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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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619733 |
5gph ![]() ![]() |
36014 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 27.847 15.022 5.869 2 H2 GLY 1 2HT GLY 1 27.785 13.519 6.640 3 H3 GLY 1 3HT GLY 1 29.003 14.618 7.029 4 HA2 GLY 1 1HA GLY 1 27.314 14.577 8.748 5 HA3 GLY 1 2HA GLY 1 27.440 16.146 7.971 6 H SER 2 H SER 2 25.777 13.096 7.120 7 HA SER 2 HA SER 2 23.260 14.579 7.121 8 HB2 SER 2 2HB SER 2 24.232 12.756 4.910 9 HB3 SER 2 1HB SER 2 22.601 13.416 5.026 10 HG SER 2 HG SER 2 25.021 14.890 4.753 11 H HIS 3 H HIS 3 21.379 13.174 7.276 12 HA HIS 3 HA HIS 3 21.929 10.936 9.038 13 HB2 HIS 3 2HB HIS 3 19.362 12.253 8.153 14 HB3 HIS 3 1HB HIS 3 19.406 10.828 9.176 15 HD1 HIS 3 1HD HIS 3 19.492 11.258 11.621 16 HD2 HIS 3 2HD HIS 3 20.741 14.547 9.414 17 HE1 HIS 3 1HE HIS 3 19.819 13.101 13.285 18 HE2 HIS 3 2HE HIS 3 20.432 15.119 11.910 19 H MET 4 H MET 4 21.571 8.803 8.601 20 HA MET 4 HA MET 4 21.313 8.070 5.846 21 HB2 MET 4 2HB MET 4 21.453 5.722 6.685 22 HB3 MET 4 1HB MET 4 22.797 6.726 7.190 23 HG2 MET 4 2HG MET 4 20.425 6.109 8.938 24 HG3 MET 4 1HG MET 4 21.903 5.154 8.919 25 HE1 MET 4 1HE MET 4 20.725 6.364 11.574 26 HE2 MET 4 2HE MET 4 22.170 7.028 12.334 27 HE3 MET 4 3HE MET 4 22.241 5.465 11.519 28 H GLU 5 H GLU 5 19.424 8.428 4.977 29 HA GLU 5 HA GLU 5 17.222 8.384 4.497 30 HB2 GLU 5 2HB GLU 5 17.093 6.158 6.553 31 HB3 GLU 5 1HB GLU 5 15.774 6.609 5.487 32 HG2 GLU 5 2HG GLU 5 16.600 4.879 4.296 33 HG3 GLU 5 1HG GLU 5 17.626 6.152 3.640 34 HA PRO 6 HA PRO 6 15.247 11.161 7.313 35 HB2 PRO 6 2HB PRO 6 12.660 9.847 6.709 36 HB3 PRO 6 1HB PRO 6 13.132 11.538 6.511 37 HG2 PRO 6 2HG PRO 6 12.868 9.935 4.396 38 HG3 PRO 6 1HG PRO 6 14.156 11.152 4.472 39 HD2 PRO 6 2HD PRO 6 14.311 8.199 4.906 40 HD3 PRO 6 1HD PRO 6 15.452 9.281 4.081 41 H ALA 7 H ALA 7 14.257 11.257 9.369 42 HA ALA 7 HA ALA 7 14.564 8.826 10.899 43 HB1 ALA 7 1HB ALA 7 13.752 11.590 11.796 44 HB2 ALA 7 2HB ALA 7 15.399 10.960 11.769 45 HB3 ALA 7 3HB ALA 7 14.199 10.245 12.846 46 H ARG 8 H ARG 8 11.979 10.952 9.866 47 HA ARG 8 HA ARG 8 10.044 8.870 10.468 48 HB2 ARG 8 2HB ARG 8 10.252 10.332 12.507 49 HB3 ARG 8 1HB ARG 8 9.696 11.676 11.525 50 HG2 ARG 8 2HG ARG 8 7.575 10.611 11.183 51 HG3 ARG 8 1HG ARG 8 8.129 9.159 12.015 52 HD2 ARG 8 2HD ARG 8 7.803 11.901 13.231 53 HD3 ARG 8 1HD ARG 8 6.759 10.506 13.504 54 HE ARG 8 HE ARG 8 9.444 9.877 14.142 55 HH11 ARG 8 1HH1 ARG 8 6.685 11.654 15.389 56 HH12 ARG 8 2HH1 ARG 8 7.188 11.510 17.036 57 HH21 ARG 8 1HH2 ARG 8 10.103 9.692 16.304 58 HH22 ARG 8 2HH2 ARG 8 9.146 10.397 17.558 59 H VAL 9 H VAL 9 8.473 8.809 8.932 60 HA VAL 9 HA VAL 9 8.153 11.166 7.205 61 HB VAL 9 HB VAL 9 8.113 9.778 5.191 62 HG11 VAL 9 1HG1 VAL 9 10.627 9.393 6.797 63 HG12 VAL 9 2HG1 VAL 9 10.222 10.794 5.804 64 HG13 VAL 9 3HG1 VAL 9 10.493 9.224 5.048 65 HG21 VAL 9 1HG2 VAL 9 7.357 7.676 6.166 66 HG22 VAL 9 2HG2 VAL 9 8.900 7.494 7.003 67 HG23 VAL 9 3HG2 VAL 9 8.840 7.436 5.241 68 H ARG 10 H ARG 10 6.162 11.258 6.067 69 HA ARG 10 HA ARG 10 4.071 9.558 7.219 70 HB2 ARG 10 2HB ARG 10 3.627 11.891 7.647 71 HB3 ARG 10 1HB ARG 10 3.891 12.296 5.953 72 HG2 ARG 10 2HG ARG 10 1.945 10.912 5.345 73 HG3 ARG 10 1HG ARG 10 1.657 10.607 7.055 74 HD2 ARG 10 2HD ARG 10 1.196 12.909 7.456 75 HD3 ARG 10 1HD ARG 10 1.725 13.353 5.830 76 HE ARG 10 HE ARG 10 -0.406 11.441 5.815 77 HH11 ARG 10 1HH1 ARG 10 0.276 14.873 6.184 78 HH12 ARG 10 2HH1 ARG 10 -1.237 15.368 5.504 79 HH21 ARG 10 1HH2 ARG 10 -2.403 12.111 4.917 80 HH22 ARG 10 2HH2 ARG 10 -2.767 13.799 4.800 81 H CYS 11 H CYS 11 3.286 8.043 5.958 82 HA CYS 11 HA CYS 11 3.035 8.542 3.100 83 HB2 CYS 11 2HB CYS 11 4.365 6.067 4.226 84 HB3 CYS 11 1HB CYS 11 3.990 6.353 2.532 85 HG CYS 11 HG CYS 11 5.804 8.814 3.763 86 H SER 12 H SER 12 1.253 7.665 2.240 87 HA SER 12 HA SER 12 -0.523 6.225 4.045 88 HB2 SER 12 2HB SER 12 -1.077 7.350 1.285 89 HB3 SER 12 1HB SER 12 -2.273 6.776 2.448 90 HG SER 12 HG SER 12 -1.039 8.542 3.814 91 H HIS 13 H HIS 13 -1.522 4.210 3.343 92 HA HIS 13 HA HIS 13 -0.059 2.890 1.180 93 HB2 HIS 13 2HB HIS 13 0.354 0.877 2.517 94 HB3 HIS 13 1HB HIS 13 1.142 2.280 3.211 95 HD1 HIS 13 1HD HIS 13 0.971 0.161 5.181 96 HD2 HIS 13 2HD HIS 13 -2.324 2.601 4.491 97 HE1 HIS 13 1HE HIS 13 -0.466 -0.044 7.226 98 HE2 HIS 13 2HE HIS 13 -2.574 1.200 6.634 99 H LEU 14 H LEU 14 -1.078 1.356 0.056 100 HA LEU 14 HA LEU 14 -3.883 0.754 0.753 101 HB2 LEU 14 2HB LEU 14 -3.440 2.223 -1.303 102 HB3 LEU 14 1HB LEU 14 -2.674 0.829 -2.026 103 HG LEU 14 HG LEU 14 -5.548 0.725 -1.127 104 HD11 LEU 14 1HD1 LEU 14 -4.500 1.639 -3.803 105 HD12 LEU 14 2HD1 LEU 14 -5.346 2.637 -2.619 106 HD13 LEU 14 3HD1 LEU 14 -6.188 1.309 -3.417 107 HD21 LEU 14 1HD2 LEU 14 -4.448 -1.397 -1.655 108 HD22 LEU 14 2HD2 LEU 14 -3.997 -0.770 -3.241 109 HD23 LEU 14 3HD2 LEU 14 -5.698 -1.009 -2.838 110 H LEU 15 H LEU 15 -4.486 -1.456 0.565 111 HA LEU 15 HA LEU 15 -2.267 -3.270 -0.101 112 HB2 LEU 15 2HB LEU 15 -2.293 -3.170 2.279 113 HB3 LEU 15 1HB LEU 15 -4.026 -3.423 2.331 114 HG LEU 15 HG LEU 15 -3.693 -5.714 1.448 115 HD11 LEU 15 1HD1 LEU 15 -0.773 -5.062 1.756 116 HD12 LEU 15 2HD1 LEU 15 -1.626 -5.394 0.247 117 HD13 LEU 15 3HD1 LEU 15 -1.438 -6.666 1.454 118 HD21 LEU 15 1HD2 LEU 15 -3.844 -5.287 3.853 119 HD22 LEU 15 2HD2 LEU 15 -2.089 -5.122 3.924 120 HD23 LEU 15 3HD2 LEU 15 -2.815 -6.667 3.482 121 H VAL 16 H VAL 16 -2.815 -4.490 -1.713 122 HA VAL 16 HA VAL 16 -5.561 -5.536 -1.841 123 HB VAL 16 HB VAL 16 -3.521 -5.232 -4.071 124 HG11 VAL 16 1HG1 VAL 16 -6.320 -6.352 -4.179 125 HG12 VAL 16 2HG1 VAL 16 -4.826 -7.268 -4.372 126 HG13 VAL 16 3HG1 VAL 16 -5.277 -6.053 -5.569 127 HG21 VAL 16 1HG2 VAL 16 -6.172 -3.868 -3.609 128 HG22 VAL 16 2HG2 VAL 16 -5.147 -3.663 -5.028 129 HG23 VAL 16 3HG2 VAL 16 -4.579 -3.129 -3.445 130 H LYS 17 H LYS 17 -5.740 -7.552 -1.196 131 HA LYS 17 HA LYS 17 -3.363 -9.217 -0.972 132 HB2 LYS 17 2HB LYS 17 -6.206 -9.738 -0.106 133 HB3 LYS 17 1HB LYS 17 -4.822 -10.750 0.272 134 HG2 LYS 17 2HG LYS 17 -3.855 -9.008 1.618 135 HG3 LYS 17 1HG LYS 17 -5.130 -7.885 1.138 136 HD2 LYS 17 2HD LYS 17 -6.794 -9.379 2.191 137 HD3 LYS 17 1HD LYS 17 -5.481 -10.427 2.727 138 HE2 LYS 17 2HE LYS 17 -5.749 -7.516 3.462 139 HE3 LYS 17 1HE LYS 17 -6.308 -8.851 4.467 140 HZ1 LYS 17 1HZ LYS 17 -3.491 -8.463 3.599 141 HZ2 LYS 17 2HZ LYS 17 -4.072 -9.641 4.661 142 HZ3 LYS 17 3HZ LYS 17 -4.108 -8.020 5.112 143 H HIS 18 H HIS 18 -4.098 -11.703 -1.326 144 HA HIS 18 HA HIS 18 -5.605 -12.098 -3.720 145 HB2 HIS 18 2HB HIS 18 -3.709 -13.179 -4.976 146 HB3 HIS 18 1HB HIS 18 -3.571 -11.436 -4.823 147 HD1 HIS 18 1HD HIS 18 -1.609 -14.404 -4.559 148 HD2 HIS 18 2HD HIS 18 -1.709 -10.774 -2.531 149 HE1 HIS 18 1HE HIS 18 0.631 -14.183 -3.445 150 HE2 HIS 18 2HE HIS 18 0.627 -11.874 -2.471 151 H SER 19 H SER 19 -5.546 -14.462 -4.356 152 HA SER 19 HA SER 19 -6.458 -15.966 -2.235 153 HB2 SER 19 2HB SER 19 -6.076 -17.925 -3.887 154 HB3 SER 19 1HB SER 19 -7.195 -16.638 -4.335 155 HG SER 19 HG SER 19 -5.691 -17.219 -6.002 156 H GLN 20 H GLN 20 -3.227 -15.995 -3.673 157 HA GLN 20 HA GLN 20 -2.276 -18.126 -2.035 158 HB2 GLN 20 2HB GLN 20 -0.674 -16.010 -3.489 159 HB3 GLN 20 1HB GLN 20 -0.033 -17.495 -2.812 160 HG2 GLN 20 2HG GLN 20 -0.195 -17.902 -5.099 161 HG3 GLN 20 1HG GLN 20 -1.601 -18.707 -4.412 162 HE21 GLN 20 1HE2 GLN 20 -2.655 -18.635 -6.403 163 HE22 GLN 20 2HE2 GLN 20 -3.337 -17.178 -7.028 164 H SER 21 H SER 21 -2.823 -17.577 0.088 165 HA SER 21 HA SER 21 -0.820 -16.144 1.493 166 HB2 SER 21 2HB SER 21 -2.341 -14.438 2.520 167 HB3 SER 21 1HB SER 21 -2.064 -14.177 0.799 168 HG SER 21 HG SER 21 -4.080 -14.953 0.355 169 H ARG 22 H ARG 22 -1.316 -16.123 3.895 170 HA ARG 22 HA ARG 22 -2.472 -18.668 4.581 171 HB2 ARG 22 2HB ARG 22 -1.486 -18.471 6.693 172 HB3 ARG 22 1HB ARG 22 -0.357 -17.637 5.643 173 HG2 ARG 22 2HG ARG 22 -2.442 -16.243 7.319 174 HG3 ARG 22 1HG ARG 22 -0.781 -16.522 7.837 175 HD2 ARG 22 2HD ARG 22 0.048 -15.179 6.009 176 HD3 ARG 22 1HD ARG 22 -1.587 -14.991 5.373 177 HE ARG 22 HE ARG 22 -0.929 -13.994 8.054 178 HH11 ARG 22 1HH1 ARG 22 -1.826 -13.364 4.737 179 HH12 ARG 22 2HH1 ARG 22 -2.398 -11.764 5.049 180 HH21 ARG 22 1HH2 ARG 22 -1.620 -11.842 8.480 181 HH22 ARG 22 2HH2 ARG 22 -2.269 -10.882 7.198 182 H ARG 23 H ARG 23 -3.794 -15.739 4.046 183 HA ARG 23 HA ARG 23 -6.253 -16.468 5.283 184 HB2 ARG 23 2HB ARG 23 -5.062 -15.453 7.214 185 HB3 ARG 23 1HB ARG 23 -4.883 -13.965 6.299 186 HG2 ARG 23 2HG ARG 23 -6.708 -13.835 7.923 187 HG3 ARG 23 1HG ARG 23 -7.290 -13.662 6.267 188 HD2 ARG 23 2HD ARG 23 -8.731 -15.115 7.658 189 HD3 ARG 23 1HD ARG 23 -8.074 -15.941 6.248 190 HE ARG 23 HE ARG 23 -6.561 -16.269 8.696 191 HH11 ARG 23 1HH1 ARG 23 -9.134 -17.550 6.685 192 HH12 ARG 23 2HH1 ARG 23 -8.975 -19.166 7.270 193 HH21 ARG 23 1HH2 ARG 23 -6.352 -18.420 9.494 194 HH22 ARG 23 2HH2 ARG 23 -7.392 -19.657 8.882 195 HA PRO 24 HA PRO 24 -6.852 -13.887 1.586 196 HB2 PRO 24 2HB PRO 24 -8.468 -15.542 0.273 197 HB3 PRO 24 1HB PRO 24 -6.737 -15.888 0.387 198 HG2 PRO 24 2HG PRO 24 -9.012 -17.092 1.902 199 HG3 PRO 24 1HG PRO 24 -7.554 -17.869 1.267 200 HD2 PRO 24 2HD PRO 24 -7.936 -17.030 3.904 201 HD3 PRO 24 1HD PRO 24 -6.373 -17.410 3.157 202 H SER 25 H SER 25 -8.034 -12.972 3.766 203 HA SER 25 HA SER 25 -10.908 -12.984 3.175 204 HB2 SER 25 2HB SER 25 -9.615 -12.634 5.882 205 HB3 SER 25 1HB SER 25 -11.346 -12.712 5.544 206 HG SER 25 HG SER 25 -10.632 -14.854 4.508 207 H SER 26 H SER 26 -11.941 -11.070 3.064 208 HA SER 26 HA SER 26 -10.371 -8.627 3.512 209 HB2 SER 26 2HB SER 26 -10.645 -9.157 1.081 210 HB3 SER 26 1HB SER 26 -12.390 -9.140 1.305 211 HG SER 26 HG SER 26 -10.820 -7.122 0.737 212 H TRP 27 H TRP 27 -11.967 -6.699 3.636 213 HA TRP 27 HA TRP 27 -14.088 -7.472 5.486 214 HB2 TRP 27 2HB TRP 27 -14.211 -5.098 6.078 215 HB3 TRP 27 1HB TRP 27 -12.556 -5.682 6.202 216 HD1 TRP 27 HD TRP 27 -10.790 -4.737 4.447 217 HE1 TRP 27 1HE TRP 27 -10.797 -2.677 2.931 218 HE3 TRP 27 3HE TRP 27 -15.766 -3.588 4.685 219 HZ2 TRP 27 2HZ TRP 27 -12.668 -0.793 1.958 220 HZ3 TRP 27 3HZ TRP 27 -16.581 -1.636 3.430 221 HH2 TRP 27 HH TRP 27 -15.062 -0.270 2.096 222 H ARG 28 H ARG 28 -13.653 -6.569 2.244 223 HA ARG 28 HA ARG 28 -16.464 -5.779 2.028 224 HB2 ARG 28 2HB ARG 28 -15.900 -4.932 -0.232 225 HB3 ARG 28 1HB ARG 28 -15.005 -4.141 1.053 226 HG2 ARG 28 2HG ARG 28 -13.032 -5.452 0.515 227 HG3 ARG 28 1HG ARG 28 -13.931 -6.315 -0.736 228 HD2 ARG 28 2HD ARG 28 -13.371 -3.347 -0.679 229 HD3 ARG 28 1HD ARG 28 -12.568 -4.531 -1.708 230 HE ARG 28 HE ARG 28 -14.990 -4.947 -2.516 231 HH11 ARG 28 1HH1 ARG 28 -13.584 -1.821 -1.710 232 HH12 ARG 28 2HH1 ARG 28 -14.643 -0.939 -2.756 233 HH21 ARG 28 1HH2 ARG 28 -16.384 -3.772 -3.909 234 HH22 ARG 28 2HH2 ARG 28 -16.248 -2.053 -4.007 235 H GLN 29 H GLN 29 -14.478 -8.420 1.589 236 HA GLN 29 HA GLN 29 -16.642 -9.885 0.387 237 HB2 GLN 29 2HB GLN 29 -15.259 -10.912 -1.383 238 HB3 GLN 29 1HB GLN 29 -15.469 -9.187 -1.630 239 HG2 GLN 29 2HG GLN 29 -13.233 -8.766 -0.818 240 HG3 GLN 29 1HG GLN 29 -13.023 -10.474 -0.441 241 HE21 GLN 29 1HE2 GLN 29 -14.681 -9.373 -3.306 242 HE22 GLN 29 2HE2 GLN 29 -13.475 -9.874 -4.434 243 H GLU 30 H GLU 30 -16.506 -12.107 0.775 244 HA GLU 30 HA GLU 30 -15.217 -12.714 3.219 245 HB2 GLU 30 2HB GLU 30 -17.382 -13.674 2.592 246 HB3 GLU 30 1HB GLU 30 -16.615 -14.561 1.283 247 HG2 GLU 30 2HG GLU 30 -15.284 -15.809 2.917 248 HG3 GLU 30 1HG GLU 30 -16.079 -14.931 4.222 249 H LYS 31 H LYS 31 -14.898 -14.527 0.161 250 HA LYS 31 HA LYS 31 -12.186 -15.224 1.036 251 HB2 LYS 31 2HB LYS 31 -13.708 -17.116 0.773 252 HB3 LYS 31 1HB LYS 31 -14.013 -16.654 -0.894 253 HG2 LYS 31 2HG LYS 31 -11.636 -17.054 -1.410 254 HG3 LYS 31 1HG LYS 31 -11.390 -17.587 0.254 255 HD2 LYS 31 2HD LYS 31 -13.022 -19.379 -0.078 256 HD3 LYS 31 1HD LYS 31 -13.279 -18.842 -1.738 257 HE2 LYS 31 2HE LYS 31 -10.937 -19.311 -2.256 258 HE3 LYS 31 1HE LYS 31 -10.674 -19.839 -0.594 259 HZ1 LYS 31 1HZ LYS 31 -12.537 -21.107 -2.523 260 HZ2 LYS 31 2HZ LYS 31 -12.244 -21.631 -0.948 261 HZ3 LYS 31 3HZ LYS 31 -11.015 -21.698 -2.106 262 H ILE 32 H ILE 32 -10.632 -14.183 0.089 263 HA ILE 32 HA ILE 32 -10.960 -12.820 -2.415 264 HB ILE 32 HB ILE 32 -8.448 -13.305 -0.792 265 HG12 ILE 32 2HG1 ILE 32 -10.315 -10.924 -0.822 266 HG13 ILE 32 1HG1 ILE 32 -10.170 -12.096 0.482 267 HG21 ILE 32 1HG2 ILE 32 -9.001 -11.287 -2.964 268 HG22 ILE 32 2HG2 ILE 32 -7.984 -12.718 -3.118 269 HG23 ILE 32 3HG2 ILE 32 -7.515 -11.417 -2.025 270 HD11 ILE 32 1HD1 ILE 32 -7.798 -11.405 0.742 271 HD12 ILE 32 2HD1 ILE 32 -8.967 -10.133 1.086 272 HD13 ILE 32 3HD1 ILE 32 -8.095 -10.138 -0.447 273 H THR 33 H THR 33 -11.132 -14.106 -4.167 274 HA THR 33 HA THR 33 -9.356 -16.413 -4.376 275 HB THR 33 HB THR 33 -10.898 -16.967 -6.371 276 HG1 THR 33 1HG THR 33 -12.391 -15.536 -6.719 277 HG21 THR 33 1HG2 THR 33 -11.961 -17.012 -3.544 278 HG22 THR 33 2HG2 THR 33 -10.893 -18.213 -4.271 279 HG23 THR 33 3HG2 THR 33 -12.539 -18.016 -4.873 280 H ARG 34 H ARG 34 -9.309 -13.269 -5.297 281 HA ARG 34 HA ARG 34 -8.525 -13.484 -8.013 282 HB2 ARG 34 2HB ARG 34 -7.887 -11.198 -7.888 283 HB3 ARG 34 1HB ARG 34 -9.270 -11.352 -6.820 284 HG2 ARG 34 2HG ARG 34 -7.729 -11.462 -4.894 285 HG3 ARG 34 1HG ARG 34 -6.375 -11.221 -5.998 286 HD2 ARG 34 2HD ARG 34 -6.761 -9.080 -5.233 287 HD3 ARG 34 1HD ARG 34 -7.687 -9.106 -6.729 288 HE ARG 34 HE ARG 34 -9.694 -9.371 -5.410 289 HH11 ARG 34 1HH1 ARG 34 -6.798 -8.529 -3.620 290 HH12 ARG 34 2HH1 ARG 34 -7.657 -7.797 -2.302 291 HH21 ARG 34 1HH2 ARG 34 -10.841 -8.414 -3.628 292 HH22 ARG 34 2HH2 ARG 34 -9.942 -7.757 -2.294 293 H THR 35 H THR 35 -6.618 -14.073 -8.884 294 HA THR 35 HA THR 35 -4.578 -15.037 -7.099 295 HB THR 35 HB THR 35 -5.194 -16.276 -9.184 296 HG1 THR 35 1HG THR 35 -3.111 -16.909 -9.566 297 HG21 THR 35 1HG2 THR 35 -3.832 -13.941 -10.529 298 HG22 THR 35 2HG2 THR 35 -5.506 -14.465 -10.731 299 HG23 THR 35 3HG2 THR 35 -4.190 -15.477 -11.320 300 H LYS 36 H LYS 36 -2.198 -14.552 -8.007 301 HA LYS 36 HA LYS 36 -1.609 -11.962 -7.152 302 HB2 LYS 36 2HB LYS 36 0.030 -13.741 -7.026 303 HB3 LYS 36 1HB LYS 36 0.083 -13.859 -8.779 304 HG2 LYS 36 2HG LYS 36 1.051 -11.661 -8.943 305 HG3 LYS 36 1HG LYS 36 0.898 -11.431 -7.202 306 HD2 LYS 36 2HD LYS 36 2.446 -13.295 -6.836 307 HD3 LYS 36 1HD LYS 36 2.597 -13.504 -8.581 308 HE2 LYS 36 2HE LYS 36 3.548 -11.288 -8.798 309 HE3 LYS 36 1HE LYS 36 3.308 -10.987 -7.079 310 HZ1 LYS 36 1HZ LYS 36 5.592 -11.600 -7.639 311 HZ2 LYS 36 2HZ LYS 36 5.060 -13.101 -8.198 312 HZ3 LYS 36 3HZ LYS 36 4.889 -12.697 -6.564 313 H GLU 37 H GLU 37 -1.728 -13.250 -10.459 314 HA GLU 37 HA GLU 37 -0.879 -10.930 -11.765 315 HB2 GLU 37 2HB GLU 37 -2.674 -13.151 -12.722 316 HB3 GLU 37 1HB GLU 37 -2.025 -11.896 -13.770 317 HG2 GLU 37 2HG GLU 37 0.236 -12.605 -13.259 318 HG3 GLU 37 1HG GLU 37 -0.384 -13.824 -12.148 319 H GLU 38 H GLU 38 -4.088 -11.894 -10.695 320 HA GLU 38 HA GLU 38 -5.498 -9.787 -11.958 321 HB2 GLU 38 2HB GLU 38 -6.180 -11.367 -9.472 322 HB3 GLU 38 1HB GLU 38 -7.289 -10.301 -10.324 323 HG2 GLU 38 2HG GLU 38 -6.010 -12.775 -11.451 324 HG3 GLU 38 1HG GLU 38 -7.674 -12.640 -10.881 325 H ALA 39 H ALA 39 -4.006 -10.174 -8.791 326 HA ALA 39 HA ALA 39 -4.794 -7.703 -7.707 327 HB1 ALA 39 1HB ALA 39 -2.317 -9.323 -7.097 328 HB2 ALA 39 2HB ALA 39 -3.897 -9.535 -6.341 329 HB3 ALA 39 3HB ALA 39 -2.992 -8.042 -6.090 330 H LEU 40 H LEU 40 -1.967 -8.692 -9.596 331 HA LEU 40 HA LEU 40 -0.526 -6.305 -9.542 332 HB2 LEU 40 2HB LEU 40 -0.640 -8.656 -11.300 333 HB3 LEU 40 1HB LEU 40 -0.058 -7.199 -12.073 334 HG LEU 40 HG LEU 40 1.802 -8.483 -11.306 335 HD11 LEU 40 1HD1 LEU 40 1.448 -6.145 -9.445 336 HD12 LEU 40 2HD1 LEU 40 1.910 -6.022 -11.140 337 HD13 LEU 40 3HD1 LEU 40 2.964 -6.853 -9.999 338 HD21 LEU 40 1HD2 LEU 40 0.612 -9.729 -9.543 339 HD22 LEU 40 2HD2 LEU 40 0.658 -8.286 -8.528 340 HD23 LEU 40 3HD2 LEU 40 2.159 -9.082 -9.005 341 H GLU 41 H GLU 41 -3.066 -7.361 -11.750 342 HA GLU 41 HA GLU 41 -3.026 -5.136 -13.427 343 HB2 GLU 41 2HB GLU 41 -5.240 -7.043 -12.703 344 HB3 GLU 41 1HB GLU 41 -5.435 -5.777 -13.905 345 HG2 GLU 41 2HG GLU 41 -3.487 -8.066 -13.994 346 HG3 GLU 41 1HG GLU 41 -4.924 -7.851 -14.995 347 H LEU 42 H LEU 42 -4.852 -5.758 -10.470 348 HA LEU 42 HA LEU 42 -6.318 -3.357 -10.451 349 HB2 LEU 42 2HB LEU 42 -5.380 -5.071 -8.148 350 HB3 LEU 42 1HB LEU 42 -6.554 -3.777 -8.009 351 HG LEU 42 HG LEU 42 -6.933 -6.271 -9.670 352 HD11 LEU 42 1HD1 LEU 42 -8.071 -5.525 -6.981 353 HD12 LEU 42 2HD1 LEU 42 -6.883 -6.789 -7.293 354 HD13 LEU 42 3HD1 LEU 42 -8.519 -6.937 -7.935 355 HD21 LEU 42 1HD2 LEU 42 -8.171 -4.369 -10.539 356 HD22 LEU 42 2HD2 LEU 42 -8.824 -4.037 -8.936 357 HD23 LEU 42 3HD2 LEU 42 -9.271 -5.520 -9.780 358 H ILE 43 H ILE 43 -3.274 -4.242 -8.850 359 HA ILE 43 HA ILE 43 -2.746 -1.832 -7.571 360 HB ILE 43 HB ILE 43 -0.783 -3.832 -8.714 361 HG12 ILE 43 2HG1 ILE 43 -2.321 -4.738 -7.010 362 HG13 ILE 43 1HG1 ILE 43 -0.657 -4.701 -6.443 363 HG21 ILE 43 1HG2 ILE 43 0.382 -1.759 -8.397 364 HG22 ILE 43 2HG2 ILE 43 0.829 -2.863 -7.093 365 HG23 ILE 43 3HG2 ILE 43 -0.319 -1.561 -6.792 366 HD11 ILE 43 1HD1 ILE 43 -2.864 -2.795 -5.701 367 HD12 ILE 43 2HD1 ILE 43 -1.179 -2.615 -5.217 368 HD13 ILE 43 3HD1 ILE 43 -2.105 -4.010 -4.671 369 H ASN 44 H ASN 44 -1.549 -2.892 -10.767 370 HA ASN 44 HA ASN 44 -0.218 -0.494 -11.386 371 HB2 ASN 44 2HB ASN 44 -1.279 -2.730 -13.089 372 HB3 ASN 44 1HB ASN 44 -0.587 -1.292 -13.831 373 HD21 ASN 44 1HD2 ASN 44 0.048 -4.154 -11.985 374 HD22 ASN 44 2HD2 ASN 44 1.777 -4.077 -12.098 375 H GLY 45 H GLY 45 -3.555 -1.451 -11.783 376 HA2 GLY 45 2HA GLY 45 -4.397 0.625 -13.476 377 HA3 GLY 45 1HA GLY 45 -5.421 -0.245 -12.340 378 H TYR 46 H TYR 46 -4.116 0.452 -9.954 379 HA TYR 46 HA TYR 46 -5.200 3.076 -9.554 380 HB2 TYR 46 2HB TYR 46 -3.546 1.430 -7.624 381 HB3 TYR 46 1HB TYR 46 -4.573 2.801 -7.222 382 HD1 TYR 46 1HD TYR 46 -7.043 2.255 -8.647 383 HD2 TYR 46 2HD TYR 46 -4.452 -0.440 -6.615 384 HE1 TYR 46 1HE TYR 46 -8.924 0.716 -8.298 385 HE2 TYR 46 2HE TYR 46 -6.328 -1.986 -6.263 386 HH TYR 46 HH TYR 46 -9.309 -1.630 -7.888 387 H ILE 47 H ILE 47 -1.969 1.660 -9.676 388 HA ILE 47 HA ILE 47 -0.427 3.822 -8.897 389 HB ILE 47 HB ILE 47 0.184 1.687 -10.953 390 HG12 ILE 47 2HG1 ILE 47 0.983 2.002 -8.052 391 HG13 ILE 47 1HG1 ILE 47 -0.205 0.864 -8.680 392 HG21 ILE 47 1HG2 ILE 47 2.087 3.639 -9.674 393 HG22 ILE 47 2HG2 ILE 47 1.615 3.606 -11.373 394 HG23 ILE 47 3HG2 ILE 47 2.545 2.273 -10.689 395 HD11 ILE 47 1HD1 ILE 47 1.925 -0.216 -8.199 396 HD12 ILE 47 2HD1 ILE 47 2.735 0.868 -9.329 397 HD13 ILE 47 3HD1 ILE 47 1.544 -0.289 -9.919 398 H GLN 48 H GLN 48 -1.840 3.179 -12.071 399 HA GLN 48 HA GLN 48 -0.586 5.385 -13.354 400 HB2 GLN 48 2HB GLN 48 -3.049 3.799 -14.074 401 HB3 GLN 48 1HB GLN 48 -2.379 5.063 -15.094 402 HG2 GLN 48 2HG GLN 48 -0.932 2.559 -14.248 403 HG3 GLN 48 1HG GLN 48 -1.712 2.813 -15.807 404 HE21 GLN 48 1HE2 GLN 48 0.192 2.545 -16.935 405 HE22 GLN 48 2HE2 GLN 48 1.454 3.729 -16.934 406 H LYS 49 H LYS 49 -3.732 4.930 -11.826 407 HA LYS 49 HA LYS 49 -4.795 7.458 -12.447 408 HB2 LYS 49 2HB LYS 49 -5.413 5.520 -10.230 409 HB3 LYS 49 1HB LYS 49 -6.317 7.005 -10.482 410 HG2 LYS 49 2HG LYS 49 -6.940 6.244 -12.717 411 HG3 LYS 49 1HG LYS 49 -6.039 4.748 -12.452 412 HD2 LYS 49 2HD LYS 49 -7.502 4.106 -10.673 413 HD3 LYS 49 1HD LYS 49 -8.304 5.678 -10.699 414 HE2 LYS 49 2HE LYS 49 -9.108 5.206 -12.972 415 HE3 LYS 49 1HE LYS 49 -8.339 3.621 -12.902 416 HZ1 LYS 49 1HZ LYS 49 -10.389 4.519 -10.958 417 HZ2 LYS 49 2HZ LYS 49 -9.800 2.948 -11.188 418 HZ3 LYS 49 3HZ LYS 49 -10.767 3.666 -12.371 419 H ILE 50 H ILE 50 -2.766 6.347 -9.820 420 HA ILE 50 HA ILE 50 -3.031 8.657 -8.202 421 HB ILE 50 HB ILE 50 -0.777 6.633 -8.301 422 HG12 ILE 50 2HG1 ILE 50 -3.105 6.797 -6.378 423 HG13 ILE 50 1HG1 ILE 50 -3.098 5.768 -7.805 424 HG21 ILE 50 1HG2 ILE 50 -1.488 8.658 -6.175 425 HG22 ILE 50 2HG2 ILE 50 -0.061 8.691 -7.212 426 HG23 ILE 50 3HG2 ILE 50 -0.257 7.405 -6.022 427 HD11 ILE 50 1HD1 ILE 50 -1.154 5.596 -5.516 428 HD12 ILE 50 2HD1 ILE 50 -1.199 4.539 -6.926 429 HD13 ILE 50 3HD1 ILE 50 -2.537 4.535 -5.778 430 H LYS 51 H LYS 51 -0.803 7.776 -10.805 431 HA LYS 51 HA LYS 51 0.843 10.098 -10.420 432 HB2 LYS 51 2HB LYS 51 0.668 8.130 -12.696 433 HB3 LYS 51 1HB LYS 51 1.785 9.485 -12.681 434 HG2 LYS 51 2HG LYS 51 2.655 8.537 -10.489 435 HG3 LYS 51 1HG LYS 51 1.739 7.082 -10.888 436 HD2 LYS 51 2HD LYS 51 3.835 8.340 -12.663 437 HD3 LYS 51 1HD LYS 51 4.126 6.978 -11.587 438 HE2 LYS 51 2HE LYS 51 2.135 7.016 -13.856 439 HE3 LYS 51 1HE LYS 51 3.739 6.291 -13.929 440 HZ1 LYS 51 1HZ LYS 51 3.097 4.764 -12.186 441 HZ2 LYS 51 2HZ LYS 51 2.034 4.645 -13.494 442 HZ3 LYS 51 3HZ LYS 51 1.557 5.462 -12.091 443 H SER 52 H SER 52 -1.755 9.209 -12.633 444 HA SER 52 HA SER 52 -1.624 11.635 -14.125 445 HB2 SER 52 2HB SER 52 -2.564 9.536 -15.032 446 HB3 SER 52 1HB SER 52 -3.894 9.647 -13.885 447 HG SER 52 HG SER 52 -4.819 11.129 -15.073 448 H GLY 53 H GLY 53 -3.212 10.650 -11.202 449 HA2 GLY 53 2HA GLY 53 -4.153 12.038 -9.598 450 HA3 GLY 53 1HA GLY 53 -4.074 13.375 -10.739 451 H GLU 54 H GLU 54 -5.535 10.197 -11.144 452 HA GLU 54 HA GLU 54 -7.993 11.416 -12.075 453 HB2 GLU 54 2HB GLU 54 -7.352 8.489 -11.676 454 HB3 GLU 54 1HB GLU 54 -8.703 9.148 -12.585 455 HG2 GLU 54 2HG GLU 54 -5.791 9.422 -13.281 456 HG3 GLU 54 1HG GLU 54 -6.954 8.355 -14.063 457 H GLU 55 H GLU 55 -7.157 9.039 -9.578 458 HA GLU 55 HA GLU 55 -9.432 10.028 -8.015 459 HB2 GLU 55 2HB GLU 55 -8.330 7.217 -8.170 460 HB3 GLU 55 1HB GLU 55 -9.541 7.742 -7.011 461 HG2 GLU 55 2HG GLU 55 -11.029 8.328 -8.899 462 HG3 GLU 55 1HG GLU 55 -9.827 7.671 -10.007 463 H ASP 56 H ASP 56 -9.144 9.991 -5.721 464 HA ASP 56 HA ASP 56 -6.438 10.736 -5.027 465 HB2 ASP 56 2HB ASP 56 -9.030 10.868 -3.497 466 HB3 ASP 56 1HB ASP 56 -7.478 11.342 -2.813 467 H PHE 57 H PHE 57 -5.117 9.734 -3.626 468 HA PHE 57 HA PHE 57 -5.266 6.950 -3.488 469 HB2 PHE 57 2HB PHE 57 -3.174 8.328 -3.378 470 HB3 PHE 57 1HB PHE 57 -3.583 8.712 -1.710 471 HD1 PHE 57 1HD PHE 57 -3.322 7.087 0.038 472 HD2 PHE 57 2HD PHE 57 -2.544 6.069 -4.011 473 HE1 PHE 57 1HE PHE 57 -2.219 5.016 0.772 474 HE2 PHE 57 2HE PHE 57 -1.439 3.998 -3.286 475 HZ PHE 57 HZ PHE 57 -1.277 3.469 -0.890 476 H GLU 58 H GLU 58 -6.027 9.413 -1.060 477 HA GLU 58 HA GLU 58 -6.465 7.724 1.119 478 HB2 GLU 58 2HB GLU 58 -7.735 10.344 0.365 479 HB3 GLU 58 1HB GLU 58 -8.106 9.517 1.870 480 HG2 GLU 58 2HG GLU 58 -5.737 9.625 2.489 481 HG3 GLU 58 1HG GLU 58 -5.407 10.505 0.997 482 H SER 59 H SER 59 -8.707 8.742 -1.420 483 HA SER 59 HA SER 59 -10.947 7.364 -0.391 484 HB2 SER 59 2HB SER 59 -11.085 9.225 -2.040 485 HB3 SER 59 1HB SER 59 -10.375 8.168 -3.258 486 HG SER 59 HG SER 59 -12.219 7.149 -3.470 487 H LEU 60 H LEU 60 -8.405 6.499 -2.688 488 HA LEU 60 HA LEU 60 -9.493 4.019 -3.492 489 HB2 LEU 60 2HB LEU 60 -6.608 4.909 -3.406 490 HB3 LEU 60 1HB LEU 60 -7.201 3.496 -4.253 491 HG LEU 60 HG LEU 60 -7.910 6.359 -4.905 492 HD11 LEU 60 1HD1 LEU 60 -6.140 4.389 -6.343 493 HD12 LEU 60 2HD1 LEU 60 -5.602 5.817 -5.461 494 HD13 LEU 60 3HD1 LEU 60 -6.578 5.997 -6.918 495 HD21 LEU 60 1HD2 LEU 60 -9.740 4.854 -5.430 496 HD22 LEU 60 2HD2 LEU 60 -8.635 3.777 -6.285 497 HD23 LEU 60 3HD2 LEU 60 -8.951 5.395 -6.911 498 H ALA 61 H ALA 61 -7.075 4.852 -1.036 499 HA ALA 61 HA ALA 61 -6.568 2.222 -0.180 500 HB1 ALA 61 1HB ALA 61 -5.060 4.104 0.261 501 HB2 ALA 61 2HB ALA 61 -5.480 3.235 1.738 502 HB3 ALA 61 3HB ALA 61 -6.246 4.782 1.377 503 H SER 62 H SER 62 -9.023 4.535 0.732 504 HA SER 62 HA SER 62 -9.834 3.056 3.063 505 HB2 SER 62 2HB SER 62 -11.176 5.367 1.645 506 HB3 SER 62 1HB SER 62 -11.642 4.721 3.219 507 HG SER 62 HG SER 62 -9.184 5.966 2.515 508 H GLN 63 H GLN 63 -10.204 2.330 -0.105 509 HA GLN 63 HA GLN 63 -12.797 1.040 0.407 510 HB2 GLN 63 2HB GLN 63 -12.006 2.519 -2.093 511 HB3 GLN 63 1HB GLN 63 -13.398 1.451 -1.992 512 HG2 GLN 63 2HG GLN 63 -14.359 2.874 -0.249 513 HG3 GLN 63 1HG GLN 63 -12.965 3.944 -0.359 514 HE21 GLN 63 1HE2 GLN 63 -12.777 3.709 -3.252 515 HE22 GLN 63 2HE2 GLN 63 -14.080 4.637 -3.902 516 H PHE 64 H PHE 64 -9.770 0.935 -1.427 517 HA PHE 64 HA PHE 64 -10.526 -1.705 -2.417 518 HB2 PHE 64 2HB PHE 64 -8.284 0.118 -3.251 519 HB3 PHE 64 1HB PHE 64 -8.592 -1.472 -3.944 520 HD1 PHE 64 1HD PHE 64 -11.087 -1.822 -4.766 521 HD2 PHE 64 2HD PHE 64 -9.165 1.948 -4.326 522 HE1 PHE 64 1HE PHE 64 -12.681 -0.829 -6.353 523 HE2 PHE 64 2HE PHE 64 -10.757 2.946 -5.912 524 HZ PHE 64 HZ PHE 64 -12.515 1.558 -6.926 525 H SER 65 H SER 65 -8.726 -0.472 0.133 526 HA SER 65 HA SER 65 -6.748 -2.561 0.147 527 HB2 SER 65 2HB SER 65 -7.600 -0.660 2.348 528 HB3 SER 65 1HB SER 65 -6.198 -1.728 2.409 529 HG SER 65 HG SER 65 -6.418 0.700 1.328 530 H ASP 66 H ASP 66 -7.090 -4.586 0.757 531 HA ASP 66 HA ASP 66 -9.647 -5.466 1.673 532 HB2 ASP 66 2HB ASP 66 -7.027 -6.963 1.515 533 HB3 ASP 66 1HB ASP 66 -8.583 -7.706 1.859 534 H CYS 67 H CYS 67 -6.971 -4.275 3.334 535 HA CYS 67 HA CYS 67 -7.478 -5.752 5.775 536 HB2 CYS 67 2HB CYS 67 -5.623 -4.293 6.654 537 HB3 CYS 67 1HB CYS 67 -5.190 -5.350 5.316 538 HG CYS 67 HG CYS 67 -3.912 -2.828 5.079 539 H SER 68 H SER 68 -7.683 -4.508 7.842 540 HA SER 68 HA SER 68 -9.945 -2.830 7.751 541 HB2 SER 68 2HB SER 68 -9.406 -2.530 10.224 542 HB3 SER 68 1HB SER 68 -9.673 -4.183 9.668 543 HG SER 68 HG SER 68 -7.782 -3.806 11.042 544 H SER 69 H SER 69 -6.710 -2.170 7.218 545 HA SER 69 HA SER 69 -6.375 0.385 8.302 546 HB2 SER 69 2HB SER 69 -4.554 -1.061 7.342 547 HB3 SER 69 1HB SER 69 -5.164 -0.673 5.736 548 HG SER 69 HG SER 69 -4.834 1.606 7.072 549 H ALA 70 H ALA 70 -8.227 -0.747 5.627 550 HA ALA 70 HA ALA 70 -8.444 1.561 4.067 551 HB1 ALA 70 1HB ALA 70 -10.515 0.603 3.232 552 HB2 ALA 70 2HB ALA 70 -10.579 -0.506 4.601 553 HB3 ALA 70 3HB ALA 70 -9.297 -0.662 3.403 554 H LYS 71 H LYS 71 -10.161 0.555 6.985 555 HA LYS 71 HA LYS 71 -11.884 2.854 6.928 556 HB2 LYS 71 2HB LYS 71 -11.454 0.679 8.966 557 HB3 LYS 71 1HB LYS 71 -12.545 2.031 9.239 558 HG2 LYS 71 2HG LYS 71 -12.760 0.063 6.970 559 HG3 LYS 71 1HG LYS 71 -13.713 0.018 8.453 560 HD2 LYS 71 2HD LYS 71 -14.603 2.256 7.908 561 HD3 LYS 71 1HD LYS 71 -13.692 2.229 6.399 562 HE2 LYS 71 2HE LYS 71 -14.934 0.255 5.680 563 HE3 LYS 71 1HE LYS 71 -15.836 0.266 7.195 564 HZ1 LYS 71 1HZ LYS 71 -17.076 1.284 5.377 565 HZ2 LYS 71 2HZ LYS 71 -15.856 2.441 5.176 566 HZ3 LYS 71 3HZ LYS 71 -16.758 2.407 6.603 567 H ALA 72 H ALA 72 -8.738 2.334 7.784 568 HA ALA 72 HA ALA 72 -8.699 4.439 9.808 569 HB1 ALA 72 1HB ALA 72 -6.356 3.804 10.135 570 HB2 ALA 72 2HB ALA 72 -6.480 2.651 8.805 571 HB3 ALA 72 3HB ALA 72 -7.418 2.404 10.278 572 H ARG 73 H ARG 73 -9.079 4.533 6.736 573 HA ARG 73 HA ARG 73 -8.895 6.204 5.213 574 HB2 ARG 73 2HB ARG 73 -8.510 7.737 7.204 575 HB3 ARG 73 1HB ARG 73 -6.788 7.530 6.925 576 HG2 ARG 73 2HG ARG 73 -7.466 9.582 5.921 577 HG3 ARG 73 1HG ARG 73 -7.120 8.432 4.628 578 HD2 ARG 73 2HD ARG 73 -9.520 7.945 4.444 579 HD3 ARG 73 1HD ARG 73 -9.847 9.135 5.703 580 HE ARG 73 HE ARG 73 -8.419 10.455 3.743 581 HH11 ARG 73 1HH1 ARG 73 -11.488 8.777 4.024 582 HH12 ARG 73 2HH1 ARG 73 -12.248 9.659 2.744 583 HH21 ARG 73 1HH2 ARG 73 -9.424 11.637 2.033 584 HH22 ARG 73 2HH2 ARG 73 -11.063 11.301 1.608 585 H GLY 74 H GLY 74 -6.184 4.470 6.378 586 HA2 GLY 74 2HA GLY 74 -4.690 3.326 4.951 587 HA3 GLY 74 1HA GLY 74 -5.066 4.481 3.678 588 H ASP 75 H ASP 75 -4.716 6.484 6.073 589 HA ASP 75 HA ASP 75 -1.828 6.810 5.641 590 HB2 ASP 75 2HB ASP 75 -3.236 8.698 4.896 591 HB3 ASP 75 1HB ASP 75 -3.890 8.849 6.523 592 H LEU 76 H LEU 76 -0.449 7.010 7.373 593 HA LEU 76 HA LEU 76 -1.660 6.493 10.010 594 HB2 LEU 76 2HB LEU 76 1.073 5.574 9.129 595 HB3 LEU 76 1HB LEU 76 0.242 5.155 10.610 596 HG LEU 76 HG LEU 76 -1.518 4.135 8.899 597 HD11 LEU 76 1HD1 LEU 76 1.085 3.986 7.394 598 HD12 LEU 76 2HD1 LEU 76 -0.356 4.875 6.903 599 HD13 LEU 76 3HD1 LEU 76 -0.395 3.115 6.992 600 HD21 LEU 76 1HD2 LEU 76 -0.428 2.892 10.661 601 HD22 LEU 76 2HD2 LEU 76 1.067 2.831 9.730 602 HD23 LEU 76 3HD2 LEU 76 -0.364 1.974 9.156 603 H GLY 77 H GLY 77 -0.707 8.985 8.513 604 HA2 GLY 77 2HA GLY 77 0.316 10.950 9.059 605 HA3 GLY 77 1HA GLY 77 0.342 10.370 10.722 606 H ALA 78 H ALA 78 2.405 11.271 11.032 607 HA ALA 78 HA ALA 78 4.605 10.309 9.438 608 HB1 ALA 78 1HB ALA 78 5.992 11.643 10.933 609 HB2 ALA 78 2HB ALA 78 4.623 11.889 12.013 610 HB3 ALA 78 3HB ALA 78 4.603 12.582 10.393 611 H PHE 79 H PHE 79 5.549 8.403 9.750 612 HA PHE 79 HA PHE 79 5.323 7.197 12.418 613 HB2 PHE 79 2HB PHE 79 5.273 4.971 11.308 614 HB3 PHE 79 1HB PHE 79 3.877 5.972 10.942 615 HD1 PHE 79 1HD PHE 79 3.400 6.649 8.718 616 HD2 PHE 79 2HD PHE 79 7.021 4.597 9.597 617 HE1 PHE 79 1HE PHE 79 3.777 6.293 6.317 618 HE2 PHE 79 2HE PHE 79 7.407 4.242 7.195 619 HZ PHE 79 HZ PHE 79 5.784 5.090 5.553 620 H SER 80 H SER 80 6.993 5.846 13.113 621 HA SER 80 HA SER 80 9.593 6.666 12.146 622 HB2 SER 80 2HB SER 80 8.829 4.916 14.494 623 HB3 SER 80 1HB SER 80 10.432 5.576 14.171 624 HG SER 80 HG SER 80 8.134 7.213 14.478 625 H ARG 81 H ARG 81 11.301 4.773 12.279 626 HA ARG 81 HA ARG 81 10.674 3.081 10.088 627 HB2 ARG 81 2HB ARG 81 13.068 3.100 11.920 628 HB3 ARG 81 1HB ARG 81 12.943 2.153 10.444 629 HG2 ARG 81 2HG ARG 81 12.647 4.274 9.184 630 HG3 ARG 81 1HG ARG 81 12.960 5.152 10.680 631 HD2 ARG 81 2HD ARG 81 14.984 5.018 9.381 632 HD3 ARG 81 1HD ARG 81 15.155 4.036 10.835 633 HE ARG 81 HE ARG 81 14.427 2.152 9.194 634 HH11 ARG 81 1HH1 ARG 81 16.579 4.839 8.491 635 HH12 ARG 81 2HH1 ARG 81 17.450 3.997 7.249 636 HH21 ARG 81 1HH2 ARG 81 15.586 1.022 7.556 637 HH22 ARG 81 2HH2 ARG 81 16.889 1.818 6.733 638 H GLY 82 H GLY 82 11.048 2.491 13.557 639 HA2 GLY 82 2HA GLY 82 10.865 -0.358 13.312 640 HA3 GLY 82 1HA GLY 82 10.799 0.563 14.803 641 H GLN 83 H GLN 83 8.573 1.306 12.254 642 HA GLN 83 HA GLN 83 6.425 -0.004 13.790 643 HB2 GLN 83 2HB GLN 83 6.241 2.478 12.078 644 HB3 GLN 83 1HB GLN 83 4.921 1.740 12.969 645 HG2 GLN 83 2HG GLN 83 6.055 2.237 15.069 646 HG3 GLN 83 1HG GLN 83 7.392 2.959 14.175 647 HE21 GLN 83 1HE2 GLN 83 4.052 3.293 13.232 648 HE22 GLN 83 2HE2 GLN 83 3.914 4.976 13.589 649 H MET 84 H MET 84 8.097 0.060 10.861 650 HA MET 84 HA MET 84 5.850 -1.246 9.478 651 HB2 MET 84 2HB MET 84 7.966 0.569 8.331 652 HB3 MET 84 1HB MET 84 6.855 -0.383 7.357 653 HG2 MET 84 2HG MET 84 6.044 1.724 9.344 654 HG3 MET 84 1HG MET 84 6.158 1.957 7.601 655 HE1 MET 84 1HE MET 84 2.298 1.969 8.225 656 HE2 MET 84 2HE MET 84 3.679 2.859 7.584 657 HE3 MET 84 3HE MET 84 3.528 2.597 9.320 658 H GLN 85 H GLN 85 6.521 -2.695 7.714 659 HA GLN 85 HA GLN 85 8.443 -4.597 8.622 660 HB2 GLN 85 2HB GLN 85 6.877 -4.375 6.049 661 HB3 GLN 85 1HB GLN 85 7.910 -5.738 6.441 662 HG2 GLN 85 2HG GLN 85 5.478 -4.858 7.982 663 HG3 GLN 85 1HG GLN 85 5.575 -6.237 6.887 664 HE21 GLN 85 1HE2 GLN 85 6.402 -4.990 10.008 665 HE22 GLN 85 2HE2 GLN 85 6.941 -6.484 10.688 666 H LYS 86 H LYS 86 10.239 -5.409 7.245 667 HA LYS 86 HA LYS 86 12.117 -3.430 6.772 668 HB2 LYS 86 2HB LYS 86 12.075 -6.240 5.658 669 HB3 LYS 86 1HB LYS 86 13.469 -5.175 5.609 670 HG2 LYS 86 2HG LYS 86 12.115 -6.201 8.095 671 HG3 LYS 86 1HG LYS 86 13.628 -6.798 7.420 672 HD2 LYS 86 2HD LYS 86 13.177 -3.962 8.366 673 HD3 LYS 86 1HD LYS 86 13.931 -5.228 9.330 674 HE2 LYS 86 2HE LYS 86 14.953 -4.247 6.664 675 HE3 LYS 86 1HE LYS 86 15.566 -3.727 8.229 676 HZ1 LYS 86 1HZ LYS 86 15.641 -6.495 7.160 677 HZ2 LYS 86 2HZ LYS 86 16.173 -6.031 8.694 678 HZ3 LYS 86 3HZ LYS 86 16.954 -5.440 7.318 679 HA PRO 87 HA PRO 87 11.434 -3.778 1.947 680 HB2 PRO 87 2HB PRO 87 8.908 -4.611 1.210 681 HB3 PRO 87 1HB PRO 87 10.334 -5.655 1.229 682 HG2 PRO 87 2HG PRO 87 8.171 -5.360 3.276 683 HG3 PRO 87 1HG PRO 87 8.964 -6.834 2.688 684 HD2 PRO 87 2HD PRO 87 9.624 -5.745 5.039 685 HD3 PRO 87 1HD PRO 87 10.850 -6.489 3.990 686 H PHE 88 H PHE 88 8.614 -3.187 3.997 687 HA PHE 88 HA PHE 88 7.518 -1.076 2.462 688 HB2 PHE 88 2HB PHE 88 6.330 -2.430 4.256 689 HB3 PHE 88 1HB PHE 88 7.208 -1.483 5.446 690 HD1 PHE 88 1HD PHE 88 6.881 1.082 5.362 691 HD2 PHE 88 2HD PHE 88 4.295 -1.691 3.430 692 HE1 PHE 88 1HE PHE 88 5.109 2.786 5.299 693 HE2 PHE 88 2HE PHE 88 2.519 0.011 3.362 694 HZ PHE 88 HZ PHE 88 2.925 2.253 4.302 695 H GLU 89 H GLU 89 9.602 -1.156 5.327 696 HA GLU 89 HA GLU 89 9.898 1.575 5.761 697 HB2 GLU 89 2HB GLU 89 10.651 -0.083 7.361 698 HB3 GLU 89 1HB GLU 89 11.845 -0.690 6.222 699 HG2 GLU 89 2HG GLU 89 12.857 1.640 6.297 700 HG3 GLU 89 1HG GLU 89 11.829 1.914 7.702 701 H ASP 90 H ASP 90 11.875 -0.619 3.790 702 HA ASP 90 HA ASP 90 13.832 1.206 2.990 703 HB2 ASP 90 2HB ASP 90 14.026 -1.232 2.663 704 HB3 ASP 90 1HB ASP 90 12.770 -1.163 1.434 705 H ALA 91 H ALA 91 10.710 0.449 1.573 706 HA ALA 91 HA ALA 91 11.084 2.131 -0.710 707 HB1 ALA 91 1HB ALA 91 8.738 1.641 -1.182 708 HB2 ALA 91 2HB ALA 91 8.585 0.877 0.401 709 HB3 ALA 91 3HB ALA 91 9.652 0.178 -0.817 710 H ALA 92 H ALA 92 9.114 2.398 2.251 711 HA ALA 92 HA ALA 92 7.883 4.837 1.634 712 HB1 ALA 92 1HB ALA 92 7.294 4.965 3.980 713 HB2 ALA 92 2HB ALA 92 8.497 3.736 4.369 714 HB3 ALA 92 3HB ALA 92 7.095 3.316 3.385 715 H PHE 93 H PHE 93 10.861 4.209 3.465 716 HA PHE 93 HA PHE 93 11.233 7.020 3.969 717 HB2 PHE 93 2HB PHE 93 12.880 4.585 4.617 718 HB3 PHE 93 1HB PHE 93 13.459 6.216 4.937 719 HD1 PHE 93 1HD PHE 93 12.609 7.496 6.748 720 HD2 PHE 93 2HD PHE 93 10.878 3.731 5.791 721 HE1 PHE 93 1HE PHE 93 11.366 7.533 8.871 722 HE2 PHE 93 2HE PHE 93 9.633 3.759 7.914 723 HZ PHE 93 HZ PHE 93 9.877 5.664 9.455 724 H ALA 94 H ALA 94 11.462 5.490 1.214 725 HA ALA 94 HA ALA 94 13.841 6.992 0.346 726 HB1 ALA 94 1HB ALA 94 14.013 5.427 -1.524 727 HB2 ALA 94 2HB ALA 94 12.592 4.563 -0.940 728 HB3 ALA 94 3HB ALA 94 14.073 4.573 0.017 729 H LEU 95 H LEU 95 10.728 7.408 0.603 730 HA LEU 95 HA LEU 95 10.301 8.437 -2.118 731 HB2 LEU 95 2HB LEU 95 8.283 7.899 0.054 732 HB3 LEU 95 1HB LEU 95 7.925 8.482 -1.555 733 HG LEU 95 HG LEU 95 9.030 5.768 -0.858 734 HD11 LEU 95 1HD1 LEU 95 6.325 6.634 -1.857 735 HD12 LEU 95 2HD1 LEU 95 6.701 6.065 -0.232 736 HD13 LEU 95 3HD1 LEU 95 6.848 4.971 -1.605 737 HD21 LEU 95 1HD2 LEU 95 9.878 6.528 -3.005 738 HD22 LEU 95 2HD2 LEU 95 8.244 6.946 -3.522 739 HD23 LEU 95 3HD2 LEU 95 8.675 5.261 -3.233 740 H ARG 96 H ARG 96 10.474 10.549 -2.378 741 HA ARG 96 HA ARG 96 10.305 12.330 -0.082 742 HB2 ARG 96 2HB ARG 96 10.972 12.805 -2.991 743 HB3 ARG 96 1HB ARG 96 10.939 14.068 -1.771 744 HG2 ARG 96 2HG ARG 96 12.752 13.044 -0.578 745 HG3 ARG 96 1HG ARG 96 12.720 11.646 -1.655 746 HD2 ARG 96 2HD ARG 96 14.530 13.217 -2.207 747 HD3 ARG 96 1HD ARG 96 13.373 13.031 -3.525 748 HE ARG 96 HE ARG 96 12.647 15.229 -1.907 749 HH11 ARG 96 1HH1 ARG 96 15.064 14.267 -4.261 750 HH12 ARG 96 2HH1 ARG 96 15.315 15.870 -4.857 751 HH21 ARG 96 1HH2 ARG 96 12.982 17.358 -2.672 752 HH22 ARG 96 2HH2 ARG 96 14.128 17.647 -3.934 753 H THR 97 H THR 97 9.016 14.428 -0.490 754 HA THR 97 HA THR 97 6.318 13.854 -0.594 755 HB THR 97 HB THR 97 7.544 16.527 -1.291 756 HG1 THR 97 1HG THR 97 6.958 15.356 1.263 757 HG21 THR 97 1HG2 THR 97 4.910 15.810 0.012 758 HG22 THR 97 2HG2 THR 97 5.113 16.337 -1.658 759 HG23 THR 97 3HG2 THR 97 5.492 17.439 -0.336 760 H GLY 98 H GLY 98 5.355 12.895 -2.300 761 HA2 GLY 98 2HA GLY 98 4.163 13.500 -4.360 762 HA3 GLY 98 1HA GLY 98 5.662 14.223 -4.914 763 H GLU 99 H GLU 99 6.881 11.660 -3.510 764 HA GLU 99 HA GLU 99 6.894 10.169 -5.996 765 HB2 GLU 99 2HB GLU 99 8.498 9.827 -3.470 766 HB3 GLU 99 1HB GLU 99 8.652 8.793 -4.881 767 HG2 GLU 99 2HG GLU 99 9.219 10.855 -6.193 768 HG3 GLU 99 1HG GLU 99 9.305 11.711 -4.653 769 H MET 100 H MET 100 6.544 7.952 -6.131 770 HA MET 100 HA MET 100 4.989 6.737 -3.967 771 HB2 MET 100 2HB MET 100 3.375 7.559 -5.590 772 HB3 MET 100 1HB MET 100 4.261 6.792 -6.898 773 HG2 MET 100 2HG MET 100 3.743 4.598 -5.981 774 HG3 MET 100 1HG MET 100 2.877 5.355 -4.645 775 HE1 MET 100 1HE MET 100 3.068 5.058 -8.533 776 HE2 MET 100 2HE MET 100 2.762 6.783 -8.319 777 HE3 MET 100 3HE MET 100 1.524 5.749 -9.032 778 H SER 101 H SER 101 5.646 4.732 -3.525 779 HA SER 101 HA SER 101 7.935 3.682 -4.833 780 HB2 SER 101 2HB SER 101 7.451 3.321 -2.425 781 HB3 SER 101 1HB SER 101 6.082 2.303 -2.874 782 HG SER 101 HG SER 101 7.427 0.768 -3.576 783 H GLY 102 H GLY 102 4.557 2.615 -4.676 784 HA2 GLY 102 2HA GLY 102 3.505 1.868 -6.730 785 HA3 GLY 102 1HA GLY 102 5.042 1.130 -7.163 786 HA PRO 103 HA PRO 103 2.887 -2.322 -5.285 787 HB2 PRO 103 2HB PRO 103 3.953 -4.248 -6.807 788 HB3 PRO 103 1HB PRO 103 2.718 -3.152 -7.431 789 HG2 PRO 103 2HG PRO 103 5.641 -3.192 -7.949 790 HG3 PRO 103 1HG PRO 103 4.317 -2.681 -9.007 791 HD2 PRO 103 2HD PRO 103 6.001 -1.008 -7.463 792 HD3 PRO 103 1HD PRO 103 4.530 -0.527 -8.331 793 H VAL 104 H VAL 104 3.753 -2.502 -3.250 794 HA VAL 104 HA VAL 104 6.414 -3.708 -2.978 795 HB VAL 104 HB VAL 104 4.564 -2.645 -0.820 796 HG11 VAL 104 1HG1 VAL 104 7.461 -3.486 -0.683 797 HG12 VAL 104 2HG1 VAL 104 6.091 -4.354 0.012 798 HG13 VAL 104 3HG1 VAL 104 6.536 -2.764 0.634 799 HG21 VAL 104 1HG2 VAL 104 5.325 -0.853 -2.280 800 HG22 VAL 104 2HG2 VAL 104 6.997 -1.377 -2.076 801 HG23 VAL 104 3HG2 VAL 104 6.100 -0.736 -0.700 802 H PHE 105 H PHE 105 6.348 -5.837 -3.170 803 HA PHE 105 HA PHE 105 3.943 -7.311 -2.590 804 HB2 PHE 105 2HB PHE 105 6.619 -8.287 -3.587 805 HB3 PHE 105 1HB PHE 105 5.138 -9.232 -3.524 806 HD1 PHE 105 1HD PHE 105 6.884 -6.485 -5.200 807 HD2 PHE 105 2HD PHE 105 3.395 -8.912 -5.134 808 HE1 PHE 105 1HE PHE 105 6.293 -5.681 -7.444 809 HE2 PHE 105 2HE PHE 105 2.796 -8.110 -7.378 810 HZ PHE 105 HZ PHE 105 4.248 -6.493 -8.536 811 H THR 106 H THR 106 3.467 -8.130 -0.720 812 HA THR 106 HA THR 106 5.593 -9.282 0.943 813 HB THR 106 HB THR 106 4.332 -8.596 2.971 814 HG1 THR 106 1HG THR 106 2.556 -7.723 1.049 815 HG21 THR 106 1HG2 THR 106 5.063 -6.268 1.186 816 HG22 THR 106 2HG2 THR 106 6.179 -7.175 2.207 817 HG23 THR 106 3HG2 THR 106 4.901 -6.207 2.941 818 H ASP 107 H ASP 107 4.577 -10.894 2.523 819 HA ASP 107 HA ASP 107 3.100 -12.767 1.018 820 HB2 ASP 107 2HB ASP 107 3.740 -12.660 3.964 821 HB3 ASP 107 1HB ASP 107 2.928 -14.022 3.195 822 H SER 108 H SER 108 2.118 -10.272 3.227 823 HA SER 108 HA SER 108 -0.555 -11.322 3.497 824 HB2 SER 108 2HB SER 108 0.582 -8.663 4.370 825 HB3 SER 108 1HB SER 108 -0.978 -9.334 4.848 826 HG SER 108 HG SER 108 0.574 -9.747 6.435 827 H GLY 109 H GLY 109 0.917 -9.910 0.958 828 HA2 GLY 109 2HA GLY 109 -0.794 -9.590 -0.889 829 HA3 GLY 109 1HA GLY 109 -1.478 -8.370 0.174 830 H ILE 110 H ILE 110 -1.071 -7.143 -1.914 831 HA ILE 110 HA ILE 110 1.711 -6.222 -2.103 832 HB ILE 110 HB ILE 110 -0.574 -5.615 -3.994 833 HG12 ILE 110 2HG1 ILE 110 1.593 -7.710 -4.290 834 HG13 ILE 110 1HG1 ILE 110 -0.079 -8.057 -3.868 835 HG21 ILE 110 1HG2 ILE 110 2.420 -5.330 -4.273 836 HG22 ILE 110 2HG2 ILE 110 1.258 -4.016 -4.094 837 HG23 ILE 110 3HG2 ILE 110 1.245 -5.014 -5.548 838 HD11 ILE 110 1HD1 ILE 110 0.876 -6.815 -6.439 839 HD12 ILE 110 2HD1 ILE 110 -0.802 -7.160 -6.022 840 HD13 ILE 110 3HD1 ILE 110 0.346 -8.483 -6.218 841 H HIS 111 H HIS 111 2.252 -4.298 -1.305 842 HA HIS 111 HA HIS 111 0.090 -2.516 -0.390 843 HB2 HIS 111 2HB HIS 111 2.997 -2.576 0.465 844 HB3 HIS 111 1HB HIS 111 1.762 -1.508 1.108 845 HD1 HIS 111 1HD HIS 111 0.715 -2.296 3.214 846 HD2 HIS 111 2HD HIS 111 2.358 -5.413 1.028 847 HE1 HIS 111 1HE HIS 111 0.514 -4.322 4.679 848 HE2 HIS 111 2HE HIS 111 1.765 -6.115 3.434 849 H ILE 112 H ILE 112 -0.134 -0.562 -1.260 850 HA ILE 112 HA ILE 112 1.952 0.402 -3.095 851 HB ILE 112 HB ILE 112 -0.869 1.461 -2.747 852 HG12 ILE 112 2HG1 ILE 112 0.233 -0.355 -4.906 853 HG13 ILE 112 1HG1 ILE 112 -0.877 -0.844 -3.631 854 HG21 ILE 112 1HG2 ILE 112 -0.438 2.625 -4.868 855 HG22 ILE 112 2HG2 ILE 112 1.207 1.991 -4.876 856 HG23 ILE 112 3HG2 ILE 112 0.702 3.114 -3.612 857 HD11 ILE 112 1HD1 ILE 112 -1.454 1.155 -5.808 858 HD12 ILE 112 2HD1 ILE 112 -2.568 0.677 -4.526 859 HD13 ILE 112 3HD1 ILE 112 -2.048 -0.503 -5.728 860 H ILE 113 H ILE 113 3.279 1.939 -2.345 861 HA ILE 113 HA ILE 113 2.413 3.434 0.042 862 HB ILE 113 HB ILE 113 5.260 3.019 -0.885 863 HG12 ILE 113 2HG1 ILE 113 3.757 1.550 1.294 864 HG13 ILE 113 1HG1 ILE 113 4.180 0.870 -0.273 865 HG21 ILE 113 1HG2 ILE 113 4.113 3.998 1.732 866 HG22 ILE 113 2HG2 ILE 113 4.912 4.990 0.513 867 HG23 ILE 113 3HG2 ILE 113 5.826 3.759 1.384 868 HD11 ILE 113 1HD1 ILE 113 6.110 1.798 1.839 869 HD12 ILE 113 2HD1 ILE 113 6.548 1.145 0.262 870 HD13 ILE 113 3HD1 ILE 113 5.719 0.126 1.438 871 H LEU 114 H LEU 114 2.018 5.507 -0.188 872 HA LEU 114 HA LEU 114 3.364 6.992 -2.345 873 HB2 LEU 114 2HB LEU 114 1.040 6.704 -2.947 874 HB3 LEU 114 1HB LEU 114 0.520 7.245 -1.365 875 HG LEU 114 HG LEU 114 1.478 9.501 -1.894 876 HD11 LEU 114 1HD1 LEU 114 1.715 8.369 -4.673 877 HD12 LEU 114 2HD1 LEU 114 3.057 8.817 -3.619 878 HD13 LEU 114 3HD1 LEU 114 1.949 10.054 -4.212 879 HD21 LEU 114 1HD2 LEU 114 -0.903 9.061 -2.102 880 HD22 LEU 114 2HD2 LEU 114 -0.664 8.471 -3.747 881 HD23 LEU 114 3HD2 LEU 114 -0.360 10.165 -3.365 882 H ARG 115 H ARG 115 4.464 8.743 -1.690 883 HA ARG 115 HA ARG 115 4.430 9.454 1.106 884 HB2 ARG 115 2HB ARG 115 6.536 9.412 -0.209 885 HB3 ARG 115 1HB ARG 115 5.921 10.728 -1.200 886 HG2 ARG 115 2HG ARG 115 7.328 11.778 0.326 887 HG3 ARG 115 1HG ARG 115 5.716 12.030 0.997 888 HD2 ARG 115 2HD ARG 115 6.112 9.985 2.410 889 HD3 ARG 115 1HD ARG 115 7.789 10.029 1.868 890 HE ARG 115 HE ARG 115 6.449 12.080 3.510 891 HH11 ARG 115 1HH1 ARG 115 9.423 10.697 2.228 892 HH12 ARG 115 2HH1 ARG 115 10.428 11.569 3.336 893 HH21 ARG 115 1HH2 ARG 115 7.769 13.205 4.942 894 HH22 ARG 115 2HH2 ARG 115 9.491 13.000 4.893 895 H THR 116 H THR 116 2.748 10.616 1.778 896 HA THR 116 HA THR 116 1.463 12.498 0.009 897 HB THR 116 HB THR 116 -0.032 12.789 2.110 898 HG1 THR 116 1HG THR 116 0.125 10.749 3.387 899 HG21 THR 116 1HG2 THR 116 0.153 10.155 0.636 900 HG22 THR 116 2HG2 THR 116 -0.725 11.587 0.100 901 HG23 THR 116 3HG2 THR 116 -1.252 10.717 1.539 902 H GLU 117 H GLU 117 3.669 12.529 2.673 903 HA GLU 117 HA GLU 117 4.045 15.375 2.332 904 HB2 GLU 117 2HB GLU 117 2.259 14.832 4.201 905 HB3 GLU 117 1HB GLU 117 3.674 14.408 5.149 906 HG2 GLU 117 2HG GLU 117 3.154 17.090 3.874 907 HG3 GLU 117 1HG GLU 117 2.917 16.697 5.573 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 22.084 15.749 -2.420 2 H2 GLY 1 2HT GLY 1 22.061 17.067 -1.364 3 H3 GLY 1 3HT GLY 1 21.359 17.202 -2.897 4 HA2 GLY 1 1HA GLY 1 19.666 16.947 -1.199 5 HA3 GLY 1 2HA GLY 1 19.679 15.588 -2.311 6 H SER 2 H SER 2 18.629 15.595 0.352 7 HA SER 2 HA SER 2 20.507 14.328 2.082 8 HB2 SER 2 2HB SER 2 17.497 14.464 2.306 9 HB3 SER 2 1HB SER 2 18.628 14.061 3.598 10 HG SER 2 HG SER 2 17.889 16.302 3.549 11 H HIS 3 H HIS 3 21.296 12.441 1.409 12 HA HIS 3 HA HIS 3 19.547 10.385 0.298 13 HB2 HIS 3 2HB HIS 3 22.539 10.529 0.703 14 HB3 HIS 3 1HB HIS 3 21.727 9.068 0.163 15 HD1 HIS 3 1HD HIS 3 21.534 8.818 -2.292 16 HD2 HIS 3 2HD HIS 3 22.074 12.782 -1.181 17 HE1 HIS 3 1HE HIS 3 21.800 10.086 -4.439 18 HE2 HIS 3 2HE HIS 3 21.934 12.501 -3.743 19 H MET 4 H MET 4 20.934 11.326 3.261 20 HA MET 4 HA MET 4 21.209 8.843 4.547 21 HB2 MET 4 2HB MET 4 20.600 11.548 5.749 22 HB3 MET 4 1HB MET 4 21.135 10.136 6.650 23 HG2 MET 4 2HG MET 4 23.239 10.141 5.426 24 HG3 MET 4 1HG MET 4 22.702 11.537 4.497 25 HE1 MET 4 1HE MET 4 24.799 12.998 5.097 26 HE2 MET 4 2HE MET 4 25.462 11.581 5.913 27 HE3 MET 4 3HE MET 4 25.448 13.144 6.731 28 H GLU 5 H GLU 5 19.863 7.663 5.837 29 HA GLU 5 HA GLU 5 17.117 7.668 5.158 30 HB2 GLU 5 2HB GLU 5 18.574 6.202 7.365 31 HB3 GLU 5 1HB GLU 5 16.905 5.910 6.915 32 HG2 GLU 5 2HG GLU 5 18.225 4.201 5.943 33 HG3 GLU 5 1HG GLU 5 17.714 5.270 4.641 34 HA PRO 6 HA PRO 6 15.749 10.580 8.240 35 HB2 PRO 6 2HB PRO 6 13.088 10.279 7.824 36 HB3 PRO 6 1HB PRO 6 14.127 11.195 6.727 37 HG2 PRO 6 2HG PRO 6 13.061 8.422 6.459 38 HG3 PRO 6 1HG PRO 6 13.256 9.673 5.221 39 HD2 PRO 6 2HD PRO 6 14.991 7.584 5.558 40 HD3 PRO 6 1HD PRO 6 15.454 9.150 4.863 41 H ALA 7 H ALA 7 14.110 10.528 10.085 42 HA ALA 7 HA ALA 7 14.433 7.979 11.460 43 HB1 ALA 7 1HB ALA 7 13.496 10.646 12.511 44 HB2 ALA 7 2HB ALA 7 15.136 10.006 12.620 45 HB3 ALA 7 3HB ALA 7 13.820 9.208 13.479 46 H ARG 8 H ARG 8 11.849 10.288 10.680 47 HA ARG 8 HA ARG 8 9.937 8.072 10.878 48 HB2 ARG 8 2HB ARG 8 9.517 10.847 12.003 49 HB3 ARG 8 1HB ARG 8 8.284 9.600 11.905 50 HG2 ARG 8 2HG ARG 8 9.620 8.189 13.409 51 HG3 ARG 8 1HG ARG 8 10.813 9.484 13.535 52 HD2 ARG 8 2HD ARG 8 9.341 9.548 15.446 53 HD3 ARG 8 1HD ARG 8 9.063 10.965 14.438 54 HE ARG 8 HE ARG 8 7.301 8.724 13.933 55 HH11 ARG 8 1HH1 ARG 8 7.790 11.697 15.710 56 HH12 ARG 8 2HH1 ARG 8 6.108 11.958 16.010 57 HH21 ARG 8 1HH2 ARG 8 5.049 9.054 14.320 58 HH22 ARG 8 2HH2 ARG 8 4.541 10.456 15.205 59 H VAL 9 H VAL 9 8.323 8.088 9.387 60 HA VAL 9 HA VAL 9 8.063 10.415 7.627 61 HB VAL 9 HB VAL 9 7.921 8.919 5.625 62 HG11 VAL 9 1HG1 VAL 9 10.560 8.871 7.079 63 HG12 VAL 9 2HG1 VAL 9 9.958 10.158 6.033 64 HG13 VAL 9 3HG1 VAL 9 10.336 8.575 5.354 65 HG21 VAL 9 1HG2 VAL 9 7.435 6.815 6.752 66 HG22 VAL 9 2HG2 VAL 9 9.035 6.828 7.495 67 HG23 VAL 9 3HG2 VAL 9 8.876 6.661 5.746 68 H ARG 10 H ARG 10 5.999 10.732 6.819 69 HA ARG 10 HA ARG 10 3.951 8.949 7.932 70 HB2 ARG 10 2HB ARG 10 3.708 11.322 8.518 71 HB3 ARG 10 1HB ARG 10 3.698 11.748 6.811 72 HG2 ARG 10 2HG ARG 10 1.636 10.479 6.501 73 HG3 ARG 10 1HG ARG 10 1.644 10.055 8.211 74 HD2 ARG 10 2HD ARG 10 1.426 12.402 8.811 75 HD3 ARG 10 1HD ARG 10 1.478 12.855 7.105 76 HE ARG 10 HE ARG 10 -0.583 10.956 7.671 77 HH11 ARG 10 1HH1 ARG 10 0.192 14.394 7.808 78 HH12 ARG 10 2HH1 ARG 10 -1.463 14.891 7.681 79 HH21 ARG 10 1HH2 ARG 10 -2.767 11.642 7.507 80 HH22 ARG 10 2HH2 ARG 10 -3.144 13.330 7.494 81 H CYS 11 H CYS 11 3.156 7.473 6.586 82 HA CYS 11 HA CYS 11 2.843 8.207 3.773 83 HB2 CYS 11 2HB CYS 11 4.131 5.636 4.697 84 HB3 CYS 11 1HB CYS 11 3.790 6.083 3.031 85 HG CYS 11 HG CYS 11 5.576 8.451 4.414 86 H SER 12 H SER 12 1.212 7.234 2.689 87 HA SER 12 HA SER 12 -0.708 5.702 4.263 88 HB2 SER 12 2HB SER 12 -0.997 6.975 1.526 89 HB3 SER 12 1HB SER 12 -2.294 6.258 2.484 90 HG SER 12 HG SER 12 -0.964 8.125 3.922 91 H HIS 13 H HIS 13 -1.762 3.837 3.094 92 HA HIS 13 HA HIS 13 0.058 2.591 1.183 93 HB2 HIS 13 2HB HIS 13 0.347 0.564 2.439 94 HB3 HIS 13 1HB HIS 13 0.831 1.918 3.450 95 HD1 HIS 13 1HD HIS 13 -0.606 -1.136 3.964 96 HD2 HIS 13 2HD HIS 13 -1.904 2.687 4.933 97 HE1 HIS 13 1HE HIS 13 -2.261 -1.439 5.827 98 HE2 HIS 13 2HE HIS 13 -3.038 0.887 6.403 99 H LEU 14 H LEU 14 -0.805 1.126 -0.146 100 HA LEU 14 HA LEU 14 -3.703 0.657 0.050 101 HB2 LEU 14 2HB LEU 14 -2.677 1.793 -2.011 102 HB3 LEU 14 1HB LEU 14 -1.909 0.262 -2.358 103 HG LEU 14 HG LEU 14 -3.951 0.725 -3.716 104 HD11 LEU 14 1HD1 LEU 14 -4.960 -1.484 -3.482 105 HD12 LEU 14 2HD1 LEU 14 -4.125 -1.700 -1.944 106 HD13 LEU 14 3HD1 LEU 14 -3.197 -1.559 -3.437 107 HD21 LEU 14 1HD2 LEU 14 -6.140 0.541 -2.707 108 HD22 LEU 14 2HD2 LEU 14 -5.243 1.871 -1.974 109 HD23 LEU 14 3HD2 LEU 14 -5.416 0.340 -1.114 110 H LEU 15 H LEU 15 -4.117 -1.245 0.966 111 HA LEU 15 HA LEU 15 -2.156 -3.392 0.669 112 HB2 LEU 15 2HB LEU 15 -2.531 -2.815 2.949 113 HB3 LEU 15 1HB LEU 15 -4.268 -2.868 2.745 114 HG LEU 15 HG LEU 15 -4.218 -5.288 2.539 115 HD11 LEU 15 1HD1 LEU 15 -2.101 -5.538 1.392 116 HD12 LEU 15 2HD1 LEU 15 -2.150 -6.539 2.845 117 HD13 LEU 15 3HD1 LEU 15 -1.241 -5.025 2.843 118 HD21 LEU 15 1HD2 LEU 15 -4.380 -4.411 4.772 119 HD22 LEU 15 2HD2 LEU 15 -2.625 -4.261 4.876 120 HD23 LEU 15 3HD2 LEU 15 -3.370 -5.858 4.785 121 H VAL 16 H VAL 16 -2.655 -4.519 -1.095 122 HA VAL 16 HA VAL 16 -5.358 -5.633 -1.204 123 HB VAL 16 HB VAL 16 -4.866 -4.376 -3.243 124 HG11 VAL 16 1HG1 VAL 16 -2.479 -6.180 -3.569 125 HG12 VAL 16 2HG1 VAL 16 -2.451 -4.447 -3.239 126 HG13 VAL 16 3HG1 VAL 16 -3.076 -5.044 -4.778 127 HG21 VAL 16 1HG2 VAL 16 -6.241 -6.362 -3.477 128 HG22 VAL 16 2HG2 VAL 16 -4.804 -7.355 -3.715 129 HG23 VAL 16 3HG2 VAL 16 -5.244 -6.140 -4.916 130 H LYS 17 H LYS 17 -5.426 -7.548 -0.356 131 HA LYS 17 HA LYS 17 -3.048 -9.131 -0.028 132 HB2 LYS 17 2HB LYS 17 -5.907 -9.723 0.767 133 HB3 LYS 17 1HB LYS 17 -4.491 -10.633 1.265 134 HG2 LYS 17 2HG LYS 17 -3.675 -8.857 2.577 135 HG3 LYS 17 1HG LYS 17 -4.801 -7.708 1.855 136 HD2 LYS 17 2HD LYS 17 -6.673 -8.880 2.904 137 HD3 LYS 17 1HD LYS 17 -5.550 -10.047 3.610 138 HE2 LYS 17 2HE LYS 17 -4.528 -8.360 4.955 139 HE3 LYS 17 1HE LYS 17 -5.402 -7.081 4.114 140 HZ1 LYS 17 1HZ LYS 17 -6.685 -9.183 5.767 141 HZ2 LYS 17 2HZ LYS 17 -7.448 -7.849 5.049 142 HZ3 LYS 17 3HZ LYS 17 -6.337 -7.615 6.296 143 H HIS 18 H HIS 18 -3.600 -11.638 -0.289 144 HA HIS 18 HA HIS 18 -4.989 -12.245 -2.723 145 HB2 HIS 18 2HB HIS 18 -2.829 -13.391 -3.645 146 HB3 HIS 18 1HB HIS 18 -3.080 -11.676 -3.921 147 HD1 HIS 18 1HD HIS 18 -1.565 -13.382 -0.835 148 HD2 HIS 18 2HD HIS 18 -0.571 -10.673 -3.835 149 HE1 HIS 18 1HE HIS 18 0.728 -12.561 -0.273 150 HE2 HIS 18 2HE HIS 18 1.391 -11.113 -2.214 151 H SER 19 H SER 19 -4.712 -14.636 -3.242 152 HA SER 19 HA SER 19 -5.531 -16.091 -1.008 153 HB2 SER 19 2HB SER 19 -4.447 -17.149 -3.616 154 HB3 SER 19 1HB SER 19 -5.444 -18.038 -2.462 155 HG SER 19 HG SER 19 -6.765 -15.867 -2.903 156 H GLN 20 H GLN 20 -2.328 -15.711 -2.400 157 HA GLN 20 HA GLN 20 -1.202 -17.785 -0.759 158 HB2 GLN 20 2HB GLN 20 0.182 -15.667 -2.403 159 HB3 GLN 20 1HB GLN 20 0.964 -17.043 -1.648 160 HG2 GLN 20 2HG GLN 20 -1.092 -17.153 -3.844 161 HG3 GLN 20 1HG GLN 20 0.641 -17.422 -4.015 162 HE21 GLN 20 1HE2 GLN 20 1.546 -19.312 -3.166 163 HE22 GLN 20 2HE2 GLN 20 0.575 -20.697 -2.821 164 H SER 21 H SER 21 -2.194 -16.754 1.172 165 HA SER 21 HA SER 21 -0.161 -15.238 2.577 166 HB2 SER 21 2HB SER 21 -3.026 -14.257 2.333 167 HB3 SER 21 1HB SER 21 -1.824 -13.591 3.438 168 HG SER 21 HG SER 21 -0.534 -13.194 1.501 169 H ARG 22 H ARG 22 -0.763 -15.125 4.974 170 HA ARG 22 HA ARG 22 -1.688 -17.731 5.763 171 HB2 ARG 22 2HB ARG 22 -0.907 -17.277 7.920 172 HB3 ARG 22 1HB ARG 22 0.188 -16.363 6.900 173 HG2 ARG 22 2HG ARG 22 -2.215 -15.085 8.173 174 HG3 ARG 22 1HG ARG 22 -0.687 -15.254 9.032 175 HD2 ARG 22 2HD ARG 22 0.438 -13.974 7.282 176 HD3 ARG 22 1HD ARG 22 -1.087 -13.822 6.408 177 HE ARG 22 HE ARG 22 -1.856 -12.676 8.574 178 HH11 ARG 22 1HH1 ARG 22 1.410 -12.454 7.282 179 HH12 ARG 22 2HH1 ARG 22 1.708 -10.897 7.970 180 HH21 ARG 22 1HH2 ARG 22 -1.448 -10.594 9.471 181 HH22 ARG 22 2HH2 ARG 22 0.083 -9.838 9.208 182 H ARG 23 H ARG 23 -3.197 -14.818 5.142 183 HA ARG 23 HA ARG 23 -5.722 -15.801 6.016 184 HB2 ARG 23 2HB ARG 23 -4.825 -14.913 8.148 185 HB3 ARG 23 1HB ARG 23 -4.629 -13.339 7.398 186 HG2 ARG 23 2HG ARG 23 -6.623 -13.455 8.815 187 HG3 ARG 23 1HG ARG 23 -7.025 -13.130 7.128 188 HD2 ARG 23 2HD ARG 23 -8.545 -14.768 8.159 189 HD3 ARG 23 1HD ARG 23 -7.659 -15.440 6.795 190 HE ARG 23 HE ARG 23 -6.257 -16.016 9.157 191 HH11 ARG 23 1HH1 ARG 23 -9.273 -16.846 7.570 192 HH12 ARG 23 2HH1 ARG 23 -9.352 -18.431 8.252 193 HH21 ARG 23 1HH2 ARG 23 -6.359 -18.144 10.064 194 HH22 ARG 23 2HH2 ARG 23 -7.694 -19.169 9.674 195 HA PRO 24 HA PRO 24 -5.893 -12.973 2.379 196 HB2 PRO 24 2HB PRO 24 -7.710 -14.975 1.277 197 HB3 PRO 24 1HB PRO 24 -6.159 -14.419 0.642 198 HG2 PRO 24 2HG PRO 24 -6.512 -16.908 1.653 199 HG3 PRO 24 1HG PRO 24 -4.969 -16.041 1.757 200 HD2 PRO 24 2HD PRO 24 -7.095 -16.383 3.845 201 HD3 PRO 24 1HD PRO 24 -5.328 -16.496 4.006 202 H SER 25 H SER 25 -8.040 -14.126 4.677 203 HA SER 25 HA SER 25 -10.544 -13.293 3.794 204 HB2 SER 25 2HB SER 25 -9.490 -13.163 6.627 205 HB3 SER 25 1HB SER 25 -11.179 -13.280 6.131 206 HG SER 25 HG SER 25 -10.936 -15.346 5.676 207 H SER 26 H SER 26 -11.644 -11.350 3.933 208 HA SER 26 HA SER 26 -10.008 -8.995 4.568 209 HB2 SER 26 2HB SER 26 -11.874 -9.261 2.206 210 HB3 SER 26 1HB SER 26 -10.811 -7.901 2.574 211 HG SER 26 HG SER 26 -9.343 -10.109 2.530 212 H TRP 27 H TRP 27 -11.469 -6.978 4.656 213 HA TRP 27 HA TRP 27 -13.994 -7.729 5.958 214 HB2 TRP 27 2HB TRP 27 -13.929 -5.536 7.111 215 HB3 TRP 27 1HB TRP 27 -12.527 -6.521 7.492 216 HD1 TRP 27 HD TRP 27 -10.160 -5.571 6.828 217 HE1 TRP 27 1HE TRP 27 -9.356 -3.284 5.976 218 HE3 TRP 27 3HE TRP 27 -14.676 -3.522 5.571 219 HZ2 TRP 27 2HZ TRP 27 -10.472 -0.931 4.916 220 HZ3 TRP 27 3HZ TRP 27 -14.715 -1.243 4.648 221 HH2 TRP 27 HH TRP 27 -12.656 0.026 4.329 222 H ARG 28 H ARG 28 -12.516 -5.809 3.464 223 HA ARG 28 HA ARG 28 -14.963 -4.494 2.696 224 HB2 ARG 28 2HB ARG 28 -13.658 -3.920 0.602 225 HB3 ARG 28 1HB ARG 28 -12.960 -3.349 2.110 226 HG2 ARG 28 2HG ARG 28 -11.274 -4.990 2.070 227 HG3 ARG 28 1HG ARG 28 -12.092 -5.907 0.806 228 HD2 ARG 28 2HD ARG 28 -11.036 -3.115 0.423 229 HD3 