 546 HD1 TYR 70 HD1 TYR 70 -2.481 3.516 -10.607 547 HD2 TYR 70 HD2 TYR 70 -0.434 5.042 -7.204 548 HE1 TYR 70 HE1 TYR 70 -4.525 3.252 -9.266 549 HE2 TYR 70 HE2 TYR 70 -2.472 4.782 -5.854 550 HH TYR 70 HH TYR 70 -5.145 2.988 -6.885 551 H CYS 71 HN CYS 71 1.847 2.295 -7.337 552 HA CYS 71 HA CYS 71 2.284 0.052 -9.085 553 1HB CYS 71 HB2 CYS 71 3.443 0.673 -6.801 554 2HB CYS 71 HB1 CYS 71 2.102 -0.236 -6.113 555 HG CYS 71 HG CYS 71 3.000 -2.369 -7.136 556 H GLY 72 HN GLY 72 -0.037 0.776 -6.465 557 1HA GLY 72 HA2 GLY 72 -2.298 -0.180 -7.695 558 2HA GLY 72 HA1 GLY 72 -1.564 -1.597 -6.961 559 H ASP 73 HN ASP 73 -3.126 -1.974 -5.451 560 HA ASP 73 HA ASP 73 -3.019 -0.361 -3.079 561 1HB ASP 73 HB2 ASP 73 -5.377 0.208 -2.968 562 2HB ASP 73 HB1 ASP 73 -4.692 0.860 -4.452 563 H TYR 74 HN TYR 74 -5.358 -1.330 -1.848 564 HA TYR 74 HA TYR 74 -4.538 -3.765 -0.832 565 1HB TYR 74 HB2 TYR 74 -6.139 -2.367 0.333 566 2HB TYR 74 HB1 TYR 74 -7.323 -2.595 -0.949 567 HD1 TYR 74 HD1 TYR 74 -8.228 -4.948 -1.332 568 HD2 TYR 74 HD2 TYR 74 -6.037 -3.850 2.145 569 HE1 TYR 74 HE1 TYR 74 -9.137 -6.903 -0.150 570 HE2 TYR 74 HE2 TYR 74 -6.939 -5.802 3.337 571 HH TYR 74 HH TYR 74 -9.478 -7.359 2.660 572 H GLU 75 HN GLU 75 -7.126 -3.211 -3.227 573 HA GLU 75 HA GLU 75 -7.874 -5.817 -3.678 574 1HB GLU 75 HB2 GLU 75 -8.545 -3.384 -4.693 575 2HB GLU 75 HB1 GLU 75 -7.753 -4.119 -6.076 576 1HG GLU 75 HG2 GLU 75 -9.565 -5.974 -4.841 577 2HG GLU 75 HG1 GLU 75 -10.384 -4.464 -5.231 578 H LEU 76 HN LEU 76 -5.595 -3.975 -5.719 579 HA LEU 76 HA LEU 76 -4.767 -6.065 -7.333 580 1HB LEU 76 HB2 LEU 76 -3.118 -3.720 -6.389 581 2HB LEU 76 HB1 LEU 76 -2.748 -4.735 -7.770 582 HG LEU 76 HG LEU 76 -5.288 -3.885 -8.360 583 1HD1 LEU 76 HD11 LEU 76 -3.951 -1.374 -7.494 584 2HD1 LEU 76 HD12 LEU 76 -4.838 -2.314 -6.295 585 3HD1 LEU 76 HD13 LEU 76 -5.663 -1.720 -7.736 586 1HD2 LEU 76 HD21 LEU 76 -2.890 -2.283 -9.167 587 2HD2 LEU 76 HD22 LEU 76 -4.294 -2.751 -10.127 588 3HD2 LEU 76 HD23 LEU 76 -3.079 -3.955 -9.694 589 H PHE 77 HN PHE 77 -3.029 -4.807 -4.482 590 HA PHE 77 HA PHE 77 -0.981 -6.609 -4.336 591 1HB PHE 77 HB2 PHE 77 -1.013 -4.779 -2.817 592 2HB PHE 77 HB1 PHE 77 -2.555 -5.279 -2.133 593 HD1 PHE 77 HD1 PHE 77 1.029 -5.600 -1.976 594 HD2 PHE 77 HD2 PHE 77 -2.648 -7.327 -0.705 595 HE1 PHE 77 HE1 PHE 77 2.221 -6.828 -0.209 596 HE2 PHE 77 HE2 PHE 77 -1.462 -8.557 1.066 597 HZ PHE 77 HZ PHE 77 0.975 -8.308 1.316 598 H VAL 78 HN VAL 78 -4.190 -6.997 -2.831 599 HA VAL 78 HA VAL 78 -3.708 -9.584 -1.810 600 HB VAL 78 HB VAL 78 -6.379 -8.394 -2.571 601 1HG1 VAL 78 HG11 VAL 78 -7.005 -9.902 -0.526 602 2HG1 VAL 78 HG12 VAL 78 -5.535 -10.768 -0.973 603 3HG1 VAL 78 HG13 VAL 78 -6.850 -10.603 -2.137 604 1HG2 VAL 78 HG21 VAL 78 -4.635 -7.260 -0.841 605 2HG2 VAL 78 HG22 VAL 78 -5.508 -8.348 0.238 606 3HG2 VAL 78 HG23 VAL 78 -6.389 -7.142 -0.699 607 H GLU 79 HN GLU 79 -4.809 -8.417 -4.920 608 HA GLU 79 HA GLU 79 -5.681 -10.969 -5.878 609 1HB GLU 79 HB2 GLU 79 -6.517 -8.785 -6.753 610 2HB GLU 79 HB1 GLU 79 -4.941 -8.523 -7.487 611 1HG GLU 79 HG2 GLU 79 -5.679 -11.038 -8.373 612 2HG GLU 79 HG1 GLU 79 -7.178 -10.110 -8.408 613 H ALA 80 HN ALA 80 -2.636 -9.730 -5.278 614 HA ALA 80 HA ALA 80 -1.351 -11.123 -7.497 615 1HB ALA 80 HB1 ALA 80 0.637 -9.998 -6.905 616 2HB ALA 80 HB2 ALA 80 0.022 -9.593 -5.303 617 3HB ALA 80 HB3 ALA 80 -0.657 -8.813 -6.732 618 H VAL 81 HN VAL 81 -1.112 -11.073 -3.931 619 HA VAL 81 HA VAL 81 0.613 -13.214 -3.600 620 HB VAL 81 HB VAL 81 -1.713 -12.696 -1.752 621 1HG1 VAL 81 HG11 VAL 81 0.317 -13.220 -0.133 622 2HG1 VAL 81 HG12 VAL 81 0.907 -14.076 -1.557 623 3HG1 VAL 81 HG13 VAL 81 -0.654 -14.502 -0.857 624 1HG2 VAL 81 HG21 VAL 81 0.655 -11.314 -0.934 625 2HG2 VAL 81 HG22 VAL 81 -0.955 -10.670 -1.250 626 3HG2 VAL 81 HG23 VAL 81 0.213 -10.803 -2.562 627 H GLU 82 HN GLU 82 -2.788 -13.201 -4.318 628 HA GLU 82 HA GLU 82 -3.489 -15.810 -3.638 629 1HB GLU 82 HB2 GLU 82 -5.209 -15.488 -5.541 630 2HB GLU 82 HB1 GLU 82 -5.277 -14.417 -4.148 631 1HG GLU 82 HG2 GLU 82 -4.986 -12.637 -5.421 632 2HG GLU 82 HG1 GLU 82 -3.533 -13.321 -6.150 633 H GLN 83 HN GLN 83 -2.265 -14.569 -6.748 634 HA GLN 83 HA GLN 83 -2.024 -17.327 -7.710 635 1HB GLN 83 HB2 GLN 83 -2.946 -15.078 -8.965 636 2HB GLN 83 HB1 GLN 83 -1.284 -15.139 -9.532 637 1HG GLN 83 HG2 GLN 83 -1.586 -17.194 -10.580 638 2HG GLN 83 HG1 GLN 83 -3.045 -17.555 -9.658 639 1HE2 GLN 83 HE21 GLN 83 -2.127 -14.634 -11.425 640 2HE2 GLN 83 HE22 GLN 83 -3.464 -14.662 -12.519 641 H ASN 84 HN ASN 84 -0.215 -15.475 -5.889 642 HA ASN 84 HA ASN 84 1.968 -15.543 -5.317 643 1HB ASN 84 HB2 ASN 84 1.721 -17.827 -6.922 644 2HB ASN 84 HB1 ASN 84 3.114 -16.965 -7.571 645 1HD2 ASN 84 HD21 ASN 84 2.015 -19.062 -5.206 646 2HD2 ASN 84 HD22 ASN 84 3.403 -19.044 -4.178 647 H THR 85 HN THR 85 0.628 -13.768 -7.356 648 HA THR 85 HA THR 85 2.805 -12.903 -9.034 649 HB THR 85 HB THR 85 0.796 -10.943 -9.075 650 HG1 THR 85 HG1 THR 85 -1.085 -12.124 -9.269 651 1HG2 THR 85 HG21 THR 85 1.594 -13.171 -10.865 652 2HG2 THR 85 HG22 THR 85 1.615 -11.430 -11.142 653 3HG2 THR 85 HG23 THR 85 0.089 -12.312 -11.192 654 H LEU 86 HN LEU 86 1.635 -12.267 -5.893 655 HA LEU 86 HA LEU 86 1.970 -9.744 -5.193 656 1HB LEU 86 HB2 LEU 86 1.668 -11.507 -3.568 657 2HB LEU 86 HB1 LEU 86 3.300 -12.085 -3.841 658 HG LEU 86 HG LEU 86 4.225 -10.072 -2.870 659 1HD1 LEU 86 HD11 LEU 86 2.611 -8.482 -1.723 660 2HD1 LEU 86 HD12 LEU 86 1.355 -9.203 -2.728 661 3HD1 LEU 86 HD13 LEU 86 2.719 -8.376 -3.480 662 1HD2 LEU 86 HD21 LEU 86 4.090 -11.304 -1.019 663 2HD2 LEU 86 HD22 LEU 86 2.485 -11.902 -1.442 664 3HD2 LEU 86 HD23 LEU 86 2.660 -10.358 -0.608 665 H GLN 87 HN GLN 87 4.742 -11.848 -5.945 666 HA GLN 87 HA GLN 87 6.776 -10.036 -5.338 667 1HB GLN 87 HB2 GLN 87 7.531 -12.201 -5.757 668 2HB GLN 87 HB1 GLN 87 6.582 -12.354 -7.230 669 1HG GLN 87 HG2 GLN 87 8.084 -10.989 -8.451 670 2HG GLN 87 HG1 GLN 87 8.913 -10.474 -6.985 671 1HE2 GLN 87 HE21 GLN 87 10.734 -11.474 -6.517 672 2HE2 GLN 87 HE22 GLN 87 11.228 -13.021 -7.107 673 H GLU 88 HN GLU 88 5.499 -10.778 -8.583 674 HA GLU 88 HA GLU 88 6.743 -8.870 -10.065 675 1HB GLU 88 HB2 GLU 88 4.075 -10.172 -10.250 676 2HB GLU 88 HB1 GLU 88 4.379 -8.793 -11.297 677 1HG GLU 88 HG2 GLU 88 6.370 -9.921 -12.181 678 2HG GLU 88 HG1 GLU 88 6.018 -11.313 -11.158 679 H PHE 89 HN PHE 89 4.295 -8.340 -7.674 680 HA PHE 89 HA PHE 89 3.950 -5.572 -8.540 681 1HB PHE 89 HB2 PHE 89 1.916 -6.892 -8.068 682 2HB PHE 89 HB1 PHE 89 2.471 -7.140 -6.417 683 HD1 PHE 89 HD1 PHE 89 2.929 -4.975 -5.043 684 HD2 PHE 89 HD2 PHE 89 0.512 -5.136 -8.541 685 HE1 PHE 89 HE1 PHE 89 1.797 -2.904 -4.351 686 HE2 PHE 89 HE2 PHE 89 -0.625 -3.067 -7.856 687 HZ PHE 89 HZ PHE 89 0.018 -1.946 -5.758 688 H LEU 90 HN LEU 90 5.372 -7.502 -6.029 689 HA LEU 90 HA LEU 90 5.913 -5.131 -4.403 690 1HB LEU 90 HB2 LEU 90 5.868 -8.050 -3.924 691 2HB LEU 90 HB1 LEU 90 7.068 -7.141 -3.025 692 HG LEU 90 HG LEU 90 4.081 -6.712 -2.970 693 1HD1 LEU 90 HD11 LEU 90 4.125 -7.570 -0.789 694 2HD1 LEU 90 HD12 LEU 90 5.884 -7.479 -0.697 695 3HD1 LEU 90 HD13 LEU 90 5.116 -8.682 -1.734 696 1HD2 LEU 90 HD21 LEU 90 4.868 -4.563 -2.684 697 2HD2 LEU 90 HD22 LEU 90 6.359 -5.099 -1.910 698 3HD2 LEU 90 HD23 LEU 90 4.836 -5.156 -1.023 699 H LYS 91 HN LYS 91 7.874 -7.987 -5.243 700 HA LYS 91 HA LYS 91 10.268 -6.369 -5.217 701 1HB LYS 91 HB2 LYS 91 10.071 -9.277 -5.979 702 2HB LYS 91 HB1 LYS 91 11.479 -8.409 -5.387 703 1HG LYS 91 HG2 LYS 91 9.173 -8.398 -3.573 704 2HG LYS 91 HG1 LYS 91 9.889 -9.983 -3.869 705 1HD LYS 91 HD2 LYS 91 11.976 -9.321 -3.034 706 2HD LYS 91 HD1 LYS 91 11.580 -7.606 -3.160 707 1HE LYS 91 HE2 LYS 91 9.858 -9.248 -1.402 708 2HE LYS 91 HE1 LYS 91 11.509 -8.964 -0.852 709 1HZ LYS 91 HZ1 LYS 91 11.146 -6.743 -0.613 710 2HZ LYS 91 HZ2 LYS 91 9.581 -7.299 -0.294 711 3HZ LYS 91 HZ3 LYS 91 9.961 -6.673 -1.819 712 H LEU 92 HN LEU 92 8.019 -7.452 -7.570 713 HA LEU 92 HA LEU 92 7.937 -7.286 -9.830 714 1HB LEU 92 HB2 LEU 92 9.997 -5.208 -9.162 715 2HB LEU 92 HB1 LEU 92 9.513 -5.510 -10.820 716 HG LEU 92 HG LEU 92 8.373 -3.595 -9.505 717 1HD1 LEU 92 HD11 LEU 92 7.529 -3.989 -11.613 718 2HD1 LEU 92 HD12 LEU 92 6.123 -4.299 -10.594 719 3HD1 LEU 92 HD13 LEU 92 7.064 -5.647 -11.233 720 1HD2 LEU 92 HD21 LEU 92 7.794 -4.761 -7.494 721 2HD2 LEU 92 HD22 LEU 92 6.933 -6.006 -8.399 722 3HD2 LEU 92 HD23 LEU 92 6.300 -4.360 -8.341 723 H ALA 93 HN ALA 93 11.404 -6.658 -9.570 724 HA ALA 93 HA ALA 93 12.179 -9.314 -10.275 725 1HB ALA 93 HB1 ALA 93 12.947 -7.486 -12.457 726 2HB ALA 93 HB2 ALA 93 11.254 -7.980 -12.418 727 3HB ALA 93 HB3 ALA 93 12.526 -9.198 -12.503 728 H LEU 94 HN LEU 94 13.247 -5.940 -10.736 729 HA LEU 94 HA LEU 94 15.158 -4.854 -10.152 730 1HB LEU 94 HB2 LEU 94 14.304 -6.063 -7.908 731 2HB LEU 94 HB1 LEU 94 15.865 -6.844 -8.074 732 HG LEU 94 HG LEU 94 16.688 -4.335 -8.368 733 1HD1 LEU 94 HD11 LEU 94 14.317 -3.511 -8.212 734 2HD1 LEU 94 HD12 LEU 94 15.456 -2.762 -7.093 735 3HD1 LEU 94 HD13 LEU 94 14.339 -4.000 -6.518 736 1HD2 LEU 94 HD21 LEU 94 17.751 -5.385 -6.668 737 2HD2 LEU 94 HD22 LEU 94 16.263 -6.065 -6.010 738 3HD2 LEU 94 HD23 LEU 94 16.680 -4.381 -5.692 739 H GLU 95 HN GLU 95 16.453 -5.159 -11.906 740 HA GLU 95 HA GLU 95 18.523 -7.210 -11.631 741 1HB GLU 95 HB2 GLU 95 16.542 -6.992 -13.808 742 2HB GLU 95 HB1 GLU 95 18.208 -7.198 -14.333 743 1HG GLU 95 HG2 GLU 95 17.058 -8.998 -12.246 744 2HG GLU 95 HG1 GLU 95 16.713 -9.274 -13.953 Start of MODEL 20 1 1H MET 1 HT1 MET 1 18.525 -2.296 -1.085 2 2H MET 1 HT2 MET 1 19.925 -2.971 -1.812 3 3H MET 1 HT3 MET 1 18.373 -3.301 -2.465 4 HA MET 1 HA MET 1 19.442 -0.580 -2.265 5 1HB MET 1 HB2 MET 1 20.892 -2.319 -3.545 6 2HB MET 1 HB1 MET 1 19.603 -2.278 -4.740 7 1HG MET 1 HG2 MET 1 20.166 -0.231 -5.481 8 2HG MET 1 HG1 MET 1 20.632 0.341 -3.880 9 1HE MET 1 HE1 MET 1 22.051 -1.933 -7.006 10 2HE MET 1 HE2 MET 1 23.298 -0.706 -7.233 11 3HE MET 1 HE3 MET 1 21.598 -0.238 -7.182 12 H SER 2 HN SER 2 16.786 -1.649 -1.816 13 HA SER 2 HA SER 2 15.360 -0.011 -3.697 14 1HB SER 2 HB2 SER 2 14.969 -3.008 -3.695 15 2HB SER 2 HB1 SER 2 13.785 -1.880 -4.357 16 HG SER 2 HG SER 2 16.456 -2.292 -5.212 17 H GLY 3 HN GLY 3 13.319 0.586 -2.965 18 1HA GLY 3 HA2 GLY 3 12.317 -0.655 -0.512 19 2HA GLY 3 HA1 GLY 3 12.745 1.047 -0.436 20 H LEU 4 HN LEU 4 10.150 -0.142 0.000 21 HA LEU 4 HA LEU 4 8.665 1.142 -2.199 22 1HB LEU 4 HB2 LEU 4 8.178 -1.412 -0.740 23 2HB LEU 4 HB1 LEU 4 6.791 -0.482 -1.274 24 HG LEU 4 HG LEU 4 7.803 -0.538 -3.601 25 1HD1 LEU 4 HD11 LEU 4 10.060 -1.100 -3.151 26 2HD1 LEU 4 HD12 LEU 4 9.346 -2.492 -3.966 27 3HD1 LEU 4 HD13 LEU 4 9.592 -2.523 -2.220 28 1HD2 LEU 4 HD21 LEU 4 7.299 -3.345 -2.849 29 2HD2 LEU 4 HD22 LEU 4 6.532 -2.341 -4.080 30 3HD2 LEU 4 HD23 LEU 4 6.056 -2.181 -2.390 31 H ARG 5 HN ARG 5 6.894 2.414 -1.659 32 HA ARG 5 HA ARG 5 6.715 3.133 1.193 33 1HB ARG 5 HB2 ARG 5 5.862 4.924 -1.067 34 2HB ARG 5 HB1 ARG 5 6.251 5.361 0.590 35 1HG ARG 5 HG2 ARG 5 8.561 5.107 0.226 36 2HG ARG 5 HG1 ARG 5 8.305 