ARG 28 1HD ARG 28 -10.108 -4.569 0.052 230 HE ARG 28 HE ARG 28 -12.735 -4.222 -1.199 231 HH11 ARG 28 1HH1 ARG 28 -9.241 -4.200 -1.516 232 HH12 ARG 28 2HH1 ARG 28 -9.266 -4.370 -3.234 233 HH21 ARG 28 1HH2 ARG 28 -12.772 -4.452 -3.481 234 HH22 ARG 28 2HH2 ARG 28 -11.285 -4.509 -4.355 235 H GLN 29 H GLN 29 -13.376 -7.456 2.005 236 HA GLN 29 HA GLN 29 -15.591 -8.245 0.239 237 HB2 GLN 29 2HB GLN 29 -12.724 -9.205 0.015 238 HB3 GLN 29 1HB GLN 29 -14.062 -9.692 -1.006 239 HG2 GLN 29 2HG GLN 29 -14.213 -7.296 -1.762 240 HG3 GLN 29 1HG GLN 29 -12.699 -7.017 -0.905 241 HE21 GLN 29 1HE2 GLN 29 -11.802 -9.784 -1.587 242 HE22 GLN 29 2HE2 GLN 29 -11.307 -9.704 -3.239 243 H GLU 30 H GLU 30 -15.599 -10.793 0.201 244 HA GLU 30 HA GLU 30 -15.800 -11.646 2.922 245 HB2 GLU 30 2HB GLU 30 -16.399 -13.854 1.945 246 HB3 GLU 30 1HB GLU 30 -17.356 -12.536 1.288 247 HG2 GLU 30 2HG GLU 30 -15.917 -12.509 -0.700 248 HG3 GLU 30 1HG GLU 30 -15.013 -13.871 -0.046 249 H LYS 31 H LYS 31 -13.632 -12.317 0.238 250 HA LYS 31 HA LYS 31 -11.336 -12.614 1.820 251 HB2 LYS 31 2HB LYS 31 -12.339 -14.776 2.439 252 HB3 LYS 31 1HB LYS 31 -12.532 -15.179 0.739 253 HG2 LYS 31 2HG LYS 31 -10.144 -15.274 0.443 254 HG3 LYS 31 1HG LYS 31 -9.886 -14.724 2.097 255 HD2 LYS 31 2HD LYS 31 -9.542 -17.110 2.001 256 HD3 LYS 31 1HD LYS 31 -11.015 -16.783 2.910 257 HE2 LYS 31 2HE LYS 31 -11.147 -17.368 -0.029 258 HE3 LYS 31 1HE LYS 31 -10.983 -18.684 1.127 259 HZ1 LYS 31 1HZ LYS 31 -13.200 -16.699 1.016 260 HZ2 LYS 31 2HZ LYS 31 -13.011 -17.861 2.224 261 HZ3 LYS 31 3HZ LYS 31 -13.282 -18.343 0.633 262 H ILE 32 H ILE 32 -9.668 -12.150 0.503 263 HA ILE 32 HA ILE 32 -10.223 -11.784 -2.273 264 HB ILE 32 HB ILE 32 -7.633 -11.438 -0.740 265 HG12 ILE 32 2HG1 ILE 32 -9.738 -9.488 -1.708 266 HG13 ILE 32 1HG1 ILE 32 -9.361 -9.882 -0.038 267 HG21 ILE 32 1HG2 ILE 32 -7.244 -11.901 -3.122 268 HG22 ILE 32 2HG2 ILE 32 -6.823 -10.242 -2.696 269 HG23 ILE 32 3HG2 ILE 32 -8.335 -10.579 -3.542 270 HD11 ILE 32 1HD1 ILE 32 -7.184 -8.829 -0.271 271 HD12 ILE 32 2HD1 ILE 32 -8.471 -7.709 -0.703 272 HD13 ILE 32 3HD1 ILE 32 -7.518 -8.486 -1.966 273 H THR 33 H THR 33 -10.440 -13.507 -3.476 274 HA THR 33 HA THR 33 -8.679 -15.809 -3.091 275 HB THR 33 HB THR 33 -10.368 -16.909 -4.661 276 HG1 THR 33 1HG THR 33 -12.299 -15.099 -3.920 277 HG21 THR 33 1HG2 THR 33 -11.319 -15.855 -1.991 278 HG22 THR 33 2HG2 THR 33 -10.344 -17.303 -2.242 279 HG23 THR 33 3HG2 THR 33 -11.998 -17.238 -2.850 280 H ARG 34 H ARG 34 -7.995 -13.263 -4.578 281 HA ARG 34 HA ARG 34 -7.572 -14.398 -7.239 282 HB2 ARG 34 2HB ARG 34 -6.965 -12.146 -7.960 283 HB3 ARG 34 1HB ARG 34 -8.545 -12.163 -7.201 284 HG2 ARG 34 2HG ARG 34 -7.483 -11.339 -5.119 285 HG3 ARG 34 1HG ARG 34 -5.970 -11.179 -6.010 286 HD2 ARG 34 2HD ARG 34 -7.248 -9.060 -5.848 287 HD3 ARG 34 1HD ARG 34 -6.960 -9.579 -7.508 288 HE ARG 34 HE ARG 34 -9.294 -10.461 -7.452 289 HH11 ARG 34 1HH1 ARG 34 -8.377 -7.838 -5.293 290 HH12 ARG 34 2HH1 ARG 34 -9.978 -7.195 -5.202 291 HH21 ARG 34 1HH2 ARG 34 -11.412 -9.609 -7.313 292 HH22 ARG 34 2HH2 ARG 34 -11.710 -8.207 -6.346 293 H THR 35 H THR 35 -5.505 -14.352 -8.207 294 HA THR 35 HA THR 35 -3.432 -15.003 -6.303 295 HB THR 35 HB THR 35 -3.860 -16.466 -8.256 296 HG1 THR 35 1HG THR 35 -1.449 -16.117 -9.055 297 HG21 THR 35 1HG2 THR 35 -3.113 -15.758 -10.494 298 HG22 THR 35 2HG2 THR 35 -2.800 -14.140 -9.867 299 HG23 THR 35 3HG2 THR 35 -4.447 -14.767 -9.907 300 H LYS 36 H LYS 36 -1.119 -14.375 -7.274 301 HA LYS 36 HA LYS 36 -0.657 -11.708 -6.623 302 HB2 LYS 36 2HB LYS 36 1.030 -13.511 -6.493 303 HB3 LYS 36 1HB LYS 36 1.083 -13.589 -8.242 304 HG2 LYS 36 2HG LYS 36 1.746 -11.033 -6.833 305 HG3 LYS 36 1HG LYS 36 2.937 -12.329 -6.940 306 HD2 LYS 36 2HD LYS 36 2.697 -12.312 -9.396 307 HD3 LYS 36 1HD LYS 36 1.555 -10.974 -9.258 308 HE2 LYS 36 2HE LYS 36 3.745 -10.127 -9.823 309 HE3 LYS 36 1HE LYS 36 3.309 -9.621 -8.192 310 HZ1 LYS 36 1HZ LYS 36 5.622 -10.415 -8.408 311 HZ2 LYS 36 2HZ LYS 36 5.045 -11.946 -8.813 312 HZ3 LYS 36 3HZ LYS 36 4.730 -11.304 -7.279 313 H GLU 37 H GLU 37 -0.842 -13.252 -9.816 314 HA GLU 37 HA GLU 37 -0.186 -11.082 -11.415 315 HB2 GLU 37 2HB GLU 37 -0.442 -13.356 -12.267 316 HB3 GLU 37 1HB GLU 37 -2.172 -13.288 -11.971 317 HG2 GLU 37 2HG GLU 37 -2.346 -11.458 -13.607 318 HG3 GLU 37 1HG GLU 37 -0.623 -11.626 -13.938 319 H GLU 38 H GLU 38 -3.352 -12.044 -10.183 320 HA GLU 38 HA GLU 38 -4.915 -10.086 -11.427 321 HB2 GLU 38 2HB GLU 38 -5.269 -11.535 -8.815 322 HB3 GLU 38 1HB GLU 38 -6.509 -10.531 -9.553 323 HG2 GLU 38 2HG GLU 38 -5.280 -12.836 -11.011 324 HG3 GLU 38 1HG GLU 38 -6.633 -13.049 -9.900 325 H ALA 39 H ALA 39 -3.422 -10.130 -8.206 326 HA ALA 39 HA ALA 39 -4.318 -7.607 -7.380 327 HB1 ALA 39 1HB ALA 39 -2.567 -7.731 -5.683 328 HB2 ALA 39 2HB ALA 39 -1.810 -9.066 -6.553 329 HB3 ALA 39 3HB ALA 39 -3.408 -9.274 -5.837 330 H LEU 40 H LEU 40 -1.408 -8.604 -9.112 331 HA LEU 40 HA LEU 40 -0.109 -6.112 -9.123 332 HB2 LEU 40 2HB LEU 40 0.824 -8.418 -9.726 333 HB3 LEU 40 1HB LEU 40 0.088 -8.202 -11.296 334 HG LEU 40 HG LEU 40 2.577 -7.725 -11.120 335 HD11 LEU 40 1HD1 LEU 40 0.794 -5.541 -12.169 336 HD12 LEU 40 2HD1 LEU 40 1.312 -6.987 -13.036 337 HD13 LEU 40 3HD1 LEU 40 2.494 -5.762 -12.578 338 HD21 LEU 40 1HD2 LEU 40 2.485 -6.518 -8.980 339 HD22 LEU 40 2HD2 LEU 40 1.615 -5.204 -9.773 340 HD23 LEU 40 3HD2 LEU 40 3.270 -5.580 -10.248 341 H GLU 41 H GLU 41 -2.438 -7.572 -11.356 342 HA GLU 41 HA GLU 41 -2.459 -5.576 -13.327 343 HB2 GLU 41 2HB GLU 41 -4.617 -7.453 -12.370 344 HB3 GLU 41 1HB GLU 41 -4.830 -6.379 -13.744 345 HG2 GLU 41 2HG GLU 41 -2.714 -8.499 -13.518 346 HG3 GLU 41 1HG GLU 41 -4.237 -8.670 -14.385 347 H LEU 42 H LEU 42 -4.265 -5.907 -10.326 348 HA LEU 42 HA LEU 42 -5.919 -3.652 -10.642 349 HB2 LEU 42 2HB LEU 42 -4.910 -4.860 -8.071 350 HB3 LEU 42 1HB LEU 42 -6.304 -3.815 -8.247 351 HG LEU 42 HG LEU 42 -6.022 -6.621 -9.312 352 HD11 LEU 42 1HD1 LEU 42 -7.788 -5.468 -7.169 353 HD12 LEU 42 2HD1 LEU 42 -6.379 -6.499 -6.913 354 HD13 LEU 42 3HD1 LEU 42 -7.801 -7.136 -7.739 355 HD21 LEU 42 1HD2 LEU 42 -7.307 -5.341 -10.885 356 HD22 LEU 42 2HD2 LEU 42 -8.269 -4.638 -9.589 357 HD23 LEU 42 3HD2 LEU 42 -8.407 -6.357 -9.951 358 H ILE 43 H ILE 43 -2.776 -4.090 -9.075 359 HA ILE 43 HA ILE 43 -2.411 -1.545 -8.021 360 HB ILE 43 HB ILE 43 -0.308 -3.354 -9.238 361 HG12 ILE 43 2HG1 ILE 43 -1.543 -4.456 -7.443 362 HG13 ILE 43 1HG1 ILE 43 0.096 -4.087 -6.923 363 HG21 ILE 43 1HG2 ILE 43 0.008 -1.026 -7.348 364 HG22 ILE 43 2HG2 ILE 43 0.545 -1.100 -9.025 365 HG23 ILE 43 3HG2 ILE 43 1.291 -2.139 -7.814 366 HD11 ILE 43 1HD1 ILE 43 -2.398 -2.571 -6.191 367 HD12 ILE 43 2HD1 ILE 43 -0.760 -2.127 -5.714 368 HD13 ILE 43 3HD1 ILE 43 -1.463 -3.639 -5.146 369 H ASN 44 H ASN 44 -1.559 -2.773 -11.236 370 HA ASN 44 HA ASN 44 -0.482 -0.416 -12.285 371 HB2 ASN 44 2HB ASN 44 -1.994 -2.622 -13.704 372 HB3 ASN 44 1HB ASN 44 -1.084 -1.358 -14.519 373 HD21 ASN 44 1HD2 ASN 44 -0.727 -4.216 -14.612 374 HD22 ASN 44 2HD2 ASN 44 0.884 -4.528 -14.074 375 H GLY 45 H GLY 45 -3.793 -1.644 -12.295 376 HA2 GLY 45 2HA GLY 45 -4.984 0.355 -13.821 377 HA3 GLY 45 1HA GLY 45 -5.807 -0.602 -12.600 378 H TYR 46 H TYR 46 -4.343 0.261 -10.354 379 HA TYR 46 HA TYR 46 -5.714 2.692 -9.803 380 HB2 TYR 46 2HB TYR 46 -3.539 1.343 -8.185 381 HB3 TYR 46 1HB TYR 46 -4.625 2.600 -7.606 382 HD1 TYR 46 1HD TYR 46 -7.205 1.626 -8.765 383 HD2 TYR 46 2HD TYR 46 -4.064 -0.478 -6.809 384 HE1 TYR 46 1HE TYR 46 -8.803 -0.104 -8.070 385 HE2 TYR 46 2HE TYR 46 -5.658 -2.214 -6.110 386 HH TYR 46 HH TYR 46 -8.781 -2.459 -7.421 387 H ILE 47 H ILE 47 -2.274 1.885 -10.201 388 HA ILE 47 HA ILE 47 -1.223 4.430 -9.773 389 HB ILE 47 HB ILE 47 -0.166 2.223 -11.554 390 HG12 ILE 47 2HG1 ILE 47 0.547 3.045 -8.727 391 HG13 ILE 47 1HG1 ILE 47 -0.392 1.626 -9.177 392 HG21 ILE 47 1HG2 ILE 47 1.251 4.696 -10.551 393 HG22 ILE 47 2HG2 ILE 47 0.809 4.355 -12.224 394 HG23 ILE 47 3HG2 ILE 47 2.011 3.355 -11.409 395 HD11 ILE 47 1HD1 ILE 47 2.489 2.129 -9.892 396 HD12 ILE 47 2HD1 ILE 47 1.550 0.701 -10.324 397 HD13 ILE 47 3HD1 ILE 47 1.904 1.043 -8.631 398 H GLN 48 H GLN 48 -2.305 2.945 -12.825 399 HA GLN 48 HA GLN 48 -1.589 5.009 -14.562 400 HB2 GLN 48 2HB GLN 48 -3.984 3.173 -14.730 401 HB3 GLN 48 1HB GLN 48 -3.386 4.166 -16.049 402 HG2 GLN 48 2HG GLN 48 -1.312 2.922 -16.087 403 HG3 GLN 48 1HG GLN 48 -1.830 1.975 -14.694 404 HE21 GLN 48 1HE2 GLN 48 -3.932 2.913 -17.337 405 HE22 GLN 48 2HE2 GLN 48 -4.159 1.320 -17.967 406 H LYS 49 H LYS 49 -4.538 4.571 -12.666 407 HA LYS 49 HA LYS 49 -5.851 6.880 -13.678 408 HB2 LYS 49 2HB LYS 49 -6.331 5.218 -11.208 409 HB3 LYS 49 1HB LYS 49 -7.360 6.559 -11.685 410 HG2 LYS 49 2HG LYS 49 -7.896 5.416 -13.772 411 HG3 LYS 49 1HG LYS 49 -6.846 4.076 -13.308 412 HD2 LYS 49 2HD LYS 49 -8.254 3.610 -11.380 413 HD3 LYS 49 1HD LYS 49 -9.274 4.995 -11.770 414 HE2 LYS 49 2HE LYS 49 -9.910 3.946 -13.875 415 HE3 LYS 49 1HE LYS 49 -8.868 2.570 -13.514 416 HZ1 LYS 49 1HZ LYS 49 -11.289 3.404 -12.002 417 HZ2 LYS 49 2HZ LYS 49 -10.248 2.159 -11.529 418 HZ3 LYS 49 3HZ LYS 49 -11.118 2.022 -12.962 419 H ILE 50 H ILE 50 -3.943 6.246 -10.763 420 HA ILE 50 HA ILE 50 -4.327 8.708 -9.483 421 HB ILE 50 HB ILE 50 -1.924 6.866 -9.411 422 HG12 ILE 50 2HG1 ILE 50 -4.207 7.195 -7.454 423 HG13 ILE 50 1HG1 ILE 50 -4.083 5.901 -8.642 424 HG21 ILE 50 1HG2 ILE 50 -2.623 9.130 -7.541 425 HG22 ILE 50 2HG2 ILE 50 -1.292 9.119 -8.697 426 HG23 ILE 50 3HG2 ILE 50 -1.288 7.996 -7.336 427 HD11 ILE 50 1HD1 ILE 50 -3.401 5.167 -6.424 428 HD12 ILE 50 2HD1 ILE 50 -2.150 6.412 -6.394 429 HD13 ILE 50 3HD1 ILE 50 -2.058 5.096 -7.564 430 H LYS 51 H LYS 51 -1.686 7.686 -11.642 431 HA LYS 51 HA LYS 51 -0.414 10.226 -11.621 432 HB2 LYS 51 2HB LYS 51 -0.124 8.004 -13.645 433 HB3 LYS 51 1HB LYS 51 0.988 9.344 -13.414 434 HG2 LYS 51 2HG LYS 51 0.422 7.103 -11.478 435 HG3 LYS 51 1HG LYS 51 1.897 7.357 -12.409 436 HD2 LYS 51 2HD LYS 51 0.829 9.211 -10.276 437 HD3 LYS 51 1HD LYS 51 2.139 8.052 -10.060 438 HE2 LYS 51 2HE LYS 51 3.468 9.225 -11.735 439 HE3 LYS 51 1HE LYS 51 2.147 10.360 -12.003 440 HZ1 LYS 51 1HZ LYS 51 3.666 10.011 -9.478 441 HZ2 LYS 51 2HZ LYS 51 2.356 11.050 -9.680 442 HZ3 LYS 51 3HZ LYS 51 3.783 11.319 -10.541 443 H SER 52 H SER 52 -3.117 9.035 -13.325 444 HA SER 52 HA SER 52 -2.854 10.945 -15.500 445 HB2 SER 52 2HB SER 52 -3.789 8.582 -15.761 446 HB3 SER 52 1HB SER 52 -5.221 9.161 -14.917 447 HG SER 52 HG SER 52 -5.376 10.791 -16.605 448 H GLY 53 H GLY 53 -3.941 10.999 -12.338 449 HA2 GLY 53 2HA GLY 53 -5.027 12.672 -11.166 450 HA3 GLY 53 1HA GLY 53 -5.226 13.548 -12.680 451 H GLU 54 H GLU 54 -6.243 10.267 -12.360 452 HA GLU 54 HA GLU 54 -9.004 11.052 -12.863 453 HB2 GLU 54 2HB GLU 54 -7.961 9.326 -14.275 454 HB3 GLU 54 1HB GLU 54 -7.662 8.338 -12.855 455 HG2 GLU 54 2HG GLU 54 -9.546 7.420 -13.916 456 HG3 GLU 54 1HG GLU 54 -10.153 8.288 -12.508 457 H GLU 55 H GLU 55 -7.248 8.830 -10.712 458 HA GLU 55 HA GLU 55 -9.448 9.086 -8.782 459 HB2 GLU 55 2HB GLU 55 -7.522 6.808 -9.226 460 HB3 GLU 55 1HB GLU 55 -8.645 6.901 -7.879 461 HG2 GLU 55 2HG GLU 55 -9.404 6.828 -10.785 462 HG3 GLU 55 1HG GLU 55 -9.452 5.459 -9.674 463 H ASP 56 H ASP 56 -8.948 9.279 -6.611 464 HA ASP 56 HA ASP 56 -6.316 10.432 -6.078 465 HB2 ASP 56 2HB ASP 56 -8.906 10.472 -4.506 466 HB3 ASP 56 1HB ASP 56 -7.396 11.150 -3.911 467 H PHE 57 H PHE 57 -4.865 9.469 -4.745 468 HA PHE 57 HA PHE 57 -5.032 6.726 -4.247 469 HB2 PHE 57 2HB PHE 57 -2.893 8.000 -4.335 470 HB3 PHE 57 1HB PHE 57 -3.288 8.721 -2.778 471 HD1 PHE 57 1HD PHE 57 -2.356 5.612 -4.497 472 HD2 PHE 57 2HD PHE 57 -3.027 7.482 -0.736 473 HE1 PHE 57 1HE PHE 57 -1.314 3.698 -3.364 474 HE2 PHE 57 2HE PHE 57 -1.983 5.566 0.402 475 HZ PHE 57 HZ PHE 57 -1.125 3.673 -0.912 476 H GLU 58 H GLU 58 -5.835 9.485 -2.261 477 HA GLU 58 HA GLU 58 -6.233 8.314 0.214 478 HB2 GLU 58 2HB GLU 58 -7.838 10.483 -1.135 479 HB3 GLU 58 1HB GLU 58 -7.910 10.101 0.577 480 HG2 GLU 58 2HG GLU 58 -5.793 10.925 0.985 481 HG3 GLU 58 1HG GLU 58 -5.313 10.812 -0.708 482 H SER 59 H SER 59 -8.655 8.790 -2.354 483 HA SER 59 HA SER 59 -10.728 7.424 -1.070 484 HB2 SER 59 2HB SER 59 -10.327 7.807 -4.040 485 HB3 SER 59 1HB SER 59 -11.857 7.515 -3.207 486 HG SER 59 HG SER 59 -11.525 9.742 -3.657 487 H LEU 60 H LEU 60 -8.262 6.324 -3.348 488 HA LEU 60 HA LEU 60 -9.309 3.730 -3.711 489 HB2 LEU 60 2HB LEU 60 -6.448 4.670 -3.902 490 HB3 LEU 60 1HB LEU 60 -7.054 3.145 -4.512 491 HG LEU 60 HG LEU 60 -7.844 5.882 -5.513 492 HD11 LEU 60 1HD1 LEU 60 -6.158 3.726 -6.763 493 HD12 LEU 60 2HD1 LEU 60 -5.581 5.270 -6.137 494 HD13 LEU 60 3HD1 LEU 60 -6.651 5.231 -7.538 495 HD21 LEU 60 1HD2 LEU 60 -9.695 4.321 -5.700 496 HD22 LEU 60 2HD2 LEU 60 -8.642 3.133 -6.467 497 HD23 LEU 60 3HD2 LEU 60 -9.010 4.648 -7.291 498 H ALA 61 H ALA 61 -6.937 5.039 -1.434 499 HA ALA 61 HA ALA 61 -6.379 2.537 -0.200 500 HB1 ALA 61 1HB ALA 61 -5.162 3.822 1.452 501 HB2 ALA 61 2HB ALA 61 -5.913 5.312 0.881 502 HB3 ALA 61 3HB ALA 61 -4.805 4.427 -0.167 503 H SER 62 H SER 62 -8.868 4.893 0.215 504 HA SER 62 HA SER 62 -9.603 3.887 2.841 505 HB2 SER 62 2HB SER 62 -11.020 5.927 1.109 506 HB3 SER 62 1HB SER 62 -11.316 5.615 2.819 507 HG SER 62 HG SER 62 -8.837 6.504 1.741 508 H GLN 63 H GLN 63 -9.915 2.589 -0.075 509 HA GLN 63 HA GLN 63 -12.562 1.453 0.519 510 HB2 GLN 63 2HB GLN 63 -11.616 2.474 -2.149 511 HB3 GLN 63 1HB GLN 63 -13.016 1.432 -1.956 512 HG2 GLN 63 2HG GLN 63 -14.150 3.095 -0.659 513 HG3 GLN 63 1HG GLN 63 -12.714 4.116 -0.633 514 HE21 GLN 63 1HE2 GLN 63 -12.059 3.593 -3.409 515 HE22 GLN 63 2HE2 GLN 63 -13.191 4.484 -4.357 516 H PHE 64 H PHE 64 -9.630 1.061 -1.480 517 HA PHE 64 HA PHE 64 -10.266 -1.761 -1.798 518 HB2 PHE 64 2HB PHE 64 -8.089 -0.082 -3.041 519 HB3 PHE 64 1HB PHE 64 -8.375 -1.783 -3.396 520 HD1 PHE 64 1HD PHE 64 -9.270 1.595 -4.156 521 HD2 PHE 64 2HD PHE 64 -10.612 -2.435 -4.389 522 HE1 PHE 64 1HE PHE 64 -10.895 2.240 -5.888 523 HE2 PHE 64 2HE PHE 64 -12.237 -1.798 -6.122 524 HZ PHE 64 HZ PHE 64 -12.380 0.542 -6.872 525 H SER 65 H SER 65 -8.206 0.202 0.110 526 HA SER 65 HA SER 65 -6.234 -1.814 0.616 527 HB2 SER 65 2HB SER 65 -5.936 0.725 0.849 528 HB3 SER 65 1HB SER 65 -6.837 0.586 2.353 529 HG SER 65 HG SER 65 -4.474 0.496 2.479 530 H ASP 66 H ASP 66 -6.831 -3.653 1.633 531 HA ASP 66 HA ASP 66 -9.057 -3.606 3.484 532 HB2 ASP 66 2HB ASP 66 -8.671 -5.496 1.848 533 HB3 ASP 66 1HB ASP 66 -7.308 -5.987 2.849 534 H CYS 67 H CYS 67 -7.898 -2.109 4.863 535 HA CYS 67 HA CYS 67 -6.652 -3.558 7.062 536 HB2 CYS 67 2HB CYS 67 -4.793 -2.688 5.629 537 HB3 CYS 67 1HB CYS 67 -5.422 -1.065 5.856 538 HG CYS 67 HG CYS 67 -4.474 -2.957 8.531 539 H SER 68 H SER 68 -6.697 -2.244 9.074 540 HA SER 68 HA SER 68 -9.162 -0.921 9.389 541 HB2 SER 68 2HB SER 68 -8.155 -0.304 11.663 542 HB3 SER 68 1HB SER 68 -8.291 -2.021 11.285 543 HG SER 68 HG SER 68 -6.058 -0.486 11.699 544 H SER 69 H SER 69 -5.938 0.223 8.735 545 HA SER 69 HA SER 69 -6.323 2.935 9.373 546 HB2 SER 69 2HB SER 69 -4.364 3.172 7.630 547 HB3 SER 69 1HB SER 69 -4.084 2.414 9.196 548 HG SER 69 HG SER 69 -3.965 0.483 8.281 549 H ALA 70 H ALA 70 -7.377 1.068 6.690 550 HA ALA 70 HA ALA 70 -7.548 2.987 4.670 551 HB1 ALA 70 1HB ALA 70 -9.290 1.597 3.707 552 HB2 ALA 70 2HB ALA 70 -9.480 0.753 5.243 553 HB3 ALA 70 3HB ALA 70 -7.978 0.596 4.333 554 H LYS 71 H LYS 71 -9.636 2.353 7.417 555 HA LYS 71 HA LYS 71 -11.724 4.103 6.592 556 HB2 LYS 71 2HB LYS 71 -11.074 3.074 9.358 557 HB3 LYS 71 1HB LYS 71 -12.589 3.819 8.865 558 HG2 LYS 71 2HG LYS 71 -12.942 1.966 7.272 559 HG3 LYS 71 1HG LYS 71 -11.472 1.204 7.879 560 HD2 LYS 71 2HD LYS 71 -12.468 1.115 10.125 561 HD3 LYS 71 1HD LYS 71 -13.945 1.841 9.488 562 HE2 LYS 71 2HE LYS 71 -14.176 -0.081 7.947 563 HE3 LYS 71 1HE LYS 71 -12.754 -0.814 8.686 564 HZ1 LYS 71 1HZ LYS 71 -15.319 -0.197 10.040 565 HZ2 LYS 71 2HZ LYS 71 -13.948 -0.812 10.813 566 HZ3 LYS 71 3HZ LYS 71 -14.739 -1.733 9.638 567 H ALA 72 H ALA 72 -8.654 4.590 7.822 568 HA ALA 72 HA ALA 72 -9.276 7.306 8.754 569 HB1 ALA 72 1HB ALA 72 -7.103 7.224 9.888 570 HB2 ALA 72 2HB ALA 72 -6.824 5.605 9.246 571 HB3 ALA 72 3HB ALA 72 -8.131 5.883 10.398 572 H ARG 73 H ARG 73 -9.139 6.424 5.985 573 HA ARG 73 HA ARG 73 -8.559 7.406 4.029 574 HB2 ARG 73 2HB ARG 73 -7.200 9.194 5.890 575 HB3 ARG 73 1HB ARG 73 -6.362 9.041 4.353 576 HG2 ARG 73 2HG ARG 73 -7.901 10.906 4.325 577 HG3 ARG 73 1HG ARG 73 -8.395 9.667 3.174 578 HD2 ARG 73 2HD ARG 73 -9.974 8.809 4.932 579 HD3 ARG 73 1HD ARG 73 -9.587 10.246 5.877 580 HE ARG 73 HE ARG 73 -10.307 11.290 3.510 581 HH11 ARG 73 1HH1 ARG 73 -11.865 9.011 5.677 582 HH12 ARG 73 2HH1 ARG 73 -13.462 9.374 5.120 583 HH21 ARG 73 1HH2 ARG 73 -12.442 11.774 2.774 584 HH22 ARG 73 2HH2 ARG 73 -13.789 10.939 3.472 585 H GLY 74 H GLY 74 -6.775 5.366 5.787 586 HA2 GLY 74 2HA GLY 74 -5.423 3.671 4.929 587 HA3 GLY 74 1HA GLY 74 -5.265 4.586 3.437 588 H ASP 75 H ASP 75 -4.680 6.722 5.826 589 HA ASP 75 HA ASP 75 -1.832 6.569 5.381 590 HB2 ASP 75 2HB ASP 75 -3.083 8.739 5.310 591 HB3 ASP 75 1HB ASP 75 -3.346 8.581 7.044 592 H LEU 76 H LEU 76 -0.295 6.096 6.874 593 HA LEU 76 HA LEU 76 -1.274 4.710 9.257 594 HB2 LEU 76 2HB LEU 76 1.424 4.722 7.916 595 HB3 LEU 76 1HB LEU 76 1.049 3.824 9.372 596 HG LEU 76 HG LEU 76 -0.264 3.387 6.691 597 HD11 LEU 76 1HD1 LEU 76 1.845 1.775 8.119 598 HD12 LEU 76 2HD1 LEU 76 2.090 2.743 6.666 599 HD13 LEU 76 3HD1 LEU 76 1.040 1.327 6.615 600 HD21 LEU 76 1HD2 LEU 76 -1.715 2.813 8.555 601 HD22 LEU 76 2HD2 LEU 76 -0.427 1.851 9.280 602 HD23 LEU 76 3HD2 LEU 76 -1.143 1.355 7.746 603 H GLY 77 H GLY 77 -0.093 7.720 8.469 604 HA2 GLY 77 2HA GLY 77 0.466 9.450 9.915 605 HA3 GLY 77 1HA GLY 77 0.553 8.284 11.234 606 H ALA 78 H ALA 78 2.558 9.509 11.742 607 HA ALA 78 HA ALA 78 4.772 8.939 9.936 608 HB1 ALA 78 1HB ALA 78 4.613 11.184 10.885 609 HB2 ALA 78 2HB ALA 78 6.087 10.370 11.414 610 HB3 ALA 78 3HB ALA 78 4.713 10.508 12.511 611 H PHE 79 H PHE 79 5.919 7.170 10.159 612 HA PHE 79 HA PHE 79 6.021 5.911 12.811 613 HB2 PHE 79 2HB PHE 79 6.208 3.712 11.590 614 HB3 PHE 79 1HB PHE 79 4.644 4.505 11.482 615 HD1 PHE 79 1HD PHE 79 3.857 5.419 9.378 616 HD2 PHE 79 2HD PHE 79 7.634 3.472 9.649 617 HE1 PHE 79 1HE PHE 79 3.934 5.237 6.928 618 HE2 PHE 79 2HE PHE 79 7.716 3.290 7.195 619 HZ PHE 79 HZ PHE 79 5.865 4.174 5.834 620 H SER 80 H SER 80 7.889 4.344 13.019 621 HA SER 80 HA SER 80 10.292 5.607 11.883 622 HB2 SER 80 2HB SER 80 10.013 4.211 14.551 623 HB3 SER 80 1HB SER 80 11.446 5.039 13.944 624 HG SER 80 HG SER 80 8.970 6.363 14.211 625 H ARG 81 H ARG 81 12.240 4.042 12.101 626 HA ARG 81 HA ARG 81 11.746 1.784 10.461 627 HB2 ARG 81 2HB ARG 81 13.853 2.998 10.339 628 HB3 ARG 81 1HB ARG 81 14.209 2.598 12.012 629 HG2 ARG 81 2HG ARG 81 14.231 0.188 11.349 630 HG3 ARG 81 1HG ARG 81 14.094 0.713 9.671 631 HD2 ARG 81 2HD ARG 81 16.309 1.457 11.579 632 HD3 ARG 81 1HD ARG 81 16.417 0.249 10.301 633 HE ARG 81 HE ARG 81 15.647 2.563 9.044 634 HH11 ARG 81 1HH1 ARG 81 18.352 1.603 11.048 635 HH12 ARG 81 2HH1 ARG 81 19.468 2.677 10.284 636 HH21 ARG 81 1HH2 ARG 81 17.111 3.974 8.027 637 HH22 ARG 81 2HH2 ARG 81 18.761 4.038 8.552 638 H GLY 82 H GLY 82 11.573 -0.327 10.919 639 HA2 GLY 82 2HA GLY 82 11.925 -2.294 12.183 640 HA3 GLY 82 1HA GLY 82 12.230 -1.302 13.598 641 H GLN 83 H GLN 83 9.438 -1.003 11.453 642 HA GLN 83 HA GLN 83 7.787 -2.131 13.608 643 HB2 GLN 83 2HB GLN 83 7.263 0.459 12.165 644 HB3 GLN 83 1HB GLN 83 6.119 -0.336 13.236 645 HG2 GLN 83 2HG GLN 83 7.747 -0.128 15.075 646 HG3 GLN 83 1HG GLN 83 8.820 0.755 13.988 647 HE21 GLN 83 1HE2 GLN 83 6.605 2.096 12.663 648 HE22 GLN 83 2HE2 GLN 83 6.039 3.300 13.772 649 H MET 84 H MET 84 8.028 -1.316 10.179 650 HA MET 84 HA MET 84 5.735 -3.099 9.685 651 HB2 MET 84 2HB MET 84 6.921 -0.884 8.011 652 HB3 MET 84 1HB MET 84 5.778 -2.049 7.361 653 HG2 MET 84 2HG MET 84 4.564 -0.091 7.924 654 HG3 MET 84 1HG MET 84 4.154 -1.321 9.114 655 HE1 MET 84 1HE MET 84 3.104 0.506 10.698 656 HE2 MET 84 2HE MET 84 3.489 1.769 9.528 657 HE3 MET 84 3HE MET 84 3.948 1.965 11.219 658 H GLN 85 H GLN 85 6.007 -4.101 7.302 659 HA GLN 85 HA GLN 85 8.129 -5.956 7.486 660 HB2 GLN 85 2HB GLN 85 6.378 -5.253 5.120 661 HB3 GLN 85 1HB GLN 85 7.455 -6.639 5.190 662 HG2 GLN 85 2HG GLN 85 5.095 -6.150 6.993 663 HG3 GLN 85 1HG GLN 85 5.144 -7.266 5.632 664 HE21 GLN 85 1HE2 GLN 85 6.190 -6.667 8.887 665 HE22 GLN 85 2HE2 GLN 85 6.758 -8.261 9.222 666 H LYS 86 H LYS 86 10.064 -6.099 6.395 667 HA LYS 86 HA LYS 86 11.495 -3.768 6.141 668 HB2 LYS 86 2HB LYS 86 12.509 -5.979 6.491 669 HB3 LYS 86 1HB LYS 86 12.176 -6.391 4.816 670 HG2 LYS 86 2HG LYS 86 14.502 -5.735 5.137 671 HG3 LYS 86 1HG LYS 86 13.659 -4.613 4.065 672 HD2 LYS 86 2HD LYS 86 13.393 -3.028 5.883 673 HD3 LYS 86 1HD LYS 86 14.130 -4.162 7.014 674 HE2 LYS 86 2HE LYS 86 15.474 -2.906 4.626 675 HE3 LYS 86 1HE LYS 86 15.710 -2.439 6.307 676 HZ1 LYS 86 1HZ LYS 86 16.426 -5.046 5.085 677 HZ2 LYS 86 2HZ LYS 86 16.532 -4.706 6.733 678 HZ3 LYS 86 3HZ LYS 86 17.491 -3.855 5.634 679 HA PRO 87 HA PRO 87 11.299 -4.026 1.228 680 HB2 PRO 87 2HB PRO 87 8.870 -5.090 0.365 681 HB3 PRO 87 1HB PRO 87 10.423 -5.929 0.319 682 HG2 PRO 87 2HG PRO 87 8.231 -6.107 2.346 683 HG3 PRO 87 1HG PRO 87 9.252 -7.397 1.681 684 HD2 PRO 87 2HD PRO 87 9.708 -6.409 4.114 685 HD3 PRO 87 1HD PRO 87 11.057 -6.831 3.036 686 H PHE 88 H PHE 88 8.380 -3.762 3.175 687 HA PHE 88 HA PHE 88 7.245 -1.634 1.620 688 HB2 PHE 88 2HB PHE 88 5.756 -3.129 2.806 689 HB3 PHE 88 1HB PHE 88 6.536 -2.759 4.337 690 HD1 PHE 88 1HD PHE 88 5.982 -0.781 5.562 691 HD2 PHE 88 2HD PHE 88 4.300 -1.479 1.718 692 HE1 PHE 88 1HE PHE 88 4.359 1.022 5.953 693 HE2 PHE 88 2HE PHE 88 2.673 0.326 2.103 694 HZ PHE 88 HZ PHE 88 2.703 1.579 4.223 695 H GLU 89 H GLU 89 8.724 -1.855 4.832 696 HA GLU 89 HA GLU 89 8.461 0.874 5.460 697 HB2 GLU 89 2HB GLU 89 8.872 -1.115 7.002 698 HB3 GLU 89 1HB GLU 89 10.567 -0.948 6.571 699 HG2 GLU 89 2HG GLU 89 10.433 1.419 7.366 700 HG3 GLU 89 1HG GLU 89 8.827 1.039 7.989 701 H ASP 90 H ASP 90 11.184 -0.977 4.113 702 HA ASP 90 HA ASP 90 13.056 1.128 4.132 703 HB2 ASP 90 2HB ASP 90 13.804 -1.151 3.830 704 HB3 ASP 90 1HB ASP 90 12.870 -1.306 2.347 705 H ALA 91 H ALA 91 10.579 0.221 1.834 706 HA ALA 91 HA ALA 91 11.435 2.013 -0.216 707 HB1 ALA 91 1HB ALA 91 9.323 1.480 -1.297 708 HB2 ALA 91 2HB ALA 91 8.743 0.715 0.183 709 HB3 ALA 91 3HB ALA 91 10.097 0.012 -0.699 710 H ALA 92 H ALA 92 9.172 2.186 2.469 711 HA ALA 92 HA ALA 92 7.897 4.594 1.751 712 HB1 ALA 92 1HB ALA 92 7.190 4.711 4.083 713 HB2 ALA 92 2HB ALA 92 8.369 3.471 4.513 714 HB3 ALA 92 3HB ALA 92 7.014 3.071 3.457 715 H PHE 93 H PHE 93 10.787 3.922 3.656 716 HA PHE 93 HA PHE 93 11.276 6.678 4.283 717 HB2 PHE 93 2HB PHE 93 12.880 4.152 4.614 718 HB3 PHE 93 1HB PHE 93 13.587 5.726 4.949 719 HD1 PHE 93 1HD PHE 93 10.594 3.673 5.822 720 HD2 PHE 93 2HD PHE 93 13.434 6.576 7.081 721 HE1 PHE 93 1HE PHE 93 9.650 3.610 8.091 722 HE2 PHE 93 2HE PHE 93 12.491 6.521 9.349 723 HZ PHE 93 HZ PHE 93 10.597 5.035 9.856 724 H ALA 94 H ALA 94 11.512 5.029 1.450 725 HA ALA 94 HA ALA 94 13.883 6.464 0.502 726 HB1 ALA 94 1HB ALA 94 13.749 5.033 -1.466 727 HB2 ALA 94 2HB ALA 94 12.240 4.338 -0.873 728 HB3 ALA 94 3HB ALA 94 13.743 4.063 0.007 729 H LEU 95 H LEU 95 10.618 6.907 0.729 730 HA LEU 95 HA LEU 95 10.402 8.396 -1.786 731 HB2 LEU 95 2HB LEU 95 8.306 7.695 0.265 732 HB3 LEU 95 1HB LEU 95 8.010 8.561 -1.226 733 HG LEU 95 HG LEU 95 8.939 5.700 -1.010 734 HD11 LEU 95 1HD1 LEU 95 6.275 6.883 -1.769 735 HD12 LEU 95 2HD1 LEU 95 6.642 6.006 -0.284 736 HD13 LEU 95 3HD1 LEU 95 6.697 5.173 -1.836 737 HD21 LEU 95 1HD2 LEU 95 9.797 6.774 -3.023 738 HD22 LEU 95 2HD2 LEU 95 8.183 7.362 -3.417 739 HD23 LEU 95 3HD2 LEU 95 8.519 5.631 -3.433 740 H ARG 96 H ARG 96 9.835 10.571 -1.803 741 HA ARG 96 HA ARG 96 10.311 11.997 0.716 742 HB2 ARG 96 2HB ARG 96 10.351 13.006 -2.133 743 HB3 ARG 96 1HB ARG 96 10.729 13.959 -0.705 744 HG2 ARG 96 2HG ARG 96 12.706 12.750 -0.297 745 HG3 ARG 96 1HG ARG 96 12.252 11.482 -1.438 746 HD2 ARG 96 2HD ARG 96 12.364 13.172 -3.256 747 HD3 ARG 96 1HD ARG 96 12.983 14.330 -2.080 748 HE ARG 96 HE ARG 96 14.989 13.179 -2.004 749 HH11 ARG 96 1HH1 ARG 96 12.663 11.447 -4.005 750 HH12 ARG 96 2HH1 ARG 96 13.876 10.503 -4.804 751 HH21 ARG 96 1HH2 ARG 96 16.592 11.894 -3.065 752 HH22 ARG 96 2HH2 ARG 96 16.105 10.751 -4.269 753 H THR 97 H THR 97 9.032 14.218 0.657 754 HA THR 97 HA THR 97 6.330 13.597 1.000 755 HB THR 97 HB THR 97 7.474 16.356 0.520 756 HG1 THR 97 1HG THR 97 7.302 14.841 2.951 757 HG21 THR 97 1HG2 THR 97 5.080 15.394 2.103 758 HG22 THR 97 2HG2 THR 97 5.026 16.259 0.568 759 HG23 THR 97 3HG2 THR 97 5.643 17.064 2.012 760 H GLY 98 H GLY 98 5.079 12.915 -0.652 761 HA2 GLY 98 2HA GLY 98 3.600 13.661 -2.394 762 HA3 GLY 98 1HA GLY 98 4.888 14.697 -2.985 763 H GLU 99 H GLU 99 6.212 11.736 -2.174 764 HA GLU 99 HA GLU 99 6.069 10.907 -4.982 765 HB2 GLU 99 2HB GLU 99 8.092 10.234 -2.849 766 HB3 GLU 99 1HB GLU 99 8.070 9.494 -4.443 767 HG2 GLU 99 2HG GLU 99 8.206 11.882 -5.347 768 HG3 GLU 99 1HG GLU 99 8.656 12.333 -3.703 769 H MET 100 H MET 100 5.761 8.738 -5.551 770 HA MET 100 HA MET 100 4.435 7.095 -3.495 771 HB2 MET 100 2HB MET 100 2.813 8.202 -5.046 772 HB3 MET 100 1HB MET 100 3.592 7.379 -6.384 773 HG2 MET 100 2HG MET 100 2.981 5.215 -5.389 774 HG3 MET 100 1HG MET 100 2.152 6.067 -4.088 775 HE1 MET 100 1HE MET 100 2.169 5.094 -7.862 776 HE2 MET 100 2HE MET 100 2.310 6.848 -7.975 777 HE3 MET 100 3HE MET 100 0.836 6.046 -8.512 778 H SER 101 H SER 101 4.970 4.969 -3.490 779 HA SER 101 HA SER 101 7.064 4.115 -5.344 780 HB2 SER 101 2HB SER 101 7.456 3.755 -2.929 781 HB3 SER 101 1HB SER 101 5.998 2.768 -2.839 782 HG SER 101 HG SER 101 6.978 1.189 -3.972 783 H GLY 102 H GLY 102 6.911 2.086 -6.440 784 HA2 GLY 102 2HA GLY 102 4.281 1.613 -7.493 785 HA3 GLY 102 1HA GLY 102 5.766 0.808 -7.975 786 HA PRO 103 HA PRO 103 3.167 -2.322 -5.804 787 HB2 PRO 103 2HB PRO 103 4.164 -4.423 -7.256 788 HB3 PRO 103 1HB PRO 103 2.767 -3.463 -7.746 789 HG2 PRO 103 2HG PRO 103 5.610 -3.271 -8.644 790 HG3 PRO 103 1HG PRO 103 4.120 -3.132 -9.597 791 HD2 PRO 103 2HD PRO 103 5.548 -0.978 -8.839 792 HD3 PRO 103 1HD PRO 103 3.779 -0.937 -8.972 793 H VAL 104 H VAL 104 4.045 -2.535 -3.841 794 HA VAL 104 HA VAL 104 6.722 -3.664 -3.549 795 HB VAL 104 HB VAL 104 4.765 -2.654 -1.463 796 HG11 VAL 104 1HG1 VAL 104 7.639 -3.513 -1.148 797 HG12 VAL 104 2HG1 VAL 104 6.228 -4.391 -0.563 798 HG13 VAL 104 3HG1 VAL 104 6.626 -2.813 0.114 799 HG21 VAL 104 1HG2 VAL 104 5.643 -0.864 -2.866 800 HG22 VAL 104 2HG2 VAL 104 7.290 -1.410 -2.554 801 HG23 VAL 104 3HG2 VAL 104 6.312 -0.763 -1.238 802 H PHE 105 H PHE 105 6.899 -5.784 -3.488 803 HA PHE 105 HA PHE 105 4.532 -7.411 -3.166 804 HB2 PHE 105 2HB PHE 105 7.367 -8.247 -3.784 805 HB3 PHE 105 1HB PHE 105 5.928 -9.253 -3.924 806 HD1 PHE 105 1HD PHE 105 8.088 -6.971 -5.591 807 HD2 PHE 105 2HD PHE 105 4.106 -8.466 -5.547 808 HE1 PHE 105 1HE PHE 105 7.772 -6.181 -7.897 809 HE2 PHE 105 2HE PHE 105 3.785 -7.680 -7.855 810 HZ PHE 105 HZ PHE 105 5.617 -6.536 -9.032 811 H THR 106 H THR 106 3.988 -8.566 -1.466 812 HA THR 106 HA THR 106 5.920 -9.318 0.557 813 HB THR 106 HB THR 106 3.493 -7.636 1.279 814 HG1 THR 106 1HG THR 106 5.976 -6.916 0.474 815 HG21 THR 106 1HG2 THR 106 5.813 -8.559 2.985 816 HG22 THR 106 2HG2 THR 106 4.201 -9.273 3.004 817 HG23 THR 106 3HG2 THR 106 4.432 -7.603 3.523 818 H ASP 107 H ASP 107 5.091 -11.004 1.935 819 HA ASP 107 HA ASP 107 3.383 -12.825 0.652 820 HB2 ASP 107 2HB ASP 107 4.356 -12.715 3.505 821 HB3 ASP 107 1HB ASP 107 3.424 -14.061 2.857 822 H SER 108 H SER 108 2.670 -10.252 2.836 823 HA SER 108 HA SER 108 0.046 -11.219 3.535 824 HB2 SER 108 2HB SER 108 1.137 -8.420 3.857 825 HB3 SER 108 1HB SER 108 -0.184 -9.171 4.755 826 HG SER 108 HG SER 108 1.809 -10.770 5.120 827 H GLY 109 H GLY 109 1.427 -9.635 0.875 828 HA2 GLY 109 2HA GLY 109 -0.393 -9.557 -0.950 829 HA3 GLY 109 1HA GLY 109 -1.090 -8.343 0.117 830 H ILE 110 H ILE 110 -0.592 -7.458 -2.300 831 HA ILE 110 HA ILE 110 2.085 -6.330 -2.411 832 HB ILE 110 HB ILE 110 -0.247 -5.888 -4.307 833 HG12 ILE 110 2HG1 ILE 110 2.092 -7.803 -4.508 834 HG13 ILE 110 1HG1 ILE 110 0.414 -8.254 -4.229 835 HG21 ILE 110 1HG2 ILE 110 2.703 -5.299 -4.589 836 HG22 ILE 110 2HG2 ILE 110 1.402 -4.115 -4.455 837 HG23 ILE 110 3HG2 ILE 110 1.514 -5.147 -5.881 838 HD11 ILE 110 1HD1 ILE 110 1.508 -6.949 -6.712 839 HD12 ILE 110 2HD1 ILE 110 -0.178 -7.388 -6.438 840 HD13 ILE 110 3HD1 ILE 110 1.058 -8.645 -6.535 841 H HIS 111 H HIS 111 2.527 -4.125 -2.213 842 HA HIS 111 HA HIS 111 0.322 -2.539 -1.062 843 HB2 HIS 111 2HB HIS 111 3.174 -2.266 -0.152 844 HB3 HIS 111 1HB HIS 111 1.718 -1.671 0.624 845 HD1 HIS 111 1HD HIS 111 0.054 -4.079 1.061 846 HD2 HIS 111 2HD HIS 111 4.184 -4.194 1.386 847 HE1 HIS 111 1HE HIS 111 0.561 -6.047 2.539 848 HE2 HIS 111 2HE HIS 111 3.031 -5.903 2.933 849 H ILE 112 H ILE 112 0.191 -0.447 -1.628 850 HA ILE 112 HA ILE 112 2.300 0.671 -3.358 851 HB ILE 112 HB ILE 112 -0.565 1.653 -3.096 852 HG12 ILE 112 2HG1 ILE 112 0.664 0.009 -5.323 853 HG13 ILE 112 1HG1 ILE 112 -0.501 -0.583 -4.145 854 HG21 ILE 112 1HG2 ILE 112 1.613 2.349 -5.066 855 HG22 ILE 112 2HG2 ILE 112 1.022 3.376 -3.761 856 HG23 ILE 112 3HG2 ILE 112 -0.039 2.963 -5.108 857 HD11 ILE 112 1HD1 ILE 112 -0.990 1.558 -6.205 858 HD12 ILE 112 2HD1 ILE 112 -2.158 1.008 -5.005 859 HD13 ILE 112 3HD1 ILE 112 -1.588 -0.100 -6.253 860 H ILE 113 H ILE 113 3.322 2.506 -2.610 861 HA ILE 113 HA ILE 113 2.448 3.420 0.056 862 HB ILE 113 HB ILE 113 5.275 3.526 -0.993 863 HG12 ILE 113 2HG1 ILE 113 4.063 1.486 0.882 864 HG13 ILE 113 1HG1 ILE 113 4.463 1.183 -0.805 865 HG21 ILE 113 1HG2 ILE 113 4.128 3.822 1.785 866 HG22 ILE 113 2HG2 ILE 113 4.760 5.123 0.776 867 HG23 ILE 113 3HG2 ILE 113 5.842 3.864 1.371 868 HD11 ILE 113 1HD1 ILE 113 6.412 1.926 1.360 869 HD12 ILE 113 2HD1 ILE 113 6.809 1.593 -0.326 870 HD13 ILE 113 3HD1 ILE 113 6.159 0.311 0.698 871 H LEU 114 H LEU 114 1.977 5.484 0.305 872 HA LEU 114 HA LEU 114 3.021 7.440 -1.629 873 HB2 LEU 114 2HB LEU 114 0.627 6.911 -2.080 874 HB3 LEU 114 1HB LEU 114 0.229 7.369 -0.442 875 HG LEU 114 HG LEU 114 -0.314 9.031 -2.306 876 HD11 LEU 114 1HD1 LEU 114 1.346 9.988 0.017 877 HD12 LEU 114 2HD1 LEU 114 -0.388 9.669 0.032 878 HD13 LEU 114 3HD1 LEU 114 0.259 10.981 -0.953 879 HD21 LEU 114 1HD2 LEU 114 1.742 8.880 -3.555 880 HD22 LEU 114 2HD2 LEU 114 2.665 9.454 -2.166 881 HD23 LEU 114 3HD2 LEU 114 1.521 10.527 -2.969 882 H ARG 115 H ARG 115 4.322 8.804 -0.544 883 HA ARG 115 HA ARG 115 4.067 8.983 2.323 884 HB2 ARG 115 2HB ARG 115 6.306 8.844 1.422 885 HB3 ARG 115 1HB ARG 115 6.043 10.285 0.449 886 HG2 ARG 115 2HG ARG 115 5.915 11.663 2.407 887 HG3 ARG 115 1HG ARG 115 5.959 10.248 3.458 888 HD2 ARG 115 2HD ARG 115 8.213 9.792 2.892 889 HD3 ARG 115 1HD ARG 115 8.180 10.942 1.554 890 HE ARG 115 HE ARG 115 7.594 12.390 3.837 891 HH11 ARG 115 1HH1 ARG 115 10.317 10.499 2.653 892 HH12 ARG 115 2HH1 ARG 115 11.483 11.447 3.518 893 HH21 ARG 115 1HH2 ARG 115 9.131 13.623 4.928 894 HH22 ARG 115 2HH2 ARG 115 10.811 13.229 4.802 895 H THR 116 H THR 116 2.543 10.184 3.123 896 HA THR 116 HA THR 116 1.388 12.429 1.859 897 HB THR 116 HB THR 116 1.259 11.734 4.804 898 HG1 THR 116 1HG THR 116 -0.099 10.140 4.307 899 HG21 THR 116 1HG2 THR 116 -0.686 13.151 2.968 900 HG22 THR 116 2HG2 THR 116 0.315 13.919 4.199 901 HG23 THR 116 3HG2 THR 116 -0.956 12.792 4.674 902 H GLU 117 H GLU 117 3.646 12.090 4.596 903 HA GLU 117 HA GLU 117 4.576 14.811 4.082 904 HB2 GLU 117 2HB GLU 117 3.810 13.739 6.800 905 HB3 GLU 117 1HB GLU 117 4.734 15.208 6.545 906 HG2 GLU 117 2HG GLU 117 2.842 16.142 5.276 907 HG3 GLU 117 1HG GLU 117 1.917 14.686 5.639 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 22.084 15.749 -2.420 2 H2 GLY 1 2HT GLY 1 22.061 17.067 -1.364 3 H3 GLY 1 3HT GLY 1 21.359 17.202 -2.897 4 HA2 GLY 1 1HA GLY 1 19.666 16.947 -1.199 5 HA3 GLY 1 2HA GLY 1 19.679 15.588 -2.311 6 H SER 2 H SER 2 18.629 15.595 0.352 7 HA SER 2 HA SER 2 20.507 14.328 2.082 8 HB2 SER 2 2HB SER 2 17.497 14.464 2.306 9 HB3 SER 2 1HB SER 2 18.628 14.061 3.598 10 HG SER 2 HG SER 2 17.889 16.302 3.549 11 H HIS 3 H HIS 3 21.296 12.441 1.409 12 HA HIS 3 HA HIS 3 19.547 10.385 0.298 13 HB2 HIS 3 2HB HIS 3 22.539 10.529 0.703 14 HB3 HIS 3 1HB HIS 3 21.727 9.068 0.163 15 HD1 HIS 3 1HD HIS 3 21.534 8.818 -2.292 16 HD2 HIS 3 2HD HIS 3 22.074 12.782 -1.181 17 HE1 HIS 3 1HE HIS 3 21.800 10.086 -4.439 18 HE2 HIS 3 2HE HIS 3 21.934 12.501 -3.743 19 H MET 4 H MET 4 20.934 11.326 3.261 20 HA MET 4 HA MET 4 21.209 8.843 4.547 21 HB2 MET 4 2HB MET 4 20.600 11.548 5.749 22 HB3 MET 4 1HB MET 4 21.135 10.136 6.650 23 HG2 MET 4 2HG MET 4 23.239 10.141 5.426 24 HG3 MET 4 1HG MET 4 22.702 11.537 4.497 25 HE1 MET 4 1HE MET 4 24.799 12.998 5.097 26 HE2 MET 4 2HE MET 4 25.462 11.581 5.913 27 HE3 MET 4 3HE MET 4 25.448 13.144 6.731 28 H GLU 5 H GLU 5 19.863 7.663 5.837 29 HA GLU 5 HA GLU 5 17.117 7.668 5.158 30 HB2 GLU 5 2HB GLU 5 18.574 6.202 7.365 31 HB3 GLU 5 1HB GLU 5 16.905 5.910 6.915 32 HG2 GLU 5 2HG GLU 5 18.225 4.201 5.943 33 HG3 GLU 5 1HG GLU 5 17.714 5.270 4.641 34 HA PRO 6 HA PRO 6 15.749 10.580 8.240 35 HB2 PRO 6 2HB PRO 6 13.088 10.279 7.824 36 HB3 PRO 6 1HB PRO 6 14.127 11.195 6.727 37 HG2 PRO 6 2HG PRO 6 13.061 8.422 6.459 38 HG3 PRO 6 1HG PRO 6 13.256 9.673 5.221 39 HD2 PRO 6 2HD PRO 6 14.991 7.584 5.558 40 HD3 PRO 6 1HD PRO 6 15.454 9.150 4.863 41 H ALA 7 H ALA 7 14.110 10.528 10.085 42 HA ALA 7 HA ALA 7 14.433 7.979 11.460 43 HB1 ALA 7 1HB ALA 7 13.496 10.646 12.511 44 HB2 ALA 7 2HB ALA 7 15.136 10.006 12.620 45 HB3 ALA 7 3HB ALA 7 13.820 9.208 13.479 46 H ARG 8 H ARG 8 11.849 10.288 10.680 47 HA ARG 8 HA ARG 8 9.937 8.072 10.878 48 HB2 ARG 8 2HB ARG 8 9.517 10.847 12.003 49 HB3 ARG 8 1HB ARG 8 8.284 9.600 11.905 50 HG2 ARG 8 2HG ARG 8 9.620 8.189 13.409 51 HG3 ARG 8 1HG ARG 8 10.813 9.484 13.535 52 HD2 ARG 8 2HD ARG 8 9.341 9.548 15.446 53 HD3 ARG 8 1HD ARG 8 9.063 10.965 14.438 54 HE ARG 8 HE ARG 8 7.301 8.724 13.933 55 HH11 ARG 8 1HH1 ARG 8 7.790 11.697 15.710 56 HH12 ARG 8 2HH1 ARG 8 6.108 11.958 16.010 57 HH21 ARG 8 1HH2 ARG 8 5.049 9.054 14.320 58 HH22 ARG 8 2HH2 ARG 8 4.541 10.456 15.205 59 H VAL 9 H VAL 9 8.323 8.088 9.387 60 HA VAL 9 HA VAL 9 8.063 10.415 7.627 61 HB VAL 9 HB VAL 9 7.921 8.919 5.625 62 HG11 VAL 9 1HG1 VAL 9 10.560 8.871 7.079 63 HG12 VAL 9 2HG1 VAL 9 9.958 10.158 6.033 64 HG13 VAL 9 3HG1 VAL 9 10.336 8.575 5.354 65 HG21 VAL 9 1HG2 VAL 9 7.435 6.815 6.752 66 HG22 VAL 9 2HG2 VAL 9 9.035 6.828 7.495 67 HG23 VAL 9 3HG2 VAL 9 8.876 6.661 5.746 68 H ARG 10 H ARG 10 5.999 10.732 6.819 69 HA ARG 10 HA ARG 10 3.951 8.949 7.932 70 HB2 ARG 10 2HB ARG 10 3.708 11.322 8.518 71 HB3 ARG 10 1HB ARG 10 3.698 11.748 6.811 72 HG2 ARG 10 2HG ARG 10 1.636 10.479 6.501 73 HG3 ARG 10 1HG ARG 10 1.644 10.055 8.211 74 HD2 ARG 10 2HD ARG 10 1.426 12.402 8.811 75 HD3 ARG 10 1HD ARG 10 1.478 12.855 7.105 76 HE ARG 10 HE ARG 10 -0.583 10.956 7.671 77 HH11 ARG 10 1HH1 ARG 10 0.192 14.394 7.808 78 HH12 ARG 10 2HH1 ARG 10 -1.463 14.891 7.681 79 HH21 ARG 10 1HH2 ARG 10 -2.767 11.642 7.507 80 HH22 ARG 10 2HH2 ARG 10 -3.144 13.330 7.494 81 H CYS 11 H CYS 11 3.156 7.473 6.586 82 HA CYS 11 HA CYS 11 2.843 8.207 3.773 83 HB2 CYS 11 2HB CYS 11 4.131 5.636 4.697 84 HB3 CYS 11 1HB CYS 11 3.790 6.083 3.031 85 HG CYS 11 HG CYS 11 5.576 8.451 4.414 86 H SER 12 H SER 12 1.212 7.234 2.689 87 HA SER 12 HA SER 12 -0.708 5.702 4.263 88 HB2 SER 12 2HB SER 12 -0.997 6.975 1.526 89 HB3 SER 12 1HB SER 12 -2.294 6.258 2.484 90 HG SER 12 HG SER 12 -0.964 8.125 3.922 91 H HIS 13 H HIS 13 -1.762 3.837 3.094 92 HA HIS 13 HA HIS 13 0.058 2.591 1.183 93 HB2 HIS 13 2HB HIS 13 0.347 0.564 2.439 94 HB3 HIS 13 1HB HIS 13 0.831 1.918 3.450 95 HD1 HIS 13 1HD HIS 13 -0.606 -1.136 3.964 96 HD2 HIS 13 2HD HIS 13 -1.904 2.687 4.933 97 HE1 HIS 13 1HE HIS 13 -2.261 -1.439 5.827 98 HE2 HIS 13 2HE HIS 13 -3.038 0.887 6.403 99 H LEU 14 H LEU 14 -0.805 1.126 -0.146 100 HA LEU 14 HA LEU 14 -3.703 0.657 0.050 101 HB2 LEU 14 2HB LEU 14 -2.677 1.793 -2.011 102 HB3 LEU 14 1HB LEU 14 -1.909 0.262 -2.358 103 HG LEU 14 HG LEU 14 -3.951 0.725 -3.716 104 HD11 LEU 14 1HD1 LEU 14 -4.960 -1.484 -3.482 105 HD12 LEU 14 2HD1 LEU 14 -4.125 -1.700 -1.944 106 HD13 LEU 14 3HD1 LEU 14 -3.197 -1.559 -3.437 107 HD21 LEU 14 1HD2 LEU 14 -6.140 0.541 -2.707 108 HD22 LEU 14 2HD2 LEU 14 -5.243 1.871 -1.974 109 HD23 LEU 14 3HD2 LEU 14 -5.416 0.340 -1.114 110 H LEU 15 H LEU 15 -4.117 -1.245 0.966 111 HA LEU 15 HA LEU 15 -2.156 -3.392 0.669 112 HB2 LEU 15 2HB LEU 15 -2.531 -2.815 2.949 113 HB3 LEU 15 1HB LEU 15 -4.268 -2.868 2.745 114 HG LEU 15 HG LEU 15 -4.218 -5.288 2.539 115 HD11 LEU 15 1HD1 LEU 15 -2.101 -5.538 1.392 116 HD12 LEU 15 2HD1 LEU 15 -2.150 -6.539 2.845 117 HD13 LEU 15 3HD1 LEU 15 -1.241 -5.025 2.843 118 HD21 LEU 15 1HD2 LEU 15 -4.380 -4.411 4.772 119 HD22 LEU 15 2HD2 LEU 15 -2.625 -4.261 4.876 120 HD23 LEU 15 3HD2 LEU 15 -3.370 -5.858 4.785 121 H VAL 16 H VAL 16 -2.655 -4.519 -1.095 122 HA VAL 16 HA VAL 16 -5.358 -5.633 -1.204 123 HB VAL 16 HB VAL 16 -4.866 -4.376 -3.243 124 HG11 VAL 16 1HG1 VAL 16 -2.479 -6.180 -3.569 125 HG12 VAL 16 2HG1 VAL 16 -2.451 -4.447 -3.239 126 HG13 VAL 16 3HG1 VAL 16 -3.076 -5.044 -4.778 127 HG21 VAL 16 1HG2 VAL 16 -6.241 -6.362 -3.477 128 HG22 VAL 16 2HG2 VAL 16 -4.804 -7.355 -3.715 129 HG23 VAL 16 3HG2 VAL 16 -5.244 -6.140 -4.916 130 H LYS 17 H LYS 17 -5.426 -7.548 -0.356 131 HA LYS 17 HA LYS 17 -3.048 -9.131 -0.028 132 HB2 LYS 17 2HB LYS 17 -5.907 -9.723 0.767 133 HB3 LYS 17 1HB LYS 17 -4.491 -10.633 1.265 134 HG2 LYS 17 2HG LYS 17 -3.675 -8.857 2.577 135 HG3 LYS 17 1HG LYS 17 -4.801 -7.708 1.855 136 HD2 LYS 17 2HD LYS 17 -6.673 -8.880 2.904 137 HD3 LYS 17 1HD LYS 17 -5.550 -10.047 3.610 138 HE2 LYS 17 2HE LYS 17 -4.528 -8.360 4.955 139 HE3 LYS 17 1HE LYS 17 -5.402 -7.081 4.114 140 HZ1 LYS 17 1HZ LYS 17 -6.685 -9.183 5.767 141 HZ2 LYS 17 2HZ LYS 17 -7.448 -7.849 5.049 142 HZ3 LYS 17 3HZ LYS 17 -6.337 -7.615 6.296 143 H HIS 18 H HIS 18 -3.600 -11.638 -0.289 144 HA HIS 18 HA HIS 18 -4.989 -12.245 -2.723 145 HB2 HIS 18 2HB HIS 18 -2.829 -13.391 -3.645 146 HB3 HIS 18 1HB HIS 18 -3.080 -11.676 -3.921 147 HD1 HIS 18 1HD HIS 18 -1.565 -13.382 -0.835 148 HD2 HIS 18 2HD HIS 18 -0.571 -10.673 -3.835 149 HE1 HIS 18 1HE HIS 18 0.728 -12.561 -0.273 150 HE2 HIS 18 2HE HIS 18 1.391 -11.113 -2.214 151 H SER 19 H SER 19 -4.712 -14.636 -3.242 152 HA SER 19 HA SER 19 -5.531 -16.091 -1.008 153 HB2 SER 19 2HB SER 19 -4.447 -17.149 -3.616 154 HB3 SER 19 1HB SER 19 -5.444 -18.038 -2.462 155 HG SER 19 HG SER 19 -6.765 -15.867 -2.903 156 H GLN 20 H GLN 20 -2.328 -15.711 -2.400 157 HA GLN 20 HA GLN 20 -1.202 -17.785 -0.759 158 HB2 GLN 20 2HB GLN 20 0.182 -15.667 -2.403 159 HB3 GLN 20 1HB GLN 20 0.964 -17.043 -1.648 160 HG2 GLN 20 2HG GLN 20 -1.092 -17.153 -3.844 161 HG3 GLN 20 1HG GLN 20 0.641 -17.422 -4.015 162 HE21 GLN 20 1HE2 GLN 20 1.546 -19.312 -3.166 163 HE22 GLN 20 2HE2 GLN 20 0.575 -20.697 -2.821 164 H SER 21 H SER 21 -2.194 -16.754 1.172 165 HA SER 21 HA SER 21 -0.161 -15.238 2.577 166 HB2 SER 21 2HB SER 21 -3.026 -14.257 2.333 167 HB3 SER 21 1HB SER 21 -1.824 -13.591 3.438 168 HG SER 21 HG SER 21 -0.534 -13.194 1.501 169 H ARG 22 H ARG 22 -0.763 -15.125 4.974 170 HA ARG 22 HA ARG 22 -1.688 -17.731 5.763 171 HB2 ARG 22 2HB ARG 22 -0.907 -17.277 7.920 172 HB3 ARG 22 1HB ARG 22 0.188 -16.363 6.900 173 HG2 ARG 22 2HG ARG 22 -2.215 -15.085 8.173 174 HG3 ARG 22 1HG ARG 22 -0.687 -15.254 9.032 175 HD2 ARG 22 2HD ARG 22 0.438 -13.974 7.282 176 HD3 ARG 22 1HD ARG 22 -1.087 -13.822 6.408 177 HE ARG 22 HE ARG 22 -1.856 -12.676 8.574 178 HH11 ARG 22 1HH1 ARG 22 1.410 -12.454 7.282 179 HH12 ARG 22 2HH1 ARG 22 1.708 -10.897 7.970 180 HH21 ARG 22 1HH2 ARG 22 -1.448 -10.594 9.471 181 HH22 ARG 22 2HH2 ARG 22 0.083 -9.838 9.208 182 H ARG 23 H ARG 23 -3.197 -14.818 5.142 183 HA ARG 23 HA ARG 23 -5.722 -15.801 6.016 184 HB2 ARG 23 2HB ARG 23 -4.825 -14.913 8.148 185 HB3 ARG 23 1HB ARG 23 -4.629 -13.339 7.398 186 HG2 ARG 23 2HG ARG 23 -6.623 -13.455 8.815 187 HG3 ARG 23 1HG ARG 23 -7.025 -13.130 7.128 188 HD2 ARG 23 2HD ARG 23 -8.545 -14.768 8.159 189 HD3 ARG 23 1HD ARG 23 -7.659 -15.440 6.795 190 HE ARG 23 HE ARG 23 -6.257 -16.016 9.157 191 HH11 ARG 23 1HH1 ARG 23 -9.273 -16.846 7.570 192 HH12 ARG 23 2HH1 ARG 23 -9.352 -18.431 8.252 193 HH21 ARG 23 1HH2 ARG 23 -6.359 -18.144 10.064 194 HH22 ARG 23 2HH2 ARG 23 -7.694 -19.169 9.674 195 HA PRO 24 HA PRO 24 -5.893 -12.973 2.379 196 HB2 PRO 24 2HB PRO 24 -7.710 -14.975 1.277 197 HB3 PRO 24 1HB PRO 24 -6.159 -14.419 0.642 198 HG2 PRO 24 2HG PRO 24 -6.512 -16.908 1.653 199 HG3 PRO 24 1HG PRO 24 -4.969 -16.041 1.757 200 HD2 PRO 24 2HD PRO 24 -7.095 -16.383 3.845 201 HD3 PRO 24 1HD PRO 24 -5.328 -16.496 4.006 202 H SER 25 H SER 25 -8.040 -14.126 4.677 203 HA SER 25 HA SER 25 -10.544 -13.293 3.794 204 HB2 SER 25 2HB SER 25 -9.490 -13.163 6.627 205 HB3 SER 25 1HB SER 25 -11.179 -13.280 6.131 206 HG SER 25 HG SER 25 -10.936 -15.346 5.676 207 H SER 26 H SER 26 -11.644 -11.350 3.933 208 HA SER 26 HA SER 26 -10.008 -8.995 4.568 209 HB2 SER 26 2HB SER 26 -11.874 -9.261 2.206 210 HB3 SER 26 1HB SER 26 -10.811 -7.901 2.574 211 HG SER 26 HG SER 26 -9.343 -10.109 2.530 212 H TRP 27 H TRP 27 -11.469 -6.978 4.656 213 HA TRP 27 HA TRP 27 -13.994 -7.729 5.958 214 HB2 TRP 27 2HB TRP 27 -13.929 -5.536 7.111 215 HB3 TRP 27 1HB TRP 27 -12.527 -6.521 7.492 216 HD1 TRP 27 HD TRP 27 -10.160 -5.571 6.828 217 HE1 TRP 27 1HE TRP 27 -9.356 -3.284 5.976 218 HE3 TRP 27 3HE TRP 27 -14.676 -3.522 5.571 219 HZ2 TRP 27 2HZ TRP 27 -10.472 -0.931 4.916 220 HZ3 TRP 27 3HZ TRP 27 -14.715 -1.243 4.648 221 HH2 TRP 27 HH TRP 27 -12.656 0.026 4.329 222 H ARG 28 H ARG 28 -12.516 -5.809 3.464 223 HA ARG 28 HA ARG 28 -14.963 -4.494 2.696 224 HB2 ARG 28 2HB ARG 28 -13.658 -3.920 0.602 225 HB3 ARG 28 1HB ARG 28 -12.960 -3.349 2.110 226 HG2 ARG 28 2HG ARG 28 -11.274 -4.990 2.070 227 HG3 ARG 28 1HG ARG 28 -12.092 -5.907 0.806 228 HD2 ARG 28 2HD ARG 28 -11.036 -3.115 0.423 229 HD3 ARG 28 1HD ARG 28 -10.108 -4.569 0.052 230 HE ARG 28 HE ARG 28 -12.735 -4.222 -1.199 231 HH11 ARG 28 1HH1 ARG 28 -9.241 -4.200 -1.516 232 HH12 ARG 28 2HH1 ARG 28 -9.266 -4.370 -3.234 233 HH21 ARG 28 1HH2 ARG 28 -12.772 -4.452 -3.481 234 HH22 ARG 28 2HH2 ARG 28 -11.285 -4.509 -4.355 235 H GLN 29 H GLN 29 -13.376 -7.456 2.005 236 HA GLN 29 HA GLN 29 -15.591 -8.245 0.239 237 HB2 GLN 29 2HB GLN 29 -12.724 -9.205 0.015 238 HB3 GLN 29 1HB GLN 29 -14.062 -9.692 -1.006 239 HG2 GLN 29 2HG GLN 29 -14.213 -7.296 -1.762 240 HG3 GLN 29 1HG GLN 29 -12.699 -7.017 -0.905 241 HE21 GLN 29 1HE2 GLN 29 -11.802 -9.784 -1.587 242 HE22 GLN 29 2HE2 GLN 29 -11.307 -9.704 -3.239 243 H GLU 30 H GLU 30 -15.599 -10.793 0.201 244 HA GLU 30 HA GLU 30 -15.800 -11.646 2.922 245 HB2 GLU 30 2HB GLU 30 -16.399 -13.854 1.945 246 HB3 GLU 30 1HB GLU 30 -17.356 -12.536 1.288 247 HG2 GLU 30 2HG GLU 30 -15.917 -12.509 -0.700 248 HG3 GLU 30 1HG GLU 30 -15.013 -13.871 -0.046 249 H LYS 31 H LYS 31 -13.632 -12.317 0.238 250 HA LYS 31 HA LYS 31 -11.336 -12.614 1.820 251 HB2 LYS 31 2HB LYS 31 -12.339 -14.776 2.439 252 HB3 LYS 31 1HB LYS 31 -12.532 -15.179 0.739 253 HG2 LYS 31 2HG LYS 31 -10.144 -15.274 0.443 254 HG3 LYS 31 1HG LYS 31 -9.886 -14.724 2.097 255 HD2 LYS 31 2HD LYS 31 -9.542 -17.110 2.001 256 HD3 LYS 31 1HD LYS 31 -11.015 -16.783 2.910 257 HE2 LYS 31 2HE LYS 31 -11.147 -17.368 -0.029 258 HE3 LYS 31 1HE LYS 31 -10.983 -18.684 1.127 259 HZ1 LYS 31 1HZ LYS 31 -13.200 -16.699 1.016 260 HZ2 LYS 31 2HZ LYS 31 -13.011 -17.861 2.224 261 HZ3 LYS 31 3HZ LYS 31 -13.282 -18.343 0.633 262 H ILE 32 H ILE 32 -9.668 -12.150 0.503 263 HA ILE 32 HA ILE 32 -10.223 -11.784 -2.273 264 HB ILE 32 HB ILE 32 -7.633 -11.438 -0.740 265 HG12 ILE 32 2HG1 ILE 32 -9.738 -9.488 -1.708 266 HG13 ILE 32 1HG1 ILE 32 -9.361 -9.882 -0.038 267 HG21 ILE 32 1HG2 ILE 32 -7.244 -11.901 -3.122 268 HG22 ILE 32 2HG2 ILE 32 -6.823 -10.242 -2.696 269 HG23 ILE 32 3HG2 ILE 32 -8.335 -10.579 -3.542 270 HD11 ILE 32 1HD1 ILE 32 -7.184 -8.829 -0.271 271 HD12 ILE 32 2HD1 ILE 32 -8.471 -7.709 -0.703 272 HD13 ILE 32 3HD1 ILE 32 -7.518 -8.486 -1.966 273 H THR 33 H THR 33 -10.440 -13.507 -3.476 274 HA THR 33 HA THR 33 -8.679 -15.809 -3.091 275 HB THR 33 HB THR 33 -10.368 -16.909 -4.661 276 HG1 THR 33 1HG THR 33 -12.299 -15.099 -3.920 277 HG21 THR 33 1HG2 THR 33 -11.319 -15.855 -1.991 278 HG22 THR 33 2HG2 THR 33 -10.344 -17.303 -2.242 279 HG23 THR 33 3HG2 THR 33 -11.998 -17.238 -2.850 280 H ARG 34 H ARG 34 -7.995 -13.263 -4.578 281 HA ARG 34 HA ARG 34 -7.572 -14.398 -7.239 282 HB2 ARG 34 2HB ARG 34 -6.965 -12.146 -7.960 283 HB3 ARG 34 1HB ARG 34 -8.545 -12.163 -7.201 284 HG2 ARG 34 2HG ARG 34 -7.483 -11.339 -5.119 285 HG3 ARG 34 1HG ARG 34 -5.970 -11.179 -6.010 286 HD2 ARG 34 2HD ARG 34 -7.248 -9.060 -5.848 287 HD3 ARG 34 1HD ARG 34 -6.960 -9.579 -7.508 288 HE ARG 34 HE ARG 34 -9.294 -10.461 -7.452 289 HH11 ARG 34 1HH1 ARG 34 -8.377 -7.838 -5.293 290 HH12 ARG 34 2HH1 ARG 34 -9.978 -7.195 -5.202 291 HH21 ARG 34 1HH2 ARG 34 -11.412 -9.609 -7.313 292 HH22 ARG 34 2HH2 ARG 34 -11.710 -8.207 -6.346 293 H THR 35 H THR 35 -5.505 -14.352 -8.207 294 HA THR 35 HA THR 35 -3.432 -15.003 -6.303 295 HB THR 35 HB THR 35 -3.860 -16.466 -8.256 296 HG1 THR 35 1HG THR 35 -1.449 -16.117 -9.055 297 HG21 THR 35 1HG2 THR 35 -3.113 -15.758 -10.494 298 HG22 THR 35 2HG2 THR 35 -2.800 -14.140 -9.867 299 HG23 THR 35 3HG2 THR 35 -4.447 -14.767 -9.907 300 H LYS 36 H LYS 36 -1.119 -14.375 -7.274 301 HA LYS 36 HA LYS 36 -0.657 -11.708 -6.623 302 HB2 LYS 36 2HB LYS 36 1.030 -13.511 -6.493 303 HB3 LYS 36 1HB LYS 36 1.083 -13.589 -8.242 304 HG2 LYS 36 2HG LYS 36 1.746 -11.033 -6.833 305 HG3 LYS 36 1HG LYS 36 2.937 -12.329 -6.940 306 HD2 LYS 36 2HD LYS 36 2.697 -12.312 -9.396 307 HD3 LYS 36 1HD LYS 36 1.555 -10.974 -9.258 308 HE2 LYS 36 2HE LYS 36 3.745 -10.127 -9.823 309 HE3 LYS 36 1HE LYS 36 3.309 -9.621 -8.192 310 HZ1 LYS 36 1HZ LYS 36 5.622 -10.415 -8.408 311 HZ2 LYS 36 2HZ LYS 36 5.045 -11.946 -8.813 312 HZ3 LYS 36 3HZ LYS 36 4.730 -11.304 -7.279 313 H GLU 37 H GLU 37 -0.842 -13.252 -9.816 314 HA GLU 37 HA GLU 37 -0.186 -11.082 -11.415 315 HB2 GLU 37 2HB GLU 37 -0.442 -13.356 -12.267 316 HB3 GLU 37 1HB GLU 37 -2.172 -13.288 -11.971 317 HG2 GLU 37 2HG GLU 37 -2.346 -11.458 -13.607 318 HG3 GLU 37 1HG GLU 37 -0.623 -11.626 -13.938 319 H GLU 38 H GLU 38 -3.352 -12.044 -10.183 320 HA GLU 38 HA GLU 38 -4.915 -10.086 -11.427 321 HB2 GLU 38 2HB GLU 38 -5.269 -11.535 -8.815 322 HB3 GLU 38 1HB GLU 38 -6.509 -10.531 -9.553 323 HG2 GLU 38 2HG GLU 38 -5.280 -12.836 -11.011 324 HG3 GLU 38 1HG GLU 38 -6.633 -13.049 -9.900 325 H ALA 39 H ALA 39 -3.422 -10.130 -8.206 326 HA ALA 39 HA ALA 39 -4.318 -7.607 -7.380 327 HB1 ALA 39 1HB ALA 39 -2.567 -7.731 -5.683 328 HB2 ALA 39 2HB ALA 39 -1.810 -9.066 -6.553 329 HB3 ALA 39 3HB ALA 39 -3.408 -9.274 -5.837 330 H LEU 40 H LEU 40 -1.408 -8.604 -9.112 331 HA LEU 40 HA LEU 40 -0.109 -6.112 -9.123 332 HB2 LEU 40 2HB LEU 40 0.824 -8.418 -9.726 333 HB3 LEU 40 1HB LEU 40 0.088 -8.202 -11.296 334 HG LEU 40 HG LEU 40 2.577 -7.725 -11.120 335 HD11 LEU 40 1HD1 LEU 40 0.794 -5.541 -12.169 336 HD12 LEU 40 2HD1 LEU 40 1.312 -6.987 -13.036 337 HD13 LEU 40 3HD1 LEU 40 2.494 -5.762 -12.578 338 HD21 LEU 40 1HD2 LEU 40 2.485 -6.518 -8.980 339 HD22 LEU 40 2HD2 LEU 40 1.615 -5.204 -9.773 340 HD23 LEU 40 3HD2 LEU 40 3.270 -5.580 -10.248 341 H GLU 41 H GLU 41 -2.438 -7.572 -11.356 342 HA GLU 41 HA GLU 41 -2.459 -5.576 -13.327 343 HB2 GLU 41 2HB GLU 41 -4.617 -7.453 -12.370 344 HB3 GLU 41 1HB GLU 41 -4.830 -6.379 -13.744 345 HG2 GLU 41 2HG GLU 41 -2.714 -8.499 -13.518 346 HG3 GLU 41 1HG GLU 41 -4.237 -8.670 -14.385 347 H LEU 42 H LEU 42 -4.265 -5.907 -10.326 348 HA LEU 42 HA LEU 42 -5.919 -3.652 -10.642 349 HB2 LEU 42 2HB LEU 42 -4.910 -4.860 -8.071 350 HB3 LEU 42 1HB LEU 42 -6.304 -3.815 -8.247 351 HG LEU 42 HG LEU 42 -6.022 -6.621 -9.312 352 HD11 LEU 42 1HD1 LEU 42 -7.788 -5.468 -7.169 353 HD12 LEU 42 2HD1 LEU 42 -6.379 -6.499 -6.913 354 HD13 LEU 42 3HD1 LEU 42 -7.801 -7.136 -7.739 355 HD21 LEU 42 1HD2 LEU 42 -7.307 -5.341 -10.885 356 HD22 LEU 42 2HD2 LEU 42 -8.269 -4.638 -9.589 357 HD23 LEU 42 3HD2 LEU 42 -8.407 -6.357 -9.951 358 H ILE 43 H ILE 43 -2.776 -4.090 -9.075 359 HA ILE 43 HA ILE 43 -2.411 -1.545 -8.021 360 HB ILE 43 HB ILE 43 -0.308 -3.354 -9.238 361 HG12 ILE 43 2HG1 ILE 43 -1.543 -4.456 -7.443 362 HG13 ILE 43 1HG1 ILE 43 0.096 -4.087 -6.923 363 HG21 ILE 43 1HG2 ILE 43 0.008 -1.026 -7.348 364 HG22 ILE 43 2HG2 ILE 43 0.545 -1.100 -9.025 365 HG23 ILE 43 3HG2 ILE 43 1.291 -2.139 -7.814 366 HD11 ILE 43 1HD1 ILE 43 -2.398 -2.571 -6.191 367 HD12 ILE 43 2HD1 ILE 43 -0.760 -2.127 -5.714 368 HD13 ILE 43 3HD1 ILE 43 -1.463 -3.639 -5.146 369 H ASN 44 H ASN 44 -1.559 -2.773 -11.236 370 HA ASN 44 HA ASN 44 -0.482 -0.416 -12.285 371 HB2 ASN 44 2HB ASN 44 -1.994 -2.622 -13.704 372 HB3 ASN 44 1HB ASN 44 -1.084 -1.358 -14.519 373 HD21 ASN 44 1HD2 ASN 44 -0.727 -4.216 -14.612 374 HD22 ASN 44 2HD2 ASN 44 0.884 -4.528 -14.074 375 H GLY 45 H GLY 45 -3.793 -1.644 -12.295 376 HA2 GLY 45 2HA GLY 45 -4.984 0.355 -13.821 377 HA3 GLY 45 1HA GLY 45 -5.807 -0.602 -12.600 378 H TYR 46 H TYR 46 -4.343 0.261 -10.354 379 HA TYR 46 HA TYR 46 -5.714 2.692 -9.803 380 HB2 TYR 46 2HB TYR 46 -3.539 1.343 -8.185 381 HB3 TYR 46 1HB TYR 46 -4.625 2.600 -7.606 382 HD1 TYR 46 1HD TYR 46 -7.205 1.626 -8.765 383 HD2 TYR 46 2HD TYR 46 -4.064 -0.478 -6.809 384 HE1 TYR 46 1HE TYR 46 -8.803 -0.104 -8.070 385 HE2 TYR 46 2HE TYR 46 -5.658 -2.214 -6.110 386 HH TYR 46 HH TYR 46 -8.781 -2.459 -7.421 387 H ILE 47 H ILE 47 -2.274 1.885 -10.201 388 HA ILE 47 HA ILE 47 -1.223 4.430 -9.773 389 HB ILE 47 HB ILE 47 -0.166 2.223 -11.554 390 HG12 ILE 47 2HG1 ILE 47 0.547 3.045 -8.727 391 HG13 ILE 47 1HG1 ILE 47 -0.392 1.626 -9.177 392 HG21 ILE 47 1HG2 ILE 47 1.251 4.696 -10.551 393 HG22 ILE 47 2HG2 ILE 47 0.809 4.355 -12.224 394 HG23 ILE 47 3HG2 ILE 47 2.011 3.355 -11.409 395 HD11 ILE 47 1HD1 ILE 47 2.489 2.129 -9.892 396 HD12 ILE 47 2HD1 ILE 47 1.550 0.701 -10.324 397 HD13 ILE 47 3HD1 ILE 47 1.904 1.043 -8.631 398 H GLN 48 H GLN 48 -2.305 2.945 -12.825 399 HA GLN 48 HA GLN 48 -1.589 5.009 -14.562 400 HB2 GLN 48 2HB GLN 48 -3.984 3.173 -14.730 401 HB3 GLN 48 1HB GLN 48 -3.386 4.166 -16.049 402 HG2 GLN 48 2HG GLN 48 -1.312 2.922 -16.087 403 HG3 GLN 48 1HG GLN 48 -1.830 1.975 -14.694 404 HE21 GLN 48 1HE2 GLN 48 -3.932 2.913 -17.337 405 HE22 GLN 48 2HE2 GLN 48 -4.159 1.320 -17.967 406 H LYS 49 H LYS 49 -4.538 4.571 -12.666 407 HA LYS 49 HA LYS 49 -5.851 6.880 -13.678 408 HB2 LYS 49 2HB LYS 49 -6.331 5.218 -11.208 409 HB3 LYS 49 1HB LYS 49 -7.360 6.559 -11.685 410 HG2 LYS 49 2HG LYS 49 -7.896 5.416 -13.772 411 HG3 LYS 49 1HG LYS 49 -6.846 4.076 -13.308 412 HD2 LYS 49 2HD LYS 49 -8.254 3.610 -11.380 413 HD3 LYS 49 1HD LYS 49 -9.274 4.995 -11.770 414 HE2 LYS 49 2HE LYS 49 -9.910 3.946 -13.875 415 HE3 LYS 49 1HE LYS 49 -8.868 2.570 -13.514 416 HZ1 LYS 49 1HZ LYS 49 -11.289 3.404 -12.002 417 HZ2 LYS 49 2HZ LYS 49 -10.248 2.159 -11.529 418 HZ3 LYS 49 3HZ LYS 49 -11.118 2.022 -12.962 419 H ILE 50 H ILE 50 -3.943 6.246 -10.763 420 HA ILE 50 HA ILE 50 -4.327 8.708 -9.483 421 HB ILE 50 HB ILE 50 -1.924 6.866 -9.411 422 HG12 ILE 50 2HG1 ILE 50 -4.207 7.195 -7.454 423 HG13 ILE 50 1HG1 ILE 50 -4.083 5.901 -8.642 424 HG21 ILE 50 1HG2 ILE 50 -2.623 9.130 -7.541 425 HG22 ILE 50 2HG2 ILE 50 -1.292 9.119 -8.697 426 HG23 ILE 50 3HG2 ILE 50 -1.288 7.996 -7.336 427 HD11 ILE 50 1HD1 ILE 50 -3.401 5.167 -6.424 428 HD12 ILE 50 2HD1 ILE 50 -2.150 6.412 -6.394 429 HD13 ILE 50 3HD1 ILE 50 -2.058 5.096 -7.564 430 H LYS 51 H LYS 51 -1.686 7.686 -11.642 431 HA LYS 51 HA LYS 51 -0.414 10.226 -11.621 432 HB2 LYS 51 2HB LYS 51 -0.124 8.004 -13.645 433 HB3 LYS 51 1HB LYS 51 0.988 9.344 -13.414 434 HG2 LYS 51 2HG LYS 51 0.422 7.103 -11.478 435 HG3 LYS 51 1HG LYS 51 1.897 7.357 -12.409 436 HD2 LYS 51 2HD LYS 51 0.829 9.211 -10.276 437 HD3 LYS 51 1HD LYS 51 2.139 8.052 -10.060 438 HE2 LYS 51 2HE LYS 51 3.468 9.225 -11.735 439 HE3 LYS 51 1HE LYS 51 2.147 10.360 -12.003 440 HZ1 LYS 51 1HZ LYS 51 3.666 10.011 -9.478 441 HZ2 LYS 51 2HZ LYS 51 2.356 11.050 -9.680 442 HZ3 LYS 51 3HZ LYS 51 3.783 11.319 -10.541 443 H SER 52 H SER 52 -3.117 9.035 -13.325 444 HA SER 52 HA SER 52 -2.854 10.945 -15.500 445 HB2 SER 52 2HB SER 52 -3.789 8.582 -15.761 446 HB3 SER 52 1HB SER 52 -5.221 9.161 -14.917 447 HG SER 52 HG SER 52 -5.376 10.791 -16.605 448 H GLY 53 H GLY 53 -3.941 10.999 -12.338 449 HA2 GLY 53 2HA GLY 53 -5.027 12.672 -11.166 450 HA3 GLY 53 1HA GLY 53 -5.226 13.548 -12.680 451 H GLU 54 H GLU 54 -6.243 10.267 -12.360 452 HA GLU 54 HA GLU 54 -9.004 11.052 -12.863 453 HB2 GLU 54 2HB GLU 54 -7.961 9.326 -14.275 454 HB3 GLU 54 1HB GLU 54 -7.662 8.338 -12.855 455 HG2 GLU 54 2HG GLU 54 -9.546 7.420 -13.916 456 HG3 GLU 54 1HG GLU 54 -10.153 8.288 -12.508 457 H GLU 55 H GLU 55 -7.248 8.830 -10.712 458 HA GLU 55 HA GLU 55 -9.448 9.086 -8.782 459 HB2 GLU 55 2HB GLU 55 -7.522 6.808 -9.226 460 HB3 GLU 55 1HB GLU 55 -8.645 6.901 -7.879 461 HG2 GLU 55 2HG GLU 55 -9.404 6.828 -10.785 462 HG3 GLU 55 1HG GLU 55 -9.452 5.459 -9.674 463 H ASP 56 H ASP 56 -8.948 9.279 -6.611 464 HA ASP 56 HA ASP 56 -6.316 10.432 -6.078 465 HB2 ASP 56 2HB ASP 56 -8.906 10.472 -4.506 466 HB3 ASP 56 1HB ASP 56 -7.396 11.150 -3.911 467 H PHE 57 H PHE 57 -4.865 9.469 -4.745 468 HA PHE 57 HA PHE 57 -5.032 6.726 -4.247 469 HB2 PHE 57 2HB PHE 57 -2.893 8.000 -4.335 470 HB3 PHE 57 1HB PHE 57 -3.288 8.721 -2.778 471 HD1 PHE 57 1HD PHE 57 -2.356 5.612 -4.497 472 HD2 PHE 57 2HD PHE 57 -3.027 7.482 -0.736 473 HE1 PHE 57 1HE PHE 57 -1.314 3.698 -3.364 474 HE2 PHE 57 2HE PHE 57 -1.983 5.566 0.402 475 HZ PHE 57 HZ PHE 57 -1.125 3.673 -0.912 476 H GLU 58 H GLU 58 -5.835 9.485 -2.261 477 HA GLU 58 HA GLU 58 -6.233 8.314 0.214 478 HB2 GLU 58 2HB GLU 58 -7.838 10.483 -1.135 479 HB3 GLU 58 1HB GLU 58 -7.910 10.101 0.577 480 HG2 GLU 58 2HG GLU 58 -5.793 10.925 0.985 481 HG3 GLU 58 1HG GLU 58 -5.313 10.812 -0.708 482 H SER 59 H SER 59 -8.655 8.790 -2.354 483 HA SER 59 HA SER 59 -10.728 7.424 -1.070 484 HB2 SER 59 2HB SER 59 -10.327 7.807 -4.040 485 HB3 SER 59 1HB SER 59 -11.857 7.515 -3.207 486 HG SER 59 HG SER 59 -11.525 9.742 -3.657 487 H LEU 60 H LEU 60 -8.262 6.324 -3.348 488 HA LEU 60 HA LEU 60 -9.309 3.730 -3.711 489 HB2 LEU 60 2HB LEU 60 -6.448 4.670 -3.902 490 HB3 LEU 60 1HB LEU 60 -7.054 3.145 -4.512 491 HG LEU 60 HG LEU 60 -7.844 5.882 -5.513 492 HD11 LEU 60 1HD1 LEU 60 -6.158 3.726 -6.763 493 HD12 LEU 60 2HD1 LEU 60 -5.581 5.270 -6.137 494 HD13 LEU 60 3HD1 LEU 60 -6.651 5.231 -7.538 495 HD21 LEU 60 1HD2 LEU 60 -9.695 4.321 -5.700 496 HD22 LEU 60 2HD2 LEU 60 -8.642 3.133 -6.467 497 HD23 LEU 60 3HD2 LEU 60 -9.010 4.648 -7.291 498 H ALA 61 H ALA 61 -6.937 5.039 -1.434 499 HA ALA 61 HA ALA 61 -6.379 2.537 -0.200 500 HB1 ALA 61 1HB ALA 61 -5.162 3.822 1.452 501 HB2 ALA 61 2HB ALA 61 -5.913 5.312 0.881 502 HB3 ALA 61 3HB ALA 61 -4.805 4.427 -0.167 503 H SER 62 H SER 62 -8.868 4.893 0.215 504 HA SER 62 HA SER 62 -9.603 3.887 2.841 505 HB2 SER 62 2HB SER 62 -11.020 5.927 1.109 506 HB3 SER 62 1HB SER 62 -11.316 5.615 2.819 507 HG SER 62 HG SER 62 -8.837 6.504 1.741 508 H GLN 63 H GLN 63 -9.915 2.589 -0.075 509 HA GLN 63 HA GLN 63 -12.562 1.453 0.519 510 HB2 GLN 63 2HB GLN 63 -11.616 2.474 -2.149 511 HB3 GLN 63 1HB GLN 63 -13.016 1.432 -1.956 512 HG2 GLN 63 2HG GLN 63 -14.150 3.095 -0.659 513 HG3 GLN 63 1HG GLN 63 -12.714 4.116 -0.633 514 HE21 GLN 63 1HE2 GLN 63 -12.059 3.593 -3.409 515 HE22 GLN 63 2HE2 GLN 63 -13.191 4.484 -4.357 516 H PHE 64 H PHE 64 -9.630 1.061 -1.480 517 HA PHE 64 HA PHE 64 -10.266 -1.761 -1.798 518 HB2 PHE 64 2HB PHE 64 -8.089 -0.082 -3.041 519 HB3 PHE 64 1HB PHE 64 -8.375 -1.783 -3.396 520 HD1 PHE 64 1HD PHE 64 -9.270 1.595 -4.156 521 HD2 PHE 64 2HD PHE 64 -10.612 -2.435 -4.389 522 HE1 PHE 64 1HE PHE 64 -10.895 2.240 -5.888 523 HE2 PHE 64 2HE PHE 64 -12.237 -1.798 -6.122 524 HZ PHE 64 HZ PHE 64 -12.380 0.542 -6.872 525 H SER 65 H SER 65 -8.206 0.202 0.110 526 HA SER 65 HA SER 65 -6.234 -1.814 0.616 527 HB2 SER 65 2HB SER 65 -5.936 0.725 0.849 528 HB3 SER 65 1HB SER 65 -6.837 0.586 2.353 529 HG SER 65 HG SER 65 -4.474 0.496 2.479 530 H ASP 66 H ASP 66 -6.831 -3.653 1.633 531 HA ASP 66 HA ASP 66 -9.057 -3.606 3.484 532 HB2 ASP 66 2HB ASP 66 -8.671 -5.496 1.848 533 HB3 ASP 66 1HB ASP 66 -7.308 -5.987 2.849 534 H CYS 67 H CYS 67 -7.898 -2.109 4.863 535 HA CYS 67 HA CYS 67 -6.652 -3.558 7.062 536 HB2 CYS 67 2HB CYS 67 -4.793 -2.688 5.629 537 HB3 CYS 67 1HB CYS 67 -5.422 -1.065 5.856 538 HG CYS 67 HG CYS 67 -4.474 -2.957 8.531 539 H SER 68 H SER 68 -6.697 -2.244 9.074 540 HA SER 68 HA SER 68 -9.162 -0.921 9.389 541 HB2 SER 68 2HB SER 68 -8.155 -0.304 11.663 542 HB3 SER 68 1HB SER 68 -8.291 -2.021 11.285 543 HG SER 68 HG SER 68 -6.058 -0.486 11.699 544 H SER 69 H SER 69 -5.938 0.223 8.735 545 HA SER 69 HA SER 69 -6.323 2.935 9.373 546 HB2 SER 69 2HB SER 69 -4.364 3.172 7.630 547 HB3 SER 69 1HB SER 69 -4.084 2.414 9.196 548 HG SER 69 HG SER 69 -3.965 0.483 8.281 549 H ALA 70 H ALA 70 -7.377 1.068 6.690 550 HA ALA 70 HA ALA 70 -7.548 2.987 4.670 551 HB1 ALA 70 1HB ALA 70 -9.290 1.597 3.707 552 HB2 ALA 70 2HB ALA 70 -9.480 0.753 5.243 553 HB3 ALA 70 3HB ALA 70 -7.978 0.596 4.333 554 H LYS 71 H LYS 71 -9.636 2.353 7.417 555 HA LYS 71 HA LYS 71 -11.724 4.103 6.592 556 HB2 LYS 71 2HB LYS 71 -11.074 3.074 9.358 557 HB3 LYS 71 1HB LYS 71 -12.589 3.819 8.865 558 HG2 LYS 71 2HG LYS 71 -12.942 1.966 7.272 559 HG3 LYS 71 1HG LYS 71 -11.472 1.204 7.879 560 HD2 LYS 71 2HD LYS 71 -12.468 1.115 10.125 561 HD3 LYS 71 1HD LYS 71 -13.945 1.841 9.488 562 HE2 LYS 71 2HE LYS 71 -14.176 -0.081 7.947 563 HE3 LYS 71 1HE LYS 71 -12.754 -0.814 8.686 564 HZ1 LYS 71 1HZ LYS 71 -15.319 -0.197 10.040 565 HZ2 LYS 71 2HZ LYS 71 -13.948 -0.812 10.813 566 HZ3 LYS 71 3HZ LYS 71 -14.739 -1.733 9.638 567 H ALA 72 H ALA 72 -8.654 4.590 7.822 568 HA ALA 72 HA ALA 72 -9.276 7.306 8.754 569 HB1 ALA 72 1HB ALA 72 -7.103 7.224 9.888 570 HB2 ALA 72 2HB ALA 72 -6.824 5.605 9.246 571 HB3 ALA 72 3HB ALA 72 -8.131 5.883 10.398 572 H ARG 73 H ARG 73 -9.139 6.424 5.985 573 HA ARG 73 HA ARG 73 -8.559 7.406 4.029 574 HB2 ARG 73 2HB ARG 73 -7.200 9.194 5.890 575 HB3 ARG 73 1HB ARG 73 -6.362 9.041 4.353 576 HG2 ARG 73 2HG ARG 73 -7.901 10.906 4.325 577 HG3 ARG 73 1HG ARG 73 -8.395 9.667 3.174 578 HD2 ARG 73 2HD ARG 73 -9.974 8.809 4.932 579 HD3 ARG 73 1HD ARG 73 -9.587 10.246 5.877 580 HE ARG 73 HE ARG 73 -10.307 11.290 3.510 581 HH11 ARG 73 1HH1 ARG 73 -11.865 9.011 5.677 582 HH12 ARG 73 2HH1 ARG 73 -13.462 9.374 5.120 583 HH21 ARG 73 1HH2 ARG 73 -12.442 11.774 2.774 584 HH22 ARG 73 2HH2 ARG 73 -13.789 10.939 3.472 585 H GLY 74 H GLY 74 -6.775 5.366 5.787 586 HA2 GLY 74 2HA GLY 74 -5.423 3.671 4.929 587 HA3 GLY 74 1HA GLY 74 -5.265 4.586 3.437 588 H ASP 75 H ASP 75 -4.680 6.722 5.826 589 HA ASP 75 HA ASP 75 -1.832 6.569 5.381 590 HB2 ASP 75 2HB ASP 75 -3.083 8.739 5.310 591 HB3 ASP 75 1HB ASP 75 -3.346 8.581 7.044 592 H LEU 76 H LEU 76 -0.295 6.096 6.874 593 HA LEU 76 HA LEU 76 -1.274 4.710 9.257 594 HB2 LEU 76 2HB LEU 76 1.424 4.722 7.916 595 HB3 LEU 76 1HB LEU 76 1.049 3.824 9.372 596 HG LEU 76 HG LEU 76 -0.264 3.387 6.691 597 HD11 LEU 76 1HD1 LEU 76 1.845 1.775 8.119 598 HD12 LEU 76 2HD1 LEU 76 2.090 2.743 6.666 599 HD13 LEU 76 3HD1 LEU 76 1.040 1.327 6.615 600 HD21 LEU 76 1HD2 LEU 76 -1.715 2.813 8.555 601 HD22 LEU 76 2HD2 LEU 76 -0.427 1.851 9.280 602 HD23 LEU 76 3HD2 LEU 76 -1.143 1.355 7.746 603 H GLY 77 H GLY 77 -0.093 7.720 8.469 604 HA2 GLY 77 2HA GLY 77 0.466 9.450 9.915 605 HA3 GLY 77 1HA GLY 77 0.553 8.284 11.234 606 H ALA 78 H ALA 78 2.558 9.509 11.742 607 HA ALA 78 HA ALA 78 4.772 8.939 9.936 608 HB1 ALA 78 1HB ALA 78 4.613 11.184 10.885 609 HB2 ALA 78 2HB ALA 78 6.087 10.370 11.414 610 HB3 ALA 78 3HB ALA 78 4.713 10.508 12.511 611 H PHE 79 H PHE 79 5.919 7.170 10.159 612 HA PHE 79 HA PHE 79 6.021 5.911 12.811 613 HB2 PHE 79 2HB PHE 79 6.208 3.712 11.590 614 HB3 PHE 79 1HB PHE 79 4.644 4.505 11.482 615 HD1 PHE 79 1HD PHE 79 3.857 5.419 9.378 616 HD2 PHE 79 2HD PHE 79 7.634 3.472 9.649 617 HE1 PHE 79 1HE PHE 79 3.934 5.237 6.928 618 HE2 PHE 79 2HE PHE 79 7.716 3.290 7.195 619 HZ PHE 79 HZ PHE 79 5.865 4.174 5.834 620 H SER 80 H SER 80 7.889 4.344 13.019 621 HA SER 80 HA SER 80 10.292 5.607 11.883 622 HB2 SER 80 2HB SER 80 10.013 4.211 14.551 623 HB3 SER 80 1HB SER 80 11.446 5.039 13.944 624 HG SER 80 HG SER 80 8.970 6.363 14.211 625 H ARG 81 H ARG 81 12.240 4.042 12.101 626 HA ARG 81 HA ARG 81 11.746 1.784 10.461 627 HB2 ARG 81 2HB ARG 81 13.853 2.998 10.339 628 HB3 ARG 81 1HB ARG 81 14.209 2.598 12.012 629 HG2 ARG 81 2HG ARG 81 14.231 0.188 11.349 630 HG3 ARG 81 1HG ARG 81 14.094 0.713 9.671 631 HD2 ARG 81 2HD ARG 81 16.309 1.457 11.579 632 HD3 ARG 81 1HD ARG 81 16.417 0.249 10.301 633 HE ARG 81 HE ARG 81 15.647 2.563 9.044 634 HH11 ARG 81 1HH1 ARG 81 18.352 1.603 11.048 635 HH12 ARG 81 2HH1 ARG 81 19.468 2.677 10.284 636 HH21 ARG 81 1HH2 ARG 81 17.111 3.974 8.027 637 HH22 ARG 81 2HH2 ARG 81 18.761 4.038 8.552 638 H GLY 82 H GLY 82 11.573 -0.327 10.919 639 HA2 GLY 82 2HA GLY 82 11.925 -2.294 12.183 640 HA3 GLY 82 1HA GLY 82 12.230 -1.302 13.598 641 H GLN 83 H GLN 83 9.438 -1.003 11.453 642 HA GLN 83 HA GLN 83 7.787 -2.131 13.608 643 HB2 GLN 83 2HB GLN 83 7.263 0.459 12.165 644 HB3 GLN 83 1HB GLN 83 6.119 -0.336 13.236 645 HG2 GLN 83 2HG GLN 83 7.747 -0.128 15.075 646 HG3 GLN 83 1HG GLN 83 8.820 0.755 13.988 647 HE21 GLN 83 1HE2 GLN 83 6.605 2.096 12.663 648 HE22 GLN 83 2HE2 GLN 83 6.039 3.300 13.772 649 H MET 84 H MET 84 8.028 -1.316 10.179 650 HA MET 84 HA MET 84 5.735 -3.099 9.685 651 HB2 MET 84 2HB MET 84 6.921 -0.884 8.011 652 HB3 MET 84 1HB MET 84 5.778 -2.049 7.361 653 HG2 MET 84 2HG MET 84 4.564 -0.091 7.924 654 HG3 MET 84 1HG MET 84 4.154 -1.321 9.114 655 HE1 MET 84 1HE MET 84 3.104 0.506 10.698 656 HE2 MET 84 2HE MET 84 3.489 1.769 9.528 657 HE3 MET 84 3HE MET 84 3.948 1.965 11.219 658 H GLN 85 H GLN 85 6.007 -4.101 7.302 659 HA GLN 85 HA GLN 85 8.129 -5.956 7.486 660 HB2 GLN 85 2HB GLN 85 6.378 -5.253 5.120 661 HB3 GLN 85 1HB GLN 85 7.455 -6.639 5.190 662 HG2 GLN 85 2HG GLN 85 5.095 -6.150 6.993 663 HG3 GLN 85 1HG GLN 85 5.144 -7.266 5.632 664 HE21 GLN 85 1HE2 GLN 85 6.190 -6.667 8.887 665 HE22 GLN 85 2HE2 GLN 85 6.758 -8.261 9.222 666 H LYS 86 H LYS 86 10.064 -6.099 6.395 667 HA LYS 86 HA LYS 86 11.495 -3.768 6.141 668 HB2 LYS 86 2HB LYS 86 12.509 -5.979 6.491 669 HB3 LYS 86 1HB LYS 86 12.176 -6.391 4.816 670 HG2 LYS 86 2HG LYS 86 14.502 -5.735 5.137 671 HG3 LYS 86 1HG LYS 86 13.659 -4.613 4.065 672 HD2 LYS 86 2HD LYS 86 13.393 -3.028 5.883 673 HD3 LYS 86 1HD LYS 86 14.130 -4.162 7.014 674 HE2 LYS 86 2HE LYS 86 15.474 -2.906 4.626 675 HE3 LYS 86 1HE LYS 86 15.710 -2.439 6.307 676 HZ1 LYS 86 1HZ LYS 86 16.426 -5.046 5.085 677 HZ2 LYS 86 2HZ LYS 86 16.532 -4.706 6.733 678 HZ3 LYS 86 3HZ LYS 86 17.491 -3.855 5.634 679 HA PRO 87 HA PRO 87 11.299 -4.026 1.228 680 HB2 PRO 87 2HB PRO 87 8.870 -5.090 0.365 681 HB3 PRO 87 1HB PRO 87 10.423 -5.929 0.319 682 HG2 PRO 87 2HG PRO 87 8.231 -6.107 2.346 683 HG3 PRO 87 1HG PRO 87 9.252 -7.397 1.681 684 HD2 PRO 87 2HD PRO 87 9.708 -6.409 4.114 685 HD3 PRO 87 1HD PRO 87 11.057 -6.831 3.036 686 H PHE 88 H PHE 88 8.380 -3.762 3.175 687 HA PHE 88 HA PHE 88 7.245 -1.634 1.620 688 HB2 PHE 88 2HB PHE 88 5.756 -3.129 2.806 689 HB3 PHE 88 1HB PHE 88 6.536 -2.759 4.337 690 HD1 PHE 88 1HD PHE 88 5.982 -0.781 5.562 691 HD2 PHE 88 2HD PHE 88 4.300 -1.479 1.718 692 HE1 PHE 88 1HE PHE 88 4.359 1.022 5.953 693 HE2 PHE 88 2HE PHE 88 2.673 0.326 2.103 694 HZ PHE 88 HZ PHE 88 2.703 1.579 4.223 695 H GLU 89 H GLU 89 8.724 -1.855 4.832 696 HA GLU 89 HA GLU 89 8.461 0.874 5.460 697 HB2 GLU 89 2HB GLU 89 8.872 -1.115 7.002 698 HB3 GLU 89 1HB GLU 89 10.567 -0.948 6.571 699 HG2 GLU 89 2HG GLU 89 10.433 1.419 7.366 700 HG3 GLU 89 1HG GLU 89 8.827 1.039 7.989 701 H ASP 90 H ASP 90 11.184 -0.977 4.113 702 HA ASP 90 HA ASP 90 13.056 1.128 4.132 703 HB2 ASP 90 2HB ASP 90 13.804 -1.151 3.830 704 HB3 ASP 90 1HB ASP 90 12.870 -1.306 2.347 705 H ALA 91 H ALA 91 10.579 0.221 1.834 706 HA ALA 91 HA ALA 91 11.435 2.013 -0.216 707 HB1 ALA 91 1HB ALA 91 9.323 1.480 -1.297 708 HB2 ALA 91 2HB ALA 91 8.743 0.715 0.183 709 HB3 ALA 91 3HB ALA 91 10.097 0.012 -0.699 710 H ALA 92 H ALA 92 9.172 2.186 2.469 711 HA ALA 92 HA ALA 92 7.897 4.594 1.751 712 HB1 ALA 92 1HB ALA 92 7.190 4.711 4.083 713 HB2 ALA 92 2HB ALA 92 8.369 3.471 4.513 714 HB3 ALA 92 3HB ALA 92 7.014 3.071 3.457 715 H PHE 93 H PHE 93 10.787 3.922 3.656 716 HA PHE 93 HA PHE 93 11.276 6.678 4.283 717 HB2 PHE 93 2HB PHE 93 12.880 4.152 4.614 718 HB3 PHE 93 1HB PHE 93 13.587 5.726 4.949 719 HD1 PHE 93 1HD PHE 93 10.594 3.673 5.822 720 HD2 PHE 93 2HD PHE 93 13.434 6.576 7.081 721 HE1 PHE 93 1HE PHE 93 9.650 3.610 8.091 722 HE2 PHE 93 2HE PHE 93 12.491 6.521 9.349 723 HZ PHE 93 HZ PHE 93 10.597 5.035 9.856 724 H ALA 94 H ALA 94 11.512 5.029 1.450 725 HA ALA 94 HA ALA 94 13.883 6.464 0.502 726 HB1 ALA 94 1HB ALA 94 13.749 5.033 -1.466 727 HB2 ALA 94 2HB ALA 94 12.240 4.338 -0.873 728 HB3 ALA 94 3HB ALA 94 13.743 4.063 0.007 729 H LEU 95 H LEU 95 10.618 6.907 0.729 730 HA LEU 95 HA LEU 95 10.402 8.396 -1.786 731 HB2 LEU 95 2HB LEU 95 8.306 7.695 0.265 732 HB3 LEU 95 1HB LEU 95 8.010 8.561 -1.226 733 HG LEU 95 HG LEU 95 8.939 5.700 -1.010 734 HD11 LEU 95 1HD1 LEU 95 6.275 6.883 -1.769 735 HD12 LEU 95 2HD1 LEU 95 6.642 6.006 -0.284 736 HD13 LEU 95 3HD1 LEU 95 6.697 5.173 -1.836 737 HD21 LEU 95 1HD2 LEU 95 9.797 6.774 -3.023 738 HD22 LEU 95 2HD2 LEU 95 8.183 7.362 -3.417 739 HD23 LEU 95 3HD2 LEU 95 8.519 5.631 -3.433 740 H ARG 96 H ARG 96 9.835 10.571 -1.803 741 HA ARG 96 HA ARG 96 10.311 11.997 0.716 742 HB2 ARG 96 2HB ARG 96 10.351 13.006 -2.133 743 HB3 ARG 96 1HB ARG 96 10.729 13.959 -0.705 744 HG2 ARG 96 2HG ARG 96 12.706 12.750 -0.297 745 HG3 ARG 96 1HG ARG 96 12.252 11.482 -1.438 746 HD2 ARG 96 2HD ARG 96 12.364 13.172 -3.256 747 HD3 ARG 96 1HD ARG 96 12.983 14.330 -2.080 748 HE ARG 96 HE ARG 96 14.989 13.179 -2.004 749 HH11 ARG 96 1HH1 ARG 96 12.663 11.447 -4.005 750 HH12 ARG 96 2HH1 ARG 96 13.876 10.503 -4.804 751 HH21 ARG 96 1HH2 ARG 96 16.592 11.894 -3.065 752 HH22 ARG 96 2HH2 ARG 96 16.105 10.751 -4.269 753 H THR 97 H THR 97 9.032 14.218 0.657 754 HA THR 97 HA THR 97 6.330 13.597 1.000 755 HB THR 97 HB THR 97 7.474 16.356 0.520 756 HG1 THR 97 1HG THR 97 7.302 14.841 2.951 757 HG21 THR 97 1HG2 THR 97 5.080 15.394 2.103 758 HG22 THR 97 2HG2 THR 97 5.026 16.259 0.568 759 HG23 THR 97 3HG2 THR 97 5.643 17.064 2.012 760 H GLY 98 H GLY 98 5.079 12.915 -0.652 761 HA2 GLY 98 2HA GLY 98 3.600 13.661 -2.394 762 HA3 GLY 98 1HA GLY 98 4.888 14.697 -2.985 763 H GLU 99 H GLU 99 6.212 11.736 -2.174 764 HA GLU 99 HA GLU 99 6.069 10.907 -4.982 765 HB2 GLU 99 2HB GLU 99 8.092 10.234 -2.849 766 HB3 GLU 99 1HB GLU 99 8.070 9.494 -4.443 767 HG2 GLU 99 2HG GLU 99 8.206 11.882 -5.347 768 HG3 GLU 99 1HG GLU 99 8.656 12.333 -3.703 769 H MET 100 H MET 100 5.761 8.738 -5.551 770 HA MET 100 HA MET 100 4.435 7.095 -3.495 771 HB2 MET 100 2HB MET 100 2.813 8.202 -5.046 772 HB3 MET 100 1HB MET 100 3.592 7.379 -6.384 773 HG2 MET 100 2HG MET 100 2.981 5.215 -5.389 774 HG3 MET 100 1HG MET 100 2.152 6.067 -4.088 775 HE1 MET 100 1HE MET 100 2.169 5.094 -7.862 776 HE2 MET 100 2HE MET 100 2.310 6.848 -7.975 777 HE3 MET 100 3HE MET 100 0.836 6.046 -8.512 778 H SER 101 H SER 101 4.970 4.969 -3.490 779 HA SER 101 HA SER 101 7.064 4.115 -5.344 780 HB2 SER 101 2HB SER 101 7.456 3.755 -2.929 781 HB3 SER 101 1HB SER 101 5.998 2.768 -2.839 782 HG SER 101 HG SER 101 6.978 1.189 -3.972 783 H GLY 102 H GLY 102 6.911 2.086 -6.440 784 HA2 GLY 102 2HA GLY 102 4.281 1.613 -7.493 785 HA3 GLY 102 1HA GLY 102 5.766 0.808 -7.975 786 HA PRO 103 HA PRO 103 3.167 -2.322 -5.804 787 HB2 PRO 103 2HB PRO 103 4.164 -4.423 -7.256 788 HB3 PRO 103 1HB PRO 103 2.767 -3.463 -7.746 789 HG2 PRO 103 2HG PRO 103 5.610 -3.271 -8.644 790 HG3 PRO 103 1HG PRO 103 4.120 -3.132 -9.597 791 HD2 PRO 103 2HD PRO 103 5.548 -0.978 -8.839 792 HD3 PRO 103 1HD PRO 103 3.779 -0.937 -8.972 793 H VAL 104 H VAL 104 4.045 -2.535 -3.841 794 HA VAL 104 HA VAL 104 6.722 -3.664 -3.549 795 HB VAL 104 HB VAL 104 4.765 -2.654 -1.463 796 HG11 VAL 104 1HG1 VAL 104 7.639 -3.513 -1.148 797 HG12 VAL 104 2HG1 VAL 104 6.228 -4.391 -0.563 798 HG13 VAL 104 3HG1 VAL 104 6.626 -2.813 0.114 799 HG21 VAL 104 1HG2 VAL 104 5.643 -0.864 -2.866 800 HG22 VAL 104 2HG2 VAL 104 7.290 -1.410 -2.554 801 HG23 VAL 104 3HG2 VAL 104 6.312 -0.763 -1.238 802 H PHE 105 H PHE 105 6.899 -5.784 -3.488 803 HA PHE 105 HA PHE 105 4.532 -7.411 -3.166 804 HB2 PHE 105 2HB PHE 105 7.367 -8.247 -3.784 805 HB3 PHE 105 1HB PHE 105 5.928 -9.253 -3.924 806 HD1 PHE 105 1HD PHE 105 8.088 -6.971 -5.591 807 HD2 PHE 105 2HD PHE 105 4.106 -8.466 -5.547 808 HE1 PHE 105 1HE PHE 105 7.772 -6.181 -7.897 809 HE2 PHE 105 2HE PHE 105 3.785 -7.680 -7.855 810 HZ PHE 105 HZ PHE 105 5.617 -6.536 -9.032 811 H THR 106 H THR 106 3.988 -8.566 -1.466 812 HA THR 106 HA THR 106 5.920 -9.318 0.557 813 HB THR 106 HB THR 106 3.493 -7.636 1.279 814 HG1 THR 106 1HG THR 106 5.976 -6.916 0.474 815 HG21 THR 106 1HG2 THR 106 5.813 -8.559 2.985 816 HG22 THR 106 2HG2 THR 106 4.201 -9.273 3.004 817 HG23 THR 106 3HG2 THR 106 4.432 -7.603 3.523 818 H ASP 107 H ASP 107 5.091 -11.004 1.935 819 HA ASP 107 HA ASP 107 3.383 -12.825 0.652 820 HB2 ASP 107 2HB ASP 107 4.356 -12.715 3.505 821 HB3 ASP 107 1HB ASP 107 3.424 -14.061 2.857 822 H SER 108 H SER 108 2.670 -10.252 2.836 823 HA SER 108 HA SER 108 0.046 -11.219 3.535 824 HB2 SER 108 2HB SER 108 1.137 -8.420 3.857 825 HB3 SER 108 1HB SER 108 -0.184 -9.171 4.755 826 HG SER 108 HG SER 108 1.809 -10.770 5.120 827 H GLY 109 H GLY 109 1.427 -9.635 0.875 828 HA2 GLY 109 2HA GLY 109 -0.393 -9.557 -0.950 829 HA3 GLY 109 1HA GLY 109 -1.090 -8.343 0.117 830 H ILE 110 H ILE 110 -0.592 -7.458 -2.300 831 HA ILE 110 HA ILE 110 2.085 -6.330 -2.411 832 HB ILE 110 HB ILE 110 -0.247 -5.888 -4.307 833 HG12 ILE 110 2HG1 ILE 110 2.092 -7.803 -4.508 834 HG13 ILE 110 1HG1 ILE 110 0.414 -8.254 -4.229 835 HG21 ILE 110 1HG2 ILE 110 2.703 -5.299 -4.589 836 HG22 ILE 110 2HG2 ILE 110 1.402 -4.115 -4.455 837 HG23 ILE 110 3HG2 ILE 110 1.514 -5.147 -5.881 838 HD11 ILE 110 1HD1 ILE 110 1.508 -6.949 -6.712 839 HD12 ILE 110 2HD1 ILE 110 -0.178 -7.388 -6.438 840 HD13 ILE 110 3HD1 ILE 110 1.058 -8.645 -6.535 841 H HIS 111 H HIS 111 2.527 -4.125 -2.213 842 HA HIS 111 HA HIS 111 0.322 -2.539 -1.062 843 HB2 HIS 111 2HB HIS 111 3.174 -2.266 -0.152 844 HB3 HIS 111 1HB HIS 111 1.718 -1.671 0.624 845 HD1 HIS 111 1HD HIS 111 0.054 -4.079 1.061 846 HD2 HIS 111 2HD HIS 111 4.184 -4.194 1.386 847 HE1 HIS 111 1HE HIS 111 0.561 -6.047 2.539 848 HE2 HIS 111 2HE HIS 111 3.031 -5.903 2.933 849 H ILE 112 H ILE 112 0.191 -0.447 -1.628 850 HA ILE 112 HA ILE 112 2.300 0.671 -3.358 851 HB ILE 112 HB ILE 112 -0.565 1.653 -3.096 852 HG12 ILE 112 2HG1 ILE 112 0.664 0.009 -5.323 853 HG13 ILE 112 1HG1 ILE 112 -0.501 -0.583 -4.145 854 HG21 ILE 112 1HG2 ILE 112 1.613 2.349 -5.066 855 HG22 ILE 112 2HG2 ILE 112 1.022 3.376 -3.761 856 HG23 ILE 112 3HG2 ILE 112 -0.039 2.963 -5.108 857 HD11 ILE 112 1HD1 ILE 112 -0.990 1.558 -6.205 858 HD12 ILE 112 2HD1 ILE 112 -2.158 1.008 -5.005 859 HD13 ILE 112 3HD1 ILE 112 -1.588 -0.100 -6.253 860 H ILE 113 H ILE 113 3.322 2.506 -2.610 861 HA ILE 113 HA ILE 113 2.448 3.420 0.056 862 HB ILE 113 HB ILE 113 5.275 3.526 -0.993 863 HG12 ILE 113 2HG1 ILE 113 4.063 1.486 0.882 864 HG13 ILE 113 1HG1 ILE 113 4.463 1.183 -0.805 865 HG21 ILE 113 1HG2 ILE 113 4.128 3.822 1.785 866 HG22 ILE 113 2HG2 ILE 113 4.760 5.123 0.776 867 HG23 ILE 113 3HG2 ILE 113 5.842 3.864 1.371 868 HD11 ILE 113 1HD1 ILE 113 6.412 1.926 1.360 869 HD12 ILE 113 2HD1 ILE 113 6.809 1.593 -0.326 870 HD13 ILE 113 3HD1 ILE 113 6.159 0.311 0.698 871 H LEU 114 H LEU 114 1.977 5.484 0.305 872 HA LEU 114 HA LEU 114 3.021 7.440 -1.629 873 HB2 LEU 114 2HB LEU 114 0.627 6.911 -2.080 874 HB3 LEU 114 1HB LEU 114 0.229 7.369 -0.442 875 HG LEU 114 HG LEU 114 -0.314 9.031 -2.306 876 HD11 LEU 114 1HD1 LEU 114 1.346 9.988 0.017 877 HD12 LEU 114 2HD1 LEU 114 -0.388 9.669 0.032 878 HD13 LEU 114 3HD1 LEU 114 0.259 10.981 -0.953 879 HD21 LEU 114 1HD2 LEU 114 1.742 8.880 -3.555 880 HD22 LEU 114 2HD2 LEU 114 2.665 9.454 -2.166 881 HD23 LEU 114 3HD2 LEU 114 1.521 10.527 -2.969 882 H ARG 115 H ARG 115 4.322 8.804 -0.544 883 HA ARG 115 HA ARG 115 4.067 8.983 2.323 884 HB2 ARG 115 2HB ARG 115 6.306 8.844 1.422 885 HB3 ARG 115 1HB ARG 115 6.043 10.285 0.449 886 HG2 ARG 115 2HG ARG 115 5.915 11.663 2.407 887 HG3 ARG 115 1HG ARG 115 5.959 10.248 3.458 888 HD2 ARG 115 2HD ARG 115 8.213 9.792 2.892 889 HD3 ARG 115 1HD ARG 115 8.180 10.942 1.554 890 HE ARG 115 HE ARG 115 7.594 12.390 3.837 891 HH11 ARG 115 1HH1 ARG 115 10.317 10.499 2.653 892 HH12 ARG 115 2HH1 ARG 115 11.483 11.447 3.518 893 HH21 ARG 115 1HH2 ARG 115 9.131 13.623 4.928 894 HH22 ARG 115 2HH2 ARG 115 10.811 13.229 4.802 895 H THR 116 H THR 116 2.543 10.184 3.123 896 HA THR 116 HA THR 116 1.388 12.429 1.859 897 HB THR 116 HB THR 116 1.259 11.734 4.804 898 HG1 THR 116 1HG THR 116 -0.099 10.140 4.307 899 HG21 THR 116 1HG2 THR 116 -0.686 13.151 2.968 900 HG22 THR 116 2HG2 THR 116 0.315 13.919 4.199 901 HG23 THR 116 3HG2 THR 116 -0.956 12.792 4.674 902 H GLU 117 H GLU 117 3.646 12.090 4.596 903 HA GLU 117 HA GLU 117 4.576 14.811 4.082 904 HB2 GLU 117 2HB GLU 117 3.810 13.739 6.800 905 HB3 GLU 117 1HB GLU 117 4.734 15.208 6.545 906 HG2 GLU 117 2HG GLU 117 2.842 16.142 5.276 907 HG3 GLU 117 1HG GLU 117 1.917 14.686 5.639 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 16.945 15.353 3.152 2 H2 GLY 1 2HT GLY 1 17.458 16.180 1.777 3 H3 GLY 1 3HT GLY 1 16.092 16.712 2.623 4 HA2 GLY 1 1HA GLY 1 17.935 18.139 3.122 5 HA3 GLY 1 2HA GLY 1 17.476 17.214 4.546 6 H SER 2 H SER 2 18.927 15.852 5.453 7 HA SER 2 HA SER 2 21.639 16.030 4.475 8 HB2 SER 2 2HB SER 2 20.514 14.676 6.937 9 HB3 SER 2 1HB SER 2 22.227 14.931 6.597 10 HG SER 2 HG SER 2 21.086 17.272 6.318 11 H HIS 3 H HIS 3 22.993 13.968 4.498 12 HA HIS 3 HA HIS 3 21.727 12.098 2.696 13 HB2 HIS 3 2HB HIS 3 24.546 12.227 3.782 14 HB3 HIS 3 1HB HIS 3 23.997 11.014 2.637 15 HD1 HIS 3 1HD HIS 3 23.554 11.808 0.195 16 HD2 HIS 3 2HD HIS 3 25.012 14.762 2.725 17 HE1 HIS 3 1HE HIS 3 24.271 13.683 -1.302 18 HE2 HIS 3 2HE HIS 3 25.363 15.343 0.237 19 H MET 4 H MET 4 20.368 11.851 4.966 20 HA MET 4 HA MET 4 21.138 9.188 5.941 21 HB2 MET 4 2HB MET 4 20.260 11.532 7.634 22 HB3 MET 4 1HB MET 4 20.225 9.872 8.204 23 HG2 MET 4 2HG MET 4 22.679 11.369 7.310 24 HG3 MET 4 1HG MET 4 22.200 11.077 8.981 25 HE1 MET 4 1HE MET 4 24.484 9.950 9.638 26 HE2 MET 4 2HE MET 4 25.060 10.362 8.024 27 HE3 MET 4 3HE MET 4 25.285 8.728 8.650 28 H GLU 5 H GLU 5 19.206 8.185 7.133 29 HA GLU 5 HA GLU 5 16.869 8.540 5.465 30 HB2 GLU 5 2HB GLU 5 17.772 6.464 7.420 31 HB3 GLU 5 1HB GLU 5 16.056 6.607 7.083 32 HG2 GLU 5 2HG GLU 5 16.998 4.898 5.694 33 HG3 GLU 5 1HG GLU 5 16.523 6.262 4.688 34 HA PRO 6 HA PRO 6 14.889 11.235 8.397 35 HB2 PRO 6 2HB PRO 6 12.327 10.867 7.430 36 HB3 PRO 6 1HB PRO 6 13.494 12.003 6.743 37 HG2 PRO 6 2HG PRO 6 12.755 9.260 5.824 38 HG3 PRO 6 1HG PRO 6 13.109 10.709 4.868 39 HD2 PRO 6 2HD PRO 6 14.894 8.723 5.177 40 HD3 PRO 6 1HD PRO 6 15.389 10.424 5.045 41 H ALA 7 H ALA 7 14.259 10.758 10.406 42 HA ALA 7 HA ALA 7 13.663 8.052 11.109 43 HB1 ALA 7 1HB ALA 7 13.691 8.825 13.391 44 HB2 ALA 7 2HB ALA 7 13.628 10.503 12.855 45 HB3 ALA 7 3HB ALA 7 15.051 9.519 12.510 46 H ARG 8 H ARG 8 11.765 10.808 10.357 47 HA ARG 8 HA ARG 8 9.345 9.351 11.169 48 HB2 ARG 8 2HB ARG 8 9.889 12.282 11.677 49 HB3 ARG 8 1HB ARG 8 8.338 11.495 11.921 50 HG2 ARG 8 2HG ARG 8 9.175 10.187 13.704 51 HG3 ARG 8 1HG ARG 8 10.843 10.622 13.330 52 HD2 ARG 8 2HD ARG 8 10.391 12.930 13.950 53 HD3 ARG 8 1HD ARG 8 8.707 12.525 14.282 54 HE ARG 8 HE ARG 8 9.778 10.901 15.971 55 HH11 ARG 8 1HH1 ARG 8 11.011 14.101 15.185 56 HH12 ARG 8 2HH1 ARG 8 11.728 14.340 16.742 57 HH21 ARG 8 1HH2 ARG 8 10.723 11.236 18.042 58 HH22 ARG 8 2HH2 ARG 8 11.553 12.718 18.372 59 H VAL 9 H VAL 9 8.181 9.003 9.384 60 HA VAL 9 HA VAL 9 8.023 11.186 7.418 61 HB VAL 9 HB VAL 9 7.886 9.571 5.587 62 HG11 VAL 9 1HG1 VAL 9 10.346 9.213 7.284 63 HG12 VAL 9 2HG1 VAL 9 10.055 10.505 6.120 64 HG13 VAL 9 3HG1 VAL 9 10.223 8.839 5.565 65 HG21 VAL 9 1HG2 VAL 9 6.962 7.674 6.797 66 HG22 VAL 9 2HG2 VAL 9 8.472 7.489 7.690 67 HG23 VAL 9 3HG2 VAL 9 8.437 7.207 5.949 68 H ARG 10 H ARG 10 6.090 11.199 6.113 69 HA ARG 10 HA ARG 10 3.822 9.905 7.465 70 HB2 ARG 10 2HB ARG 10 3.686 12.278 7.839 71 HB3 ARG 10 1HB ARG 10 3.993 12.616 6.144 72 HG2 ARG 10 2HG ARG 10 1.850 11.724 5.523 73 HG3 ARG 10 1HG ARG 10 1.546 11.203 7.181 74 HD2 ARG 10 2HD ARG 10 2.054 14.074 6.459 75 HD3 ARG 10 1HD ARG 10 0.440 13.367 6.421 76 HE ARG 10 HE ARG 10 1.043 12.753 8.865 77 HH11 ARG 10 1HH1 ARG 10 1.984 15.729 7.232 78 HH12 ARG 10 2HH1 ARG 10 1.915 16.677 8.679 79 HH21 ARG 10 1HH2 ARG 10 0.966 14.022 10.767 80 HH22 ARG 10 2HH2 ARG 10 1.331 15.707 10.691 81 H CYS 11 H CYS 11 2.970 8.361 6.267 82 HA CYS 11 HA CYS 11 2.764 8.747 3.381 83 HB2 CYS 11 2HB CYS 11 3.916 6.234 4.605 84 HB3 CYS 11 1HB CYS 11 3.673 6.550 2.893 85 HG CYS 11 HG CYS 11 5.505 8.960 4.080 86 H SER 12 H SER 12 1.265 7.366 2.362 87 HA SER 12 HA SER 12 -0.761 6.234 4.162 88 HB2 SER 12 2HB SER 12 -1.080 7.126 1.283 89 HB3 SER 12 1HB SER 12 -2.367 6.668 2.402 90 HG SER 12 HG SER 12 -0.830 8.614 3.461 91 H HIS 13 H HIS 13 -1.798 4.196 3.352 92 HA HIS 13 HA HIS 13 -0.111 2.721 1.474 93 HB2 HIS 13 2HB HIS 13 0.313 0.868 2.969 94 HB3 HIS 13 1HB HIS 13 0.910 2.353 3.694 95 HD1 HIS 13 1HD HIS 13 -0.175 -0.489 5.019 96 HD2 HIS 13 2HD HIS 13 -1.899 3.292 5.182 97 HE1 HIS 13 1HE HIS 13 -1.649 -0.502 7.048 98 HE2 HIS 13 2HE HIS 13 -2.611 1.816 7.185 99 H LEU 14 H LEU 14 -1.050 1.095 0.400 100 HA LEU 14 HA LEU 14 -3.844 0.386 1.051 101 HB2 LEU 14 2HB LEU 14 -3.661 1.814 -0.984 102 HB3 LEU 14 1HB LEU 14 -2.579 0.633 -1.691 103 HG LEU 14 HG LEU 14 -4.476 -1.035 -1.542 104 HD11 LEU 14 1HD1 LEU 14 -6.088 1.448 -1.055 105 HD12 LEU 14 2HD1 LEU 14 -5.799 0.163 0.119 106 HD13 LEU 14 3HD1 LEU 14 -6.722 -0.171 -1.345 107 HD21 LEU 14 1HD2 LEU 14 -3.886 -0.056 -3.651 108 HD22 LEU 14 2HD2 LEU 14 -4.788 1.411 -3.272 109 HD23 LEU 14 3HD2 LEU 14 -5.643 -0.112 -3.523 110 H LEU 15 H LEU 15 -4.342 -1.829 0.875 111 HA LEU 15 HA LEU 15 -2.221 -3.596 -0.074 112 HB2 LEU 15 2HB LEU 15 -1.780 -3.517 2.273 113 HB3 LEU 15 1HB LEU 15 -3.472 -3.762 2.661 114 HG LEU 15 HG LEU 15 -3.327 -6.059 1.717 115 HD11 LEU 15 1HD1 LEU 15 -0.386 -5.461 1.498 116 HD12 LEU 15 2HD1 LEU 15 -1.502 -5.727 0.159 117 HD13 LEU 15 3HD1 LEU 15 -1.138 -7.040 1.279 118 HD21 LEU 15 1HD2 LEU 15 -3.059 -5.716 4.105 119 HD22 LEU 15 2HD2 LEU 15 -1.331 -5.440 3.887 120 HD23 LEU 15 3HD2 LEU 15 -2.020 -7.027 3.545 121 H VAL 16 H VAL 16 -2.898 -5.302 -1.134 122 HA VAL 16 HA VAL 16 -5.681 -6.160 -0.848 123 HB VAL 16 HB VAL 16 -5.432 -4.850 -2.956 124 HG11 VAL 16 1HG1 VAL 16 -3.088 -5.304 -3.418 125 HG12 VAL 16 2HG1 VAL 16 -4.097 -5.716 -4.805 126 HG13 VAL 16 3HG1 VAL 16 -3.470 -6.991 -3.759 127 HG21 VAL 16 1HG2 VAL 16 -7.097 -6.615 -2.856 128 HG22 VAL 16 2HG2 VAL 16 -5.900 -7.802 -3.373 129 HG23 VAL 16 3HG2 VAL 16 -6.403 -6.521 -4.475 130 H LYS 17 H LYS 17 -5.952 -8.378 -0.842 131 HA LYS 17 HA LYS 17 -3.566 -9.924 -0.356 132 HB2 LYS 17 2HB LYS 17 -6.485 -10.695 -0.318 133 HB3 LYS 17 1HB LYS 17 -5.172 -11.777 0.105 134 HG2 LYS 17 2HG LYS 17 -4.584 -10.411 1.998 135 HG3 LYS 17 1HG LYS 17 -5.781 -9.196 1.534 136 HD2 LYS 17 2HD LYS 17 -7.580 -10.749 1.920 137 HD3 LYS 17 1HD LYS 17 -6.441 -12.061 2.207 138 HE2 LYS 17 2HE LYS 17 -6.673 -9.578 3.902 139 HE3 LYS 17 1HE LYS 17 -7.418 -11.129 4.284 140 HZ1 LYS 17 1HZ LYS 17 -4.514 -10.559 4.073 141 HZ2 LYS 17 2HZ LYS 17 -5.168 -12.105 4.291 142 HZ3 LYS 17 3HZ LYS 17 -5.377 -10.919 5.479 143 H HIS 18 H HIS 18 -3.762 -12.301 -1.266 144 HA HIS 18 HA HIS 18 -4.642 -12.389 -4.003 145 HB2 HIS 18 2HB HIS 18 -2.437 -13.061 -4.917 146 HB3 HIS 18 1HB HIS 18 -2.432 -11.411 -4.322 147 HD1 HIS 18 1HD HIS 18 -0.169 -13.948 -4.541 148 HD2 HIS 18 2HD HIS 18 -1.517 -11.759 -1.293 149 HE1 HIS 18 1HE HIS 18 1.643 -14.123 -2.821 150 HE2 HIS 18 2HE HIS 18 0.667 -13.045 -0.772 151 H SER 19 H SER 19 -4.180 -14.598 -4.951 152 HA SER 19 HA SER 19 -5.500 -16.482 -3.423 153 HB2 SER 19 2HB SER 19 -4.750 -18.115 -5.174 154 HB3 SER 19 1HB SER 19 -5.504 -16.651 -5.801 155 HG SER 19 HG SER 19 -3.317 -17.526 -6.656 156 H GLN 20 H GLN 20 -2.010 -16.089 -3.819 157 HA GLN 20 HA GLN 20 -1.541 -18.439 -2.163 158 HB2 GLN 20 2HB GLN 20 0.388 -16.600 -3.583 159 HB3 GLN 20 1HB GLN 20 0.872 -17.984 -2.615 160 HG2 GLN 20 2HG GLN 20 -0.864 -18.122 -5.071 161 HG3 GLN 20 1HG GLN 20 0.869 -18.439 -5.037 162 HE21 GLN 20 1HE2 GLN 20 -2.274 -19.602 -4.149 163 HE22 GLN 20 2HE2 GLN 20 -1.795 -21.213 -3.752 164 H SER 21 H SER 21 -2.403 -17.642 -0.209 165 HA SER 21 HA SER 21 -0.454 -16.257 1.370 166 HB2 SER 21 2HB SER 21 -1.913 -14.456 0.211 167 HB3 SER 21 1HB SER 21 -3.196 -15.001 1.293 168 HG SER 21 HG SER 21 -0.681 -13.876 1.970 169 H ARG 22 H ARG 22 -1.398 -16.016 3.699 170 HA ARG 22 HA ARG 22 -2.281 -18.649 4.385 171 HB2 ARG 22 2HB ARG 22 -2.053 -17.910 6.738 172 HB3 ARG 22 1HB ARG 22 -0.612 -17.623 5.782 173 HG2 ARG 22 2HG ARG 22 -0.766 -15.680 6.999 174 HG3 ARG 22 1HG ARG 22 -1.602 -15.223 5.514 175 HD2 ARG 22 2HD ARG 22 -3.748 -15.731 6.594 176 HD3 ARG 22 1HD ARG 22 -2.892 -16.141 8.079 177 HE ARG 22 HE ARG 22 -2.249 -13.520 7.180 178 HH11 ARG 22 1HH1 ARG 22 -4.717 -15.386 8.839 179 HH12 ARG 22 2HH1 ARG 22 -5.317 -14.043 9.747 180 HH21 ARG 22 1HH2 ARG 22 -3.045 -11.721 8.370 181 HH22 ARG 22 2HH2 ARG 22 -4.356 -11.941 9.475 182 H ARG 23 H ARG 23 -3.898 -15.627 3.955 183 HA ARG 23 HA ARG 23 -6.426 -16.947 4.386 184 HB2 ARG 23 2HB ARG 23 -5.760 -16.125 6.668 185 HB3 ARG 23 1HB ARG 23 -5.791 -14.489 6.031 186 HG2 ARG 23 2HG ARG 23 -7.842 -14.804 7.147 187 HG3 ARG 23 1HG ARG 23 -8.208 -14.904 5.423 188 HD2 ARG 23 2HD ARG 23 -9.374 -16.655 6.652 189 HD3 ARG 23 1HD ARG 23 -8.173 -17.356 5.567 190 HE ARG 23 HE ARG 23 -6.762 -17.246 7.794 191 HH11 ARG 23 1HH1 ARG 23 -10.082 -18.310 7.342 192 HH12 ARG 23 2HH1 ARG 23 -10.052 -19.372 8.704 193 HH21 ARG 23 1HH2 ARG 23 -6.731 -18.657 9.588 194 HH22 ARG 23 2HH2 ARG 23 -8.145 -19.568 9.988 195 HA PRO 24 HA PRO 24 -6.567 -13.865 0.979 196 HB2 PRO 24 2HB PRO 24 -8.428 -15.821 -0.181 197 HB3 PRO 24 1HB PRO 24 -6.934 -15.171 -0.856 198 HG2 PRO 24 2HG PRO 24 -7.121 -17.723 -0.022 199 HG3 PRO 24 1HG PRO 24 -5.621 -16.790 0.137 200 HD2 PRO 24 2HD PRO 24 -7.698 -17.404 2.206 201 HD3 PRO 24 1HD PRO 24 -5.926 -17.441 2.344 202 H SER 25 H SER 25 -8.819 -15.280 3.085 203 HA SER 25 HA SER 25 -11.203 -14.027 2.192 204 HB2 SER 25 2HB SER 25 -10.545 -14.970 4.985 205 HB3 SER 25 1HB SER 25 -12.144 -14.802 4.258 206 HG SER 25 HG SER 25 -11.916 -16.677 3.336 207 H SER 26 H SER 26 -12.089 -12.073 2.760 208 HA SER 26 HA SER 26 -10.698 -10.458 4.750 209 HB2 SER 26 2HB SER 26 -10.698 -8.500 3.224 210 HB3 SER 26 1HB SER 26 -9.683 -9.812 2.624 211 HG SER 26 HG SER 26 -11.699 -10.427 1.423 212 H TRP 27 H TRP 27 -11.987 -8.300 5.009 213 HA TRP 27 HA TRP 27 -14.693 -9.043 5.603 214 HB2 TRP 27 2HB TRP 27 -14.887 -6.767 6.555 215 HB3 TRP 27 1HB TRP 27 -13.488 -7.632 7.175 216 HD1 TRP 27 HD TRP 27 -11.055 -6.869 6.031 217 HE1 TRP 27 1HE TRP 27 -10.279 -4.526 5.308 218 HE3 TRP 27 3HE TRP 27 -15.618 -4.595 5.669 219 HZ2 TRP 27 2HZ TRP 27 -11.451 -2.039 4.673 220 HZ3 TRP 27 3HZ TRP 27 -15.702 -2.227 5.001 221 HH2 TRP 27 HH TRP 27 -13.660 -0.979 4.515 222 H ARG 28 H ARG 28 -13.106 -7.591 2.967 223 HA ARG 28 HA ARG 28 -15.567 -6.375 1.970 224 HB2 ARG 28 2HB ARG 28 -12.757 -6.330 0.863 225 HB3 ARG 28 1HB ARG 28 -14.134 -5.530 0.122 226 HG2 ARG 28 2HG ARG 28 -14.388 -4.146 2.143 227 HG3 ARG 28 1HG ARG 28 -12.959 -4.922 2.826 228 HD2 ARG 28 2HD ARG 28 -13.054 -3.304 0.281 229 HD3 ARG 28 1HD ARG 28 -12.407 -2.762 1.827 230 HE ARG 28 HE ARG 28 -10.641 -4.357 1.594 231 HH11 ARG 28 1HH1 ARG 28 -12.566 -3.806 -1.290 232 HH12 ARG 28 2HH1 ARG 28 -11.376 -4.444 -2.371 233 HH21 ARG 28 1HH2 ARG 28 -9.041 -5.204 0.136 234 HH22 ARG 28 2HH2 ARG 28 -9.373 -5.227 -1.563 235 H GLN 29 H GLN 29 -13.120 -8.737 0.954 236 HA GLN 29 HA GLN 29 -15.093 -9.846 -0.920 237 HB2 GLN 29 2HB GLN 29 -12.077 -9.986 -0.938 238 HB3 GLN 29 1HB GLN 29 -13.107 -10.892 -2.036 239 HG2 GLN 29 2HG GLN 29 -13.033 -7.891 -1.826 240 HG3 GLN 29 1HG GLN 29 -12.177 -8.846 -3.037 241 HE21 GLN 29 1HE2 GLN 29 -14.267 -6.812 -3.340 242 HE22 GLN 29 2HE2 GLN 29 -15.536 -7.582 -4.223 243 H GLU 30 H GLU 30 -15.629 -11.964 -0.804 244 HA GLU 30 HA GLU 30 -15.579 -13.294 1.617 245 HB2 GLU 30 2HB GLU 30 -17.099 -13.767 -0.320 246 HB3 GLU 30 1HB GLU 30 -15.765 -14.603 -1.101 247 HG2 GLU 30 2HG GLU 30 -17.176 -16.225 -0.090 248 HG3 GLU 30 1HG GLU 30 -15.678 -16.150 0.837 249 H LYS 31 H LYS 31 -13.691 -14.113 -1.272 250 HA LYS 31 HA LYS 31 -11.377 -14.695 0.344 251 HB2 LYS 31 2HB LYS 31 -12.708 -16.831 0.326 252 HB3 LYS 31 1HB LYS 31 -12.541 -16.854 -1.423 253 HG2 LYS 31 2HG LYS 31 -10.128 -17.035 -1.219 254 HG3 LYS 31 1HG LYS 31 -10.255 -16.937 0.537 255 HD2 LYS 31 2HD LYS 31 -9.984 -19.246 -0.083 256 HD3 LYS 31 1HD LYS 31 -11.635 -19.009 0.493 257 HE2 LYS 31 2HE LYS 31 -12.405 -18.859 -1.839 258 HE3 LYS 31 1HE LYS 31 -10.756 -19.136 -2.391 259 HZ1 LYS 31 1HZ LYS 31 -12.446 -21.023 -0.845 260 HZ2 LYS 31 2HZ LYS 31 -10.822 -21.289 -1.228 261 HZ3 LYS 31 3HZ LYS 31 -11.970 -21.179 -2.461 262 H ILE 32 H ILE 32 -10.165 -13.254 -0.701 263 HA ILE 32 HA ILE 32 -10.330 -12.633 -3.428 264 HB ILE 32 HB ILE 32 -8.019 -12.224 -1.506 265 HG12 ILE 32 2HG1 ILE 32 -10.266 -10.376 -2.345 266 HG13 ILE 32 1HG1 ILE 32 -10.142 -11.188 -0.792 267 HG21 ILE 32 1HG2 ILE 32 -7.265 -10.493 -3.045 268 HG22 ILE 32 2HG2 ILE 32 -8.593 -10.878 -4.139 269 HG23 ILE 32 3HG2 ILE 32 -7.316 -12.063 -3.851 270 HD11 ILE 32 1HD1 ILE 32 -8.220 -9.890 -0.205 271 HD12 ILE 32 2HD1 ILE 32 -9.489 -8.799 -0.758 272 HD13 ILE 32 3HD1 ILE 32 -8.140 -9.194 -1.823 273 H THR 33 H THR 33 -10.070 -14.150 -4.928 274 HA THR 33 HA THR 33 -8.022 -16.202 -4.556 275 HB THR 33 HB THR 33 -10.081 -16.237 -6.751 276 HG1 THR 33 1HG THR 33 -10.693 -16.042 -4.200 277 HG21 THR 33 1HG2 THR 33 -8.763 -18.413 -5.108 278 HG22 THR 33 2HG2 THR 33 -8.291 -17.939 -6.739 279 HG23 THR 33 3HG2 THR 33 -9.875 -18.663 -6.454 280 H ARG 34 H ARG 34 -8.235 -13.251 -6.019 281 HA ARG 34 HA ARG 34 -7.103 -13.787 -8.555 282 HB2 ARG 34 2HB ARG 34 -6.509 -11.390 -8.619 283 HB3 ARG 34 1HB ARG 34 -8.180 -11.661 -8.159 284 HG2 ARG 34 2HG ARG 34 -7.609 -11.262 -5.829 285 HG3 ARG 34 1HG ARG 34 -5.923 -11.002 -6.284 286 HD2 ARG 34 2HD ARG 34 -7.219 -8.901 -5.961 287 HD3 ARG 34 1HD ARG 34 -6.506 -9.062 -7.565 288 HE ARG 34 HE ARG 34 -8.801 -9.867 -8.251 289 HH11 ARG 34 1HH1 ARG 34 -8.368 -7.608 -5.598 290 HH12 ARG 34 2HH1 ARG 34 -9.911 -6.861 -5.822 291 HH21 ARG 34 1HH2 ARG 34 -10.835 -8.864 -8.549 292 HH22 ARG 34 2HH2 ARG 34 -11.310 -7.568 -7.509 293 H THR 35 H THR 35 -5.104 -14.203 -9.182 294 HA THR 35 HA THR 35 -3.162 -14.730 -7.146 295 HB THR 35 HB THR 35 -3.515 -16.299 -9.040 296 HG1 THR 35 1HG THR 35 -1.298 -16.688 -9.372 297 HG21 THR 35 1HG2 THR 35 -2.243 -14.103 -10.682 298 HG22 THR 35 2HG2 THR 35 -3.894 -14.707 -10.837 299 HG23 THR 35 3HG2 THR 35 -2.532 -15.752 -11.239 300 H LYS 36 H LYS 36 -0.779 -14.258 -8.076 301 HA LYS 36 HA LYS 36 -0.154 -11.672 -7.384 302 HB2 LYS 36 2HB LYS 36 1.462 -13.463 -7.374 303 HB3 LYS 36 1HB LYS 36 1.373 -13.609 -9.121 304 HG2 LYS 36 2HG LYS 36 2.344 -11.355 -9.327 305 HG3 LYS 36 1HG LYS 36 2.484 -11.281 -7.567 306 HD2 LYS 36 2HD LYS 36 3.936 -13.235 -7.588 307 HD3 LYS 36 1HD LYS 36 3.770 -13.357 -9.337 308 HE2 LYS 36 2HE LYS 36 4.819 -11.146 -9.573 309 HE3 LYS 36 1HE LYS 36 5.007 -11.062 -7.821 310 HZ1 LYS 36 1HZ LYS 36 6.268 -13.060 -9.624 311 HZ2 LYS 36 2HZ LYS 36 6.398 -13.059 -7.945 312 HZ3 LYS 36 3HZ LYS 36 7.051 -11.783 -8.834 313 H GLU 37 H GLU 37 -0.343 -12.987 -10.709 314 HA GLU 37 HA GLU 37 0.315 -10.596 -12.019 315 HB2 GLU 37 2HB GLU 37 0.420 -12.694 -13.197 316 HB3 GLU 37 1HB GLU 37 -1.301 -12.960 -12.972 317 HG2 GLU 37 2HG GLU 37 -1.802 -11.071 -14.414 318 HG3 GLU 37 1HG GLU 37 -0.081 -10.745 -14.603 319 H GLU 38 H GLU 38 -2.840 -11.943 -11.149 320 HA GLU 38 HA GLU 38 -4.467 -10.005 -12.344 321 HB2 GLU 38 2HB GLU 38 -4.933 -11.597 -9.822 322 HB3 GLU 38 1HB GLU 38 -6.174 -10.696 -10.680 323 HG2 GLU 38 2HG GLU 38 -4.621 -13.031 -11.764 324 HG3 GLU 38 1HG GLU 38 -6.275 -13.082 -11.157 325 H ALA 39 H ALA 39 -3.007 -10.139 -9.131 326 HA ALA 39 HA ALA 39 -4.177 -7.702 -8.239 327 HB1 ALA 39 1HB ALA 39 -2.690 -7.915 -6.323 328 HB2 ALA 39 2HB ALA 39 -1.788 -9.186 -7.148 329 HB3 ALA 39 3HB ALA 39 -3.467 -9.456 -6.683 330 H LEU 40 H LEU 40 -1.117 -8.574 -9.741 331 HA LEU 40 HA LEU 40 0.256 -6.171 -9.304 332 HB2 LEU 40 2HB LEU 40 1.245 -8.335 -10.096 333 HB3 LEU 40 1HB LEU 40 0.554 -8.027 -11.671 334 HG LEU 40 HG LEU 40 3.047 -7.527 -11.325 335 HD11 LEU 40 1HD1 LEU 40 1.282 -5.361 -12.447 336 HD12 LEU 40 2HD1 LEU 40 1.824 -6.805 -13.300 337 HD13 LEU 40 3HD1 LEU 40 2.995 -5.587 -12.797 338 HD21 LEU 40 1HD2 LEU 40 3.617 -5.370 -10.393 339 HD22 LEU 40 2HD2 LEU 40 2.780 -6.341 -9.180 340 HD23 LEU 40 3HD2 LEU 40 1.923 -5.051 -10.024 341 H GLU 41 H GLU 41 -1.693 -7.189 -12.126 342 HA GLU 41 HA GLU 41 -1.396 -4.711 -13.464 343 HB2 GLU 41 2HB GLU 41 -3.281 -5.443 -14.882 344 HB3 GLU 41 1HB GLU 41 -2.044 -6.678 -14.718 345 HG2 GLU 41 2HG GLU 41 -3.390 -7.953 -13.244 346 HG3 GLU 41 1HG GLU 41 -4.551 -6.637 -13.067 347 H LEU 42 H LEU 42 -3.643 -5.903 -11.083 348 HA LEU 42 HA LEU 42 -5.576 -3.868 -11.245 349 HB2 LEU 42 2HB LEU 42 -5.952 -5.961 -10.058 350 HB3 LEU 42 1HB LEU 42 -4.696 -5.556 -8.907 351 HG LEU 42 HG LEU 42 -6.070 -3.613 -8.181 352 HD11 LEU 42 1HD1 LEU 42 -8.165 -4.900 -9.920 353 HD12 LEU 42 2HD1 LEU 42 -7.413 -3.325 -10.179 354 HD13 LEU 42 3HD1 LEU 42 -8.444 -3.589 -8.773 355 HD21 LEU 42 1HD2 LEU 42 -6.051 -5.707 -6.935 356 HD22 LEU 42 2HD2 LEU 42 -7.362 -6.326 -7.941 357 HD23 LEU 42 3HD2 LEU 42 -7.641 -4.948 -6.875 358 H ILE 43 H ILE 43 -2.694 -4.241 -9.217 359 HA ILE 43 HA ILE 43 -2.878 -1.841 -7.793 360 HB ILE 43 HB ILE 43 -0.436 -3.425 -8.621 361 HG12 ILE 43 2HG1 ILE 43 -1.970 -4.651 -7.169 362 HG13 ILE 43 1HG1 ILE 43 -0.492 -4.256 -6.304 363 HG21 ILE 43 1HG2 ILE 43 -0.635 -1.145 -6.663 364 HG22 ILE 43 2HG2 ILE 43 0.295 -1.184 -8.161 365 HG23 ILE 43 3HG2 ILE 43 0.751 -2.221 -6.809 366 HD11 ILE 43 1HD1 ILE 43 -3.137 -2.840 -6.049 367 HD12 ILE 43 2HD1 ILE 43 -1.654 -2.399 -5.203 368 HD13 ILE 43 3HD1 ILE 43 -2.420 -3.953 -4.885 369 H ASN 44 H ASN 44 -1.215 -2.584 -10.833 370 HA ASN 44 HA ASN 44 -0.184 -0.017 -11.297 371 HB2 ASN 44 2HB ASN 44 -0.761 -2.376 -13.027 372 HB3 ASN 44 1HB ASN 44 -0.446 -0.832 -13.809 373 HD21 ASN 44 1HD2 ASN 44 0.883 -3.376 -11.848 374 HD22 ASN 44 2HD2 ASN 44 2.539 -2.906 -12.024 375 H GLY 45 H GLY 45 -3.323 -1.408 -11.916 376 HA2 GLY 45 2HA GLY 45 -4.373 0.592 -13.575 377 HA3 GLY 45 1HA GLY 45 -5.314 -0.459 -12.526 378 H TYR 46 H TYR 46 -4.267 0.315 -10.045 379 HA TYR 46 HA TYR 46 -5.730 2.707 -9.577 380 HB2 TYR 46 2HB TYR 46 -3.809 1.185 -7.801 381 HB3 TYR 46 1HB TYR 46 -4.758 2.567 -7.264 382 HD1 TYR 46 1HD TYR 46 -4.631 -0.846 -7.110 383 HD2 TYR 46 2HD TYR 46 -7.391 2.253 -8.039 384 HE1 TYR 46 1HE TYR 46 -6.497 -2.351 -6.568 385 HE2 TYR 46 2HE TYR 46 -9.265 0.755 -7.500 386 HH TYR 46 HH TYR 46 -8.836 -2.199 -5.885 387 H ILE 47 H ILE 47 -2.313 1.917 -9.812 388 HA ILE 47 HA ILE 47 -1.191 4.379 -9.186 389 HB ILE 47 HB ILE 47 -0.273 2.290 -11.177 390 HG12 ILE 47 2HG1 ILE 47 0.601 2.881 -8.339 391 HG13 ILE 47 1HG1 ILE 47 -0.417 1.536 -8.840 392 HG21 ILE 47 1HG2 ILE 47 1.268 4.644 -10.093 393 HG22 ILE 47 2HG2 ILE 47 0.748 4.406 -11.760 394 HG23 ILE 47 3HG2 ILE 47 1.948 3.328 -11.049 395 HD11 ILE 47 1HD1 ILE 47 2.451 1.979 -9.642 396 HD12 ILE 47 2HD1 ILE 47 1.437 0.630 -10.154 397 HD13 ILE 47 3HD1 ILE 47 1.866 0.815 -8.454 398 H GLN 48 H GLN 48 -2.423 3.177 -12.287 399 HA GLN 48 HA GLN 48 -1.782 5.420 -13.853 400 HB2 GLN 48 2HB GLN 48 -4.106 3.507 -14.158 401 HB3 GLN 48 1HB GLN 48 -3.535 4.618 -15.393 402 HG2 GLN 48 2HG GLN 48 -1.988 2.311 -14.233 403 HG3 GLN 48 1HG GLN 48 -2.771 2.351 -15.810 404 HE21 GLN 48 1HE2 GLN 48 -0.095 3.442 -13.917 405 HE22 GLN 48 2HE2 GLN 48 0.830 4.082 -15.230 406 H LYS 49 H LYS 49 -4.727 4.581 -12.085 407 HA LYS 49 HA LYS 49 -6.282 6.799 -12.768 408 HB2 LYS 49 2HB LYS 49 -6.307 5.149 -10.238 409 HB3 LYS 49 1HB LYS 49 -7.570 6.277 -10.711 410 HG2 LYS 49 2HG LYS 49 -8.146 4.956 -12.604 411 HG3 LYS 49 1HG LYS 49 -6.743 3.913 -12.369 412 HD2 LYS 49 2HD LYS 49 -7.671 3.110 -10.269 413 HD3 LYS 49 1HD LYS 49 -9.047 4.201 -10.443 414 HE2 LYS 49 2HE LYS 49 -9.630 1.922 -11.113 415 HE3 LYS 49 1HE LYS 49 -9.725 3.038 -12.473 416 HZ1 LYS 49 1HZ LYS 49 -7.502 1.155 -11.913 417 HZ2 LYS 49 2HZ LYS 49 -7.542 2.255 -13.195 418 HZ3 LYS 49 3HZ LYS 49 -8.663 0.995 -13.132 419 H ILE 50 H ILE 50 -3.911 6.377 -10.200 420 HA ILE 50 HA ILE 50 -4.478 8.810 -8.850 421 HB ILE 50 HB ILE 50 -1.972 7.115 -8.823 422 HG12 ILE 50 2HG1 ILE 50 -4.244 7.285 -6.832 423 HG13 ILE 50 1HG1 ILE 50 -4.065 6.013 -8.033 424 HG21 ILE 50 1HG2 ILE 50 -2.809 9.339 -6.960 425 HG22 ILE 50 2HG2 ILE 50 -1.474 9.394 -8.112 426 HG23 ILE 50 3HG2 ILE 50 -1.410 8.287 -6.740 427 HD11 ILE 50 1HD1 ILE 50 -2.155 6.611 -5.788 428 HD12 ILE 50 2HD1 ILE 50 -1.955 5.345 -6.998 429 HD13 ILE 50 3HD1 ILE 50 -3.302 5.273 -5.863 430 H LYS 51 H LYS 51 -1.891 7.905 -11.143 431 HA LYS 51 HA LYS 51 -0.780 10.526 -11.180 432 HB2 LYS 51 2HB LYS 51 -0.409 8.247 -13.128 433 HB3 LYS 51 1HB LYS 51 0.547 9.722 -13.114 434 HG2 LYS 51 2HG LYS 51 1.185 9.131 -10.739 435 HG3 LYS 51 1HG LYS 51 0.459 7.552 -11.037 436 HD2 LYS 51 2HD LYS 51 2.714 8.778 -12.632 437 HD3 LYS 51 1HD LYS 51 2.898 7.541 -11.391 438 HE2 LYS 51 2HE LYS 51 1.479 6.032 -12.738 439 HE3 LYS 51 1HE LYS 51 1.387 7.270 -13.989 440 HZ1 LYS 51 1HZ LYS 51 3.783 7.137 -14.254 441 HZ2 LYS 51 2HZ LYS 51 3.087 5.623 -14.488 442 HZ3 LYS 51 3HZ LYS 51 3.884 5.967 -13.041 443 H SER 52 H SER 52 -3.313 8.980 -12.976 444 HA SER 52 HA SER 52 -3.382 10.900 -15.086 445 HB2 SER 52 2HB SER 52 -4.290 8.614 -15.356 446 HB3 SER 52 1HB SER 52 -5.526 8.968 -14.152 447 HG SER 52 HG SER 52 -5.335 10.736 -16.284 448 H GLY 53 H GLY 53 -4.330 10.961 -11.839 449 HA2 GLY 53 2HA GLY 53 -5.255 12.714 -10.643 450 HA3 GLY 53 1HA GLY 53 -5.536 13.558 -12.161 451 H GLU 54 H GLU 54 -6.650 10.343 -11.990 452 HA GLU 54 HA GLU 54 -9.387 11.268 -12.148 453 HB2 GLU 54 2HB GLU 54 -8.647 9.540 -13.709 454 HB3 GLU 54 1HB GLU 54 -8.207 8.491 -12.370 455 HG2 GLU 54 2HG GLU 54 -10.550 8.350 -11.698 456 HG3 GLU 54 1HG GLU 54 -10.997 9.421 -13.024 457 H GLU 55 H GLU 55 -7.602 8.888 -10.204 458 HA GLU 55 HA GLU 55 -9.636 9.250 -8.119 459 HB2 GLU 55 2HB GLU 55 -7.936 6.836 -8.729 460 HB3 GLU 55 1HB GLU 55 -8.987 6.984 -7.330 461 HG2 GLU 55 2HG GLU 55 -9.872 7.047 -10.204 462 HG3 GLU 55 1HG GLU 55 -10.021 5.679 -9.104 463 H ASP 56 H ASP 56 -8.960 9.189 -5.955 464 HA ASP 56 HA ASP 56 -6.233 10.198 -5.577 465 HB2 ASP 56 2HB ASP 56 -7.908 11.772 -4.864 466 HB3 ASP 56 1HB ASP 56 -8.757 10.532 -3.949 467 H PHE 57 H PHE 57 -4.916 9.332 -3.942 468 HA PHE 57 HA PHE 57 -5.160 6.552 -3.609 469 HB2 PHE 57 2HB PHE 57 -2.999 7.807 -3.609 470 HB3 PHE 57 1HB PHE 57 -3.390 8.391 -1.995 471 HD1 PHE 57 1HD PHE 57 -2.455 5.471 -3.987 472 HD2 PHE 57 2HD PHE 57 -3.257 6.936 -0.080 473 HE1 PHE 57 1HE PHE 57 -1.479 3.436 -3.029 474 HE2 PHE 57 2HE PHE 57 -2.277 4.900 0.884 475 HZ PHE 57 HZ PHE 57 -1.387 3.147 -0.590 476 H GLU 58 H GLU 58 -5.798 9.225 -1.352 477 HA GLU 58 HA GLU 58 -6.302 7.666 0.934 478 HB2 GLU 58 2HB GLU 58 -7.502 10.314 0.122 479 HB3 GLU 58 1HB GLU 58 -7.619 9.609 1.725 480 HG2 GLU 58 2HG GLU 58 -5.224 9.779 2.005 481 HG3 GLU 58 1HG GLU 58 -5.059 10.405 0.363 482 H SER 59 H SER 59 -8.391 8.786 -1.660 483 HA SER 59 HA SER 59 -10.817 7.798 -0.656 484 HB2 SER 59 2HB SER 59 -10.682 9.437 -2.486 485 HB3 SER 59 1HB SER 59 -9.966 8.213 -3.532 486 HG SER 59 HG SER 59 -12.140 8.316 -3.961 487 H LEU 60 H LEU 60 -8.443 6.356 -2.873 488 HA LEU 60 HA LEU 60 -9.834 3.938 -3.291 489 HB2 LEU 60 2HB LEU 60 -6.872 4.499 -3.438 490 HB3 LEU 60 1HB LEU 60 -7.651 3.055 -4.053 491 HG LEU 60 HG LEU 60 -8.144 5.856 -5.066 492 HD11 LEU 60 1HD1 LEU 60 -6.572 3.585 -6.267 493 HD12 LEU 60 2HD1 LEU 60 -5.910 5.086 -5.621 494 HD13 LEU 60 3HD1 LEU 60 -6.932 5.120 -7.057 495 HD21 LEU 60 1HD2 LEU 60 -10.101 4.439 -5.329 496 HD22 LEU 60 2HD2 LEU 60 -9.113 3.177 -6.063 497 HD23 LEU 60 3HD2 LEU 60 -9.335 4.717 -6.893 498 H ALA 61 H ALA 61 -7.429 4.913 -0.906 499 HA ALA 61 HA ALA 61 -7.116 2.356 0.283 500 HB1 ALA 61 1HB ALA 61 -5.448 4.134 0.509 501 HB2 ALA 61 2HB ALA 61 -5.979 3.533 2.079 502 HB3 ALA 61 3HB ALA 61 -6.587 5.074 1.472 503 H SER 62 H SER 62 -9.526 4.785 0.577 504 HA SER 62 HA SER 62 -10.499 3.728 3.102 505 HB2 SER 62 2HB SER 62 -11.603 5.933 1.351 506 HB3 SER 62 1HB SER 62 -12.162 5.527 2.973 507 HG SER 62 HG SER 62 -9.594 6.496 2.220 508 H GLN 63 H GLN 63 -10.648 2.622 0.079 509 HA GLN 63 HA GLN 63 -13.387 1.595 0.423 510 HB2 GLN 63 2HB GLN 63 -12.130 2.576 -2.136 511 HB3 GLN 63 1HB GLN 63 -13.622 1.655 -2.070 512 HG2 GLN 63 2HG GLN 63 -14.709 3.415 -0.844 513 HG3 GLN 63 1HG GLN 63 -13.197 4.315 -0.731 514 HE21 GLN 63 1HE2 GLN 63 -12.413 5.369 -2.527 515 HE22 GLN 63 2HE2 GLN 63 -13.375 5.668 -3.932 516 H PHE 64 H PHE 64 -10.335 1.081 -1.373 517 HA PHE 64 HA PHE 64 -11.075 -1.751 -1.619 518 HB2 PHE 64 2HB PHE 64 -9.040 -0.179 -3.201 519 HB3 PHE 64 1HB PHE 64 -9.526 -1.845 -3.496 520 HD1 PHE 64 1HD PHE 64 -11.972 -2.276 -4.082 521 HD2 PHE 64 2HD PHE 64 -10.183 1.585 -4.194 522 HE1 PHE 64 1HE PHE 64 -13.776 -1.484 -5.552 523 HE2 PHE 64 2HE PHE 64 -11.984 2.383 -5.665 524 HZ PHE 64 HZ PHE 64 -13.785 0.846 -6.344 525 H SER 65 H SER 65 -9.704 -0.440 0.747 526 HA SER 65 HA SER 65 -7.147 -1.845 0.646 527 HB2 SER 65 2HB SER 65 -7.242 0.497 1.546 528 HB3 SER 65 1HB SER 65 -8.213 -0.114 2.883 529 HG SER 65 HG SER 65 -6.349 -0.470 3.775 530 H ASP 66 H ASP 66 -6.744 -3.673 1.710 531 HA ASP 66 HA ASP 66 -8.928 -5.101 2.901 532 HB2 ASP 66 2HB ASP 66 -7.332 -6.354 1.613 533 HB3 ASP 66 1HB ASP 66 -5.996 -5.762 2.595 534 H CYS 67 H CYS 67 -6.099 -3.399 4.044 535 HA CYS 67 HA CYS 67 -6.210 -4.283 6.736 536 HB2 CYS 67 2HB CYS 67 -5.007 -1.742 5.630 537 HB3 CYS 67 1HB CYS 67 -4.638 -2.478 7.183 538 HG CYS 67 HG CYS 67 -3.687 -4.871 5.813 539 H SER 68 H SER 68 -6.460 -2.623 8.548 540 HA SER 68 HA SER 68 -9.108 -1.567 8.465 541 HB2 SER 68 2HB SER 68 -8.010 -2.570 10.504 542 HB3 SER 68 1HB SER 68 -6.993 -1.134 10.592 543 HG SER 68 HG SER 68 -9.552 -1.493 11.408 544 H SER 69 H SER 69 -6.358 -0.446 7.143 545 HA SER 69 HA SER 69 -6.210 2.252 7.830 546 HB2 SER 69 2HB SER 69 -5.140 2.470 5.539 547 HB3 SER 69 1HB SER 69 -4.408 1.282 6.611 548 HG SER 69 HG SER 69 -5.078 0.797 4.240 549 H ALA 70 H ALA 70 -8.464 0.497 5.893 550 HA ALA 70 HA ALA 70 -9.479 2.588 4.311 551 HB1 ALA 70 1HB ALA 70 -11.443 1.165 4.009 552 HB2 ALA 70 2HB ALA 70 -10.923 0.147 5.350 553 HB3 ALA 70 3HB ALA 70 -9.961 0.218 3.875 554 H LYS 71 H LYS 71 -9.758 1.882 7.636 555 HA LYS 71 HA LYS 71 -12.060 3.667 7.975 556 HB2 LYS 71 2HB LYS 71 -10.718 1.843 9.982 557 HB3 LYS 71 1HB LYS 71 -12.201 2.752 10.235 558 HG2 LYS 71 2HG LYS 71 -13.356 1.415 8.600 559 HG3 LYS 71 1HG LYS 71 -11.863 0.572 8.184 560 HD2 LYS 71 2HD LYS 71 -11.742 -0.323 10.463 561 HD3 LYS 71 1HD LYS 71 -13.238 0.517 10.871 562 HE2 LYS 71 2HE LYS 71 -12.957 -1.596 8.733 563 HE3 LYS 71 1HE LYS 71 -13.588 -1.873 10.355 564 HZ1 LYS 71 1HZ LYS 71 -14.772 -0.116 8.277 565 HZ2 LYS 71 2HZ LYS 71 -15.340 -0.237 9.856 566 HZ3 LYS 71 3HZ LYS 71 -15.401 -1.581 8.837 567 H ALA 72 H ALA 72 -8.893 3.971 7.670 568 HA ALA 72 HA ALA 72 -8.672 6.082 9.705 569 HB1 ALA 72 1HB ALA 72 -6.321 5.514 10.014 570 HB2 ALA 72 2HB ALA 72 -6.479 4.191 8.860 571 HB3 ALA 72 3HB ALA 72 -7.352 4.134 10.391 572 H ARG 73 H ARG 73 -9.344 5.973 6.765 573 HA ARG 73 HA ARG 73 -9.120 7.379 4.995 574 HB2 ARG 73 2HB ARG 73 -8.692 9.127 6.723 575 HB3 ARG 73 1HB ARG 73 -6.975 8.784 6.603 576 HG2 ARG 73 2HG ARG 73 -7.508 10.770 5.358 577 HG3 ARG 73 1HG ARG 73 -7.026 9.485 4.246 578 HD2 ARG 73 2HD ARG 73 -9.364 9.023 3.752 579 HD3 ARG 73 1HD ARG 73 -9.863 10.267 4.899 580 HE ARG 73 HE ARG 73 -8.151 11.454 3.056 581 HH11 ARG 73 1HH1 ARG 73 -11.309 9.906 3.083 582 HH12 ARG 73 2HH1 ARG 73 -11.920 10.828 1.755 583 HH21 ARG 73 1HH2 ARG 73 -8.981 12.685 1.280 584 HH22 ARG 73 2HH2 ARG 73 -10.598 12.412 0.737 585 H GLY 74 H GLY 74 -6.660 5.412 6.099 586 HA2 GLY 74 2HA GLY 74 -5.269 4.144 4.669 587 HA3 GLY 74 1HA GLY 74 -5.402 5.410 3.460 588 H ASP 75 H ASP 75 -4.928 7.157 6.032 589 HA ASP 75 HA ASP 75 -2.096 7.481 5.498 590 HB2 ASP 75 2HB ASP 75 -3.356 9.499 5.509 591 HB3 ASP 75 1HB ASP 75 -4.112 9.104 7.047 592 H LEU 76 H LEU 76 -0.466 7.152 6.907 593 HA LEU 76 HA LEU 76 -1.114 5.693 9.371 594 HB2 LEU 76 2HB LEU 76 1.395 5.889 7.723 595 HB3 LEU 76 1HB LEU 76 1.342 5.115 9.292 596 HG LEU 76 HG LEU 76 -0.336 4.241 6.948 597 HD11 LEU 76 1HD1 LEU 76 2.307 3.178 7.937 598 HD12 LEU 76 2HD1 LEU 76 2.007 3.972 6.391 599 HD13 LEU 76 3HD1 LEU 76 1.282 2.402 6.731 600 HD21 LEU 76 1HD2 LEU 76 -1.219 3.617 9.137 601 HD22 LEU 76 2HD2 LEU 76 0.341 2.927 9.581 602 HD23 LEU 76 3HD2 LEU 76 -0.605 2.203 8.281 603 H GLY 77 H GLY 77 -0.302 8.756 8.358 604 HA2 GLY 77 2HA GLY 77 0.280 10.624 9.552 605 HA3 GLY 77 1HA GLY 77 0.258 9.641 11.014 606 H ALA 78 H ALA 78 2.160 10.386 11.870 607 HA ALA 78 HA ALA 78 4.573 10.159 10.253 608 HB1 ALA 78 1HB ALA 78 5.692 11.278 12.117 609 HB2 ALA 78 2HB ALA 78 4.206 11.207 13.063 610 HB3 ALA 78 3HB ALA 78 4.272 12.188 11.600 611 H PHE 79 H PHE 79 5.726 8.359 10.286 612 HA PHE 79 HA PHE 79 5.796 6.806 12.761 613 HB2 PHE 79 2HB PHE 79 5.635 4.688 11.501 614 HB3 PHE 79 1HB PHE 79 4.180 5.656 11.354 615 HD1 PHE 79 1HD PHE 79 6.947 4.113 9.612 616 HD2 PHE 79 2HD PHE 79 3.693 6.829 9.224 617 HE1 PHE 79 1HE PHE 79 7.081 3.918 7.165 618 HE2 PHE 79 2HE PHE 79 3.825 6.640 6.776 619 HZ PHE 79 HZ PHE 79 5.518 5.181 5.744 620 H SER 80 H SER 80 7.619 5.473 13.014 621 HA SER 80 HA SER 80 9.961 6.555 11.686 622 HB2 SER 80 2HB SER 80 9.798 6.380 14.204 623 HB3 SER 80 1HB SER 80 9.861 4.628 14.018 624 HG SER 80 HG SER 80 11.836 6.561 13.489 625 H ARG 81 H ARG 81 11.769 4.709 11.569 626 HA ARG 81 HA ARG 81 11.005 3.149 9.341 627 HB2 ARG 81 2HB ARG 81 13.502 2.922 11.023 628 HB3 ARG 81 1HB ARG 81 13.275 2.236 9.420 629 HG2 ARG 81 2HG ARG 81 13.009 4.504 8.507 630 HG3 ARG 81 1HG ARG 81 13.300 5.165 10.117 631 HD2 ARG 81 2HD ARG 81 15.349 5.269 8.888 632 HD3 ARG 81 1HD ARG 81 15.501 4.011 10.114 633 HE ARG 81 HE ARG 81 14.736 3.223 7.402 634 HH11 ARG 81 1HH1 ARG 81 17.165 3.297 9.935 635 HH12 ARG 81 2HH1 ARG 81 18.177 2.119 9.175 636 HH21 ARG 81 1HH2 ARG 81 16.071 1.670 6.391 637 HH22 ARG 81 2HH2 ARG 81 17.550 1.188 7.147 638 H GLY 82 H GLY 82 11.900 2.164 12.647 639 HA2 GLY 82 2HA GLY 82 11.258 -0.591 12.086 640 HA3 GLY 82 1HA GLY 82 11.764 0.069 13.633 641 H GLN 83 H GLN 83 9.017 0.696 11.488 642 HA GLN 83 HA GLN 83 7.224 -0.032 13.710 643 HB2 GLN 83 2HB GLN 83 6.926 2.271 11.778 644 HB3 GLN 83 1HB GLN 83 5.648 1.726 12.854 645 HG2 GLN 83 2HG GLN 83 8.342 2.753 13.729 646 HG3 GLN 83 1HG GLN 83 6.846 3.684 13.718 647 HE21 GLN 83 1HE2 GLN 83 5.217 1.442 14.592 648 HE22 GLN 83 2HE2 GLN 83 5.561 1.215 16.267 649 H MET 84 H MET 84 8.023 -0.298 10.391 650 HA MET 84 HA MET 84 5.649 -1.973 9.971 651 HB2 MET 84 2HB MET 84 6.912 -0.013 8.062 652 HB3 MET 84 1HB MET 84 5.826 -1.288 7.527 653 HG2 MET 84 2HG MET 84 5.147 0.899 9.480 654 HG3 MET 84 1HG MET 84 4.668 0.839 7.784 655 HE1 MET 84 1HE MET 84 2.697 1.203 10.326 656 HE2 MET 84 2HE MET 84 1.344 0.183 9.835 657 HE3 MET 84 3HE MET 84 2.127 1.234 8.657 658 H GLN 85 H GLN 85 6.078 -3.346 7.861 659 HA GLN 85 HA GLN 85 8.237 -5.066 8.503 660 HB2 GLN 85 2HB GLN 85 6.426 -4.945 6.094 661 HB3 GLN 85 1HB GLN 85 7.602 -6.222 6.365 662 HG2 GLN 85 2HG GLN 85 5.267 -5.556 8.146 663 HG3 GLN 85 1HG GLN 85 5.376 -6.918 7.032 664 HE21 GLN 85 1HE2 GLN 85 6.426 -5.601 10.068 665 HE22 GLN 85 2HE2 GLN 85 7.148 -7.051 10.670 666 H LYS 86 H LYS 86 10.071 -5.603 7.203 667 HA LYS 86 HA LYS 86 11.630 -3.449 6.500 668 HB2 LYS 86 2HB LYS 86 11.881 -6.345 5.776 669 HB3 LYS 86 1HB LYS 86 13.062 -5.165 5.227 670 HG2 LYS 86 2HG LYS 86 12.348 -5.672 8.109 671 HG3 LYS 86 1HG LYS 86 13.752 -6.340 7.276 672 HD2 LYS 86 2HD LYS 86 14.641 -4.128 6.905 673 HD3 LYS 86 1HD LYS 86 13.190 -3.388 7.578 674 HE2 LYS 86 2HE LYS 86 13.689 -4.445 9.744 675 HE3 LYS 86 1HE LYS 86 15.169 -5.111 9.057 676 HZ1 LYS 86 1HZ LYS 86 14.568 -2.210 9.155 677 HZ2 LYS 86 2HZ LYS 86 16.045 -2.941 8.759 678 HZ3 LYS 86 3HZ LYS 86 15.462 -3.020 10.341 679 HA PRO 87 HA PRO 87 10.682 -4.267 1.704 680 HB2 PRO 87 2HB PRO 87 7.937 -4.861 1.493 681 HB3 PRO 87 1HB PRO 87 9.269 -5.975 