4.254 -1.298 37 1HD ARG 5 HD2 ARG 5 9.035 6.543 -1.696 38 2HD ARG 5 HD1 ARG 5 7.393 6.296 -2.287 39 HE ARG 5 HE ARG 5 7.171 7.274 0.293 40 1HH1 ARG 5 HH11 ARG 5 8.456 8.361 -2.764 41 2HH1 ARG 5 HH12 ARG 5 8.166 10.035 -2.433 42 1HH2 ARG 5 HH21 ARG 5 6.788 9.477 0.730 43 2HH2 ARG 5 HH22 ARG 5 7.219 10.669 -0.449 44 H VAL 6 HN VAL 6 4.969 2.264 2.092 45 HA VAL 6 HA VAL 6 2.542 1.923 0.484 46 HB VAL 6 HB VAL 6 3.109 0.818 3.236 47 1HG1 VAL 6 HG11 VAL 6 1.293 -0.801 2.516 48 2HG1 VAL 6 HG12 VAL 6 0.950 0.325 1.202 49 3HG1 VAL 6 HG13 VAL 6 0.779 0.847 2.878 50 1HG2 VAL 6 HG21 VAL 6 3.695 -1.262 2.194 51 2HG2 VAL 6 HG22 VAL 6 4.709 0.008 1.508 52 3HG2 VAL 6 HG23 VAL 6 3.335 -0.615 0.593 53 H TYR 7 HN TYR 7 0.880 3.253 0.714 54 HA TYR 7 HA TYR 7 0.916 5.311 2.729 55 1HB TYR 7 HB2 TYR 7 -0.797 4.672 0.359 56 2HB TYR 7 HB1 TYR 7 -1.412 5.778 1.580 57 HD1 TYR 7 HD1 TYR 7 -0.190 7.906 2.036 58 HD2 TYR 7 HD2 TYR 7 0.858 5.355 -1.204 59 HE1 TYR 7 HE1 TYR 7 1.045 9.755 0.987 60 HE2 TYR 7 HE2 TYR 7 2.098 7.197 -2.260 61 HH TYR 7 HH TYR 7 3.175 9.747 -0.835 62 H SER 8 HN SER 8 -0.612 5.645 4.348 63 HA SER 8 HA SER 8 -2.695 3.703 4.817 64 1HB SER 8 HB2 SER 8 -0.524 2.718 5.760 65 2HB SER 8 HB1 SER 8 -0.600 4.001 6.968 66 HG SER 8 HG SER 8 -2.273 3.057 7.890 67 H THR 9 HN THR 9 -3.723 4.209 7.079 68 HA THR 9 HA THR 9 -3.625 7.101 7.580 69 HB THR 9 HB THR 9 -5.537 6.645 6.103 70 HG1 THR 9 HG1 THR 9 -6.221 7.288 8.776 71 1HG2 THR 9 HG21 THR 9 -7.315 5.251 6.610 72 2HG2 THR 9 HG22 THR 9 -6.829 5.082 8.297 73 3HG2 THR 9 HG23 THR 9 -5.900 4.284 7.028 74 H SER 10 HN SER 10 -2.854 7.201 9.593 75 HA SER 10 HA SER 10 -3.102 5.226 11.558 76 1HB SER 10 HB2 SER 10 -2.372 7.004 13.145 77 2HB SER 10 HB1 SER 10 -1.369 6.919 11.698 78 HG SER 10 HG SER 10 -3.513 8.737 12.087 79 H VAL 11 HN VAL 11 -5.085 8.054 10.854 80 HA VAL 11 HA VAL 11 -6.835 7.484 13.114 81 HB VAL 11 HB VAL 11 -7.130 9.659 11.040 82 1HG1 VAL 11 HG11 VAL 11 -8.166 9.848 13.821 83 2HG1 VAL 11 HG12 VAL 11 -9.040 8.841 12.667 84 3HG1 VAL 11 HG13 VAL 11 -8.791 10.554 12.330 85 1HG2 VAL 11 HG21 VAL 11 -5.651 9.642 13.661 86 2HG2 VAL 11 HG22 VAL 11 -6.166 11.124 12.856 87 3HG2 VAL 11 HG23 VAL 11 -5.026 10.039 12.061 88 H THR 12 HN THR 12 -7.649 5.459 12.372 89 HA THR 12 HA THR 12 -9.216 5.434 9.922 90 HB THR 12 HB THR 12 -8.833 3.229 11.954 91 HG1 THR 12 HG1 THR 12 -7.428 3.625 9.528 92 1HG2 THR 12 HG21 THR 12 -10.476 2.329 10.704 93 2HG2 THR 12 HG22 THR 12 -9.125 1.955 9.634 94 3HG2 THR 12 HG23 THR 12 -10.140 3.361 9.315 95 H GLY 13 HN GLY 13 -11.426 5.262 9.806 96 1HA GLY 13 HA2 GLY 13 -12.997 4.987 12.232 97 2HA GLY 13 HA1 GLY 13 -13.091 6.561 11.459 98 H SER 14 HN SER 14 -12.667 3.725 9.506 99 HA SER 14 HA SER 14 -15.431 4.033 8.551 100 1HB SER 14 HB2 SER 14 -13.132 4.215 7.095 101 2HB SER 14 HB1 SER 14 -13.553 2.518 6.864 102 HG SER 14 HG SER 14 -14.834 4.805 5.976 103 H ARG 15 HN ARG 15 -13.108 1.814 9.842 104 HA ARG 15 HA ARG 15 -13.461 -0.196 10.859 105 1HB ARG 15 HB2 ARG 15 -16.168 -0.391 9.589 106 2HB ARG 15 HB1 ARG 15 -15.584 -1.251 11.007 107 1HG ARG 15 HG2 ARG 15 -16.145 0.410 12.389 108 2HG ARG 15 HG1 ARG 15 -15.513 1.650 11.305 109 1HD ARG 15 HD2 ARG 15 -17.900 0.420 10.229 110 2HD ARG 15 HD1 ARG 15 -18.189 1.085 11.835 111 HE ARG 15 HE ARG 15 -16.849 3.056 10.492 112 1HH1 ARG 15 HH11 ARG 15 -19.792 1.257 9.958 113 2HH1 ARG 15 HH12 ARG 15 -20.575 2.548 9.110 114 1HH2 ARG 15 HH21 ARG 15 -17.877 4.755 9.376 115 2HH2 ARG 15 HH22 ARG 15 -19.488 4.533 8.778 116 H GLU 16 HN GLU 16 -13.801 0.455 7.652 117 HA GLU 16 HA GLU 16 -13.384 -2.313 6.809 118 1HB GLU 16 HB2 GLU 16 -15.146 -1.004 5.653 119 2HB GLU 16 HB1 GLU 16 -13.920 0.138 5.120 120 1HG GLU 16 HG2 GLU 16 -13.762 -1.098 3.287 121 2HG GLU 16 HG1 GLU 16 -12.921 -2.283 4.285 122 H ILE 17 HN ILE 17 -11.881 0.838 6.936 123 HA ILE 17 HA ILE 17 -9.708 0.366 5.216 124 HB ILE 17 HB ILE 17 -9.490 2.073 7.682 125 1HG1 ILE 17 HG12 ILE 17 -11.590 2.755 6.794 126 2HG1 ILE 17 HG11 ILE 17 -10.416 3.932 6.220 127 1HG2 ILE 17 HG21 ILE 17 -8.464 2.765 4.968 128 2HG2 ILE 17 HG22 ILE 17 -7.600 1.585 5.954 129 3HG2 ILE 17 HG23 ILE 17 -7.849 3.224 6.556 130 1HD1 ILE 17 HD11 ILE 17 -11.376 1.599 4.587 131 2HD1 ILE 17 HD12 ILE 17 -10.411 2.971 4.043 132 3HD1 ILE 17 HD13 ILE 17 -12.090 3.210 4.529 133 H LYS 18 HN LYS 18 -10.247 -0.438 8.586 134 HA LYS 18 HA LYS 18 -7.607 -1.112 9.279 135 1HB LYS 18 HB2 LYS 18 -10.155 -2.325 10.365 136 2HB LYS 18 HB1 LYS 18 -8.582 -2.318 11.150 137 1HG LYS 18 HG2 LYS 18 -8.719 -0.096 11.716 138 2HG LYS 18 HG1 LYS 18 -9.854 0.275 10.417 139 1HD LYS 18 HD2 LYS 18 -11.599 -0.066 11.759 140 2HD LYS 18 HD1 LYS 18 -10.988 -1.650 12.240 141 1HE LYS 18 HE2 LYS 18 -9.576 -0.617 13.926 142 2HE LYS 18 HE1 LYS 18 -10.109 0.985 13.416 143 1HZ LYS 18 HZ1 LYS 18 -11.220 -0.363 15.417 144 2HZ LYS 18 HZ2 LYS 18 -12.213 -0.878 14.149 145 3HZ LYS 18 HZ3 LYS 18 -12.061 0.773 14.486 146 H SER 19 HN SER 19 -10.260 -3.070 7.967 147 HA SER 19 HA SER 19 -8.965 -5.551 8.030 148 1HB SER 19 HB2 SER 19 -11.452 -4.798 7.377 149 2HB SER 19 HB1 SER 19 -10.792 -4.979 5.752 150 HG SER 19 HG SER 19 -11.583 -6.880 7.454 151 H GLN 20 HN GLN 20 -8.732 -2.880 5.802 152 HA GLN 20 HA GLN 20 -7.159 -4.429 3.903 153 1HB GLN 20 HB2 GLN 20 -8.350 -1.682 3.925 154 2HB GLN 20 HB1 GLN 20 -7.034 -2.041 2.816 155 1HG GLN 20 HG2 GLN 20 -9.313 -2.287 1.850 156 2HG GLN 20 HG1 GLN 20 -8.300 -3.724 1.724 157 1HE2 GLN 20 HE21 GLN 20 -11.211 -2.405 2.898 158 2HE2 GLN 20 HE22 GLN 20 -11.812 -3.823 3.682 159 H GLN 21 HN GLN 21 -6.744 -2.108 6.456 160 HA GLN 21 HA GLN 21 -4.053 -1.395 5.760 161 1HB GLN 21 HB2 GLN 21 -5.763 -0.036 7.140 162 2HB GLN 21 HB1 GLN 21 -5.273 -1.055 8.486 163 1HG GLN 21 HG2 GLN 21 -2.876 -0.326 7.856 164 2HG GLN 21 HG1 GLN 21 -3.683 0.974 6.980 165 1HE2 GLN 21 HE21 GLN 21 -5.776 1.550 8.627 166 2HE2 GLN 21 HE22 GLN 21 -5.191 2.165 10.132 167 H SER 22 HN SER 22 -5.546 -3.479 8.221 168 HA SER 22 HA SER 22 -3.080 -4.344 9.335 169 1HB SER 22 HB2 SER 22 -5.761 -5.743 9.458 170 2HB SER 22 HB1 SER 22 -4.403 -5.961 10.562 171 HG SER 22 HG SER 22 -6.096 -4.524 11.320 172 H GLU 23 HN GLU 23 -5.235 -5.645 6.861 173 HA GLU 23 HA GLU 23 -4.058 -8.156 6.543 174 1HB GLU 23 HB2 GLU 23 -6.203 -7.527 5.528 175 2HB GLU 23 HB1 GLU 23 -5.372 -6.419 4.445 176 1HG GLU 23 HG2 GLU 23 -4.746 -8.050 3.051 177 2HG GLU 23 HG1 GLU 23 -4.366 -9.165 4.362 178 H VAL 24 HN VAL 24 -3.366 -5.108 4.844 179 HA VAL 24 HA VAL 24 -1.298 -6.156 3.226 180 HB VAL 24 HB VAL 24 -1.634 -3.286 4.106 181 1HG1 VAL 24 HG11 VAL 24 0.449 -3.428 3.081 182 2HG1 VAL 24 HG12 VAL 24 -0.619 -2.954 1.760 183 3HG1 VAL 24 HG13 VAL 24 -0.098 -4.632 1.914 184 1HG2 VAL 24 HG21 VAL 24 -3.577 -4.686 2.891 185 2HG2 VAL 24 HG22 VAL 24 -2.650 -4.177 1.480 186 3HG2 VAL 24 HG23 VAL 24 -3.290 -2.971 2.597 187 H THR 25 HN THR 25 -1.368 -4.886 6.478 188 HA THR 25 HA THR 25 1.501 -4.644 6.674 189 HB THR 25 HB THR 25 1.079 -4.088 9.025 190 HG1 THR 25 HG1 THR 25 -0.590 -5.255 9.699 191 1HG2 THR 25 HG21 THR 25 0.813 -2.102 8.001 192 2HG2 THR 25 HG22 THR 25 -0.855 -2.319 8.531 193 3HG2 THR 25 HG23 THR 25 -0.398 -2.717 6.875 194 H ARG 26 HN ARG 26 -0.947 -7.010 7.461 195 HA ARG 26 HA ARG 26 0.579 -8.613 9.205 196 1HB ARG 26 HB2 ARG 26 -2.009 -8.665 8.122 197 2HB ARG 26 HB1 ARG 26 -1.264 -10.175 7.617 198 1HG ARG 26 HG2 ARG 26 -0.587 -10.444 10.070 199 2HG ARG 26 HG1 ARG 26 -1.760 -9.165 10.393 200 1HD ARG 26 HD2 ARG 26 -3.236 -10.846 10.551 201 2HD ARG 26 HD1 ARG 26 -3.197 -10.828 8.789 202 HE ARG 26 HE ARG 26 -1.145 -12.484 9.840 203 1HH1 ARG 26 HH11 ARG 26 -4.583 -12.385 9.245 204 2HH1 ARG 26 HH12 ARG 26 -4.735 -14.104 9.105 205 1HH2 ARG 26 HH21 ARG 26 -1.343 -14.746 9.656 206 2HH2 ARG 26 HH22 ARG 26 -2.896 -15.445 9.338 207 H ILE 27 HN ILE 27 0.190 -8.640 5.692 208 HA ILE 27 HA ILE 27 1.780 -10.990 5.310 209 HB ILE 27 HB ILE 27 1.116 -8.886 3.252 210 1HG1 ILE 27 HG12 ILE 27 -0.460 -11.372 3.955 211 2HG1 ILE 27 HG11 ILE 27 -0.908 -9.741 4.441 212 1HG2 ILE 27 HG21 ILE 27 2.515 -10.185 2.069 213 2HG2 ILE 27 HG22 ILE 27 1.134 -11.277 1.974 214 3HG2 ILE 27 HG23 ILE 27 2.379 -11.535 3.196 215 1HD1 ILE 27 HD11 ILE 27 -1.741 -9.240 2.427 216 2HD1 ILE 27 HD12 ILE 27 -1.811 -10.991 2.224 217 3HD1 ILE 27 HD13 ILE 27 -0.450 -10.081 1.568 218 H LEU 28 HN LEU 28 2.345 -7.529 4.657 219 HA LEU 28 HA LEU 28 4.996 -7.758 3.815 220 1HB LEU 28 HB2 LEU 28 3.684 -5.460 5.266 221 2HB LEU 28 HB1 LEU 28 5.195 -5.372 4.384 222 HG LEU 28 HG LEU 28 2.636 -6.185 3.033 223 1HD1 LEU 28 HD11 LEU 28 3.724 -3.382 3.213 224 2HD1 LEU 28 HD12 LEU 28 2.349 -3.979 4.142 225 3HD1 LEU 28 HD13 LEU 28 2.262 -3.912 2.382 226 1HD2 LEU 28 HD21 LEU 28 3.931 -5.135 1.090 227 2HD2 LEU 28 HD22 LEU 28 4.475 -6.702 1.687 228 3HD2 LEU 28 HD23 LEU 28 5.340 -5.236 2.146 229 H ASP 29 HN ASP 29 3.702 -7.094 7.057 230 HA ASP 29 HA ASP 29 6.157 -6.861 8.383 231 1HB ASP 29 HB2 ASP 29 3.904 -6.233 9.309 232 2HB ASP 29 HB1 ASP 29 3.594 -7.948 9.565 233 H GLY 30 HN GLY 30 3.997 -9.687 8.102 234 1HA GLY 30 HA2 GLY 30 5.638 -11.515 9.443 235 2HA GLY 30 HA1 GLY 30 4.435 -11.938 8.232 236 H LYS 31 HN LYS 31 5.761 -10.314 6.169 237 HA LYS 31 HA LYS 31 7.530 -12.324 5.177 238 1HB LYS 31 HB2 LYS 31 6.464 -9.727 4.186 239 2HB LYS 31 HB1 LYS 31 7.926 -10.349 3.434 240 1HG LYS 31 HG2 LYS 31 6.849 -12.082 2.443 241 2HG LYS 31 HG1 LYS 31 5.655 -12.224 3.735 242 1HD LYS 31 HD2 LYS 31 4.309 -10.574 2.855 243 2HD LYS 31 HD1 LYS 31 5.644 -9.794 2.003 244 1HE LYS 31 HE2 LYS 31 4.619 -12.518 1.249 245 2HE LYS 31 HE1 LYS 31 3.934 -11.036 0.584 246 1HZ LYS 31 HZ1 LYS 31 6.482 -10.582 0.111 247 2HZ LYS 31 HZ2 LYS 31 5.505 -11.437 -0.974 248 3HZ LYS 31 HZ3 LYS 31 6.527 -12.274 0.083 249 H ARG 32 HN ARG 32 7.967 -9.715 7.270 250 HA ARG 32 HA ARG 32 9.810 -8.806 8.242 251 1HB ARG 32 HB2 ARG 32 11.497 -10.772 6.702 252 2HB ARG 32 HB1 ARG 32 11.860 -10.003 8.241 253 1HG ARG 32 HG2 ARG 32 11.117 -11.851 9.216 254 2HG ARG 32 HG1 ARG 32 9.497 -11.364 8.717 255 1HD ARG 32 HD2 ARG 32 9.358 -13.114 7.356 256 2HD ARG 32 HD1 ARG 32 10.818 -12.606 6.509 257 HE ARG 32 HE ARG 32 11.510 -13.879 8.927 258 1HH1 ARG 32 HH11 ARG 32 10.245 -14.594 5.754 259 2HH1 ARG 32 HH12 ARG 32 10.868 -16.209 5.733 260 1HH2 ARG 32 HH21 ARG 32 12.331 -16.004 8.901 261 2HH2 ARG 32 HH22 ARG 32 12.052 -17.010 7.519 262 H ILE 33 HN ILE 33 8.813 -7.557 6.009 263 HA ILE 33 HA ILE 33 10.980 -6.925 4.211 264 HB ILE 33 HB ILE 33 8.275 -5.602 4.399 265 1HG1 ILE 33 HG12 ILE 33 9.168 -7.973 2.744 266 2HG1 ILE 33 HG11 ILE 33 7.994 -8.001 4.055 267 1HG2 ILE 33 HG21 ILE 33 8.758 -5.111 1.979 268 2HG2 ILE 33 HG22 ILE 33 10.408 -5.658 2.275 269 3HG2 ILE 33 HG23 ILE 33 9.775 -4.258 3.140 270 1HD1 ILE 33 HD11 ILE 33 7.613 -6.374 1.564 271 2HD1 ILE 33 HD12 ILE 33 6.416 -6.790 2.790 272 3HD1 ILE 33 HD13 ILE 33 7.059 -8.041 1.726 273 H GLN 34 HN GLN 34 11.682 -4.743 3.843 274 HA GLN 34 HA GLN 34 11.746 -3.153 6.324 275 1HB GLN 34 HB2 GLN 34 13.824 -3.134 4.133 276 2HB GLN 34 