1.169 682 HG2 PRO 87 2HG PRO 87 7.607 -5.667 3.628 683 HG3 PRO 87 1HG PRO 87 8.283 -7.138 2.904 684 HD2 PRO 87 2HD PRO 87 9.372 -6.060 5.084 685 HD3 PRO 87 1HD PRO 87 10.393 -6.758 3.807 686 H PHE 88 H PHE 88 8.198 -3.269 4.013 687 HA PHE 88 HA PHE 88 7.316 -1.019 2.461 688 HB2 PHE 88 2HB PHE 88 5.903 -2.301 4.135 689 HB3 PHE 88 1HB PHE 88 6.861 -1.558 5.408 690 HD1 PHE 88 1HD PHE 88 4.097 -1.185 3.158 691 HD2 PHE 88 2HD PHE 88 6.790 0.957 5.659 692 HE1 PHE 88 1HE PHE 88 2.560 0.734 3.164 693 HE2 PHE 88 2HE PHE 88 5.258 2.881 5.668 694 HZ PHE 88 HZ PHE 88 3.140 2.770 4.420 695 H GLU 89 H GLU 89 9.268 -1.519 5.359 696 HA GLU 89 HA GLU 89 9.876 1.072 6.104 697 HB2 GLU 89 2HB GLU 89 10.437 -0.962 7.395 698 HB3 GLU 89 1HB GLU 89 11.681 -1.350 6.218 699 HG2 GLU 89 2HG GLU 89 12.767 0.839 6.811 700 HG3 GLU 89 1HG GLU 89 11.622 0.951 8.145 701 H ASP 90 H ASP 90 11.724 -1.032 3.918 702 HA ASP 90 HA ASP 90 13.729 0.854 3.339 703 HB2 ASP 90 2HB ASP 90 14.053 -1.518 2.912 704 HB3 ASP 90 1HB ASP 90 12.775 -1.496 1.700 705 H ALA 91 H ALA 91 10.767 0.018 1.600 706 HA ALA 91 HA ALA 91 11.265 1.702 -0.613 707 HB1 ALA 91 1HB ALA 91 9.768 -0.206 -0.740 708 HB2 ALA 91 2HB ALA 91 8.945 1.278 -1.222 709 HB3 ALA 91 3HB ALA 91 8.655 0.584 0.374 710 H ALA 92 H ALA 92 9.161 2.166 2.230 711 HA ALA 92 HA ALA 92 8.049 4.611 1.425 712 HB1 ALA 92 1HB ALA 92 7.367 4.894 3.734 713 HB2 ALA 92 2HB ALA 92 8.510 3.652 4.246 714 HB3 ALA 92 3HB ALA 92 7.136 3.219 3.229 715 H PHE 93 H PHE 93 10.984 3.949 3.264 716 HA PHE 93 HA PHE 93 11.414 6.767 3.701 717 HB2 PHE 93 2HB PHE 93 12.999 4.338 4.501 718 HB3 PHE 93 1HB PHE 93 13.517 5.986 4.851 719 HD1 PHE 93 1HD PHE 93 10.886 3.480 5.494 720 HD2 PHE 93 2HD PHE 93 12.537 7.233 6.601 721 HE1 PHE 93 1HE PHE 93 9.464 3.506 7.495 722 HE2 PHE 93 2HE PHE 93 11.118 7.265 8.609 723 HZ PHE 93 HZ PHE 93 9.578 5.402 9.056 724 H ALA 94 H ALA 94 12.310 4.454 1.340 725 HA ALA 94 HA ALA 94 14.628 5.850 0.386 726 HB1 ALA 94 1HB ALA 94 14.453 4.393 -1.568 727 HB2 ALA 94 2HB ALA 94 12.861 3.855 -1.037 728 HB3 ALA 94 3HB ALA 94 14.288 3.462 -0.080 729 H LEU 95 H LEU 95 11.219 6.043 -0.039 730 HA LEU 95 HA LEU 95 11.181 7.615 -2.411 731 HB2 LEU 95 2HB LEU 95 9.149 7.332 -0.205 732 HB3 LEU 95 1HB LEU 95 8.860 8.142 -1.725 733 HG LEU 95 HG LEU 95 9.434 5.206 -1.371 734 HD11 LEU 95 1HD1 LEU 95 6.909 6.720 -2.002 735 HD12 LEU 95 2HD1 LEU 95 7.251 5.786 -0.544 736 HD13 LEU 95 3HD1 LEU 95 7.080 4.971 -2.098 737 HD21 LEU 95 1HD2 LEU 95 8.854 5.043 -3.756 738 HD22 LEU 95 2HD2 LEU 95 10.297 6.022 -3.499 739 HD23 LEU 95 3HD2 LEU 95 8.752 6.802 -3.844 740 H ARG 96 H ARG 96 10.112 9.820 -2.313 741 HA ARG 96 HA ARG 96 11.051 11.374 -0.022 742 HB2 ARG 96 2HB ARG 96 11.337 12.078 -2.948 743 HB3 ARG 96 1HB ARG 96 11.567 13.231 -1.641 744 HG2 ARG 96 2HG ARG 96 13.182 10.737 -2.136 745 HG3 ARG 96 1HG ARG 96 13.703 12.404 -2.400 746 HD2 ARG 96 2HD ARG 96 13.404 12.842 0.007 747 HD3 ARG 96 1HD ARG 96 12.966 11.156 0.242 748 HE ARG 96 HE ARG 96 15.622 12.123 -0.573 749 HH11 ARG 96 1HH1 ARG 96 13.566 9.592 0.750 750 HH12 ARG 96 2HH1 ARG 96 14.884 8.706 1.432 751 HH21 ARG 96 1HH2 ARG 96 17.359 10.951 0.325 752 HH22 ARG 96 2HH2 ARG 96 17.055 9.480 1.183 753 H THR 97 H THR 97 10.056 13.685 -0.281 754 HA THR 97 HA THR 97 7.329 13.465 0.167 755 HB THR 97 HB THR 97 8.959 15.901 -0.582 756 HG1 THR 97 1HG THR 97 8.427 14.524 1.841 757 HG21 THR 97 1HG2 THR 97 6.259 15.701 0.770 758 HG22 THR 97 2HG2 THR 97 6.570 16.354 -0.837 759 HG23 THR 97 3HG2 THR 97 7.198 17.182 0.587 760 H GLY 98 H GLY 98 5.929 12.754 -1.349 761 HA2 GLY 98 2HA GLY 98 4.451 13.478 -3.099 762 HA3 GLY 98 1HA GLY 98 5.815 14.270 -3.865 763 H GLU 99 H GLU 99 6.842 11.287 -2.770 764 HA GLU 99 HA GLU 99 6.577 10.236 -5.492 765 HB2 GLU 99 2HB GLU 99 8.463 9.384 -3.300 766 HB3 GLU 99 1HB GLU 99 8.434 8.736 -4.931 767 HG2 GLU 99 2HG GLU 99 8.803 11.199 -5.639 768 HG3 GLU 99 1HG GLU 99 9.336 11.408 -3.972 769 H MET 100 H MET 100 6.368 7.894 -5.755 770 HA MET 100 HA MET 100 4.838 6.576 -3.633 771 HB2 MET 100 2HB MET 100 3.194 7.556 -5.155 772 HB3 MET 100 1HB MET 100 3.989 6.799 -6.527 773 HG2 MET 100 2HG MET 100 3.385 4.607 -5.721 774 HG3 MET 100 1HG MET 100 2.685 5.307 -4.262 775 HE1 MET 100 1HE MET 100 2.423 5.114 -8.183 776 HE2 MET 100 2HE MET 100 2.392 6.850 -7.875 777 HE3 MET 100 3HE MET 100 0.950 6.037 -8.479 778 H SER 101 H SER 101 5.454 4.527 -3.327 779 HA SER 101 HA SER 101 7.664 3.483 -4.818 780 HB2 SER 101 2HB SER 101 7.464 3.114 -2.390 781 HB3 SER 101 1HB SER 101 5.994 2.178 -2.656 782 HG SER 101 HG SER 101 7.204 0.637 -3.727 783 H GLY 102 H GLY 102 4.227 2.988 -4.856 784 HA2 GLY 102 2HA GLY 102 3.006 1.983 -6.560 785 HA3 GLY 102 1HA GLY 102 4.507 1.353 -7.228 786 HA PRO 103 HA PRO 103 2.696 -2.332 -5.387 787 HB2 PRO 103 2HB PRO 103 3.752 -4.109 -7.092 788 HB3 PRO 103 1HB PRO 103 2.405 -3.066 -7.554 789 HG2 PRO 103 2HG PRO 103 5.286 -2.867 -8.269 790 HG3 PRO 103 1HG PRO 103 3.858 -2.438 -9.225 791 HD2 PRO 103 2HD PRO 103 5.488 -0.659 -7.785 792 HD3 PRO 103 1HD PRO 103 3.880 -0.306 -8.447 793 H VAL 104 H VAL 104 3.647 -2.726 -3.456 794 HA VAL 104 HA VAL 104 6.386 -3.806 -3.441 795 HB VAL 104 HB VAL 104 4.730 -2.784 -1.113 796 HG11 VAL 104 1HG1 VAL 104 7.622 -3.641 -1.230 797 HG12 VAL 104 2HG1 VAL 104 6.309 -4.514 -0.439 798 HG13 VAL 104 3HG1 VAL 104 6.812 -2.937 0.171 799 HG21 VAL 104 1HG2 VAL 104 5.385 -0.974 -2.606 800 HG22 VAL 104 2HG2 VAL 104 7.063 -1.513 -2.545 801 HG23 VAL 104 3HG2 VAL 104 6.285 -0.886 -1.093 802 H PHE 105 H PHE 105 6.475 -5.951 -3.445 803 HA PHE 105 HA PHE 105 4.134 -7.531 -2.859 804 HB2 PHE 105 2HB PHE 105 6.917 -8.367 -3.685 805 HB3 PHE 105 1HB PHE 105 5.530 -9.441 -3.569 806 HD1 PHE 105 1HD PHE 105 7.123 -6.778 -5.496 807 HD2 PHE 105 2HD PHE 105 3.763 -9.373 -5.221 808 HE1 PHE 105 1HE PHE 105 6.546 -6.266 -7.829 809 HE2 PHE 105 2HE PHE 105 3.179 -8.865 -7.557 810 HZ PHE 105 HZ PHE 105 4.573 -7.311 -8.863 811 H THR 106 H THR 106 3.765 -8.829 -1.174 812 HA THR 106 HA THR 106 5.877 -9.406 0.764 813 HB THR 106 HB THR 106 4.291 -8.898 2.658 814 HG1 THR 106 1HG THR 106 2.762 -7.985 0.487 815 HG21 THR 106 1HG2 THR 106 5.056 -6.537 0.933 816 HG22 THR 106 2HG2 THR 106 6.087 -7.327 2.127 817 HG23 THR 106 3HG2 THR 106 4.639 -6.461 2.644 818 H ASP 107 H ASP 107 4.249 -10.669 2.657 819 HA ASP 107 HA ASP 107 3.532 -13.069 1.226 820 HB2 ASP 107 2HB ASP 107 3.445 -12.372 4.166 821 HB3 ASP 107 1HB ASP 107 2.984 -13.942 3.522 822 H SER 108 H SER 108 1.852 -10.601 3.112 823 HA SER 108 HA SER 108 -0.717 -11.756 2.984 824 HB2 SER 108 2HB SER 108 -0.045 -8.816 3.223 825 HB3 SER 108 1HB SER 108 -1.524 -9.615 3.756 826 HG SER 108 HG SER 108 -0.123 -9.285 5.497 827 H GLY 109 H GLY 109 0.949 -9.391 0.954 828 HA2 GLY 109 2HA GLY 109 -0.183 -10.104 -1.438 829 HA3 GLY 109 1HA GLY 109 -1.281 -8.915 -0.751 830 H ILE 110 H ILE 110 -0.899 -7.299 -2.183 831 HA ILE 110 HA ILE 110 1.870 -6.331 -2.352 832 HB ILE 110 HB ILE 110 -0.432 -5.716 -4.221 833 HG12 ILE 110 2HG1 ILE 110 1.948 -7.542 -4.639 834 HG13 ILE 110 1HG1 ILE 110 0.309 -8.089 -4.308 835 HG21 ILE 110 1HG2 ILE 110 2.514 -5.076 -4.373 836 HG22 ILE 110 2HG2 ILE 110 1.194 -3.926 -4.164 837 HG23 ILE 110 3HG2 ILE 110 1.359 -4.815 -5.678 838 HD11 ILE 110 1HD1 ILE 110 1.204 -6.537 -6.726 839 HD12 ILE 110 2HD1 ILE 110 -0.445 -7.074 -6.395 840 HD13 ILE 110 3HD1 ILE 110 0.832 -8.260 -6.664 841 H HIS 111 H HIS 111 2.366 -4.446 -1.461 842 HA HIS 111 HA HIS 111 0.177 -2.789 -0.380 843 HB2 HIS 111 2HB HIS 111 3.115 -2.827 0.375 844 HB3 HIS 111 1HB HIS 111 1.895 -1.797 1.099 845 HD1 HIS 111 1HD HIS 111 0.828 -2.693 3.179 846 HD2 HIS 111 2HD HIS 111 2.658 -5.667 0.929 847 HE1 HIS 111 1HE HIS 111 0.753 -4.751 4.600 848 HE2 HIS 111 2HE HIS 111 2.128 -6.427 3.340 849 H ILE 112 H ILE 112 -0.095 -0.754 -1.126 850 HA ILE 112 HA ILE 112 1.953 0.293 -2.958 851 HB ILE 112 HB ILE 112 -0.828 1.415 -2.524 852 HG12 ILE 112 2HG1 ILE 112 0.162 -0.470 -4.676 853 HG13 ILE 112 1HG1 ILE 112 -1.057 -0.821 -3.455 854 HG21 ILE 112 1HG2 ILE 112 1.243 1.898 -4.668 855 HG22 ILE 112 2HG2 ILE 112 0.768 3.024 -3.396 856 HG23 ILE 112 3HG2 ILE 112 -0.383 2.579 -4.658 857 HD11 ILE 112 1HD1 ILE 112 -1.276 1.091 -5.765 858 HD12 ILE 112 2HD1 ILE 112 -2.450 1.002 -4.460 859 HD13 ILE 112 3HD1 ILE 112 -2.191 -0.395 -5.504 860 H ILE 113 H ILE 113 3.211 1.912 -2.299 861 HA ILE 113 HA ILE 113 2.509 3.191 0.254 862 HB ILE 113 HB ILE 113 5.262 2.953 -0.967 863 HG12 ILE 113 2HG1 ILE 113 4.034 1.359 1.294 864 HG13 ILE 113 1HG1 ILE 113 4.313 0.749 -0.335 865 HG21 ILE 113 1HG2 ILE 113 4.354 3.813 1.780 866 HG22 ILE 113 2HG2 ILE 113 5.006 4.864 0.522 867 HG23 ILE 113 3HG2 ILE 113 6.030 3.634 1.262 868 HD11 ILE 113 1HD1 ILE 113 6.420 1.656 1.608 869 HD12 ILE 113 2HD1 ILE 113 6.712 1.080 -0.032 870 HD13 ILE 113 3HD1 ILE 113 6.032 -0.010 1.176 871 H LEU 114 H LEU 114 1.758 5.144 0.030 872 HA LEU 114 HA LEU 114 2.836 6.873 -2.091 873 HB2 LEU 114 2HB LEU 114 0.386 6.352 -2.204 874 HB3 LEU 114 1HB LEU 114 0.188 7.075 -0.625 875 HG LEU 114 HG LEU 114 -0.536 8.481 -2.600 876 HD11 LEU 114 1HD1 LEU 114 1.536 9.661 -0.775 877 HD12 LEU 114 2HD1 LEU 114 -0.184 9.473 -0.428 878 HD13 LEU 114 3HD1 LEU 114 0.345 10.564 -1.708 879 HD21 LEU 114 1HD2 LEU 114 1.307 7.948 -4.104 880 HD22 LEU 114 2HD2 LEU 114 2.438 8.756 -3.015 881 HD23 LEU 114 3HD2 LEU 114 1.184 9.686 -3.836 882 H ARG 115 H ARG 115 4.272 8.286 -1.319 883 HA ARG 115 HA ARG 115 4.131 8.976 1.518 884 HB2 ARG 115 2HB ARG 115 6.252 8.066 0.789 885 HB3 ARG 115 1HB ARG 115 6.371 9.278 -0.479 886 HG2 ARG 115 2HG ARG 115 6.664 11.026 1.115 887 HG3 ARG 115 1HG ARG 115 6.294 9.936 2.453 888 HD2 ARG 115 2HD ARG 115 8.292 8.667 2.029 889 HD3 ARG 115 1HD ARG 115 8.632 9.620 0.584 890 HE ARG 115 HE ARG 115 8.541 11.493 2.529 891 HH11 ARG 115 1HH1 ARG 115 10.225 8.413 2.324 892 HH12 ARG 115 2HH1 ARG 115 11.620 8.972 3.174 893 HH21 ARG 115 1HH2 ARG 115 10.361 12.224 3.670 894 HH22 ARG 115 2HH2 ARG 115 11.704 11.176 3.945 895 H THR 116 H THR 116 3.250 10.825 2.073 896 HA THR 116 HA THR 116 2.874 12.875 0.074 897 HB THR 116 HB THR 116 1.631 14.045 1.960 898 HG1 THR 116 1HG THR 116 1.205 11.763 3.370 899 HG21 THR 116 1HG2 THR 116 0.692 11.291 1.151 900 HG22 THR 116 2HG2 THR 116 0.477 12.771 0.217 901 HG23 THR 116 3HG2 THR 116 -0.329 12.586 1.774 902 H GLU 117 H GLU 117 4.486 12.464 3.204 903 HA GLU 117 HA GLU 117 6.183 14.767 2.558 904 HB2 GLU 117 2HB GLU 117 4.898 14.162 5.220 905 HB3 GLU 117 1HB GLU 117 6.196 15.324 5.005 906 HG2 GLU 117 2HG GLU 117 4.817 16.691 3.602 907 HG3 GLU 117 1HG GLU 117 3.539 15.478 3.609 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 26.320 18.637 3.998 2 H2 GLY 1 2HT GLY 1 24.789 19.172 4.459 3 H3 GLY 1 3HT GLY 1 25.893 20.257 3.785 4 HA2 GLY 1 1HA GLY 1 24.245 19.668 2.155 5 HA3 GLY 1 2HA GLY 1 25.831 19.074 1.690 6 H SER 2 H SER 2 25.733 16.929 3.732 7 HA SER 2 HA SER 2 24.737 14.862 2.152 8 HB2 SER 2 2HB SER 2 25.160 14.813 5.140 9 HB3 SER 2 1HB SER 2 25.226 13.444 4.031 10 HG SER 2 HG SER 2 27.183 15.106 4.740 11 H HIS 3 H HIS 3 22.720 14.209 1.790 12 HA HIS 3 HA HIS 3 20.570 15.272 3.437 13 HB2 HIS 3 2HB HIS 3 20.490 13.720 0.842 14 HB3 HIS 3 1HB HIS 3 19.074 14.332 1.684 15 HD1 HIS 3 1HD HIS 3 18.627 16.888 1.549 16 HD2 HIS 3 2HD HIS 3 21.974 15.629 -0.562 17 HE1 HIS 3 1HE HIS 3 19.267 18.816 0.093 18 HE2 HIS 3 2HE HIS 3 21.123 17.931 -1.349 19 H MET 4 H MET 4 19.270 14.098 4.716 20 HA MET 4 HA MET 4 19.440 11.189 4.641 21 HB2 MET 4 2HB MET 4 19.728 11.024 7.070 22 HB3 MET 4 1HB MET 4 21.093 11.841 6.327 23 HG2 MET 4 2HG MET 4 20.255 13.984 7.059 24 HG3 MET 4 1HG MET 4 18.809 13.221 7.713 25 HE1 MET 4 1HE MET 4 22.494 11.799 7.918 26 HE2 MET 4 2HE MET 4 23.050 12.551 9.413 27 HE3 MET 4 3HE MET 4 22.699 13.548 8.002 28 H GLU 5 H GLU 5 17.667 10.171 5.784 29 HA GLU 5 HA GLU 5 15.230 11.466 5.202 30 HB2 GLU 5 2HB GLU 5 15.653 9.016 6.916 31 HB3 GLU 5 1HB GLU 5 14.162 9.503 6.123 32 HG2 GLU 5 2HG GLU 5 16.699 8.554 4.819 33 HG3 GLU 5 1HG GLU 5 15.142 7.733 4.861 34 HA PRO 6 HA PRO 6 14.508 13.693 8.964 35 HB2 PRO 6 2HB PRO 6 11.776 13.789 8.882 36 HB3 PRO 6 1HB PRO 6 12.815 14.829 7.902 37 HG2 PRO 6 2HG PRO 6 11.396 12.311 7.147 38 HG3 PRO 6 1HG PRO 6 11.585 13.811 6.220 39 HD2 PRO 6 2HD PRO 6 13.086 11.617 5.741 40 HD3 PRO 6 1HD PRO 6 13.716 13.263 5.528 41 H ALA 7 H ALA 7 13.482 13.429 11.056 42 HA ALA 7 HA ALA 7 13.639 10.767 11.997 43 HB1 ALA 7 1HB ALA 7 14.225 12.706 13.370 44 HB2 ALA 7 2HB ALA 7 13.022 11.687 14.160 45 HB3 ALA 7 3HB ALA 7 12.531 13.197 13.394 46 H ARG 8 H ARG 8 11.011 12.667 10.819 47 HA ARG 8 HA ARG 8 9.175 10.478 11.483 48 HB2 ARG 8 2HB ARG 8 8.686 13.434 11.788 49 HB3 ARG 8 1HB ARG 8 7.378 12.266 11.705 50 HG2 ARG 8 2HG ARG 8 9.576 12.197 13.755 51 HG3 ARG 8 1HG ARG 8 8.000 12.949 14.005 52 HD2 ARG 8 2HD ARG 8 6.918 10.787 13.571 53 HD3 ARG 8 1HD ARG 8 8.503 10.044 13.366 54 HE ARG 8 HE ARG 8 8.841 10.933 15.770 55 HH11 ARG 8 1HH1 ARG 8 5.835 9.609 14.469 56 HH12 ARG 8 2HH1 ARG 8 5.300 9.038 16.009 57 HH21 ARG 8 1HH2 ARG 8 8.098 10.176 17.789 58 HH22 ARG 8 2HH2 ARG 8 6.580 9.351 17.895 59 H VAL 9 H VAL 9 8.613 9.567 9.642 60 HA VAL 9 HA VAL 9 8.024 11.326 7.352 61 HB VAL 9 HB VAL 9 8.410 9.407 5.872 62 HG11 VAL 9 1HG1 VAL 9 10.705 9.973 7.736 63 HG12 VAL 9 2HG1 VAL 9 10.274 10.865 6.275 64 HG13 VAL 9 3HG1 VAL 9 10.851 9.203 6.157 65 HG21 VAL 9 1HG2 VAL 9 7.796 7.601 7.384 66 HG22 VAL 9 2HG2 VAL 9 9.218 7.926 8.375 67 HG23 VAL 9 3HG2 VAL 9 9.409 7.332 6.724 68 H ARG 10 H ARG 10 6.109 11.027 6.258 69 HA ARG 10 HA ARG 10 4.181 9.243 7.570 70 HB2 ARG 10 2HB ARG 10 3.768 11.654 8.050 71 HB3 ARG 10 1HB ARG 10 3.590 11.931 6.324 72 HG2 ARG 10 2HG ARG 10 1.672 10.429 6.271 73 HG3 ARG 10 1HG ARG 10 1.856 10.135 8.001 74 HD2 ARG 10 2HD ARG 10 1.559 12.591 8.359 75 HD3 ARG 10 1HD ARG 10 1.170 12.731 6.643 76 HE ARG 10 HE ARG 10 -0.434 10.746 7.892 77 HH11 ARG 10 1HH1 ARG 10 -0.114 14.227 7.472 78 HH12 ARG 10 2HH1 ARG 10 -1.772 14.549 7.845 79 HH21 ARG 10 1HH2 ARG 10 -2.608 11.181 8.413 80 HH22 ARG 10 2HH2 ARG 10 -3.200 12.812 8.375 81 H CYS 11 H CYS 11 2.987 7.971 6.277 82 HA CYS 11 HA CYS 11 2.877 8.510 3.449 83 HB2 CYS 11 2HB CYS 11 3.735 6.227 2.878 84 HB3 CYS 11 1HB CYS 11 4.953 7.324 3.517 85 HG CYS 11 HG CYS 11 5.059 6.170 6.027 86 H SER 12 H SER 12 1.308 7.368 2.373 87 HA SER 12 HA SER 12 -0.588 5.904 4.069 88 HB2 SER 12 2HB SER 12 -1.119 7.373 1.467 89 HB3 SER 12 1HB SER 12 -2.326 6.632 2.522 90 HG SER 12 HG SER 12 -1.007 8.220 4.078 91 H HIS 13 H HIS 13 -1.636 4.034 2.986 92 HA HIS 13 HA HIS 13 0.005 3.027 0.781 93 HB2 HIS 13 2HB HIS 13 0.426 0.917 1.807 94 HB3 HIS 13 1HB HIS 13 0.911 2.167 2.943 95 HD1 HIS 13 1HD HIS 13 -1.541 -0.608 2.471 96 HD2 HIS 13 2HD HIS 13 -0.632 2.284 5.308 97 HE1 HIS 13 1HE HIS 13 -2.758 -1.306 4.549 98 HE2 HIS 13 2HE HIS 13 -2.134 0.402 6.282 99 H LEU 14 H LEU 14 -0.877 1.561 -0.550 100 HA LEU 14 HA LEU 14 -3.771 1.068 -0.304 101 HB2 LEU 14 2HB LEU 14 -2.535 2.219 -2.379 102 HB3 LEU 14 1HB LEU 14 -2.175 0.559 -2.793 103 HG LEU 14 HG LEU 14 -4.081 1.280 -4.052 104 HD11 LEU 14 1HD1 LEU 14 -5.771 -0.349 -3.406 105 HD12 LEU 14 2HD1 LEU 14 -4.974 -0.558 -1.847 106 HD13 LEU 14 3HD1 LEU 14 -4.144 -1.027 -3.331 107 HD21 LEU 14 1HD2 LEU 14 -4.817 3.115 -2.676 108 HD22 LEU 14 2HD2 LEU 14 -5.335 1.998 -1.415 109 HD23 LEU 14 3HD2 LEU 14 -6.160 2.011 -2.973 110 H LEU 15 H LEU 15 -4.315 -1.008 0.171 111 HA LEU 15 HA LEU 15 -2.198 -3.030 -0.128 112 HB2 LEU 15 2HB LEU 15 -2.691 -2.402 2.225 113 HB3 LEU 15 1HB LEU 15 -4.342 -2.927 1.998 114 HG LEU 15 HG LEU 15 -2.766 -4.501 3.253 115 HD11 LEU 15 1HD1 LEU 15 -4.246 -5.579 0.869 116 HD12 LEU 15 2HD1 LEU 15 -4.933 -5.229 2.455 117 HD13 LEU 15 3HD1 LEU 15 -3.733 -6.509 2.277 118 HD21 LEU 15 1HD2 LEU 15 -0.850 -4.294 1.755 119 HD22 LEU 15 2HD2 LEU 15 -1.782 -5.044 0.458 120 HD23 LEU 15 3HD2 LEU 15 -1.378 -5.969 1.903 121 H VAL 16 H VAL 16 -2.612 -4.650 -1.415 122 HA VAL 16 HA VAL 16 -5.401 -5.455 -1.822 123 HB VAL 16 HB VAL 16 -4.673 -4.305 -3.848 124 HG11 VAL 16 1HG1 VAL 16 -2.273 -4.533 -3.597 125 HG12 VAL 16 2HG1 VAL 16 -2.790 -5.094 -5.188 126 HG13 VAL 16 3HG1 VAL 16 -2.386 -6.261 -3.928 127 HG21 VAL 16 1HG2 VAL 16 -6.125 -6.228 -4.146 128 HG22 VAL 16 2HG2 VAL 16 -4.725 -7.294 -4.241 129 HG23 VAL 16 3HG2 VAL 16 -5.004 -6.089 -5.498 130 H LYS 17 H LYS 17 -5.735 -7.472 -1.181 131 HA LYS 17 HA LYS 17 -3.450 -9.184 -0.627 132 HB2 LYS 17 2HB LYS 17 -6.377 -9.473 0.004 133 HB3 LYS 17 1HB LYS 17 -5.184 -10.705 0.374 134 HG2 LYS 17 2HG LYS 17 -3.991 -9.007 1.766 135 HG3 LYS 17 1HG LYS 17 -5.365 -7.926 1.501 136 HD2 LYS 17 2HD LYS 17 -6.867 -9.556 2.503 137 HD3 LYS 17 1HD LYS 17 -5.527 -10.681 2.718 138 HE2 LYS 17 2HE LYS 17 -4.429 -8.967 4.167 139 HE3 LYS 17 1HE LYS 17 -5.908 -8.011 4.058 140 HZ1 LYS 17 1HZ LYS 17 -5.872 -9.354 6.063 141 HZ2 LYS 17 2HZ LYS 17 -5.694 -10.759 5.147 142 HZ3 LYS 17 3HZ LYS 17 -7.124 -9.862 5.042 143 H HIS 18 H HIS 18 -3.776 -11.566 -1.046 144 HA HIS 18 HA HIS 18 -5.143 -12.103 -3.561 145 HB2 HIS 18 2HB HIS 18 -3.208 -13.321 -4.487 146 HB3 HIS 18 1HB HIS 18 -2.823 -11.630 -4.224 147 HD1 HIS 18 1HD HIS 18 -1.149 -14.636 -4.079 148 HD2 HIS 18 2HD HIS 18 -1.612 -11.582 -1.297 149 HE1 HIS 18 1HE HIS 18 0.784 -14.861 -2.500 150 HE2 HIS 18 2HE HIS 18 0.335 -13.163 -0.692 151 H SER 19 H SER 19 -5.262 -14.493 -3.988 152 HA SER 19 HA SER 19 -6.580 -15.706 -1.878 153 HB2 SER 19 2HB SER 19 -6.328 -17.816 -3.343 154 HB3 SER 19 1HB SER 19 -7.182 -16.425 -4.012 155 HG SER 19 HG SER 19 -5.787 -16.941 -5.577 156 H GLN 20 H GLN 20 -3.215 -16.164 -2.889 157 HA GLN 20 HA GLN 20 -2.829 -18.283 -0.985 158 HB2 GLN 20 2HB GLN 20 -0.839 -16.787 -2.690 159 HB3 GLN 20 1HB GLN 20 -0.427 -18.140 -1.647 160 HG2 GLN 20 2HG GLN 20 -2.254 -18.190 -4.039 161 HG3 GLN 20 1HG GLN 20 -0.650 -18.912 -3.909 162 HE21 GLN 20 1HE2 GLN 20 -0.388 -20.772 -2.674 163 HE22 GLN 20 2HE2 GLN 20 -1.722 -21.769 -2.218 164 H SER 21 H SER 21 -3.490 -17.244 0.906 165 HA SER 21 HA SER 21 -1.318 -15.886 2.248 166 HB2 SER 21 2HB SER 21 -2.738 -14.061 1.274 167 HB3 SER 21 1HB SER 21 -4.110 -14.693 2.182 168 HG SER 21 HG SER 21 -1.676 -13.702 3.267 169 H ARG 22 H ARG 22 -1.953 -15.631 4.643 170 HA ARG 22 HA ARG 22 -2.785 -18.161 5.601 171 HB2 ARG 22 2HB ARG 22 -2.550 -17.157 7.861 172 HB3 ARG 22 1HB ARG 22 -1.145 -16.891 6.845 173 HG2 ARG 22 2HG ARG 22 -1.388 -14.834 7.825 174 HG3 ARG 22 1HG ARG 22 -2.304 -14.604 6.336 175 HD2 ARG 22 2HD ARG 22 -4.373 -15.160 7.578 176 HD3 ARG 22 1HD ARG 22 -3.420 -15.263 9.056 177 HE ARG 22 HE ARG 22 -3.149 -12.763 7.669 178 HH11 ARG 22 1HH1 ARG 22 -5.027 -14.561 10.030 179 HH12 ARG 22 2HH1 ARG 22 -5.654 -13.144 10.799 180 HH21 ARG 22 1HH2 ARG 22 -3.998 -10.878 8.681 181 HH22 ARG 22 2HH2 ARG 22 -5.067 -11.049 10.033 182 H ARG 23 H ARG 23 -4.453 -15.244 4.910 183 HA ARG 23 HA ARG 23 -6.978 -16.538 5.344 184 HB2 ARG 23 2HB ARG 23 -6.523 -15.579 7.593 185 HB3 ARG 23 1HB ARG 23 -6.379 -13.986 6.862 186 HG2 ARG 23 2HG ARG 23 -8.733 -14.246 6.040 187 HG3 ARG 23 1HG ARG 23 -8.842 -15.711 7.014 188 HD2 ARG 23 2HD ARG 23 -8.351 -14.403 9.028 189 HD3 ARG 23 1HD ARG 23 -8.238 -12.942 8.049 190 HE ARG 23 HE ARG 23 -10.721 -14.523 8.281 191 HH11 ARG 23 1HH1 ARG 23 -9.056 -11.419 8.297 192 HH12 ARG 23 2HH1 ARG 23 -10.511 -10.498 8.424 193 HH21 ARG 23 1HH2 ARG 23 -12.652 -13.284 8.466 194 HH22 ARG 23 2HH2 ARG 23 -12.559 -11.560 8.528 195 HA PRO 24 HA PRO 24 -7.112 -13.733 1.787 196 HB2 PRO 24 2HB PRO 24 -8.823 -15.216 0.325 197 HB3 PRO 24 1HB PRO 24 -7.105 -15.615 0.433 198 HG2 PRO 24 2HG PRO 24 -9.425 -16.825 1.874 199 HG3 PRO 24 1HG PRO 24 -8.012 -17.618 1.157 200 HD2 PRO 24 2HD PRO 24 -8.273 -17.081 3.829 201 HD3 PRO 24 1HD PRO 24 -6.711 -17.230 3.000 202 H SER 25 H SER 25 -8.307 -12.713 3.823 203 HA SER 25 HA SER 25 -10.988 -12.070 2.890 204 HB2 SER 25 2HB SER 25 -10.429 -12.807 5.771 205 HB3 SER 25 1HB SER 25 -11.986 -12.360 5.074 206 HG SER 25 HG SER 25 -11.111 -14.333 3.613 207 H SER 26 H SER 26 -11.799 -10.091 3.873 208 HA SER 26 HA SER 26 -9.912 -8.430 5.306 209 HB2 SER 26 2HB SER 26 -9.969 -6.655 3.601 210 HB3 SER 26 1HB SER 26 -9.249 -8.132 2.958 211 HG SER 26 HG SER 26 -10.735 -7.280 1.474 212 H TRP 27 H TRP 27 -11.169 -6.012 4.941 213 HA TRP 27 HA TRP 27 -13.656 -6.411 6.319 214 HB2 TRP 27 2HB TRP 27 -13.708 -4.017 6.583 215 HB3 TRP 27 1HB TRP 27 -12.058 -4.553 6.871 216 HD1 TRP 27 HD TRP 27 -10.370 -4.213 4.608 217 HE1 TRP 27 1HE TRP 27 -10.282 -2.195 3.013 218 HE3 TRP 27 3HE TRP 27 -14.961 -2.194 5.591 219 HZ2 TRP 27 2HZ TRP 27 -11.932 -0.033 2.278 220 HZ3 TRP 27 3HZ TRP 27 -15.627 -0.145 4.401 221 HH2 TRP 27 HH TRP 27 -14.143 0.910 2.780 222 H ARG 28 H ARG 28 -12.810 -6.562 3.155 223 HA ARG 28 HA ARG 28 -15.404 -5.507 2.222 224 HB2 ARG 28 2HB ARG 28 -12.931 -5.977 0.558 225 HB3 ARG 28 1HB ARG 28 -14.425 -5.220 0.034 226 HG2 ARG 28 2HG ARG 28 -13.987 -3.381 1.633 227 HG3 ARG 28 1HG ARG 28 -12.427 -4.128 1.992 228 HD2 ARG 28 2HD ARG 28 -13.376 -3.078 -0.667 229 HD3 ARG 28 1HD ARG 28 -12.106 -2.402 0.350 230 HE ARG 28 HE ARG 28 -11.029 -4.746 -0.086 231 HH11 ARG 28 1HH1 ARG 28 -12.869 -2.847 -2.393 232 HH12 ARG 28 2HH1 ARG 28 -12.009 -3.452 -3.766 233 HH21 ARG 28 1HH2 ARG 28 -9.859 -5.511 -1.912 234 HH22 ARG 28 2HH2 ARG 28 -10.293 -4.927 -3.492 235 H GLN 29 H GLN 29 -12.977 -8.003 1.559 236 HA GLN 29 HA GLN 29 -15.036 -9.614 0.244 237 HB2 GLN 29 2HB GLN 29 -12.030 -9.863 0.230 238 HB3 GLN 29 1HB GLN 29 -13.142 -10.871 -0.685 239 HG2 GLN 29 2HG GLN 29 -13.805 -9.042 -2.051 240 HG3 GLN 29 1HG GLN 29 -12.964 -7.889 -1.016 241 HE21 GLN 29 1HE2 GLN 29 -10.732 -7.701 -1.151 242 HE22 GLN 29 2HE2 GLN 29 -9.837 -8.382 -2.460 243 H GLU 30 H GLU 30 -15.725 -11.481 1.070 244 HA GLU 30 HA GLU 30 -14.769 -12.302 3.666 245 HB2 GLU 30 2HB GLU 30 -16.566 -14.060 3.460 246 HB3 GLU 30 1HB GLU 30 -17.142 -12.403 3.374 247 HG2 GLU 30 2HG GLU 30 -17.293 -12.578 0.945 248 HG3 GLU 30 1HG GLU 30 -16.698 -14.234 1.024 249 H LYS 31 H LYS 31 -14.443 -13.250 0.354 250 HA LYS 31 HA LYS 31 -12.316 -15.051 1.119 251 HB2 LYS 31 2HB LYS 31 -14.229 -16.562 1.037 252 HB3 LYS 31 1HB LYS 31 -14.638 -15.993 -0.575 253 HG2 LYS 31 2HG LYS 31 -12.680 -16.976 -1.509 254 HG3 LYS 31 1HG LYS 31 -12.031 -17.336 0.090 255 HD2 LYS 31 2HD LYS 31 -14.590 -18.514 -0.991 256 HD3 LYS 31 1HD LYS 31 -13.018 -19.302 -1.122 257 HE2 LYS 31 2HE LYS 31 -14.410 -18.534 1.446 258 HE3 LYS 31 1HE LYS 31 -14.283 -20.161 0.786 259 HZ1 LYS 31 1HZ LYS 31 -12.026 -18.461 1.690 260 HZ2 LYS 31 2HZ LYS 31 -11.868 -19.997 1.016 261 HZ3 LYS 31 3HZ LYS 31 -12.646 -19.804 2.502 262 H ILE 32 H ILE 32 -10.742 -14.087 0.119 263 HA ILE 32 HA ILE 32 -11.077 -12.789 -2.428 264 HB ILE 32 HB ILE 32 -8.584 -13.229 -0.765 265 HG12 ILE 32 2HG1 ILE 32 -10.424 -10.837 -0.979 266 HG13 ILE 32 1HG1 ILE 32 -10.309 -11.923 0.400 267 HG21 ILE 32 1HG2 ILE 32 -7.603 -11.441 -2.101 268 HG22 ILE 32 2HG2 ILE 32 -9.080 -11.337 -3.059 269 HG23 ILE 32 3HG2 ILE 32 -8.086 -12.795 -3.123 270 HD11 ILE 32 1HD1 ILE 32 -7.988 -11.210 0.736 271 HD12 ILE 32 2HD1 ILE 32 -9.129 -9.868 0.830 272 HD13 ILE 32 3HD1 ILE 32 -8.156 -10.097 -0.623 273 H THR 33 H THR 33 -11.004 -13.858 -4.273 274 HA THR 33 HA THR 33 -9.550 -16.408 -4.376 275 HB THR 33 HB THR 33 -11.675 -15.483 -6.320 276 HG1 THR 33 1HG THR 33 -11.873 -16.573 -3.737 277 HG21 THR 33 1HG2 THR 33 -10.676 -18.234 -5.531 278 HG22 THR 33 2HG2 THR 33 -10.276 -17.390 -7.027 279 HG23 THR 33 3HG2 THR 33 -11.937 -17.897 -6.717 280 H ARG 34 H ARG 34 -9.129 -13.243 -5.245 281 HA ARG 34 HA ARG 34 -8.142 -13.528 -7.909 282 HB2 ARG 34 2HB ARG 34 -7.313 -11.274 -7.698 283 HB3 ARG 34 1HB ARG 34 -8.903 -11.353 -6.953 284 HG2 ARG 34 2HG ARG 34 -7.936 -11.379 -4.760 285 HG3 ARG 34 1HG ARG 34 -6.312 -11.497 -5.434 286 HD2 ARG 34 2HD ARG 34 -6.763 -9.234 -4.715 287 HD3 ARG 34 1HD ARG 34 -6.597 -9.294 -6.467 288 HE ARG 34 HE ARG 34 -9.145 -9.356 -6.435 289 HH11 ARG 34 1HH1 ARG 34 -7.258 -7.751 -3.953 290 HH12 ARG 34 2HH1 ARG 34 -8.424 -6.511 -3.672 291 HH21 ARG 34 1HH2 ARG 34 -10.707 -7.751 -6.055 292 HH22 ARG 34 2HH2 ARG 34 -10.420 -6.511 -4.888 293 H THR 35 H THR 35 -6.080 -13.820 -8.650 294 HA THR 35 HA THR 35 -4.195 -14.920 -6.748 295 HB THR 35 HB THR 35 -4.552 -16.157 -8.832 296 HG1 THR 35 1HG THR 35 -2.149 -15.827 -9.609 297 HG21 THR 35 1HG2 THR 35 -3.532 -13.660 -10.177 298 HG22 THR 35 2HG2 THR 35 -5.128 -14.399 -10.351 299 HG23 THR 35 3HG2 THR 35 -3.703 -15.222 -10.975 300 H LYS 36 H LYS 36 -1.788 -14.368 -7.371 301 HA LYS 36 HA LYS 36 -1.268 -11.734 -6.540 302 HB2 LYS 36 2HB LYS 36 0.271 -13.602 -6.177 303 HB3 LYS 36 1HB LYS 36 0.534 -13.742 -7.907 304 HG2 LYS 36 2HG LYS 36 1.591 -11.534 -7.917 305 HG3 LYS 36 1HG LYS 36 1.324 -11.408 -6.175 306 HD2 LYS 36 2HD LYS 36 2.712 -13.376 -5.801 307 HD3 LYS 36 1HD LYS 36 2.949 -13.557 -7.539 308 HE2 LYS 36 2HE LYS 36 4.067 -11.377 -7.603 309 HE3 LYS 36 1HE LYS 36 3.837 -11.212 -5.864 310 HZ1 LYS 36 1HZ LYS 36 5.429 -13.327 -7.206 311 HZ2 LYS 36 2HZ LYS 36 5.202 -13.186 -5.540 312 HZ3 LYS 36 3HZ LYS 36 6.057 -11.993 -6.380 313 H GLU 37 H GLU 37 -1.294 -13.244 -9.713 314 HA GLU 37 HA GLU 37 -0.246 -11.151 -11.238 315 HB2 GLU 37 2HB GLU 37 -2.328 -13.199 -12.044 316 HB3 GLU 37 1HB GLU 37 -1.435 -12.181 -13.158 317 HG2 GLU 37 2HG GLU 37 -0.418 -14.312 -13.205 318 HG3 GLU 37 1HG GLU 37 0.668 -13.255 -12.309 319 H GLU 38 H GLU 38 -3.563 -11.826 -10.225 320 HA GLU 38 HA GLU 38 -4.815 -9.731 -11.633 321 HB2 GLU 38 2HB GLU 38 -5.609 -11.065 -9.040 322 HB3 GLU 38 1HB GLU 38 -6.645 -10.000 -9.976 323 HG2 GLU 38 2HG GLU 38 -5.535 -12.637 -10.886 324 HG3 GLU 38 1HG GLU 38 -7.188 -12.339 -10.350 325 H ALA 39 H ALA 39 -3.573 -9.969 -8.332 326 HA ALA 39 HA ALA 39 -4.240 -7.402 -7.465 327 HB1 ALA 39 1HB ALA 39 -2.536 -7.723 -5.744 328 HB2 ALA 39 2HB ALA 39 -1.874 -9.088 -6.644 329 HB3 ALA 39 3HB ALA 39 -3.497 -9.187 -5.960 330 H LEU 40 H LEU 40 -1.412 -8.601 -9.189 331 HA LEU 40 HA LEU 40 0.143 -6.277 -9.121 332 HB2 LEU 40 2HB LEU 40 0.898 -8.566 -9.817 333 HB3 LEU 40 1HB LEU 40 0.029 -8.357 -11.318 334 HG LEU 40 HG LEU 40 2.550 -8.031 -11.384 335 HD11 LEU 40 1HD1 LEU 40 0.813 -5.782 -12.375 336 HD12 LEU 40 2HD1 LEU 40 1.130 -7.304 -13.206 337 HD13 LEU 40 3HD1 LEU 40 2.440 -6.154 -12.943 338 HD21 LEU 40 1HD2 LEU 40 3.419 -5.864 -10.700 339 HD22 LEU 40 2HD2 LEU 40 2.755 -6.733 -9.316 340 HD23 LEU 40 3HD2 LEU 40 1.841 -5.417 -10.055 341 H GLU 41 H GLU 41 -2.303 -7.362 -11.461 342 HA GLU 41 HA GLU 41 -2.038 -5.151 -13.196 343 HB2 GLU 41 2HB GLU 41 -4.409 -6.951 -12.720 344 HB3 GLU 41 1HB GLU 41 -4.273 -5.798 -14.040 345 HG2 GLU 41 2HG GLU 41 -2.200 -7.030 -14.743 346 HG3 GLU 41 1HG GLU 41 -2.645 -8.270 -13.570 347 H LEU 42 H LEU 42 -4.099 -5.763 -10.402 348 HA LEU 42 HA LEU 42 -5.640 -3.432 -10.563 349 HB2 LEU 42 2HB LEU 42 -4.964 -5.364 -8.422 350 HB3 LEU 42 1HB LEU 42 -5.562 -3.802 -7.902 351 HG LEU 42 HG LEU 42 -7.627 -4.141 -9.175 352 HD11 LEU 42 1HD1 LEU 42 -6.489 -6.840 -9.879 353 HD12 LEU 42 2HD1 LEU 42 -6.754 -5.500 -10.994 354 HD13 LEU 42 3HD1 LEU 42 -8.129 -6.285 -10.217 355 HD21 LEU 42 1HD2 LEU 42 -7.545 -4.888 -6.867 356 HD22 LEU 42 2HD2 LEU 42 -6.937 -6.462 -7.381 357 HD23 LEU 42 3HD2 LEU 42 -8.566 -5.956 -7.829 358 H ILE 43 H ILE 43 -2.520 -4.038 -9.017 359 HA ILE 43 HA ILE 43 -2.102 -1.584 -7.772 360 HB ILE 43 HB ILE 43 -0.086 -3.357 -9.174 361 HG12 ILE 43 2HG1 ILE 43 -1.253 -4.451 -7.327 362 HG13 ILE 43 1HG1 ILE 43 0.433 -4.164 -6.919 363 HG21 ILE 43 1HG2 ILE 43 0.425 -1.093 -7.247 364 HG22 ILE 43 2HG2 ILE 43 0.828 -1.117 -8.963 365 HG23 ILE 43 3HG2 ILE 43 1.640 -2.219 -7.853 366 HD11 ILE 43 1HD1 ILE 43 -1.939 -2.573 -5.978 367 HD12 ILE 43 2HD1 ILE 43 -0.255 -2.187 -5.625 368 HD13 ILE 43 3HD1 ILE 43 -0.961 -3.686 -5.025 369 H ASN 44 H ASN 44 -1.257 -2.560 -11.061 370 HA ASN 44 HA ASN 44 -0.261 -0.061 -11.891 371 HB2 ASN 44 2HB ASN 44 -1.313 -2.445 -13.393 372 HB3 ASN 44 1HB ASN 44 -0.783 -0.995 -14.232 373 HD21 ASN 44 1HD2 ASN 44 0.197 -3.753 -12.365 374 HD22 ASN 44 2HD2 ASN 44 1.892 -3.589 -12.659 375 H GLY 45 H GLY 45 -3.479 -1.441 -11.862 376 HA2 GLY 45 2HA GLY 45 -4.757 0.517 -13.435 377 HA3 GLY 45 1HA GLY 45 -5.537 -0.519 -12.246 378 H TYR 46 H TYR 46 -4.188 0.286 -9.943 379 HA TYR 46 HA TYR 46 -5.627 2.620 -9.254 380 HB2 TYR 46 2HB TYR 46 -3.293 1.372 -7.778 381 HB3 TYR 46 1HB TYR 46 -4.440 2.526 -7.108 382 HD1 TYR 46 1HD TYR 46 -6.983 1.397 -8.228 383 HD2 TYR 46 2HD TYR 46 -3.635 -0.512 -6.425 384 HE1 TYR 46 1HE TYR 46 -8.426 -0.461 -7.529 385 HE2 TYR 46 2HE TYR 46 -5.073 -2.380 -5.724 386 HH TYR 46 HH TYR 46 -8.208 -2.825 -6.937 387 H ILE 47 H ILE 47 -2.244 2.055 -10.077 388 HA ILE 47 HA ILE 47 -1.193 4.584 -9.584 389 HB ILE 47 HB ILE 47 -0.482 2.603 -11.763 390 HG12 ILE 47 2HG1 ILE 47 0.821 3.183 -9.090 391 HG13 ILE 47 1HG1 ILE 47 -0.196 1.794 -9.450 392 HG21 ILE 47 1HG2 ILE 47 1.033 5.054 -10.871 393 HG22 ILE 47 2HG2 ILE 47 0.304 4.778 -12.451 394 HG23 ILE 47 3HG2 ILE 47 1.674 3.799 -11.930 395 HD11 ILE 47 1HD1 ILE 47 2.463 2.415 -10.715 396 HD12 ILE 47 2HD1 ILE 47 1.449 1.021 -11.085 397 HD13 ILE 47 3HD1 ILE 47 2.154 1.197 -9.478 398 H GLN 48 H GLN 48 -2.795 3.335 -12.481 399 HA GLN 48 HA GLN 48 -2.568 5.656 -14.046 400 HB2 GLN 48 2HB GLN 48 -4.587 3.418 -14.104 401 HB3 GLN 48 1HB GLN 48 -4.521 4.692 -15.311 402 HG2 GLN 48 2HG GLN 48 -2.294 2.761 -14.697 403 HG3 GLN 48 1HG GLN 48 -3.426 2.621 -16.040 404 HE21 GLN 48 1HE2 GLN 48 -0.547 2.859 -16.103 405 HE22 GLN 48 2HE2 GLN 48 -0.190 4.275 -17.029 406 H LYS 49 H LYS 49 -5.013 4.619 -11.717 407 HA LYS 49 HA LYS 49 -6.928 6.609 -12.268 408 HB2 LYS 49 2HB LYS 49 -6.386 5.227 -9.638 409 HB3 LYS 49 1HB LYS 49 -7.838 6.127 -10.043 410 HG2 LYS 49 2HG LYS 49 -8.216 4.480 -11.901 411 HG3 LYS 49 1HG LYS 49 -6.894 3.528 -11.220 412 HD2 LYS 49 2HD LYS 49 -8.956 2.648 -10.372 413 HD3 LYS 49 1HD LYS 49 -8.138 3.490 -9.055 414 HE2 LYS 49 2HE LYS 49 -10.522 4.012 -9.073 415 HE3 LYS 49 1HE LYS 49 -9.565 5.449 -9.411 416 HZ1 LYS 49 1HZ LYS 49 -10.957 3.776 -11.423 417 HZ2 LYS 49 2HZ LYS 49 -10.033 5.149 -11.781 418 HZ3 LYS 49 3HZ LYS 49 -11.466 5.291 -10.882 419 H ILE 50 H ILE 50 -4.166 6.560 -10.090 420 HA ILE 50 HA ILE 50 -4.730 9.026 -8.807 421 HB ILE 50 HB ILE 50 -2.023 7.720 -9.167 422 HG12 ILE 50 2HG1 ILE 50 -3.971 7.387 -6.876 423 HG13 ILE 50 1HG1 ILE 50 -3.769 6.215 -8.172 424 HG21 ILE 50 1HG2 ILE 50 -3.041 9.679 -7.103 425 HG22 ILE 50 2HG2 ILE 50 -1.905 10.035 -8.402 426 HG23 ILE 50 3HG2 ILE 50 -1.443 8.932 -7.106 427 HD11 ILE 50 1HD1 ILE 50 -1.646 7.071 -6.219 428 HD12 ILE 50 2HD1 ILE 50 -1.445 5.889 -7.512 429 HD13 ILE 50 3HD1 ILE 50 -2.551 5.557 -6.179 430 H LYS 51 H LYS 51 -2.474 8.163 -11.418 431 HA LYS 51 HA LYS 51 -1.575 10.799 -11.880 432 HB2 LYS 51 2HB LYS 51 -1.479 8.290 -13.527 433 HB3 LYS 51 1HB LYS 51 -0.866 9.815 -14.147 434 HG2 LYS 51 2HG LYS 51 0.096 8.415 -11.654 435 HG3 LYS 51 1HG LYS 51 0.919 8.438 -13.216 436 HD2 LYS 51 2HD LYS 51 0.929 10.970 -13.015 437 HD3 LYS 51 1HD LYS 51 0.423 10.745 -11.342 438 HE2 LYS 51 2HE LYS 51 2.945 9.657 -12.596 439 HE3 LYS 51 1HE LYS 51 2.842 11.048 -11.520 440 HZ1 LYS 51 1HZ LYS 51 2.185 8.240 -10.821 441 HZ2 LYS 51 2HZ LYS 51 2.015 9.563 -9.782 442 HZ3 LYS 51 3HZ LYS 51 3.548 9.106 -10.322 443 H SER 52 H SER 52 -4.240 8.956 -13.259 444 HA SER 52 HA SER 52 -4.821 10.893 -15.284 445 HB2 SER 52 2HB SER 52 -5.435 8.453 -15.411 446 HB3 SER 52 1HB SER 52 -6.658 8.752 -14.181 447 HG SER 52 HG SER 52 -6.587 10.291 -16.542 448 H GLY 53 H GLY 53 -5.304 10.817 -11.956 449 HA2 GLY 53 2HA GLY 53 -6.322 12.311 -10.551 450 HA3 GLY 53 1HA GLY 53 -6.684 13.293 -11.961 451 H GLU 54 H GLU 54 -7.692 9.994 -11.161 452 HA GLU 54 HA GLU 54 -10.431 10.718 -11.755 453 HB2 GLU 54 2HB GLU 54 -9.241 8.087 -10.877 454 HB3 GLU 54 1HB GLU 54 -10.917 8.328 -11.341 455 HG2 GLU 54 2HG GLU 54 -10.059 9.090 -13.581 456 HG3 GLU 54 1HG GLU 54 -8.475 8.509 -13.069 457 H GLU 55 H GLU 55 -8.713 9.294 -8.999 458 HA GLU 55 HA GLU 55 -10.606 10.591 -7.191 459 HB2 GLU 55 2HB GLU 55 -9.875 7.658 -7.107 460 HB3 GLU 55 1HB GLU 55 -10.773 8.503 -5.858 461 HG2 GLU 55 2HG GLU 55 -12.589 8.917 -7.394 462 HG3 GLU 55 1HG GLU 55 -11.675 8.181 -8.709 463 H ASP 56 H ASP 56 -9.810 10.554 -4.941 464 HA ASP 56 HA ASP 56 -7.026 11.213 -4.829 465 HB2 ASP 56 2HB ASP 56 -9.200 11.023 -2.748 466 HB3 ASP 56 1HB ASP 56 -7.529 11.336 -2.303 467 H PHE 57 H PHE 57 -5.462 10.194 -3.416 468 HA PHE 57 HA PHE 57 -5.346 7.401 -3.761 469 HB2 PHE 57 2HB PHE 57 -3.346 8.868 -3.496 470 HB3 PHE 57 1HB PHE 57 -3.767 9.085 -1.801 471 HD1 PHE 57 1HD PHE 57 -3.298 7.383 -0.183 472 HD2 PHE 57 2HD PHE 57 -2.590 6.683 -4.317 473 HE1 PHE 57 1HE PHE 57 -2.017 5.360 0.383 474 HE2 PHE 57 2HE PHE 57 -1.308 4.659 -3.759 475 HZ PHE 57 HZ PHE 57 -1.021 3.994 -1.407 476 H GLU 58 H GLU 58 -6.200 9.435 -1.013 477 HA GLU 58 HA GLU 58 -6.551 7.367 0.871 478 HB2 GLU 58 2HB GLU 58 -7.925 10.061 0.744 479 HB3 GLU 58 1HB GLU 58 -7.872 9.008 2.147 480 HG2 GLU 58 2HG GLU 58 -6.290 10.747 2.484 481 HG3 GLU 58 1HG GLU 58 -5.386 9.270 2.155 482 H SER 59 H SER 59 -8.651 8.817 -1.536 483 HA SER 59 HA SER 59 -11.061 7.598 -0.738 484 HB2 SER 59 2HB SER 59 -10.244 8.404 -3.538 485 HB3 SER 59 1HB SER 59 -11.887 8.221 -2.924 486 HG SER 59 HG SER 59 -11.454 10.364 -2.835 487 H LEU 60 H LEU 60 -8.479 6.644 -2.954 488 HA LEU 60 HA LEU 60 -9.711 4.252 -3.845 489 HB2 LEU 60 2HB LEU 60 -6.791 5.013 -3.743 490 HB3 LEU 60 1HB LEU 60 -7.433 3.624 -4.595 491 HG LEU 60 HG LEU 60 -8.022 6.514 -5.236 492 HD11 LEU 60 1HD1 LEU 60 -6.376 4.453 -6.695 493 HD12 LEU 60 2HD1 LEU 60 -5.758 5.860 -5.829 494 HD13 LEU 60 3HD1 LEU 60 -6.746 6.078 -7.273 495 HD21 LEU 60 1HD2 LEU 60 -9.940 5.122 -5.733 496 HD22 LEU 60 2HD2 LEU 60 -8.913 3.969 -6.586 497 HD23 LEU 60 3HD2 LEU 60 -9.138 5.595 -7.230 498 H ALA 61 H ALA 61 -7.570 5.052 -1.182 499 HA ALA 61 HA ALA 61 -7.013 2.442 -0.323 500 HB1 ALA 61 1HB ALA 61 -7.210 4.956 1.336 501 HB2 ALA 61 2HB ALA 61 -5.778 4.407 0.466 502 HB3 ALA 61 3HB ALA 61 -6.410 3.458 1.811 503 H SER 62 H SER 62 -9.551 4.715 0.662 504 HA SER 62 HA SER 62 -10.775 2.899 2.479 505 HB2 SER 62 2HB SER 62 -11.894 5.406 1.207 506 HB3 SER 62 1HB SER 62 -12.549 4.580 2.623 507 HG SER 62 HG SER 62 -10.298 4.912 3.483 508 H GLN 63 H GLN 63 -10.595 2.556 -0.736 509 HA GLN 63 HA GLN 63 -13.296 1.398 -0.909 510 HB2 GLN 63 2HB GLN 63 -11.716 2.835 -3.012 511 HB3 GLN 63 1HB GLN 63 -13.041 1.759 -3.418 512 HG2 GLN 63 2HG GLN 63 -14.570 3.149 -2.130 513 HG3 GLN 63 1HG GLN 63 -13.234 4.220 -1.701 514 HE21 GLN 63 1HE2 GLN 63 -12.341 5.524 -3.265 515 HE22 GLN 63 2HE2 GLN 63 -13.140 5.873 -4.769 516 H PHE 64 H PHE 64 -9.934 1.084 -2.027 517 HA PHE 64 HA PHE 64 -10.595 -1.661 -2.855 518 HB2 PHE 64 2HB PHE 64 -8.438 0.167 -3.888 519 HB3 PHE 64 1HB PHE 64 -8.673 -1.501 -4.395 520 HD1 PHE 64 1HD PHE 64 -10.885 -2.113 -5.482 521 HD2 PHE 64 2HD PHE 64 -9.609 1.906 -4.905 522 HE1 PHE 64 1HE PHE 64 -12.470 -1.367 -7.207 523 HE2 PHE 64 2HE PHE 64 -11.193 2.660 -6.627 524 HZ PHE 64 HZ PHE 64 -12.627 1.023 -7.782 525 H SER 65 H SER 65 -8.830 -0.002 -0.481 526 HA SER 65 HA SER 65 -6.702 -1.937 -0.357 527 HB2 SER 65 2HB SER 65 -7.490 0.281 1.528 528 HB3 SER 65 1HB SER 65 -6.113 -0.790 1.795 529 HG SER 65 HG SER 65 -6.438 0.646 -0.608 530 H ASP 66 H ASP 66 -6.957 -3.884 0.345 531 HA ASP 66 HA ASP 66 -9.192 -4.632 2.021 532 HB2 ASP 66 2HB ASP 66 -6.973 -6.196 0.705 533 HB3 ASP 66 1HB ASP 66 -8.123 -6.949 1.801 534 H CYS 67 H CYS 67 -8.073 -3.029 3.624 535 HA CYS 67 HA CYS 67 -6.837 -4.653 5.682 536 HB2 CYS 67 2HB CYS 67 -4.975 -3.044 6.010 537 HB3 CYS 67 1HB CYS 67 -4.879 -3.879 4.463 538 HG CYS 67 HG CYS 67 -6.556 -1.278 3.751 539 H SER 68 H SER 68 -6.695 -3.419 7.756 540 HA SER 68 HA SER 68 -9.106 -2.027 8.232 541 HB2 SER 68 2HB SER 68 -6.663 -2.243 10.005 542 HB3 SER 68 1HB SER 68 -8.285 -1.785 10.523 543 HG SER 68 HG SER 68 -8.863 -3.810 10.515 544 H SER 69 H SER 69 -5.896 -0.988 7.413 545 HA SER 69 HA SER 69 -5.977 1.670 8.312 546 HB2 SER 69 2HB SER 69 -4.562 0.653 5.846 547 HB3 SER 69 1HB SER 69 -4.145 2.072 6.806 548 HG SER 69 HG SER 69 -3.936 0.426 8.591 549 H ALA 70 H ALA 70 -7.600 0.126 5.718 550 HA ALA 70 HA ALA 70 -7.909 2.181 3.869 551 HB1 ALA 70 1HB ALA 70 -8.560 -0.150 3.477 552 HB2 ALA 70 2HB ALA 70 -9.856 0.979 3.086 553 HB3 ALA 70 3HB ALA 70 -9.916 0.054 4.586 554 H LYS 71 H LYS 71 -9.640 1.554 6.872 555 HA LYS 71 HA LYS 71 -11.517 3.703 6.338 556 HB2 LYS 71 2HB LYS 71 -11.215 1.950 8.781 557 HB3 LYS 71 1HB LYS 71 -12.531 3.078 8.489 558 HG2 LYS 71 2HG LYS 71 -13.237 1.786 6.555 559 HG3 LYS 71 1HG LYS 71 -11.882 0.682 6.782 560 HD2 LYS 71 2HD LYS 71 -13.610 -0.483 7.773 561 HD3 LYS 71 1HD LYS 71 -12.905 0.348 9.156 562 HE2 LYS 71 2HE LYS 71 -15.281 1.360 7.593 563 HE3 LYS 71 1HE LYS 71 -15.406 0.397 9.058 564 HZ1 LYS 71 1HZ LYS 71 -15.653 2.700 9.587 565 HZ2 LYS 71 2HZ LYS 71 -14.215 3.109 8.817 566 HZ3 LYS 71 3HZ LYS 71 -14.184 2.173 10.228 567 H ALA 72 H ALA 72 -8.476 3.814 7.026 568 HA ALA 72 HA ALA 72 -8.703 6.095 8.875 569 HB1 ALA 72 1HB ALA 72 -6.406 5.565 9.615 570 HB2 ALA 72 2HB ALA 72 -6.418 4.135 8.583 571 HB3 ALA 72 3HB ALA 72 -7.527 4.246 9.950 572 H ARG 73 H ARG 73 -8.928 5.896 5.958 573 HA ARG 73 HA ARG 73 -8.364 7.063 4.105 574 HB2 ARG 73 2HB ARG 73 -6.493 8.593 5.926 575 HB3 ARG 73 1HB ARG 73 -6.912 9.054 4.285 576 HG2 ARG 73 2HG ARG 73 -9.267 9.292 4.985 577 HG3 ARG 73 1HG ARG 73 -8.785 8.908 6.639 578 HD2 ARG 73 2HD ARG 73 -8.956 11.307 6.379 579 HD3 ARG 73 1HD ARG 73 -7.270 10.855 6.617 580 HE ARG 73 HE ARG 73 -8.138 11.119 3.865 581 HH11 ARG 73 1HH1 ARG 73 -6.611 12.693 6.601 582 HH12 ARG 73 2HH1 ARG 73 -5.845 13.909 5.641 583 HH21 ARG 73 1HH2 ARG 73 -7.119 12.726 2.585 584 HH22 ARG 73 2HH2 ARG 73 -6.123 13.917 3.345 585 H GLY 74 H GLY 74 -6.556 4.835 5.432 586 HA2 GLY 74 2HA GLY 74 -4.927 3.477 4.498 587 HA3 GLY 74 1HA GLY 74 -4.784 4.618 3.166 588 H ASP 75 H ASP 75 -4.604 6.427 5.822 589 HA ASP 75 HA ASP 75 -1.739 6.746 5.595 590 HB2 ASP 75 2HB ASP 75 -2.813 8.800 5.581 591 HB3 ASP 75 1HB ASP 75 -3.987 8.310 6.793 592 H LEU 76 H LEU 76 -0.252 6.280 7.106 593 HA LEU 76 HA LEU 76 -1.206 4.913 9.529 594 HB2 LEU 76 2HB LEU 76 1.428 4.687 8.079 595 HB3 LEU 76 1HB LEU 76 1.068 3.900 9.601 596 HG LEU 76 HG LEU 76 -0.301 3.372 6.966 597 HD11 LEU 76 1HD1 LEU 76 1.610 1.698 8.588 598 HD12 LEU 76 2HD1 LEU 76 1.967 2.497 7.057 599 HD13 LEU 76 3HD1 LEU 76 0.786 1.188 7.113 600 HD21 LEU 76 1HD2 LEU 76 -1.861 3.093 8.806 601 HD22 LEU 76 2HD2 LEU 76 -0.694 2.099 9.675 602 HD23 LEU 76 3HD2 LEU 76 -1.396 1.517 8.166 603 H GLY 77 H GLY 77 -0.143 7.848 8.592 604 HA2 GLY 77 2HA GLY 77 0.349 9.631 9.986 605 HA3 GLY 77 1HA GLY 77 0.646 8.500 11.297 606 H ALA 78 H ALA 78 2.436 10.107 11.564 607 HA ALA 78 HA ALA 78 4.683 9.602 9.773 608 HB1 ALA 78 1HB ALA 78 5.743 11.506 10.820 609 HB2 ALA 78 2HB ALA 78 4.446 11.614 12.009 610 HB3 ALA 78 3HB ALA 78 4.114 11.944 10.309 611 H PHE 79 H PHE 79 6.136 8.154 10.296 612 HA PHE 79 HA PHE 79 6.584 7.546 13.137 613 HB2 PHE 79 2HB PHE 79 6.929 5.149 12.477 614 HB3 PHE 79 1HB PHE 79 5.274 5.713 12.299 615 HD1 PHE 79 1HD PHE 79 4.247 5.878 10.133 616 HD2 PHE 79 2HD PHE 79 8.317 4.688 10.515 617 HE1 PHE 79 1HE PHE 79 4.239 5.111 7.798 618 HE2 PHE 79 2HE PHE 79 8.313 3.921 8.178 619 HZ PHE 79 HZ PHE 79 6.275 4.131 6.819 620 H SER 80 H SER 80 8.655 5.937 13.129 621 HA SER 80 HA SER 80 10.703 7.295 11.521 622 HB2 SER 80 2HB SER 80 10.517 7.771 14.106 623 HB3 SER 80 1HB SER 80 11.306 6.202 14.248 624 HG SER 80 HG SER 80 12.241 8.592 13.117 625 H ARG 81 H ARG 81 12.856 5.841 11.850 626 HA ARG 81 HA ARG 81 12.275 3.391 10.504 627 HB2 ARG 81 2HB ARG 81 14.862 4.519 11.577 628 HB3 ARG 81 1HB ARG 81 14.756 3.020 10.669 629 HG2 ARG 81 2HG ARG 81 13.923 4.212 8.737 630 HG3 ARG 81 1HG ARG 81 13.923 5.724 9.646 631 HD2 ARG 81 2HD ARG 81 16.359 4.047 9.059 632 HD3 ARG 81 1HD ARG 81 15.887 5.494 8.170 633 HE ARG 81 HE ARG 81 16.019 6.219 10.834 634 HH11 ARG 81 1HH1 ARG 81 18.237 5.011 8.392 635 HH12 ARG 81 2HH1 ARG 81 19.619 5.796 9.073 636 HH21 ARG 81 1HH2 ARG 81 17.853 7.272 11.732 637 HH22 ARG 81 2HH2 ARG 81 19.400 7.077 10.986 638 H GLY 82 H GLY 82 12.442 1.315 11.187 639 HA2 GLY 82 2HA GLY 82 12.917 -0.436 12.651 640 HA3 GLY 82 1HA GLY 82 13.376 0.738 13.874 641 H GLN 83 H GLN 83 10.359 0.822 12.095 642 HA GLN 83 HA GLN 83 8.967 -0.024 14.553 643 HB2 GLN 83 2HB GLN 83 8.168 2.248 12.733 644 HB3 GLN 83 1HB GLN 83 7.209 1.637 14.068 645 HG2 GLN 83 2HG GLN 83 9.074 2.264 15.598 646 HG3 GLN 83 1HG GLN 83 9.868 3.028 14.221 647 HE21 GLN 83 1HE2 GLN 83 6.406 3.008 14.714 648 HE22 GLN 83 2HE2 GLN 83 6.245 4.697 15.032 649 H MET 84 H MET 84 8.634 0.533 11.069 650 HA MET 84 HA MET 84 6.344 -1.272 11.010 651 HB2 MET 84 2HB MET 84 7.541 0.512 8.891 652 HB3 MET 84 1HB MET 84 6.156 -0.539 8.626 653 HG2 MET 84 2HG MET 84 6.292 1.719 10.614 654 HG3 MET 84 1HG MET 84 5.506 1.782 9.037 655 HE1 MET 84 1HE MET 84 4.112 2.510 11.854 656 HE2 MET 84 2HE MET 84 2.526 1.775 11.621 657 HE3 MET 84 3HE MET 84 3.296 2.651 10.297 658 H GLN 85 H GLN 85 6.326 -2.566 8.793 659 HA GLN 85 HA GLN 85 8.263 -4.612 9.061 660 HB2 GLN 85 2HB GLN 85 6.355 -4.059 6.778 661 HB3 GLN 85 1HB GLN 85 7.235 -5.559 7.031 662 HG2 GLN 85 2HG GLN 85 5.158 -4.411 8.884 663 HG3 GLN 85 1HG GLN 85 4.909 -5.733 7.745 664 HE21 GLN 85 1HE2 GLN 85 6.334 -4.769 10.755 665 HE22 GLN 85 2HE2 GLN 85 6.724 -6.355 11.311 666 H LYS 86 H LYS 86 10.084 -5.061 7.902 667 HA LYS 86 HA LYS 86 11.670 -3.046 6.992 668 HB2 LYS 86 2HB LYS 86 12.608 -5.171 7.583 669 HB3 LYS 86 1HB LYS 86 11.799 -5.974 6.255 670 HG2 LYS 86 2HG LYS 86 14.149 -5.674 5.773 671 HG3 LYS 86 1HG LYS 86 13.171 -4.713 4.663 672 HD2 LYS 86 2HD LYS 86 13.612 -2.715 5.975 673 HD3 LYS 86 1HD LYS 86 14.531 -3.661 7.144 674 HE2 LYS 86 2HE LYS 86 15.220 -3.339 4.228 675 HE3 LYS 86 1HE LYS 86 15.974 -2.453 5.549 676 HZ1 LYS 86 1HZ LYS 86 16.082 -5.384 5.088 677 HZ2 LYS 86 2HZ LYS 86 16.702 -4.617 6.456 678 HZ3 LYS 86 3HZ LYS 86 17.356 -4.285 4.934 679 HA PRO 87 HA PRO 87 10.668 -4.044 2.270 680 HB2 PRO 87 2HB PRO 87 7.840 -4.918 2.578 681 HB3 PRO 87 1HB PRO 87 9.075 -5.486 1.449 682 HG2 PRO 87 2HG PRO 87 8.362 -6.979 3.522 683 HG3 PRO 87 1HG PRO 87 10.060 -6.876 3.020 684 HD2 PRO 87 2HD PRO 87 8.675 -5.542 5.311 685 HD3 PRO 87 1HD PRO 87 10.293 -6.266 5.236 686 H PHE 88 H PHE 88 8.007 -3.117 4.405 687 HA PHE 88 HA PHE 88 7.014 -1.096 2.628 688 HB2 PHE 88 2HB PHE 88 5.468 -2.255 4.094 689 HB3 PHE 88 1HB PHE 88 6.364 -1.731 5.513 690 HD1 PHE 88 1HD PHE 88 5.946 0.370 6.510 691 HD2 PHE 88 2HD PHE 88 4.235 -0.568 2.730 692 HE1 PHE 88 1HE PHE 88 4.520 2.367 6.665 693 HE2 PHE 88 2HE PHE 88 2.809 1.428 2.877 694 HZ PHE 88 HZ PHE 88 2.949 2.900 4.845 695 H GLU 89 H GLU 89 8.724 -1.064 5.733 696 HA GLU 89 HA GLU 89 8.753 1.734 6.029 697 HB2 GLU 89 2HB GLU 89 9.096 0.033 7.833 698 HB3 GLU 89 1HB GLU 89 10.710 -0.231 7.196 699 HG2 GLU 89 2HG GLU 89 11.222 2.145 7.598 700 HG3 GLU 89 1HG GLU 89 9.631 2.328 8.333 701 H ASP 90 H ASP 90 11.252 -0.511 4.848 702 HA ASP 90 HA ASP 90 13.201 1.497 4.468 703 HB2 ASP 90 2HB ASP 90 13.745 -0.905 4.639 704 HB3 ASP 90 1HB ASP 90 12.987 -1.175 3.074 705 H ALA 91 H ALA 91 10.596 0.327 2.466 706 HA ALA 91 HA ALA 91 11.473 1.599 0.067 707 HB1 ALA 91 1HB ALA 91 8.694 0.725 0.846 708 HB2 ALA 91 2HB ALA 91 9.897 -0.289 0.054 709 HB3 ALA 91 3HB ALA 91 9.245 1.121 -0.781 710 H ALA 92 H ALA 92 9.317 2.473 2.723 711 HA ALA 92 HA ALA 92 8.347 4.885 1.656 712 HB1 ALA 92 1HB ALA 92 7.765 5.467 3.957 713 HB2 ALA 92 2HB ALA 92 8.790 4.164 4.556 714 HB3 ALA 92 3HB ALA 92 7.350 3.788 3.612 715 H PHE 93 H PHE 93 11.175 4.174 3.661 716 HA PHE 93 HA PHE 93 12.039 6.903 3.720 717 HB2 PHE 93 2HB PHE 93 13.330 4.316 4.555 718 HB3 PHE 93 1HB PHE 93 14.207 5.842 4.602 719 HD1 PHE 93 1HD PHE 93 11.545 3.857 6.114 720 HD2 PHE 93 2HD PHE 93 13.590 7.579 6.178 721 HE1 PHE 93 1HE PHE 93 10.570 4.352 8.318 722 HE2 PHE 93 2HE PHE 93 12.623 8.083 8.380 723 HZ PHE 93 HZ PHE 93 11.109 6.467 9.453 724 H ALA 94 H ALA 94 12.091 4.592 1.331 725 HA ALA 94 HA ALA 94 14.529 5.570 0.068 726 HB1 ALA 94 1HB ALA 94 14.092 3.888 -1.640 727 HB2 ALA 94 2HB ALA 94 12.523 3.537 -0.916 728 HB3 ALA 94 3HB ALA 94 14.003 3.161 -0.035 729 H LEU 95 H LEU 95 11.357 6.455 0.325 730 HA LEU 95 HA LEU 95 11.097 7.504 -2.381 731 HB2 LEU 95 2HB LEU 95 9.205 7.553 -0.036 732 HB3 LEU 95 1HB LEU 95 8.840 8.193 -1.621 733 HG LEU 95 HG LEU 95 9.361 5.297 -0.962 734 HD11 LEU 95 1HD1 LEU 95 6.825 6.747 -1.703 735 HD12 LEU 95 2HD1 LEU 95 7.231 6.108 -0.110 736 HD13 LEU 95 3HD1 LEU 95 6.987 5.008 -1.465 737 HD21 LEU 95 1HD2 LEU 95 10.130 5.853 -3.208 738 HD22 LEU 95 2HD2 LEU 95 8.581 6.615 -3.563 739 HD23 LEU 95 3HD2 LEU 95 8.664 4.878 -3.279 740 H ARG 96 H ARG 96 9.766 9.771 -2.126 741 HA ARG 96 HA ARG 96 11.326 11.546 -0.398 742 HB2 ARG 96 2HB ARG 96 10.775 11.954 -3.347 743 HB3 ARG 96 1HB ARG 96 11.421 13.193 -2.281 744 HG2 ARG 96 2HG ARG 96 12.742 10.576 -2.983 745 HG3 ARG 96 1HG ARG 96 13.196 12.178 -3.574 746 HD2 ARG 96 2HD ARG 96 13.701 12.872 -1.286 747 HD3 ARG 96 1HD ARG 96 13.244 11.278 -0.700 748 HE ARG 96 HE ARG 96 15.462 11.608 -2.597 749 HH11 ARG 96 1HH1 ARG 96 14.178 10.435 0.439 750 HH12 ARG 96 2HH1 ARG 96 15.661 9.731 0.973 751 HH21 ARG 96 1HH2 ARG 96 17.456 10.644 -1.922 752 HH22 ARG 96 2HH2 ARG 96 17.535 9.839 -0.393 753 H THR 97 H THR 97 10.257 13.880 -0.682 754 HA THR 97 HA THR 97 7.693 13.720 0.433 755 HB THR 97 HB THR 97 8.899 16.147 -0.908 756 HG1 THR 97 1HG THR 97 9.286 15.157 1.746 757 HG21 THR 97 1HG2 THR 97 7.017 15.831 1.438 758 HG22 THR 97 2HG2 THR 97 6.571 16.385 -0.176 759 HG23 THR 97 3HG2 THR 97 7.647 17.360 0.826 760 H GLY 98 H GLY 98 6.052 12.860 -0.738 761 HA2 GLY 98 2HA GLY 98 4.275 13.065 -2.227 762 HA3 GLY 98 1HA GLY 98 5.164 14.309 -3.094 763 H GLU 99 H GLU 99 6.285 11.081 -2.243 764 HA GLU 99 HA GLU 99 6.420 10.475 -5.123 765 HB2 GLU 99 2HB GLU 99 8.632 10.926 -3.990 766 HB3 GLU 99 1HB GLU 99 8.340 9.494 -3.018 767 HG2 GLU 99 2HG GLU 99 9.829 9.015 -4.872 768 HG3 GLU 99 1HG GLU 99 8.316 8.119 -5.021 769 H MET 100 H MET 100 5.957 8.371 -5.757 770 HA MET 100 HA MET 100 4.614 6.738 -3.712 771 HB2 MET 100 2HB MET 100 3.118 7.702 -5.448 772 HB3 MET 100 1HB MET 100 4.040 6.845 -6.673 773 HG2 MET 100 2HG MET 100 3.428 4.711 -5.546 774 HG3 MET 100 1HG MET 100 2.375 5.639 -4.480 775 HE1 MET 100 1HE MET 100 3.051 4.350 -8.083 776 HE2 MET 100 2HE MET 100 3.115 6.093 -8.348 777 HE3 MET 100 3HE MET 100 1.792 5.148 -9.025 778 H SER 101 H SER 101 5.219 4.692 -3.470 779 HA SER 101 HA SER 101 7.524 3.731 -4.937 780 HB2 SER 101 2HB SER 101 7.407 3.419 -2.486 781 HB3 SER 101 1HB SER 101 5.942 2.460 -2.681 782 HG SER 101 HG SER 101 7.089 0.819 -3.451 783 H GLY 102 H GLY 102 7.554 1.643 -5.960 784 HA2 GLY 102 2HA GLY 102 5.193 1.134 -7.509 785 HA3 GLY 102 1HA GLY 102 6.721 0.268 -7.609 786 HA PRO 103 HA PRO 103 3.570 -2.521 -5.672 787 HB2 PRO 103 2HB PRO 103 4.374 -4.758 -7.017 788 HB3 PRO 103 1HB PRO 103 3.165 -3.630 -7.637 789 HG2 PRO 103 2HG PRO 103 6.070 -3.850 -8.301 790 HG3 PRO 103 1HG PRO 103 4.695 -3.547 -9.378 791 HD2 PRO 103 2HD PRO 103 6.341 -1.579 -8.525 792 HD3 PRO 103 1HD PRO 103 4.619 -1.306 -8.854 793 H VAL 104 H VAL 104 4.343 -2.737 -3.640 794 HA VAL 104 HA VAL 104 6.861 -4.150 -3.198 795 HB VAL 104 HB VAL 104 4.983 -2.862 -1.191 796 HG11 VAL 104 1HG1 VAL 104 7.783 -3.928 -0.836 797 HG12 VAL 104 2HG1 VAL 104 6.308 -4.657 -0.202 798 HG13 VAL 104 3HG1 VAL 104 6.840 -3.083 0.391 799 HG21 VAL 104 1HG2 VAL 104 5.988 -1.206 -2.668 800 HG22 VAL 104 2HG2 VAL 104 7.592 -1.858 -2.331 801 HG23 VAL 104 3HG2 VAL 104 6.667 -1.084 -1.045 802 H PHE 105 H PHE 105 6.656 -6.273 -3.332 803 HA PHE 105 HA PHE 105 4.159 -7.597 -2.786 804 HB2 PHE 105 2HB PHE 105 6.834 -8.767 -3.561 805 HB3 PHE 105 1HB PHE 105 5.291 -9.612 -3.569 806 HD1 PHE 105 1HD PHE 105 7.427 -7.237 -5.299 807 HD2 PHE 105 2HD PHE 105 3.600 -9.087 -5.253 808 HE1 PHE 105 1HE PHE 105 7.053 -6.507 -7.618 809 HE2 PHE 105 2HE PHE 105 3.218 -8.361 -7.573 810 HZ PHE 105 HZ PHE 105 4.945 -7.068 -8.757 811 H THR 106 H THR 106 3.596 -8.665 -1.034 812 HA THR 106 HA THR 106 5.631 -9.460 0.915 813 HB THR 106 HB THR 106 4.074 -8.744 2.755 814 HG1 THR 106 1HG THR 106 2.644 -7.873 0.521 815 HG21 THR 106 1HG2 THR 106 5.054 -6.524 0.950 816 HG22 THR 106 2HG2 THR 106 6.011 -7.357 2.176 817 HG23 THR 106 3HG2 THR 106 4.642 -6.353 2.657 818 H ASP 107 H ASP 107 3.885 -10.512 2.809 819 HA ASP 107 HA ASP 107 3.149 -12.967 1.555 820 HB2 ASP 107 2HB ASP 107 2.525 -12.009 4.355 821 HB3 ASP 107 1HB ASP 107 2.410 -13.666 3.777 822 H SER 108 H SER 108 1.254 -10.502 3.273 823 HA SER 108 HA SER 108 -1.256 -11.614 2.733 824 HB2 SER 108 2HB SER 108 -0.583 -8.715 3.267 825 HB3 SER 108 1HB SER 108 -2.166 -9.471 3.457 826 HG SER 108 HG SER 108 -0.226 -9.325 5.242 827 H GLY 109 H GLY 109 0.710 -9.336 0.905 828 HA2 GLY 109 2HA GLY 109 -0.319 -9.930 -1.561 829 HA3 GLY 109 1HA GLY 109 -1.366 -8.663 -0.937 830 H ILE 110 H ILE 110 -0.801 -7.057 -2.288 831 HA ILE 110 HA ILE 110 2.043 -6.299 -2.339 832 HB ILE 110 HB ILE 110 -0.073 -5.479 -4.340 833 HG12 ILE 110 2HG1 ILE 110 1.997 -7.671 -4.603 834 HG13 ILE 110 1HG1 ILE 110 0.285 -7.946 -4.315 835 HG21 ILE 110 1HG2 ILE 110 2.943 -5.344 -4.376 836 HG22 ILE 110 2HG2 ILE 110 1.832 -3.981 -4.240 837 HG23 ILE 110 3HG2 ILE 110 1.897 -4.922 -5.730 838 HD11 ILE 110 1HD1 ILE 110 1.484 -6.636 -6.744 839 HD12 ILE 110 2HD1 ILE 110 -0.236 -6.904 -6.458 840 HD13 ILE 110 3HD1 ILE 110 0.852 -8.279 -6.644 841 H HIS 111 H HIS 111 2.618 -4.195 -1.877 842 HA HIS 111 HA HIS 111 0.475 -2.512 -0.735 843 HB2 HIS 111 2HB HIS 111 3.368 -2.698 0.153 844 HB3 HIS 111 1HB HIS 111 2.166 -1.614 0.827 845 HD1 HIS 111 1HD HIS 111 1.512 -2.437 3.070 846 HD2 HIS 111 2HD HIS 111 2.177 -5.566 0.423 847 HE1 HIS 111 1HE HIS 111 1.089 -4.535 4.385 848 HE2 HIS 111 2HE HIS 111 1.728 -6.400 2.827 849 H ILE 112 H ILE 112 0.217 -0.582 -1.664 850 HA ILE 112 HA ILE 112 2.409 0.559 -3.265 851 HB ILE 112 HB ILE 112 -0.467 1.502 -3.026 852 HG12 ILE 112 2HG1 ILE 112 0.877 -0.039 -5.256 853 HG13 ILE 112 1HG1 ILE 112 -0.326 -0.680 -4.142 854 HG21 ILE 112 1HG2 ILE 112 1.726 2.352 -4.913 855 HG22 ILE 112 2HG2 ILE 112 1.061 3.305 -3.587 856 HG23 ILE 112 3HG2 ILE 112 0.051 2.901 -4.977 857 HD11 ILE 112 1HD1 ILE 112 -0.772 1.515 -6.155 858 HD12 ILE 112 2HD1 ILE 112 -1.980 0.883 -5.037 859 HD13 ILE 112 3HD1 ILE 112 -1.315 -0.157 -6.296 860 H ILE 113 H ILE 113 3.521 2.289 -2.484 861 HA ILE 113 HA ILE 113 2.576 3.368 0.091 862 HB ILE 113 HB ILE 113 5.444 3.264 -0.849 863 HG12 ILE 113 2HG1 ILE 113 4.047 1.412 1.094 864 HG13 ILE 113 1HG1 ILE 113 4.461 0.990 -0.564 865 HG21 ILE 113 1HG2 ILE 113 4.224 3.790 1.863 866 HG22 ILE 113 2HG2 ILE 113 4.969 4.990 0.808 867 HG23 ILE 113 3HG2 ILE 113 5.950 3.705 1.511 868 HD11 ILE 113 1HD1 ILE 113 6.400 1.698 1.620 869 HD12 ILE 113 2HD1 ILE 113 6.823 1.289 -0.043 870 HD13 ILE 113 3HD1 ILE 113 6.067 0.081 0.998 871 H LEU 114 H LEU 114 1.991 5.415 0.074 872 HA LEU 114 HA LEU 114 3.199 7.230 -1.911 873 HB2 LEU 114 2HB LEU 114 0.640 6.771 -1.888 874 HB3 LEU 114 1HB LEU 114 0.620 7.711 -0.415 875 HG LEU 114 HG LEU 114 -0.090 9.054 -2.319 876 HD11 LEU 114 1HD1 LEU 114 2.600 9.924 -1.301 877 HD12 LEU 114 2HD1 LEU 114 1.038 10.230 -0.542 878 HD13 LEU 114 3HD1 LEU 114 1.417 10.956 -2.104 879 HD21 LEU 114 1HD2 LEU 114 1.121 7.867 -4.068 880 HD22 LEU 114 2HD2 LEU 114 2.642 8.533 -3.470 881 HD23 LEU 114 3HD2 LEU 114 1.413 9.603 -4.141 882 H ARG 115 H ARG 115 4.796 8.328 -0.935 883 HA ARG 115 HA ARG 115 4.598 8.904 1.922 884 HB2 ARG 115 2HB ARG 115 6.693 7.945 1.174 885 HB3 ARG 115 1HB ARG 115 6.882 9.208 -0.033 886 HG2 ARG 115 2HG ARG 115 7.156 10.871 1.712 887 HG3 ARG 115 1HG ARG 115 6.891 9.638 2.949 888 HD2 ARG 115 2HD ARG 115 8.894 8.493 2.334 889 HD3 ARG 115 1HD ARG 115 9.102 9.512 0.911 890 HE ARG 115 HE ARG 115 9.075 11.234 3.060 891 HH11 ARG 115 1HH1 ARG 115 11.010 8.433 2.165 892 HH12 ARG 115 2HH1 ARG 115 12.482 9.097 2.813 893 HH21 ARG 115 1HH2 ARG 115 11.034 12.078 3.908 894 HH22 ARG 115 2HH2 ARG 115 12.489 11.137 3.796 895 H THR 116 H THR 116 3.851 10.778 2.606 896 HA THR 116 HA THR 116 3.572 12.950 0.694 897 HB THR 116 HB THR 116 2.202 13.954 2.632 898 HG1 THR 116 1HG THR 116 1.385 12.195 4.013 899 HG21 THR 116 1HG2 THR 116 1.297 11.391 1.308 900 HG22 THR 116 2HG2 THR 116 1.207 13.003 0.599 901 HG23 THR 116 3HG2 THR 116 0.240 12.608 2.019 902 H GLU 117 H GLU 117 5.196 12.177 3.699 903 HA GLU 117 HA GLU 117 6.231 14.900 3.907 904 HB2 GLU 117 2HB GLU 117 6.335 12.556 5.787 905 HB3 GLU 117 1HB GLU 117 7.230 14.038 6.063 906 HG2 GLU 117 2HG GLU 117 4.242 13.836 5.802 