HB1 GLN 34 13.945 -2.403 5.728 277 1HG GLN 34 HG2 GLN 34 13.444 -5.295 5.718 278 2HG GLN 34 HG1 GLN 34 14.998 -4.795 5.050 279 1HE2 GLN 34 HE21 GLN 34 12.918 -3.913 7.793 280 2HE2 GLN 34 HE22 GLN 34 14.184 -3.907 8.969 281 H TYR 35 HN TYR 35 9.594 -2.681 4.848 282 HA TYR 35 HA TYR 35 10.174 -0.410 3.093 283 1HB TYR 35 HB2 TYR 35 8.013 -0.676 2.181 284 2HB TYR 35 HB1 TYR 35 8.609 -2.315 2.411 285 HD1 TYR 35 HD1 TYR 35 7.874 -3.526 4.579 286 HD2 TYR 35 HD2 TYR 35 5.952 -0.048 3.061 287 HE1 TYR 35 HE1 TYR 35 5.873 -4.062 5.902 288 HE2 TYR 35 HE2 TYR 35 3.945 -0.575 4.381 289 HH TYR 35 HH TYR 35 3.401 -3.554 5.791 290 H GLN 36 HN GLN 36 8.903 1.554 3.298 291 HA GLN 36 HA GLN 36 8.527 2.270 6.105 292 1HB GLN 36 HB2 GLN 36 8.382 4.610 5.179 293 2HB GLN 36 HB1 GLN 36 9.919 3.797 4.916 294 1HG GLN 36 HG2 GLN 36 8.037 3.390 2.738 295 2HG GLN 36 HG1 GLN 36 8.417 5.089 3.015 296 1HE2 GLN 36 HE21 GLN 36 10.146 5.843 2.033 297 2HE2 GLN 36 HE22 GLN 36 11.472 4.908 1.441 298 H LEU 37 HN LEU 37 6.699 4.131 6.257 299 HA LEU 37 HA LEU 37 4.301 3.157 4.881 300 1HB LEU 37 HB2 LEU 37 4.568 2.240 7.235 301 2HB LEU 37 HB1 LEU 37 4.330 3.880 7.803 302 HG LEU 37 HG LEU 37 2.264 2.843 5.959 303 1HD1 LEU 37 HD11 LEU 37 2.149 0.884 7.085 304 2HD1 LEU 37 HD12 LEU 37 1.239 1.872 8.227 305 3HD1 LEU 37 HD13 LEU 37 2.945 1.532 8.519 306 1HD2 LEU 37 HD21 LEU 37 1.017 3.877 8.129 307 2HD2 LEU 37 HD22 LEU 37 1.534 4.823 6.733 308 3HD2 LEU 37 HD23 LEU 37 2.548 4.753 8.174 309 H VAL 38 HN VAL 38 4.101 4.904 3.580 310 HA VAL 38 HA VAL 38 4.376 7.583 4.600 311 HB VAL 38 HB VAL 38 3.440 8.206 2.298 312 1HG1 VAL 38 HG11 VAL 38 5.862 8.139 3.003 313 2HG1 VAL 38 HG12 VAL 38 5.560 7.974 1.274 314 3HG1 VAL 38 HG13 VAL 38 5.952 6.551 2.239 315 1HG2 VAL 38 HG21 VAL 38 2.790 6.639 0.848 316 2HG2 VAL 38 HG22 VAL 38 2.792 5.519 2.210 317 3HG2 VAL 38 HG23 VAL 38 4.208 5.643 1.167 318 H ASP 39 HN ASP 39 2.803 7.399 6.288 319 HA ASP 39 HA ASP 39 0.023 7.067 5.625 320 1HB ASP 39 HB2 ASP 39 1.303 6.596 7.885 321 2HB ASP 39 HB1 ASP 39 0.914 8.282 8.209 322 H ILE 40 HN ILE 40 -1.371 8.572 5.013 323 HA ILE 40 HA ILE 40 -0.477 11.317 4.757 324 HB ILE 40 HB ILE 40 -2.560 11.679 3.512 325 1HG1 ILE 40 HG12 ILE 40 -3.108 8.765 4.127 326 2HG1 ILE 40 HG11 ILE 40 -4.008 10.139 4.762 327 1HG2 ILE 40 HG21 ILE 40 -0.372 10.212 2.729 328 2HG2 ILE 40 HG22 ILE 40 -1.611 10.870 1.660 329 3HG2 ILE 40 HG23 ILE 40 -1.727 9.203 2.223 330 1HD1 ILE 40 HD11 ILE 40 -4.033 10.405 1.971 331 2HD1 ILE 40 HD12 ILE 40 -5.372 9.973 3.034 332 3HD1 ILE 40 HD13 ILE 40 -4.371 8.709 2.318 333 H SER 41 HN SER 41 -2.318 9.486 6.975 334 HA SER 41 HA SER 41 -4.194 11.362 7.860 335 1HB SER 41 HB2 SER 41 -3.810 8.833 8.499 336 2HB SER 41 HB1 SER 41 -2.869 9.527 9.818 337 HG SER 41 HG SER 41 -4.829 10.854 10.194 338 H GLN 42 HN GLN 42 -0.772 11.112 8.407 339 HA GLN 42 HA GLN 42 -0.515 12.646 10.731 340 1HB GLN 42 HB2 GLN 42 1.307 11.323 9.679 341 2HB GLN 42 HB1 GLN 42 1.401 12.520 8.396 342 1HG GLN 42 HG2 GLN 42 1.608 13.638 11.089 343 2HG GLN 42 HG1 GLN 42 2.903 12.519 10.664 344 1HE2 GLN 42 HE21 GLN 42 2.893 15.445 11.075 345 2HE2 GLN 42 HE22 GLN 42 3.564 16.113 9.630 346 H ASP 43 HN ASP 43 0.198 13.783 7.430 347 HA ASP 43 HA ASP 43 -0.723 16.457 8.257 348 1HB ASP 43 HB2 ASP 43 1.635 15.543 6.776 349 2HB ASP 43 HB1 ASP 43 0.781 16.864 5.985 350 H ASN 44 HN ASN 44 -2.334 17.398 7.159 351 HA ASN 44 HA ASN 44 -3.993 15.961 5.449 352 1HB ASN 44 HB2 ASN 44 -4.950 18.258 4.875 353 2HB ASN 44 HB1 ASN 44 -4.950 17.804 6.577 354 1HD2 ASN 44 HD21 ASN 44 -3.609 18.864 8.001 355 2HD2 ASN 44 HD22 ASN 44 -2.784 20.326 7.595 356 H ALA 45 HN ALA 45 -1.143 17.803 4.766 357 HA ALA 45 HA ALA 45 -1.557 18.394 2.060 358 1HB ALA 45 HB1 ALA 45 0.369 19.030 3.767 359 2HB ALA 45 HB2 ALA 45 0.616 19.072 2.021 360 3HB ALA 45 HB3 ALA 45 1.180 17.689 2.959 361 H LEU 46 HN LEU 46 -0.249 15.519 3.633 362 HA LEU 46 HA LEU 46 0.558 14.168 1.300 363 1HB LEU 46 HB2 LEU 46 -0.218 13.224 4.048 364 2HB LEU 46 HB1 LEU 46 0.242 12.097 2.785 365 HG LEU 46 HG LEU 46 2.313 13.924 2.761 366 1HD1 LEU 46 HD11 LEU 46 1.075 14.542 5.069 367 2HD1 LEU 46 HD12 LEU 46 2.815 14.686 4.819 368 3HD1 LEU 46 HD13 LEU 46 2.154 13.263 5.626 369 1HD2 LEU 46 HD21 LEU 46 2.997 11.769 2.553 370 2HD2 LEU 46 HD22 LEU 46 1.876 11.177 3.778 371 3HD2 LEU 46 HD23 LEU 46 3.363 11.991 4.264 372 H ARG 47 HN ARG 47 -2.533 14.485 2.894 373 HA ARG 47 HA ARG 47 -3.882 12.364 1.627 374 1HB ARG 47 HB2 ARG 47 -4.705 13.622 3.624 375 2HB ARG 47 HB1 ARG 47 -5.065 14.981 2.568 376 1HG ARG 47 HG2 ARG 47 -6.397 13.038 1.279 377 2HG ARG 47 HG1 ARG 47 -6.493 12.432 2.934 378 1HD ARG 47 HD2 ARG 47 -7.333 14.688 3.619 379 2HD ARG 47 HD1 ARG 47 -7.406 15.116 1.910 380 HE ARG 47 HE ARG 47 -9.306 13.854 1.707 381 1HH1 ARG 47 HH11 ARG 47 -7.737 13.062 4.722 382 2HH1 ARG 47 HH12 ARG 47 -9.054 12.096 5.297 383 1HH2 ARG 47 HH21 ARG 47 -11.039 12.584 2.462 384 2HH2 ARG 47 HH22 ARG 47 -10.929 11.824 4.015 385 H ASP 48 HN ASP 48 -3.798 15.840 0.830 386 HA ASP 48 HA ASP 48 -5.102 15.342 -1.691 387 1HB ASP 48 HB2 ASP 48 -4.689 17.611 0.001 388 2HB ASP 48 HB1 ASP 48 -4.118 17.992 -1.620 389 H GLU 49 HN GLU 49 -2.099 14.881 -0.707 390 HA GLU 49 HA GLU 49 -0.808 15.791 -3.177 391 1HB GLU 49 HB2 GLU 49 0.352 16.385 -1.108 392 2HB GLU 49 HB1 GLU 49 0.383 14.697 -0.618 393 1HG GLU 49 HG2 GLU 49 2.418 14.655 -1.511 394 2HG GLU 49 HG1 GLU 49 1.591 14.609 -3.067 395 H MET 50 HN MET 50 -1.598 12.969 -1.274 396 HA MET 50 HA MET 50 -0.265 11.093 -2.979 397 1HB MET 50 HB2 MET 50 -0.681 10.574 -0.626 398 2HB MET 50 HB1 MET 50 -2.415 10.703 -0.886 399 1HG MET 50 HG2 MET 50 -0.973 8.783 -2.594 400 2HG MET 50 HG1 MET 50 -1.085 8.386 -0.880 401 1HE MET 50 HE1 MET 50 -3.071 8.451 0.438 402 2HE MET 50 HE2 MET 50 -4.576 7.701 -0.094 403 3HE MET 50 HE3 MET 50 -4.386 9.453 -0.175 404 H ARG 51 HN ARG 51 -3.478 12.448 -2.692 405 HA ARG 51 HA ARG 51 -4.753 10.685 -4.524 406 1HB ARG 51 HB2 ARG 51 -5.449 13.380 -3.384 407 2HB ARG 51 HB1 ARG 51 -6.454 12.623 -4.612 408 1HG ARG 51 HG2 ARG 51 -6.148 10.606 -2.790 409 2HG ARG 51 HG1 ARG 51 -6.206 12.041 -1.764 410 1HD ARG 51 HD2 ARG 51 -8.382 12.373 -2.168 411 2HD ARG 51 HD1 ARG 51 -8.198 12.060 -3.892 412 HE ARG 51 HE ARG 51 -8.844 9.889 -3.538 413 1HH1 ARG 51 HH11 ARG 51 -8.096 11.371 -0.468 414 2HH1 ARG 51 HH12 ARG 51 -8.716 10.049 0.463 415 1HH2 ARG 51 HH21 ARG 51 -9.661 8.150 -2.315 416 2HH2 ARG 51 HH22 ARG 51 -9.604 8.220 -0.586 417 H ALA 52 HN ALA 52 -3.309 13.911 -4.805 418 HA ALA 52 HA ALA 52 -3.969 14.465 -7.450 419 1HB ALA 52 HB1 ALA 52 -2.705 15.860 -5.596 420 2HB ALA 52 HB2 ALA 52 -2.505 16.215 -7.312 421 3HB ALA 52 HB3 ALA 52 -1.284 15.271 -6.458 422 H LEU 53 HN LEU 53 -1.116 12.799 -6.144 423 HA LEU 53 HA LEU 53 -0.064 12.203 -8.748 424 1HB LEU 53 HB2 LEU 53 0.660 11.079 -6.040 425 2HB LEU 53 HB1 LEU 53 1.572 10.831 -7.517 426 HG LEU 53 HG LEU 53 1.083 13.599 -6.467 427 1HD1 LEU 53 HD11 LEU 53 2.123 12.836 -4.587 428 2HD1 LEU 53 HD12 LEU 53 3.536 13.196 -5.579 429 3HD1 LEU 53 HD13 LEU 53 2.957 11.536 -5.440 430 1HD2 LEU 53 HD21 LEU 53 1.923 13.310 -8.761 431 2HD2 LEU 53 HD22 LEU 53 3.297 12.403 -8.128 432 3HD2 LEU 53 HD23 LEU 53 3.098 14.105 -7.714 433 H ALA 54 HN ALA 54 -2.320 10.755 -6.593 434 HA ALA 54 HA ALA 54 -2.093 8.064 -7.477 435 1HB ALA 54 HB1 ALA 54 -4.334 7.806 -6.398 436 2HB ALA 54 HB2 ALA 54 -4.313 9.538 -6.072 437 3HB ALA 54 HB3 ALA 54 -3.091 8.489 -5.352 438 H GLY 55 HN GLY 55 -3.736 10.876 -8.701 439 1HA GLY 55 HA2 GLY 55 -4.922 11.212 -10.642 440 2HA GLY 55 HA1 GLY 55 -4.283 9.670 -11.196 441 H ASN 56 HN ASN 56 -6.390 10.432 -8.446 442 HA ASN 56 HA ASN 56 -8.849 9.789 -9.441 443 1HB ASN 56 HB2 ASN 56 -8.976 7.369 -8.407 444 2HB ASN 56 HB1 ASN 56 -8.434 7.597 -10.063 445 1HD2 ASN 56 HD21 ASN 56 -7.090 7.580 -6.782 446 2HD2 ASN 56 HD22 ASN 56 -5.682 6.663 -7.182 447 HA PRO 57 HA PRO 57 -9.237 11.021 -5.231 448 1HB PRO 57 HB2 PRO 57 -11.799 12.054 -5.841 449 2HB PRO 57 HB1 PRO 57 -10.287 12.941 -5.722 450 1HG PRO 57 HG2 PRO 57 -11.774 12.586 -8.033 451 2HG PRO 57 HG1 PRO 57 -10.067 13.055 -7.969 452 1HD PRO 57 HD2 PRO 57 -11.283 10.375 -8.453 453 2HD PRO 57 HD1 PRO 57 -9.837 11.115 -9.175 454 H LYS 58 HN LYS 58 -10.146 8.336 -6.319 455 HA LYS 58 HA LYS 58 -12.326 7.881 -4.395 456 1HB LYS 58 HB2 LYS 58 -11.807 6.620 -7.081 457 2HB LYS 58 HB1 LYS 58 -12.836 5.852 -5.879 458 1HG LYS 58 HG2 LYS 58 -14.487 6.988 -6.858 459 2HG LYS 58 HG1 LYS 58 -13.866 8.372 -5.955 460 1HD LYS 58 HD2 LYS 58 -12.322 8.743 -7.970 461 2HD LYS 58 HD1 LYS 58 -13.395 7.636 -8.828 462 1HE LYS 58 HE2 LYS 58 -14.240 9.763 -9.316 463 2HE LYS 58 HE1 LYS 58 -15.295 9.152 -8.043 464 1HZ LYS 58 HZ1 LYS 58 -12.956 10.867 -7.454 465 2HZ LYS 58 HZ2 LYS 58 -14.280 10.522 -6.459 466 3HZ LYS 58 HZ3 LYS 58 -14.477 11.517 -7.812 467 H ALA 59 HN ALA 59 -9.105 7.313 -5.092 468 HA ALA 59 HA ALA 59 -8.665 4.661 -4.388 469 1HB ALA 59 HB1 ALA 59 -6.982 6.266 -5.313 470 2HB ALA 59 HB2 ALA 59 -6.397 5.274 -3.980 471 3HB ALA 59 HB3 ALA 59 -6.841 6.957 -3.697 472 H THR 60 HN THR 60 -6.965 4.606 -2.227 473 HA THR 60 HA THR 60 -8.342 5.642 0.099 474 HB THR 60 HB THR 60 -8.315 3.178 1.022 475 HG1 THR 60 HG1 THR 60 -8.704 2.718 -1.743 476 1HG2 THR 60 HG21 THR 60 -10.327 4.739 0.377 477 2HG2 THR 60 HG22 THR 60 -10.564 3.030 0.745 478 3HG2 THR 60 HG23 THR 60 -10.507 3.572 -0.932 479 HA PRO 61 HA PRO 61 -4.505 5.744 2.241 480 1HB PRO 61 HB2 PRO 61 -5.436 3.493 3.977 481 2HB PRO 61 HB1 PRO 61 -4.684 5.026 4.430 482 1HG PRO 61 HG2 PRO 61 -7.312 4.676 4.687 483 2HG PRO 61 HG1 PRO 61 -6.644 6.228 4.151 484 1HD PRO 61 HD2 PRO 61 -8.069 4.143 2.592 485 2HD PRO 61 HD1 PRO 61 -8.002 5.896 2.336 486 HA PRO 62 HA PRO 62 -2.986 1.134 1.778 487 1HB PRO 62 HB2 PRO 62 -5.111 -0.073 0.129 488 2HB PRO 62 HB1 PRO 62 -4.301 -0.713 1.561 489 1HG PRO 62 HG2 PRO 62 -6.845 0.121 1.648 490 2HG PRO 62 HG1 PRO 62 -5.741 0.355 3.017 491 1HD PRO 62 HD2 PRO 62 -6.618 2.320 0.931 492 2HD PRO 62 HD1 PRO 62 -6.431 2.550 2.682 493 H GLN 63 HN GLN 63 -1.772 2.663 0.413 494 HA GLN 63 HA GLN 63 -1.964 1.880 -2.410 495 1HB GLN 63 HB2 GLN 63 -1.508 4.714 -1.456 496 2HB GLN 63 HB1 GLN 63 -1.495 4.174 -3.128 497 1HG GLN 63 HG2 GLN 63 -3.941 3.502 -1.677 498 2HG GLN 63 HG1 GLN 63 -3.638 5.231 -1.829 499 1HE2 GLN 63 HE21 GLN 63 -5.279 2.842 -3.182 500 2HE2 GLN 63 HE22 GLN 63 -5.282 3.336 -4.837 501 H ILE 64 HN ILE 64 -0.126 0.903 -2.915 502 HA ILE 64 HA ILE 64 2.312 1.557 -1.450 503 HB ILE 64 HB ILE 64 1.939 -0.624 -3.498 504 1HG1 ILE 64 HG12 ILE 64 1.905 -1.988 -1.209 505 2HG1 ILE 64 HG11 ILE 64 1.211 -0.485 -0.609 506 1HG2 ILE 64 HG21 ILE 64 4.087 0.164 -1.608 507 2HG2 ILE 64 HG22 ILE 64 4.198 -0.493 -3.241 508 3HG2 ILE 64 HG23 ILE 64 3.821 -1.557 -1.886 509 1HD1 ILE 64 HD11 ILE 64 -0.080 -1.211 -3.048 510 2HD1 ILE 64 HD12 ILE 64 -0.762 -1.037 -1.431 511 3HD1 ILE 64 HD13 ILE 64 -0.087 -2.584 -1.941 512 H VAL 65 HN VAL 65 4.155 2.347 -2.369 513 HA VAL 65 HA VAL 65 3.972 