907 HG3 GLU 117 1HG GLU 117 5.131 13.950 7.319 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 19.890 10.089 -4.296 2 H2 GLY 1 2HT GLY 1 21.171 10.771 -5.165 3 H3 GLY 1 3HT GLY 1 20.449 11.638 -3.907 4 HA2 GLY 1 1HA GLY 1 22.006 9.144 -3.626 5 HA3 GLY 1 2HA GLY 1 22.555 10.761 -3.204 6 H SER 2 H SER 2 22.895 9.805 -1.086 7 HA SER 2 HA SER 2 20.545 9.081 0.416 8 HB2 SER 2 2HB SER 2 23.426 9.378 1.284 9 HB3 SER 2 1HB SER 2 22.127 8.653 2.233 10 HG SER 2 HG SER 2 21.901 7.257 0.233 11 H HIS 3 H HIS 3 19.275 10.582 1.203 12 HA HIS 3 HA HIS 3 20.327 13.237 1.851 13 HB2 HIS 3 2HB HIS 3 17.475 12.226 1.720 14 HB3 HIS 3 1HB HIS 3 17.950 13.886 2.033 15 HD1 HIS 3 1HD HIS 3 17.350 11.465 -0.683 16 HD2 HIS 3 2HD HIS 3 19.038 15.238 -0.251 17 HE1 HIS 3 1HE HIS 3 17.488 12.416 -3.000 18 HE2 HIS 3 2HE HIS 3 18.584 14.660 -2.730 19 H MET 4 H MET 4 19.021 14.203 3.844 20 HA MET 4 HA MET 4 19.709 12.617 6.115 21 HB2 MET 4 2HB MET 4 18.206 15.232 5.870 22 HB3 MET 4 1HB MET 4 18.635 14.490 7.404 23 HG2 MET 4 2HG MET 4 20.969 14.722 6.939 24 HG3 MET 4 1HG MET 4 20.636 15.280 5.305 25 HE1 MET 4 1HE MET 4 18.196 17.278 5.732 26 HE2 MET 4 2HE MET 4 19.597 17.643 4.724 27 HE3 MET 4 3HE MET 4 19.058 18.803 5.937 28 H GLU 5 H GLU 5 18.576 10.833 6.342 29 HA GLU 5 HA GLU 5 15.766 10.680 5.725 30 HB2 GLU 5 2HB GLU 5 17.573 8.593 6.928 31 HB3 GLU 5 1HB GLU 5 16.006 8.328 6.180 32 HG2 GLU 5 2HG GLU 5 16.854 8.884 4.029 33 HG3 GLU 5 1HG GLU 5 18.383 9.429 4.714 34 HA PRO 6 HA PRO 6 14.664 11.553 10.003 35 HB2 PRO 6 2HB PRO 6 11.925 11.054 9.077 36 HB3 PRO 6 1HB PRO 6 12.623 12.538 9.727 37 HG2 PRO 6 2HG PRO 6 11.935 12.292 7.128 38 HG3 PRO 6 1HG PRO 6 13.306 13.283 7.657 39 HD2 PRO 6 2HD PRO 6 13.296 10.531 6.477 40 HD3 PRO 6 1HD PRO 6 14.384 11.901 6.156 41 H ALA 7 H ALA 7 13.815 10.304 11.712 42 HA ALA 7 HA ALA 7 13.869 7.457 11.248 43 HB1 ALA 7 1HB ALA 7 13.729 7.263 13.674 44 HB2 ALA 7 2HB ALA 7 13.409 8.992 13.806 45 HB3 ALA 7 3HB ALA 7 14.972 8.427 13.215 46 H ARG 8 H ARG 8 11.526 9.938 11.602 47 HA ARG 8 HA ARG 8 9.377 7.923 11.552 48 HB2 ARG 8 2HB ARG 8 9.289 10.571 12.998 49 HB3 ARG 8 1HB ARG 8 7.985 9.400 12.903 50 HG2 ARG 8 2HG ARG 8 9.244 7.828 14.215 51 HG3 ARG 8 1HG ARG 8 10.644 8.908 14.225 52 HD2 ARG 8 2HD ARG 8 7.942 9.419 15.456 53 HD3 ARG 8 1HD ARG 8 9.455 9.123 16.312 54 HE ARG 8 HE ARG 8 10.251 11.242 15.254 55 HH11 ARG 8 1HH1 ARG 8 6.821 10.697 15.825 56 HH12 ARG 8 2HH1 ARG 8 6.436 12.376 15.899 57 HH21 ARG 8 1HH2 ARG 8 9.727 13.485 15.355 58 HH22 ARG 8 2HH2 ARG 8 8.092 13.970 15.621 59 H VAL 9 H VAL 9 8.113 8.134 9.816 60 HA VAL 9 HA VAL 9 7.727 10.810 8.662 61 HB VAL 9 HB VAL 9 7.872 9.992 6.395 62 HG11 VAL 9 1HG1 VAL 9 10.290 9.174 7.987 63 HG12 VAL 9 2HG1 VAL 9 9.952 10.766 7.309 64 HG13 VAL 9 3HG1 VAL 9 10.259 9.399 6.240 65 HG21 VAL 9 1HG2 VAL 9 7.030 7.737 6.719 66 HG22 VAL 9 2HG2 VAL 9 8.511 7.285 7.565 67 HG23 VAL 9 3HG2 VAL 9 8.565 7.701 5.852 68 H ARG 10 H ARG 10 5.822 10.777 7.108 69 HA ARG 10 HA ARG 10 3.757 9.014 8.219 70 HB2 ARG 10 2HB ARG 10 3.335 11.429 8.529 71 HB3 ARG 10 1HB ARG 10 3.399 11.652 6.784 72 HG2 ARG 10 2HG ARG 10 1.480 10.177 6.515 73 HG3 ARG 10 1HG ARG 10 1.419 9.937 8.259 74 HD2 ARG 10 2HD ARG 10 1.087 12.403 8.497 75 HD3 ARG 10 1HD ARG 10 0.939 12.486 6.738 76 HE ARG 10 HE ARG 10 -0.807 10.519 7.747 77 HH11 ARG 10 1HH1 ARG 10 -0.465 14.010 7.520 78 HH12 ARG 10 2HH1 ARG 10 -2.159 14.310 7.713 79 HH21 ARG 10 1HH2 ARG 10 -3.030 10.916 8.013 80 HH22 ARG 10 2HH2 ARG 10 -3.628 12.546 7.984 81 H CYS 11 H CYS 11 2.767 7.600 6.931 82 HA CYS 11 HA CYS 11 2.955 7.961 4.052 83 HB2 CYS 11 2HB CYS 11 4.927 6.612 4.744 84 HB3 CYS 11 1HB CYS 11 3.832 5.414 5.422 85 HG CYS 11 HG CYS 11 3.492 6.247 2.164 86 H SER 12 H SER 12 1.389 6.909 2.894 87 HA SER 12 HA SER 12 -0.735 5.614 4.450 88 HB2 SER 12 2HB SER 12 -0.987 7.112 1.826 89 HB3 SER 12 1HB SER 12 -2.309 6.470 2.803 90 HG SER 12 HG SER 12 -1.040 7.961 4.459 91 H HIS 13 H HIS 13 -1.529 3.644 3.643 92 HA HIS 13 HA HIS 13 -0.129 2.640 1.281 93 HB2 HIS 13 2HB HIS 13 0.514 0.561 2.318 94 HB3 HIS 13 1HB HIS 13 1.157 1.899 3.250 95 HD1 HIS 13 1HD HIS 13 1.148 -0.651 4.735 96 HD2 HIS 13 2HD HIS 13 -2.248 1.761 4.644 97 HE1 HIS 13 1HE HIS 13 -0.218 -1.330 6.718 98 HE2 HIS 13 2HE HIS 13 -2.205 0.192 6.713 99 H LEU 14 H LEU 14 -1.063 1.072 0.122 100 HA LEU 14 HA LEU 14 -3.874 0.433 0.728 101 HB2 LEU 14 2HB LEU 14 -3.442 1.599 -1.422 102 HB3 LEU 14 1HB LEU 14 -2.339 0.319 -1.882 103 HG LEU 14 HG LEU 14 -4.316 -1.267 -1.756 104 HD11 LEU 14 1HD1 LEU 14 -5.869 1.306 -1.764 105 HD12 LEU 14 2HD1 LEU 14 -5.753 0.186 -0.405 106 HD13 LEU 14 3HD1 LEU 14 -6.526 -0.325 -1.906 107 HD21 LEU 14 1HD2 LEU 14 -3.409 -0.500 -3.870 108 HD22 LEU 14 2HD2 LEU 14 -4.386 0.967 -3.777 109 HD23 LEU 14 3HD2 LEU 14 -5.167 -0.605 -3.954 110 H LEU 15 H LEU 15 -4.501 -1.790 0.566 111 HA LEU 15 HA LEU 15 -2.332 -3.690 0.147 112 HB2 LEU 15 2HB LEU 15 -2.305 -3.468 2.516 113 HB3 LEU 15 1HB LEU 15 -4.049 -3.608 2.613 114 HG LEU 15 HG LEU 15 -3.907 -5.961 1.887 115 HD11 LEU 15 1HD1 LEU 15 -0.924 -5.546 2.001 116 HD12 LEU 15 2HD1 LEU 15 -1.885 -5.866 0.557 117 HD13 LEU 15 3HD1 LEU 15 -1.741 -7.098 1.810 118 HD21 LEU 15 1HD2 LEU 15 -3.950 -5.509 4.245 119 HD22 LEU 15 2HD2 LEU 15 -2.207 -5.249 4.270 120 HD23 LEU 15 3HD2 LEU 15 -2.854 -6.855 3.935 121 H VAL 16 H VAL 16 -2.971 -4.899 -1.409 122 HA VAL 16 HA VAL 16 -5.726 -5.869 -1.369 123 HB VAL 16 HB VAL 16 -5.186 -4.713 -3.456 124 HG11 VAL 16 1HG1 VAL 16 -2.952 -6.705 -3.790 125 HG12 VAL 16 2HG1 VAL 16 -2.770 -4.986 -3.450 126 HG13 VAL 16 3HG1 VAL 16 -3.462 -5.512 -4.985 127 HG21 VAL 16 1HG2 VAL 16 -6.698 -6.604 -3.596 128 HG22 VAL 16 2HG2 VAL 16 -5.336 -7.699 -3.835 129 HG23 VAL 16 3HG2 VAL 16 -5.721 -6.491 -5.061 130 H LYS 17 H LYS 17 -5.895 -7.785 -0.458 131 HA LYS 17 HA LYS 17 -3.561 -9.439 -0.117 132 HB2 LYS 17 2HB LYS 17 -6.428 -9.879 0.698 133 HB3 LYS 17 1HB LYS 17 -5.103 -10.958 1.110 134 HG2 LYS 17 2HG LYS 17 -4.034 -9.106 2.341 135 HG3 LYS 17 1HG LYS 17 -5.431 -8.094 1.975 136 HD2 LYS 17 2HD LYS 17 -6.870 -9.789 3.113 137 HD3 LYS 17 1HD LYS 17 -5.402 -10.642 3.592 138 HE2 LYS 17 2HE LYS 17 -4.646 -8.595 4.755 139 HE3 LYS 17 1HE LYS 17 -6.176 -7.826 4.343 140 HZ1 LYS 17 1HZ LYS 17 -5.765 -10.172 6.109 141 HZ2 LYS 17 2HZ LYS 17 -7.284 -9.690 5.568 142 HZ3 LYS 17 3HZ LYS 17 -6.367 -8.654 6.537 143 H HIS 18 H HIS 18 -3.987 -11.903 -0.405 144 HA HIS 18 HA HIS 18 -5.381 -12.485 -2.861 145 HB2 HIS 18 2HB HIS 18 -3.371 -13.501 -3.942 146 HB3 HIS 18 1HB HIS 18 -3.274 -11.755 -3.787 147 HD1 HIS 18 1HD HIS 18 -1.064 -14.374 -3.723 148 HD2 HIS 18 2HD HIS 18 -1.831 -11.359 -0.974 149 HE1 HIS 18 1HE HIS 18 1.030 -14.163 -2.353 150 HE2 HIS 18 2HE HIS 18 0.426 -12.540 -0.528 151 H SER 19 H SER 19 -5.049 -14.854 -3.433 152 HA SER 19 HA SER 19 -6.084 -16.425 -1.431 153 HB2 SER 19 2HB SER 19 -5.226 -18.325 -3.006 154 HB3 SER 19 1HB SER 19 -6.456 -17.195 -3.577 155 HG SER 19 HG SER 19 -5.085 -16.930 -5.152 156 H GLN 20 H GLN 20 -2.700 -16.285 -2.521 157 HA GLN 20 HA GLN 20 -1.909 -18.198 -0.520 158 HB2 GLN 20 2HB GLN 20 -0.227 -16.553 -2.411 159 HB3 GLN 20 1HB GLN 20 0.379 -17.832 -1.368 160 HG2 GLN 20 2HG GLN 20 -1.678 -18.224 -3.531 161 HG3 GLN 20 1HG GLN 20 0.048 -18.524 -3.720 162 HE21 GLN 20 1HE2 GLN 20 -0.278 -20.671 -4.173 163 HE22 GLN 20 2HE2 GLN 20 -0.735 -21.831 -2.978 164 H SER 21 H SER 21 -2.584 -17.113 1.342 165 HA SER 21 HA SER 21 -0.503 -15.434 2.444 166 HB2 SER 21 2HB SER 21 -3.400 -14.538 2.367 167 HB3 SER 21 1HB SER 21 -2.130 -13.764 3.316 168 HG SER 21 HG SER 21 -1.373 -14.089 0.747 169 H ARG 22 H ARG 22 -0.758 -15.245 4.842 170 HA ARG 22 HA ARG 22 -1.385 -17.790 5.904 171 HB2 ARG 22 2HB ARG 22 -0.483 -17.078 7.911 172 HB3 ARG 22 1HB ARG 22 0.328 -16.035 6.762 173 HG2 ARG 22 2HG ARG 22 -2.111 -15.196 8.318 174 HG3 ARG 22 1HG ARG 22 -0.465 -14.937 8.883 175 HD2 ARG 22 2HD ARG 22 -0.028 -13.633 6.808 176 HD3 ARG 22 1HD ARG 22 -1.733 -13.814 6.387 177 HE ARG 22 HE ARG 22 -1.177 -12.677 8.997 178 HH11 ARG 22 1HH1 ARG 22 -1.894 -12.008 5.630 179 HH12 ARG 22 2HH1 ARG 22 -2.470 -10.407 5.936 180 HH21 ARG 22 1HH2 ARG 22 -1.960 -10.564 9.408 181 HH22 ARG 22 2HH2 ARG 22 -2.524 -9.590 8.092 182 H ARG 23 H ARG 23 -3.367 -15.200 5.201 183 HA ARG 23 HA ARG 23 -5.631 -16.505 6.333 184 HB2 ARG 23 2HB ARG 23 -4.663 -15.151 8.254 185 HB3 ARG 23 1HB ARG 23 -5.067 -13.713 7.330 186 HG2 ARG 23 2HG ARG 23 -7.404 -14.248 7.416 187 HG3 ARG 23 1HG ARG 23 -7.058 -15.799 8.185 188 HD2 ARG 23 2HD ARG 23 -6.082 -14.594 10.098 189 HD3 ARG 23 1HD ARG 23 -6.523 -13.067 9.339 190 HE ARG 23 HE ARG 23 -8.823 -14.624 9.517 191 HH11 ARG 23 1HH1 ARG 23 -6.556 -13.032 11.653 192 HH12 ARG 23 2HH1 ARG 23 -7.712 -12.785 12.915 193 HH21 ARG 23 1HH2 ARG 23 -10.369 -14.312 11.193 194 HH22 ARG 23 2HH2 ARG 23 -9.894 -13.512 12.649 195 HA PRO 24 HA PRO 24 -6.514 -14.254 2.450 196 HB2 PRO 24 2HB PRO 24 -8.224 -16.524 1.821 197 HB3 PRO 24 1HB PRO 24 -6.760 -15.985 0.996 198 HG2 PRO 24 2HG PRO 24 -6.888 -18.299 2.426 199 HG3 PRO 24 1HG PRO 24 -5.398 -17.358 2.237 200 HD2 PRO 24 2HD PRO 24 -7.307 -17.442 4.545 201 HD3 PRO 24 1HD PRO 24 -5.529 -17.438 4.549 202 H SER 25 H SER 25 -7.730 -13.217 4.537 203 HA SER 25 HA SER 25 -10.499 -13.034 3.686 204 HB2 SER 25 2HB SER 25 -11.231 -13.099 6.110 205 HB3 SER 25 1HB SER 25 -10.719 -14.645 5.433 206 HG SER 25 HG SER 25 -9.132 -14.708 6.788 207 H SER 26 H SER 26 -11.513 -11.096 4.331 208 HA SER 26 HA SER 26 -10.080 -9.140 5.874 209 HB2 SER 26 2HB SER 26 -10.029 -7.451 4.096 210 HB3 SER 26 1HB SER 26 -9.085 -8.862 3.622 211 HG SER 26 HG SER 26 -10.387 -8.215 1.900 212 H TRP 27 H TRP 27 -11.496 -6.975 5.642 213 HA TRP 27 HA TRP 27 -14.159 -7.746 6.357 214 HB2 TRP 27 2HB TRP 27 -14.542 -5.330 6.706 215 HB3 TRP 27 1HB TRP 27 -13.080 -5.881 7.511 216 HD1 TRP 27 HD TRP 27 -10.738 -4.969 6.560 217 HE1 TRP 27 1HE TRP 27 -10.153 -2.943 5.080 218 HE3 TRP 27 3HE TRP 27 -15.408 -3.906 4.774 219 HZ2 TRP 27 2HZ TRP 27 -11.506 -1.132 3.388 220 HZ3 TRP 27 3HZ TRP 27 -15.674 -2.012 3.233 221 HH2 TRP 27 HH TRP 27 -13.765 -0.653 2.555 222 H ARG 28 H ARG 28 -12.574 -7.083 3.500 223 HA ARG 28 HA ARG 28 -14.877 -6.074 2.047 224 HB2 ARG 28 2HB ARG 28 -12.178 -6.891 0.971 225 HB3 ARG 28 1HB ARG 28 -13.376 -5.879 0.180 226 HG2 ARG 28 2HG ARG 28 -13.028 -4.137 1.837 227 HG3 ARG 28 1HG ARG 28 -11.864 -5.159 2.680 228 HD2 ARG 28 2HD ARG 28 -10.654 -3.603 1.333 229 HD3 ARG 28 1HD ARG 28 -10.498 -5.199 0.603 230 HE ARG 28 HE ARG 28 -12.273 -3.063 -0.369 231 HH11 ARG 28 1HH1 ARG 28 -10.283 -5.911 -0.944 232 HH12 ARG 28 2HH1 ARG 28 -10.489 -5.863 -2.665 233 HH21 ARG 28 1HH2 ARG 28 -12.522 -2.984 -2.643 234 HH22 ARG 28 2HH2 ARG 28 -11.764 -4.176 -3.637 235 H GLN 29 H GLN 29 -12.758 -8.917 2.092 236 HA GLN 29 HA GLN 29 -14.940 -10.521 0.996 237 HB2 GLN 29 2HB GLN 29 -13.456 -9.845 -0.884 238 HB3 GLN 29 1HB GLN 29 -12.097 -10.579 -0.050 239 HG2 GLN 29 2HG GLN 29 -12.996 -12.756 -0.325 240 HG3 GLN 29 1HG GLN 29 -14.542 -12.114 -0.878 241 HE21 GLN 29 1HE2 GLN 29 -14.710 -11.304 -2.961 242 HE22 GLN 29 2HE2 GLN 29 -13.540 -11.648 -4.184 243 H GLU 30 H GLU 30 -15.310 -11.974 2.540 244 HA GLU 30 HA GLU 30 -13.455 -12.613 4.568 245 HB2 GLU 30 2HB GLU 30 -15.902 -12.691 4.883 246 HB3 GLU 30 1HB GLU 30 -15.984 -14.088 3.821 247 HG2 GLU 30 2HG GLU 30 -14.745 -15.421 5.369 248 HG3 GLU 30 1HG GLU 30 -14.412 -14.019 6.384 249 H LYS 31 H LYS 31 -14.225 -14.165 1.536 250 HA LYS 31 HA LYS 31 -12.008 -16.006 2.074 251 HB2 LYS 31 2HB LYS 31 -14.106 -17.252 2.157 252 HB3 LYS 31 1HB LYS 31 -14.546 -16.649 0.565 253 HG2 LYS 31 2HG LYS 31 -12.652 -17.837 -0.413 254 HG3 LYS 31 1HG LYS 31 -12.192 -18.426 1.186 255 HD2 LYS 31 2HD LYS 31 -14.305 -19.622 1.368 256 HD3 LYS 31 1HD LYS 31 -14.810 -18.997 -0.200 257 HE2 LYS 31 2HE LYS 31 -12.426 -20.776 0.301 258 HE3 LYS 31 1HE LYS 31 -13.977 -21.303 -0.347 259 HZ1 LYS 31 1HZ LYS 31 -12.154 -19.342 -1.630 260 HZ2 LYS 31 2HZ LYS 31 -13.628 -19.878 -2.262 261 HZ3 LYS 31 3HZ LYS 31 -12.341 -20.954 -2.092 262 H ILE 32 H ILE 32 -10.516 -14.848 1.037 263 HA ILE 32 HA ILE 32 -10.997 -13.543 -1.433 264 HB ILE 32 HB ILE 32 -8.394 -14.111 -0.015 265 HG12 ILE 32 2HG1 ILE 32 -10.158 -11.653 -0.108 266 HG13 ILE 32 1HG1 ILE 32 -9.990 -12.742 1.264 267 HG21 ILE 32 1HG2 ILE 32 -8.996 -12.224 -2.297 268 HG22 ILE 32 2HG2 ILE 32 -8.031 -13.697 -2.400 269 HG23 ILE 32 3HG2 ILE 32 -7.462 -12.336 -1.433 270 HD11 ILE 32 1HD1 ILE 32 -7.820 -11.045 0.081 271 HD12 ILE 32 2HD1 ILE 32 -7.655 -12.113 1.477 272 HD13 ILE 32 3HD1 ILE 32 -8.714 -10.704 1.562 273 H THR 33 H THR 33 -11.072 -14.370 -3.341 274 HA THR 33 HA THR 33 -9.784 -16.960 -3.852 275 HB THR 33 HB THR 33 -11.428 -17.067 -5.773 276 HG1 THR 33 1HG THR 33 -13.201 -15.633 -5.632 277 HG21 THR 33 1HG2 THR 33 -12.548 -16.880 -2.971 278 HG22 THR 33 2HG2 THR 33 -11.801 -18.304 -3.696 279 HG23 THR 33 3HG2 THR 33 -13.326 -17.688 -4.332 280 H ARG 34 H ARG 34 -9.073 -13.850 -4.270 281 HA ARG 34 HA ARG 34 -8.401 -13.965 -7.096 282 HB2 ARG 34 2HB ARG 34 -7.996 -11.665 -7.005 283 HB3 ARG 34 1HB ARG 34 -9.304 -11.878 -5.851 284 HG2 ARG 34 2HG ARG 34 -7.639 -11.880 -4.024 285 HG3 ARG 34 1HG ARG 34 -6.378 -11.560 -5.213 286 HD2 ARG 34 2HD ARG 34 -6.903 -9.460 -4.344 287 HD3 ARG 34 1HD ARG 34 -7.771 -9.528 -5.874 288 HE ARG 34 HE ARG 34 -9.803 -9.923 -4.637 289 HH11 ARG 34 1HH1 ARG 34 -7.034 -8.974 -2.709 290 HH12 ARG 34 2HH1 ARG 34 -7.977 -8.285 -1.428 291 HH21 ARG 34 1HH2 ARG 34 -11.074 -9.063 -2.925 292 HH22 ARG 34 2HH2 ARG 34 -10.292 -8.374 -1.540 293 H THR 35 H THR 35 -6.342 -14.113 -7.897 294 HA THR 35 HA THR 35 -4.314 -14.931 -5.984 295 HB THR 35 HB THR 35 -4.672 -16.342 -7.999 296 HG1 THR 35 1HG THR 35 -2.283 -16.058 -8.724 297 HG21 THR 35 1HG2 THR 35 -3.882 -15.542 -10.187 298 HG22 THR 35 2HG2 THR 35 -3.626 -13.938 -9.499 299 HG23 THR 35 3HG2 THR 35 -5.255 -14.605 -9.605 300 H LYS 36 H LYS 36 -2.022 -14.168 -6.532 301 HA LYS 36 HA LYS 36 -1.913 -11.376 -6.102 302 HB2 LYS 36 2HB LYS 36 -0.221 -12.894 -5.212 303 HB3 LYS 36 1HB LYS 36 0.270 -13.339 -6.837 304 HG2 LYS 36 2HG LYS 36 0.454 -10.478 -6.013 305 HG3 LYS 36 1HG LYS 36 1.653 -11.620 -5.412 306 HD2 LYS 36 2HD LYS 36 1.010 -11.442 -8.345 307 HD3 LYS 36 1HD LYS 36 2.149 -10.326 -7.600 308 HE2 LYS 36 2HE LYS 36 3.346 -12.190 -8.591 309 HE3 LYS 36 1HE LYS 36 3.504 -12.241 -6.840 310 HZ1 LYS 36 1HZ LYS 36 1.551 -13.884 -8.384 311 HZ2 LYS 36 2HZ LYS 36 1.921 -14.010 -6.736 312 HZ3 LYS 36 3HZ LYS 36 3.075 -14.423 -7.889 313 H GLU 37 H GLU 37 -1.448 -13.372 -8.936 314 HA GLU 37 HA GLU 37 -0.385 -11.521 -10.705 315 HB2 GLU 37 2HB GLU 37 -2.334 -13.755 -11.304 316 HB3 GLU 37 1HB GLU 37 -1.372 -12.908 -12.501 317 HG2 GLU 37 2HG GLU 37 -0.265 -14.945 -12.111 318 HG3 GLU 37 1HG GLU 37 0.672 -13.728 -11.251 319 H GLU 38 H GLU 38 -3.755 -12.138 -9.867 320 HA GLU 38 HA GLU 38 -4.874 -10.290 -11.706 321 HB2 GLU 38 2HB GLU 38 -5.965 -11.436 -9.132 322 HB3 GLU 38 1HB GLU 38 -6.902 -10.485 -10.274 323 HG2 GLU 38 2HG GLU 38 -5.578 -13.111 -10.887 324 HG3 GLU 38 1HG GLU 38 -7.281 -12.898 -10.485 325 H ALA 39 H ALA 39 -4.032 -10.146 -8.286 326 HA ALA 39 HA ALA 39 -5.013 -7.616 -7.684 327 HB1 ALA 39 1HB ALA 39 -3.489 -7.648 -5.787 328 HB2 ALA 39 2HB ALA 39 -2.584 -8.972 -6.521 329 HB3 ALA 39 3HB ALA 39 -4.251 -9.224 -6.003 330 H LEU 40 H LEU 40 -1.934 -8.568 -9.110 331 HA LEU 40 HA LEU 40 -0.641 -6.091 -8.915 332 HB2 LEU 40 2HB LEU 40 0.512 -8.197 -9.428 333 HB3 LEU 40 1HB LEU 40 -0.267 -8.243 -10.996 334 HG LEU 40 HG LEU 40 0.945 -6.230 -11.682 335 HD11 LEU 40 1HD1 LEU 40 2.225 -6.387 -8.957 336 HD12 LEU 40 2HD1 LEU 40 1.144 -5.119 -9.535 337 HD13 LEU 40 3HD1 LEU 40 2.734 -5.323 -10.266 338 HD21 LEU 40 1HD2 LEU 40 1.954 -8.409 -12.102 339 HD22 LEU 40 2HD2 LEU 40 2.738 -8.362 -10.523 340 HD23 LEU 40 3HD2 LEU 40 3.191 -7.198 -11.769 341 H GLU 41 H GLU 41 -2.814 -7.371 -11.400 342 HA GLU 41 HA GLU 41 -2.442 -5.301 -13.277 343 HB2 GLU 41 2HB GLU 41 -4.881 -7.016 -12.780 344 HB3 GLU 41 1HB GLU 41 -4.654 -5.980 -14.179 345 HG2 GLU 41 2HG GLU 41 -2.997 -8.379 -13.440 346 HG3 GLU 41 1HG GLU 41 -4.178 -8.276 -14.742 347 H LEU 42 H LEU 42 -4.707 -5.684 -10.591 348 HA LEU 42 HA LEU 42 -6.137 -3.292 -10.991 349 HB2 LEU 42 2HB LEU 42 -5.653 -5.014 -8.577 350 HB3 LEU 42 1HB LEU 42 -6.494 -3.487 -8.418 351 HG LEU 42 HG LEU 42 -8.196 -4.331 -10.055 352 HD11 LEU 42 1HD1 LEU 42 -6.761 -6.949 -9.671 353 HD12 LEU 42 2HD1 LEU 42 -6.861 -6.024 -11.168 354 HD13 LEU 42 3HD1 LEU 42 -8.318 -6.731 -10.469 355 HD21 LEU 42 1HD2 LEU 42 -8.610 -4.381 -7.664 356 HD22 LEU 42 2HD2 LEU 42 -7.802 -5.944 -7.541 357 HD23 LEU 42 3HD2 LEU 42 -9.309 -5.799 -8.445 358 H ILE 43 H ILE 43 -3.261 -4.033 -9.077 359 HA ILE 43 HA ILE 43 -2.901 -1.541 -7.877 360 HB ILE 43 HB ILE 43 -0.839 -3.596 -8.693 361 HG12 ILE 43 2HG1 ILE 43 -2.460 -4.398 -7.054 362 HG13 ILE 43 1HG1 ILE 43 -0.881 -4.200 -6.305 363 HG21 ILE 43 1HG2 ILE 43 -0.502 -1.186 -6.913 364 HG22 ILE 43 2HG2 ILE 43 0.271 -1.456 -8.474 365 HG23 ILE 43 3HG2 ILE 43 0.676 -2.482 -7.098 366 HD11 ILE 43 1HD1 ILE 43 -3.234 -2.338 -6.055 367 HD12 ILE 43 2HD1 ILE 43 -1.637 -2.048 -5.369 368 HD13 ILE 43 3HD1 ILE 43 -2.598 -3.417 -4.815 369 H ASN 44 H ASN 44 -1.515 -2.772 -10.922 370 HA ASN 44 HA ASN 44 -0.140 -0.429 -11.623 371 HB2 ASN 44 2HB ASN 44 -1.371 -2.537 -13.402 372 HB3 ASN 44 1HB ASN 44 -0.295 -1.269 -13.977 373 HD21 ASN 44 1HD2 ASN 44 0.042 -4.116 -14.109 374 HD22 ASN 44 2HD2 ASN 44 1.497 -4.490 -13.258 375 H GLY 45 H GLY 45 -3.469 -1.416 -12.128 376 HA2 GLY 45 2HA GLY 45 -4.271 0.668 -13.826 377 HA3 GLY 45 1HA GLY 45 -5.329 -0.238 -12.753 378 H TYR 46 H TYR 46 -4.163 0.449 -10.293 379 HA TYR 46 HA TYR 46 -5.313 3.011 -9.836 380 HB2 TYR 46 2HB TYR 46 -3.450 1.444 -8.033 381 HB3 TYR 46 1HB TYR 46 -4.463 2.794 -7.546 382 HD1 TYR 46 1HD TYR 46 -4.229 -0.353 -6.803 383 HD2 TYR 46 2HD TYR 46 -7.023 2.096 -8.872 384 HE1 TYR 46 1HE TYR 46 -6.017 -1.943 -6.254 385 HE2 TYR 46 2HE TYR 46 -8.821 0.511 -8.325 386 HH TYR 46 HH TYR 46 -8.443 -1.968 -6.032 387 H ILE 47 H ILE 47 -2.020 1.790 -10.092 388 HA ILE 47 HA ILE 47 -0.574 4.047 -9.447 389 HB ILE 47 HB ILE 47 0.031 1.890 -11.475 390 HG12 ILE 47 2HG1 ILE 47 1.056 2.378 -8.671 391 HG13 ILE 47 1HG1 ILE 47 -0.139 1.171 -9.132 392 HG21 ILE 47 1HG2 ILE 47 1.910 4.019 -10.448 393 HG22 ILE 47 2HG2 ILE 47 1.300 3.874 -12.096 394 HG23 ILE 47 3HG2 ILE 47 2.369 2.634 -11.439 395 HD11 ILE 47 1HD1 ILE 47 2.732 1.248 -10.029 396 HD12 ILE 47 2HD1 ILE 47 1.541 0.033 -10.487 397 HD13 ILE 47 3HD1 ILE 47 2.050 0.177 -8.806 398 H GLN 48 H GLN 48 -1.898 3.127 -12.603 399 HA GLN 48 HA GLN 48 -0.886 5.296 -14.067 400 HB2 GLN 48 2HB GLN 48 -3.452 3.765 -14.527 401 HB3 GLN 48 1HB GLN 48 -2.653 4.792 -15.704 402 HG2 GLN 48 2HG GLN 48 -1.646 2.201 -14.562 403 HG3 GLN 48 1HG GLN 48 -2.161 2.516 -16.217 404 HE21 GLN 48 1HE2 GLN 48 0.351 2.883 -13.883 405 HE22 GLN 48 2HE2 GLN 48 1.574 3.434 -14.973 406 H LYS 49 H LYS 49 -3.872 4.905 -12.251 407 HA LYS 49 HA LYS 49 -5.053 7.367 -12.999 408 HB2 LYS 49 2HB LYS 49 -5.530 5.600 -10.602 409 HB3 LYS 49 1HB LYS 49 -6.537 6.972 -11.041 410 HG2 LYS 49 2HG LYS 49 -7.193 5.913 -13.080 411 HG3 LYS 49 1HG LYS 49 -6.048 4.598 -12.811 412 HD2 LYS 49 2HD LYS 49 -7.282 3.910 -10.829 413 HD3 LYS 49 1HD LYS 49 -8.411 5.250 -11.054 414 HE2 LYS 49 2HE LYS 49 -9.313 3.122 -11.888 415 HE3 LYS 49 1HE LYS 49 -9.135 4.322 -13.168 416 HZ1 LYS 49 1HZ LYS 49 -7.315 2.040 -12.621 417 HZ2 LYS 49 2HZ LYS 49 -7.027 3.232 -13.782 418 HZ3 LYS 49 3HZ LYS 49 -8.356 2.207 -13.939 419 H ILE 50 H ILE 50 -3.075 6.388 -10.252 420 HA ILE 50 HA ILE 50 -3.336 8.842 -8.860 421 HB ILE 50 HB ILE 50 -1.189 6.723 -8.610 422 HG12 ILE 50 2HG1 ILE 50 -3.677 7.175 -6.948 423 HG13 ILE 50 1HG1 ILE 50 -3.541 5.966 -8.220 424 HG21 ILE 50 1HG2 ILE 50 -1.947 8.958 -6.724 425 HG22 ILE 50 2HG2 ILE 50 -0.461 8.857 -7.668 426 HG23 ILE 50 3HG2 ILE 50 -0.774 7.683 -6.390 427 HD11 ILE 50 1HD1 ILE 50 -1.932 6.076 -5.680 428 HD12 ILE 50 2HD1 ILE 50 -1.730 4.886 -6.965 429 HD13 ILE 50 3HD1 ILE 50 -3.240 4.953 -6.056 430 H LYS 51 H LYS 51 -0.829 7.564 -11.036 431 HA LYS 51 HA LYS 51 0.891 9.798 -10.722 432 HB2 LYS 51 2HB LYS 51 0.760 7.721 -12.905 433 HB3 LYS 51 1HB LYS 51 2.018 8.941 -12.786 434 HG2 LYS 51 2HG LYS 51 1.430 6.899 -10.652 435 HG3 LYS 51 1HG LYS 51 2.663 6.712 -11.895 436 HD2 LYS 51 2HD LYS 51 2.688 9.161 -10.177 437 HD3 LYS 51 1HD LYS 51 3.275 7.643 -9.508 438 HE2 LYS 51 2HE LYS 51 5.140 8.878 -10.409 439 HE3 LYS 51 1HE LYS 51 4.854 7.459 -11.411 440 HZ1 LYS 51 1HZ LYS 51 3.928 10.205 -12.066 441 HZ2 LYS 51 2HZ LYS 51 3.809 8.842 -13.064 442 HZ3 LYS 51 3HZ LYS 51 5.319 9.486 -12.687 443 H SER 52 H SER 52 -1.627 9.059 -13.109 444 HA SER 52 HA SER 52 -1.010 11.432 -14.615 445 HB2 SER 52 2HB SER 52 -1.828 9.511 -15.822 446 HB3 SER 52 1HB SER 52 -3.284 9.450 -14.831 447 HG SER 52 HG SER 52 -4.157 10.941 -16.000 448 H GLY 53 H GLY 53 -3.298 10.524 -12.117 449 HA2 GLY 53 2HA GLY 53 -4.075 12.231 -10.624 450 HA3 GLY 53 1HA GLY 53 -4.038 13.364 -11.963 451 H GLU 54 H GLU 54 -5.453 10.145 -12.181 452 HA GLU 54 HA GLU 54 -7.993 11.312 -12.914 453 HB2 GLU 54 2HB GLU 54 -7.033 8.468 -12.683 454 HB3 GLU 54 1HB GLU 54 -8.725 8.843 -12.953 455 HG2 GLU 54 2HG GLU 54 -7.732 8.335 -15.048 456 HG3 GLU 54 1HG GLU 54 -8.059 10.065 -15.010 457 H GLU 55 H GLU 55 -6.871 9.159 -10.314 458 HA GLU 55 HA GLU 55 -9.086 10.155 -8.672 459 HB2 GLU 55 2HB GLU 55 -8.219 7.269 -8.920 460 HB3 GLU 55 1HB GLU 55 -9.363 7.871 -7.729 461 HG2 GLU 55 2HG GLU 55 -10.833 8.610 -9.572 462 HG3 GLU 55 1HG GLU 55 -9.706 7.888 -10.719 463 H ASP 56 H ASP 56 -8.722 10.125 -6.429 464 HA ASP 56 HA ASP 56 -5.965 10.607 -5.718 465 HB2 ASP 56 2HB ASP 56 -8.494 10.714 -4.060 466 HB3 ASP 56 1HB ASP 56 -6.902 11.167 -3.473 467 H PHE 57 H PHE 57 -4.696 9.397 -4.415 468 HA PHE 57 HA PHE 57 -5.181 6.641 -4.141 469 HB2 PHE 57 2HB PHE 57 -2.907 7.541 -4.143 470 HB3 PHE 57 1HB PHE 57 -3.233 8.431 -2.661 471 HD1 PHE 57 1HD PHE 57 -2.708 7.481 -0.614 472 HD2 PHE 57 2HD PHE 57 -3.158 4.969 -4.017 473 HE1 PHE 57 1HE PHE 57 -1.944 5.553 0.709 474 HE2 PHE 57 2HE PHE 57 -2.393 3.043 -2.702 475 HZ PHE 57 HZ PHE 57 -1.785 3.331 -0.335 476 H GLU 58 H GLU 58 -5.750 9.390 -2.094 477 HA GLU 58 HA GLU 58 -6.307 8.193 0.352 478 HB2 GLU 58 2HB GLU 58 -7.793 10.542 -0.824 479 HB3 GLU 58 1HB GLU 58 -7.553 10.180 0.879 480 HG2 GLU 58 2HG GLU 58 -5.399 10.941 -1.079 481 HG3 GLU 58 1HG GLU 58 -6.129 12.001 0.124 482 H SER 59 H SER 59 -8.366 8.668 -2.471 483 HA SER 59 HA SER 59 -10.740 7.685 -1.220 484 HB2 SER 59 2HB SER 59 -10.756 9.314 -3.104 485 HB3 SER 59 1HB SER 59 -10.143 8.050 -4.166 486 HG SER 59 HG SER 59 -12.224 7.803 -4.472 487 H LEU 60 H LEU 60 -8.140 6.305 -3.093 488 HA LEU 60 HA LEU 60 -9.504 3.843 -3.651 489 HB2 LEU 60 2HB LEU 60 -6.551 4.451 -3.780 490 HB3 LEU 60 1HB LEU 60 -7.359 3.080 -4.511 491 HG LEU 60 HG LEU 60 -7.737 5.970 -5.300 492 HD11 LEU 60 1HD1 LEU 60 -6.598 5.327 -7.358 493 HD12 LEU 60 2HD1 LEU 60 -6.334 3.709 -6.710 494 HD13 LEU 60 3HD1 LEU 60 -5.562 5.101 -5.949 495 HD21 LEU 60 1HD2 LEU 60 -9.780 4.688 -5.628 496 HD22 LEU 60 2HD2 LEU 60 -8.878 3.445 -6.494 497 HD23 LEU 60 3HD2 LEU 60 -9.029 5.064 -7.177 498 H ALA 61 H ALA 61 -7.033 4.899 -1.353 499 HA ALA 61 HA ALA 61 -6.586 2.345 -0.210 500 HB1 ALA 61 1HB ALA 61 -5.300 3.510 1.468 501 HB2 ALA 61 2HB ALA 61 -6.004 5.050 0.976 502 HB3 ALA 61 3HB ALA 61 -4.947 4.170 -0.129 503 H SER 62 H SER 62 -9.128 4.574 0.220 504 HA SER 62 HA SER 62 -9.764 3.551 2.872 505 HB2 SER 62 2HB SER 62 -11.699 5.218 2.648 506 HB3 SER 62 1HB SER 62 -10.073 5.887 2.759 507 HG SER 62 HG SER 62 -10.179 6.550 0.753 508 H GLN 63 H GLN 63 -10.156 2.365 -0.092 509 HA GLN 63 HA GLN 63 -12.738 1.136 0.599 510 HB2 GLN 63 2HB GLN 63 -11.979 2.184 -2.125 511 HB3 GLN 63 1HB GLN 63 -13.397 1.206 -1.786 512 HG2 GLN 63 2HG GLN 63 -14.264 2.960 -0.332 513 HG3 GLN 63 1HG GLN 63 -12.830 3.935 -0.659 514 HE21 GLN 63 1HE2 GLN 63 -12.581 4.883 -2.668 515 HE22 GLN 63 2HE2 GLN 63 -13.894 5.024 -3.791 516 H PHE 64 H PHE 64 -9.825 0.917 -1.429 517 HA PHE 64 HA PHE 64 -10.434 -1.870 -1.996 518 HB2 PHE 64 2HB PHE 64 -8.231 -0.094 -3.046 519 HB3 PHE 64 1HB PHE 64 -8.540 -1.745 -3.571 520 HD1 PHE 64 1HD PHE 64 -10.809 -2.249 -4.612 521 HD2 PHE 64 2HD PHE 64 -9.335 1.698 -4.035 522 HE1 PHE 64 1HE PHE 64 -12.395 -1.413 -6.297 523 HE2 PHE 64 2HE PHE 64 -10.920 2.541 -5.715 524 HZ PHE 64 HZ PHE 64 -12.452 0.985 -6.849 525 H SER 65 H SER 65 -9.041 -0.487 0.559 526 HA SER 65 HA SER 65 -6.747 -2.248 0.748 527 HB2 SER 65 2HB SER 65 -7.917 -0.310 2.753 528 HB3 SER 65 1HB SER 65 -6.436 -1.232 2.993 529 HG SER 65 HG SER 65 -6.775 1.087 1.737 530 H ASP 66 H ASP 66 -7.006 -4.304 1.278 531 HA ASP 66 HA ASP 66 -9.368 -5.331 2.482 532 HB2 ASP 66 2HB ASP 66 -6.667 -6.520 1.916 533 HB3 ASP 66 1HB ASP 66 -7.885 -7.427 2.801 534 H CYS 67 H CYS 67 -6.534 -3.937 3.744 535 HA CYS 67 HA CYS 67 -6.741 -5.113 6.357 536 HB2 CYS 67 2HB CYS 67 -5.056 -3.237 6.889 537 HB3 CYS 67 1HB CYS 67 -4.546 -4.519 5.800 538 HG CYS 67 HG CYS 67 -4.850 -1.247 5.252 539 H SER 68 H SER 68 -6.843 -3.541 8.277 540 HA SER 68 HA SER 68 -9.396 -2.236 8.072 541 HB2 SER 68 2HB SER 68 -8.786 -3.659 10.013 542 HB3 SER 68 1HB SER 68 -7.565 -2.474 10.466 543 HG SER 68 HG SER 68 -9.693 -1.068 10.185 544 H SER 69 H SER 69 -6.468 -1.147 7.224 545 HA SER 69 HA SER 69 -6.377 1.384 8.524 546 HB2 SER 69 2HB SER 69 -4.669 1.956 6.825 547 HB3 SER 69 1HB SER 69 -4.347 0.414 7.611 548 HG SER 69 HG SER 69 -5.316 0.907 5.005 549 H ALA 70 H ALA 70 -8.179 0.148 5.913 550 HA ALA 70 HA ALA 70 -8.555 2.284 4.216 551 HB1 ALA 70 1HB ALA 70 -10.634 1.276 3.566 552 HB2 ALA 70 2HB ALA 70 -10.717 0.377 5.078 553 HB3 ALA 70 3HB ALA 70 -9.466 -0.003 3.899 554 H LYS 71 H LYS 71 -10.133 1.694 7.329 555 HA LYS 71 HA LYS 71 -12.044 3.736 7.181 556 HB2 LYS 71 2HB LYS 71 -12.181 3.569 9.633 557 HB3 LYS 71 1HB LYS 71 -12.195 1.991 8.861 558 HG2 LYS 71 2HG LYS 71 -9.790 1.754 9.397 559 HG3 LYS 71 1HG LYS 71 -9.865 3.293 10.259 560 HD2 LYS 71 2HD LYS 71 -11.477 2.388 11.817 561 HD3 LYS 71 1HD LYS 71 -11.559 0.879 10.905 562 HE2 LYS 71 2HE LYS 71 -10.155 0.568 12.848 563 HE3 LYS 71 1HE LYS 71 -9.167 0.493 11.394 564 HZ1 LYS 71 1HZ LYS 71 -8.131 1.798 13.149 565 HZ2 LYS 71 2HZ LYS 71 -9.435 2.871 13.152 566 HZ3 LYS 71 3HZ LYS 71 -8.445 2.747 11.791 567 H ALA 72 H ALA 72 -8.658 3.891 7.744 568 HA ALA 72 HA ALA 72 -8.880 6.707 8.562 569 HB1 ALA 72 1HB ALA 72 -6.641 6.481 9.478 570 HB2 ALA 72 2HB ALA 72 -6.548 4.821 8.892 571 HB3 ALA 72 3HB ALA 72 -7.704 5.249 10.154 572 H ARG 73 H ARG 73 -9.045 5.512 5.828 573 HA ARG 73 HA ARG 73 -8.444 6.074 3.716 574 HB2 ARG 73 2HB ARG 73 -7.085 8.321 5.186 575 HB3 ARG 73 1HB ARG 73 -7.028 8.178 3.435 576 HG2 ARG 73 2HG ARG 73 -9.333 8.518 3.218 577 HG3 ARG 73 1HG ARG 73 -9.621 8.219 4.933 578 HD2 ARG 73 2HD ARG 73 -9.758 10.614 4.299 579 HD3 ARG 73 1HD ARG 73 -8.551 10.279 5.533 580 HE ARG 73 HE ARG 73 -7.097 10.216 3.264 581 HH11 ARG 73 1HH1 ARG 73 -9.396 12.530 4.529 582 HH12 ARG 73 2HH1 ARG 73 -8.618 13.900 3.820 583 HH21 ARG 73 1HH2 ARG 73 -6.048 12.016 2.333 584 HH22 ARG 73 2HH2 ARG 73 -6.698 13.613 2.556 585 H GLY 74 H GLY 74 -6.650 4.404 5.554 586 HA2 GLY 74 2HA GLY 74 -4.925 2.965 4.965 587 HA3 GLY 74 1HA GLY 74 -4.670 3.911 3.509 588 H ASP 75 H ASP 75 -4.737 6.106 5.903 589 HA ASP 75 HA ASP 75 -1.882 6.438 5.829 590 HB2 ASP 75 2HB ASP 75 -3.098 8.440 5.682 591 HB3 ASP 75 1HB ASP 75 -4.133 8.016 7.042 592 H LEU 76 H LEU 76 -0.425 6.046 7.363 593 HA LEU 76 HA LEU 76 -1.356 4.695 9.799 594 HB2 LEU 76 2HB LEU 76 1.415 4.840 8.590 595 HB3 LEU 76 1HB LEU 76 1.012 3.989 10.062 596 HG LEU 76 HG LEU 76 1.201 2.321 8.455 597 HD11 LEU 76 1HD1 LEU 76 -1.731 2.958 8.587 598 HD12 LEU 76 2HD1 LEU 76 -0.801 2.058 9.785 599 HD13 LEU 76 3HD1 LEU 76 -1.024 1.400 8.163 600 HD21 LEU 76 1HD2 LEU 76 1.284 3.717 6.475 601 HD22 LEU 76 2HD2 LEU 76 -0.452 4.006 6.583 602 HD23 LEU 76 3HD2 LEU 76 0.152 2.385 6.242 603 H GLY 77 H GLY 77 -0.329 7.691 8.725 604 HA2 GLY 77 2HA GLY 77 0.103 9.609 9.931 605 HA3 GLY 77 1HA GLY 77 0.070 8.654 11.412 606 H ALA 78 H ALA 78 1.990 9.999 11.930 607 HA ALA 78 HA ALA 78 4.401 9.373 10.485 608 HB1 ALA 78 1HB ALA 78 5.524 10.737 12.174 609 HB2 ALA 78 2HB ALA 78 4.036 10.812 13.115 610 HB3 ALA 78 3HB ALA 78 4.114 11.577 11.529 611 H PHE 79 H PHE 79 5.538 7.587 10.788 612 HA PHE 79 HA PHE 79 5.473 6.329 13.435 613 HB2 PHE 79 2HB PHE 79 5.365 4.093 12.407 614 HB3 PHE 79 1HB PHE 79 3.943 5.051 12.027 615 HD1 PHE 79 1HD PHE 79 6.747 3.218 10.718 616 HD2 PHE 79 2HD PHE 79 3.740 6.067 9.745 617 HE1 PHE 79 1HE PHE 79 7.089 2.757 8.326 618 HE2 PHE 79 2HE PHE 79 4.079 5.616 7.357 619 HZ PHE 79 HZ PHE 79 5.754 3.957 6.640 620 H SER 80 H SER 80 7.271 5.012 13.930 621 HA SER 80 HA SER 80 9.719 6.006 12.741 622 HB2 SER 80 2HB SER 80 10.632 4.574 14.750 623 HB3 SER 80 1HB SER 80 9.865 6.132 15.057 624 HG SER 80 HG SER 80 9.180 3.996 16.212 625 H ARG 81 H ARG 81 11.523 4.416 12.418 626 HA ARG 81 HA ARG 81 10.543 2.202 10.863 627 HB2 ARG 81 2HB ARG 81 13.340 3.177 11.406 628 HB3 ARG 81 1HB ARG 81 12.980 1.762 10.430 629 HG2 ARG 81 2HG ARG 81 11.516 3.339 9.046 630 HG3 ARG 81 1HG ARG 81 12.392 4.634 9.864 631 HD2 ARG 81 2HD ARG 81 13.445 4.113 7.743 632 HD3 ARG 81 1HD ARG 81 14.506 3.677 9.082 633 HE ARG 81 HE ARG 81 13.170 1.370 8.557 634 HH11 ARG 81 1HH1 ARG 81 15.042 3.568 6.543 635 HH12 ARG 81 2HH1 ARG 81 15.587 2.319 5.472 636 HH21 ARG 81 1HH2 ARG 81 13.939 -0.275 7.153 637 HH22 ARG 81 2HH2 ARG 81 14.996 0.145 5.848 638 H GLY 82 H GLY 82 11.030 0.044 11.164 639 HA2 GLY 82 2HA GLY 82 11.940 -1.751 12.482 640 HA3 GLY 82 1HA GLY 82 11.839 -0.706 13.897 641 H GLN 83 H GLN 83 9.255 -0.517 11.703 642 HA GLN 83 HA GLN 83 7.572 -2.052 13.577 643 HB2 GLN 83 2HB GLN 83 6.732 0.297 11.871 644 HB3 GLN 83 1HB GLN 83 5.748 -0.536 13.061 645 HG2 GLN 83 2HG GLN 83 8.225 1.079 13.641 646 HG3 GLN 83 1HG GLN 83 6.562 1.609 13.889 647 HE21 GLN 83 1HE2 GLN 83 5.689 -0.998 14.863 648 HE22 GLN 83 2HE2 GLN 83 6.337 -1.151 16.457 649 H MET 84 H MET 84 8.395 -1.429 10.237 650 HA MET 84 HA MET 84 6.446 -3.487 9.422 651 HB2 MET 84 2HB MET 84 7.395 -1.092 7.843 652 HB3 MET 84 1HB MET 84 6.354 -2.360 7.216 653 HG2 MET 84 2HG MET 84 5.679 -0.520 9.503 654 HG3 MET 84 1HG MET 84 5.120 -0.336 7.842 655 HE1 MET 84 1HE MET 84 2.605 -0.215 8.715 656 HE2 MET 84 2HE MET 84 3.182 -0.396 10.372 657 HE3 MET 84 3HE MET 84 1.882 -1.426 9.774 658 H GLN 85 H GLN 85 7.105 -4.421 7.191 659 HA GLN 85 HA GLN 85 9.607 -5.716 7.523 660 HB2 GLN 85 2HB GLN 85 7.743 -5.654 5.147 661 HB3 GLN 85 1HB GLN 85 9.138 -6.713 5.295 662 HG2 GLN 85 2HG GLN 85 6.703 -6.707 7.061 663 HG3 GLN 85 1HG GLN 85 7.114 -7.904 5.836 664 HE21 GLN 85 1HE2 GLN 85 6.656 -8.229 8.690 665 HE22 GLN 85 2HE2 GLN 85 8.091 -8.949 9.326 666 H LYS 86 H LYS 86 11.395 -5.716 6.083 667 HA LYS 86 HA LYS 86 12.591 -3.287 5.720 668 HB2 LYS 86 2HB LYS 86 13.883 -5.310 5.772 669 HB3 LYS 86 1HB LYS 86 13.142 -5.885 4.289 670 HG2 LYS 86 2HG LYS 86 15.355 -5.124 3.798 671 HG3 LYS 86 1HG LYS 86 14.205 -3.995 3.085 672 HD2 LYS 86 2HD LYS 86 14.526 -2.471 4.971 673 HD3 LYS 86 1HD LYS 86 15.664 -3.608 5.697 674 HE2 LYS 86 2HE LYS 86 16.000 -2.247 3.024 675 HE3 LYS 86 1HE LYS 86 16.808 -1.781 4.518 676 HZ1 LYS 86 1HZ LYS 86 17.124 -4.380 3.110 677 HZ2 LYS 86 2HZ LYS 86 17.879 -3.959 4.558 678 HZ3 LYS 86 3HZ LYS 86 18.249 -3.119 3.142 679 HA PRO 87 HA PRO 87 11.701 -3.351 0.875 680 HB2 PRO 87 2HB PRO 87 9.286 -4.583 0.264 681 HB3 PRO 87 1HB PRO 87 10.882 -5.294 0.011 682 HG2 PRO 87 2HG PRO 87 8.967 -5.689 2.276 683 HG3 PRO 87 1HG PRO 87 9.977 -6.885 1.441 684 HD2 PRO 87 2HD PRO 87 10.676 -5.952 3.830 685 HD3 PRO 87 1HD PRO 87 11.901 -6.229 2.573 686 H PHE 88 H PHE 88 8.932 -3.457 3.069 687 HA PHE 88 HA PHE 88 7.533 -1.362 1.701 688 HB2 PHE 88 2HB PHE 88 6.288 -3.097 2.882 689 HB3 PHE 88 1HB PHE 88 7.049 -2.643 4.399 690 HD1 PHE 88 1HD PHE 88 6.363 -0.642 5.587 691 HD2 PHE 88 2HD PHE 88 4.534 -1.748 1.908 692 HE1 PHE 88 1HE PHE 88 4.537 0.943 6.026 693 HE2 PHE 88 2HE PHE 88 2.704 -0.161 2.341 694 HZ PHE 88 HZ PHE 88 2.707 1.186 4.403 695 H GLU 89 H GLU 89 9.160 -1.628 4.830 696 HA GLU 89 HA GLU 89 8.653 0.998 5.669 697 HB2 GLU 89 2HB GLU 89 9.251 -0.938 7.103 698 HB3 GLU 89 1HB GLU 89 10.900 -0.804 6.518 699 HG2 GLU 89 2HG GLU 89 11.059 1.429 7.460 700 HG3 GLU 89 1HG GLU 89 9.399 1.299 8.045 701 H ASP 90 H ASP 90 11.559 -0.424 4.164 702 HA ASP 90 HA ASP 90 13.085 1.954 4.382 703 HB2 ASP 90 2HB ASP 90 14.056 -0.331 4.037 704 HB3 ASP 90 1HB ASP 90 13.504 -0.259 2.366 705 H ALA 91 H ALA 91 10.818 0.807 2.020 706 HA ALA 91 HA ALA 91 11.519 2.734 0.028 707 HB1 ALA 91 1HB ALA 91 9.483 2.014 -1.109 708 HB2 ALA 91 2HB ALA 91 8.996 1.108 0.324 709 HB3 ALA 91 3HB ALA 91 10.433 0.626 -0.576 710 H ALA 92 H ALA 92 9.040 2.493 2.543 711 HA ALA 92 HA ALA 92 7.525 4.746 1.897 712 HB1 ALA 92 1HB ALA 92 6.733 4.693 4.197 713 HB2 ALA 92 2HB ALA 92 8.075 3.641 4.650 714 HB3 ALA 92 3HB ALA 92 6.835 3.060 3.538 715 H PHE 93 H PHE 93 10.592 4.518 3.513 716 HA PHE 93 HA PHE 93 10.518 7.341 4.260 717 HB2 PHE 93 2HB PHE 93 12.443 5.102 4.887 718 HB3 PHE 93 1HB PHE 93 12.783 6.778 5.293 719 HD1 PHE 93 1HD PHE 93 10.068 4.242 5.730 720 HD2 PHE 93 2HD PHE 93 12.236 7.498 7.400 721 HE1 PHE 93 1HE PHE 93 8.836 3.973 7.840 722 HE2 PHE 93 2HE PHE 93 11.006 7.237 9.514 723 HZ PHE 93 HZ PHE 93 9.303 5.471 9.736 724 H ALA 94 H ALA 94 11.066 5.888 1.451 725 HA ALA 94 HA ALA 94 13.504 7.428 0.839 726 HB1 ALA 94 1HB ALA 94 13.938 5.881 -0.965 727 HB2 ALA 94 2HB ALA 94 12.430 5.032 -0.629 728 HB3 ALA 94 3HB ALA 94 13.736 5.010 0.555 729 H LEU 95 H LEU 95 10.147 7.228 0.109 730 HA LEU 95 HA LEU 95 10.416 8.421 -2.497 731 HB2 LEU 95 2HB LEU 95 8.056 7.707 -0.801 732 HB3 LEU 95 1HB LEU 95 7.848 8.773 -2.172 733 HG LEU 95 HG LEU 95 7.260 6.617 -2.927 734 HD11 LEU 95 1HD1 LEU 95 10.099 6.995 -3.841 735 HD12 LEU 95 2HD1 LEU 95 8.722 7.912 -4.443 736 HD13 LEU 95 3HD1 LEU 95 8.797 6.169 -4.697 737 HD21 LEU 95 1HD2 LEU 95 8.199 5.284 -1.155 738 HD22 LEU 95 2HD2 LEU 95 9.831 5.625 -1.726 739 HD23 LEU 95 3HD2 LEU 95 8.736 4.663 -2.717 740 H ARG 96 H ARG 96 9.418 10.440 -3.105 741 HA ARG 96 HA ARG 96 10.229 12.544 -1.255 742 HB2 ARG 96 2HB ARG 96 10.075 14.019 -3.228 743 HB3 ARG 96 1HB ARG 96 11.105 12.627 -3.535 744 HG2 ARG 96 2HG ARG 96 9.292 11.535 -4.737 745 HG3 ARG 96 1HG ARG 96 8.240 12.907 -4.400 746 HD2 ARG 96 2HD ARG 96 9.646 14.357 -5.727 747 HD3 ARG 96 1HD ARG 96 10.799 13.045 -5.987 748 HE ARG 96 HE ARG 96 8.601 11.942 -6.980 749 HH11 ARG 96 1HH1 ARG 96 9.833 15.194 -7.488 750 HH12 ARG 96 2HH1 ARG 96 9.138 15.325 -9.066 751 HH21 ARG 96 1HH2 ARG 96 7.701 12.125 -9.008 752 HH22 ARG 96 2HH2 ARG 96 7.913 13.571 -9.947 753 H THR 97 H THR 97 8.756 14.670 -1.994 754 HA THR 97 HA THR 97 6.370 14.424 -0.545 755 HB THR 97 HB THR 97 7.062 16.589 -2.545 756 HG1 THR 97 1HG THR 97 7.935 16.083 0.107 757 HG21 THR 97 1HG2 THR 97 5.373 16.629 -0.033 758 HG22 THR 97 2HG2 THR 97 4.762 16.680 -1.688 759 HG23 THR 97 3HG2 THR 97 5.722 18.019 -1.060 760 H GLY 98 H GLY 98 4.532 13.466 -1.169 761 HA2 GLY 98 2HA GLY 98 2.734 12.831 -2.437 762 HA3 GLY 98 1HA GLY 98 3.125 14.174 -3.500 763 H GLU 99 H GLU 99 4.888 11.209 -2.693 764 HA GLU 99 HA GLU 99 4.801 10.538 -5.549 765 HB2 GLU 99 2HB GLU 99 7.009 11.417 -4.863 766 HB3 GLU 99 1HB GLU 99 7.145 10.110 -3.697 767 HG2 GLU 99 2HG GLU 99 8.417 9.633 -5.706 768 HG3 GLU 99 1HG GLU 99 7.096 8.482 -5.506 769 H MET 100 H MET 100 4.773 8.380 -6.081 770 HA MET 100 HA MET 100 3.896 6.602 -3.909 771 HB2 MET 100 2HB MET 100 2.085 7.079 -5.408 772 HB3 MET 100 1HB MET 100 3.093 6.743 -6.807 773 HG2 MET 100 2HG MET 100 3.215 4.391 -6.141 774 HG3 MET 100 1HG MET 100 2.175 4.739 -4.762 775 HE1 MET 100 1HE MET 100 0.760 5.374 -9.096 776 HE2 MET 100 2HE MET 100 2.433 5.029 -8.658 777 HE3 MET 100 3HE MET 100 1.692 6.557 -8.186 778 H SER 101 H SER 101 4.914 4.726 -3.639 779 HA SER 101 HA SER 101 7.387 4.224 -4.961 780 HB2 SER 101 2HB SER 101 6.922 3.621 -2.586 781 HB3 SER 101 1HB SER 101 5.799 2.390 -3.158 782 HG SER 101 HG SER 101 7.556 1.220 -3.034 783 H GLY 102 H GLY 102 4.167 2.794 -5.161 784 HA2 GLY 102 2HA GLY 102 3.453 1.949 -7.330 785 HA3 GLY 102 1HA GLY 102 5.078 1.296 -7.522 786 HA PRO 103 HA PRO 103 2.713 -2.177 -5.795 787 HB2 PRO 103 2HB PRO 103 4.029 -3.985 -7.532 788 HB3 PRO 103 1HB PRO 103 2.400 -3.339 -7.716 789 HG2 PRO 103 2HG PRO 103 4.585 -2.800 -9.388 790 HG3 PRO 103 1HG PRO 103 3.060 -1.902 -9.344 791 HD2 PRO 103 2HD PRO 103 5.690 -1.245 -8.107 792 HD3 PRO 103 1HD PRO 103 4.444 -0.163 -8.767 793 H VAL 104 H VAL 104 3.731 -2.315 -3.818 794 HA VAL 104 HA VAL 104 6.401 -3.504 -3.722 795 HB VAL 104 HB VAL 104 4.671 -2.438 -1.471 796 HG11 VAL 104 1HG1 VAL 104 7.568 -3.290 -1.471 797 HG12 VAL 104 2HG1 VAL 104 6.234 -4.147 -0.700 798 HG13 VAL 104 3HG1 VAL 104 6.711 -2.553 -0.116 799 HG21 VAL 104 1HG2 VAL 104 5.370 -0.669 -2.994 800 HG22 VAL 104 2HG2 VAL 104 7.048 -1.199 -2.859 801 HG23 VAL 104 3HG2 VAL 104 6.216 -0.536 -1.453 802 H PHE 105 H PHE 105 6.473 -5.628 -3.751 803 HA PHE 105 HA PHE 105 4.156 -7.204 -3.150 804 HB2 PHE 105 2HB PHE 105 6.959 -8.038 -3.906 805 HB3 PHE 105 1HB PHE 105 5.573 -9.118 -3.799 806 HD1 PHE 105 1HD PHE 105 3.735 -8.938 -5.425 807 HD2 PHE 105 2HD PHE 105 7.271 -6.596 -5.781 808 HE1 PHE 105 1HE PHE 105 3.163 -8.435 -7.765 809 HE2 PHE 105 2HE PHE 105 6.704 -6.090 -8.120 810 HZ PHE 105 HZ PHE 105 4.649 -7.010 -9.113 811 H THR 106 H THR 106 3.653 -8.138 -1.321 812 HA THR 106 HA THR 106 5.737 -8.665 0.657 813 HB THR 106 HB THR 106 4.036 -7.975 2.440 814 HG1 THR 106 1HG THR 106 2.689 -7.308 0.140 815 HG21 THR 106 1HG2 THR 106 5.146 -5.796 0.661 816 HG22 THR 106 2HG2 THR 106 6.044 -6.643 1.919 817 HG23 THR 106 3HG2 THR 106 4.679 -5.616 2.352 818 H ASP 107 H ASP 107 4.572 -9.967 2.546 819 HA ASP 107 HA ASP 107 3.861 -12.441 1.438 820 HB2 ASP 107 2HB ASP 107 3.371 -11.494 4.268 821 HB3 ASP 107 1HB ASP 107 3.410 -13.164 3.723 822 H SER 108 H SER 108 1.843 -10.101 3.200 823 HA SER 108 HA SER 108 -0.542 -11.593 2.862 824 HB2 SER 108 2HB SER 108 -0.212 -10.038 4.737 825 HB3 SER 108 1HB SER 108 -0.213 -8.684 3.608 826 HG SER 108 HG SER 108 -2.371 -9.698 2.974 827 H GLY 109 H GLY 109 1.120 -9.537 0.702 828 HA2 GLY 109 2HA GLY 109 -0.315 -9.946 -1.505 829 HA3 GLY 109 1HA GLY 109 -1.299 -8.738 -0.697 830 H ILE 110 H ILE 110 -1.007 -7.159 -2.195 831 HA ILE 110 HA ILE 110 1.757 -6.229 -2.557 832 HB ILE 110 HB ILE 110 -0.628 -5.654 -4.334 833 HG12 ILE 110 2HG1 ILE 110 1.702 -7.526 -4.815 834 HG13 ILE 110 1HG1 ILE 110 0.089 -8.046 -4.347 835 HG21 ILE 110 1HG2 ILE 110 2.320 -5.088 -4.679 836 HG22 ILE 110 2HG2 ILE 110 1.051 -3.895 -4.410 837 HG23 ILE 110 3HG2 ILE 110 1.086 -4.822 -5.909 838 HD11 ILE 110 1HD1 ILE 110 0.818 -6.604 -6.883 839 HD12 ILE 110 2HD1 ILE 110 -0.803 -7.122 -6.417 840 HD13 ILE 110 3HD1 ILE 110 0.452 -8.321 -6.723 841 H HIS 111 H HIS 111 2.291 -4.244 -1.919 842 HA HIS 111 HA HIS 111 0.158 -2.583 -0.747 843 HB2 HIS 111 2HB HIS 111 3.004 -3.053 0.066 844 HB3 HIS 111 1HB HIS 111 2.185 -1.568 0.519 845 HD1 HIS 111 1HD HIS 111 -0.237 -2.107 1.802 846 HD2 HIS 111 2HD HIS 111 2.744 -4.991 1.902 847 HE1 HIS 111 1HE HIS 111 -0.727 -3.519 3.828 848 HE2 HIS 111 2HE HIS 111 1.052 -5.297 3.827 849 H ILE 112 H ILE 112 -0.073 -0.557 -1.431 850 HA ILE 112 HA ILE 112 1.962 0.537 -3.233 851 HB ILE 112 HB ILE 112 -0.874 1.484 -2.709 852 HG12 ILE 112 2HG1 ILE 112 0.397 0.134 -5.101 853 HG13 ILE 112 1HG1 ILE 112 -0.850 -0.532 -4.051 854 HG21 ILE 112 1HG2 ILE 112 1.192 2.574 -4.618 855 HG22 ILE 112 2HG2 ILE 112 0.599 3.368 -3.158 856 HG23 ILE 112 3HG2 ILE 112 -0.491 3.095 -4.518 857 HD11 ILE 112 1HD1 ILE 112 -1.148 1.802 -5.931 858 HD12 ILE 112 2HD1 ILE 112 -2.397 1.221 -4.832 859 HD13 ILE 112 3HD1 ILE 112 -1.823 0.186 -6.138 860 H ILE 113 H ILE 113 3.213 2.174 -2.558 861 HA ILE 113 HA ILE 113 2.711 3.190 0.154 862 HB ILE 113 HB ILE 113 5.293 2.903 -1.379 863 HG12 ILE 113 2HG1 ILE 113 4.290 1.552 1.130 864 HG13 ILE 113 1HG1 ILE 113 4.411 0.811 -0.462 865 HG21 ILE 113 1HG2 ILE 113 4.867 4.046 1.371 866 HG22 ILE 113 2HG2 ILE 113 5.363 4.940 -0.066 867 HG23 ILE 113 3HG2 ILE 113 6.427 3.712 0.620 868 HD11 ILE 113 1HD1 ILE 113 6.694 1.795 1.230 869 HD12 ILE 113 2HD1 ILE 113 6.845 1.119 -0.391 870 HD13 ILE 113 3HD1 ILE 113 6.245 0.116 0.931 871 H LEU 114 H LEU 114 2.107 5.213 0.323 872 HA LEU 114 HA LEU 114 2.922 7.142 -1.749 873 HB2 LEU 114 2HB LEU 114 0.437 6.548 -1.538 874 HB3 LEU 114 1HB LEU 114 0.477 7.328 0.024 875 HG LEU 114 HG LEU 114 -0.502 8.727 -1.784 876 HD11 LEU 114 1HD1 LEU 114 2.007 9.844 -0.560 877 HD12 LEU 114 2HD1 LEU 114 0.402 9.817 0.170 878 HD13 LEU 114 3HD1 LEU 114 0.697 10.788 -1.271 879 HD21 LEU 114 1HD2 LEU 114 0.948 9.727 -3.462 880 HD22 LEU 114 2HD2 LEU 114 0.902 7.972 -3.627 881 HD23 LEU 114 3HD2 LEU 114 2.301 8.753 -2.889 882 H ARG 115 H ARG 115 4.313 8.622 -1.021 883 HA ARG 115 HA ARG 115 4.507 9.072 1.879 884 HB2 ARG 115 2HB ARG 115 6.574 8.315 0.849 885 HB3 ARG 115 1HB ARG 115 6.490 9.603 -0.340 886 HG2 ARG 115 2HG ARG 115 8.140 10.086 1.382 887 HG3 ARG 115 1HG ARG 115 6.828 11.263 1.407 888 HD2 ARG 115 2HD ARG 115 5.818 10.138 3.309 889 HD3 ARG 115 1HD ARG 115 7.057 8.883 3.253 890 HE ARG 115 HE ARG 115 8.681 10.666 3.770 891 HH11 ARG 115 1HH1 ARG 115 5.310 11.116 4.684 892 HH12 ARG 115 2HH1 ARG 115 5.663 12.343 5.859 893 HH21 ARG 115 1HH2 ARG 115 9.150 12.208 5.373 894 HH22 ARG 115 2HH2 ARG 115 7.870 12.926 6.289 895 H THR 116 H THR 116 3.995 10.988 2.740 896 HA THR 116 HA THR 116 2.849 12.964 0.993 897 HB THR 116 HB THR 116 2.244 14.055 3.230 898 HG1 THR 116 1HG THR 116 3.105 13.157 4.916 899 HG21 THR 116 1HG2 THR 116 1.260 11.265 2.605 900 HG22 THR 116 2HG2 THR 116 0.654 12.759 1.892 901 HG23 THR 116 3HG2 THR 116 0.423 12.445 3.613 902 H GLU 117 H GLU 117 5.250 13.144 3.684 903 HA GLU 117 HA GLU 117 6.012 15.797 2.809 904 HB2 GLU 117 2HB GLU 117 7.078 14.113 5.082 905 HB3 GLU 117 1HB GLU 117 7.620 15.741 4.722 906 HG2 GLU 117 2HG GLU 117 6.111 15.981 6.480 907 HG3 GLU 117 1HG GLU 117 5.198 16.449 5.049 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 25.767 16.997 -0.908 2 H2 GLY 1 2HT GLY 1 26.774 15.945 -1.755 3 H3 GLY 1 3HT GLY 1 27.355 17.452 -1.249 4 HA2 GLY 1 1HA GLY 1 28.198 15.719 0.173 5 HA3 GLY 1 2HA GLY 1 27.128 16.807 1.049 6 H SER 2 H SER 2 27.382 14.601 2.318 7 HA SER 2 HA SER 2 25.598 12.537 1.409 8 HB2 SER 2 2HB SER 2 26.975 12.884 4.079 9 HB3 SER 2 1HB SER 2 26.175 11.419 3.509 10 HG SER 2 HG SER 2 28.339 12.651 2.141 11 H HIS 3 H HIS 3 23.497 13.159 1.355 12 HA HIS 3 HA HIS 3 22.371 14.694 3.543 13 HB2 HIS 3 2HB HIS 3 21.210 13.650 0.962 14 HB3 HIS 3 1HB HIS 3 20.220 14.402 2.201 15 HD1 HIS 3 1HD HIS 3 19.887 16.824 1.916 16 HD2 HIS 3 2HD HIS 3 23.374 15.531 0.068 17 HE1 HIS 3 1HE HIS 3 20.802 18.839 0.718 18 HE2 HIS 3 2HE HIS 3 22.811 17.979 -0.537 19 H MET 4 H MET 4 20.908 13.964 5.026 20 HA MET 4 HA MET 4 20.583 11.055 5.139 21 HB2 MET 4 2HB MET 4 20.479 11.207 7.537 22 HB3 MET 4 1HB MET 4 21.918 12.051 6.993 23 HG2 MET 4 2HG MET 4 19.324 13.360 7.797 24 HG3 MET 4 1HG MET 4 20.756 13.220 8.811 25 HE1 MET 4 1HE MET 4 20.666 15.833 9.242 26 HE2 MET 4 2HE MET 4 19.249 15.983 8.204 27 HE3 MET 4 3HE MET 4 20.638 17.042 7.960 28 H GLU 5 H GLU 5 18.598 10.196 5.430 29 HA GLU 5 HA GLU 5 16.353 11.934 4.880 30 HB2 GLU 5 2HB GLU 5 16.597 8.924 5.130 31 HB3 GLU 5 1HB GLU 5 15.073 9.741 4.829 32 HG2 GLU 5 2HG GLU 5 15.896 8.924 2.748 33 HG3 GLU 5 1HG GLU 5 16.064 10.676 2.738 34 HA PRO 6 HA PRO 6 14.769 12.354 8.984 35 HB2 PRO 6 2HB PRO 6 12.142 11.335 8.041 36 HB3 PRO 6 1HB PRO 6 12.537 12.872 8.816 37 HG2 PRO 6 2HG PRO 6 11.982 12.774 6.216 38 HG3 PRO 6 1HG PRO 6 13.255 13.841 6.836 39 HD2 PRO 6 2HD PRO 6 13.504 11.204 5.446 40 HD3 PRO 6 1HD PRO 6 14.486 12.673 5.264 41 H ALA 7 H ALA 7 13.967 11.184 10.826 42 HA ALA 7 HA ALA 7 14.462 8.313 10.604 43 HB1 ALA 7 1HB ALA 7 14.648 8.335 13.027 44 HB2 ALA 7 2HB ALA 7 14.131 10.019 13.069 45 HB3 ALA 7 3HB ALA 7 15.670 9.588 12.323 46 H ARG 8 H ARG 8 11.895 10.519 10.923 47 HA ARG 8 HA ARG 8 10.000 8.312 11.212 48 HB2 ARG 8 2HB ARG 8 10.244 9.282 13.450 49 HB3 ARG 8 1HB ARG 8 9.921 10.882 12.807 50 HG2 ARG 8 2HG ARG 8 7.652 10.218 12.242 51 HG3 ARG 8 1HG ARG 8 7.973 8.583 12.823 52 HD2 ARG 8 2HD ARG 8 8.069 11.102 14.483 53 HD3 ARG 8 1HD ARG 8 6.771 9.911 14.492 54 HE ARG 8 HE ARG 8 9.006 8.461 15.069 55 HH11 ARG 8 1HH1 ARG 8 7.484 11.284 16.495 56 HH12 ARG 8 2HH1 ARG 8 8.071 10.954 18.087 57 HH21 ARG 8 1HH2 ARG 8 9.772 8.022 17.182 58 HH22 ARG 8 2HH2 ARG 8 9.372 9.099 18.477 59 H VAL 9 H VAL 9 8.523 8.413 9.635 60 HA VAL 9 HA VAL 9 7.839 11.038 8.501 61 HB VAL 9 HB VAL 9 7.992 10.212 6.212 62 HG11 VAL 9 1HG1 VAL 9 10.561 9.772 7.721 63 HG12 VAL 9 2HG1 VAL 9 9.955 11.312 7.113 64 HG13 VAL 9 3HG1 VAL 9 10.423 10.041 5.984 65 HG21 VAL 9 1HG2 VAL 9 7.536 7.851 6.624 66 HG22 VAL 9 2HG2 VAL 9 9.110 7.671 7.400 67 HG23 VAL 9 3HG2 VAL 9 9.013 8.052 5.680 68 H ARG 10 H ARG 10 5.838 11.049 7.288 69 HA ARG 10 HA ARG 10 3.999 8.941 8.148 70 HB2 ARG 10 2HB ARG 10 3.279 11.218 8.660 71 HB3 ARG 10 1HB ARG 10 3.471 11.682 6.974 72 HG2 ARG 10 2HG ARG 10 1.725 9.957 6.416 73 HG3 ARG 10 1HG ARG 10 1.438 9.805 8.149 74 HD2 ARG 10 2HD ARG 10 0.834 12.151 8.278 75 HD3 ARG 10 1HD ARG 10 1.208 12.361 6.566 76 HE ARG 10 HE ARG 10 -0.837 10.401 7.321 77 HH11 ARG 10 1HH1 ARG 10 -0.056 13.515 5.879 78 HH12 ARG 10 2HH1 ARG 10 -1.594 13.688 5.113 79 HH21 ARG 10 1HH2 ARG 10 -2.869 10.652 6.312 80 HH22 ARG 10 2HH2 ARG 10 -3.208 12.057 5.364 81 H CYS 11 H CYS 11 3.110 7.572 6.735 82 HA CYS 11 HA CYS 11 3.251 8.180 3.891 83 HB2 CYS 11 2HB CYS 11 4.266 5.593 5.095 84 HB3 CYS 11 1HB CYS 11 4.089 5.915 3.376 85 HG CYS 11 HG CYS 11 6.521 6.830 5.488 86 H SER 12 H SER 12 1.533 7.482 2.783 87 HA SER 12 HA SER 12 -0.529 6.025 4.271 88 HB2 SER 12 2HB SER 12 -0.767 7.463 1.614 89 HB3 SER 12 1HB SER 12 -2.084 6.886 2.637 90 HG SER 12 HG SER 12 -0.532 8.459 4.108 91 H HIS 13 H HIS 13 -1.736 4.290 2.944 92 HA HIS 13 HA HIS 13 -0.077 3.130 0.858 93 HB2 HIS 13 2HB HIS 13 0.547 1.138 1.946 94 HB3 HIS 13 1HB HIS 13 0.892 2.410 3.109 95 HD1 HIS 13 1HD HIS 13 -0.093 -0.830 3.344 96 HD2 HIS 13 2HD HIS 13 -1.963 2.649 4.632 97 HE1 HIS 13 1HE HIS 13 -1.696 -1.547 5.130 98 HE2 HIS 13 2HE HIS 13 -2.909 0.543 5.807 99 H LEU 14 H LEU 14 -0.978 1.435 -0.278 100 HA LEU 14 HA LEU 14 -3.812 0.839 0.255 101 HB2 LEU 14 2HB LEU 14 -2.182 0.538 -2.284 102 HB3 LEU 14 1HB LEU 14 -3.789 -0.115 -2.088 103 HG LEU 14 HG LEU 14 -4.090 1.822 -3.333 104 HD11 LEU 14 1HD1 LEU 14 -5.673 1.657 -1.536 105 HD12 LEU 14 2HD1 LEU 14 -5.332 3.342 -1.925 106 HD13 LEU 14 3HD1 LEU 14 -4.618 2.607 -0.490 107 HD21 LEU 14 1HD2 LEU 14 -1.912 2.819 -3.101 108 HD22 LEU 14 2HD2 LEU 14 -2.245 3.236 -1.421 109 HD23 LEU 14 3HD2 LEU 14 -3.147 4.018 -2.720 110 H LEU 15 H LEU 15 -4.414 -1.343 0.388 111 HA LEU 15 HA LEU 15 -2.175 -3.234 0.448 112 HB2 LEU 15 2HB LEU 15 -2.957 -2.439 2.741 113 HB3 LEU 15 1HB LEU 15 -4.462 -3.269 2.416 114 HG LEU 15 HG LEU 15 -2.829 -4.501 3.888 115 HD11 LEU 15 1HD1 LEU 15 -3.630 -5.889 1.341 116 HD12 LEU 15 2HD1 LEU 15 -4.630 -5.685 2.780 117 HD13 LEU 15 3HD1 LEU 15 -3.174 -6.676 2.853 118 HD21 LEU 15 1HD2 LEU 15 -0.794 -3.874 2.677 119 HD22 LEU 15 2HD2 LEU 15 -1.314 -4.863 1.311 120 HD23 LEU 15 3HD2 LEU 15 -0.950 -5.619 2.861 121 H VAL 16 H VAL 16 -2.554 -4.488 -1.238 122 HA VAL 16 HA VAL 16 -5.299 -5.454 -1.638 123 HB VAL 16 HB VAL 16 -3.018 -5.315 -3.630 124 HG11 VAL 16 1HG1 VAL 16 -5.865 -6.240 -4.016 125 HG12 VAL 16 2HG1 VAL 16 -4.430 -7.265 -4.035 126 HG13 VAL 16 3HG1 VAL 16 -4.663 -6.049 -5.292 127 HG21 VAL 16 1HG2 VAL 16 -4.418 -3.652 -4.769 128 HG22 VAL 16 2HG2 VAL 16 -3.987 -3.132 -3.139 129 HG23 VAL 16 3HG2 VAL 16 -5.602 -3.762 -3.466 130 H LYS 17 H LYS 17 -5.538 -7.345 -0.664 131 HA LYS 17 HA LYS 17 -3.325 -9.095 -0.169 132 HB2 LYS 17 2HB LYS 17 -6.281 -9.533 0.229 133 HB3 LYS 17 1HB LYS 17 -5.035 -10.650 0.746 134 HG2 LYS 17 2HG LYS 17 -4.128 -8.742 2.157 135 HG3 LYS 17 1HG LYS 17 -5.649 -7.914 1.808 136 HD2 LYS 17 2HD LYS 17 -6.863 -9.908 2.685 137 HD3 LYS 17 1HD LYS 17 -5.310 -10.590 3.163 138 HE2 LYS 17 2HE LYS 17 -6.265 -9.566 5.090 139 HE3 LYS 17 1HE LYS 17 -4.940 -8.537 4.551 140 HZ1 LYS 17 1HZ LYS 17 -7.794 -8.070 3.890 141 HZ2 LYS 17 2HZ LYS 17 -6.502 -7.025 3.568 142 HZ3 LYS 17 3HZ LYS 17 -6.976 -7.318 5.161 143 H HIS 18 H HIS 18 -3.470 -11.400 -0.696 144 HA HIS 18 HA HIS 18 -4.825 -12.014 -3.189 145 HB2 HIS 18 2HB HIS 18 -2.739 -13.170 -4.051 146 HB3 HIS 18 1HB HIS 18 -2.681 -11.417 -4.064 147 HD1 HIS 18 1HD HIS 18 -1.881 -13.594 -1.042 148 HD2 HIS 18 2HD HIS 18 0.022 -11.099 -3.771 149 HE1 HIS 18 1HE HIS 18 0.469 -13.344 -0.207 150 HE2 HIS 18 2HE HIS 18 1.646 -12.014 -1.980 151 H SER 19 H SER 19 -4.947 -14.321 -3.599 152 HA SER 19 HA SER 19 -5.916 -15.742 -1.431 153 HB2 SER 19 2HB SER 19 -5.704 -17.728 -3.002 154 HB3 SER 19 1HB SER 19 -6.595 -16.337 -3.626 155 HG SER 19 HG SER 19 -4.665 -17.480 -4.836 156 H GLN 20 H GLN 20 -2.684 -15.510 -2.608 157 HA GLN 20 HA GLN 20 -1.623 -17.839 -1.326 158 HB2 GLN 20 2HB GLN 20 -0.168 -15.421 -2.389 159 HB3 GLN 20 1HB GLN 20 0.512 -17.015 -2.093 160 HG2 GLN 20 2HG GLN 20 -0.669 -17.964 -3.898 161 HG3 GLN 20 1HG GLN 20 -1.708 -16.549 -4.058 162 HE21 GLN 20 1HE2 GLN 20 -0.012 -17.853 -6.023 163 HE22 GLN 20 2HE2 GLN 20 1.090 -16.645 -6.591 164 H SER 21 H SER 21 -2.971 -16.412 0.652 165 HA SER 21 HA SER 21 -0.742 -15.533 2.352 166 HB2 SER 21 2HB SER 21 -2.286 -13.835 3.368 167 HB3 SER 21 1HB SER 21 -1.876 -13.501 1.686 168 HG SER 21 HG SER 21 -3.880 -14.097 1.060 169 H ARG 22 H ARG 22 -1.484 -15.520 4.744 170 HA ARG 22 HA ARG 22 -2.402 -18.114 5.388 171 HB2 ARG 22 2HB ARG 22 -2.166 -17.548 7.682 172 HB3 ARG 22 1HB ARG 22 -0.903 -16.662 6.849 173 HG2 ARG 22 2HG ARG 22 -3.541 -15.432 7.635 174 HG3 ARG 22 1HG ARG 22 -2.109 -15.407 8.664 175 HD2 ARG 22 2HD ARG 22 -0.884 -14.197 6.969 176 HD3 ARG 22 1HD ARG 22 -2.258 -14.293 5.870 177 HE ARG 22 HE ARG 22 -3.264 -13.035 8.059 178 HH11 ARG 22 1HH1 ARG 22 -0.467 -12.499 6.040 179 HH12 ARG 22 2HH1 ARG 22 -0.502 -10.778 6.184 180 HH21 ARG 22 1HH2 ARG 22 -3.341 -10.742 8.286 181 HH22 ARG 22 2HH2 ARG 22 -2.149 -9.768 7.498 182 H ARG 23 H ARG 23 -4.067 -15.164 4.828 183 HA ARG 23 HA ARG 23 -6.593 -16.423 4.886 184 HB2 ARG 23 2HB ARG 23 -6.133 -16.069 7.350 185 HB3 ARG 23 1HB ARG 23 -6.169 -14.342 7.033 186 HG2 ARG 23 2HG ARG 23 -8.297 -14.997 7.891 187 HG3 ARG 23 1HG ARG 23 -8.489 -14.607 6.181 188 HD2 ARG 23 2HD ARG 23 -8.400 -16.994 5.629 189 HD3 ARG 23 1HD ARG 23 -8.204 -17.382 7.336 190 HE ARG 23 HE ARG 23 -10.547 -15.826 6.846 191 HH11 ARG 23 1HH1 ARG 23 -9.265 -19.103 6.678 192 HH12 ARG 23 2HH1 ARG 23 -10.813 -19.854 6.856 193 HH21 ARG 23 1HH2 ARG 23 -12.608 -16.842 7.078 194 HH22 ARG 23 2HH2 ARG 23 -12.711 -18.568 7.087 195 HA PRO 24 HA PRO 24 -6.524 -12.755 2.222 196 HB2 PRO 24 2HB PRO 24 -8.058 -13.777 0.277 197 HB3 PRO 24 1HB PRO 24 -6.368 -14.263 0.465 198 HG2 PRO 24 2HG PRO 24 -8.861 -15.688 1.298 199 HG3 PRO 24 1HG PRO 24 -7.389 -16.343 0.559 200 HD2 PRO 24 2HD PRO 24 -7.957 -16.438 3.252 201 HD3 PRO 24 1HD PRO 24 -6.321 -16.515 2.571 202 H SER 25 H SER 25 -8.242 -12.981 4.531 203 HA SER 25 HA SER 25 -10.924 -12.410 3.576 204 HB2 SER 25 2HB SER 25 -9.802 -12.617 6.372 205 HB3 SER 25 1HB SER 25 -11.504 -12.372 5.978 206 HG SER 25 HG SER 25 -11.374 -14.359 4.775 207 H SER 26 H SER 26 -11.571 -10.432 3.122 208 HA SER 26 HA SER 26 -10.542 -8.180 4.675 209 HB2 SER 26 2HB SER 26 -10.734 -8.180 1.656 210 HB3 SER 26 1HB SER 26 -10.170 -6.856 2.676 211 HG SER 26 HG SER 26 -8.931 -9.298 2.060 212 H TRP 27 H TRP 27 -11.900 -6.124 3.784 213 HA TRP 27 HA TRP 27 -14.597 -6.818 4.390 214 HB2 TRP 27 2HB TRP 27 -15.072 -4.444 4.355 215 HB3 TRP 27 1HB TRP 27 -13.577 -4.737 5.228 216 HD1 TRP 27 HD TRP 27 -11.253 -4.182 3.721 217 HE1 TRP 27 1HE TRP 27 -10.866 -2.239 2.079 218 HE3 TRP 27 3HE TRP 27 -16.121 -2.954 2.767 219 HZ2 TRP 27 2HZ TRP 27 -12.422 -0.426 0.585 220 HZ3 TRP 27 3HZ TRP 27 -16.583 -1.097 1.222 221 HH2 TRP 27 HH TRP 27 -14.776 0.136 0.157 222 H ARG 28 H ARG 28 -12.867 -6.186 1.424 223 HA ARG 28 HA ARG 28 -15.249 -5.809 -0.138 224 HB2 ARG 28 2HB ARG 28 -12.399 -6.372 -0.972 225 HB3 ARG 28 1HB ARG 28 -13.713 -6.109 -2.108 226 HG2 ARG 28 2HG ARG 28 -14.058 -3.872 -0.954 227 HG3 ARG 28 1HG ARG 28 -12.500 -4.158 -0.177 228 HD2 ARG 28 2HD ARG 28 -12.972 -4.135 -3.157 229 HD3 ARG 28 1HD ARG 28 -12.336 -2.777 -2.232 230 HE ARG 28 HE ARG 28 -10.700 -4.967 -1.696 231 HH11 ARG 28 1HH1 ARG 28 -11.611 -3.045 -4.507 232 HH12 ARG 28 2HH1 ARG 28 -10.080 -3.228 -5.298 233 HH21 ARG 28 1HH2 ARG 28 -8.672 -5.214 -2.754 234 HH22 ARG 28 2HH2 ARG 28 -8.409 -4.456 -4.296 235 H GLN 29 H GLN 29 -13.153 -8.487 0.665 236 HA GLN 29 HA GLN 29 -15.214 -10.347 -0.180 237 HB2 GLN 29 2HB GLN 29 -12.467 -10.234 -1.386 238 HB3 GLN 29 1HB GLN 29 -13.280 -11.781 -1.210 239 HG2 GLN 29 2HG GLN 29 -14.355 -9.410 -2.719 240 HG3 GLN 29 1HG GLN 29 -13.568 -10.814 -3.439 241 HE21 GLN 29 1HE2 GLN 29 -14.644 -12.794 -3.452 242 HE22 GLN 29 2HE2 GLN 29 -16.348 -12.909 -3.186 243 H GLU 30 H GLU 30 -15.440 -11.909 1.286 244 HA GLU 30 HA GLU 30 -13.823 -11.995 3.604 245 HB2 GLU 30 2HB GLU 30 -15.140 -13.981 4.224 246 HB3 GLU 30 1HB GLU 30 -16.161 -12.658 3.687 247 HG2 GLU 30 2HG GLU 30 -16.498 -13.719 1.554 248 HG3 GLU 30 1HG GLU 30 -15.349 -14.988 1.967 249 H LYS 31 H LYS 31 -13.621 -13.546 0.557 250 HA LYS 31 HA LYS 31 -11.130 -14.785 1.381 251 HB2 LYS 31 2HB LYS 31 -12.803 -16.579 1.576 252 HB3 LYS 31 1HB LYS 31 -13.293 -16.295 -0.089 253 HG2 LYS 31 2HG LYS 31 -11.036 -16.934 -0.843 254 HG3 LYS 31 1HG LYS 31 -10.590 -17.268 0.830 255 HD2 LYS 31 2HD LYS 31 -11.177 -19.326 -0.331 256 HD3 LYS 31 1HD LYS 31 -12.346 -18.983 0.943 257 HE2 LYS 31 2HE LYS 31 -13.873 -18.038 -0.731 258 HE3 LYS 31 1HE LYS 31 -12.702 -18.401 -1.996 259 HZ1 LYS 31 1HZ LYS 31 -14.000 -20.411 -0.245 260 HZ2 LYS 31 2HZ LYS 31 -12.944 -20.735 -1.528 261 HZ3 LYS 31 3HZ LYS 31 -14.461 -20.060 -1.832 262 H ILE 32 H ILE 32 -10.101 -13.223 0.202 263 HA ILE 32 HA ILE 32 -10.711 -12.601 -2.479 264 HB ILE 32 HB ILE 32 -8.195 -12.214 -0.853 265 HG12 ILE 32 2HG1 ILE 32 -10.287 -10.247 -1.792 266 HG13 ILE 32 1HG1 ILE 32 -10.249 -10.969 -0.187 267 HG21 ILE 32 1HG2 ILE 32 -8.823 -11.154 -3.598 268 HG22 ILE 32 2HG2 ILE 32 -7.594 -12.355 -3.199 269 HG23 ILE 32 3HG2 ILE 32 -7.434 -10.701 -2.608 270 HD11 ILE 32 1HD1 ILE 32 -8.069 -9.264 -1.357 271 HD12 ILE 32 2HD1 ILE 32 -8.165 -9.892 0.292 272 HD13 ILE 32 3HD1 ILE 32 -9.331 -8.695 -0.264 273 H THR 33 H THR 33 -10.567 -13.910 -4.121 274 HA THR 33 HA THR 33 -8.832 -16.245 -3.985 275 HB THR 33 HB THR 33 -10.837 -15.694 -6.158 276 HG1 THR 33 1HG THR 33 -11.313 -15.968 -3.473 277 HG21 THR 33 1HG2 THR 33 -9.366 -17.670 -6.355 278 HG22 THR 33 2HG2 THR 33 -11.050 -18.141 -6.127 279 HG23 THR 33 3HG2 THR 33 -9.920 -18.231 -4.777 280 H ARG 34 H ARG 34 -8.493 -13.166 -5.067 281 HA ARG 34 HA ARG 34 -7.419 -13.647 -7.674 282 HB2 ARG 34 2HB ARG 34 -6.921 -11.350 -7.782 283 HB3 ARG 34 1HB ARG 34 -8.355 -11.419 -6.773 284 HG2 ARG 34 2HG ARG 34 -6.918 -11.235 -4.776 285 HG3 ARG 34 1HG ARG 34 -5.518 -11.078 -5.833 286 HD2 ARG 34 2HD ARG 34 -6.145 -8.884 -5.181 287 HD3 ARG 34 1HD ARG 34 -6.637 -9.085 -6.858 288 HE ARG 34 HE ARG 34 -8.919 -9.333 -6.091 289 HH11 ARG 34 1HH1 ARG 34 -6.637 -8.179 -3.676 290 HH12 ARG 34 2HH1 ARG 34 -7.836 -7.342 -2.740 291 HH21 ARG 34 1HH2 ARG 34 -10.524 -8.232 -4.820 292 HH22 ARG 34 2HH2 ARG 34 -10.038 -7.389 -3.393 293 H THR 35 H THR 35 -5.395 -14.149 -8.266 294 HA THR 35 HA THR 35 -3.522 -14.833 -6.175 295 HB THR 35 HB THR 35 -3.894 -16.362 -8.117 296 HG1 THR 35 1HG THR 35 -1.972 -16.930 -7.462 297 HG21 THR 35 1HG2 THR 35 -2.492 -14.191 -9.687 298 HG22 THR 35 2HG2 THR 35 -4.171 -14.698 -9.880 299 HG23 THR 35 3HG2 THR 35 -2.862 -15.808 -10.285 300 H LYS 36 H LYS 36 -1.071 -14.336 -7.008 301 HA LYS 36 HA LYS 36 -0.660 -11.631 -6.451 302 HB2 LYS 36 2HB LYS 36 1.078 -13.184 -5.947 303 HB3 LYS 36 1HB LYS 36 1.168 -13.737 -7.608 304 HG2 LYS 36 2HG LYS 36 1.762 -10.877 -7.126 305 HG3 LYS 36 1HG LYS 36 2.935 -12.053 -6.530 306 HD2 LYS 36 2HD LYS 36 3.142 -13.018 -8.744 307 HD3 LYS 36 1HD LYS 36 1.886 -11.945 -9.360 308 HE2 LYS 36 2HE LYS 36 3.292 -10.018 -8.927 309 HE3 LYS 36 1HE LYS 36 4.532 -11.053 -8.222 310 HZ1 LYS 36 1HZ LYS 36 3.581 -11.266 -11.024 311 HZ2 LYS 36 2HZ LYS 36 4.900 -12.073 -10.329 312 HZ3 LYS 36 3HZ LYS 36 4.958 -10.400 -10.551 313 H GLU 37 H GLU 37 -0.519 -13.313 -9.587 314 HA GLU 37 HA GLU 37 0.181 -11.078 -11.133 315 HB2 GLU 37 2HB GLU 37 -1.343 -13.578 -11.859 316 HB3 GLU 37 1HB GLU 37 -0.850 -12.373 -13.040 317 HG2 GLU 37 2HG GLU 37 1.036 -13.873 -11.238 318 HG3 GLU 37 1HG GLU 37 0.673 -14.312 -12.905 319 H GLU 38 H GLU 38 -2.983 -12.295 -10.160 320 HA GLU 38 HA GLU 38 -4.530 -10.474 -11.673 321 HB2 GLU 38 2HB GLU 38 -5.154 -12.040 -9.170 322 HB3 GLU 38 1HB GLU 38 -6.342 -11.055 -10.010 323 HG2 GLU 38 2HG GLU 38 -4.845 -13.335 -11.271 324 HG3 GLU 38 1HG GLU 38 -6.447 -13.474 -10.546 325 H ALA 39 H ALA 39 -3.244 -10.399 -8.389 326 HA ALA 39 HA ALA 39 -4.486 -7.994 -7.594 327 HB1 ALA 39 1HB ALA 39 -1.903 -9.210 -6.611 328 HB2 ALA 39 2HB ALA 39 -3.515 -9.578 -5.998 329 HB3 ALA 39 3HB ALA 39 -2.840 -7.963 -5.788 330 H LEU 40 H LEU 40 -1.394 -8.711 -9.130 331 HA LEU 40 HA LEU 40 -0.235 -6.178 -9.059 332 HB2 LEU 40 2HB LEU 40 0.814 -8.384 -9.755 333 HB3 LEU 40 1HB LEU 40 0.037 -8.184 -11.306 334 HG LEU 40 HG LEU 40 2.499 -7.578 -11.166 335 HD11 LEU 40 1HD1 LEU 40 0.593 -5.472 -12.160 336 HD12 LEU 40 2HD1 LEU 40 1.147 -6.891 -13.049 337 HD13 LEU 40 3HD1 LEU 40 2.290 -5.622 -12.612 338 HD21 LEU 40 1HD2 LEU 40 2.405 -6.406 -9.019 339 HD22 LEU 40 2HD2 LEU 40 1.420 -5.142 -9.757 340 HD23 LEU 40 3HD2 LEU 40 3.080 -5.393 -10.295 341 H GLU 41 H GLU 41 -2.495 -7.592 -11.372 342 HA GLU 41 HA GLU 41 -2.543 -5.537 -13.268 343 HB2 GLU 41 2HB GLU 41 -4.742 -7.413 -12.394 344 HB3 GLU 41 1HB GLU 41 -4.814 -6.394 -13.824 345 HG2 GLU 41 2HG GLU 41 -2.722 -8.494 -13.350 346 HG3 GLU 41 1HG GLU 41 -4.201 -8.752 -14.269 347 H LEU 42 H LEU 42 -4.470 -6.016 -10.337 348 HA LEU 42 HA LEU 42 -6.060 -3.693 -10.652 349 HB2 LEU 42 2HB LEU 42 -5.359 -5.224 -8.147 350 HB3 LEU 42 1HB LEU 42 -6.611 -4.004 -8.263 351 HG LEU 42 HG LEU 42 -6.594 -6.664 -9.691 352 HD11 LEU 42 1HD1 LEU 42 -7.014 -6.869 -7.306 353 HD12 LEU 42 2HD1 LEU 42 -8.481 -7.188 -8.231 354 HD13 LEU 42 3HD1 LEU 42 -8.274 -5.640 -7.409 355 HD21 LEU 42 1HD2 LEU 42 -7.686 -4.972 -11.049 356 HD22 LEU 42 2HD2 LEU 42 -8.655 -4.459 -9.668 357 HD23 LEU 42 3HD2 LEU 42 -8.888 -6.064 -10.360 358 H ILE 43 H ILE 43 -3.042 -4.367 -8.975 359 HA ILE 43 HA ILE 43 -2.673 -1.971 -7.617 360 HB ILE 43 HB ILE 43 -0.624 -3.788 -8.902 361 HG12 ILE 43 2HG1 ILE 43 -1.980 -4.807 -7.124 362 HG13 ILE 43 1HG1 ILE 43 -0.297 -4.644 -6.643 363 HG21 ILE 43 1HG2 ILE 43 -0.152 -1.546 -6.943 364 HG22 ILE 43 2HG2 ILE 43 0.365 -1.589 -8.628 365 HG23 ILE 43 3HG2 ILE 43 1.053 -2.723 -7.466 366 HD11 ILE 43 1HD1 ILE 43 -2.566 -2.854 -5.802 367 HD12 ILE 43 2HD1 ILE 43 -0.876 -2.658 -5.335 368 HD13 ILE 43 3HD1 ILE 43 -1.775 -4.082 -4.816 369 H ASN 44 H ASN 44 -1.647 -2.831 -10.911 370 HA ASN 44 HA ASN 44 -0.493 -0.383 -11.595 371 HB2 ASN 44 2HB ASN 44 -1.844 -2.483 -13.279 372 HB3 ASN 44 1HB ASN 44 -1.134 -1.037 -13.984 373 HD21 ASN 44 1HD2 ASN 44 -0.402 -3.778 -14.404 374 HD22 ASN 44 2HD2 ASN 44 1.253 -3.929 -13.925 375 H GLY 45 H GLY 45 -3.838 -1.482 -11.902 376 HA2 GLY 45 2HA GLY 45 -4.858 0.763 -13.236 377 HA3 GLY 45 1HA GLY 45 -5.792 -0.328 -12.222 378 H TYR 46 H TYR 46 -4.551 0.087 -9.774 379 HA TYR 46 HA TYR 46 -5.823 2.477 -8.934 380 HB2 TYR 46 2HB TYR 46 -3.803 0.796 -7.423 381 HB3 TYR 46 1HB TYR 46 -4.877 1.996 -6.719 382 HD1 TYR 46 1HD TYR 46 -7.340 1.139 -8.445 383 HD2 TYR 46 2HD TYR 46 -4.559 -1.030 -6.057 384 HE1 TYR 46 1HE TYR 46 -9.030 -0.606 -8.067 385 HE2 TYR 46 2HE TYR 46 -6.245 -2.781 -5.677 386 HH TYR 46 HH TYR 46 -9.123 -2.998 -7.468 387 H ILE 47 H ILE 47 -2.425 1.576 -9.378 388 HA ILE 47 HA ILE 47 -1.228 3.930 -8.488 389 HB ILE 47 HB ILE 47 -0.333 1.917 -10.553 390 HG12 ILE 47 2HG1 ILE 47 0.554 2.486 -7.714 391 HG13 ILE 47 1HG1 ILE 47 -0.434 1.128 -8.240 392 HG21 ILE 47 1HG2 ILE 47 1.913 2.926 -10.453 393 HG22 ILE 47 2HG2 ILE 47 1.258 4.257 -9.499 394 HG23 ILE 47 3HG2 ILE 47 0.718 4.015 -11.159 395 HD11 ILE 47 1HD1 ILE 47 2.428 1.642 -9.021 396 HD12 ILE 47 2HD1 ILE 47 1.442 0.282 -9.560 397 HD13 ILE 47 3HD1 ILE 47 1.861 0.447 -7.854 398 H GLN 48 H GLN 48 -2.357 3.084 -11.745 399 HA GLN 48 HA GLN 48 -1.435 5.444 -12.975 400 HB2 GLN 48 2HB GLN 48 -3.620 3.535 -13.794 401 HB3 GLN 48 1HB GLN 48 -3.029 4.846 -14.804 402 HG2 GLN 48 2HG GLN 48 -1.430 2.503 -13.802 403 HG3 GLN 48 1HG GLN 48 -1.998 2.765 -15.451 404 HE21 GLN 48 1HE2 GLN 48 0.716 2.455 -14.361 405 HE22 GLN 48 2HE2 GLN 48 1.585 3.857 -14.877 406 H LYS 49 H LYS 49 -4.564 4.617 -11.548 407 HA LYS 49 HA LYS 49 -5.951 6.948 -12.263 408 HB2 LYS 49 2HB LYS 49 -6.233 5.115 -9.887 409 HB3 LYS 49 1HB LYS 49 -7.333 6.449 -10.194 410 HG2 LYS 49 2HG LYS 49 -8.060 5.458 -12.249 411 HG3 LYS 49 1HG LYS 49 -6.829 4.198 -12.126 412 HD2 LYS 49 2HD LYS 49 -7.888 3.295 -10.154 413 HD3 LYS 49 1HD LYS 49 -9.053 4.617 -10.132 414 HE2 LYS 49 2HE LYS 49 -8.777 2.621 -12.373 415 HE3 LYS 49 1HE LYS 49 -9.948 2.491 -11.062 416 HZ1 LYS 49 1HZ LYS 49 -9.792 4.721 -13.021 417 HZ2 LYS 49 2HZ LYS 49 -10.908 4.596 -11.765 418 HZ3 LYS 49 3HZ LYS 49 -10.934 3.477 -13.028 419 H ILE 50 H ILE 50 -3.753 6.284 -9.623 420 HA ILE 50 HA ILE 50 -4.208 8.779 -8.286 421 HB ILE 50 HB ILE 50 -1.959 6.775 -7.963 422 HG12 ILE 50 2HG1 ILE 50 -4.417 7.185 -6.250 423 HG13 ILE 50 1HG1 ILE 50 -4.285 5.946 -7.494 424 HG21 ILE 50 1HG2 ILE 50 -2.802 9.051 -6.165 425 HG22 ILE 50 2HG2 ILE 50 -1.337 8.994 -7.144 426 HG23 ILE 50 3HG2 ILE 50 -1.548 7.863 -5.808 427 HD11 ILE 50 1HD1 ILE 50 -2.531 6.177 -5.058 428 HD12 ILE 50 2HD1 ILE 50 -2.448 4.914 -6.286 429 HD13 ILE 50 3HD1 ILE 50 -3.877 5.056 -5.261 430 H LYS 51 H LYS 51 -1.557 7.441 -10.263 431 HA LYS 51 HA LYS 51 0.085 9.715 -10.180 432 HB2 LYS 51 2HB LYS 51 -0.071 7.341 -11.986 433 HB3 LYS 51 1HB LYS 51 0.980 8.682 -12.414 434 HG2 LYS 51 2HG LYS 51 1.107 7.179 -9.804 435 HG3 LYS 51 1HG LYS 51 2.136 6.861 -11.203 436 HD2 LYS 51 2HD LYS 51 2.922 9.218 -11.091 437 HD3 LYS 51 1HD LYS 51 1.983 9.425 -9.614 438 HE2 LYS 51 2HE LYS 51 3.299 7.687 -8.523 439 HE3 LYS 51 1HE LYS 51 4.219 7.440 -10.005 440 HZ1 LYS 51 1HZ LYS 51 5.447 8.834 -8.498 441 HZ2 LYS 51 2HZ LYS 51 4.157 9.916 -8.369 442 HZ3 LYS 51 3HZ LYS 51 4.978 9.757 -9.833 443 H SER 52 H SER 52 -2.433 8.816 -12.513 444 HA SER 52 HA SER 52 -1.878 11.086 -14.176 445 HB2 SER 52 2HB SER 52 -4.231 9.189 -14.158 446 HB3 SER 52 1HB SER 52 -3.906 10.390 -15.407 447 HG SER 52 HG SER 52 -1.736 9.224 -15.451 448 H GLY 53 H GLY 53 -3.195 10.940 -11.189 449 HA2 GLY 53 2HA GLY 53 -4.405 12.425 -9.929 450 HA3 GLY 53 1HA GLY 53 -4.177 13.576 -11.238 451 H GLU 54 H GLU 54 -5.830 10.476 -11.432 452 HA GLU 54 HA GLU 54 -8.183 11.881 -12.416 453 HB2 GLU 54 2HB GLU 54 -7.597 8.919 -12.338 454 HB3 GLU 54 1HB GLU 54 -8.945 9.689 -13.165 455 HG2 GLU 54 2HG GLU 54 -7.356 10.866 -14.616 456 HG3 GLU 54 1HG GLU 54 -6.031 10.033 -13.810 457 H GLU 55 H GLU 55 -7.253 9.549 -9.951 458 HA GLU 55 HA GLU 55 -9.835 10.016 -8.630 459 HB2 GLU 55 2HB GLU 55 -7.922 7.702 -8.384 460 HB3 GLU 55 1HB GLU 55 -9.391 7.891 -7.440 461 HG2 GLU 55 2HG GLU 55 -9.246 7.591 -10.429 462 HG3 GLU 55 1HG GLU 55 -9.676 6.325 -9.281 463 H ASP 56 H ASP 56 -9.780 10.002 -6.283 464 HA ASP 56 HA ASP 56 -7.490 11.467 -5.252 465 HB2 ASP 56 2HB ASP 56 -9.623 12.412 -4.694 466 HB3 ASP 56 1HB ASP 56 -10.230 10.859 -4.131 467 H PHE 57 H PHE 57 -6.042 10.651 -3.833 468 HA PHE 57 HA PHE 57 -5.621 7.909 -3.717 469 HB2 PHE 57 2HB PHE 57 -3.870 9.636 -3.346 470 HB3 PHE 57 1HB PHE 57 -4.560 9.952 -1.756 471 HD1 PHE 57 1HD PHE 57 -4.446 8.214 0.005 472 HD2 PHE 57 2HD PHE 57 -2.500 7.756 -3.745 473 HE1 PHE 57 1HE PHE 57 -3.076 6.408 0.944 474 HE2 PHE 57 2HE PHE 57 -1.122 5.948 -2.813 475 HZ PHE 57 HZ PHE 57 -1.410 5.270 -0.463 476 H GLU 58 H GLU 58 -6.783 10.012 -1.077 477 HA GLU 58 HA GLU 58 -7.127 7.959 0.790 478 HB2 GLU 58 2HB GLU 58 -8.449 10.652 0.562 479 HB3 GLU 58 1HB GLU 58 -8.672 9.582 1.939 480 HG2 GLU 58 2HG GLU 58 -6.280 9.651 2.393 481 HG3 GLU 58 1HG GLU 58 -6.040 10.704 1.003 482 H SER 59 H SER 59 -9.289 9.190 -1.673 483 HA SER 59 HA SER 59 -11.603 7.815 -0.850 484 HB2 SER 59 2HB SER 59 -10.779 8.564 -3.666 485 HB3 SER 59 1HB SER 59 -12.416 8.192 -3.121 486 HG SER 59 HG SER 59 -10.803 10.331 -2.151 487 H LEU 60 H LEU 60 -9.031 6.918 -3.149 488 HA LEU 60 HA LEU 60 -10.088 4.373 -3.775 489 HB2 LEU 60 2HB LEU 60 -7.234 5.345 -3.870 490 HB3 LEU 60 1HB LEU 60 -7.799 3.844 -4.570 491 HG LEU 60 HG LEU 60 -8.565 6.629 -5.437 492 HD11 LEU 60 1HD1 LEU 60 -6.929 4.469 -6.751 493 HD12 LEU 60 2HD1 LEU 60 -6.333 6.003 -6.116 494 HD13 LEU 60 3HD1 LEU 60 -7.411 5.983 -7.511 495 HD21 LEU 60 1HD2 LEU 60 -10.466 5.128 -5.676 496 HD22 LEU 60 2HD2 LEU 60 -9.452 3.951 -6.510 497 HD23 LEU 60 3HD2 LEU 60 -9.784 5.515 -7.255 498 H ALA 61 H ALA 61 -7.883 5.503 -1.293 499 HA ALA 61 HA ALA 61 -7.089 2.954 -0.364 500 HB1 ALA 61 1HB ALA 61 -7.116 5.572 1.120 501 HB2 ALA 61 2HB ALA 61 -5.819 4.997 0.072 502 HB3 ALA 61 3HB ALA 61 -6.204 4.128 1.557 503 H SER 62 H SER 62 -9.992 4.685 0.026 504 HA SER 62 HA SER 62 -10.707 3.114 2.394 505 HB2 SER 62 2HB SER 62 -12.188 5.448 1.170 506 HB3 SER 62 1HB SER 62 -12.489 4.705 2.742 507 HG SER 62 HG SER 62 -10.321 6.309 1.907 508 H GLN 63 H GLN 63 -10.841 2.760 -0.837 509 HA GLN 63 HA GLN 63 -13.435 1.369 -0.716 510 HB2 GLN 63 2HB GLN 63 -12.390 3.068 -2.970 511 HB3 GLN 63 1HB GLN 63 -13.781 2.004 -3.111 512 HG2 GLN 63 2HG GLN 63 -15.000 3.281 -1.490 513 HG3 GLN 63 1HG GLN 63 -13.582 4.260 -1.129 514 HE21 GLN 63 1HE2 GLN 63 -12.785 4.456 -3.917 515 HE22 GLN 63 2HE2 GLN 63 -13.875 5.564 -4.662 516 H PHE 64 H PHE 64 -10.263 1.525 -2.286 517 HA PHE 64 HA PHE 64 -10.741 -1.187 -3.320 518 HB2 PHE 64 2HB PHE 64 -8.899 0.972 -4.347 519 HB3 PHE 64 1HB PHE 64 -8.985 -0.661 -4.997 520 HD1 PHE 64 1HD PHE 64 -10.588 2.596 -4.832 521 HD2 PHE 64 2HD PHE 64 -10.977 -1.406 -6.217 522 HE1 PHE 64 1HE PHE 64 -12.411 3.296 -6.328 523 HE2 PHE 64 2HE PHE 64 -12.800 -0.713 -7.717 524 HZ PHE 64 HZ PHE 64 -13.518 1.641 -7.775 525 H SER 65 H SER 65 -9.486 -0.032 -0.703 526 HA SER 65 HA SER 65 -7.011 -1.596 -0.830 527 HB2 SER 65 2HB SER 65 -6.903 0.822 -0.089 528 HB3 SER 65 1HB SER 65 -7.838 0.357 1.328 529 HG SER 65 HG SER 65 -5.649 0.321 1.816 530 H ASP 66 H ASP 66 -7.095 -3.570 0.004 531 HA ASP 66 HA ASP 66 -9.363 -4.391 1.618 532 HB2 ASP 66 2HB ASP 66 -7.019 -5.960 0.519 533 HB3 ASP 66 1HB ASP 66 -8.342 -6.666 1.435 534 H CYS 67 H CYS 67 -8.684 -2.985 3.437 535 HA CYS 67 HA CYS 67 -7.352 -4.540 5.416 536 HB2 CYS 67 2HB CYS 67 -5.543 -2.887 5.890 537 HB3 CYS 67 1HB CYS 67 -5.341 -3.731 4.359 538 HG CYS 67 HG CYS 67 -6.072 -1.626 2.757 539 H SER 68 H SER 68 -7.029 -3.128 7.459 540 HA SER 68 HA SER 68 -9.537 -1.901 8.055 541 HB2 SER 68 2HB SER 68 -8.267 -3.263 9.699 542 HB3 SER 68 1HB SER 68 -6.998 -2.042 9.709 543 HG SER 68 HG SER 68 -9.497 -1.018 10.183 544 H SER 69 H SER 69 -6.617 -0.795 6.762 545 HA SER 69 HA SER 69 -6.429 1.800 7.796 546 HB2 SER 69 2HB SER 69 -5.591 0.842 5.056 547 HB3 SER 69 1HB SER 69 -4.997 2.277 5.893 548 HG SER 69 HG SER 69 -4.531 0.505 7.614 549 H ALA 70 H ALA 70 -8.663 0.464 5.566 550 HA ALA 70 HA ALA 70 -9.347 2.585 3.949 551 HB1 ALA 70 1HB ALA 70 -11.555 1.563 3.756 552 HB2 ALA 70 2HB ALA 70 -11.232 0.580 5.184 553 HB3 ALA 70 3HB ALA 70 -10.286 0.339 3.716 554 H LYS 71 H LYS 71 -10.388 1.999 7.303 555 HA LYS 71 HA LYS 71 -12.225 4.162 7.375 556 HB2 LYS 71 2HB LYS 71 -12.225 3.884 9.800 557 HB3 LYS 71 1HB LYS 71 -12.351 2.329 8.995 558 HG2 LYS 71 2HG LYS 71 -10.025 1.872 9.425 559 HG3 LYS 71 1HG LYS 71 -9.811 3.479 10.122 560 HD2 LYS 71 2HD LYS 71 -11.409 2.918 11.884 561 HD3 LYS 71 1HD LYS 71 -11.606 1.306 11.193 562 HE2 LYS 71 2HE LYS 71 -9.270 0.818 11.594 563 HE3 LYS 71 1HE LYS 71 -9.005 2.455 12.191 564 HZ1 LYS 71 1HZ LYS 71 -10.738 0.397 13.434 565 HZ2 LYS 71 2HZ LYS 71 -10.558 1.983 13.992 566 HZ3 LYS 71 3HZ LYS 71 -9.237 0.929 14.008 567 H ALA 72 H ALA 72 -8.810 3.969 7.695 568 HA ALA 72 HA ALA 72 -8.626 6.687 8.771 569 HB1 ALA 72 1HB ALA 72 -6.247 6.199 9.072 570 HB2 ALA 72 2HB ALA 72 -6.466 4.627 8.304 571 HB3 ALA 72 3HB ALA 72 -7.247 4.970 9.847 572 H ARG 73 H ARG 73 -9.112 5.379 5.894 573 HA ARG 73 HA ARG 73 -8.914 6.078 3.761 574 HB2 ARG 73 2HB ARG 73 -7.981 8.554 5.186 575 HB3 ARG 73 1HB ARG 73 -7.923 8.466 3.434 576 HG2 ARG 73 2HG ARG 73 -9.955 9.590 4.260 577 HG3 ARG 73 1HG ARG 73 -10.325 8.137 3.331 578 HD2 ARG 73 2HD ARG 73 -10.613 6.891 5.426 579 HD3 ARG 73 1HD ARG 73 -10.258 8.353 6.338 580 HE ARG 73 HE ARG 73 -12.304 9.302 5.399 581 HH11 ARG 73 1HH1 ARG 73 -11.939 5.804 5.159 582 HH12 ARG 73 2HH1 ARG 73 -13.639 5.506 5.230 583 HH21 ARG 73 1HH2 ARG 73 -14.558 8.883 5.482 584 HH22 ARG 73 2HH2 ARG 73 -15.133 7.257 5.399 585 H GLY 74 H GLY 74 -6.817 4.559 5.065 586 HA2 GLY 74 2HA GLY 74 -4.988 3.491 4.071 587 HA3 GLY 74 1HA GLY 74 -4.869 4.813 2.924 588 H ASP 75 H ASP 75 -5.080 6.319 5.778 589 HA ASP 75 HA ASP 75 -2.274 6.913 5.784 590 HB2 ASP 75 2HB ASP 75 -3.777 8.732 6.161 591 HB3 ASP 75 1HB ASP 75 -4.549 7.889 7.500 592 H LEU 76 H LEU 76 -0.749 6.029 6.953 593 HA LEU 76 HA LEU 76 -1.476 4.238 9.151 594 HB2 LEU 76 2HB LEU 76 1.095 4.631 7.625 595 HB3 LEU 76 1HB LEU 76 0.951 3.581 9.018 596 HG LEU 76 HG LEU 76 -0.593 3.238 6.450 597 HD11 LEU 76 1HD1 LEU 76 1.814 1.745 7.481 598 HD12 LEU 76 2HD1 LEU 76 1.805 2.876 6.127 599 HD13 LEU 76 3HD1 LEU 76 0.901 1.366 6.021 600 HD21 LEU 76 1HD2 LEU 76 -0.301 1.470 8.880 601 HD22 LEU 76 2HD2 LEU 76 -1.126 1.029 7.386 602 HD23 LEU 76 3HD2 LEU 76 -1.756 2.336 8.388 603 H GLY 77 H GLY 77 -0.395 7.365 8.558 604 HA2 GLY 77 2HA GLY 77 -0.008 9.003 10.149 605 HA3 GLY 77 1HA GLY 77 0.191 7.753 11.369 606 H ALA 78 H ALA 78 2.005 9.313 11.865 607 HA ALA 78 HA ALA 78 4.320 9.010 10.144 608 HB1 ALA 78 1HB ALA 78 5.423 10.530 11.698 609 HB2 ALA 78 2HB ALA 78 4.033 10.449 12.780 610 HB3 ALA 78 3HB ALA 78 3.867 11.183 11.185 611 H PHE 79 H PHE 79 5.681 7.386 10.356 612 HA PHE 79 HA PHE 79 5.906 6.120 12.993 613 HB2 PHE 79 2HB PHE 79 6.304 3.945 11.800 614 HB3 PHE 79 1HB PHE 79 4.668 4.569 11.657 615 HD1 PHE 79 1HD PHE 79 3.837 5.396 9.531 616 HD2 PHE 79 2HD PHE 79 7.769 3.805 9.889 617 HE1 PHE 79 1HE PHE 79 3.973 5.196 7.087 618 HE2 PHE 79 2HE PHE 79 7.914 3.606 7.440 619 HZ PHE 79 HZ PHE 79 6.015 4.303 6.037 620 H SER 80 H SER 80 7.910 5.197 13.501 621 HA SER 80 HA SER 80 10.117 6.666 12.315 622 HB2 SER 80 2HB SER 80 10.161 4.848 14.725 623 HB3 SER 80 1HB SER 80 11.336 6.089 14.290 624 HG SER 80 HG SER 80 8.878 6.312 15.523 625 H ARG 81 H ARG 81 12.195 5.479 12.050 626 HA ARG 81 HA ARG 81 11.943 3.360 10.235 627 HB2 ARG 81 2HB ARG 81 14.356 4.189 11.846 628 HB3 ARG 81 1HB ARG 81 14.387 3.126 10.449 629 HG2 ARG 81 2HG ARG 81 13.555 4.974 9.057 630 HG3 ARG 81 1HG ARG 81 13.599 6.030 10.473 631 HD2 ARG 81 2HD ARG 81 15.997 5.612 10.699 632 HD3 ARG 81 1HD ARG 81 15.945 4.576 9.276 633 HE ARG 81 HE ARG 81 15.001 7.269 8.843 634 HH11 ARG 81 1HH1 ARG 81 17.753 5.098 8.814 635 HH12 ARG 81 2HH1 ARG 81 18.695 6.075 7.742 636 HH21 ARG 81 1HH2 ARG 81 16.247 8.596 7.442 637 HH22 ARG 81 2HH2 ARG 81 17.832 8.087 6.964 638 H GLY 82 H GLY 82 11.492 1.320 10.580 639 HA2 GLY 82 2HA GLY 82 12.107 -0.796 11.576 640 HA3 GLY 82 1HA GLY 82 12.426 0.057 13.078 641 H GLN 83 H GLN 83 9.671 0.090 10.849 642 HA GLN 83 HA GLN 83 7.982 -0.868 13.060 643 HB2 GLN 83 2HB GLN 83 7.534 1.587 11.381 644 HB3 GLN 83 1HB GLN 83 6.222 0.794 12.233 645 HG2 GLN 83 2HG GLN 83 8.702 1.935 13.501 646 HG3 GLN 83 1HG GLN 83 7.113 2.696 13.477 647 HE21 GLN 83 1HE2 GLN 83 5.707 0.172 13.868 648 HE22 GLN 83 2HE2 GLN 83 5.950 -0.261 15.524 649 H MET 84 H MET 84 8.671 -0.800 9.670 650 HA MET 84 HA MET 84 6.267 -2.443 9.186 651 HB2 MET 84 2HB MET 84 7.735 -0.682 7.221 652 HB3 MET 84 1HB MET 84 6.301 -1.640 6.878 653 HG2 MET 84 2HG MET 84 6.444 0.639 8.840 654 HG3 MET 84 1HG MET 84 5.793 0.735 7.206 655 HE1 MET 84 1HE MET 84 3.654 1.835 8.447 656 HE2 MET 84 2HE MET 84 4.295 1.502 10.055 657 HE3 MET 84 3HE MET 84 2.667 0.975 9.629 658 H GLN 85 H GLN 85 6.707 -3.634 6.899 659 HA GLN 85 HA GLN 85 8.695 -5.589 7.449 660 HB2 GLN 85 2HB GLN 85 6.917 -5.086 5.065 661 HB3 GLN 85 1HB GLN 85 8.117 -6.366 5.064 662 HG2 GLN 85 2HG GLN 85 5.932 -7.247 5.610 663 HG3 GLN 85 1HG GLN 85 7.015 -7.403 6.988 664 HE21 GLN 85 1HE2 GLN 85 6.621 -6.212 8.833 665 HE22 GLN 85 2HE2 GLN 85 5.130 -5.382 9.106 666 H LYS 86 H LYS 86 10.510 -6.131 6.095 667 HA LYS 86 HA LYS 86 12.330 -4.117 5.854 668 HB2 LYS 86 2HB LYS 86 12.894 -6.518 5.869 669 HB3 LYS 86 1HB LYS 86 12.337 -6.653 4.210 670 HG2 LYS 86 2HG LYS 86 14.753 -6.526 4.290 671 HG3 LYS 86 1HG LYS 86 14.092 -5.093 3.502 672 HD2 LYS 86 2HD LYS 86 14.362 -3.814 5.556 673 HD3 LYS 86 1HD LYS 86 14.960 -5.248 6.390 674 HE2 LYS 86 2HE LYS 86 16.808 -3.815 5.744 675 HE3 LYS 86 1HE LYS 86 16.868 -5.331 4.847 676 HZ1 LYS 86 1HZ LYS 86 15.801 -2.761 3.801 677 HZ2 LYS 86 2HZ LYS 86 15.913 -4.210 2.941 678 HZ3 LYS 86 3HZ LYS 86 17.314 -3.414 3.436 679 HA PRO 87 HA PRO 87 11.647 -3.654 1.035 680 HB2 PRO 87 2HB PRO 87 9.129 -4.326 0.162 681 HB3 PRO 87 1HB PRO 87 10.532 -5.392 0.042 682 HG2 PRO 87 2HG PRO 87 8.365 -5.341 2.111 683 HG3 PRO 87 1HG PRO 87 9.092 -6.735 1.291 684 HD2 PRO 87 2HD PRO 87 9.814 -6.078 3.770 685 HD3 PRO 87 1HD PRO 87 11.015 -6.653 2.593 686 H PHE 88 H PHE 88 8.886 -3.311 3.206 687 HA PHE 88 HA PHE 88 7.880 -0.928 1.949 688 HB2 PHE 88 2HB PHE 88 6.512 -2.610 3.295 689 HB3 PHE 88 1HB PHE 88 7.258 -1.935 4.736 690 HD1 PHE 88 1HD PHE 88 4.578 -1.688 2.423 691 HD2 PHE 88 2HD PHE 88 6.919 0.595 5.146 692 HE1 PHE 88 1HE PHE 88 2.807 0.018 2.512 693 HE2 PHE 88 2HE PHE 88 5.151 2.304 5.238 694 HZ PHE 88 HZ PHE 88 3.093 2.016 3.921 695 H GLU 89 H GLU 89 9.706 -1.717 4.844 696 HA GLU 89 HA GLU 89 9.973 0.779 6.034 697 HB2 GLU 89 2HB GLU 89 10.564 -1.446 6.999 698 HB3 GLU 89 1HB GLU 89 11.977 -1.483 5.963 699 HG2 GLU 89 2HG GLU 89 12.675 -0.844 8.126 700 HG3 GLU 89 1HG GLU 89 12.770 0.576 7.092 701 H ASP 90 H ASP 90 11.900 -0.796 3.539 702 HA ASP 90 HA ASP 90 13.920 1.201 3.394 703 HB2 ASP 90 2HB ASP 90 14.344 -1.077 2.642 704 HB3 ASP 90 1HB ASP 90 13.109 -0.919 1.399 705 H ALA 91 H ALA 91 11.064 0.502 1.421 706 HA ALA 91 HA ALA 91 11.581 2.562 -0.462 707 HB1 ALA 91 1HB ALA 91 9.370 2.062 -1.345 708 HB2 ALA 91 2HB ALA 91 9.017 1.082 0.080 709 HB3 ALA 91 3HB ALA 91 10.286 0.586 -1.039 710 H ALA 92 H ALA 92 9.564 2.411 2.438 711 HA ALA 92 HA ALA 92 8.034 4.704 2.030 712 HB1 ALA 92 1HB ALA 92 7.649 4.712 4.427 713 HB2 ALA 92 2HB ALA 92 9.018 3.626 4.667 714 HB3 ALA 92 3HB ALA 92 7.590 3.066 3.797 715 H PHE 93 H PHE 93 11.225 4.400 3.529 716 HA PHE 93 HA PHE 93 11.333 7.274 3.959 717 HB2 PHE 93 2HB PHE 93 13.189 5.022 4.718 718 HB3 PHE 93 1HB PHE 93 13.602 6.715 4.962 719 HD1 PHE 93 1HD PHE 93 12.804 7.895 6.820 720 HD2 PHE 93 2HD PHE 93 11.143 4.094 5.873 721 HE1 PHE 93 1HE PHE 93 11.615 7.881 8.973 722 HE2 PHE 93 2HE PHE 93 9.953 4.074 8.026 723 HZ PHE 93 HZ PHE 93 10.187 5.970 9.578 724 H ALA 94 H ALA 94 11.763 5.472 1.326 725 HA ALA 94 HA ALA 94 14.132 6.962 0.414 726 HB1 ALA 94 1HB ALA 94 14.358 5.302 -1.341 727 HB2 ALA 94 2HB ALA 94 12.877 4.510 -0.806 728 HB3 ALA 94 3HB ALA 94 14.296 4.521 0.239 729 H LEU 95 H LEU 95 10.805 6.950 0.241 730 HA LEU 95 HA LEU 95 10.513 7.770 -2.485 731 HB2 LEU 95 2HB LEU 95 8.632 7.880 -0.144 732 HB3 LEU 95 1HB LEU 95 8.198 8.399 -1.760 733 HG LEU 95 HG LEU 95 8.969 5.600 -0.944 734 HD11 LEU 95 1HD1 LEU 95 6.328 6.803 -1.747 735 HD12 LEU 95 2HD1 LEU 95 6.778 6.240 -0.137 736 HD13 LEU 95 3HD1 LEU 95 6.631 5.090 -1.465 737 HD21 LEU 95 1HD2 LEU 95 8.119 6.712 -3.620 738 HD22 LEU 95 2HD2 LEU 95 8.290 5.000 -3.238 739 HD23 LEU 95 3HD2 LEU 95 9.704 6.051 -3.213 740 H ARG 96 H ARG 96 9.806 9.806 -3.202 741 HA ARG 96 HA ARG 96 10.977 12.012 -1.676 742 HB2 ARG 96 2HB ARG 96 10.115 11.914 -4.575 743 HB3 ARG 96 1HB ARG 96 11.013 13.206 -3.802 744 HG2 ARG 96 2HG ARG 96 12.943 11.864 -3.570 745 HG3 ARG 96 1HG ARG 96 12.056 10.397 -3.982 746 HD2 ARG 96 2HD ARG 96 12.556 12.713 -5.848 747 HD3 ARG 96 1HD ARG 96 13.476 11.212 -5.833 748 HE ARG 96 HE ARG 96 10.649 11.500 -6.620 749 HH11 ARG 96 1HH1 ARG 96 13.622 9.623 -6.600 750 HH12 ARG 96 2HH1 ARG 96 13.060 8.468 -7.756 751 HH21 ARG 96 1HH2 ARG 96 9.884 9.936 -8.136 752 HH22 ARG 96 2HH2 ARG 96 10.928 8.642 -8.631 753 H THR 97 H THR 97 9.756 14.152 -2.006 754 HA THR 97 HA THR 97 7.259 13.961 -0.797 755 HB THR 97 HB THR 97 8.525 16.239 -2.314 756 HG1 THR 97 1HG THR 97 8.239 15.646 0.466 757 HG21 THR 97 1HG2 THR 97 6.102 16.304 -0.502 758 HG22 THR 97 2HG2 THR 97 6.075 16.520 -2.251 759 HG23 THR 97 3HG2 THR 97 6.889 17.705 -1.231 760 H GLY 98 H GLY 98 5.450 13.157 -1.622 761 HA2 GLY 98 2HA GLY 98 3.549 13.286 -2.963 762 HA3 GLY 98 1HA GLY 98 4.460 14.230 -4.131 763 H GLU 99 H GLU 99 6.314 11.602 -3.336 764 HA GLU 99 HA GLU 99 5.581 10.321 -5.835 765 HB2 GLU 99 2HB GLU 99 7.893 9.846 -3.963 766 HB3 GLU 99 1HB GLU 99 7.624 8.951 -5.452 767 HG2 GLU 99 2HG GLU 99 8.092 11.913 -5.235 768 HG3 GLU 99 1HG GLU 99 9.263 10.699 -5.752 769 H MET 100 H MET 100 5.489 7.984 -5.960 770 HA MET 100 HA MET 100 4.341 6.750 -3.571 771 HB2 MET 100 2HB MET 100 2.528 7.606 -5.022 772 HB3 MET 100 1HB MET 100 3.164 6.652 -6.352 773 HG2 MET 100 2HG MET 100 2.650 4.610 -5.192 774 HG3 MET 100 1HG MET 100 2.140 5.511 -3.766 775 HE1 MET 100 1HE MET 100 1.406 4.754 -7.527 776 HE2 MET 100 2HE MET 100 1.416 6.517 -7.512 777 HE3 MET 100 3HE MET 100 -0.089 5.646 -7.803 778 H SER 101 H SER 101 5.036 4.743 -3.240 779 HA SER 101 HA SER 101 7.127 3.677 -4.856 780 HB2 SER 101 2HB SER 101 7.149 3.323 -2.447 781 HB3 SER 101 1HB SER 101 5.599 2.489 -2.524 782 HG SER 101 HG SER 101 6.556 0.791 -3.545 783 H GLY 102 H GLY 102 7.140 1.717 -6.008 784 HA2 GLY 102 2HA GLY 102 4.715 1.185 -7.434 785 HA3 GLY 102 1HA GLY 102 6.260 0.369 -7.649 786 HA PRO 103 HA PRO 103 3.229 -2.575 -5.686 787 HB2 PRO 103 2HB PRO 103 4.643 -4.459 -7.473 788 HB3 PRO 103 1HB PRO 103 2.908 -4.211 -7.252 789 HG2 PRO 103 2HG PRO 103 4.147 -3.382 -9.470 790 HG3 PRO 103 1HG PRO 103 2.837 -2.437 -8.740 791 HD2 PRO 103 2HD PRO 103 5.794 -2.005 -8.589 792 HD3 PRO 103 1HD PRO 103 4.491 -0.816 -8.805 793 H VAL 104 H VAL 104 4.097 -2.790 -3.685 794 HA VAL 104 HA VAL 104 6.686 -4.109 -3.377 795 HB VAL 104 HB VAL 104 4.848 -2.921 -1.280 796 HG11 VAL 104 1HG1 VAL 104 7.676 -3.931 -1.068 797 HG12 VAL 104 2HG1 VAL 104 6.245 -4.663 -0.343 798 HG13 VAL 104 3HG1 VAL 104 6.805 -3.084 0.209 799 HG21 VAL 104 1HG2 VAL 104 5.740 -1.209 -2.765 800 HG22 VAL 104 2HG2 VAL 104 7.375 -1.812 -2.499 801 HG23 VAL 104 3HG2 VAL 104 6.475 -1.088 -1.167 802 H PHE 105 H PHE 105 6.568 -6.237 -3.515 803 HA PHE 105 HA PHE 105 4.135 -7.660 -2.937 804 HB2 PHE 105 2HB PHE 105 6.835 -8.745 -3.745 805 HB3 PHE 105 1HB PHE 105 5.304 -9.615 -3.779 806 HD1 PHE 105 1HD PHE 105 7.462 -7.290 -5.497 807 HD2 PHE 105 2HD PHE 105 3.544 -8.941 -5.391 808 HE1 PHE 105 1HE PHE 105 7.066 -6.485 -7.785 809 HE2 PHE 105 2HE PHE 105 3.143 -8.141 -7.681 810 HZ PHE 105 HZ PHE 105 4.906 -6.911 -8.880 811 H THR 106 H THR 106 3.629 -8.791 -1.202 812 HA THR 106 HA THR 106 5.700 -9.598 0.693 813 HB THR 106 HB THR 106 4.240 -8.876 2.597 814 HG1 THR 106 1HG THR 106 2.746 -7.893 0.439 815 HG21 THR 106 1HG2 THR 106 5.193 -6.645 0.795 816 HG22 THR 106 2HG2 THR 106 6.174 -7.515 1.974 817 HG23 THR 106 3HG2 THR 106 4.845 -6.491 2.517 818 H ASP 107 H ASP 107 4.340 -10.860 2.563 819 HA ASP 107 HA ASP 107 3.204 -13.095 1.179 820 HB2 ASP 107 2HB ASP 107 3.410 -12.565 4.149 821 HB3 ASP 107 1HB ASP 107 3.002 -14.107 3.409 822 H SER 108 H SER 108 1.975 -10.391 2.992 823 HA SER 108 HA SER 108 -0.692 -11.396 3.236 824 HB2 SER 108 2HB SER 108 0.328 -8.547 3.412 825 HB3 SER 108 1HB SER 108 -1.258 -9.109 3.937 826 HG SER 108 HG SER 108 1.266 -9.536 5.086 827 H GLY 109 H GLY 109 1.029 -9.345 0.967 828 HA2 GLY 109 2HA GLY 109 -0.388 -9.912 -1.285 829 HA3 GLY 109 1HA GLY 109 -1.305 -8.615 -0.527 830 H ILE 110 H ILE 110 -0.883 -7.023 -1.981 831 HA ILE 110 HA ILE 110 1.953 -6.300 -2.289 832 HB ILE 110 HB ILE 110 -0.333 -5.555 -4.134 833 HG12 ILE 110 2HG1 ILE 110 1.883 -7.586 -4.517 834 HG13 ILE 110 1HG1 ILE 110 0.196 -7.972 -4.205 835 HG21 ILE 110 1HG2 ILE 110 2.652 -5.163 -4.378 836 HG22 ILE 110 2HG2 ILE 110 1.448 -3.900 -4.124 837 HG23 ILE 110 3HG2 ILE 110 1.474 -4.803 -5.638 838 HD11 ILE 110 1HD1 ILE 110 1.261 -6.545 -6.632 839 HD12 ILE 110 2HD1 ILE 110 -0.431 -6.938 -6.324 840 HD13 ILE 110 3HD1 ILE 110 0.747 -8.230 -6.555 841 H HIS 111 H HIS 111 2.610 -4.333 -1.659 842 HA HIS 111 HA HIS 111 0.585 -2.580 -0.419 843 HB2 HIS 111 2HB HIS 111 3.550 -2.789 0.178 844 HB3 HIS 111 1HB HIS 111 2.439 -1.676 0.951 845 HD1 HIS 111 1HD HIS 111 2.192 -2.471 3.298 846 HD2 HIS 111 2HD HIS 111 2.159 -5.615 0.580 847 HE1 HIS 111 1HE HIS 111 1.847 -4.535 4.665 848 HE2 HIS 111 2HE HIS 111 2.109 -6.422 3.034 849 H ILE 112 H ILE 112 0.437 -0.506 -1.035 850 HA ILE 112 HA ILE 112 2.443 0.550 -2.926 851 HB ILE 112 HB ILE 112 -0.451 1.425 -2.656 852 HG12 ILE 112 2HG1 ILE 112 0.811 -0.281 -4.819 853 HG13 ILE 112 1HG1 ILE 112 -0.299 -0.863 -3.583 854 HG21 ILE 112 1HG2 ILE 112 1.652 2.113 -4.704 855 HG22 ILE 112 2HG2 ILE 112 1.034 3.177 -3.440 856 HG23 ILE 112 3HG2 ILE 112 -0.031 2.644 -4.741 857 HD11 ILE 112 1HD1 ILE 112 -0.932 1.134 -5.748 858 HD12 ILE 112 2HD1 ILE 112 -2.049 0.601 -4.492 859 HD13 ILE 112 3HD1 ILE 112 -1.454 -0.550 -5.686 860 H ILE 113 H ILE 113 3.513 2.358 -2.217 861 HA ILE 113 HA ILE 113 2.618 3.457 0.379 862 HB ILE 113 HB ILE 113 5.433 3.599 -0.689 863 HG12 ILE 113 2HG1 ILE 113 4.329 1.511 1.198 864 HG13 ILE 113 1HG1 ILE 113 4.683 1.225 -0.501 865 HG21 ILE 113 1HG2 ILE 113 4.282 3.850 2.090 866 HG22 ILE 113 2HG2 ILE 113 4.881 5.170 1.086 867 HG23 ILE 113 3HG2 ILE 113 5.995 3.938 1.680 868 HD11 ILE 113 1HD1 ILE 113 6.676 2.008 1.612 869 HD12 ILE 113 2HD1 ILE 113 7.033 1.727 -0.093 870 HD13 ILE 113 3HD1 ILE 113 6.462 0.400 0.919 871 H LEU 114 H LEU 114 2.189 5.578 0.530 872 HA LEU 114 HA LEU 114 2.980 7.321 -1.716 873 HB2 LEU 114 2HB LEU 114 0.512 6.862 -1.411 874 HB3 LEU 114 1HB LEU 114 0.614 7.674 0.131 875 HG LEU 114 HG LEU 114 -0.364 9.016 -1.771 876 HD11 LEU 114 1HD1 LEU 114 2.053 10.169 -0.400 877 HD12 LEU 114 2HD1 LEU 114 0.409 10.116 0.236 878 HD13 LEU 114 3HD1 LEU 114 0.774 11.095 -1.184 879 HD21 LEU 114 1HD2 LEU 114 1.158 8.293 -3.529 880 HD22 LEU 114 2HD2 LEU 114 2.501 9.094 -2.710 881 HD23 LEU 114 3HD2 LEU 114 1.167 10.047 -3.359 882 H ARG 115 H ARG 115 4.346 8.903 -1.225 883 HA ARG 115 HA ARG 115 5.001 9.397 1.574 884 HB2 ARG 115 2HB ARG 115 6.810 8.959 -0.024 885 HB3 ARG 115 1HB ARG 115 6.318 10.354 -0.971 886 HG2 ARG 115 2HG ARG 115 8.254 10.880 0.362 887 HG3 ARG 115 1HG ARG 115 6.864 11.813 0.916 888 HD2 ARG 115 2HD ARG 115 6.531 10.218 2.742 889 HD3 ARG 115 1HD ARG 115 7.924 9.291 2.185 890 HE ARG 115 HE ARG 115 9.271 11.288 2.656 891 HH11 ARG 115 1HH1 ARG 115 6.196 10.859 4.307 892 HH12 ARG 115 2HH1 ARG 115 6.575 11.969 5.579 893 HH21 ARG 115 1HH2 ARG 115 9.799 12.717 4.347 894 HH22 ARG 115 2HH2 ARG 115 8.663 13.015 5.614 895 H THR 116 H THR 116 3.993 10.978 2.626 896 HA THR 116 HA THR 116 2.481 12.954 1.201 897 HB THR 116 HB THR 116 1.909 13.698 3.584 898 HG1 THR 116 1HG THR 116 3.205 12.791 5.018 899 HG21 THR 116 1HG2 THR 116 1.284 10.875 2.697 900 HG22 THR 116 2HG2 THR 116 0.422 12.329 2.193 901 HG23 THR 116 3HG2 THR 116 0.364 11.808 3.878 902 H GLU 117 H GLU 117 4.990 13.237 3.761 903 HA GLU 117 HA GLU 117 5.177 16.021 3.634 904 HB2 GLU 117 2HB GLU 117 7.159 13.973 4.599 905 HB3 GLU 117 1HB GLU 117 7.491 15.694 4.665 906 HG2 GLU 117 2HG GLU 117 6.720 15.121 6.798 907 HG3 GLU 117 1HG GLU 117 5.360 15.916 6.013 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 18.797 15.683 -0.359 2 H2 GLY 1 2HT GLY 1 17.838 14.297 -0.311 3 H3 GLY 1 3HT GLY 1 18.620 14.736 -1.745 4 HA2 GLY 1 1HA GLY 1 19.761 12.907 -0.679 5 HA3 GLY 1 2HA GLY 1 20.763 14.348 -0.756 6 H SER 2 H SER 2 18.394 12.764 1.393 7 HA SER 2 HA SER 2 19.221 14.063 3.735 8 HB2 SER 2 2HB SER 2 18.125 12.009 4.845 9 HB3 SER 2 1HB SER 2 17.110 13.007 3.803 10 HG SER 2 HG SER 2 18.296 10.498 3.226 11 H HIS 3 H HIS 3 20.763 13.608 5.243 12 HA HIS 3 HA HIS 3 22.952 11.951 4.372 13 HB2 HIS 3 2HB HIS 3 22.613 13.512 6.941 14 HB3 HIS 3 1HB HIS 3 24.100 12.743 6.407 15 HD1 HIS 3 1HD HIS 3 22.627 15.937 6.525 16 HD2 HIS 3 2HD HIS 3 24.763 13.871 3.623 17 HE1 HIS 3 1HE HIS 3 23.515 17.687 4.967 18 HE2 HIS 3 2HE HIS 3 24.684 16.411 3.149 19 H MET 4 H MET 4 20.712 11.937 7.113 20 HA MET 4 HA MET 4 21.406 9.111 7.538 21 HB2 MET 4 2HB MET 4 20.291 11.120 9.506 22 HB3 MET 4 1HB MET 4 20.543 9.416 9.848 23 HG2 MET 4 2HG MET 4 22.664 11.452 9.203 24 HG3 MET 4 1HG MET 4 22.332 10.737 10.781 25 HE1 MET 4 1HE MET 4 21.779 7.672 9.986 26 HE2 MET 4 2HE MET 4 22.753 8.182 11.364 27 HE3 MET 4 3HE MET 4 23.394 7.002 10.221 28 H GLU 5 H GLU 5 19.652 7.678 8.033 29 HA GLU 5 HA GLU 5 17.382 8.168 6.396 30 HB2 GLU 5 2HB GLU 5 17.868 5.956 8.404 31 HB3 GLU 5 1HB GLU 5 16.542 5.995 7.257 32 HG2 GLU 5 2HG GLU 5 18.161 4.533 6.372 33 HG3 GLU 5 1HG GLU 5 18.265 6.017 5.429 34 HA PRO 6 HA PRO 6 14.874 10.315 9.379 35 HB2 PRO 6 2HB PRO 6 12.457 9.803 8.133 36 HB3 PRO 6 1HB PRO 6 13.540 11.133 7.713 37 HG2 PRO 6 2HG PRO 6 13.189 8.482 6.390 38 HG3 PRO 6 1HG PRO 6 13.490 10.071 5.667 39 HD2 PRO 6 2HD PRO 6 15.421 8.212 5.925 40 HD3 PRO 6 1HD PRO 6 15.759 9.951 6.041 41 H ALA 7 H ALA 7 13.768 9.708 11.165 42 HA ALA 7 HA ALA 7 13.582 6.883 11.679 43 HB1 ALA 7 1HB ALA 7 13.075 7.535 13.963 44 HB2 ALA 7 2HB ALA 7 12.910 9.216 13.457 45 HB3 ALA 7 3HB ALA 7 14.478 8.416 13.358 46 H ARG 8 H ARG 8 11.347 9.598 11.442 47 HA ARG 8 HA ARG 8 9.140 7.678 11.189 48 HB2 ARG 8 2HB ARG 8 9.030 10.244 12.787 49 HB3 ARG 8 1HB ARG 8 7.693 9.139 12.518 50 HG2 ARG 8 2HG ARG 8 8.844 7.407 13.777 51 HG3 ARG 8 1HG ARG 8 10.223 8.483 14.014 52 HD2 ARG 8 2HD ARG 8 7.415 8.955 15.003 53 HD3 ARG 8 1HD ARG 8 8.778 8.420 15.983 54 HE ARG 8 HE ARG 8 9.603 10.760 14.815 55 HH11 ARG 8 1HH1 ARG 8 6.979 9.796 16.950 56 HH12 ARG 8 2HH1 ARG 8 6.834 11.348 17.690 57 HH21 ARG 8 1HH2 ARG 8 9.416 12.822 15.812 58 HH22 ARG 8 2HH2 ARG 8 8.230 13.078 17.038 59 H VAL 9 H VAL 9 8.075 7.979 9.355 60 HA VAL 9 HA VAL 9 7.927 10.696 8.234 61 HB VAL 9 HB VAL 9 8.101 9.809 5.966 62 HG11 VAL 9 1HG1 VAL 9 10.402 8.942 7.703 63 HG12 VAL 9 2HG1 VAL 9 10.146 10.551 7.029 64 HG13 VAL 9 3HG1 VAL 9 10.472 9.187 5.959 65 HG21 VAL 9 1HG2 VAL 9 7.180 7.585 6.336 66 HG22 VAL 9 2HG2 VAL 9 8.608 7.134 7.269 67 HG23 VAL 9 3HG2 VAL 9 8.754 7.481 5.547 68 H ARG 10 H ARG 10 6.088 10.998 6.760 69 HA ARG 10 HA ARG 10 3.810 9.387 7.653 70 HB2 ARG 10 2HB ARG 10 3.637 11.781 8.122 71 HB3 ARG 10 1HB ARG 10 3.895 12.143 6.422 72 HG2 ARG 10 2HG ARG 10 1.802 11.002 5.866 73 HG3 ARG 10 1HG ARG 10 1.539 10.667 7.578 74 HD2 ARG 10 2HD ARG 10 1.425 13.037 8.055 75 HD3 ARG 10 1HD ARG 10 1.806 13.421 6.377 76 HE ARG 10 HE ARG 10 -0.474 11.785 6.437 77 HH11 ARG 10 1HH1 ARG 10 0.514 15.070 7.248 78 HH12 ARG 10 2HH1 ARG 10 -1.079 15.723 7.066 79 HH21 ARG 10 1HH2 ARG 10 -2.579 12.674 6.180 80 HH22 ARG 10 2HH2 ARG 10 -2.844 14.357 6.456 81 H CYS 11 H CYS 11 3.207 7.871 6.294 82 HA CYS 11 HA CYS 11 3.123 8.469 3.433 83 HB2 CYS 11 2HB CYS 11 4.256 5.908 4.581 84 HB3 CYS 11 1HB CYS 11 4.059 6.284 2.874 85 HG CYS 11 HG CYS 11 6.723 6.544 3.189 86 H SER 12 H SER 12 1.440 7.556 2.372 87 HA SER 12 HA SER 12 -0.503 6.108 4.001 88 HB2 SER 12 2HB SER 12 -1.300 8.134 2.803 89 HB3 SER 12 1HB SER 12 -0.821 7.403 1.273 90 HG SER 12 HG SER 12 -3.129 7.138 2.492 91 H HIS 13 H HIS 13 -1.444 4.156 3.138 92 HA HIS 13 HA HIS 13 -0.031 2.920 0.937 93 HB2 HIS 13 2HB HIS 13 0.556 0.886 2.266 94 HB3 HIS 13 1HB HIS 13 1.465 2.324 2.712 95 HD1 HIS 13 1HD HIS 13 -0.533 -0.360 4.143 96 HD2 HIS 13 2HD HIS 13 0.442 3.540 5.194 97 HE1 HIS 13 1HE HIS 13 -1.031 -0.178 6.586 98 HE2 HIS 13 2HE HIS 13 -0.713 2.256 7.105 99 H LEU 14 H LEU 14 -1.153 1.494 -0.142 100 HA LEU 14 HA LEU 14 -3.838 0.796 0.832 101 HB2 LEU 14 2HB LEU 14 -3.604 2.139 -1.298 102 HB3 LEU 14 1HB LEU 14 -2.760 0.782 -2.002 103 HG LEU 14 HG LEU 14 -5.604 0.537 -1.011 104 HD11 LEU 14 1HD1 LEU 14 -4.653 1.327 -3.762 105 HD12 LEU 14 2HD1 LEU 14 -5.546 2.347 -2.633 106 HD13 LEU 14 3HD1 LEU 14 -6.312 0.920 -3.326 107 HD21 LEU 14 1HD2 LEU 14 -4.392 -1.558 -1.424 108 HD22 LEU 14 2HD2 LEU 14 -4.011 -1.016 -3.059 109 HD23 LEU 14 3HD2 LEU 14 -5.687 -1.323 -2.600 110 H LEU 15 H LEU 15 -4.257 -1.296 1.226 111 HA LEU 15 HA LEU 15 -2.211 -3.251 0.436 112 HB2 LEU 15 2HB LEU 15 -2.193 -3.158 2.784 113 HB3 LEU 15 1HB LEU 15 -3.938 -3.081 2.884 114 HG LEU 15 HG LEU 15 -4.132 -5.432 2.301 115 HD11 LEU 15 1HD1 LEU 15 -1.123 -5.467 2.118 116 HD12 LEU 15 2HD1 LEU 15 -2.240 -5.590 0.758 117 HD13 LEU 15 3HD1 LEU 15 -2.196 -6.860 1.981 118 HD21 LEU 15 1HD2 LEU 15 -3.752 -4.824 4.651 119 HD22 LEU 15 2HD2 LEU 15 -2.021 -5.043 4.411 120 HD23 LEU 15 3HD2 LEU 15 -3.114 -6.418 4.258 121 H VAL 16 H VAL 16 -2.863 -4.277 -1.282 122 HA VAL 16 HA VAL 16 -5.640 -5.189 -1.388 123 HB VAL 16 HB VAL 16 -5.002 -3.903 -3.357 124 HG11 VAL 16 1HG1 VAL 16 -2.781 -5.901 -3.730 125 HG12 VAL 16 2HG1 VAL 16 -2.602 -4.200 -3.306 126 HG13 VAL 16 3HG1 VAL 16 -3.239 -4.652 -4.887 127 HG21 VAL 16 1HG2 VAL 16 -6.543 -5.741 -3.717 128 HG22 VAL 16 2HG2 VAL 16 -5.194 -6.850 -3.974 129 HG23 VAL 16 3HG2 VAL 16 -5.493 -5.544 -5.120 130 H LYS 17 H LYS 17 -6.033 -7.235 -0.934 131 HA LYS 17 HA LYS 17 -3.789 -9.049 -0.602 132 HB2 LYS 17 2HB LYS 17 -6.715 -9.350 0.056 133 HB3 LYS 17 1HB LYS 17 -5.511 -10.592 0.344 134 HG2 LYS 17 2HG LYS 17 -4.338 -9.067 1.874 135 HG3 LYS 17 1HG LYS 17 -5.603 -7.862 1.609 136 HD2 LYS 17 2HD LYS 17 -7.274 -9.450 2.456 137 HD3 LYS 17 1HD LYS 17 -5.998 -10.632 2.741 138 HE2 LYS 17 2HE LYS 17 -4.937 -9.067 4.317 139 HE3 LYS 17 1HE LYS 17 -6.262 -7.934 4.056 140 HZ1 LYS 17 1HZ LYS 17 -6.477 -10.657 5.216 141 HZ2 LYS 17 2HZ LYS 17 -7.796 -9.652 4.889 142 HZ3 LYS 17 3HZ LYS 17 -6.653 -9.196 6.047 143 H HIS 18 H HIS 18 -4.448 -11.430 -1.161 144 HA HIS 18 HA HIS 18 -5.984 -11.870 -3.476 145 HB2 HIS 18 2HB HIS 18 -4.186 -12.453 -5.056 146 HB3 HIS 18 1HB HIS 18 -4.101 -10.759 -4.608 147 HD1 HIS 18 1HD HIS 18 -2.078 -13.723 -4.932 148 HD2 HIS 18 2HD HIS 18 -1.956 -10.283 -2.603 149 HE1 HIS 18 1HE HIS 18 0.286 -13.547 -4.109 150 HE2 HIS 18 2HE HIS 18 0.304 -11.548 -2.589 151 H SER 19 H SER 19 -5.029 -14.176 -4.418 152 HA SER 19 HA SER 19 -5.801 -16.127 -2.717 153 HB2 SER 19 2HB SER 19 -4.313 -17.648 -4.134 154 HB3 SER 19 1HB SER 19 -5.499 -16.664 -4.992 155 HG SER 19 HG SER 19 -3.366 -16.647 -5.921 156 H GLN 20 H GLN 20 -2.350 -15.513 -3.349 157 HA GLN 20 HA GLN 20 -1.615 -16.958 -0.971 158 HB2 GLN 20 2HB GLN 20 0.135 -15.365 -2.853 159 HB3 GLN 20 1HB GLN 20 0.691 -16.494 -1.625 160 HG2 GLN 20 2HG GLN 20 -0.891 -17.151 -4.099 161 HG3 GLN 20 1HG GLN 20 0.800 -17.535 -3.785 162 HE21 GLN 20 1HE2 GLN 20 -1.479 -19.266 -4.393 163 HE22 GLN 20 2HE2 GLN 20 -1.575 -20.401 -3.093 164 H SER 21 H SER 21 -2.339 -15.868 0.772 165 HA SER 21 HA SER 21 -0.868 -13.506 1.533 166 HB2 SER 21 2HB SER 21 -2.827 -12.559 0.346 167 HB3 SER 21 1HB SER 21 -3.903 -13.478 1.393 168 HG SER 21 HG SER 21 -2.552 -11.121 1.878 169 H ARG 22 H ARG 22 -1.746 -12.858 3.836 170 HA ARG 22 HA ARG 22 -1.356 -15.111 5.516 171 HB2 ARG 22 2HB ARG 22 -2.354 -12.350 6.244 172 HB3 ARG 22 1HB ARG 22 -1.722 -13.547 7.365 173 HG2 ARG 22 2HG ARG 22 -0.158 -12.239 5.146 174 HG3 ARG 22 1HG ARG 22 -0.090 -11.796 6.853 175 HD2 ARG 22 2HD ARG 22 0.643 -14.488 5.705 176 HD3 ARG 22 1HD ARG 22 1.783 -13.236 6.191 177 HE ARG 22 HE ARG 22 0.212 -13.702 8.396 178 HH11 ARG 22 1HH1 ARG 22 2.381 -15.570 6.392 179 HH12 ARG 22 2HH1 ARG 22 2.839 -16.653 7.655 180 HH21 ARG 22 1HH2 ARG 22 0.801 -15.121 10.078 181 HH22 ARG 22 2HH2 ARG 22 1.927 -16.398 9.780 182 H ARG 23 H ARG 23 -4.140 -13.288 4.467 183 HA ARG 23 HA ARG 23 -5.904 -15.459 4.995 184 HB2 ARG 23 2HB ARG 23 -5.744 -14.447 7.260 185 HB3 ARG 23 1HB ARG 23 -6.304 -12.922 6.594 186 HG2 ARG 23 2HG ARG 23 -8.436 -13.915 6.027 187 HG3 ARG 23 1HG ARG 23 -7.876 -15.490 6.592 188 HD2 ARG 23 2HD ARG 23 -7.557 -14.521 8.844 189 HD3 ARG 23 1HD ARG 23 -8.228 -13.001 8.256 190 HE ARG 23 HE ARG 23 -10.083 -14.984 7.683 191 HH11 ARG 23 1HH1 ARG 23 -8.621 -13.571 10.543 192 HH12 ARG 23 2HH1 ARG 23 -9.999 -13.877 11.544 193 HH21 ARG 23 1HH2 ARG 23 -11.904 -15.381 9.021 194 HH22 ARG 23 2HH2 ARG 23 -11.857 -14.894 10.681 195 HA PRO 24 HA PRO 24 -7.267 -13.028 1.440 196 HB2 PRO 24 2HB PRO 24 -8.695 -15.005 0.278 197 HB3 PRO 24 1HB PRO 24 -6.929 -14.946 0.200 198 HG2 PRO 24 2HG PRO 24 -8.692 -16.560 2.002 199 HG3 PRO 24 1HG PRO 24 -7.229 -17.056 1.131 200 HD2 PRO 24 2HD PRO 24 -7.236 -16.405 3.770 201 HD3 PRO 24 1HD PRO 24 -5.831 -16.154 2.716 202 H SER 25 H SER 25 -8.540 -12.388 3.740 203 HA SER 25 HA SER 25 -11.340 -12.326 2.899 204 HB2 SER 25 2HB SER 25 -10.411 -12.858 5.736 205 HB3 SER 25 1HB SER 25 -12.084 -12.649 5.223 206 HG SER 25 HG SER 25 -11.711 -14.484 3.805 207 H SER 26 H SER 26 -12.389 -10.406 3.357 208 HA SER 26 HA SER 26 -11.134 -8.413 5.016 209 HB2 SER 26 2HB SER 26 -10.962 -6.733 3.249 210 HB3 SER 26 1HB SER 26 -9.968 -8.135 2.858 211 HG SER 26 HG SER 26 -11.124 -7.518 1.033 212 H TRP 27 H TRP 27 -12.504 -6.238 4.426 213 HA TRP 27 HA TRP 27 -15.212 -6.872 5.104 214 HB2 TRP 27 2HB TRP 27 -15.525 -4.431 5.180 215 HB3 TRP 27 1HB TRP 27 -14.090 -4.915 6.074 216 HD1 TRP 27 HD TRP 27 -11.677 -4.367 4.863 217 HE1 TRP 27 1HE TRP 27 -11.027 -2.477 3.247 218 HE3 TRP 27 3HE TRP 27 -16.355 -2.957 3.342 219 HZ2 TRP 27 2HZ TRP 27 -12.320 -0.629 1.561 220 HZ3 TRP 27 3HZ TRP 27 -16.554 -1.115 1.723 221 HH2 TRP 27 HH TRP 27 -14.580 0.024 0.853 222 H ARG 28 H ARG 28 -13.535 -6.703 2.230 223 HA ARG 28 HA ARG 28 -15.830 -5.771 0.679 224 HB2 ARG 28 2HB ARG 28 -13.050 -6.472 -0.271 225 HB3 ARG 28 1HB ARG 28 -14.322 -5.735 -1.234 226 HG2 ARG 28 2HG ARG 28 -14.274 -3.822 0.419 227 HG3 ARG 28 1HG ARG 28 -12.789 -4.536 1.046 228 HD2 ARG 28 2HD ARG 28 -13.275 -3.660 -1.791 229 HD3 ARG 28 1HD ARG 28 -12.327 -2.783 -0.592 230 HE ARG 28 HE ARG 28 -11.001 -5.068 -0.626 231 HH11 ARG 28 1HH1 ARG 28 -12.377 -3.320 -3.341 232 HH12 ARG 28 2HH1 ARG 28 -11.143 -3.806 -4.442 233 HH21 ARG 28 1HH2 ARG 28 -9.326 -5.676 -2.076 234 HH22 ARG 28 2HH2 ARG 28 -9.401 -5.127 -3.726 235 H GLN 29 H GLN 29 -13.628 -8.543 0.914 236 HA GLN 29 HA GLN 29 -15.789 -10.204 -0.165 237 HB2 GLN 29 2HB GLN 29 -12.882 -10.413 -0.969 238 HB3 GLN 29 1HB GLN 29 -14.159 -11.515 -1.460 239 HG2 GLN 29 2HG GLN 29 -15.286 -9.578 -2.565 240 HG3 GLN 29 1HG GLN 29 -13.848 -8.622 -2.212 241 HE21 GLN 29 1HE2 GLN 29 -15.175 -11.211 -4.083 242 HE22 GLN 29 2HE2 GLN 29 -13.875 -11.341 -5.214 243 H GLU 30 H GLU 30 -16.107 -12.051 0.929 244 HA GLU 30 HA GLU 30 -14.654 -12.498 3.336 245 HB2 GLU 30 2HB GLU 30 -16.058 -14.520 3.556 246 HB3 GLU 30 1HB GLU 30 -16.999 -13.072 3.236 247 HG2 GLU 30 2HG GLU 30 -17.267 -13.723 0.924 248 HG3 GLU 30 1HG GLU 30 -16.240 -15.134 1.179 249 H LYS 31 H LYS 31 -14.549 -13.762 0.106 250 HA LYS 31 HA LYS 31 -12.089 -15.163 0.816 251 HB2 LYS 31 2HB LYS 31 -13.798 -16.883 0.574 252 HB3 LYS 31 1HB LYS 31 -14.257 -16.236 -0.997 253 HG2 LYS 31 2HG LYS 31 -11.943 -16.729 -1.791 254 HG3 LYS 31 1HG LYS 31 -11.654 -17.548 -0.258 255 HD2 LYS 31 2HD LYS 31 -13.433 -19.120 -0.733 256 HD3 LYS 31 1HD LYS 31 -13.823 -18.262 -2.225 257 HE2 LYS 31 2HE LYS 31 -11.519 -18.745 -3.030 258 HE3 LYS 31 1HE LYS 31 -11.264 -19.720 -1.585 259 HZ1 LYS 31 1HZ LYS 31 -13.334 -20.209 -3.648 260 HZ2 LYS 31 2HZ LYS 31 -13.075 -21.150 -2.275 261 HZ3 LYS 31 3HZ LYS 31 -11.892 -21.076 -3.481 262 H ILE 32 H ILE 32 -10.638 -13.945 -0.112 263 HA ILE 32 HA ILE 32 -11.125 -12.645 -2.635 264 HB ILE 32 HB ILE 32 -8.644 -12.770 -0.904 265 HG12 ILE 32 2HG1 ILE 32 -10.698 -10.580 -1.288 266 HG13 ILE 32 1HG1 ILE 32 -10.593 -11.636 0.114 267 HG21 ILE 32 1HG2 ILE 32 -9.240 -11.027 -3.293 268 HG22 ILE 32 2HG2 ILE 32 -8.082 -12.357 -3.240 269 HG23 ILE 32 3HG2 ILE 32 -7.814 -10.915 -2.260 270 HD11 ILE 32 1HD1 ILE 32 -8.539 -9.636 -0.777 271 HD12 ILE 32 2HD1 ILE 32 -8.376 -10.718 0.607 272 HD13 ILE 32 3HD1 ILE 32 -9.634 -9.481 0.597 273 H THR 33 H THR 33 -11.173 -13.946 -4.332 274 HA THR 33 HA THR 33 -9.549 -16.334 -4.429 275 HB THR 33 HB THR 33 -11.444 -15.356 -6.566 276 HG1 THR 33 1HG THR 33 -12.830 -15.483 -4.932 277 HG21 THR 33 1HG2 THR 33 -10.561 -18.129 -5.730 278 HG22 THR 33 2HG2 THR 33 -9.983 -17.255 -7.148 279 HG23 THR 33 3HG2 THR 33 -11.672 -17.751 -7.047 280 H ARG 34 H ARG 34 -9.428 -13.118 -5.685 281 HA ARG 34 HA ARG 34 -8.226 -13.390 -8.150 282 HB2 ARG 34 2HB ARG 34 -7.432 -11.144 -7.943 283 HB3 ARG 34 1HB ARG 34 -8.958 -11.226 -7.079 284 HG2 ARG 34 2HG ARG 34 -7.716 -11.404 -4.961 285 HG3 ARG 34 1HG ARG 34 -6.206 -11.252 -5.854 286 HD2 ARG 34 2HD ARG 34 -6.651 -9.096 -5.038 287 HD3 ARG 34 1HD ARG 34 -7.137 -9.049 -6.730 288 HE ARG 34 HE ARG 34 -9.440 -9.238 -5.985 289 HH11 ARG 34 1HH1 ARG 34 -7.065 -8.365 -3.535 290 HH12 ARG 34 2HH1 ARG 34 -8.213 -7.569 -2.505 291 HH21 ARG 34 1HH2 ARG 34 -10.971 -8.194 -4.610 292 HH22 ARG 34 2HH2 ARG 34 -10.439 -7.479 -3.129 293 H THR 35 H THR 35 -6.361 -14.114 -8.893 294 HA THR 35 HA THR 35 -4.403 -15.216 -7.133 295 HB THR 35 HB THR 35 -4.945 -16.264 -9.318 296 HG1 THR 35 1HG THR 35 -2.546 -16.188 -10.068 297 HG21 THR 35 1HG2 THR 35 -5.275 -14.192 -10.598 298 HG22 THR 35 2HG2 THR 35 -4.140 -15.284 -11.390 299 HG23 THR 35 3HG2 THR 35 -3.542 -13.880 -10.512 300 H LYS 36 H LYS 36 -1.970 -14.733 -7.872 301 HA LYS 36 HA LYS 36 -1.394 -12.115 -6.946 302 HB2 LYS 36 2HB LYS 36 0.117 -14.058 -6.644 303 HB3 LYS 36 1HB LYS 36 0.435 -14.053 -8.372 304 HG2 LYS 36 2HG LYS 36 1.358 -11.760 -8.138 305 HG3 LYS 36 1HG LYS 36 1.161 -11.910 -6.389 306 HD2 LYS 36 2HD LYS 36 2.626 -13.870 -6.399 307 HD3 LYS 36 1HD LYS 36 2.824 -13.712 -8.143 308 HE2 LYS 36 2HE LYS 36 3.775 -11.439 -7.758 309 HE3 LYS 36 1HE LYS 36 3.707 -11.758 -6.026 310 HZ1 LYS 36 1HZ LYS 36 5.248 -13.323 -8.019 311 HZ2 LYS 36 2HZ LYS 36 5.174 -13.654 -6.366 312 HZ3 LYS 36 3HZ LYS 36 5.893 -12.225 -6.910 313 H GLU 37 H GLU 37 -1.326 -13.633 -10.124 314 HA GLU 37 HA GLU 37 -0.296 -11.562 -11.652 315 HB2 GLU 37 2HB GLU 37 -2.493 -13.478 -12.481 316 HB3 GLU 37 1HB GLU 37 -1.451 -12.571 -13.561 317 HG2 GLU 37 2HG GLU 37 -0.595 -14.747 -13.575 318 HG3 GLU 37 1HG GLU 37 0.486 -13.849 -12.514 319 H GLU 38 H GLU 38 -3.666 -12.228 -10.801 320 HA GLU 38 HA GLU 38 -4.851 -10.072 -12.131 321 HB2 GLU 38 2HB GLU 38 -5.700 -11.709 -9.757 322 HB3 GLU 38 1HB GLU 38 -6.698 -10.410 -10.392 323 HG2 GLU 38 2HG GLU 38 -5.766 -12.804 -11.953 324 HG3 GLU 38 1HG GLU 38 -7.368 -12.604 -11.238 325 H ALA 39 H ALA 39 -3.518 -10.348 -8.887 326 HA ALA 39 HA ALA 39 -4.391 -7.789 -8.017 327 HB1 ALA 39 1HB ALA 39 -2.889 -8.127 -6.128 328 HB2 ALA 39 2HB ALA 39 -2.138 -9.491 -6.955 329 HB3 ALA 39 3HB ALA 39 -3.824 -9.587 -6.450 330 H LEU 40 H LEU 40 -1.372 -9.007 -9.402 331 HA LEU 40 HA LEU 40 0.116 -6.638 -9.126 332 HB2 LEU 40 2HB LEU 40 1.100 -8.845 -9.603 333 HB3 LEU 40 1HB LEU 40 0.397 -8.805 -11.206 334 HG LEU 40 HG LEU 40 1.794 -6.851 -11.763 335 HD11 LEU 40 1HD1 LEU 40 2.954 -7.296 -9.020 336 HD12 LEU 40 2HD1 LEU 40 2.067 -5.876 -9.576 337 HD13 LEU 40 3HD1 LEU 40 3.650 -6.251 -10.255 338 HD21 LEU 40 1HD2 LEU 40 2.576 -9.095 -12.301 339 HD22 LEU 40 2HD2 LEU 40 3.328 -9.224 -10.711 340 HD23 LEU 40 3HD2 LEU 40 3.926 -8.043 -11.876 341 H GLU 41 H GLU 41 -1.898 -7.842 -11.779 342 HA GLU 41 HA GLU 41 -1.390 -5.640 -13.497 343 HB2 GLU 41 2HB GLU 41 -3.661 -7.611 -13.423 344 HB3 GLU 41 1HB GLU 41 -3.438 -6.420 -14.694 345 HG2 GLU 41 2HG GLU 41 -1.166 -7.447 -15.069 346 HG3 GLU 41 1HG GLU 41 -1.694 -8.754 -14.011 347 H LEU 42 H LEU 42 -3.678 -6.256 -10.957 348 HA LEU 42 HA LEU 42 -5.465 -4.154 -11.494 349 HB2 LEU 42 2HB LEU 42 -5.972 -6.036 -10.015 350 HB3 LEU 42 1HB LEU 42 -4.752 -5.487 -8.887 351 HG LEU 42 HG LEU 42 -6.063 -3.455 -8.474 352 HD11 LEU 42 1HD1 LEU 42 -8.102 -4.761 -10.272 353 HD12 LEU 42 2HD1 LEU 42 -7.218 -3.273 -10.606 354 HD13 LEU 42 3HD1 LEU 42 -8.378 -3.329 -9.282 355 HD21 LEU 42 1HD2 LEU 42 -6.312 -5.421 -7.053 356 HD22 LEU 42 2HD2 LEU 42 -7.595 -6.021 -8.105 357 HD23 LEU 42 3HD2 LEU 42 -7.823 -4.529 -7.195 358 H ILE 43 H ILE 43 -2.371 -4.311 -9.889 359 HA ILE 43 HA ILE 43 -2.410 -1.877 -8.513 360 HB ILE 43 HB ILE 43 -0.031 -3.201 -9.840 361 HG12 ILE 43 2HG1 ILE 43 -1.117 -4.718 -8.277 362 HG13 ILE 43 1HG1 ILE 43 0.406 -4.153 -7.600 363 HG21 ILE 43 1HG2 ILE 43 -0.129 -1.163 -7.617 364 HG22 ILE 43 2HG2 ILE 43 0.407 -0.869 -9.271 365 HG23 ILE 43 3HG2 ILE 43 1.325 -1.953 -8.228 366 HD11 ILE 43 1HD1 ILE 43 -2.346 -3.176 -6.870 367 HD12 ILE 43 2HD1 ILE 43 -0.834 -2.544 -6.219 368 HD13 ILE 43 3HD1 ILE 43 -1.300 -4.213 -5.901 369 H ASN 44 H ASN 44 -1.611 -2.644 -11.862 370 HA ASN 44 HA ASN 44 -0.687 -0.141 -12.692 371 HB2 ASN 44 2HB ASN 44 -2.240 -2.213 -14.266 372 HB3 ASN 44 1HB ASN 44 -1.435 -0.824 -14.981 373 HD21 ASN 44 1HD2 ASN 44 -0.057 -2.003 -16.213 374 HD22 ASN 44 2HD2 ASN 44 1.237 -2.951 -15.565 375 H GLY 45 H GLY 45 -3.945 -1.446 -12.450 376 HA2 GLY 45 2HA GLY 45 -5.341 0.656 -13.672 377 HA3 GLY 45 1HA GLY 45 -6.005 -0.449 -12.475 378 H TYR 46 H TYR 46 -4.265 0.218 -10.339 379 HA TYR 46 HA TYR 46 -5.575 2.553 -9.359 380 HB2 TYR 46 2HB TYR 46 -3.216 1.025 -8.237 381 HB3 TYR 46 1HB TYR 46 -4.070 2.306 -7.394 382 HD1 TYR 46 1HD TYR 46 -3.640 -1.013 -7.294 383 HD2 TYR 46 2HD TYR 46 -6.848 1.752 -7.669 384 HE1 TYR 46 1HE TYR 46 -5.169 -2.679 -6.350 385 HE2 TYR 46 2HE TYR 46 -8.394 0.087 -6.720 386 HH TYR 46 HH TYR 46 -7.323 -2.702 -5.145 387 H ILE 47 H ILE 47 -2.239 1.821 -10.315 388 HA ILE 47 HA ILE 47 -1.051 4.260 -9.749 389 HB ILE 47 HB ILE 47 -0.382 2.349 -12.000 390 HG12 ILE 47 2HG1 ILE 47 0.779 2.640 -9.218 391 HG13 ILE 47 1HG1 ILE 47 -0.298 1.352 -9.747 392 HG21 ILE 47 1HG2 ILE 47 1.291 4.559 -10.802 393 HG22 ILE 47 2HG2 ILE 47 0.587 4.546 -12.418 394 HG23 ILE 47 3HG2 ILE 47 1.840 3.381 -11.995 395 HD11 ILE 47 1HD1 ILE 47 2.467 1.885 -10.808 396 HD12 ILE 47 2HD1 ILE 47 1.395 0.584 -11.326 397 HD13 ILE 47 3HD1 ILE 47 2.016 0.613 -9.675 398 H GLN 48 H GLN 48 -2.693 3.266 -12.745 399 HA GLN 48 HA GLN 48 -2.144 5.599 -14.208 400 HB2 GLN 48 2HB GLN 48 -4.487 3.706 -14.417 401 HB3 GLN 48 1HB GLN 48 -4.119 4.963 -15.590 402 HG2 GLN 48 2HG GLN 48 -2.428 2.571 -14.909 403 HG3 GLN 48 1HG GLN 48 -3.316 2.861 -16.404 404 HE21 GLN 48 1HE2 GLN 48 -2.545 4.395 -17.854 405 HE22 GLN 48 2HE2 GLN 48 -0.918 4.975 -17.796 406 H LYS 49 H LYS 49 -4.822 4.806 -12.048 407 HA LYS 49 HA LYS 49 -6.291 7.179 -12.513 408 HB2 LYS 49 2HB LYS 49 -6.281 5.336 -10.119 409 HB3 LYS 49 1HB LYS 49 -7.453 6.618 -10.385 410 HG2 LYS 49 2HG LYS 49 -8.217 5.512 -12.418 411 HG3 LYS 49 1HG LYS 49 -7.022 4.235 -12.174 412 HD2 LYS 49 2HD LYS 49 -8.101 3.661 -10.038 413 HD3 LYS 49 1HD LYS 49 -9.310 4.914 -10.325 414 HE2 LYS 49 2HE LYS 49 -10.189 2.736 -10.945 415 HE3 LYS 49 1HE LYS 49 -10.013 3.755 -12.368 416 HZ1 LYS 49 1HZ LYS 49 -7.927 2.603 -12.866 417 HZ2 LYS 49 2HZ LYS 49 -9.227 1.528 -12.811 418 HZ3 LYS 49 3HZ LYS 49 -8.151 1.612 -11.515 419 H ILE 50 H ILE 50 -3.745 6.331 -10.263 420 HA ILE 50 HA ILE 50 -3.912 8.677 -8.671 421 HB ILE 50 HB ILE 50 -1.554 6.823 -9.095 422 HG12 ILE 50 2HG1 ILE 50 -3.561 6.846 -6.836 423 HG13 ILE 50 1HG1 ILE 50 -3.676 5.775 -8.228 424 HG21 ILE 50 1HG2 ILE 50 -2.089 8.837 -6.906 425 HG22 ILE 50 2HG2 ILE 50 -0.861 8.969 -8.165 426 HG23 ILE 50 3HG2 ILE 50 -0.740 7.700 -6.946 427 HD11 ILE 50 1HD1 ILE 50 -1.401 5.851 -6.258 428 HD12 ILE 50 2HD1 ILE 50 -1.553 4.754 -7.631 429 HD13 ILE 50 3HD1 ILE 50 -2.701 4.658 -6.294 430 H LYS 51 H LYS 51 -1.833 7.757 -11.411 431 HA LYS 51 HA LYS 51 -0.337 10.169 -11.386 432 HB2 LYS 51 2HB LYS 51 -0.745 8.175 -13.605 433 HB3 LYS 51 1HB LYS 51 0.424 9.485 -13.642 434 HG2 LYS 51 2HG LYS 51 1.461 8.479 -11.587 435 HG3 LYS 51 1HG LYS 51 0.395 7.094 -11.820 436 HD2 LYS 51 2HD LYS 51 2.475 8.115 -13.754 437 HD3 LYS 51 1HD LYS 51 2.558 6.632 -12.805 438 HE2 LYS 51 2HE LYS 51 0.615 5.751 -14.007 439 HE3 LYS 51 1HE LYS 51 0.511 7.243 -14.934 440 HZ1 LYS 51 1HZ LYS 51 2.817 5.380 -14.964 441 HZ2 LYS 51 2HZ LYS 51 2.656 6.787 -15.890 442 HZ3 LYS 51 3HZ LYS 51 1.621 5.477 -16.157 443 H SER 52 H SER 52 -3.167 9.130 -13.248 444 HA SER 52 HA SER 52 -3.243 11.492 -14.835 445 HB2 SER 52 2HB SER 52 -4.253 9.406 -15.618 446 HB3 SER 52 1HB SER 52 -5.396 9.435 -14.281 447 HG SER 52 HG SER 52 -6.577 10.881 -15.294 448 H GLY 53 H GLY 53 -4.450 10.648 -11.693 449 HA2 GLY 53 2HA GLY 53 -5.194 12.161 -10.079 450 HA3 GLY 53 1HA GLY 53 -5.370 13.382 -11.335 451 H GLU 54 H GLU 54 -6.662 10.149 -11.501 452 HA GLU 54 HA GLU 