3.172 -5.194 514 HB VAL 65 HB VAL 65 5.396 4.645 -2.972 515 1HG1 VAL 65 HG11 VAL 65 5.993 4.713 -5.617 516 2HG1 VAL 65 HG12 VAL 65 6.253 6.052 -4.500 517 3HG1 VAL 65 HG13 VAL 65 4.803 6.008 -5.503 518 1HG2 VAL 65 HG21 VAL 65 3.651 6.292 -3.095 519 2HG2 VAL 65 HG22 VAL 65 2.918 4.714 -2.803 520 3HG2 VAL 65 HG23 VAL 65 2.868 5.424 -4.417 521 H ASN 66 HN ASN 66 5.675 2.740 -6.494 522 HA ASN 66 HA ASN 66 7.841 1.145 -5.338 523 1HB ASN 66 HB2 ASN 66 6.315 0.550 -7.446 524 2HB ASN 66 HB1 ASN 66 7.558 1.473 -8.284 525 1HD2 ASN 66 HD21 ASN 66 7.577 -0.842 -5.594 526 2HD2 ASN 66 HD22 ASN 66 8.768 -1.888 -6.280 527 H GLY 67 HN GLY 67 8.803 3.140 -4.459 528 1HA GLY 67 HA2 GLY 67 10.808 4.355 -4.634 529 2HA GLY 67 HA1 GLY 67 10.710 4.227 -6.383 530 H ASP 68 HN ASP 68 8.912 5.493 -7.410 531 HA ASP 68 HA ASP 68 7.948 7.779 -5.931 532 1HB ASP 68 HB2 ASP 68 8.961 9.409 -7.555 533 2HB ASP 68 HB1 ASP 68 10.120 8.634 -6.480 534 H GLN 69 HN GLN 69 6.768 5.558 -7.354 535 HA GLN 69 HA GLN 69 5.079 7.100 -9.166 536 1HB GLN 69 HB2 GLN 69 6.988 5.133 -10.044 537 2HB GLN 69 HB1 GLN 69 5.360 4.584 -10.409 538 1HG GLN 69 HG2 GLN 69 5.337 7.229 -11.185 539 2HG GLN 69 HG1 GLN 69 6.945 6.672 -11.646 540 1HE2 GLN 69 HE21 GLN 69 7.130 5.675 -13.522 541 2HE2 GLN 69 HE22 GLN 69 5.838 4.979 -14.434 542 H TYR 70 HN TYR 70 3.067 5.935 -9.714 543 HA TYR 70 HA TYR 70 2.018 4.659 -7.356 544 1HB TYR 70 HB2 TYR 70 0.726 6.323 -8.696 545 2HB TYR 70 HB1 TYR 70 0.653 5.153 -10.008 546 HD1 TYR 70 HD1 TYR 70 -1.606 4.601 -10.179 547 HD2 TYR 70 HD2 TYR 70 0.241 4.611 -6.347 548 HE1 TYR 70 HE1 TYR 70 -3.643 3.631 -9.202 549 HE2 TYR 70 HE2 TYR 70 -1.791 3.640 -5.359 550 HH TYR 70 HH TYR 70 -4.700 3.662 -6.743 551 H CYS 71 HN CYS 71 2.702 2.615 -7.069 552 HA CYS 71 HA CYS 71 2.987 0.776 -9.264 553 1HB CYS 71 HB2 CYS 71 4.372 0.853 -7.090 554 2HB CYS 71 HB1 CYS 71 3.011 0.016 -6.352 555 HG CYS 71 HG CYS 71 5.029 -1.540 -7.402 556 H GLY 72 HN GLY 72 0.696 1.251 -6.602 557 1HA GLY 72 HA2 GLY 72 -1.540 0.346 -7.923 558 2HA GLY 72 HA1 GLY 72 -0.832 -1.092 -7.206 559 H ASP 73 HN ASP 73 -2.493 -1.472 -5.780 560 HA ASP 73 HA ASP 73 -2.410 0.044 -3.343 561 1HB ASP 73 HB2 ASP 73 -4.757 0.681 -3.287 562 2HB ASP 73 HB1 ASP 73 -3.989 1.382 -4.706 563 H TYR 74 HN TYR 74 -4.783 -0.879 -2.190 564 HA TYR 74 HA TYR 74 -4.075 -3.416 -1.317 565 1HB TYR 74 HB2 TYR 74 -5.559 -1.999 -0.026 566 2HB TYR 74 HB1 TYR 74 -6.785 -2.074 -1.288 567 HD1 TYR 74 HD1 TYR 74 -8.244 -3.967 -1.484 568 HD2 TYR 74 HD2 TYR 74 -5.095 -3.975 1.377 569 HE1 TYR 74 HE1 TYR 74 -9.237 -5.941 -0.405 570 HE2 TYR 74 HE2 TYR 74 -6.079 -5.950 2.464 571 HH TYR 74 HH TYR 74 -9.063 -6.911 2.178 572 H GLU 75 HN GLU 75 -6.675 -2.554 -3.608 573 HA GLU 75 HA GLU 75 -7.641 -5.040 -4.196 574 1HB GLU 75 HB2 GLU 75 -8.073 -2.525 -5.113 575 2HB GLU 75 HB1 GLU 75 -7.318 -3.259 -6.517 576 1HG GLU 75 HG2 GLU 75 -9.296 -5.017 -5.416 577 2HG GLU 75 HG1 GLU 75 -9.987 -3.425 -5.721 578 H LEU 76 HN LEU 76 -5.083 -3.371 -6.050 579 HA LEU 76 HA LEU 76 -4.475 -5.478 -7.766 580 1HB LEU 76 HB2 LEU 76 -2.641 -3.332 -6.693 581 2HB LEU 76 HB1 LEU 76 -2.283 -4.364 -8.065 582 HG LEU 76 HG LEU 76 -4.689 -3.284 -8.802 583 1HD1 LEU 76 HD11 LEU 76 -4.196 -1.782 -6.667 584 2HD1 LEU 76 HD12 LEU 76 -4.959 -1.136 -8.119 585 3HD1 LEU 76 HD13 LEU 76 -3.235 -0.887 -7.843 586 1HD2 LEU 76 HD21 LEU 76 -2.225 -3.442 -9.839 587 2HD2 LEU 76 HD22 LEU 76 -2.284 -1.713 -9.495 588 3HD2 LEU 76 HD23 LEU 76 -3.503 -2.447 -10.537 589 H PHE 77 HN PHE 77 -2.546 -4.482 -4.936 590 HA PHE 77 HA PHE 77 -0.809 -6.588 -4.797 591 1HB PHE 77 HB2 PHE 77 -0.537 -4.720 -3.328 592 2HB PHE 77 HB1 PHE 77 -2.101 -5.004 -2.573 593 HD1 PHE 77 HD1 PHE 77 1.408 -5.691 -2.477 594 HD2 PHE 77 HD2 PHE 77 -2.393 -7.099 -1.180 595 HE1 PHE 77 HE1 PHE 77 2.505 -7.035 -0.732 596 HE2 PHE 77 HE2 PHE 77 -1.303 -8.444 0.567 597 HZ PHE 77 HZ PHE 77 1.150 -8.413 0.793 598 H VAL 78 HN VAL 78 -3.953 -6.403 -3.118 599 HA VAL 78 HA VAL 78 -3.890 -9.031 -2.101 600 HB VAL 78 HB VAL 78 -6.336 -7.365 -2.720 601 1HG1 VAL 78 HG11 VAL 78 -5.887 -9.932 -1.335 602 2HG1 VAL 78 HG12 VAL 78 -7.313 -9.330 -2.181 603 3HG1 VAL 78 HG13 VAL 78 -6.973 -8.796 -0.534 604 1HG2 VAL 78 HG21 VAL 78 -4.325 -6.573 -1.108 605 2HG2 VAL 78 HG22 VAL 78 -5.291 -7.510 0.032 606 3HG2 VAL 78 HG23 VAL 78 -6.018 -6.159 -0.838 607 H GLU 79 HN GLU 79 -4.905 -7.701 -5.169 608 HA GLU 79 HA GLU 79 -6.247 -10.098 -6.025 609 1HB GLU 79 HB2 GLU 79 -6.960 -7.922 -6.876 610 2HB GLU 79 HB1 GLU 79 -5.374 -7.665 -7.590 611 1HG GLU 79 HG2 GLU 79 -5.890 -8.840 -9.404 612 2HG GLU 79 HG1 GLU 79 -6.573 -10.159 -8.455 613 H ALA 80 HN ALA 80 -3.061 -9.418 -5.573 614 HA ALA 80 HA ALA 80 -2.126 -10.872 -7.931 615 1HB ALA 80 HB1 ALA 80 -0.464 -9.596 -5.768 616 2HB ALA 80 HB2 ALA 80 -1.015 -8.749 -7.213 617 3HB ALA 80 HB3 ALA 80 0.070 -10.131 -7.361 618 H VAL 81 HN VAL 81 -1.832 -11.009 -4.376 619 HA VAL 81 HA VAL 81 -0.414 -13.391 -4.171 620 HB VAL 81 HB VAL 81 -2.604 -12.570 -2.264 621 1HG1 VAL 81 HG11 VAL 81 -1.682 -14.775 -1.858 622 2HG1 VAL 81 HG12 VAL 81 -1.166 -13.659 -0.594 623 3HG1 VAL 81 HG13 VAL 81 -0.046 -14.119 -1.876 624 1HG2 VAL 81 HG21 VAL 81 -1.454 -10.780 -1.615 625 2HG2 VAL 81 HG22 VAL 81 -0.426 -11.002 -3.029 626 3HG2 VAL 81 HG23 VAL 81 0.037 -11.712 -1.484 627 H GLU 82 HN GLU 82 -3.794 -12.827 -4.780 628 HA GLU 82 HA GLU 82 -4.920 -15.288 -4.215 629 1HB GLU 82 HB2 GLU 82 -6.549 -14.683 -6.065 630 2HB GLU 82 HB1 GLU 82 -6.354 -13.496 -4.781 631 1HG GLU 82 HG2 GLU 82 -6.034 -12.004 -6.390 632 2HG GLU 82 HG1 GLU 82 -4.449 -12.744 -6.626 633 H GLN 83 HN GLN 83 -3.419 -14.218 -7.259 634 HA GLN 83 HA GLN 83 -3.559 -16.965 -8.268 635 1HB GLN 83 HB2 GLN 83 -4.116 -14.601 -9.508 636 2HB GLN 83 HB1 GLN 83 -2.453 -14.863 -10.013 637 1HG GLN 83 HG2 GLN 83 -3.008 -16.969 -10.992 638 2HG GLN 83 HG1 GLN 83 -4.636 -16.909 -10.319 639 1HE2 GLN 83 HE21 GLN 83 -6.191 -16.135 -11.562 640 2HE2 GLN 83 HE22 GLN 83 -5.967 -15.211 -13.004 641 H ASN 84 HN ASN 84 -1.540 -15.366 -6.386 642 HA ASN 84 HA ASN 84 0.595 -15.764 -5.746 643 1HB ASN 84 HB2 ASN 84 1.016 -17.488 -8.184 644 2HB ASN 84 HB1 ASN 84 1.873 -17.547 -6.648 645 1HD2 ASN 84 HD21 ASN 84 -0.708 -18.746 -8.470 646 2HD2 ASN 84 HD22 ASN 84 -1.443 -19.717 -7.245 647 H THR 85 HN THR 85 -0.393 -13.789 -7.781 648 HA THR 85 HA THR 85 1.938 -13.287 -9.410 649 HB THR 85 HB THR 85 0.324 -11.061 -9.646 650 HG1 THR 85 HG1 THR 85 -1.379 -13.310 -9.430 651 1HG2 THR 85 HG21 THR 85 1.280 -12.784 -11.383 652 2HG2 THR 85 HG22 THR 85 -0.090 -11.744 -11.772 653 3HG2 THR 85 HG23 THR 85 -0.362 -13.422 -11.302 654 H LEU 86 HN LEU 86 0.776 -12.445 -6.314 655 HA LEU 86 HA LEU 86 1.439 -9.978 -5.641 656 1HB LEU 86 HB2 LEU 86 0.916 -11.934 -4.118 657 2HB LEU 86 HB1 LEU 86 2.635 -12.274 -4.112 658 HG LEU 86 HG LEU 86 1.749 -10.976 -2.139 659 1HD1 LEU 86 HD11 LEU 86 4.165 -10.908 -3.384 660 2HD1 LEU 86 HD12 LEU 86 3.809 -10.161 -1.828 661 3HD1 LEU 86 HD13 LEU 86 3.758 -9.194 -3.302 662 1HD2 LEU 86 HD21 LEU 86 0.831 -8.935 -2.333 663 2HD2 LEU 86 HD22 LEU 86 0.484 -9.448 -3.984 664 3HD2 LEU 86 HD23 LEU 86 1.908 -8.463 -3.648 665 H GLN 87 HN GLN 87 3.920 -12.446 -6.307 666 HA GLN 87 HA GLN 87 6.158 -10.911 -5.645 667 1HB GLN 87 HB2 GLN 87 6.511 -13.223 -6.045 668 2HB GLN 87 HB1 GLN 87 5.786 -13.135 -7.646 669 1HG GLN 87 HG2 GLN 87 7.649 -11.987 -8.535 670 2HG GLN 87 HG1 GLN 87 8.311 -11.673 -6.933 671 1HE2 GLN 87 HE21 GLN 87 10.277 -12.615 -7.619 672 2HE2 GLN 87 HE22 GLN 87 10.459 -14.331 -7.712 673 H GLU 88 HN GLU 88 4.651 -11.375 -8.841 674 HA GLU 88 HA GLU 88 6.207 -9.783 -10.408 675 1HB GLU 88 HB2 GLU 88 3.293 -10.411 -10.415 676 2HB GLU 88 HB1 GLU 88 3.871 -9.158 -11.504 677 1HG GLU 88 HG2 GLU 88 3.841 -11.185 -12.719 678 2HG GLU 88 HG1 GLU 88 5.530 -10.806 -12.384 679 H PHE 89 HN PHE 89 4.046 -8.769 -7.897 680 HA PHE 89 HA PHE 89 4.321 -5.967 -8.677 681 1HB PHE 89 HB2 PHE 89 2.053 -6.659 -8.202 682 2HB PHE 89 HB1 PHE 89 2.539 -7.339 -6.655 683 HD1 PHE 89 HD1 PHE 89 1.169 -4.542 -8.287 684 HD2 PHE 89 HD2 PHE 89 3.566 -5.651 -4.951 685 HE1 PHE 89 HE1 PHE 89 0.622 -2.412 -7.189 686 HE2 PHE 89 HE2 PHE 89 3.026 -3.520 -3.849 687 HZ PHE 89 HZ PHE 89 1.551 -1.896 -4.968 688 H LEU 90 HN LEU 90 5.345 -8.270 -6.288 689 HA LEU 90 HA LEU 90 6.405 -6.188 -4.550 690 1HB LEU 90 HB2 LEU 90 5.582 -8.900 -4.214 691 2HB LEU 90 HB1 LEU 90 7.259 -8.768 -3.722 692 HG LEU 90 HG LEU 90 4.915 -7.225 -2.616 693 1HD1 LEU 90 HD11 LEU 90 5.837 -9.718 -1.966 694 2HD1 LEU 90 HD12 LEU 90 4.927 -8.650 -0.897 695 3HD1 LEU 90 HD13 LEU 90 6.688 -8.686 -0.816 696 1HD2 LEU 90 HD21 LEU 90 6.284 -5.646 -1.868 697 2HD2 LEU 90 HD22 LEU 90 7.576 -6.350 -2.838 698 3HD2 LEU 90 HD23 LEU 90 7.359 -6.852 -1.162 699 H LYS 91 HN LYS 91 7.926 -9.239 -5.543 700 HA LYS 91 HA LYS 91 10.486 -7.897 -5.721 701 1HB LYS 91 HB2 LYS 91 9.979 -10.793 -6.357 702 2HB LYS 91 HB1 LYS 91 11.465 -10.042 -5.794 703 1HG LYS 91 HG2 LYS 91 8.989 -10.115 -4.104 704 2HG LYS 91 HG1 LYS 91 10.150 -11.443 -4.129 705 1HD LYS 91 HD2 LYS 91 11.248 -8.723 -3.737 706 2HD LYS 91 HD1 LYS 91 10.305 -9.396 -2.406 707 1HE LYS 91 HE2 LYS 91 11.790 -11.130 -2.057 708 2HE LYS 91 HE1 LYS 91 12.426 -11.052 -3.700 709 1HZ LYS 91 HZ1 LYS 91 13.145 -8.665 -2.785 710 2HZ LYS 91 HZ2 LYS 91 14.128 -10.037 -2.662 711 3HZ LYS 91 HZ3 LYS 91 13.195 -9.544 -1.340 712 H LEU 92 HN LEU 92 7.967 -8.611 -7.864 713 HA LEU 92 HA LEU 92 7.773 -8.644 -10.134 714 1HB LEU 92 HB2 LEU 92 10.068 -6.745 -9.714 715 2HB LEU 92 HB1 LEU 92 9.385 -7.043 -11.301 716 HG LEU 92 HG LEU 92 7.318 -6.058 -10.722 717 1HD1 LEU 92 HD11 LEU 92 6.736 -5.364 -8.452 718 2HD1 LEU 92 HD12 LEU 92 8.254 -6.035 -7.855 719 3HD1 LEU 92 HD13 LEU 92 7.027 -7.102 -8.537 720 1HD2 LEU 92 HD21 LEU 92 9.261 -4.510 -11.060 721 2HD2 LEU 92 HD22 LEU 92 9.368 -4.370 -9.306 722 3HD2 LEU 92 HD23 LEU 92 7.915 -3.830 -10.146 723 H ALA 93 HN ALA 93 9.343 -10.771 -8.993 724 HA ALA 93 HA ALA 93 10.550 -12.561 -9.711 725 1HB ALA 93 HB1 ALA 93 9.295 -11.745 -11.940 726 2HB ALA 93 HB2 ALA 93 10.397 -13.121 -11.891 727 3HB ALA 93 HB3 ALA 93 10.972 -11.550 -12.449 728 H LEU 94 HN LEU 94 11.762 -9.748 -9.070 729 HA LEU 94 HA LEU 94 13.835 -8.886 -8.747 730 1HB LEU 94 HB2 LEU 94 14.560 -11.761 -9.270 731 2HB LEU 94 HB1 LEU 94 15.759 -10.548 -8.864 732 HG LEU 94 HG LEU 94 13.421 -11.319 -7.116 733 1HD1 LEU 94 HD11 LEU 94 15.373 -12.178 -5.671 734 2HD1 LEU 94 HD12 LEU 94 16.285 -12.184 -7.180 735 3HD1 LEU 94 HD13 LEU 94 14.827 -13.164 -7.027 736 1HD2 LEU 94 HD21 LEU 94 15.771 -9.489 -6.651 737 2HD2 LEU 94 HD22 LEU 94 14.641 -10.014 -5.404 738 3HD2 LEU 94 HD23 LEU 94 14.072 -9.028 -6.750 739 H GLU 95 HN GLU 95 14.807 -11.257 -11.196 740 HA GLU 95 HA GLU 95 16.243 -9.349 -12.706 741 1HB GLU 95 HB2 GLU 95 16.756 -11.768 -12.698 742 2HB GLU 95 HB1 GLU 95 15.254 -12.076 -13.559 743 1HG GLU 95 HG2 GLU 95 16.107 -10.637 -15.408 744 2HG GLU 95 HG1 GLU 95 17.650 -10.561 -14.559
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