54 -9.300 11.146 -12.043 453 HB2 GLU 54 2HB GLU 54 -8.477 8.287 -11.499 454 HB3 GLU 54 1HB GLU 54 -9.910 8.837 -12.353 455 HG2 GLU 54 2HG GLU 54 -7.077 9.177 -13.298 456 HG3 GLU 54 1HG GLU 54 -8.198 7.937 -13.853 457 H GLU 55 H GLU 55 -8.143 8.788 -9.682 458 HA GLU 55 HA GLU 55 -10.180 9.735 -7.794 459 HB2 GLU 55 2HB GLU 55 -8.773 7.073 -8.021 460 HB3 GLU 55 1HB GLU 55 -9.870 7.505 -6.719 461 HG2 GLU 55 2HG GLU 55 -10.616 7.402 -9.633 462 HG3 GLU 55 1HG GLU 55 -10.911 6.113 -8.466 463 H ASP 56 H ASP 56 -9.568 9.879 -5.573 464 HA ASP 56 HA ASP 56 -6.888 10.913 -5.244 465 HB2 ASP 56 2HB ASP 56 -9.176 10.645 -3.277 466 HB3 ASP 56 1HB ASP 56 -7.654 11.460 -2.943 467 H PHE 57 H PHE 57 -5.250 10.005 -4.017 468 HA PHE 57 HA PHE 57 -5.191 7.206 -3.878 469 HB2 PHE 57 2HB PHE 57 -3.151 8.635 -4.013 470 HB3 PHE 57 1HB PHE 57 -3.406 9.095 -2.332 471 HD1 PHE 57 1HD PHE 57 -2.771 7.655 -0.552 472 HD2 PHE 57 2HD PHE 57 -2.633 6.282 -4.572 473 HE1 PHE 57 1HE PHE 57 -1.532 5.656 0.175 474 HE2 PHE 57 2HE PHE 57 -1.395 4.285 -3.854 475 HZ PHE 57 HZ PHE 57 -0.843 3.969 -1.477 476 H GLU 58 H GLU 58 -5.671 9.617 -1.311 477 HA GLU 58 HA GLU 58 -5.890 7.858 0.841 478 HB2 GLU 58 2HB GLU 58 -7.296 10.481 0.348 479 HB3 GLU 58 1HB GLU 58 -7.352 9.620 1.877 480 HG2 GLU 58 2HG GLU 58 -4.911 9.820 2.055 481 HG3 GLU 58 1HG GLU 58 -4.895 10.736 0.548 482 H SER 59 H SER 59 -8.258 8.831 -1.552 483 HA SER 59 HA SER 59 -10.484 7.571 -0.337 484 HB2 SER 59 2HB SER 59 -10.619 9.387 -2.052 485 HB3 SER 59 1HB SER 59 -10.060 8.233 -3.259 486 HG SER 59 HG SER 59 -12.168 8.039 -3.451 487 H LEU 60 H LEU 60 -8.275 6.619 -2.967 488 HA LEU 60 HA LEU 60 -9.387 4.113 -3.519 489 HB2 LEU 60 2HB LEU 60 -6.524 5.036 -3.738 490 HB3 LEU 60 1HB LEU 60 -7.127 3.537 -4.412 491 HG LEU 60 HG LEU 60 -8.042 6.297 -5.222 492 HD11 LEU 60 1HD1 LEU 60 -6.236 4.336 -6.631 493 HD12 LEU 60 2HD1 LEU 60 -5.744 5.865 -5.902 494 HD13 LEU 60 3HD1 LEU 60 -6.826 5.859 -7.295 495 HD21 LEU 60 1HD2 LEU 60 -9.795 4.646 -5.505 496 HD22 LEU 60 2HD2 LEU 60 -8.677 3.568 -6.339 497 HD23 LEU 60 3HD2 LEU 60 -9.138 5.101 -7.076 498 H ALA 61 H ALA 61 -6.878 5.060 -1.224 499 HA ALA 61 HA ALA 61 -6.249 2.467 -0.317 500 HB1 ALA 61 1HB ALA 61 -5.126 3.575 1.530 501 HB2 ALA 61 2HB ALA 61 -5.948 5.088 1.144 502 HB3 ALA 61 3HB ALA 61 -4.782 4.403 0.011 503 H SER 62 H SER 62 -8.983 4.404 0.245 504 HA SER 62 HA SER 62 -9.623 3.029 2.743 505 HB2 SER 62 2HB SER 62 -11.125 5.241 1.339 506 HB3 SER 62 1HB SER 62 -11.414 4.640 2.971 507 HG SER 62 HG SER 62 -9.192 6.083 1.982 508 H GLN 63 H GLN 63 -10.427 3.060 -0.610 509 HA GLN 63 HA GLN 63 -12.909 1.581 -0.132 510 HB2 GLN 63 2HB GLN 63 -11.837 2.793 -2.673 511 HB3 GLN 63 1HB GLN 63 -13.410 2.032 -2.483 512 HG2 GLN 63 2HG GLN 63 -14.106 3.755 -0.944 513 HG3 GLN 63 1HG GLN 63 -12.501 4.481 -0.985 514 HE21 GLN 63 1HE2 GLN 63 -12.232 4.009 -3.870 515 HE22 GLN 63 2HE2 GLN 63 -13.224 5.185 -4.643 516 H PHE 64 H PHE 64 -9.682 1.124 -1.387 517 HA PHE 64 HA PHE 64 -10.532 -1.513 -2.378 518 HB2 PHE 64 2HB PHE 64 -8.313 0.247 -3.398 519 HB3 PHE 64 1HB PHE 64 -8.607 -1.403 -3.940 520 HD1 PHE 64 1HD PHE 64 -10.696 -1.944 -5.155 521 HD2 PHE 64 2HD PHE 64 -9.625 2.054 -4.180 522 HE1 PHE 64 1HE PHE 64 -12.311 -1.113 -6.811 523 HE2 PHE 64 2HE PHE 64 -11.240 2.892 -5.834 524 HZ PHE 64 HZ PHE 64 -12.585 1.310 -7.149 525 H SER 65 H SER 65 -9.036 -0.289 0.217 526 HA SER 65 HA SER 65 -6.884 -2.230 0.284 527 HB2 SER 65 2HB SER 65 -7.813 -0.200 2.314 528 HB3 SER 65 1HB SER 65 -6.515 -1.354 2.623 529 HG SER 65 HG SER 65 -6.404 0.980 1.376 530 H ASP 66 H ASP 66 -7.092 -4.194 0.963 531 HA ASP 66 HA ASP 66 -9.617 -5.105 2.043 532 HB2 ASP 66 2HB ASP 66 -7.130 -6.498 1.078 533 HB3 ASP 66 1HB ASP 66 -8.428 -7.380 1.871 534 H CYS 67 H CYS 67 -8.061 -3.443 3.797 535 HA CYS 67 HA CYS 67 -7.984 -5.218 6.073 536 HB2 CYS 67 2HB CYS 67 -5.668 -5.232 5.062 537 HB3 CYS 67 1HB CYS 67 -5.559 -3.523 5.468 538 HG CYS 67 HG CYS 67 -4.450 -4.047 7.720 539 H SER 68 H SER 68 -7.256 -3.768 8.078 540 HA SER 68 HA SER 68 -9.314 -1.849 8.351 541 HB2 SER 68 2HB SER 68 -6.967 -2.366 10.183 542 HB3 SER 68 1HB SER 68 -8.476 -1.559 10.613 543 HG SER 68 HG SER 68 -8.001 -4.072 10.851 544 H SER 69 H SER 69 -6.187 -1.559 7.089 545 HA SER 69 HA SER 69 -5.490 1.052 7.836 546 HB2 SER 69 2HB SER 69 -3.963 -0.571 6.688 547 HB3 SER 69 1HB SER 69 -4.878 -0.329 5.203 548 HG SER 69 HG SER 69 -3.944 1.554 4.923 549 H ALA 70 H ALA 70 -7.878 -0.156 5.676 550 HA ALA 70 HA ALA 70 -8.246 2.047 3.978 551 HB1 ALA 70 1HB ALA 70 -10.413 1.092 3.497 552 HB2 ALA 70 2HB ALA 70 -10.342 0.114 4.961 553 HB3 ALA 70 3HB ALA 70 -9.230 -0.210 3.634 554 H LYS 71 H LYS 71 -9.255 1.399 7.245 555 HA LYS 71 HA LYS 71 -11.285 3.375 7.385 556 HB2 LYS 71 2HB LYS 71 -9.707 2.152 9.644 557 HB3 LYS 71 1HB LYS 71 -11.247 2.987 9.780 558 HG2 LYS 71 2HG LYS 71 -12.299 1.222 8.421 559 HG3 LYS 71 1HG LYS 71 -10.751 0.379 8.356 560 HD2 LYS 71 2HD LYS 71 -12.076 -0.625 10.081 561 HD3 LYS 71 1HD LYS 71 -10.776 0.287 10.849 562 HE2 LYS 71 2HE LYS 71 -12.892 0.641 12.010 563 HE3 LYS 71 1HE LYS 71 -12.324 2.136 11.276 564 HZ1 LYS 71 1HZ LYS 71 -14.378 0.341 10.100 565 HZ2 LYS 71 2HZ LYS 71 -13.883 1.836 9.479 566 HZ3 LYS 71 3HZ LYS 71 -14.704 1.763 10.950 567 H ALA 72 H ALA 72 -7.852 3.444 7.706 568 HA ALA 72 HA ALA 72 -7.924 6.109 8.910 569 HB1 ALA 72 1HB ALA 72 -5.532 5.817 9.275 570 HB2 ALA 72 2HB ALA 72 -5.577 4.281 8.408 571 HB3 ALA 72 3HB ALA 72 -6.438 4.456 9.938 572 H ARG 73 H ARG 73 -8.239 4.964 5.937 573 HA ARG 73 HA ARG 73 -7.988 5.806 3.847 574 HB2 ARG 73 2HB ARG 73 -7.201 8.204 5.467 575 HB3 ARG 73 1HB ARG 73 -6.932 8.220 3.733 576 HG2 ARG 73 2HG ARG 73 -9.043 9.286 4.359 577 HG3 ARG 73 1HG ARG 73 -9.293 7.876 3.330 578 HD2 ARG 73 2HD ARG 73 -9.784 6.546 5.365 579 HD3 ARG 73 1HD ARG 73 -9.647 8.019 6.324 580 HE ARG 73 HE ARG 73 -11.516 8.220 4.160 581 HH11 ARG 73 1HH1 ARG 73 -11.106 7.196 7.486 582 HH12 ARG 73 2HH1 ARG 73 -12.782 7.374 7.876 583 HH21 ARG 73 1HH2 ARG 73 -13.734 8.443 4.674 584 HH22 ARG 73 2HH2 ARG 73 -14.281 8.070 6.272 585 H GLY 74 H GLY 74 -5.849 4.372 5.347 586 HA2 GLY 74 2HA GLY 74 -3.882 3.407 4.597 587 HA3 GLY 74 1HA GLY 74 -3.858 4.556 3.269 588 H ASP 75 H ASP 75 -4.126 6.829 5.123 589 HA ASP 75 HA ASP 75 -1.309 7.198 5.631 590 HB2 ASP 75 2HB ASP 75 -2.841 8.971 4.682 591 HB3 ASP 75 1HB ASP 75 -3.589 9.078 6.269 592 H LEU 76 H LEU 76 -0.338 6.850 7.514 593 HA LEU 76 HA LEU 76 -2.026 6.573 9.918 594 HB2 LEU 76 2HB LEU 76 0.609 5.227 9.320 595 HB3 LEU 76 1HB LEU 76 -0.314 5.043 10.794 596 HG LEU 76 HG LEU 76 -1.125 4.093 8.046 597 HD11 LEU 76 1HD1 LEU 76 -0.339 2.595 10.537 598 HD12 LEU 76 2HD1 LEU 76 0.623 2.753 9.068 599 HD13 LEU 76 3HD1 LEU 76 -0.903 1.869 9.033 600 HD21 LEU 76 1HD2 LEU 76 -2.568 3.860 10.685 601 HD22 LEU 76 2HD2 LEU 76 -3.029 3.051 9.188 602 HD23 LEU 76 3HD2 LEU 76 -3.083 4.810 9.290 603 H GLY 77 H GLY 77 -0.484 8.907 8.656 604 HA2 GLY 77 2HA GLY 77 0.642 10.726 9.491 605 HA3 GLY 77 1HA GLY 77 0.494 10.007 11.091 606 H ALA 78 H ALA 78 2.641 10.615 11.596 607 HA ALA 78 HA ALA 78 4.778 9.497 9.999 608 HB1 ALA 78 1HB ALA 78 6.274 10.589 11.587 609 HB2 ALA 78 2HB ALA 78 4.900 11.000 12.614 610 HB3 ALA 78 3HB ALA 78 5.046 11.715 11.008 611 H PHE 79 H PHE 79 5.492 7.517 10.250 612 HA PHE 79 HA PHE 79 5.159 6.232 12.872 613 HB2 PHE 79 2HB PHE 79 5.024 4.056 11.607 614 HB3 PHE 79 1HB PHE 79 3.656 5.134 11.375 615 HD1 PHE 79 1HD PHE 79 3.167 6.065 9.227 616 HD2 PHE 79 2HD PHE 79 6.666 3.713 9.806 617 HE1 PHE 79 1HE PHE 79 3.458 5.906 6.791 618 HE2 PHE 79 2HE PHE 79 6.964 3.553 7.370 619 HZ PHE 79 HZ PHE 79 5.361 4.650 5.861 620 H SER 80 H SER 80 6.809 4.901 13.612 621 HA SER 80 HA SER 80 9.427 5.679 12.741 622 HB2 SER 80 2HB SER 80 8.802 3.514 14.746 623 HB3 SER 80 1HB SER 80 10.227 4.547 14.659 624 HG SER 80 HG SER 80 7.665 5.097 15.636 625 H ARG 81 H ARG 81 11.077 4.273 12.027 626 HA ARG 81 HA ARG 81 10.435 2.548 9.952 627 HB2 ARG 81 2HB ARG 81 12.952 2.768 11.600 628 HB3 ARG 81 1HB ARG 81 12.828 1.755 10.170 629 HG2 ARG 81 2HG ARG 81 12.333 3.720 8.814 630 HG3 ARG 81 1HG ARG 81 12.435 4.739 10.250 631 HD2 ARG 81 2HD ARG 81 14.694 3.018 9.250 632 HD3 ARG 81 1HD ARG 81 14.489 4.712 8.812 633 HE ARG 81 HE ARG 81 14.426 4.616 11.569 634 HH11 ARG 81 1HH1 ARG 81 16.727 3.743 9.071 635 HH12 ARG 81 2HH1 ARG 81 18.114 4.131 10.024 636 HH21 ARG 81 1HH2 ARG 81 16.262 5.130 12.844 637 HH22 ARG 81 2HH2 ARG 81 17.848 4.930 12.187 638 H GLY 82 H GLY 82 11.221 1.765 13.303 639 HA2 GLY 82 2HA GLY 82 11.236 -1.060 12.919 640 HA3 GLY 82 1HA GLY 82 11.206 -0.225 14.459 641 H GLN 83 H GLN 83 8.645 0.926 12.699 642 HA GLN 83 HA GLN 83 6.823 -0.899 14.098 643 HB2 GLN 83 2HB GLN 83 6.295 1.793 12.833 644 HB3 GLN 83 1HB GLN 83 5.104 0.817 13.678 645 HG2 GLN 83 2HG GLN 83 6.377 1.028 15.737 646 HG3 GLN 83 1HG GLN 83 7.594 1.982 14.896 647 HE21 GLN 83 1HE2 GLN 83 4.155 2.229 14.325 648 HE22 GLN 83 2HE2 GLN 83 3.969 3.819 14.974 649 H MET 84 H MET 84 8.246 -0.873 11.222 650 HA MET 84 HA MET 84 5.870 -1.957 9.884 651 HB2 MET 84 2HB MET 84 7.903 -0.078 8.692 652 HB3 MET 84 1HB MET 84 6.759 -1.007 7.735 653 HG2 MET 84 2HG MET 84 6.026 1.008 9.844 654 HG3 MET 84 1HG MET 84 6.025 1.299 8.105 655 HE1 MET 84 1HE MET 84 3.495 2.159 8.358 656 HE2 MET 84 2HE MET 84 3.518 1.791 10.083 657 HE3 MET 84 3HE MET 84 2.205 1.190 9.070 658 H GLN 85 H GLN 85 6.446 -3.273 7.952 659 HA GLN 85 HA GLN 85 8.317 -5.291 8.674 660 HB2 GLN 85 2HB GLN 85 6.732 -4.825 6.146 661 HB3 GLN 85 1HB GLN 85 7.721 -6.249 6.429 662 HG2 GLN 85 2HG GLN 85 5.395 -5.402 8.139 663 HG3 GLN 85 1HG GLN 85 5.327 -6.619 6.864 664 HE21 GLN 85 1HE2 GLN 85 6.484 -5.864 10.050 665 HE22 GLN 85 2HE2 GLN 85 6.920 -7.476 10.491 666 H LYS 86 H LYS 86 10.029 -6.069 7.186 667 HA LYS 86 HA LYS 86 11.976 -4.110 6.854 668 HB2 LYS 86 2HB LYS 86 11.882 -6.823 5.528 669 HB3 LYS 86 1HB LYS 86 13.312 -5.819 5.710 670 HG2 LYS 86 2HG LYS 86 11.706 -6.999 7.973 671 HG3 LYS 86 1HG LYS 86 13.230 -7.635 7.352 672 HD2 LYS 86 2HD LYS 86 14.388 -5.623 8.019 673 HD3 LYS 86 1HD LYS 86 12.869 -4.873 8.511 674 HE2 LYS 86 2HE LYS 86 14.101 -5.698 10.447 675 HE3 LYS 86 1HE LYS 86 12.583 -6.569 10.240 676 HZ1 LYS 86 1HZ LYS 86 15.283 -7.538 9.469 677 HZ2 LYS 86 2HZ LYS 86 13.842 -8.368 9.178 678 HZ3 LYS 86 3HZ LYS 86 14.348 -8.094 10.765 679 HA PRO 87 HA PRO 87 11.220 -4.139 2.040 680 HB2 PRO 87 2HB PRO 87 8.727 -4.936 1.226 681 HB3 PRO 87 1HB PRO 87 10.137 -6.000 1.245 682 HG2 PRO 87 2HG PRO 87 7.931 -5.740 3.253 683 HG3 PRO 87 1HG PRO 87 8.697 -7.208 2.616 684 HD2 PRO 87 2HD PRO 87 9.339 -6.222 5.026 685 HD3 PRO 87 1HD PRO 87 10.555 -6.979 3.976 686 H PHE 88 H PHE 88 8.481 -3.658 4.201 687 HA PHE 88 HA PHE 88 7.311 -1.505 2.765 688 HB2 PHE 88 2HB PHE 88 6.166 -2.955 4.509 689 HB3 PHE 88 1HB PHE 88 7.050 -2.050 5.730 690 HD1 PHE 88 1HD PHE 88 4.165 -2.147 3.618 691 HD2 PHE 88 2HD PHE 88 6.653 0.458 5.883 692 HE1 PHE 88 1HE PHE 88 2.377 -0.459 3.637 693 HE2 PHE 88 2HE PHE 88 4.869 2.149 5.906 694 HZ PHE 88 HZ PHE 88 2.726 1.692 4.785 695 H GLU 89 H GLU 89 9.400 -1.672 5.629 696 HA GLU 89 HA GLU 89 9.696 1.040 6.157 697 HB2 GLU 89 2HB GLU 89 10.493 -0.707 7.663 698 HB3 GLU 89 1HB GLU 89 11.691 -1.212 6.481 699 HG2 GLU 89 2HG GLU 89 12.700 1.084 6.692 700 HG3 GLU 89 1HG GLU 89 11.621 1.342 8.062 701 H ASP 90 H ASP 90 11.689 -1.068 4.130 702 HA ASP 90 HA ASP 90 13.578 0.832 3.349 703 HB2 ASP 90 2HB ASP 90 13.891 -1.586 3.065 704 HB3 ASP 90 1HB ASP 90 12.638 -1.604 1.829 705 H ALA 91 H ALA 91 10.533 -0.109 1.816 706 HA ALA 91 HA ALA 91 10.947 1.582 -0.450 707 HB1 ALA 91 1HB ALA 91 8.701 0.948 -1.107 708 HB2 ALA 91 2HB ALA 91 8.420 0.238 0.484 709 HB3 ALA 91 3HB ALA 91 9.626 -0.465 -0.597 710 H ALA 92 H ALA 92 9.015 1.850 2.513 711 HA ALA 92 HA ALA 92 7.598 4.172 1.727 712 HB1 ALA 92 1HB ALA 92 6.881 4.328 4.028 713 HB2 ALA 92 2HB ALA 92 8.142 3.199 4.524 714 HB3 ALA 92 3HB ALA 92 6.822 2.649 3.492 715 H PHE 93 H PHE 93 10.542 3.752 3.660 716 HA PHE 93 HA PHE 93 10.711 6.587 4.149 717 HB2 PHE 93 2HB PHE 93 12.534 4.290 4.855 718 HB3 PHE 93 1HB PHE 93 12.916 5.967 5.238 719 HD1 PHE 93 1HD PHE 93 11.959 7.033 7.104 720 HD2 PHE 93 2HD PHE 93 10.451 3.266 5.832 721 HE1 PHE 93 1HE PHE 93 10.611 6.884 9.155 722 HE2 PHE 93 2HE PHE 93 9.101 3.110 7.879 723 HZ PHE 93 HZ PHE 93 9.178 4.922 9.544 724 H ALA 94 H ALA 94 11.407 4.748 1.525 725 HA ALA 94 HA ALA 94 13.723 6.312 0.689 726 HB1 ALA 94 1HB ALA 94 13.758 4.854 -1.266 727 HB2 ALA 94 2HB ALA 94 12.258 4.094 -0.734 728 HB3 ALA 94 3HB ALA 94 13.727 3.910 0.223 729 H LEU 95 H LEU 95 10.486 6.701 0.776 730 HA LEU 95 HA LEU 95 10.301 8.069 -1.807 731 HB2 LEU 95 2HB LEU 95 8.172 7.368 0.203 732 HB3 LEU 95 1HB LEU 95 7.890 8.200 -1.311 733 HG LEU 95 HG LEU 95 8.879 5.370 -1.010 734 HD11 LEU 95 1HD1 LEU 95 6.221 6.480 -1.895 735 HD12 LEU 95 2HD1 LEU 95 6.549 5.655 -0.371 736 HD13 LEU 95 3HD1 LEU 95 6.678 4.778 -1.894 737 HD21 LEU 95 1HD2 LEU 95 9.795 6.399 -3.008 738 HD22 LEU 95 2HD2 LEU 95 8.199 6.992 -3.465 739 HD23 LEU 95 3HD2 LEU 95 8.526 5.260 -3.452 740 H ARG 96 H ARG 96 10.363 10.207 -1.911 741 HA ARG 96 HA ARG 96 10.277 11.719 0.583 742 HB2 ARG 96 2HB ARG 96 11.261 12.320 -2.190 743 HB3 ARG 96 1HB ARG 96 10.892 13.634 -1.085 744 HG2 ARG 96 2HG ARG 96 13.259 13.119 -1.042 745 HG3 ARG 96 1HG ARG 96 12.517 12.759 0.513 746 HD2 ARG 96 2HD ARG 96 14.082 11.007 -0.108 747 HD3 ARG 96 1HD ARG 96 12.437 10.378 -0.085 748 HE ARG 96 HE ARG 96 12.559 10.806 -2.617 749 HH11 ARG 96 1HH1 ARG 96 15.246 9.745 -0.610 750 HH12 ARG 96 2HH1 ARG 96 16.074 8.972 -1.915 751 HH21 ARG 96 1HH2 ARG 96 13.668 9.762 -4.340 752 HH22 ARG 96 2HH2 ARG 96 15.182 8.984 -4.031 753 H THR 97 H THR 97 9.133 13.933 0.338 754 HA THR 97 HA THR 97 6.431 13.542 0.297 755 HB THR 97 HB THR 97 7.697 16.169 -0.473 756 HG1 THR 97 1HG THR 97 7.456 14.947 2.111 757 HG21 THR 97 1HG2 THR 97 5.249 15.464 1.159 758 HG22 THR 97 2HG2 THR 97 5.244 16.102 -0.485 759 HG23 THR 97 3HG2 THR 97 5.836 17.098 0.845 760 H GLY 98 H GLY 98 5.138 12.869 -1.305 761 HA2 GLY 98 2HA GLY 98 3.885 13.379 -3.248 762 HA3 GLY 98 1HA GLY 98 5.238 14.318 -3.849 763 H GLU 99 H GLU 99 6.749 11.648 -2.845 764 HA GLU 99 HA GLU 99 6.694 10.548 -5.535 765 HB2 GLU 99 2HB GLU 99 8.505 9.880 -3.211 766 HB3 GLU 99 1HB GLU 99 8.679 9.268 -4.851 767 HG2 GLU 99 2HG GLU 99 8.934 11.630 -5.618 768 HG3 GLU 99 1HG GLU 99 8.966 12.114 -3.925 769 H MET 100 H MET 100 6.284 8.420 -6.037 770 HA MET 100 HA MET 100 4.820 6.895 -3.984 771 HB2 MET 100 2HB MET 100 3.326 7.928 -5.696 772 HB3 MET 100 1HB MET 100 4.189 7.034 -6.934 773 HG2 MET 100 2HG MET 100 3.476 4.930 -5.948 774 HG3 MET 100 1HG MET 100 2.639 5.801 -4.668 775 HE1 MET 100 1HE MET 100 2.765 5.001 -8.504 776 HE2 MET 100 2HE MET 100 2.825 6.763 -8.499 777 HE3 MET 100 3HE MET 100 1.397 5.932 -9.114 778 H SER 101 H SER 101 5.344 4.790 -3.782 779 HA SER 101 HA SER 101 7.595 3.824 -5.337 780 HB2 SER 101 2HB SER 101 7.668 3.466 -2.935 781 HB3 SER 101 1HB SER 101 6.124 2.614 -2.982 782 HG SER 101 HG SER 101 7.465 0.976 -3.090 783 H GLY 102 H GLY 102 4.186 3.134 -4.903 784 HA2 GLY 102 2HA GLY 102 2.806 2.120 -6.495 785 HA3 GLY 102 1HA GLY 102 4.241 1.565 -7.347 786 HA PRO 103 HA PRO 103 2.851 -2.260 -5.458 787 HB2 PRO 103 2HB PRO 103 4.266 -3.936 -7.025 788 HB3 PRO 103 1HB PRO 103 2.793 -3.136 -7.580 789 HG2 PRO 103 2HG PRO 103 5.644 -2.470 -8.148 790 HG3 PRO 103 1HG PRO 103 4.238 -2.386 -9.221 791 HD2 PRO 103 2HD PRO 103 5.363 -0.215 -7.936 792 HD3 PRO 103 1HD PRO 103 3.690 -0.281 -8.521 793 H VAL 104 H VAL 104 3.734 -2.311 -3.446 794 HA VAL 104 HA VAL 104 6.515 -3.257 -3.208 795 HB VAL 104 HB VAL 104 4.773 -1.945 -1.097 796 HG11 VAL 104 1HG1 VAL 104 7.692 -2.705 -1.009 797 HG12 VAL 104 2HG1 VAL 104 6.385 -3.522 -0.151 798 HG13 VAL 104 3HG1 VAL 104 6.803 -1.858 0.258 799 HG21 VAL 104 1HG2 VAL 104 5.419 -0.357 -2.821 800 HG22 VAL 104 2HG2 VAL 104 7.108 -0.835 -2.648 801 HG23 VAL 104 3HG2 VAL 104 6.280 -0.024 -1.319 802 H PHE 105 H PHE 105 6.573 -5.394 -2.958 803 HA PHE 105 HA PHE 105 4.225 -6.853 -2.167 804 HB2 PHE 105 2HB PHE 105 7.012 -7.842 -2.793 805 HB3 PHE 105 1HB PHE 105 5.592 -8.857 -2.584 806 HD1 PHE 105 1HD PHE 105 3.894 -8.985 -4.297 807 HD2 PHE 105 2HD PHE 105 7.309 -6.494 -4.782 808 HE1 PHE 105 1HE PHE 105 3.393 -8.770 -6.696 809 HE2 PHE 105 2HE PHE 105 6.814 -6.273 -7.179 810 HZ PHE 105 HZ PHE 105 4.856 -7.412 -8.140 811 H THR 106 H THR 106 3.806 -7.862 -0.306 812 HA THR 106 HA THR 106 5.877 -8.263 1.679 813 HB THR 106 HB THR 106 3.358 -6.834 2.568 814 HG1 THR 106 1HG THR 106 5.518 -5.794 1.192 815 HG21 THR 106 1HG2 THR 106 6.148 -7.086 3.721 816 HG22 THR 106 2HG2 THR 106 4.691 -7.883 4.320 817 HG23 THR 106 3HG2 THR 106 4.848 -6.132 4.432 818 H ASP 107 H ASP 107 4.691 -9.401 3.678 819 HA ASP 107 HA ASP 107 3.707 -11.820 2.716 820 HB2 ASP 107 2HB ASP 107 3.695 -10.654 5.488 821 HB3 ASP 107 1HB ASP 107 3.156 -12.291 5.135 822 H SER 108 H SER 108 1.900 -9.009 3.823 823 HA SER 108 HA SER 108 -0.578 -10.486 3.932 824 HB2 SER 108 2HB SER 108 -0.152 -7.497 4.038 825 HB3 SER 108 1HB SER 108 -1.614 -8.369 4.502 826 HG SER 108 HG SER 108 -0.748 -8.727 6.375 827 H GLY 109 H GLY 109 1.217 -9.092 1.440 828 HA2 GLY 109 2HA GLY 109 0.008 -9.725 -0.746 829 HA3 GLY 109 1HA GLY 109 -1.171 -8.551 -0.178 830 H ILE 110 H ILE 110 -0.860 -7.133 -1.888 831 HA ILE 110 HA ILE 110 1.840 -6.053 -2.194 832 HB ILE 110 HB ILE 110 -0.581 -5.543 -3.942 833 HG12 ILE 110 2HG1 ILE 110 1.763 -7.413 -4.391 834 HG13 ILE 110 1HG1 ILE 110 0.126 -7.918 -3.988 835 HG21 ILE 110 1HG2 ILE 110 2.352 -4.946 -4.355 836 HG22 ILE 110 2HG2 ILE 110 1.084 -3.763 -4.040 837 HG23 ILE 110 3HG2 ILE 110 1.078 -4.683 -5.545 838 HD11 ILE 110 1HD1 ILE 110 0.585 -8.186 -6.360 839 HD12 ILE 110 2HD1 ILE 110 0.964 -6.469 -6.491 840 HD13 ILE 110 3HD1 ILE 110 -0.677 -6.982 -6.097 841 H HIS 111 H HIS 111 2.372 -4.120 -1.506 842 HA HIS 111 HA HIS 111 0.262 -2.425 -0.353 843 HB2 HIS 111 2HB HIS 111 3.203 -2.648 0.305 844 HB3 HIS 111 1HB HIS 111 2.139 -1.418 0.971 845 HD1 HIS 111 1HD HIS 111 3.698 -3.747 2.538 846 HD2 HIS 111 2HD HIS 111 -0.326 -3.634 1.581 847 HE1 HIS 111 1HE HIS 111 2.564 -5.142 4.281 848 HE2 HIS 111 2HE HIS 111 0.125 -4.787 3.861 849 H ILE 112 H ILE 112 -0.202 -0.692 -1.510 850 HA ILE 112 HA ILE 112 1.838 0.456 -3.262 851 HB ILE 112 HB ILE 112 -1.031 1.366 -2.883 852 HG12 ILE 112 2HG1 ILE 112 0.111 -0.452 -5.021 853 HG13 ILE 112 1HG1 ILE 112 -0.919 -0.972 -3.692 854 HG21 ILE 112 1HG2 ILE 112 0.981 1.919 -5.068 855 HG22 ILE 112 2HG2 ILE 112 0.448 3.059 -3.832 856 HG23 ILE 112 3HG2 ILE 112 -0.692 2.480 -5.047 857 HD11 ILE 112 1HD1 ILE 112 -1.700 0.934 -5.885 858 HD12 ILE 112 2HD1 ILE 112 -2.733 0.404 -4.557 859 HD13 ILE 112 3HD1 ILE 112 -2.172 -0.760 -5.757 860 H ILE 113 H ILE 113 3.148 1.949 -2.402 861 HA ILE 113 HA ILE 113 2.162 3.391 -0.036 862 HB ILE 113 HB ILE 113 5.051 2.926 -0.802 863 HG12 ILE 113 2HG1 ILE 113 3.353 1.501 1.266 864 HG13 ILE 113 1HG1 ILE 113 3.899 0.808 -0.256 865 HG21 ILE 113 1HG2 ILE 113 4.700 4.912 0.573 866 HG22 ILE 113 2HG2 ILE 113 5.510 3.651 1.502 867 HG23 ILE 113 3HG2 ILE 113 3.791 3.956 1.744 868 HD11 ILE 113 1HD1 ILE 113 5.648 1.685 2.030 869 HD12 ILE 113 2HD1 ILE 113 6.224 1.034 0.497 870 HD13 ILE 113 3HD1 ILE 113 5.263 0.025 1.578 871 H LEU 114 H LEU 114 1.984 5.488 -0.044 872 HA LEU 114 HA LEU 114 3.304 7.087 -2.133 873 HB2 LEU 114 2HB LEU 114 0.890 6.745 -2.635 874 HB3 LEU 114 1HB LEU 114 0.478 7.397 -1.071 875 HG LEU 114 HG LEU 114 0.121 8.904 -3.085 876 HD11 LEU 114 1HD1 LEU 114 1.845 9.954 -0.855 877 HD12 LEU 114 2HD1 LEU 114 0.089 9.791 -0.837 878 HD13 LEU 114 3HD1 LEU 114 0.857 10.929 -1.945 879 HD21 LEU 114 1HD2 LEU 114 2.167 8.424 -4.272 880 HD22 LEU 114 2HD2 LEU 114 3.124 9.101 -2.955 881 HD23 LEU 114 3HD2 LEU 114 2.065 10.144 -3.903 882 H ARG 115 H ARG 115 4.533 8.657 -1.267 883 HA ARG 115 HA ARG 115 4.490 9.096 1.589 884 HB2 ARG 115 2HB ARG 115 6.623 8.988 0.427 885 HB3 ARG 115 1HB ARG 115 6.156 10.331 -0.606 886 HG2 ARG 115 2HG ARG 115 7.531 11.347 0.939 887 HG3 ARG 115 1HG ARG 115 5.930 11.644 1.611 888 HD2 ARG 115 2HD ARG 115 6.234 9.663 3.066 889 HD3 ARG 115 1HD ARG 115 7.881 9.510 2.451 890 HE ARG 115 HE ARG 115 6.842 11.726 4.088 891 HH11 ARG 115 1HH1 ARG 115 9.580 9.986 2.737 892 HH12 ARG 115 2HH1 ARG 115 10.740 10.802 3.723 893 HH21 ARG 115 1HH2 ARG 115 8.353 12.811 5.350 894 HH22 ARG 115 2HH2 ARG 115 10.041 12.431 5.227 895 H THR 116 H THR 116 2.976 10.398 2.422 896 HA THR 116 HA THR 116 1.803 12.485 0.839 897 HB THR 116 HB THR 116 0.551 12.914 3.082 898 HG1 THR 116 1HG THR 116 0.539 10.915 4.353 899 HG21 THR 116 1HG2 THR 116 0.253 10.319 1.561 900 HG22 THR 116 2HG2 THR 116 -0.473 11.868 1.130 901 HG23 THR 116 3HG2 THR 116 -0.976 11.036 2.602 902 H GLU 117 H GLU 117 3.793 12.328 3.783 903 HA GLU 117 HA GLU 117 4.653 15.068 3.189 904 HB2 GLU 117 2HB GLU 117 3.854 14.010 5.893 905 HB3 GLU 117 1HB GLU 117 4.831 15.450 5.681 906 HG2 GLU 117 2HG GLU 117 2.949 16.381 4.299 907 HG3 GLU 117 1HG GLU 117 1.982 15.009 4.851 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 25.608 18.728 8.378 2 H2 GLY 1 2HT GLY 1 24.686 20.135 8.435 3 H3 GLY 1 3HT GLY 1 25.963 20.009 7.334 4 HA2 GLY 1 1HA GLY 1 23.884 19.714 6.186 5 HA3 GLY 1 2HA GLY 1 24.813 18.222 6.188 6 H SER 2 H SER 2 23.018 16.910 5.937 7 HA SER 2 HA SER 2 21.291 16.750 8.309 8 HB2 SER 2 2HB SER 2 20.112 17.621 6.254 9 HB3 SER 2 1HB SER 2 20.459 16.080 5.473 10 HG SER 2 HG SER 2 18.577 16.719 7.381 11 H HIS 3 H HIS 3 20.122 14.417 8.113 12 HA HIS 3 HA HIS 3 22.347 12.509 7.844 13 HB2 HIS 3 2HB HIS 3 19.939 12.465 9.660 14 HB3 HIS 3 1HB HIS 3 20.987 11.074 9.426 15 HD1 HIS 3 1HD HIS 3 23.428 11.277 10.360 16 HD2 HIS 3 2HD HIS 3 20.894 14.407 11.372 17 HE1 HIS 3 1HE HIS 3 24.582 12.503 12.217 18 HE2 HIS 3 2HE HIS 3 22.901 14.201 12.987 19 H MET 4 H MET 4 21.760 10.304 7.261 20 HA MET 4 HA MET 4 20.157 10.252 4.910 21 HB2 MET 4 2HB MET 4 22.149 8.848 5.117 22 HB3 MET 4 1HB MET 4 21.433 7.998 6.478 23 HG2 MET 4 2HG MET 4 19.656 7.173 4.989 24 HG3 MET 4 1HG MET 4 20.450 7.969 3.634 25 HE1 MET 4 1HE MET 4 20.410 5.644 2.341 26 HE2 MET 4 2HE MET 4 19.676 4.835 3.723 27 HE3 MET 4 3HE MET 4 21.118 4.158 2.969 28 H GLU 5 H GLU 5 18.081 9.799 4.682 29 HA GLU 5 HA GLU 5 15.961 9.164 5.040 30 HB2 GLU 5 2HB GLU 5 17.155 7.377 7.160 31 HB3 GLU 5 1HB GLU 5 15.448 7.375 6.736 32 HG2 GLU 5 2HG GLU 5 16.080 6.806 4.408 33 HG3 GLU 5 1HG GLU 5 17.756 6.687 4.933 34 HA PRO 6 HA PRO 6 14.776 12.465 7.745 35 HB2 PRO 6 2HB PRO 6 12.094 11.314 7.152 36 HB3 PRO 6 1HB PRO 6 12.653 12.984 7.017 37 HG2 PRO 6 2HG PRO 6 12.337 11.508 4.843 38 HG3 PRO 6 1HG PRO 6 13.727 12.600 4.996 39 HD2 PRO 6 2HD PRO 6 13.607 9.629 5.296 40 HD3 PRO 6 1HD PRO 6 14.863 10.646 4.562 41 H ALA 7 H ALA 7 13.743 12.766 9.760 42 HA ALA 7 HA ALA 7 14.055 10.704 11.625 43 HB1 ALA 7 1HB ALA 7 12.946 12.217 13.202 44 HB2 ALA 7 2HB ALA 7 12.435 13.239 11.862 45 HB3 ALA 7 3HB ALA 7 14.149 13.064 12.233 46 H ARG 8 H ARG 8 11.073 12.128 10.302 47 HA ARG 8 HA ARG 8 9.773 9.531 10.566 48 HB2 ARG 8 2HB ARG 8 8.622 12.075 11.736 49 HB3 ARG 8 1HB ARG 8 7.722 10.584 11.523 50 HG2 ARG 8 2HG ARG 8 9.381 9.472 13.030 51 HG3 ARG 8 1HG ARG 8 10.058 11.069 13.352 52 HD2 ARG 8 2HD ARG 8 7.214 10.209 13.863 53 HD3 ARG 8 1HD ARG 8 8.468 10.408 15.085 54 HE ARG 8 HE ARG 8 8.396 12.834 13.921 55 HH11 ARG 8 1HH1 ARG 8 5.869 10.771 15.214 56 HH12 ARG 8 2HH1 ARG 8 4.862 12.084 15.713 57 HH21 ARG 8 1HH2 ARG 8 7.049 14.589 14.564 58 HH22 ARG 8 2HH2 ARG 8 5.530 14.273 15.326 59 H VAL 9 H VAL 9 8.576 9.073 8.829 60 HA VAL 9 HA VAL 9 7.899 11.307 7.033 61 HB VAL 9 HB VAL 9 7.972 9.733 5.149 62 HG11 VAL 9 1HG1 VAL 9 10.509 9.745 6.769 63 HG12 VAL 9 2HG1 VAL 9 9.970 11.005 5.658 64 HG13 VAL 9 3HG1 VAL 9 10.394 9.408 5.042 65 HG21 VAL 9 1HG2 VAL 9 7.414 7.675 6.328 66 HG22 VAL 9 2HG2 VAL 9 8.961 7.723 7.173 67 HG23 VAL 9 3HG2 VAL 9 8.918 7.483 5.426 68 H ARG 10 H ARG 10 5.924 11.114 5.846 69 HA ARG 10 HA ARG 10 3.954 9.433 7.252 70 HB2 ARG 10 2HB ARG 10 3.674 11.941 7.380 71 HB3 ARG 10 1HB ARG 10 3.412 11.911 5.639 72 HG2 ARG 10 2HG ARG 10 1.468 10.517 5.917 73 HG3 ARG 10 1HG ARG 10 1.735 10.462 7.662 74 HD2 ARG 10 2HD ARG 10 1.556 12.964 7.656 75 HD3 ARG 10 1HD ARG 10 1.034 12.849 5.976 76 HE ARG 10 HE ARG 10 -0.639 11.159 7.254 77 HH11 ARG 10 1HH1 ARG 10 0.248 14.538 7.713 78 HH12 ARG 10 2HH1 ARG 10 -1.263 14.956 8.459 79 HH21 ARG 10 1HH2 ARG 10 -2.610 11.701 8.249 80 HH22 ARG 10 2HH2 ARG 10 -2.902 13.335 8.766 81 H CYS 11 H CYS 11 3.073 7.853 6.092 82 HA CYS 11 HA CYS 11 2.977 8.168 3.197 83 HB2 CYS 11 2HB CYS 11 4.119 5.743 4.585 84 HB3 CYS 11 1HB CYS 11 3.840 5.895 2.854 85 HG CYS 11 HG CYS 11 5.634 8.443 3.739 86 H SER 12 H SER 12 1.234 7.402 2.271 87 HA SER 12 HA SER 12 -0.743 6.013 3.892 88 HB2 SER 12 2HB SER 12 -0.948 7.121 1.073 89 HB3 SER 12 1HB SER 12 -2.283 6.542 2.070 90 HG SER 12 HG SER 12 -2.340 8.406 3.027 91 H HIS 13 H HIS 13 -1.739 4.034 2.976 92 HA HIS 13 HA HIS 13 -0.080 2.705 0.996 93 HB2 HIS 13 2HB HIS 13 0.390 0.749 2.379 94 HB3 HIS 13 1HB HIS 13 1.074 2.206 3.084 95 HD1 HIS 13 1HD HIS 13 0.151 -0.600 4.500 96 HD2 HIS 13 2HD HIS 13 -1.665 3.123 4.758 97 HE1 HIS 13 1HE HIS 13 -1.163 -0.638 6.634 98 HE2 HIS 13 2HE HIS 13 -2.418 1.542 6.645 99 H LEU 14 H LEU 14 -0.999 1.183 -0.150 100 HA LEU 14 HA LEU 14 -3.828 0.543 0.359 101 HB2 LEU 14 2HB LEU 14 -3.093 1.725 -1.804 102 HB3 LEU 14 1HB LEU 14 -2.259 0.249 -2.220 103 HG LEU 14 HG LEU 14 -4.422 0.547 -3.395 104 HD11 LEU 14 1HD1 LEU 14 -4.332 -1.841 -1.572 105 HD12 LEU 14 2HD1 LEU 14 -3.547 -1.686 -3.144 106 HD13 LEU 14 3HD1 LEU 14 -5.307 -1.692 -3.034 107 HD21 LEU 14 1HD2 LEU 14 -5.609 0.253 -0.651 108 HD22 LEU 14 2HD2 LEU 14 -6.509 0.206 -2.166 109 HD23 LEU 14 3HD2 LEU 14 -5.664 1.678 -1.688 110 H LEU 15 H LEU 15 -4.320 -1.573 0.778 111 HA LEU 15 HA LEU 15 -2.169 -3.534 0.387 112 HB2 LEU 15 2HB LEU 15 -2.424 -2.975 2.762 113 HB3 LEU 15 1HB LEU 15 -4.126 -3.360 2.684 114 HG LEU 15 HG LEU 15 -2.522 -5.058 3.783 115 HD11 LEU 15 1HD1 LEU 15 -4.439 -5.998 1.665 116 HD12 LEU 15 2HD1 LEU 15 -4.844 -5.563 3.325 117 HD13 LEU 15 3HD1 LEU 15 -3.821 -6.964 3.005 118 HD21 LEU 15 1HD2 LEU 15 -0.824 -5.072 2.032 119 HD22 LEU 15 2HD2 LEU 15 -2.003 -5.709 0.885 120 HD23 LEU 15 3HD2 LEU 15 -1.506 -6.681 2.270 121 H VAL 16 H VAL 16 -2.686 -4.997 -1.037 122 HA VAL 16 HA VAL 16 -5.483 -5.871 -1.177 123 HB VAL 16 HB VAL 16 -4.870 -4.632 -3.216 124 HG11 VAL 16 1HG1 VAL 16 -2.705 -6.697 -3.531 125 HG12 VAL 16 2HG1 VAL 16 -2.495 -4.963 -3.277 126 HG13 VAL 16 3HG1 VAL 16 -3.202 -5.558 -4.780 127 HG21 VAL 16 1HG2 VAL 16 -5.483 -6.334 -4.874 128 HG22 VAL 16 2HG2 VAL 16 -6.473 -6.440 -3.418 129 HG23 VAL 16 3HG2 VAL 16 -5.167 -7.595 -3.682 130 H LYS 17 H LYS 17 -5.774 -7.904 -0.612 131 HA LYS 17 HA LYS 17 -3.475 -9.632 -0.221 132 HB2 LYS 17 2HB LYS 17 -6.396 -10.095 0.365 133 HB3 LYS 17 1HB LYS 17 -5.090 -11.179 0.815 134 HG2 LYS 17 2HG LYS 17 -4.141 -9.436 2.238 135 HG3 LYS 17 1HG LYS 17 -5.470 -8.361 1.792 136 HD2 LYS 17 2HD LYS 17 -7.069 -9.951 2.741 137 HD3 LYS 17 1HD LYS 17 -5.738 -11.019 3.191 138 HE2 LYS 17 2HE LYS 17 -4.823 -9.222 4.607 139 HE3 LYS 17 1HE LYS 17 -6.214 -8.221 4.196 140 HZ1 LYS 17 1HZ LYS 17 -6.307 -10.827 5.609 141 HZ2 LYS 17 2HZ LYS 17 -7.657 -9.889 5.199 142 HZ3 LYS 17 3HZ LYS 17 -6.528 -9.304 6.310 143 H HIS 18 H HIS 18 -3.971 -12.061 -0.717 144 HA HIS 18 HA HIS 18 -5.114 -12.286 -3.393 145 HB2 HIS 18 2HB HIS 18 -3.229 -13.763 -4.101 146 HB3 HIS 18 1HB HIS 18 -2.734 -12.107 -3.806 147 HD1 HIS 18 1HD HIS 18 -1.783 -15.503 -3.090 148 HD2 HIS 18 2HD HIS 18 -1.410 -11.857 -1.144 149 HE1 HIS 18 1HE HIS 18 0.024 -15.836 -1.383 150 HE2 HIS 18 2HE HIS 18 0.419 -13.542 -0.438 151 H SER 19 H SER 19 -5.340 -14.650 -4.027 152 HA SER 19 HA SER 19 -7.199 -15.880 -2.466 153 HB2 SER 19 2HB SER 19 -5.306 -17.410 -4.237 154 HB3 SER 19 1HB SER 19 -7.001 -17.758 -3.897 155 HG SER 19 HG SER 19 -6.763 -16.765 -5.919 156 H GLN 20 H GLN 20 -3.721 -16.514 -2.452 157 HA GLN 20 HA GLN 20 -4.150 -18.482 -0.336 158 HB2 GLN 20 2HB GLN 20 -1.770 -18.051 -2.124 159 HB3 GLN 20 1HB GLN 20 -1.881 -19.277 -0.871 160 HG2 GLN 20 2HG GLN 20 -3.576 -19.065 -3.347 161 HG3 GLN 20 1HG GLN 20 -2.341 -20.275 -3.004 162 HE21 GLN 20 1HE2 GLN 20 -5.173 -20.611 -3.623 163 HE22 GLN 20 2HE2 GLN 20 -5.852 -21.483 -2.295 164 H SER 21 H SER 21 -4.206 -15.651 0.292 165 HA SER 21 HA SER 21 -1.770 -15.037 1.662 166 HB2 SER 21 2HB SER 21 -4.582 -13.944 1.995 167 HB3 SER 21 1HB SER 21 -3.160 -13.297 2.809 168 HG SER 21 HG SER 21 -2.658 -12.268 1.066 169 H ARG 22 H ARG 22 -1.717 -14.828 4.126 170 HA ARG 22 HA ARG 22 -2.263 -17.298 5.328 171 HB2 ARG 22 2HB ARG 22 -1.659 -16.320 7.466 172 HB3 ARG 22 1HB ARG 22 -0.565 -15.738 6.226 173 HG2 ARG 22 2HG ARG 22 -2.938 -14.088 6.966 174 HG3 ARG 22 1HG ARG 22 -1.537 -14.122 8.035 175 HD2 ARG 22 2HD ARG 22 -1.510 -13.387 5.110 176 HD3 ARG 22 1HD ARG 22 -1.435 -12.254 6.456 177 HE ARG 22 HE ARG 22 0.644 -14.278 5.909 178 HH11 ARG 22 1HH1 ARG 22 -0.301 -11.037 6.892 179 HH12 ARG 22 2HH1 ARG 22 1.326 -10.520 7.166 180 HH21 ARG 22 1HH2 ARG 22 2.788 -13.584 6.289 181 HH22 ARG 22 2HH2 ARG 22 3.087 -11.967 6.827 182 H ARG 23 H ARG 23 -4.187 -14.429 5.088 183 HA ARG 23 HA ARG 23 -6.506 -15.975 5.733 184 HB2 ARG 23 2HB ARG 23 -5.769 -15.074 7.959 185 HB3 ARG 23 1HB ARG 23 -5.989 -13.450 7.320 186 HG2 ARG 23 2HG ARG 23 -8.324 -13.745 7.107 187 HG3 ARG 23 1HG ARG 23 -8.199 -15.483 7.371 188 HD2 ARG 23 2HD ARG 23 -9.029 -14.515 9.374 189 HD3 ARG 23 1HD ARG 23 -7.359 -14.987 9.671 190 HE ARG 23 HE ARG 23 -7.511 -12.280 8.845 191 HH11 ARG 23 1HH1 ARG 23 -8.032 -14.381 11.605 192 HH12 ARG 23 2HH1 ARG 23 -7.875 -13.108 12.767 193 HH21 ARG 23 1HH2 ARG 23 -7.292 -10.585 10.401 194 HH22 ARG 23 2HH2 ARG 23 -7.455 -10.953 12.083 195 HA PRO 24 HA PRO 24 -7.113 -13.062 2.288 196 HB2 PRO 24 2HB PRO 24 -8.590 -14.739 0.778 197 HB3 PRO 24 1HB PRO 24 -6.828 -14.855 0.853 198 HG2 PRO 24 2HG PRO 24 -8.897 -16.481 2.271 199 HG3 PRO 24 1HG PRO 24 -7.398 -17.011 1.486 200 HD2 PRO 24 2HD PRO 24 -7.649 -16.657 4.180 201 HD3 PRO 24 1HD PRO 24 -6.113 -16.482 3.309 202 H SER 25 H SER 25 -8.473 -12.499 4.490 203 HA SER 25 HA SER 25 -11.231 -12.265 3.535 204 HB2 SER 25 2HB SER 25 -10.397 -12.792 6.398 205 HB3 SER 25 1HB SER 25 -12.047 -12.571 5.819 206 HG SER 25 HG SER 25 -11.826 -14.450 4.584 207 H SER 26 H SER 26 -12.231 -10.309 4.004 208 HA SER 26 HA SER 26 -10.883 -8.334 5.623 209 HB2 SER 26 2HB SER 26 -10.693 -6.691 3.798 210 HB3 SER 26 1HB SER 26 -9.714 -8.119 3.466 211 HG SER 26 HG SER 26 -10.827 -7.614 1.608 212 H TRP 27 H TRP 27 -12.245 -6.105 4.705 213 HA TRP 27 HA TRP 27 -14.950 -6.714 5.514 214 HB2 TRP 27 2HB TRP 27 -15.262 -4.267 5.508 215 HB3 TRP 27 1HB TRP 27 -13.837 -4.723 6.434 216 HD1 TRP 27 HD TRP 27 -11.411 -4.234 5.210 217 HE1 TRP 27 1HE TRP 27 -10.748 -2.390 3.540 218 HE3 TRP 27 3HE TRP 27 -16.078 -2.838 3.659 219 HZ2 TRP 27 2HZ TRP 27 -12.040 -0.576 1.808 220 HZ3 TRP 27 3HZ TRP 27 -16.275 -1.038 1.995 221 HH2 TRP 27 HH TRP 27 -14.301 0.067 1.091 222 H ARG 28 H ARG 28 -13.241 -6.690 2.678 223 HA ARG 28 HA ARG 28 -15.443 -5.756 1.012 224 HB2 ARG 28 2HB ARG 28 -12.689 -6.682 0.189 225 HB3 ARG 28 1HB ARG 28 -13.880 -5.902 -0.843 226 HG2 ARG 28 2HG ARG 28 -13.739 -3.935 0.769 227 HG3 ARG 28 1HG ARG 28 -12.291 -4.717 1.404 228 HD2 ARG 28 2HD ARG 28 -12.740 -3.926 -1.469 229 HD3 ARG 28 1HD ARG 28 -11.784 -3.021 -0.303 230 HE ARG 28 HE ARG 28 -10.545 -5.382 -0.236 231 HH11 ARG 28 1HH1 ARG 28 -11.757 -3.593 -2.996 232 HH12 ARG 28 2HH1 ARG 28 -10.447 -4.040 -4.031 233 HH21 ARG 28 1HH2 ARG 28 -8.779 -5.963 -1.609 234 HH22 ARG 28 2HH2 ARG 28 -8.757 -5.381 -3.244 235 H GLN 29 H GLN 29 -13.435 -8.641 1.508 236 HA GLN 29 HA GLN 29 -15.641 -10.222 0.410 237 HB2 GLN 29 2HB GLN 29 -12.722 -10.514 -0.300 238 HB3 GLN 29 1HB GLN 29 -13.928 -11.748 -0.631 239 HG2 GLN 29 2HG GLN 29 -15.157 -10.137 -2.018 240 HG3 GLN 29 1HG GLN 29 -13.891 -8.946 -1.725 241 HE21 GLN 29 1HE2 GLN 29 -14.832 -10.135 -4.210 242 HE22 GLN 29 2HE2 GLN 29 -13.450 -10.864 -4.950 243 H GLU 30 H GLU 30 -15.983 -12.162 1.345 244 HA GLU 30 HA GLU 30 -14.877 -12.576 3.948 245 HB2 GLU 30 2HB GLU 30 -16.405 -14.468 4.103 246 HB3 GLU 30 1HB GLU 30 -17.252 -13.087 3.434 247 HG2 GLU 30 2HG GLU 30 -16.230 -15.473 1.893 248 HG3 GLU 30 1HG GLU 30 -17.906 -15.143 2.315 249 H LYS 31 H LYS 31 -14.547 -14.003 0.774 250 HA LYS 31 HA LYS 31 -12.051 -15.246 1.642 251 HB2 LYS 31 2HB LYS 31 -13.701 -17.056 1.618 252 HB3 LYS 31 1HB LYS 31 -14.183 -16.619 -0.014 253 HG2 LYS 31 2HG LYS 31 -11.954 -17.212 -0.832 254 HG3 LYS 31 1HG LYS 31 -11.475 -17.658 0.806 255 HD2 LYS 31 2HD LYS 31 -13.144 -19.415 0.848 256 HD3 LYS 31 1HD LYS 31 -13.733 -18.926 -0.742 257 HE2 LYS 31 2HE LYS 31 -12.286 -20.890 -0.893 258 HE3 LYS 31 1HE LYS 31 -11.583 -19.509 -1.731 259 HZ1 LYS 31 1HZ LYS 31 -10.841 -20.368 1.012 260 HZ2 LYS 31 2HZ LYS 31 -10.098 -19.148 0.110 261 HZ3 LYS 31 3HZ LYS 31 -9.974 -20.757 -0.380 262 H ILE 32 H ILE 32 -10.741 -13.909 0.603 263 HA ILE 32 HA ILE 32 -11.251 -12.795 -1.955 264 HB ILE 32 HB ILE 32 -8.695 -12.994 -0.350 265 HG12 ILE 32 2HG1 ILE 32 -10.601 -10.683 -0.776 266 HG13 ILE 32 1HG1 ILE 32 -10.545 -11.687 0.667 267 HG21 ILE 32 1HG2 ILE 32 -9.270 -11.359 -2.818 268 HG22 ILE 32 2HG2 ILE 32 -8.168 -12.732 -2.711 269 HG23 ILE 32 3HG2 ILE 32 -7.814 -11.246 -1.829 270 HD11 ILE 32 1HD1 ILE 32 -8.348 -9.906 -0.350 271 HD12 ILE 32 2HD1 ILE 32 -8.265 -10.922 1.091 272 HD13 ILE 32 3HD1 ILE 32 -9.410 -9.583 1.020 273 H THR 33 H THR 33 -11.160 -13.803 -3.810 274 HA THR 33 HA THR 33 -9.471 -16.188 -4.064 275 HB THR 33 HB THR 33 -11.095 -16.647 -6.013 276 HG1 THR 33 1HG THR 33 -13.203 -15.651 -5.478 277 HG21 THR 33 1HG2 THR 33 -12.066 -16.741 -3.149 278 HG22 THR 33 2HG2 THR 33 -11.058 -17.953 -3.938 279 HG23 THR 33 3HG2 THR 33 -12.715 -17.695 -4.483 280 H ARG 34 H ARG 34 -8.845 -13.251 -4.604 281 HA ARG 34 HA ARG 34 -8.301 -13.405 -7.470 282 HB2 ARG 34 2HB ARG 34 -7.894 -11.071 -7.445 283 HB3 ARG 34 1HB ARG 34 -9.252 -11.285 -6.353 284 HG2 ARG 34 2HG ARG 34 -7.664 -11.194 -4.449 285 HG3 ARG 34 1HG ARG 34 -6.372 -10.846 -5.595 286 HD2 ARG 34 2HD ARG 34 -6.966 -8.735 -4.886 287 HD3 ARG 34 1HD ARG 34 -7.930 -8.912 -6.351 288 HE ARG 34 HE ARG 34 -9.864 -9.153 -5.035 289 HH11 ARG 34 1HH1 ARG 34 -6.986 -8.718 -3.077 290 HH12 ARG 34 2HH1 ARG 34 -7.851 -8.142 -1.687 291 HH21 ARG 34 1HH2 ARG 34 -11.028 -8.435 -3.159 292 HH22 ARG 34 2HH2 ARG 34 -10.149 -8.014 -1.731 293 H THR 35 H THR 35 -6.358 -14.080 -8.169 294 HA THR 35 HA THR 35 -4.361 -14.712 -6.221 295 HB THR 35 HB THR 35 -4.778 -16.207 -8.165 296 HG1 THR 35 1HG THR 35 -2.453 -16.392 -8.715 297 HG21 THR 35 1HG2 THR 35 -3.823 -15.603 -10.358 298 HG22 THR 35 2HG2 THR 35 -3.485 -13.981 -9.748 299 HG23 THR 35 3HG2 THR 35 -5.150 -14.542 -9.894 300 H LYS 36 H LYS 36 -1.991 -14.217 -6.960 301 HA LYS 36 HA LYS 36 -1.509 -11.545 -6.351 302 HB2 LYS 36 2HB LYS 36 0.096 -13.335 -5.953 303 HB3 LYS 36 1HB LYS 36 0.308 -13.552 -7.683 304 HG2 LYS 36 2HG LYS 36 1.262 -11.315 -7.850 305 HG3 LYS 36 1HG LYS 36 1.040 -11.093 -6.112 306 HD2 LYS 36 2HD LYS 36 2.531 -12.957 -5.665 307 HD3 LYS 36 1HD LYS 36 2.723 -13.241 -7.397 308 HE2 LYS 36 2HE LYS 36 3.706 -11.003 -7.630 309 HE3 LYS 36 1HE LYS 36 3.537 -10.760 -5.895 310 HZ1 LYS 36 1HZ LYS 36 5.192 -12.846 -7.195 311 HZ2 LYS 36 2HZ LYS 36 5.013 -12.641 -5.533 312 HZ3 LYS 36 3HZ LYS 36 5.770 -11.446 -6.448 313 H GLU 37 H GLU 37 -1.439 -13.180 -9.504 314 HA GLU 37 HA GLU 37 -0.545 -10.994 -11.016 315 HB2 GLU 37 2HB GLU 37 -0.544 -13.253 -11.904 316 HB3 GLU 37 1HB GLU 37 -2.299 -13.310 -11.834 317 HG2 GLU 37 2HG GLU 37 -2.458 -11.596 -13.527 318 HG3 GLU 37 1HG GLU 37 -0.703 -11.424 -13.550 319 H GLU 38 H GLU 38 -3.834 -12.073 -10.242 320 HA GLU 38 HA GLU 38 -5.263 -10.172 -11.710 321 HB2 GLU 38 2HB GLU 38 -5.949 -11.502 -9.085 322 HB3 GLU 38 1HB GLU 38 -7.081 -10.552 -10.034 323 HG2 GLU 38 2HG GLU 38 -5.716 -13.066 -10.952 324 HG3 GLU 38 1HG GLU 38 -7.372 -12.957 -10.356 325 H ALA 39 H ALA 39 -4.026 -10.085 -8.410 326 HA ALA 39 HA ALA 39 -5.039 -7.548 -7.729 327 HB1 ALA 39 1HB ALA 39 -3.472 -7.634 -5.863 328 HB2 ALA 39 2HB ALA 39 -2.632 -8.988 -6.618 329 HB3 ALA 39 3HB ALA 39 -4.295 -9.180 -6.064 330 H LEU 40 H LEU 40 -1.958 -8.596 -9.121 331 HA LEU 40 HA LEU 40 -0.660 -6.116 -9.000 332 HB2 LEU 40 2HB LEU 40 0.494 -8.243 -9.407 333 HB3 LEU 40 1HB LEU 40 -0.258 -8.350 -10.986 334 HG LEU 40 HG LEU 40 0.975 -6.390 -11.745 335 HD11 LEU 40 1HD1 LEU 40 2.156 -6.367 -8.971 336 HD12 LEU 40 2HD1 LEU 40 1.096 -5.144 -9.670 337 HD13 LEU 40 3HD1 LEU 40 2.715 -5.388 -10.325 338 HD21 LEU 40 1HD2 LEU 40 2.009 -8.587 -11.985 339 HD22 LEU 40 2HD2 LEU 40 2.754 -8.416 -10.396 340 HD23 LEU 40 3HD2 LEU 40 3.222 -7.338 -11.711 341 H GLU 41 H GLU 41 -2.728 -7.528 -11.511 342 HA GLU 41 HA GLU 41 -2.417 -5.496 -13.423 343 HB2 GLU 41 2HB GLU 41 -4.773 -7.291 -12.841 344 HB3 GLU 41 1HB GLU 41 -4.703 -6.207 -14.223 345 HG2 GLU 41 2HG GLU 41 -2.652 -7.394 -14.968 346 HG3 GLU 41 1HG GLU 41 -2.896 -8.542 -13.651 347 H LEU 42 H LEU 42 -4.521 -5.759 -10.628 348 HA LEU 42 HA LEU 42 -6.030 -3.410 -11.098 349 HB2 LEU 42 2HB LEU 42 -5.374 -4.859 -8.536 350 HB3 LEU 42 1HB LEU 42 -6.529 -3.548 -8.656 351 HG LEU 42 HG LEU 42 -6.791 -6.162 -10.133 352 HD11 LEU 42 1HD1 LEU 42 -8.116 -5.247 -7.589 353 HD12 LEU 42 2HD1 LEU 42 -6.902 -6.518 -7.724 354 HD13 LEU 42 3HD1 LEU 42 -8.485 -6.727 -8.473 355 HD21 LEU 42 1HD2 LEU 42 -7.955 -4.319 -11.203 356 HD22 LEU 42 2HD2 LEU 42 -8.703 -3.875 -9.670 357 HD23 LEU 42 3HD2 LEU 42 -9.116 -5.404 -10.442 358 H ILE 43 H ILE 43 -3.136 -4.091 -9.188 359 HA ILE 43 HA ILE 43 -2.721 -1.577 -8.072 360 HB ILE 43 HB ILE 43 -0.628 -3.578 -8.955 361 HG12 ILE 43 2HG1 ILE 43 -2.241 -4.539 -7.386 362 HG13 ILE 43 1HG1 ILE 43 -0.672 -4.339 -6.618 363 HG21 ILE 43 1HG2 ILE 43 -0.425 -1.239 -7.066 364 HG22 ILE 43 2HG2 ILE 43 0.425 -1.449 -8.598 365 HG23 ILE 43 3HG2 ILE 43 0.796 -2.499 -7.229 366 HD11 ILE 43 1HD1 ILE 43 -3.055 -2.535 -6.269 367 HD12 ILE 43 2HD1 ILE 43 -1.478 -2.323 -5.506 368 HD13 ILE 43 3HD1 ILE 43 -2.466 -3.727 -5.113 369 H ASN 44 H ASN 44 -1.465 -2.880 -11.136 370 HA ASN 44 HA ASN 44 -0.057 -0.583 -11.930 371 HB2 ASN 44 2HB ASN 44 -1.227 -2.882 -13.474 372 HB3 ASN 44 1HB ASN 44 -0.477 -1.528 -14.312 373 HD21 ASN 44 1HD2 ASN 44 0.042 -4.283 -12.276 374 HD22 ASN 44 2HD2 ASN 44 1.765 -4.303 -12.411 375 H GLY 45 H GLY 45 -3.438 -1.363 -12.102 376 HA2 GLY 45 2HA GLY 45 -4.102 0.757 -13.914 377 HA3 GLY 45 1HA GLY 45 -5.233 -0.186 -12.948 378 H TYR 46 H TYR 46 -4.387 0.279 -10.406 379 HA TYR 46 HA TYR 46 -5.531 2.760 -9.796 380 HB2 TYR 46 2HB TYR 46 -3.680 1.093 -8.071 381 HB3 TYR 46 1HB TYR 46 -4.693 2.407 -7.496 382 HD1 TYR 46 1HD TYR 46 -7.233 1.814 -8.948 383 HD2 TYR 46 2HD TYR 46 -4.509 -0.778 -6.954 384 HE1 TYR 46 1HE TYR 46 -9.059 0.220 -8.534 385 HE2 TYR 46 2HE TYR 46 -6.327 -2.380 -6.539 386 HH TYR 46 HH TYR 46 -9.396 -2.104 -8.063 387 H ILE 47 H ILE 47 -2.129 1.777 -9.938 388 HA ILE 47 HA ILE 47 -0.892 4.081 -9.044 389 HB ILE 47 HB ILE 47 -0.011 2.130 -11.178 390 HG12 ILE 47 2HG1 ILE 47 0.858 2.490 -8.302 391 HG13 ILE 47 1HG1 ILE 47 -0.252 1.254 -8.880 392 HG21 ILE 47 1HG2 ILE 47 1.623 4.332 -9.918 393 HG22 ILE 47 2HG2 ILE 47 1.138 4.221 -11.608 394 HG23 ILE 47 3HG2 ILE 47 2.263 3.042 -10.934 395 HD11 ILE 47 1HD1 ILE 47 2.642 1.536 -9.660 396 HD12 ILE 47 2HD1 ILE 47 1.532 0.296 -10.247 397 HD13 ILE 47 3HD1 ILE 47 1.973 0.350 -8.540 398 H GLN 48 H GLN 48 -1.913 3.327 -12.351 399 HA GLN 48 HA GLN 48 -0.926 5.731 -13.467 400 HB2 GLN 48 2HB GLN 48 -3.036 3.844 -14.515 401 HB3 GLN 48 1HB GLN 48 -2.263 5.116 -15.446 402 HG2 GLN 48 2HG GLN 48 -0.890 2.724 -14.236 403 HG3 GLN 48 1HG GLN 48 -1.296 2.939 -15.937 404 HE21 GLN 48 1HE2 GLN 48 -0.572 5.769 -15.949 405 HE22 GLN 48 2HE2 GLN 48 1.155 5.814 -15.908 406 H LYS 49 H LYS 49 -4.170 4.745 -12.412 407 HA LYS 49 HA LYS 49 -5.449 7.128 -13.267 408 HB2 LYS 49 2HB LYS 49 -6.330 5.189 -11.124 409 HB3 LYS 49 1HB LYS 49 -7.345 6.384 -11.916 410 HG2 LYS 49 2HG LYS 49 -7.073 5.231 -14.043 411 HG3 LYS 49 1HG LYS 49 -6.004 4.054 -13.281 412 HD2 LYS 49 2HD LYS 49 -8.132 3.019 -13.404 413 HD3 LYS 49 1HD LYS 49 -7.927 3.510 -11.725 414 HE2 LYS 49 2HE LYS 49 -10.163 4.053 -12.420 415 HE3 LYS 49 1HE LYS 49 -9.258 5.550 -12.211 416 HZ1 LYS 49 1HZ LYS 49 -9.825 4.208 -14.799 417 HZ2 LYS 49 2HZ LYS 49 -8.937 5.630 -14.621 418 HZ3 LYS 49 3HZ LYS 49 -10.575 5.606 -14.227 419 H ILE 50 H ILE 50 -3.970 6.183 -10.215 420 HA ILE 50 HA ILE 50 -4.958 8.474 -8.807 421 HB ILE 50 HB ILE 50 -2.862 6.433 -8.065 422 HG12 ILE 50 2HG1 ILE 50 -5.679 6.842 -7.033 423 HG13 ILE 50 1HG1 ILE 50 -5.228 5.652 -8.250 424 HG21 ILE 50 1HG2 ILE 50 -4.052 8.615 -6.354 425 HG22 ILE 50 2HG2 ILE 50 -2.389 8.545 -6.938 426 HG23 ILE 50 3HG2 ILE 50 -2.974 7.334 -5.797 427 HD11 ILE 50 1HD1 ILE 50 -4.193 5.736 -5.425 428 HD12 ILE 50 2HD1 ILE 50 -3.813 4.515 -6.639 429 HD13 ILE 50 3HD1 ILE 50 -5.458 4.666 -6.023 430 H LYS 51 H LYS 51 -1.697 7.532 -9.947 431 HA LYS 51 HA LYS 51 -0.499 9.895 -8.934 432 HB2 LYS 51 2HB LYS 51 0.609 7.650 -9.428 433 HB3 LYS 51 1HB LYS 51 0.697 8.196 -11.097 434 HG2 LYS 51 2HG LYS 51 2.056 10.071 -10.467 435 HG3 LYS 51 1HG LYS 51 1.866 9.682 -8.757 436 HD2 LYS 51 2HD LYS 51 2.944 7.464 -9.265 437 HD3 LYS 51 1HD LYS 51 3.328 8.109 -10.861 438 HE2 LYS 51 2HE LYS 51 4.591 9.918 -9.846 439 HE3 LYS 51 1HE LYS 51 4.165 9.333 -8.238 440 HZ1 LYS 51 1HZ LYS 51 5.283 7.192 -8.966 441 HZ2 LYS 51 2HZ LYS 51 6.271 8.509 -8.606 442 HZ3 LYS 51 3HZ LYS 51 5.966 8.101 -10.222 443 H SER 52 H SER 52 -2.153 9.264 -11.895 444 HA SER 52 HA SER 52 -0.918 11.471 -13.274 445 HB2 SER 52 2HB SER 52 -3.336 9.820 -14.019 446 HB3 SER 52 1HB SER 52 -2.520 10.983 -15.067 447 HG SER 52 HG SER 52 -1.882 8.419 -14.534 448 H GLY 53 H GLY 53 -2.906 11.456 -10.752 449 HA2 GLY 53 2HA GLY 53 -3.973 13.254 -9.774 450 HA3 GLY 53 1HA GLY 53 -3.728 14.162 -11.254 451 H GLU 54 H GLU 54 -5.246 11.072 -11.437 452 HA GLU 54 HA GLU 54 -7.729 12.398 -12.200 453 HB2 GLU 54 2HB GLU 54 -6.682 10.670 -13.689 454 HB3 GLU 54 1HB GLU 54 -6.984 9.475 -12.436 455 HG2 GLU 54 2HG GLU 54 -8.702 9.259 -14.031 456 HG3 GLU 54 1HG GLU 54 -9.415 10.036 -12.621 457 H GLU 55 H GLU 55 -6.814 9.500 -10.363 458 HA GLU 55 HA GLU 55 -9.179 9.868 -8.670 459 HB2 GLU 55 2HB GLU 55 -7.344 7.486 -8.997 460 HB3 GLU 55 1HB GLU 55 -8.755 7.540 -7.953 461 HG2 GLU 55 2HG GLU 55 -8.818 7.866 -10.945 462 HG3 GLU 55 1HG GLU 55 -9.145 6.363 -10.085 463 H ASP 56 H ASP 56 -8.942 9.565 -6.355 464 HA ASP 56 HA ASP 56 -6.415 10.695 -5.388 465 HB2 ASP 56 2HB ASP 56 -8.363 11.961 -4.752 466 HB3 ASP 56 1HB ASP 56 -9.158 10.516 -4.137 467 H PHE 57 H PHE 57 -5.022 9.535 -4.216 468 HA PHE 57 HA PHE 57 -5.186 6.774 -4.024 469 HB2 PHE 57 2HB PHE 57 -3.081 8.104 -3.903 470 HB3 PHE 57 1HB PHE 57 -3.511 8.565 -2.263 471 HD1 PHE 57 1HD PHE 57 -2.337 5.860 -4.415 472 HD2 PHE 57 2HD PHE 57 -3.388 6.960 -0.441 473 HE1 PHE 57 1HE PHE 57 -1.254 3.828 -3.568 474 HE2 PHE 57 2HE PHE 57 -2.300 4.925 0.409 475 HZ PHE 57 HZ PHE 57 -1.232 3.357 -1.154 476 H GLU 58 H GLU 58 -5.683 9.157 -1.418 477 HA GLU 58 HA GLU 58 -6.171 7.318 0.627 478 HB2 GLU 58 2HB GLU 58 -7.167 10.133 0.267 479 HB3 GLU 58 1HB GLU 58 -7.386 9.208 1.743 480 HG2 GLU 58 2HG GLU 58 -4.962 9.039 1.989 481 HG3 GLU 58 1HG GLU 58 -4.753 9.975 0.507 482 H SER 59 H SER 59 -8.341 8.674 -1.769 483 HA SER 59 HA SER 59 -10.744 7.732 -0.619 484 HB2 SER 59 2HB SER 59 -10.141 8.304 -3.526 485 HB3 SER 59 1HB SER 59 -11.743 8.206 -2.791 486 HG SER 59 HG SER 59 -9.718 10.065 -2.033 487 H LEU 60 H LEU 60 -8.542 6.364 -3.034 488 HA LEU 60 HA LEU 60 -10.135 4.010 -3.329 489 HB2 LEU 60 2HB LEU 60 -7.424 4.814 -4.315 490 HB3 LEU 60 1HB LEU 60 -7.960 3.150 -4.461 491 HG LEU 60 HG LEU 60 -10.002 4.075 -5.670 492 HD11 LEU 60 1HD1 LEU 60 -8.271 6.515 -5.878 493 HD12 LEU 60 2HD1 LEU 60 -9.799 6.383 -5.007 494 HD13 LEU 60 3HD1 LEU 60 -9.768 6.218 -6.763 495 HD21 LEU 60 1HD2 LEU 60 -8.201 2.889 -6.811 496 HD22 LEU 60 2HD2 LEU 60 -7.298 4.396 -6.961 497 HD23 LEU 60 3HD2 LEU 60 -8.831 4.199 -7.808 498 H ALA 61 H ALA 61 -7.456 4.967 -1.323 499 HA ALA 61 HA ALA 61 -6.825 2.364 -0.363 500 HB1 ALA 61 1HB ALA 61 -6.365 5.032 0.970 501 HB2 ALA 61 2HB ALA 61 -5.270 4.266 -0.181 502 HB3 ALA 61 3HB ALA 61 -5.577 3.509 1.381 503 H SER 62 H SER 62 -9.398 4.484 0.200 504 HA SER 62 HA SER 62 -10.096 3.216 2.730 505 HB2 SER 62 2HB SER 62 -10.229 5.738 2.372 506 HB3 SER 62 1HB SER 62 -11.586 5.423 1.294 507 HG SER 62 HG SER 62 -11.429 4.612 4.012 508 H GLN 63 H GLN 63 -10.361 2.392 -0.380 509 HA GLN 63 HA GLN 63 -13.027 1.201 -0.017 510 HB2 GLN 63 2HB GLN 63 -11.969 2.530 -2.501 511 HB3 GLN 63 1HB GLN 63 -13.408 1.523 -2.473 512 HG2 GLN 63 2HG GLN 63 -14.498 3.058 -0.960 513 HG3 GLN 63 1HG GLN 63 -13.035 4.036 -0.858 514 HE21 GLN 63 1HE2 GLN 63 -12.439 3.737 -3.696 515 HE22 GLN 63 2HE2 GLN 63 -13.560 4.753 -4.527 516 H PHE 64 H PHE 64 -9.904 0.964 -1.682 517 HA PHE 64 HA PHE 64 -10.568 -1.817 -2.368 518 HB2 PHE 64 2HB PHE 64 -8.504 0.016 -3.589 519 HB3 PHE 64 1HB PHE 64 -8.817 -1.643 -4.088 520 HD1 PHE 64 1HD PHE 64 -9.755 1.787 -4.454 521 HD2 PHE 64 2HD PHE 64 -11.116 -2.209 -4.974 522 HE1 PHE 64 1HE PHE 64 -11.507 2.586 -5.987 523 HE2 PHE 64 2HE PHE 64 -12.864 -1.418 -6.508 524 HZ PHE 64 HZ PHE 64 -13.062 0.982 -7.014 525 H SER 65 H SER 65 -9.285 -0.535 0.148 526 HA SER 65 HA SER 65 -6.861 -2.168 0.194 527 HB2 SER 65 2HB SER 65 -6.829 0.263 0.970 528 HB3 SER 65 1HB SER 65 -7.805 -0.256 2.338 529 HG SER 65 HG SER 65 -5.450 -0.183 2.637 530 H ASP 66 H ASP 66 -6.982 -4.137 1.020 531 HA ASP 66 HA ASP 66 -9.342 -5.034 2.415 532 HB2 ASP 66 2HB ASP 66 -6.762 -6.425 1.679 533 HB3 ASP 66 1HB ASP 66 -8.047 -7.220 2.577 534 H CYS 67 H CYS 67 -6.725 -3.372 3.372 535 HA CYS 67 HA CYS 67 -6.361 -4.613 5.971 536 HB2 CYS 67 2HB CYS 67 -4.412 -3.706 4.786 537 HB3 CYS 67 1HB CYS 67 -5.170 -2.122 4.718 538 HG CYS 67 HG CYS 67 -4.270 -3.664 7.643 539 H SER 68 H SER 68 -6.769 -3.412 7.961 540 HA SER 68 HA SER 68 -9.255 -2.043 7.930 541 HB2 SER 68 2HB SER 68 -7.246 -2.328 10.176 542 HB3 SER 68 1HB SER 68 -8.921 -1.805 10.353 543 HG SER 68 HG SER 68 -9.557 -3.846 9.513 544 H SER 69 H SER 69 -6.228 -1.007 7.178 545 HA SER 69 HA SER 69 -6.160 1.604 8.220 546 HB2 SER 69 2HB SER 69 -4.248 0.323 7.143 547 HB3 SER 69 1HB SER 69 -4.986 0.694 5.588 548 HG SER 69 HG SER 69 -4.395 2.733 7.448 549 H ALA 70 H ALA 70 -8.021 0.125 5.759 550 HA ALA 70 HA ALA 70 -8.584 2.169 3.995 551 HB1 ALA 70 1HB ALA 70 -10.511 0.087 5.018 552 HB2 ALA 70 2HB ALA 70 -9.340 -0.153 3.724 553 HB3 ALA 70 3HB ALA 70 -10.659 0.999 3.517 554 H LYS 71 H LYS 71 -9.984 1.585 7.212 555 HA LYS 71 HA LYS 71 -11.864 3.732 6.888 556 HB2 LYS 71 2HB LYS 71 -12.377 3.348 9.329 557 HB3 LYS 71 1HB LYS 71 -12.641 1.977 8.272 558 HG2 LYS 71 2HG LYS 71 -11.665 1.109 10.230 559 HG3 LYS 71 1HG LYS 71 -10.385 1.114 9.023 560 HD2 LYS 71 2HD LYS 71 -9.472 1.888 11.106 561 HD3 LYS 71 1HD LYS 71 -9.562 3.259 10.001 562 HE2 LYS 71 2HE LYS 71 -10.293 3.857 12.265 563 HE3 LYS 71 1HE LYS 71 -11.598 4.030 11.095 564 HZ1 LYS 71 1HZ LYS 71 -11.232 1.680 12.872 565 HZ2 LYS 71 2HZ LYS 71 -12.545 1.977 11.846 566 HZ3 LYS 71 3HZ LYS 71 -12.281 2.968 13.185 567 H ALA 72 H ALA 72 -8.681 3.836 7.244 568 HA ALA 72 HA ALA 72 -8.777 6.364 8.748 569 HB1 ALA 72 1HB ALA 72 -6.439 5.963 9.366 570 HB2 ALA 72 2HB ALA 72 -6.468 4.430 8.495 571 HB3 ALA 72 3HB ALA 72 -7.477 4.651 9.925 572 H ARG 73 H ARG 73 -9.106 5.566 5.827 573 HA ARG 73 HA ARG 73 -8.661 6.449 3.785 574 HB2 ARG 73 2HB ARG 73 -7.344 8.550 5.495 575 HB3 ARG 73 1HB ARG 73 -7.347 8.655 3.741 576 HG2 ARG 73 2HG ARG 73 -9.703 8.829 3.663 577 HG3 ARG 73 1HG ARG 73 -9.861 8.377 5.358 578 HD2 ARG 73 2HD ARG 73 -10.186 10.786 5.009 579 HD3 ARG 73 1HD ARG 73 -8.798 10.450 6.037 580 HE ARG 73 HE ARG 73 -7.439 10.794 3.928 581 HH11 ARG 73 1HH1 ARG 73 -10.524 12.403 4.451 582 HH12 ARG 73 2HH1 ARG 73 -10.132 13.745 3.438 583 HH21 ARG 73 1HH2 ARG 73 -6.926 12.578 2.618 584 HH22 ARG 73 2HH2 ARG 73 -8.080 13.852 2.395 585 H GLY 74 H GLY 74 -6.672 4.690 5.355 586 HA2 GLY 74 2HA GLY 74 -4.838 3.482 4.670 587 HA3 GLY 74 1HA GLY 74 -4.811 4.435 3.195 588 H ASP 75 H ASP 75 -4.860 6.519 5.771 589 HA ASP 75 HA ASP 75 -2.075 7.186 5.355 590 HB2 ASP 75 2HB ASP 75 -3.614 9.024 5.392 591 HB3 ASP 75 1HB ASP 75 -4.282 8.510 6.937 592 H LEU 76 H LEU 76 -0.442 6.700 6.648 593 HA LEU 76 HA LEU 76 -1.004 5.292 9.154 594 HB2 LEU 76 2HB LEU 76 1.461 5.536 7.448 595 HB3 LEU 76 1HB LEU 76 1.495 4.822 9.047 596 HG LEU 76 HG LEU 76 -0.211 3.784 6.787 597 HD11 LEU 76 1HD1 LEU 76 2.477 2.830 7.767 598 HD12 LEU 76 2HD1 LEU 76 2.149 3.590 6.211 599 HD13 LEU 76 3HD1 LEU 76 1.462 2.010 6.582 600 HD21 LEU 76 1HD2 LEU 76 -1.026 3.215 9.012 601 HD22 LEU 76 2HD2 LEU 76 0.570 2.615 9.457 602 HD23 LEU 76 3HD2 LEU 76 -0.365 1.791 8.209 603 H GLY 77 H GLY 77 -0.172 8.364 8.081 604 HA2 GLY 77 2HA GLY 77 0.343 10.251 9.307 605 HA3 GLY 77 1HA GLY 77 0.393 9.250 10.755 606 H ALA 78 H ALA 78 2.294 10.619 11.226 607 HA ALA 78 HA ALA 78 4.665 10.092 9.650 608 HB1 ALA 78 1HB ALA 78 5.783 11.606 11.201 609 HB2 ALA 78 2HB ALA 78 4.341 11.650 12.215 610 HB3 ALA 78 3HB ALA 78 4.295 12.326 10.587 611 H PHE 79 H PHE 79 5.942 8.405 9.982 612 HA PHE 79 HA PHE 79 6.112 7.299 12.691 613 HB2 PHE 79 2HB PHE 79 6.145 4.999 11.744 614 HB3 PHE 79 1HB PHE 79 4.610 5.821 11.500 615 HD1 PHE 79 1HD PHE 79 7.563 4.413 9.888 616 HD2 PHE 79 2HD PHE 79 3.919 6.523 9.267 617 HE1 PHE 79 1HE PHE 79 7.685 3.911 7.483 618 HE2 PHE 79 2HE PHE 79 4.035 6.025 6.863 619 HZ PHE 79 HZ PHE 79 5.919 4.717 5.968 620 H SER 80 H SER 80 8.036 6.033 13.097 621 HA SER 80 HA SER 80 10.310 7.009 11.525 622 HB2 SER 80 2HB SER 80 10.182 7.590 13.981 623 HB3 SER 80 1HB SER 80 10.334 5.871 14.334 624 HG SER 80 HG SER 80 12.288 7.482 14.108 625 H ARG 81 H ARG 81 12.256 5.362 11.817 626 HA ARG 81 HA ARG 81 11.449 2.976 10.438 627 HB2 ARG 81 2HB ARG 81 14.174 3.819 11.440 628 HB3 ARG 81 1HB ARG 81 13.862 2.456 10.378 629 HG2 ARG 81 2HG ARG 81 13.064 3.958 8.646 630 HG3 ARG 81 1HG ARG 81 13.303 5.341 9.716 631 HD2 ARG 81 2HD ARG 81 15.447 3.482 8.683 632 HD3 ARG 81 1HD ARG 81 15.163 5.143 8.160 633 HE ARG 81 HE ARG 81 15.540 5.267 10.885 634 HH11 ARG 81 1HH1 ARG 81 17.438 4.294 8.095 635 HH12 ARG 81 2HH1 ARG 81 18.954 4.591 8.871 636 HH21 ARG 81 1HH2 ARG 81 17.544 5.679 11.900 637 HH22 ARG 81 2HH2 ARG 81 19.017 5.379 11.047 638 H GLY 82 H GLY 82 11.966 0.823 11.076 639 HA2 GLY 82 2HA GLY 82 12.450 -0.872 12.610 640 HA3 GLY 82 1HA GLY 82 12.582 0.336 13.881 641 H GLN 83 H GLN 83 9.845 0.250 11.713 642 HA GLN 83 HA GLN 83 8.226 -0.903 13.882 643 HB2 GLN 83 2HB GLN 83 7.655 1.631 12.361 644 HB3 GLN 83 1HB GLN 83 6.454 0.793 13.332 645 HG2 GLN 83 2HG GLN 83 7.812 1.106 15.320 646 HG3 GLN 83 1HG GLN 83 9.063 1.889 14.360 647 HE21 GLN 83 1HE2 GLN 83 7.198 3.347 12.707 648 HE22 GLN 83 2HE2 GLN 83 6.541 4.601 13.702 649 H MET 84 H MET 84 8.485 -0.202 10.430 650 HA MET 84 HA MET 84 6.206 -2.006 9.932 651 HB2 MET 84 2HB MET 84 7.604 -0.146 7.999 652 HB3 MET 84 1HB MET 84 6.123 -1.040 7.701 653 HG2 MET 84 2HG MET 84 6.456 1.144 9.746 654 HG3 MET 84 1HG MET 84 5.731 1.338 8.153 655 HE1 MET 84 1HE MET 84 3.666 2.452 9.428 656 HE2 MET 84 2HE MET 84 4.348 2.110 11.017 657 HE3 MET 84 3HE MET 84 2.695 1.622 10.642 658 H GLN 85 H GLN 85 6.496 -3.258 7.760 659 HA GLN 85 HA GLN 85 8.552 -5.141 7.964 660 HB2 GLN 85 2HB GLN 85 6.904 -4.296 5.572 661 HB3 GLN 85 1HB GLN 85 7.993 -5.675 5.555 662 HG2 GLN 85 2HG GLN 85 5.692 -5.385 7.464 663 HG3 GLN 85 1HG GLN 85 5.590 -6.222 5.916 664 HE21 GLN 85 1HE2 GLN 85 6.911 -6.284 9.122 665 HE22 GLN 85 2HE2 GLN 85 7.393 -7.941 9.106 666 H LYS 86 H LYS 86 10.615 -5.265 7.108 667 HA LYS 86 HA LYS 86 11.997 -2.906 6.764 668 HB2 LYS 86 2HB LYS 86 12.987 -5.160 7.333 669 HB3 LYS 86 1HB LYS 86 12.970 -5.520 5.615 670 HG2 LYS 86 2HG LYS 86 14.418 -3.598 5.190 671 HG3 LYS 86 1HG LYS 86 14.434 -3.232 6.915 672 HD2 LYS 86 2HD LYS 86 15.408 -5.497 7.309 673 HD3 LYS 86 1HD LYS 86 15.529 -5.692 5.559 674 HE2 LYS 86 2HE LYS 86 16.852 -3.516 7.180 675 HE3 LYS 86 1HE LYS 86 17.651 -4.956 6.560 676 HZ1 LYS 86 1HZ LYS 86 17.168 -4.216 4.317 677 HZ2 LYS 86 2HZ LYS 86 18.040 -3.033 5.149 678 HZ3 LYS 86 3HZ LYS 86 16.380 -2.843 4.905 679 HA PRO 87 HA PRO 87 12.010 -3.498 1.895 680 HB2 PRO 87 2HB PRO 87 9.434 -4.936 1.540 681 HB3 PRO 87 1HB PRO 87 10.961 -5.142 0.675 682 HG2 PRO 87 2HG PRO 87 10.156 -6.954 2.448 683 HG3 PRO 87 1HG PRO 87 11.866 -6.500 2.323 684 HD2 PRO 87 2HD PRO 87 9.824 -5.663 4.343 685 HD3 PRO 87 1HD PRO 87 11.525 -6.108 4.579 686 H PHE 88 H PHE 88 9.023 -3.302 3.714 687 HA PHE 88 HA PHE 88 7.708 -1.405 2.018 688 HB2 PHE 88 2HB PHE 88 6.481 -2.985 3.472 689 HB3 PHE 88 1HB PHE 88 7.182 -2.227 4.890 690 HD1 PHE 88 1HD PHE 88 4.570 -2.099 2.404 691 HD2 PHE 88 2HD PHE 88 6.487 0.088 5.513 692 HE1 PHE 88 1HE PHE 88 2.636 -0.582 2.529 693 HE2 PHE 88 2HE PHE 88 4.559 1.608 5.638 694 HZ PHE 88 HZ PHE 88 2.630 1.273 4.149 695 H GLU 89 H GLU 89 9.293 -1.265 5.164 696 HA GLU 89 HA GLU 89 9.001 1.500 5.614 697 HB2 GLU 89 2HB GLU 89 9.489 -0.386 7.252 698 HB3 GLU 89 1HB GLU 89 11.154 -0.290 6.711 699 HG2 GLU 89 2HG GLU 89 11.386 1.909 7.561 700 HG3 GLU 89 1HG GLU 89 9.653 2.023 7.890 701 H ASP 90 H ASP 90 11.569 -0.454 4.191 702 HA ASP 90 HA ASP 90 13.530 1.517 3.865 703 HB2 ASP 90 2HB ASP 90 13.948 -0.887 3.524 704 HB3 ASP 90 1HB ASP 90 12.923 -0.865 2.098 705 H ALA 91 H ALA 91 10.842 0.546 1.807 706 HA ALA 91 HA ALA 91 11.481 2.319 -0.326 707 HB1 ALA 91 1HB ALA 91 9.297 1.703 -1.223 708 HB2 ALA 91 2HB ALA 91 8.886 0.919 0.301 709 HB3 ALA 91 3HB ALA 91 10.193 0.279 -0.694 710 H ALA 92 H ALA 92 9.355 2.490 2.476 711 HA ALA 92 HA ALA 92 7.911 4.785 1.788 712 HB1 ALA 92 1HB ALA 92 7.422 4.998 4.165 713 HB2 ALA 92 2HB ALA 92 8.727 3.876 4.547 714 HB3 ALA 92 3HB ALA 92 7.312 3.313 3.656 715 H PHE 93 H PHE 93 10.946 4.478 3.607 716 HA PHE 93 HA PHE 93 11.233 7.335 3.825 717 HB2 PHE 93 2HB PHE 93 13.011 5.028 4.592 718 HB3 PHE 93 1HB PHE 93 13.531 6.702 4.746 719 HD1 PHE 93 1HD PHE 93 12.865 8.013 6.574 720 HD2 PHE 93 2HD PHE 93 10.993 4.256 5.881 721 HE1 PHE 93 1HE PHE 93 11.770 8.157 8.772 722 HE2 PHE 93 2HE PHE 93 9.894 4.395 8.077 723 HZ PHE 93 HZ PHE 93 10.282 6.345 9.523 724 H ALA 94 H ALA 94 11.790 5.150 1.380 725 HA ALA 94 HA ALA 94 14.061 6.585 0.251 726 HB1 ALA 94 1HB ALA 94 12.554 4.218 -0.850 727 HB2 ALA 94 2HB ALA 94 14.018 4.128 0.130 728 HB3 ALA 94 3HB ALA 94 14.069 4.877 -1.466 729 H LEU 95 H LEU 95 10.789 6.930 0.334 730 HA LEU 95 HA LEU 95 10.481 7.870 -2.401 731 HB2 LEU 95 2HB LEU 95 8.547 7.759 -0.096 732 HB3 LEU 95 1HB LEU 95 8.147 8.350 -1.693 733 HG LEU 95 HG LEU 95 8.956 5.529 -1.007 734 HD11 LEU 95 1HD1 LEU 95 6.301 6.714 -1.796 735 HD12 LEU 95 2HD1 LEU 95 6.738 6.116 -0.197 736 HD13 LEU 95 3HD1 LEU 95 6.633 5.000 -1.557 737 HD21 LEU 95 1HD2 LEU 95 9.701 6.168 -3.241 738 HD22 LEU 95 2HD2 LEU 95 8.080 6.746 -3.628 739 HD23 LEU 95 3HD2 LEU 95 8.358 5.030 -3.328 740 H ARG 96 H ARG 96 9.558 9.969 -2.798 741 HA ARG 96 HA ARG 96 10.626 12.003 -0.976 742 HB2 ARG 96 2HB ARG 96 9.740 12.260 -3.863 743 HB3 ARG 96 1HB ARG 96 10.494 13.521 -2.897 744 HG2 ARG 96 2HG ARG 96 12.538 12.233 -2.758 745 HG3 ARG 96 1HG ARG 96 11.782 10.910 -3.642 746 HD2 ARG 96 2HD ARG 96 11.492 12.408 -5.576 747 HD3 ARG 96 1HD ARG 96 12.323 13.686 -4.685 748 HE ARG 96 HE ARG 96 14.182 11.870 -4.573 749 HH11 ARG 96 1HH1 ARG 96 12.129 12.619 -7.323 750 HH12 ARG 96 2HH1 ARG 96 13.265 12.036 -8.485 751 HH21 ARG 96 1HH2 ARG 96 15.690 11.115 -6.115 752 HH22 ARG 96 2HH2 ARG 96 15.304 11.189 -7.798 753 H THR 97 H THR 97 9.233 13.972 -0.756 754 HA THR 97 HA THR 97 6.655 13.258 0.102 755 HB THR 97 HB THR 97 7.632 16.042 -0.555 756 HG1 THR 97 1HG THR 97 7.802 14.700 1.964 757 HG21 THR 97 1HG2 THR 97 5.551 15.009 1.377 758 HG22 THR 97 2HG2 THR 97 5.242 15.914 -0.105 759 HG23 THR 97 3HG2 THR 97 6.068 16.689 1.248 760 H GLY 98 H GLY 98 5.143 12.561 -1.274 761 HA2 GLY 98 2HA GLY 98 3.405 13.222 -2.809 762 HA3 GLY 98 1HA GLY 98 4.599 14.180 -3.676 763 H GLU 99 H GLU 99 6.226 11.499 -2.889 764 HA GLU 99 HA GLU 99 5.826 10.360 -5.540 765 HB2 GLU 99 2HB GLU 99 8.068 10.727 -3.822 766 HB3 GLU 99 1HB GLU 99 7.883 9.006 -4.125 767 HG2 GLU 99 2HG GLU 99 7.968 11.079 -6.299 768 HG3 GLU 99 1HG GLU 99 9.386 10.218 -5.708 769 H MET 100 H MET 100 5.648 8.132 -5.889 770 HA MET 100 HA MET 100 4.461 6.629 -3.653 771 HB2 MET 100 2HB MET 100 2.719 7.489 -5.196 772 HB3 MET 100 1HB MET 100 3.505 6.651 -6.523 773 HG2 MET 100 2HG MET 100 3.002 4.521 -5.554 774 HG3 MET 100 1HG MET 100 2.383 5.284 -4.091 775 HE1 MET 100 1HE MET 100 1.857 4.805 -7.939 776 HE2 MET 100 2HE MET 100 1.773 6.560 -7.773 777 HE3 MET 100 3HE MET 100 0.331 5.646 -8.208 778 H SER 101 H SER 101 5.243 4.640 -3.377 779 HA SER 101 HA SER 101 7.554 3.809 -4.807 780 HB2 SER 101 2HB SER 101 7.217 3.296 -2.415 781 HB3 SER 101 1HB SER 101 5.861 2.252 -2.834 782 HG SER 101 HG SER 101 7.256 0.843 -3.819 783 H GLY 102 H GLY 102 4.186 2.775 -4.852 784 HA2 GLY 102 2HA GLY 102 3.200 1.932 -6.851 785 HA3 GLY 102 1HA GLY 102 4.782 1.329 -7.331 786 HA PRO 103 HA PRO 103 2.829 -2.348 -5.640 787 HB2 PRO 103 2HB PRO 103 3.926 -4.119 -7.329 788 HB3 PRO 103 1HB PRO 103 2.606 -3.055 -7.820 789 HG2 PRO 103 2HG PRO 103 5.489 -2.918 -8.493 790 HG3 PRO 103 1HG PRO 103 4.088 -2.367 -9.425 791 HD2 PRO 103 2HD PRO 103 5.814 -0.782 -7.815 792 HD3 PRO 103 1HD PRO 103 4.308 -0.269 -8.600 793 H VAL 104 H VAL 104 3.822 -2.530 -3.644 794 HA VAL 104 HA VAL 104 6.511 -3.693 -3.543 795 HB VAL 104 HB VAL 104 4.729 -2.753 -1.274 796 HG11 VAL 104 1HG1 VAL 104 7.634 -3.576 -1.264 797 HG12 VAL 104 2HG1 VAL 104 6.296 -4.485 -0.564 798 HG13 VAL 104 3HG1 VAL 104 6.747 -2.919 0.112 799 HG21 VAL 104 1HG2 VAL 104 5.436 -0.898 -2.685 800 HG22 VAL 104 2HG2 VAL 104 7.116 -1.422 -2.555 801 HG23 VAL 104 3HG2 VAL 104 6.259 -0.839 -1.127 802 H PHE 105 H PHE 105 6.645 -5.824 -3.580 803 HA PHE 105 HA PHE 105 4.275 -7.422 -3.082 804 HB2 PHE 105 2HB PHE 105 6.997 -8.249 -4.092 805 HB3 PHE 105 1HB PHE 105 5.551 -9.251 -4.071 806 HD1 PHE 105 1HD PHE 105 3.648 -8.693 -5.549 807 HD2 PHE 105 2HD PHE 105 7.371 -6.654 -5.803 808 HE1 PHE 105 1HE PHE 105 3.038 -7.867 -7.780 809 HE2 PHE 105 2HE PHE 105 6.767 -5.820 -8.036 810 HZ PHE 105 HZ PHE 105 4.598 -6.426 -9.029 811 H THR 106 H THR 106 3.945 -8.747 -1.418 812 HA THR 106 HA THR 106 6.149 -9.514 0.347 813 HB THR 106 HB THR 106 4.725 -9.005 2.359 814 HG1 THR 106 1HG THR 106 3.079 -8.030 0.328 815 HG21 THR 106 1HG2 THR 106 5.194 -6.589 2.413 816 HG22 THR 106 2HG2 THR 106 5.478 -6.609 0.671 817 HG23 THR 106 3HG2 THR 106 6.556 -7.494 1.751 818 H ASP 107 H ASP 107 4.916 -10.924 2.223 819 HA ASP 107 HA ASP 107 3.865 -13.187 0.847 820 HB2 ASP 107 2HB ASP 107 4.197 -12.555 3.779 821 HB3 ASP 107 1HB ASP 107 3.481 -14.061 3.220 822 H SER 108 H SER 108 2.441 -10.712 2.927 823 HA SER 108 HA SER 108 -0.130 -11.893 3.084 824 HB2 SER 108 2HB SER 108 0.772 -10.157 4.669 825 HB3 SER 108 1HB SER 108 0.548 -8.958 3.396 826 HG SER 108 HG SER 108 -1.283 -8.865 4.591 827 H GLY 109 H GLY 109 1.349 -9.625 0.846 828 HA2 GLY 109 2HA GLY 109 -0.132 -10.196 -1.358 829 HA3 GLY 109 1HA GLY 109 -1.104 -9.003 -0.506 830 H ILE 110 H ILE 110 -0.864 -7.448 -2.085 831 HA ILE 110 HA ILE 110 1.873 -6.441 -2.487 832 HB ILE 110 HB ILE 110 -0.570 -5.858 -4.186 833 HG12 ILE 110 2HG1 ILE 110 1.729 -7.747 -4.750 834 HG13 ILE 110 1HG1 ILE 110 0.113 -8.250 -4.271 835 HG21 ILE 110 1HG2 ILE 110 2.366 -5.295 -4.614 836 HG22 ILE 110 2HG2 ILE 110 1.103 -4.104 -4.305 837 HG23 ILE 110 3HG2 ILE 110 1.100 -5.022 -5.810 838 HD11 ILE 110 1HD1 ILE 110 0.833 -6.777 -6.794 839 HD12 ILE 110 2HD1 ILE 110 -0.791 -7.276 -6.316 840 HD13 ILE 110 3HD1 ILE 110 0.441 -8.491 -6.659 841 H HIS 111 H HIS 111 2.362 -4.356 -1.972 842 HA HIS 111 HA HIS 111 0.220 -2.778 -0.676 843 HB2 HIS 111 2HB HIS 111 3.149 -2.826 0.102 844 HB3 HIS 111 1HB HIS 111 1.876 -1.914 0.893 845 HD1 HIS 111 1HD HIS 111 1.282 -2.953 3.059 846 HD2 HIS 111 2HD HIS 111 2.377 -5.798 0.242 847 HE1 HIS 111 1HE HIS 111 1.154 -5.155 4.243 848 HE2 HIS 111 2HE HIS 111 2.113 -6.797 2.604 849 H ILE 112 H ILE 112 -0.008 -0.731 -1.378 850 HA ILE 112 HA ILE 112 2.091 0.361 -3.137 851 HB ILE 112 HB ILE 112 -0.720 1.443 -2.798 852 HG12 ILE 112 2HG1 ILE 112 0.338 -0.362 -4.989 853 HG13 ILE 112 1HG1 ILE 112 -0.812 -0.838 -3.742 854 HG21 ILE 112 1HG2 ILE 112 1.415 1.944 -4.869 855 HG22 ILE 112 2HG2 ILE 112 0.887 3.063 -3.613 856 HG23 ILE 112 3HG2 ILE 112 -0.217 2.610 -4.913 857 HD11 ILE 112 1HD1 ILE 112 -1.267 1.241 -5.876 858 HD12 ILE 112 2HD1 ILE 112 -2.419 0.793 -4.618 859 HD13 ILE 112 3HD1 ILE 112 -1.947 -0.386 -5.840 860 H ILE 113 H ILE 113 3.321 1.974 -2.357 861 HA ILE 113 HA ILE 113 2.472 3.224 0.177 862 HB ILE 113 HB ILE 113 5.296 3.043 -0.882 863 HG12 ILE 113 2HG1 ILE 113 3.985 1.297 1.210 864 HG13 ILE 113 1HG1 ILE 113 4.332 0.792 -0.440 865 HG21 ILE 113 1HG2 ILE 113 4.205 3.711 1.853 866 HG22 ILE 113 2HG2 ILE 113 4.916 4.849 0.709 867 HG23 ILE 113 3HG2 ILE 113 5.913 3.587 1.433 868 HD11 ILE 113 1HD1 ILE 113 6.366 1.616 1.618 869 HD12 ILE 113 2HD1 ILE 113 6.714 1.108 -0.034 870 HD13 ILE 113 3HD1 ILE 113 6.005 -0.033 1.109 871 H LEU 114 H LEU 114 2.075 5.334 0.183 872 HA LEU 114 HA LEU 114 3.271 7.027 -1.918 873 HB2 LEU 114 2HB LEU 114 0.925 6.755 -2.440 874 HB3 LEU 114 1HB LEU 114 0.470 7.132 -0.791 875 HG LEU 114 HG LEU 114 1.424 9.443 -1.166 876 HD11 LEU 114 1HD1 LEU 114 1.386 8.572 -4.045 877 HD12 LEU 114 2HD1 LEU 114 2.825 8.925 -3.086 878 HD13 LEU 114 3HD1 LEU 114 1.673 10.209 -3.454 879 HD21 LEU 114 1HD2 LEU 114 -0.967 9.016 -1.180 880 HD22 LEU 114 2HD2 LEU 114 -0.894 8.584 -2.888 881 HD23 LEU 114 3HD2 LEU 114 -0.544 10.236 -2.380 882 H ARG 115 H ARG 115 4.644 8.429 -0.979 883 HA ARG 115 HA ARG 115 4.366 9.015 1.843 884 HB2 ARG 115 2HB ARG 115 6.616 8.633 1.001 885 HB3 ARG 115 1HB ARG 115 6.430 9.935 -0.169 886 HG2 ARG 115 2HG ARG 115 6.244 11.552 1.659 887 HG3 ARG 115 1HG ARG 115 6.439 10.249 2.828 888 HD2 ARG 115 2HD ARG 115 8.675 9.832 2.089 889 HD3 ARG 115 1HD ARG 115 8.482 10.925 0.717 890 HE ARG 115 HE ARG 115 7.983 12.383 3.046 891 HH11 ARG 115 1HH1 ARG 115 10.708 10.785 1.493 892 HH12 ARG 115 2HH1 ARG 115 11.878 11.850 2.197 893 HH21 ARG 115 1HH2 ARG 115 9.526 13.781 3.951 894 HH22 ARG 115 2HH2 ARG 115 11.206 13.566 3.596 895 H THR 116 H THR 116 2.949 10.487 2.446 896 HA THR 116 HA THR 116 2.212 12.637 0.665 897 HB THR 116 HB THR 116 0.643 13.216 2.599 898 HG1 THR 116 1HG THR 116 0.336 11.185 3.913 899 HG21 THR 116 1HG2 THR 116 0.429 10.491 1.304 900 HG22 THR 116 2HG2 THR 116 -0.087 12.015 0.584 901 HG23 THR 116 3HG2 THR 116 -0.905 11.397 2.018 902 H GLU 117 H GLU 117 3.999 12.174 3.644 903 HA GLU 117 HA GLU 117 4.911 14.958 3.430 904 HB2 GLU 117 2HB GLU 117 4.293 13.481 5.993 905 HB3 GLU 117 1HB GLU 117 5.182 14.980 5.916 906 HG2 GLU 117 2HG GLU 117 3.178 16.025 4.848 907 HG3 GLU 117 1HG GLU 117 2.302 14.532 5.198 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 28.442 11.290 7.573 2 H2 GLY 1 2HT GLY 1 26.882 10.894 7.057 3 H3 GLY 1 3HT GLY 1 27.102 12.037 8.277 4 HA2 GLY 1 1HA GLY 1 28.187 13.530 6.748 5 HA3 GLY 1 2HA GLY 1 27.979 12.344 5.470 6 H SER 2 H SER 2 25.809 11.816 4.809 7 HA SER 2 HA SER 2 23.746 13.720 5.618 8 HB2 SER 2 2HB SER 2 24.507 13.170 2.738 9 HB3 SER 2 1HB SER 2 23.164 14.178 3.273 10 HG SER 2 HG SER 2 24.894 15.369 4.463 11 H HIS 3 H HIS 3 22.251 12.383 6.418 12 HA HIS 3 HA HIS 3 21.809 9.752 5.315 13 HB2 HIS 3 2HB HIS 3 21.642 10.306 7.774 14 HB3 HIS 3 1HB HIS 3 20.187 11.219 7.417 15 HD1 HIS 3 1HD HIS 3 18.506 9.805 8.648 16 HD2 HIS 3 2HD HIS 3 20.872 7.560 6.070 17 HE1 HIS 3 1HE HIS 3 17.532 7.495 8.682 18 HE2 HIS 3 2HE HIS 3 18.817 6.224 6.940 19 H MET 4 H MET 4 21.036 9.950 3.261 20 HA MET 4 HA MET 4 19.121 11.813 2.351 21 HB2 MET 4 2HB MET 4 19.733 9.061 1.255 22 HB3 MET 4 1HB MET 4 18.861 10.326 0.407 23 HG2 MET 4 2HG MET 4 20.860 11.720 0.427 24 HG3 MET 4 1HG MET 4 21.733 10.453 1.287 25 HE1 MET 4 1HE MET 4 23.641 10.458 -0.550 26 HE2 MET 4 2HE MET 4 22.794 11.757 -1.389 27 HE3 MET 4 3HE MET 4 23.330 10.333 -2.281 28 H GLU 5 H GLU 5 18.867 8.594 3.625 29 HA GLU 5 HA GLU 5 16.085 8.238 3.251 30 HB2 GLU 5 2HB GLU 5 17.542 6.342 3.576 31 HB3 GLU 5 1HB GLU 5 18.107 6.978 5.109 32 HG2 GLU 5 2HG GLU 5 15.752 6.721 5.953 33 HG3 GLU 5 1HG GLU 5 15.410 5.840 4.464 34 HA PRO 6 HA PRO 6 14.839 10.724 6.769 35 HB2 PRO 6 2HB PRO 6 12.207 10.105 6.754 36 HB3 PRO 6 1HB PRO 6 12.922 11.204 5.571 37 HG2 PRO 6 2HG PRO 6 12.136 8.346 5.267 38 HG3 PRO 6 1HG PRO 6 12.022 9.674 4.102 39 HD2 PRO 6 2HD PRO 6 14.005 7.747 4.107 40 HD3 PRO 6 1HD PRO 6 14.150 9.346 3.354 41 H ALA 7 H ALA 7 14.308 10.361 8.937 42 HA ALA 7 HA ALA 7 14.482 7.588 9.817 43 HB1 ALA 7 1HB ALA 7 14.773 8.537 12.061 44 HB2 ALA 7 2HB ALA 7 14.473 10.153 11.419 45 HB3 ALA 7 3HB ALA 7 15.907 9.257 10.917 46 H ARG 8 H ARG 8 12.339 10.337 9.875 47 HA ARG 8 HA ARG 8 10.115 8.582 10.657 48 HB2 ARG 8 2HB ARG 8 10.586 11.469 11.430 49 HB3 ARG 8 1HB ARG 8 9.080 10.609 11.699 50 HG2 ARG 8 2HG ARG 8 10.172 9.083 13.212 51 HG3 ARG 8 1HG ARG 8 11.737 9.823 12.873 52 HD2 ARG 8 2HD ARG 8 11.072 11.876 13.886 53 HD3 ARG 8 1HD ARG 8 9.399 11.340 14.008 54 HE ARG 8 HE ARG 8 11.144 9.603 15.420 55 HH11 ARG 8 1HH1 ARG 8 9.663 12.776 15.624 56 HH12 ARG 8 2HH1 ARG 8 9.550 12.756 17.350 57 HH21 ARG 8 1HH2 ARG 8 11.015 9.585 17.721 58 HH22 ARG 8 2HH2 ARG 8 10.324 10.942 18.543 59 H VAL 9 H VAL 9 8.277 8.796 9.414 60 HA VAL 9 HA VAL 9 8.020 10.997 7.567 61 HB VAL 9 HB VAL 9 9.624 9.411 6.450 62 HG11 VAL 9 1HG1 VAL 9 7.226 7.592 6.353 63 HG12 VAL 9 2HG1 VAL 9 8.723 7.310 7.242 64 HG13 VAL 9 3HG1 VAL 9 8.738 7.345 5.479 65 HG21 VAL 9 1HG2 VAL 9 8.329 10.972 5.139 66 HG22 VAL 9 2HG2 VAL 9 6.974 9.845 5.092 67 HG23 VAL 9 3HG2 VAL 9 8.486 9.443 4.276 68 H ARG 10 H ARG 10 5.971 11.056 6.520 69 HA ARG 10 HA ARG 10 3.975 9.228 7.683 70 HB2 ARG 10 2HB ARG 10 3.649 11.632 8.218 71 HB3 ARG 10 1HB ARG 10 3.573 11.975 6.492 72 HG2 ARG 10 2HG ARG 10 1.592 10.574 6.291 73 HG3 ARG 10 1HG ARG 10 1.659 10.232 8.017 74 HD2 ARG 10 2HD ARG 10 1.451 12.691 8.420 75 HD3 ARG 10 1HD ARG 10 1.165 12.887 6.689 76 HE ARG 10 HE ARG 10 -0.569 10.932 7.786 77 HH11 ARG 10 1HH1 ARG 10 -0.135 14.421 7.500 78 HH12 ARG 10 2HH1 ARG 10 -1.802 14.766 7.814 79 HH21 ARG 10 1HH2 ARG 10 -2.731 11.388 8.215 80 HH22 ARG 10 2HH2 ARG 10 -3.301 13.030 8.211 81 H CYS 11 H CYS 11 3.194 7.760 6.304 82 HA CYS 11 HA CYS 11 2.984 8.490 3.479 83 HB2 CYS 11 2HB CYS 11 4.217 5.923 4.487 84 HB3 CYS 11 1HB CYS 11 3.876 6.298 2.803 85 HG CYS 11 HG CYS 11 5.701 8.683 4.142 86 H SER 12 H SER 12 1.276 7.683 2.421 87 HA SER 12 HA SER 12 -0.711 6.222 3.967 88 HB2 SER 12 2HB SER 12 -0.919 7.356 1.164 89 HB3 SER 12 1HB SER 12 -2.247 6.860 2.214 90 HG SER 12 HG SER 12 -0.772 8.641 3.527 91 H HIS 13 H HIS 13 -1.764 4.308 2.910 92 HA HIS 13 HA HIS 13 0.025 2.950 1.034 93 HB2 HIS 13 2HB HIS 13 0.150 0.916 2.371 94 HB3 HIS 13 1HB HIS 13 0.809 2.282 3.259 95 HD1 HIS 13 1HD HIS 13 -0.858 -0.584 4.077 96 HD2 HIS 13 2HD HIS 13 -1.771 3.407 4.793 97 HE1 HIS 13 1HE HIS 13 -2.419 -0.593 6.030 98 HE2 HIS 13 2HE HIS 13 -2.745 1.837 6.590 99 H LEU 14 H LEU 14 -0.883 1.627 -0.359 100 HA LEU 14 HA LEU 14 -3.791 1.138 -0.197 101 HB2 LEU 14 2HB LEU 14 -2.506 2.371 -2.182 102 HB3 LEU 14 1HB LEU 14 -2.111 0.737 -2.659 103 HG LEU 14 HG LEU 14 -3.992 1.572 -3.942 104 HD11 LEU 14 1HD1 LEU 14 -5.628 -0.182 -3.544 105 HD12 LEU 14 2HD1 LEU 14 -4.862 -0.540 -1.996 106 HD13 LEU 14 3HD1 LEU 14 -3.973 -0.793 -3.498 107 HD21 LEU 14 1HD2 LEU 14 -4.842 3.208 -2.378 108 HD22 LEU 14 2HD2 LEU 14 -5.388 1.921 -1.303 109 HD23 LEU 14 3HD2 LEU 14 -6.126 2.114 -2.893 110 H LEU 15 H LEU 15 -4.443 -1.005 -0.043 111 HA LEU 15 HA LEU 15 -2.348 -3.038 -0.409 112 HB2 LEU 15 2HB LEU 15 -2.462 -2.780 1.942 113 HB3 LEU 15 1HB LEU 15 -4.214 -2.769 1.926 114 HG LEU 15 HG LEU 15 -4.265 -5.151 1.382 115 HD11 LEU 15 1HD1 LEU 15 -2.217 -5.257 0.049 116 HD12 LEU 15 2HD1 LEU 15 -2.267 -6.500 1.299 117 HD13 LEU 15 3HD1 LEU 15 -1.261 -5.069 1.520 118 HD21 LEU 15 1HD2 LEU 15 -4.276 -4.689 3.709 119 HD22 LEU 15 2HD2 LEU 15 -2.536 -4.408 3.728 120 HD23 LEU 15 3HD2 LEU 15 -3.164 -6.033 3.459 121 H VAL 16 H VAL 16 -2.882 -4.331 -1.947 122 HA VAL 16 HA VAL 16 -5.666 -5.260 -2.143 123 HB VAL 16 HB VAL 16 -3.512 -5.184 -4.290 124 HG11 VAL 16 1HG1 VAL 16 -6.356 -6.177 -4.461 125 HG12 VAL 16 2HG1 VAL 16 -4.901 -7.172 -4.524 126 HG13 VAL 16 3HG1 VAL 16 -5.237 -6.018 -5.814 127 HG21 VAL 16 1HG2 VAL 16 -5.009 -3.602 -5.418 128 HG22 VAL 16 2HG2 VAL 16 -4.500 -2.999 -3.840 129 HG23 VAL 16 3HG2 VAL 16 -6.116 -3.676 -4.048 130 H LYS 17 H LYS 17 -5.821 -7.129 -1.079 131 HA LYS 17 HA LYS 17 -3.506 -8.769 -0.618 132 HB2 LYS 17 2HB LYS 17 -6.386 -9.123 0.188 133 HB3 LYS 17 1HB LYS 17 -5.100 -10.232 0.641 134 HG2 LYS 17 2HG LYS 17 -3.952 -8.415 1.814 135 HG3 LYS 17 1HG LYS 17 -5.255 -7.313 1.370 136 HD2 LYS 17 2HD LYS 17 -6.847 -8.690 2.627 137 HD3 LYS 17 1HD LYS 17 -5.543 -9.798 3.061 138 HE2 LYS 17 2HE LYS 17 -4.399 -7.999 4.250 139 HE3 LYS 17 1HE LYS 17 -5.669 -6.871 3.787 140 HZ1 LYS 17 1HZ LYS 17 -5.954 -7.670 6.041 141 HZ2 LYS 17 2HZ LYS 17 -6.028 -9.265 5.499 142 HZ3 LYS 17 3HZ LYS 17 -7.243 -8.177 5.073 143 H HIS 18 H HIS 18 -3.358 -11.014 -1.051 144 HA HIS 18 HA HIS 18 -4.738 -11.773 -3.528 145 HB2 HIS 18 2HB HIS 18 -2.628 -13.283 -3.878 146 HB3 HIS 18 1HB HIS 18 -2.551 -11.578 -4.288 147 HD1 HIS 18 1HD HIS 18 -1.264 -14.070 -1.743 148 HD2 HIS 18 2HD HIS 18 -0.721 -10.096 -2.837 149 HE1 HIS 18 1HE HIS 18 0.739 -13.287 -0.465 150 HE2 HIS 18 2HE HIS 18 1.172 -10.957 -1.304 151 H SER 19 H SER 19 -5.545 -13.784 -3.761 152 HA SER 19 HA SER 19 -6.580 -15.078 -1.545 153 HB2 SER 19 2HB SER 19 -7.433 -15.262 -3.883 154 HB3 SER 19 1HB SER 19 -6.071 -16.318 -4.256 155 HG SER 19 HG SER 19 -8.200 -16.771 -2.441 156 H GLN 20 H GLN 20 -3.711 -15.846 -3.434 157 HA GLN 20 HA GLN 20 -3.081 -18.143 -1.881 158 HB2 GLN 20 2HB GLN 20 -1.420 -16.543 -3.834 159 HB3 GLN 20 1HB GLN 20 -0.901 -18.048 -3.088 160 HG2 GLN 20 2HG GLN 20 -2.697 -19.251 -4.164 161 HG3 GLN 20 1HG GLN 20 -3.333 -17.751 -4.835 162 HE21 GLN 20 1HE2 GLN 20 0.092 -18.404 -4.648 163 HE22 GLN 20 2HE2 GLN 20 0.339 -18.600 -6.345 164 H SER 21 H SER 21 -3.100 -17.429 0.224 165 HA SER 21 HA SER 21 -0.604 -16.475 1.206 166 HB2 SER 21 2HB SER 21 -1.547 -14.532 2.454 167 HB3 SER 21 1HB SER 21 -1.627 -14.297 0.709 168 HG SER 21 HG SER 21 -3.762 -14.466 0.756 169 H ARG 22 H ARG 22 -1.125 -16.057 3.788 170 HA ARG 22 HA ARG 22 -1.892 -18.594 4.734 171 HB2 ARG 22 2HB ARG 22 -1.472 -17.815 6.934 172 HB3 ARG 22 1HB ARG 22 -0.320 -16.991 5.901 173 HG2 ARG 22 2HG ARG 22 -2.875 -15.785 6.957 174 HG3 ARG 22 1HG ARG 22 -1.272 -15.545 7.646 175 HD2 ARG 22 2HD ARG 22 -0.539 -14.540 5.521 176 HD3 ARG 22 1HD ARG 22 -2.172 -14.739 4.883 177 HE ARG 22 HE ARG 22 -1.669 -13.143 7.295 178 HH11 ARG 22 1HH1 ARG 22 -2.850 -13.352 3.989 179 HH12 ARG 22 2HH1 ARG 22 -3.641 -11.822 4.052 180 HH21 ARG 22 1HH2 ARG 22 -2.695 -11.135 7.366 181 HH22 ARG 22 2HH2 ARG 22 -3.540 -10.536 5.988 182 H ARG 23 H ARG 23 -3.735 -15.697 4.210 183 HA ARG 23 HA ARG 23 -6.203 -17.010 4.298 184 HB2 ARG 23 2HB ARG 23 -5.836 -16.976 6.757 185 HB3 ARG 23 1HB ARG 23 -5.728 -15.220 6.694 186 HG2 ARG 23 2HG ARG 23 -8.032 -15.123 5.838 187 HG3 ARG 23 1HG ARG 23 -8.135 -16.878 5.961 188 HD2 ARG 23 2HD ARG 23 -9.188 -15.925 7.882 189 HD3 ARG 23 1HD ARG 23 -7.673 -16.669 8.392 190 HE ARG 23 HE ARG 23 -7.049 -14.053 7.894 191 HH11 ARG 23 1HH1 ARG 23 -9.304 -15.725 9.996 192 HH12 ARG 23 2HH1 ARG 23 -9.286 -14.490 11.207 193 HH21 ARG 23 1HH2 ARG 23 -7.036 -12.412 9.487 194 HH22 ARG 23 2HH2 ARG 23 -8.001 -12.596 10.917 195 HA PRO 24 HA PRO 24 -6.531 -13.069 2.177 196 HB2 PRO 24 2HB PRO 24 -7.977 -13.944 0.114 197 HB3 PRO 24 1HB PRO 24 -6.256 -14.320 0.262 198 HG2 PRO 24 2HG PRO 24 -8.625 -16.055 0.740 199 HG3 PRO 24 1HG PRO 24 -7.019 -16.488 0.135 200 HD2 PRO 24 2HD PRO 24 -7.966 -16.776 2.784 201 HD3 PRO 24 1HD PRO 24 -6.292 -16.968 2.225 202 H SER 25 H SER 25 -7.850 -12.136 3.846 203 HA SER 25 HA SER 25 -10.663 -11.996 3.118 204 HB2 SER 25 2HB SER 25 -9.691 -12.731 5.889 205 HB3 SER 25 1HB SER 25 -11.337 -12.213 5.529 206 HG SER 25 HG SER 25 -11.703 -14.026 4.422 207 H SER 26 H SER 26 -11.721 -10.101 3.907 208 HA SER 26 HA SER 26 -10.174 -8.163 5.383 209 HB2 SER 26 2HB SER 26 -10.436 -6.410 3.663 210 HB3 SER 26 1HB SER 26 -9.439 -7.750 3.098 211 HG SER 26 HG SER 26 -10.829 -7.397 1.457 212 H TRP 27 H TRP 27 -11.593 -6.015 5.368 213 HA TRP 27 HA TRP 27 -14.096 -6.730 6.545 214 HB2 TRP 27 2HB TRP 27 -14.353 -4.251 6.834 215 HB3 TRP 27 1HB TRP 27 -12.856 -4.896 7.497 216 HD1 TRP 27 HD TRP 27 -10.569 -4.197 6.283 217 HE1 TRP 27 1HE TRP 27 -9.983 -2.269 4.685 218 HE3 TRP 27 3HE TRP 27 -15.302 -2.798 4.929 219 HZ2 TRP 27 2HZ TRP 27 -11.344 -0.403 3.065 220 HZ3 TRP 27 3HZ TRP 27 -15.568 -0.928 3.350 221 HH2 TRP 27 HH TRP 27 -13.631 0.243 2.440 222 H ARG 28 H ARG 28 -13.049 -5.776 3.436 223 HA ARG 28 HA ARG 28 -15.730 -5.010 2.581 224 HB2 ARG 28 2HB ARG 28 -14.573 -4.385 0.449 225 HB3 ARG 28 1HB ARG 28 -14.025 -3.499 1.865 226 HG2 ARG 28 2HG ARG 28 -12.026 -4.790 1.994 227 HG3 ARG 28 1HG ARG 28 -12.606 -5.910 0.760 228 HD2 ARG 28 2HD ARG 28 -11.970 -2.990 0.357 229 HD3 ARG 28 1HD ARG 28 -10.969 -4.349 -0.154 230 HE ARG 28 HE ARG 28 -13.348 -3.350 -1.430 231 HH11 ARG 28 1HH1 ARG 28 -11.219 -6.154 -1.078 232 HH12 ARG 28 2HH1 ARG 28 -11.697 -6.835 -2.596 233 HH21 ARG 28 1HH2 ARG 28 -13.941 -4.270 -3.431 234 HH22 ARG 28 2HH2 ARG 28 -13.224 -5.755 -3.953 235 H GLN 29 H GLN 29 -13.497 -7.639 2.407 236 HA GLN 29 HA GLN 29 -15.365 -9.083 0.679 237 HB2 GLN 29 2HB GLN 29 -13.458 -8.156 -0.668 238 HB3 GLN 29 1HB GLN 29 -12.364 -9.116 0.314 239 HG2 GLN 29 2HG GLN 29 -12.765 -10.215 -1.779 240 HG3 GLN 29 1HG GLN 29 -13.483 -11.154 -0.471 241 HE21 GLN 29 1HE2 GLN 29 -14.866 -12.180 -1.895 242 HE22 GLN 29 2HE2 GLN 29 -16.249 -11.388 -2.568 243 H GLU 30 H GLU 30 -15.990 -10.821 1.804 244 HA GLU 30 HA GLU 30 -14.697 -11.750 4.122 245 HB2 GLU 30 2HB GLU 30 -16.254 -13.696 3.970 246 HB3 GLU 30 1HB GLU 30 -17.053 -12.135 3.858 247 HG2 GLU 30 2HG GLU 30 -17.173 -12.391 1.422 248 HG3 GLU 30 1HG GLU 30 -16.406 -13.968 1.566 249 H LYS 31 H LYS 31 -14.626 -12.952 0.800 250 HA LYS 31 HA LYS 31 -12.170 -14.387 1.488 251 HB2 LYS 31 2HB LYS 31 -13.951 -16.066 1.360 252 HB3 LYS 31 1HB LYS 31 -14.394 -15.491 -0.242 253 HG2 LYS 31 2HG LYS 31 -12.017 -16.067 -0.941 254 HG3 LYS 31 1HG LYS 31 -11.891 -16.927 0.592 255 HD2 LYS 31 2HD LYS 31 -13.963 -17.454 -1.538 256 HD3 LYS 31 1HD LYS 31 -12.501 -18.405 -1.288 257 HE2 LYS 31 2HE LYS 31 -13.273 -18.962 0.976 258 HE3 LYS 31 1HE LYS 31 -14.745 -18.034 0.690 259 HZ1 LYS 31 1HZ LYS 31 -13.884 -20.432 -0.829 260 HZ2 LYS 31 2HZ LYS 31 -15.289 -19.537 -1.118 261 HZ3 LYS 31 3HZ LYS 31 -15.115 -20.383 0.330 262 H ILE 32 H ILE 32 -10.627 -13.477 0.359 263 HA ILE 32 HA ILE 32 -11.213 -12.186 -2.178 264 HB ILE 32 HB ILE 32 -8.579 -12.396 -0.698 265 HG12 ILE 32 2HG1 ILE 32 -10.552 -10.108 -0.737 266 HG13 ILE 32 1HG1 ILE 32 -10.393 -11.254 0.588 267 HG21 ILE 32 1HG2 ILE 32 -9.463 -10.583 -2.936 268 HG22 ILE 32 2HG2 ILE 32 -8.317 -11.918 -3.062 269 HG23 ILE 32 3HG2 ILE 32 -7.914 -10.499 -2.094 270 HD11 ILE 32 1HD1 ILE 32 -8.292 -9.347 -0.389 271 HD12 ILE 32 2HD1 ILE 32 -8.079 -10.522 0.911 272 HD13 ILE 32 3HD1 ILE 32 -9.238 -9.204 1.092 273 H THR 33 H THR 33 -11.155 -13.357 -3.981 274 HA THR 33 HA THR 33 -9.653 -15.869 -3.960 275 HB THR 33 HB THR 33 -11.135 -16.355 -5.995 276 HG1 THR 33 1HG THR 33 -12.244 -14.639 -6.565 277 HG21 THR 33 1HG2 THR 33 -12.380 -15.979 -3.266 278 HG22 THR 33 2HG2 THR 33 -11.472 -17.393 -3.804 279 HG23 THR 33 3HG2 THR 33 -13.021 -17.002 -4.549 280 H ARG 34 H ARG 34 -9.011 -12.857 -4.966 281 HA ARG 34 HA ARG 34 -8.181 -13.372 -7.669 282 HB2 ARG 34 2HB ARG 34 -7.316 -11.140 -7.687 283 HB3 ARG 34 1HB ARG 34 -8.832 -11.096 -6.799 284 HG2 ARG 34 2HG ARG 34 -7.648 -11.030 -4.701 285 HG3 ARG 34 1HG ARG 34 -6.105 -11.215 -5.531 286 HD2 ARG 34 2HD ARG 34 -6.333 -8.923 -4.998 287 HD3 ARG 34 1HD ARG 34 -6.616 -9.075 -6.728 288 HE ARG 34 HE ARG 34 -8.931 -8.715 -6.351 289 HH11 ARG 34 1HH1 ARG 34 -7.000 -8.402 -3.434 290 HH12 ARG 34 2HH1 ARG 34 -8.121 -7.345 -2.640 291 HH21 ARG 34 1HH2 ARG 34 -10.427 -7.329 -5.316 292 HH22 ARG 34 2HH2 ARG 34 -10.053 -6.699 -3.745 293 H THR 35 H THR 35 -6.236 -14.085 -8.386 294 HA THR 35 HA THR 35 -4.305 -14.954 -6.438 295 HB THR 35 HB THR 35 -4.749 -16.385 -8.389 296 HG1 THR 35 1HG THR 35 -2.526 -16.668 -9.034 297 HG21 THR 35 1HG2 THR 35 -5.251 -14.753 -10.079 298 HG22 THR 35 2HG2 THR 35 -3.878 -15.711 -10.626 299 HG23 THR 35 3HG2 THR 35 -3.623 -14.085 -9.989 300 H LYS 36 H LYS 36 -1.871 -14.544 -7.246 301 HA LYS 36 HA LYS 36 -1.305 -11.889 -6.543 302 HB2 LYS 36 2HB LYS 36 0.268 -13.702 -6.130 303 HB3 LYS 36 1HB LYS 36 0.461 -13.969 -7.853 304 HG2 LYS 36 2HG LYS 36 1.126 -11.275 -6.791 305 HG3 LYS 36 1HG LYS 36 2.223 -12.604 -6.421 306 HD2 LYS 36 2HD LYS 36 2.438 -13.092 -8.812 307 HD3 LYS 36 1HD LYS 36 1.328 -11.771 -9.184 308 HE2 LYS 36 2HE LYS 36 2.873 -10.160 -8.280 309 HE3 LYS 36 1HE LYS 36 3.953 -11.442 -7.739 310 HZ1 LYS 36 1HZ LYS 36 3.277 -10.835 -10.564 311 HZ2 LYS 36 2HZ LYS 36 4.321 -12.052 -10.040 312 HZ3 LYS 36 3HZ LYS 36 4.726 -10.432 -9.791 313 H GLU 37 H GLU 37 -1.404 -13.475 -9.690 314 HA GLU 37 HA GLU 37 -0.385 -11.335 -11.193 315 HB2 GLU 37 2HB GLU 37 -2.244 -13.566 -11.993 316 HB3 GLU 37 1HB GLU 37 -1.480 -12.460 -13.123 317 HG2 GLU 37 2HG GLU 37 0.721 -13.235 -12.363 318 HG3 GLU 37 1HG GLU 37 -0.077 -14.386 -11.292 319 H GLU 38 H GLU 38 -3.661 -12.113 -10.163 320 HA GLU 38 HA GLU 38 -4.961 -10.149 -11.731 321 HB2 GLU 38 2HB GLU 38 -5.812 -11.413 -9.124 322 HB3 GLU 38 1HB GLU 38 -6.853 -10.453 -10.164 323 HG2 GLU 38 2HG GLU 38 -5.566 -13.075 -10.862 324 HG3 GLU 38 1HG GLU 38 -7.265 -12.820 -10.466 325 H ALA 39 H ALA 39 -3.683 -10.191 -8.455 326 HA ALA 39 HA ALA 39 -4.558 -7.627 -7.692 327 HB1 ALA 39 1HB ALA 39 -2.936 -7.818 -5.879 328 HB2 ALA 39 2HB ALA 39 -2.177 -9.187 -6.690 329 HB3 ALA 39 3HB ALA 39 -3.828 -9.325 -6.085 330 H LEU 40 H LEU 40 -1.593 -8.774 -9.227 331 HA LEU 40 HA LEU 40 -0.110 -6.409 -9.092 332 HB2 LEU 40 2HB LEU 40 0.655 -8.750 -9.765 333 HB3 LEU 40 1HB LEU 40 0.012 -8.407 -11.353 334 HG LEU 40 HG LEU 40 2.509 -8.148 -11.093 335 HD11 LEU 40 1HD1 LEU 40 0.996 -5.710 -11.995 336 HD12 LEU 40 2HD1 LEU 40 1.342 -7.142 -12.964 337 HD13 LEU 40 3HD1 LEU 40 2.662 -6.108 -12.416 338 HD21 LEU 40 1HD2 LEU 40 2.490 -7.112 -8.871 339 HD22 LEU 40 2HD2 LEU 40 1.742 -5.668 -9.558 340 HD23 LEU 40 3HD2 LEU 40 3.368 -6.137 -10.049 341 H GLU 41 H GLU 41 -2.291 -7.590 -11.647 342 HA GLU 41 HA GLU 41 -1.965 -5.399 -13.380 343 HB2 GLU 41 2HB GLU 41 -4.375 -7.195 -13.065 344 HB3 GLU 41 1HB GLU 41 -4.056 -6.142 -14.435 345 HG2 GLU 41 2HG GLU 41 -2.470 -8.554 -13.591 346 HG3 GLU 41 1HG GLU 41 -3.490 -8.392 -15.019 347 H LEU 42 H LEU 42 -4.140 -5.948 -10.668 348 HA LEU 42 HA LEU 42 -5.719 -3.629 -11.053 349 HB2 LEU 42 2HB LEU 42 -5.118 -5.143 -8.510 350 HB3 LEU 42 1HB LEU 42 -6.360 -3.921 -8.681 351 HG LEU 42 HG LEU 42 -6.292 -6.593 -10.082 352 HD11 LEU 42 1HD1 LEU 42 -8.072 -5.541 -7.891 353 HD12 LEU 42 2HD1 LEU 42 -6.814 -6.765 -7.716 354 HD13 LEU 42 3HD1 LEU 42 -8.238 -7.099 -8.702 355 HD21 LEU 42 1HD2 LEU 42 -7.316 -4.925 -11.513 356 HD22 LEU 42 2HD2 LEU 42 -8.338 -4.376 -10.185 357 HD23 LEU 42 3HD2 LEU 42 -8.556 -5.993 -10.854 358 H ILE 43 H ILE 43 -2.893 -4.302 -9.036 359 HA ILE 43 HA ILE 43 -2.585 -1.820 -7.822 360 HB ILE 43 HB ILE 43 -0.516 -3.857 -8.659 361 HG12 ILE 43 2HG1 ILE 43 -2.147 -4.581 -6.956 362 HG13 ILE 43 1HG1 ILE 43 -0.511 -4.491 -6.314 363 HG21 ILE 43 1HG2 ILE 43 -0.104 -1.440 -6.908 364 HG22 ILE 43 2HG2 ILE 43 0.599 -1.711 -8.501 365 HG23 ILE 43 3HG2 ILE 43 1.061 -2.741 -7.146 366 HD11 ILE 43 1HD1 ILE 43 -2.716 -2.484 -5.890 367 HD12 ILE 43 2HD1 ILE 43 -1.064 -2.322 -5.296 368 HD13 ILE 43 3HD1 ILE 43 -2.085 -3.632 -4.708 369 H ASN 44 H ASN 44 -1.122 -3.007 -10.840 370 HA ASN 44 HA ASN 44 0.294 -0.697 -11.519 371 HB2 ASN 44 2HB ASN 44 0.382 -3.021 -12.608 372 HB3 ASN 44 1HB ASN 44 -1.013 -2.510 -13.550 373 HD21 ASN 44 1HD2 ASN 44 1.640 -3.233 -14.441 374 HD22 ASN 44 2HD2 ASN 44 2.263 -1.864 -15.298 375 H GLY 45 H GLY 45 -3.038 -1.634 -12.237 376 HA2 GLY 45 2HA GLY 45 -3.732 0.518 -13.892 377 HA3 GLY 45 1HA GLY 45 -4.857 -0.406 -12.906 378 H TYR 46 H TYR 46 -4.002 0.179 -10.355 379 HA TYR 46 HA TYR 46 -5.186 2.695 -9.903 380 HB2 TYR 46 2HB TYR 46 -3.534 0.929 -8.091 381 HB3 TYR 46 1HB TYR 46 -4.274 2.429 -7.547 382 HD1 TYR 46 1HD TYR 46 -4.667 -0.984 -7.507 383 HD2 TYR 46 2HD TYR 46 -6.904 2.539 -8.319 384 HE1 TYR 46 1HE TYR 46 -6.745 -2.200 -7.015 385 HE2 TYR 46 2HE TYR 46 -8.989 1.335 -7.828 386 HH TYR 46 HH TYR 46 -9.042 -1.709 -6.320 387 H ILE 47 H ILE 47 -1.806 1.657 -9.902 388 HA ILE 47 HA ILE 47 -0.565 3.964 -9.028 389 HB ILE 47 HB ILE 47 0.370 1.971 -11.104 390 HG12 ILE 47 2HG1 ILE 47 1.049 2.289 -8.171 391 HG13 ILE 47 1HG1 ILE 47 -0.031 1.072 -8.844 392 HG21 ILE 47 1HG2 ILE 47 1.965 4.125 -9.720 393 HG22 ILE 47 2HG2 ILE 47 1.597 4.027 -11.442 394 HG23 ILE 47 3HG2 ILE 47 2.644 2.822 -10.695 395 HD11 ILE 47 1HD1 ILE 47 2.912 1.328 -9.420 396 HD12 ILE 47 2HD1 ILE 47 1.833 0.098 -10.077 397 HD13 ILE 47 3HD1 ILE 47 2.161 0.150 -8.345 398 H GLN 48 H GLN 48 -1.484 3.139 -12.356 399 HA GLN 48 HA GLN 48 -0.536 5.611 -13.424 400 HB2 GLN 48 2HB GLN 48 -2.342 3.493 -14.584 401 HB3 GLN 48 1HB GLN 48 -1.775 4.896 -15.481 402 HG2 GLN 48 2HG GLN 48 -0.059 2.726 -14.294 403 HG3 GLN 48 1HG GLN 48 -0.438 2.950 -16.003 404 HE21 GLN 48 1HE2 GLN 48 2.143 2.909 -14.675 405 HE22 GLN 48 2HE2 GLN 48 2.892 4.428 -15.017 406 H LYS 49 H LYS 49 -3.704 4.360 -12.515 407 HA LYS 49 HA LYS 49 -5.286 6.439 -13.515 408 HB2 LYS 49 2HB LYS 49 -5.949 4.133 -12.589 409 HB3 LYS 49 1HB LYS 49 -5.928 4.903 -11.011 410 HG2 LYS 49 2HG LYS 49 -7.665 6.420 -11.670 411 HG3 LYS 49 1HG LYS 49 -7.621 5.813 -13.326 412 HD2 LYS 49 2HD LYS 49 -8.139 3.523 -12.289 413 HD3 LYS 49 1HD LYS 49 -8.570 4.426 -10.839 414 HE2 LYS 49 2HE LYS 49 -10.558 4.002 -12.145 415 HE3 LYS 49 1HE LYS 49 -10.192 5.726 -12.167 416 HZ1 LYS 49 1HZ LYS 49 -9.486 3.820 -14.336 417 HZ2 LYS 49 2HZ LYS 49 -9.258 5.496 -14.361 418 HZ3 LYS 49 3HZ LYS 49 -10.816 4.859 -14.358 419 H ILE 50 H ILE 50 -3.673 6.070 -10.393 420 HA ILE 50 HA ILE 50 -4.810 8.406 -9.241 421 HB ILE 50 HB ILE 50 -2.328 6.857 -8.469 422 HG12 ILE 50 2HG1 ILE 50 -5.117 6.847 -7.291 423 HG13 ILE 50 1HG1 ILE 50 -4.473 5.609 -8.364 424 HG21 ILE 50 1HG2 ILE 50 -3.821 8.981 -6.928 425 HG22 ILE 50 2HG2 ILE 50 -2.205 9.138 -7.616 426 HG23 ILE 50 3HG2 ILE 50 -2.496 7.997 -6.302 427 HD11 ILE 50 1HD1 ILE 50 -4.381 4.853 -6.085 428 HD12 ILE 50 2HD1 ILE 50 -3.488 6.296 -5.610 429 HD13 ILE 50 3HD1 ILE 50 -2.741 5.111 -6.683 430 H LYS 51 H LYS 51 -1.628 7.747 -10.723 431 HA LYS 51 HA LYS 51 -0.677 10.396 -10.324 432 HB2 LYS 51 2HB LYS 51 0.310 8.191 -12.124 433 HB3 LYS 51 1HB LYS 51 1.124 9.741 -11.958 434 HG2 LYS 51 2HG LYS 51 1.295 9.291 -9.504 435 HG3 LYS 51 1HG LYS 51 0.684 7.669 -9.824 436 HD2 LYS 51 2HD LYS 51 3.175 8.856 -11.051 437 HD3 LYS 51 1HD LYS 51 3.154 7.771 -9.662 438 HE2 LYS 51 2HE LYS 51 2.085 6.047 -11.064 439 HE3 LYS 51 1HE LYS 51 2.186 7.133 -12.447 440 HZ1 LYS 51 1HZ LYS 51 4.484 6.051 -10.912 441 HZ2 LYS 51 2HZ LYS 51 4.605 7.127 -12.202 442 HZ3 LYS 51 3HZ LYS 51 4.012 5.568 -12.461 443 H SER 52 H SER 52 -2.745 9.049 -12.683 444 HA SER 52 HA SER 52 -2.232 11.020 -14.701 445 HB2 SER 52 2HB SER 52 -3.164 8.771 -15.226 446 HB3 SER 52 1HB SER 52 -4.636 9.205 -14.363 447 HG SER 52 HG SER 52 -4.596 11.099 -15.935 448 H GLY 53 H GLY 53 -3.856 11.013 -11.740 449 HA2 GLY 53 2HA GLY 53 -4.846 12.848 -10.712 450 HA3 GLY 53 1HA GLY 53 -4.938 13.651 -12.274 451 H GLU 54 H GLU 54 -6.089 10.407 -11.746 452 HA GLU 54 HA GLU 54 -8.778 11.306 -12.441 453 HB2 GLU 54 2HB GLU 54 -7.609 8.524 -12.291 454 HB3 GLU 54 1HB GLU 54 -9.236 8.912 -12.827 455 HG2 GLU 54 2HG GLU 54 -6.707 9.846 -14.161 456 HG3 GLU 54 1HG GLU 54 -7.687 8.476 -14.682 457 H GLU 55 H GLU 55 -7.493 8.791 -10.282 458 HA GLU 55 HA GLU 55 -9.730 9.295 -8.458 459 HB2 GLU 55 2HB GLU 55 -7.819 6.971 -8.678 460 HB3 GLU 55 1HB GLU 55 -9.074 7.109 -7.455 461 HG2 GLU 55 2HG GLU 55 -9.549 7.019 -10.425 462 HG3 GLU 55 1HG GLU 55 -9.705 5.651 -9.325 463 H ASP 56 H ASP 56 -9.106 8.763 -6.083 464 HA ASP 56 HA ASP 56 -6.668 10.274 -5.421 465 HB2 ASP 56 2HB ASP 56 -8.619 11.495 -4.700 466 HB3 ASP 56 1HB ASP 56 -9.301 10.058 -3.948 467 H PHE 57 H PHE 57 -5.152 9.262 -4.310 468 HA PHE 57 HA PHE 57 -5.092 6.519 -3.951 469 HB2 PHE 57 2HB PHE 57 -3.109 8.009 -4.040 470 HB3 PHE 57 1HB PHE 57 -3.493 8.581 -2.423 471 HD1 PHE 57 1HD PHE 57 -3.304 7.026 -0.495 472 HD2 PHE 57 2HD PHE 57 -1.983 5.966 -4.395 473 HE1 PHE 57 1HE PHE 57 -1.957 5.207 0.455 474 HE2 PHE 57 2HE PHE 57 -0.641 4.148 -3.449 475 HZ PHE 57 HZ PHE 57 -0.626 3.765 -1.023 476 H GLU 58 H GLU 58 -5.543 8.990 -1.422 477 HA GLU 58 HA GLU 58 -5.847 7.201 0.713 478 HB2 GLU 58 2HB GLU 58 -6.962 9.983 0.418 479 HB3 GLU 58 1HB GLU 58 -6.810 9.100 1.930 480 HG2 GLU 58 2HG GLU 58 -4.383 9.070 1.668 481 HG3 GLU 58 1HG GLU 58 -4.538 9.959 0.153 482 H SER 59 H SER 59 -8.247 8.636 -1.454 483 HA SER 59 HA SER 59 -10.497 7.622 -0.102 484 HB2 SER 59 2HB SER 59 -10.517 9.439 -1.862 485 HB3 SER 59 1HB SER 59 -10.321 8.171 -3.071 486 HG SER 59 HG SER 59 -12.483 8.454 -2.921 487 H LEU 60 H LEU 60 -8.552 6.326 -2.764 488 HA LEU 60 HA LEU 60 -10.098 4.004 -3.172 489 HB2 LEU 60 2HB LEU 60 -7.161 4.464 -3.681 490 HB3 LEU 60 1HB LEU 60 -8.077 3.098 -4.280 491 HG LEU 60 HG LEU 60 -8.516 5.987 -5.037 492 HD11 LEU 60 1HD1 LEU 60 -7.334 3.678 -6.563 493 HD12 LEU 60 2HD1 LEU 60 -6.477 5.105 -5.978 494 HD13 LEU 60 3HD1 LEU 60 -7.702 5.265 -7.235 495 HD21 LEU 60 1HD2 LEU 60 -10.609 4.757 -5.073 496 HD22 LEU 60 2HD2 LEU 60 -9.860 3.468 -6.015 497 HD23 LEU 60 3HD2 LEU 60 -10.061 5.073 -6.720 498 H ALA 61 H ALA 61 -7.597 4.804 -0.889 499 HA ALA 61 HA ALA 61 -7.004 2.180 -0.035 500 HB1 ALA 61 1HB ALA 61 -5.971 3.233 1.898 501 HB2 ALA 61 2HB ALA 61 -6.764 4.759 1.507 502 HB3 ALA 61 3HB ALA 61 -5.545 4.094 0.419 503 H SER 62 H SER 62 -9.290 4.596 1.188 504 HA SER 62 HA SER 62 -10.191 2.832 3.280 505 HB2 SER 62 2HB SER 62 -11.345 5.465 2.358 506 HB3 SER 62 1HB SER 62 -11.695 4.639 3.877 507 HG SER 62 HG SER 62 -9.226 4.777 4.060 508 H GLN 63 H GLN 63 -10.690 2.519 0.134 509 HA GLN 63 HA GLN 63 -13.480 1.653 0.495 510 HB2 GLN 63 2HB GLN 63 -12.354 3.113 -1.888 511 HB3 GLN 63 1HB GLN 63 -13.927 2.332 -1.869 512 HG2 GLN 63 2HG GLN 63 -14.687 3.822 -0.126 513 HG3 GLN 63 1HG GLN 63 -13.088 4.554 -0.019 514 HE21 GLN 63 1HE2 GLN 63 -12.712 4.508 -2.916 515 HE22 GLN 63 2HE2 GLN 63 -13.693 5.782 -3.543 516 H PHE 64 H PHE 64 -10.606 1.320 -1.582 517 HA PHE 64 HA PHE 64 -11.627 -1.284 -2.434 518 HB2 PHE 64 2HB PHE 64 -9.515 0.499 -3.634 519 HB3 PHE 64 1HB PHE 64 -9.866 -1.124 -4.214 520 HD1 PHE 64 1HD PHE 64 -11.073 2.317 -3.991 521 HD2 PHE 64 2HD PHE 64 -11.920 -1.607 -5.396 522 HE1 PHE 64 1HE PHE 64 -12.863 3.220 -5.416 523 HE2 PHE 64 2HE PHE 64 -13.713 -0.712 -6.825 524 HZ PHE 64 HZ PHE 64 -14.186 1.704 -6.836 525 H SER 65 H SER 65 -9.045 0.126 -0.568 526 HA SER 65 HA SER 65 -7.296 -2.092 -0.738 527 HB2 SER 65 2HB SER 65 -7.547 0.059 1.359 528 HB3 SER 65 1HB SER 65 -6.290 -1.178 1.376 529 HG SER 65 HG SER 65 -6.750 0.478 -0.864 530 H ASP 66 H ASP 66 -7.133 -3.906 0.365 531 HA ASP 66 HA ASP 66 -9.423 -4.767 1.927 532 HB2 ASP 66 2HB ASP 66 -6.969 -6.191 0.900 533 HB3 ASP 66 1HB ASP 66 -8.178 -6.980 1.899 534 H CYS 67 H CYS 67 -7.311 -2.834 2.893 535 HA CYS 67 HA CYS 67 -6.178 -4.294 5.152 536 HB2 CYS 67 2HB CYS 67 -4.673 -2.850 3.844 537 HB3 CYS 67 1HB CYS 67 -5.702 -1.473 4.187 538 HG CYS 67 HG CYS 67 -3.909 -3.225 6.521 539 H SER 68 H SER 68 -6.866 -4.007 7.201 540 HA SER 68 HA SER 68 -9.285 -2.598 7.701 541 HB2 SER 68 2HB SER 68 -8.704 -3.256 10.112 542 HB3 SER 68 1HB SER 68 -8.929 -4.572 8.956 543 HG SER 68 HG SER 68 -6.933 -4.418 10.438 544 H SER 69 H SER 69 -5.882 -1.951 8.166 545 HA SER 69 HA SER 69 -6.185 0.329 9.837 546 HB2 SER 69 2HB SER 69 -3.842 -0.253 8.021 547 HB3 SER 69 1HB SER 69 -3.837 0.630 9.547 548 HG SER 69 HG SER 69 -3.210 -1.286 10.243 549 H ALA 70 H ALA 70 -6.492 -0.232 6.472 550 HA ALA 70 HA ALA 70 -5.879 2.342 5.479 551 HB1 ALA 70 1HB ALA 70 -7.094 1.624 3.455 552 HB2 ALA 70 2HB ALA 70 -7.609 0.170 4.313 553 HB3 ALA 70 3HB ALA 70 -5.896 0.454 4.000 554 H LYS 71 H LYS 71 -8.546 1.180 7.242 555 HA LYS 71 HA LYS 71 -10.666 2.694 6.295 556 HB2 LYS 71 2HB LYS 71 -10.021 1.879 9.125 557 HB3 LYS 71 1HB LYS 71 -11.560 2.561 8.626 558 HG2 LYS 71 2HG LYS 71 -10.376 -0.017 7.611 559 HG3 LYS 71 1HG LYS 71 -11.641 0.124 8.830 560 HD2 LYS 71 2HD LYS 71 -11.854 1.107 5.982 561 HD3 LYS 71 1HD LYS 71 -12.525 -0.406 6.584 562 HE2 LYS 71 2HE LYS 71 -13.259 2.353 7.561 563 HE3 LYS 71 1HE LYS 71 -14.215 1.369 6.460 564 HZ1 LYS 71 1HZ LYS 71 -13.592 0.784 9.304 565 HZ2 LYS 71 2HZ LYS 71 -14.307 -0.330 8.258 566 HZ3 LYS 71 3HZ LYS 71 -15.112 1.105 8.628 567 H ALA 72 H ALA 72 -7.983 3.649 8.344 568 HA ALA 72 HA ALA 72 -9.107 6.266 8.845 569 HB1 ALA 72 1HB ALA 72 -7.025 6.697 10.054 570 HB2 ALA 72 2HB ALA 72 -6.365 5.168 9.475 571 HB3 ALA 72 3HB ALA 72 -7.751 5.174 10.566 572 H ARG 73 H ARG 73 -9.333 6.510 6.459 573 HA ARG 73 HA ARG 73 -8.808 7.355 4.434 574 HB2 ARG 73 2HB ARG 73 -7.732 9.503 4.398 575 HB3 ARG 73 1HB ARG 73 -8.717 9.389 5.842 576 HG2 ARG 73 2HG ARG 73 -6.713 8.983 7.181 577 HG3 ARG 73 1HG ARG 73 -5.725 9.066 5.720 578 HD2 ARG 73 2HD ARG 73 -7.441 11.290 6.811 579 HD3 ARG 73 1HD ARG 73 -5.690 11.179 6.970 580 HE ARG 73 HE ARG 73 -5.737 11.194 4.408 581 HH11 ARG 73 1HH1 ARG 73 -8.052 12.923 6.418 582 HH12 ARG 73 2HH1 ARG 73 -8.360 14.134 5.223 583 HH21 ARG 73 1HH2 ARG 73 -6.147 12.785 2.846 584 HH22 ARG 73 2HH2 ARG 73 -7.283 14.055 3.169 585 H GLY 74 H GLY 74 -6.951 5.189 5.464 586 HA2 GLY 74 2HA GLY 74 -5.296 3.948 4.425 587 HA3 GLY 74 1HA GLY 74 -5.262 5.153 3.150 588 H ASP 75 H ASP 75 -4.916 6.677 6.062 589 HA ASP 75 HA ASP 75 -2.068 7.057 5.571 590 HB2 ASP 75 2HB ASP 75 -3.247 9.103 5.690 591 HB3 ASP 75 1HB ASP 75 -4.133 8.600 7.124 592 H LEU 76 H LEU 76 -0.505 6.831 7.136 593 HA LEU 76 HA LEU 76 -1.290 5.217 9.469 594 HB2 LEU 76 2HB LEU 76 1.296 5.238 7.917 595 HB3 LEU 76 1HB LEU 76 1.043 4.343 9.402 596 HG LEU 76 HG LEU 76 -0.510 3.884 6.854 597 HD11 LEU 76 1HD1 LEU 76 1.773 2.301 8.025 598 HD12 LEU 76 2HD1 LEU 76 1.850 3.306 6.578 599 HD13 LEU 76 3HD1 LEU 76 0.827 1.869 6.601 600 HD21 LEU 76 1HD2 LEU 76 -1.225 1.825 7.976 601 HD22 LEU 76 2HD2 LEU 76 -1.735 3.259 8.866 602 HD23 LEU 76 3HD2 LEU 76 -0.353 2.316 9.428 603 H GLY 77 H GLY 77 -0.335 8.249 8.589 604 HA2 GLY 77 2HA GLY 77 0.281 10.036 9.907 605 HA3 GLY 77 1HA GLY 77 0.394 8.943 11.282 606 H ALA 78 H ALA 78 2.328 10.350 11.677 607 HA ALA 78 HA ALA 78 4.612 9.785 9.989 608 HB1 ALA 78 1HB ALA 78 5.844 11.258 11.502 609 HB2 ALA 78 2HB ALA 78 4.441 11.349 12.566 610 HB3 ALA 78 3HB ALA 78 4.360 12.026 10.939 611 H PHE 79 H PHE 79 5.867 8.111 10.262 612 HA PHE 79 HA PHE 79 6.108 6.904 12.924 613 HB2 PHE 79 2HB PHE 79 6.023 4.647 11.820 614 HB3 PHE 79 1HB PHE 79 4.496 5.520 11.804 615 HD1 PHE 79 1HD PHE 79 7.321 4.364 9.751 616 HD2 PHE 79 2HD PHE 79 3.505 6.247 9.746 617 HE1 PHE 79 1HE PHE 79 7.185 4.080 7.310 618 HE2 PHE 79 2HE PHE 79 3.366 5.967 7.308 619 HZ PHE 79 HZ PHE 79 5.208 4.883 6.088 620 H SER 80 H SER 80 8.020 5.532 13.139 621 HA SER 80 HA SER 80 10.192 6.532 11.493 622 HB2 SER 80 2HB SER 80 11.656 5.483 13.227 623 HB3 SER 80 1HB SER 80 10.570 6.708 13.878 624 HG SER 80 HG SER 80 10.673 3.990 14.337 625 H ARG 81 H ARG 81 11.982 4.791 11.194 626 HA ARG 81 HA ARG 81 11.131 3.067 9.199 627 HB2 ARG 81 2HB ARG 81 13.611 2.768 10.886 628 HB3 ARG 81 1HB ARG 81 13.359 2.101 9.280 629 HG2 ARG 81 2HG ARG 81 13.329 4.300 8.315 630 HG3 ARG 81 1HG ARG 81 13.390 5.043 9.914 631 HD2 ARG 81 2HD ARG 81 15.586 5.133 9.015 632 HD3 ARG 81 1HD ARG 81 15.586 3.893 10.265 633 HE ARG 81 HE ARG 81 15.584 3.388 7.352 634 HH11 ARG 81 1HH1 ARG 81 16.226 2.298 10.636 635 HH12 ARG 81 2HH1 ARG 81 17.117 0.910 10.133 636 HH21 ARG 81 1HH2 ARG 81 16.770 1.556 6.694 637 HH22 ARG 81 2HH2 ARG 81 17.443 0.492 7.876 638 H GLY 82 H GLY 82 12.057 2.193 12.524 639 HA2 GLY 82 2HA GLY 82 11.427 -0.577 12.115 640 HA3 GLY 82 1HA GLY 82 11.911 0.170 13.624 641 H GLN 83 H GLN 83 9.158 1.492 11.946 642 HA GLN 83 HA GLN 83 7.441 0.278 14.004 643 HB2 GLN 83 2HB GLN 83 7.002 2.767 12.353 644 HB3 GLN 83 1HB GLN 83 5.818 2.090 13.460 645 HG2 GLN 83 2HG GLN 83 7.458 2.399 15.300 646 HG3 GLN 83 1HG GLN 83 8.516 3.222 14.156 647 HE21 GLN 83 1HE2 GLN 83 5.018 3.483 14.204 648 HE22 GLN 83 2HE2 GLN 83 4.965 5.146 14.667 649 H MET 84 H MET 84 8.187 0.087 10.734 650 HA MET 84 HA MET 84 5.623 -1.266 10.201 651 HB2 MET 84 2HB MET 84 7.202 0.416 8.244 652 HB3 MET 84 1HB MET 84 5.747 -0.495 7.864 653 HG2 MET 84 2HG MET 84 5.938 1.814 9.784 654 HG3 MET 84 1HG MET 84 5.264 1.866 8.156 655 HE1 MET 84 1HE MET 84 3.171 3.050 9.431 656 HE2 MET 84 2HE MET 84 3.842 2.731 11.031 657 HE3 MET 84 3HE MET 84 2.194 2.231 10.650 658 H GLN 85 H GLN 85 5.941 -2.582 8.013 659 HA GLN 85 HA GLN 85 7.786 -4.643 8.597 660 HB2 GLN 85 2HB GLN 85 6.369 -4.092 5.980 661 HB3 GLN 85 1HB GLN 85 7.152 -5.595 6.424 662 HG2 GLN 85 2HG GLN 85 4.938 -6.085 6.784 663 HG3 GLN 85 1HG GLN 85 5.453 -5.593 8.394 664 HE21 GLN 85 1HE2 GLN 85 4.616 -3.735 9.284 665 HE22 GLN 85 2HE2 GLN 85 3.328 -2.836 8.553 666 H LYS 86 H LYS 86 9.640 -5.328 7.369 667 HA LYS 86 HA LYS 86 11.421 -3.255 6.796 668 HB2 LYS 86 2HB LYS 86 12.230 -5.443 7.480 669 HB3 LYS 86 1HB LYS 86 11.611 -6.168 6.003 670 HG2 LYS 86 2HG LYS 86 14.012 -5.860 5.861 671 HG3 LYS 86 1HG LYS 86 13.188 -4.830 4.689 672 HD2 LYS 86 2HD LYS 86 13.372 -2.953 6.356 673 HD3 LYS 86 1HD LYS 86 14.398 -4.010 7.327 674 HE2 LYS 86 2HE LYS 86 15.967 -4.197 5.463 675 HE3 LYS 86 1HE LYS 86 14.935 -3.153 4.486 676 HZ1 LYS 86 1HZ LYS 86 15.262 -1.433 6.273 677 HZ2 LYS 86 2HZ LYS 86 16.630 -1.800 5.348 678 HZ3 LYS 86 3HZ LYS 86 16.476 -2.429 6.907 679 HA PRO 87 HA PRO 87 10.720 -4.235 2.006 680 HB2 PRO 87 2HB PRO 87 8.077 -4.986 1.535 681 HB3 PRO 87 1HB PRO 87 9.464 -6.080 1.500 682 HG2 PRO 87 2HG PRO 87 7.500 -5.579 3.698 683 HG3 PRO 87 1HG PRO 87 8.234 -7.105 3.176 684 HD2 PRO 87 2HD PRO 87 9.086 -5.848 5.371 685 HD3 PRO 87 1HD PRO 87 10.230 -6.665 4.283 686 H PHE 88 H PHE 88 8.129 -3.227 4.157 687 HA PHE 88 HA PHE 88 7.099 -1.175 2.458 688 HB2 PHE 88 2HB PHE 88 5.827 -2.326 4.317 689 HB3 PHE 88 1HB PHE 88 6.817 -1.436 5.464 690 HD1 PHE 88 1HD PHE 88 4.057 -1.276 3.108 691 HD2 PHE 88 2HD PHE 88 6.536 0.988 5.721 692 HE1 PHE 88 1HE PHE 88 2.448 0.581 3.021 693 HE2 PHE 88 2HE PHE 88 4.932 2.848 5.638 694 HZ PHE 88 HZ PHE 88 2.883 2.647 4.288 695 H GLU 89 H GLU 89 9.257 -1.301 5.241 696 HA GLU 89 HA GLU 89 9.803 1.393 5.623 697 HB2 GLU 89 2HB GLU 89 10.488 -0.291 7.209 698 HB3 GLU 89 1HB GLU 89 11.536 -1.046 6.019 699 HG2 GLU 89 2HG GLU 89 12.833 1.132 5.995 700 HG3 GLU 89 1HG GLU 89 11.909 1.574 7.431 701 H ASP 90 H ASP 90 11.513 -0.970 3.598 702 HA ASP 90 HA ASP 90 13.566 0.689 2.718 703 HB2 ASP 90 2HB ASP 90 13.619 -1.719 2.370 704 HB3 ASP 90 1HB ASP 90 12.269 -1.602 1.244 705 H ALA 91 H ALA 91 10.368 0.181 1.330 706 HA ALA 91 HA ALA 91 10.885 1.887 -0.910 707 HB1 ALA 91 1HB ALA 91 8.503 1.587 -1.409 708 HB2 ALA 91 2HB ALA 91 8.302 0.756 0.136 709 HB3 ALA 91 3HB ALA 91 9.327 0.056 -1.115 710 H ALA 92 H ALA 92 8.904 2.236 2.043 711 HA ALA 92 HA ALA 92 7.879 4.778 1.439 712 HB1 ALA 92 1HB ALA 92 7.246 4.915 3.776 713 HB2 ALA 92 2HB ALA 92 8.344 3.594 4.174 714 HB3 ALA 92 3HB ALA 92 6.936 3.293 3.156 715 H PHE 93 H PHE 93 10.835 3.842 3.102 716 HA PHE 93 HA PHE 93 11.447 6.637 3.644 717 HB2 PHE 93 2HB PHE 93 12.837 4.081 4.460 718 HB3 PHE 93 1HB PHE 93 13.411 5.692 4.879 719 HD1 PHE 93 1HD PHE 93 10.669 3.276 5.356 720 HD2 PHE 93 2HD PHE 93 12.423 6.924 6.641 721 HE1 PHE 93 1HE PHE 93 9.200 3.282 7.323 722 HE2 PHE 93 2HE PHE 93 10.958 6.941 8.610 723 HZ PHE 93 HZ PHE 93 9.342 5.118 8.953 724 H ALA 94 H ALA 94 11.423 5.515 0.921 725 HA ALA 94 HA ALA 94 14.168 6.292 0.191 726 HB1 ALA 94 1HB ALA 94 14.080 4.776 -1.711 727 HB2 ALA 94 2HB ALA 94 12.464 4.254 -1.233 728 HB3 ALA 94 3HB ALA 94 13.848 3.897 -0.199 729 H LEU 95 H LEU 95 10.753 6.346 -0.616 730 HA LEU 95 HA LEU 95 11.099 8.042 -2.913 731 HB2 LEU 95 2HB LEU 95 8.708 7.051 -1.384 732 HB3 LEU 95 1HB LEU 95 8.533 8.305 -2.589 733 HG LEU 95 HG LEU 95 7.927 6.168 -3.537 734 HD11 LEU 95 1HD1 LEU 95 10.588 7.035 -4.628 735 HD12 LEU 95 2HD1 LEU 95 9.037 7.792 -4.984 736 HD13 LEU 95 3HD1 LEU 95 9.340 6.127 -5.482 737 HD21 LEU 95 1HD2 LEU 95 9.221 4.705 -2.079 738 HD22 LEU 95 2HD2 LEU 95 10.713 5.255 -2.841 739 HD23 LEU 95 3HD2 LEU 95 9.527 4.344 -3.777 740 H ARG 96 H ARG 96 10.455 10.227 -3.090 741 HA ARG 96 HA ARG 96 10.975 11.772 -0.682 742 HB2 ARG 96 2HB ARG 96 10.351 12.713 -3.485 743 HB3 ARG 96 1HB ARG 96 10.980 13.699 -2.176 744 HG2 ARG 96 2HG ARG 96 13.061 12.530 -2.207 745 HG3 ARG 96 1HG ARG 96 12.429 11.344 -3.355 746 HD2 ARG 96 2HD ARG 96 12.065 13.236 -4.956 747 HD3 ARG 96 1HD ARG 96 12.938 14.272 -3.830 748 HE ARG 96 HE ARG 96 14.864 12.779 -4.154 749 HH11 ARG 96 1HH1 ARG 96 12.325 12.811 -6.590 750 HH12 ARG 96 2HH1 ARG 96 13.362 12.251 -7.854 751 HH21 ARG 96 1HH2 ARG 96 16.237 12.050 -5.870 752 HH22 ARG 96 2HH2 ARG 96 15.566 11.819 -7.449 753 H THR 97 H THR 97 9.567 13.699 -0.227 754 HA THR 97 HA THR 97 6.936 12.915 0.312 755 HB THR 97 HB THR 97 8.020 15.739 0.157 756 HG1 THR 97 1HG THR 97 7.751 14.179 2.519 757 HG21 THR 97 1HG2 THR 97 5.661 14.586 1.656 758 HG22 THR 97 2HG2 THR 97 5.573 15.653 0.255 759 HG23 THR 97 3HG2 THR 97 6.237 16.248 1.777 760 H GLY 98 H GLY 98 5.361 12.587 -1.109 761 HA2 GLY 98 2HA GLY 98 3.780 13.642 -2.616 762 HA3 GLY 98 1HA GLY 98 5.140 14.456 -3.377 763 H GLU 99 H GLU 99 6.634 11.771 -3.072 764 HA GLU 99 HA GLU 99 5.836 10.808 -5.676 765 HB2 GLU 99 2HB GLU 99 8.048 9.894 -3.840 766 HB3 GLU 99 1HB GLU 99 7.761 9.265 -5.454 767 HG2 GLU 99 2HG GLU 99 8.096 11.600 -6.306 768 HG3 GLU 99 1HG GLU 99 8.626 12.033 -4.681 769 H MET 100 H MET 100 5.510 8.532 -6.104 770 HA MET 100 HA MET 100 4.288 7.106 -3.849 771 HB2 MET 100 2HB MET 100 2.587 8.151 -5.355 772 HB3 MET 100 1HB MET 100 3.213 7.169 -6.669 773 HG2 MET 100 2HG MET 100 2.597 5.143 -5.456 774 HG3 MET 100 1HG MET 100 1.980 6.125 -4.129 775 HE1 MET 100 1HE MET 100 1.468 4.897 -7.783 776 HE2 MET 100 2HE MET 100 1.691 6.627 -8.043 777 HE3 MET 100 3HE MET 100 0.119 5.886 -8.340 778 H SER 101 H SER 101 5.107 5.177 -3.565 779 HA SER 101 HA SER 101 7.042 4.084 -5.370 780 HB2 SER 101 2HB SER 101 7.242 3.854 -2.908 781 HB3 SER 101 1HB SER 101 5.780 2.869 -2.894 782 HG SER 101 HG SER 101 6.833 1.239 -3.830 783 H GLY 102 H GLY 102 6.898 1.985 -6.352 784 HA2 GLY 102 2HA GLY 102 4.304 1.535 -7.516 785 HA3 GLY 102 1HA GLY 102 5.799 0.715 -7.936 786 HA PRO 103 HA PRO 103 3.260 -2.405 -5.814 787 HB2 PRO 103 2HB PRO 103 4.290 -4.544 -7.119 788 HB3 PRO 103 1HB PRO 103 3.022 -3.519 -7.803 789 HG2 PRO 103 2HG PRO 103 5.962 -3.508 -8.339 790 HG3 PRO 103 1HG PRO 103 4.616 -3.330 -9.478 791 HD2 PRO 103 2HD PRO 103 6.070 -1.228 -8.537 792 HD3 PRO 103 1HD PRO 103 4.369 -1.091 -9.023 793 H VAL 104 H VAL 104 4.147 -2.282 -3.779 794 HA VAL 104 HA VAL 104 6.679 -3.662 -3.286 795 HB VAL 104 HB VAL 104 4.872 -2.206 -1.332 796 HG11 VAL 104 1HG1 VAL 104 7.707 -3.192 -1.030 797 HG12 VAL 104 2HG1 VAL 104 6.279 -3.877 -0.255 798 HG13 VAL 104 3HG1 VAL 104 6.815 -2.250 0.164 799 HG21 VAL 104 1HG2 VAL 104 5.761 -0.670 -3.000 800 HG22 VAL 104 2HG2 VAL 104 7.395 -1.258 -2.688 801 HG23 VAL 104 3HG2 VAL 104 6.516 -0.389 -1.431 802 H PHE 105 H PHE 105 6.441 -5.794 -3.203 803 HA PHE 105 HA PHE 105 3.936 -7.025 -2.617 804 HB2 PHE 105 2HB PHE 105 6.662 -8.262 -3.024 805 HB3 PHE 105 1HB PHE 105 5.137 -9.140 -2.991 806 HD1 PHE 105 1HD PHE 105 7.318 -6.974 -4.937 807 HD2 PHE 105 2HD PHE 105 3.528 -8.901 -4.812 808 HE1 PHE 105 1HE PHE 105 7.036 -6.568 -7.346 809 HE2 PHE 105 2HE PHE 105 3.242 -8.498 -7.218 810 HZ PHE 105 HZ PHE 105 4.996 -7.332 -8.489 811 H THR 106 H THR 106 3.275 -8.167 -0.890 812 HA THR 106 HA THR 106 5.022 -8.590 1.382 813 HB THR 106 HB THR 106 2.458 -6.994 1.733 814 HG1 THR 106 1HG THR 106 4.899 -6.175 0.891 815 HG21 THR 106 1HG2 THR 106 4.788 -7.514 3.591 816 HG22 THR 106 2HG2 THR 106 3.199 -8.269 3.703 817 HG23 THR 106 3HG2 THR 106 3.372 -6.535 3.969 818 H ASP 107 H ASP 107 3.855 -9.898 3.075 819 HA ASP 107 HA ASP 107 2.769 -12.211 2.058 820 HB2 ASP 107 2HB ASP 107 2.509 -11.050 4.823 821 HB3 ASP 107 1HB ASP 107 1.990 -12.678 4.402 822 H SER 108 H SER 108 0.899 -9.609 3.648 823 HA SER 108 HA SER 108 -1.601 -10.815 3.185 824 HB2 SER 108 2HB SER 108 -0.915 -7.897 3.577 825 HB3 SER 108 1HB SER 108 -2.546 -8.564 3.625 826 HG SER 108 HG SER 108 -0.683 -8.498 5.557 827 H GLY 109 H GLY 109 0.113 -8.272 1.382 828 HA2 GLY 109 2HA GLY 109 -0.806 -9.159 -1.111 829 HA3 GLY 109 1HA GLY 109 -1.838 -7.851 -0.554 830 H ILE 110 H ILE 110 -0.933 -6.942 -2.583 831 HA ILE 110 HA ILE 110 1.796 -6.002 -2.420 832 HB ILE 110 HB ILE 110 -0.321 -5.306 -4.466 833 HG12 ILE 110 2HG1 ILE 110 1.803 -7.462 -4.585 834 HG13 ILE 110 1HG1 ILE 110 0.087 -7.752 -4.326 835 HG21 ILE 110 1HG2 ILE 110 2.692 -5.097 -4.534 836 HG22 ILE 110 2HG2 ILE 110 1.555 -3.752 -4.432 837 HG23 ILE 110 3HG2 ILE 110 1.615 -4.748 -5.887 838 HD11 ILE 110 1HD1 ILE 110 1.325 -6.544 -6.790 839 HD12 ILE 110 2HD1 ILE 110 -0.396 -6.841 -6.538 840 HD13 ILE 110 3HD1 ILE 110 0.730 -8.196 -6.624 841 H HIS 111 H HIS 111 2.429 -3.990 -1.891 842 HA HIS 111 HA HIS 111 0.345 -2.175 -0.888 843 HB2 HIS 111 2HB HIS 111 3.233 -2.503 -0.072 844 HB3 HIS 111 1HB HIS 111 2.204 -1.196 0.490 845 HD1 HIS 111 1HD HIS 111 3.551 -3.439 2.286 846 HD2 HIS 111 2HD HIS 111 -0.386 -3.346 1.012 847 HE1 HIS 111 1HE HIS 111 2.273 -4.746 3.995 848 HE2 HIS 111 2HE HIS 111 -0.122 -4.454 3.345 849 H ILE 112 H ILE 112 0.099 -0.283 -1.825 850 HA ILE 112 HA ILE 112 2.286 0.807 -3.468 851 HB ILE 112 HB ILE 112 -0.559 1.855 -3.310 852 HG12 ILE 112 2HG1 ILE 112 0.594 -0.039 -5.372 853 HG13 ILE 112 1HG1 ILE 112 -0.581 -0.477 -4.136 854 HG21 ILE 112 1HG2 ILE 112 1.607 2.245 -5.375 855 HG22 ILE 112 2HG2 ILE 112 1.152 3.412 -4.136 856 HG23 ILE 112 3HG2 ILE 112 0.002 2.977 -5.401 857 HD11 ILE 112 1HD1 ILE 112 -1.015 1.482 -6.384 858 HD12 ILE 112 2HD1 ILE 112 -2.192 1.074 -5.136 859 HD13 ILE 112 3HD1 ILE 112 -1.662 -0.155 -6.282 860 H ILE 113 H ILE 113 3.321 2.627 -2.711 861 HA ILE 113 HA ILE 113 2.302 3.652 -0.140 862 HB ILE 113 HB ILE 113 5.202 3.433 -0.960 863 HG12 ILE 113 2HG1 ILE 113 3.640 1.783 1.043 864 HG13 ILE 113 1HG1 ILE 113 4.111 1.231 -0.562 865 HG21 ILE 113 1HG2 ILE 113 4.769 5.288 0.563 866 HG22 ILE 113 2HG2 ILE 113 5.659 4.005 1.383 867 HG23 ILE 113 3HG2 ILE 113 3.930 4.200 1.669 868 HD11 ILE 113 1HD1 ILE 113 5.971 1.986 1.678 869 HD12 ILE 113 2HD1 ILE 113 6.462 1.479 0.062 870 HD13 ILE 113 3HD1 ILE 113 5.606 0.354 1.117 871 H LEU 114 H LEU 114 1.671 5.665 -0.214 872 HA LEU 114 HA LEU 114 3.008 7.521 -2.068 873 HB2 LEU 114 2HB LEU 114 0.626 7.310 -2.516 874 HB3 LEU 114 1HB LEU 114 0.250 7.628 -0.835 875 HG LEU 114 HG LEU 114 1.196 9.927 -1.120 876 HD11 LEU 114 1HD1 LEU 114 1.237 9.179 -4.036 877 HD12 LEU 114 2HD1 LEU 114 2.645 9.500 -3.023 878 HD13 LEU 114 3HD1 LEU 114 1.501 10.794 -3.377 879 HD21 LEU 114 1HD2 LEU 114 -1.202 9.536 -1.219 880 HD22 LEU 114 2HD2 LEU 114 -1.086 9.182 -2.943 881 HD23 LEU 114 3HD2 LEU 114 -0.730 10.803 -2.349 882 H ARG 115 H ARG 115 4.481 8.719 -1.041 883 HA ARG 115 HA ARG 115 4.405 9.014 1.805 884 HB2 ARG 115 2HB ARG 115 6.547 8.830 0.646 885 HB3 ARG 115 1HB ARG 115 6.214 10.312 -0.238 886 HG2 ARG 115 2HG ARG 115 6.318 11.607 1.787 887 HG3 ARG 115 1HG ARG 115 6.478 10.143 2.756 888 HD2 ARG 115 2HD ARG 115 8.623 9.673 1.823 889 HD3 ARG 115 1HD ARG 115 8.444 10.953 0.627 890 HE ARG 115 HE ARG 115 8.236 12.139 3.138 891 HH11 ARG 115 1HH1 ARG 115 10.658 10.397 1.268 892 HH12 ARG 115 2HH1 ARG 115 11.995 11.238 1.974 893 HH21 ARG 115 1HH2 ARG 115 10.030 13.228 4.093 894 HH22 ARG 115 2HH2 ARG 115 11.638 12.849 3.587 895 H THR 116 H THR 116 2.951 10.261 2.692 896 HA THR 116 HA THR 116 1.753 12.500 1.413 897 HB THR 116 HB THR 116 1.638 12.001 4.373 898 HG1 THR 116 1HG THR 116 -0.086 10.588 2.645 899 HG21 THR 116 1HG2 THR 116 -0.443 12.803 2.328 900 HG22 THR 116 2HG2 THR 116 0.409 13.907 3.407 901 HG23 THR 116 3HG2 THR 116 -0.689 12.698 4.071 902 H GLU 117 H GLU 117 3.964 12.099 4.164 903 HA GLU 117 HA GLU 117 5.031 14.773 3.684 904 HB2 GLU 117 2HB GLU 117 4.102 13.773 6.390 905 HB3 GLU 117 1HB GLU 117 5.020 15.240 6.120 906 HG2 GLU 117 2HG GLU 117 3.207 16.229 4.912 907 HG3 GLU 117 1HG GLU 117 2.297 14.721 4.957
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