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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 | cing | stage | position | program | type |
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6486 |
1j5i ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 -14.848 4.763 11.514 2 HA ALA 1 HA ALA 1 -14.566 2.957 13.173 3 1HB ALA 1 1HB ALA 1 -17.160 3.242 11.620 4 2HB ALA 1 2HB ALA 1 -17.038 2.297 13.122 5 3HB ALA 1 3HB ALA 1 -16.693 4.043 13.140 6 H ALA 2 H ALA 2 -12.889 1.728 11.614 7 HA ALA 2 HA ALA 2 -13.536 -0.935 11.705 8 1HB ALA 2 1HB ALA 2 -14.652 0.414 9.373 9 2HB ALA 2 2HB ALA 2 -13.495 -0.854 8.896 10 3HB ALA 2 3HB ALA 2 -14.883 -1.260 9.931 11 HA PRO 3 HA PRO 3 -9.338 -1.129 10.661 12 1HB PRO 3 1HB PRO 3 -9.021 -3.488 9.321 13 2HB PRO 3 2HB PRO 3 -9.185 -3.389 11.073 14 1HG PRO 3 1HG PRO 3 -11.150 -4.201 9.027 15 2HG PRO 3 2HG PRO 3 -11.156 -4.555 10.791 16 1HD PRO 3 1HD PRO 3 -12.752 -2.662 9.353 17 2HD PRO 3 2HD PRO 3 -12.679 -2.863 11.108 18 H THR 4 H THR 4 -11.544 -0.720 8.234 19 HA THR 4 HA THR 4 -11.405 0.100 6.174 20 HB THR 4 HB THR 4 -9.882 1.871 5.931 21 HG1 THR 4 1HG THR 4 -7.639 1.511 6.606 22 1HG2 THR 4 1HG2 THR 4 -9.593 2.874 8.013 23 2HG2 THR 4 2HG2 THR 4 -10.706 1.576 8.514 24 3HG2 THR 4 3HG2 THR 4 -8.952 1.386 8.749 25 H ALA 5 H ALA 5 -8.818 0.310 4.596 26 HA ALA 5 HA ALA 5 -9.035 -2.292 3.444 27 1HB ALA 5 1HB ALA 5 -7.976 0.346 2.771 28 2HB ALA 5 2HB ALA 5 -6.846 -0.950 2.308 29 3HB ALA 5 3HB ALA 5 -8.518 -0.967 1.698 30 H THR 6 H THR 6 -7.972 -4.077 4.123 31 HA THR 6 HA THR 6 -5.232 -3.782 5.052 32 HB THR 6 HB THR 6 -6.032 -5.386 7.029 33 HG1 THR 6 1HG THR 6 -8.286 -4.754 7.537 34 1HG2 THR 6 1HG2 THR 6 -5.160 -3.114 7.506 35 2HG2 THR 6 2HG2 THR 6 -6.694 -2.393 6.962 36 3HG2 THR 6 3HG2 THR 6 -6.652 -3.385 8.439 37 H VAL 7 H VAL 7 -3.954 -5.627 4.767 38 HA VAL 7 HA VAL 7 -4.951 -7.369 2.737 39 HB VAL 7 HB VAL 7 -2.382 -7.764 4.230 40 1HG1 VAL 7 1HG1 VAL 7 -3.510 -8.933 1.982 41 2HG1 VAL 7 2HG1 VAL 7 -2.361 -7.757 1.303 42 3HG1 VAL 7 3HG1 VAL 7 -1.793 -8.995 2.450 43 1HG2 VAL 7 1HG2 VAL 7 -1.999 -5.533 3.978 44 2HG2 VAL 7 2HG2 VAL 7 -1.562 -6.048 2.330 45 3HG2 VAL 7 3HG2 VAL 7 -3.174 -5.366 2.653 46 H THR 8 H THR 8 -5.415 -9.590 2.873 47 HA THR 8 HA THR 8 -6.708 -10.484 5.123 48 HB THR 8 HB THR 8 -5.695 -11.558 2.549 49 HG1 THR 8 1HG THR 8 -7.906 -12.514 2.850 50 1HG2 THR 8 1HG2 THR 8 -4.718 -13.259 4.176 51 2HG2 THR 8 2HG2 THR 8 -6.353 -13.477 4.844 52 3HG2 THR 8 3HG2 THR 8 -6.019 -13.921 3.154 53 HA PRO 9 HA PRO 9 -2.794 -12.631 6.565 54 1HB PRO 9 1HB PRO 9 -0.434 -12.299 5.231 55 2HB PRO 9 2HB PRO 9 -1.513 -13.667 4.957 56 1HG PRO 9 1HG PRO 9 -1.066 -11.248 3.328 57 2HG PRO 9 2HG PRO 9 -1.775 -12.825 2.825 58 1HD PRO 9 1HD PRO 9 -3.119 -10.348 3.340 59 2HD PRO 9 2HD PRO 9 -3.877 -11.911 3.005 60 H SER 10 H SER 10 -0.146 -11.870 7.069 61 HA SER 10 HA SER 10 -0.520 -9.088 7.810 62 1HB SER 10 1HB SER 10 -0.333 -11.403 9.614 63 2HB SER 10 2HB SER 10 0.877 -10.160 9.979 64 HG SER 10 HG SER 10 -1.941 -9.607 9.630 65 H SER 11 H SER 11 1.679 -11.956 7.587 66 HA SER 11 HA SER 11 4.013 -10.406 7.693 67 1HB SER 11 1HB SER 11 5.072 -12.541 6.771 68 2HB SER 11 2HB SER 11 4.189 -12.712 8.299 69 HG SER 11 HG SER 11 3.821 -14.331 6.449 70 H GLY 12 H GLY 12 2.823 -8.833 5.997 71 1HA GLY 12 1HA GLY 12 2.550 -9.403 3.330 72 2HA GLY 12 2HA GLY 12 3.023 -7.848 3.983 73 H LEU 13 H LEU 13 5.487 -9.354 5.249 74 HA LEU 13 HA LEU 13 7.257 -8.692 3.142 75 1HB LEU 13 1HB LEU 13 8.939 -9.037 4.650 76 2HB LEU 13 2HB LEU 13 7.584 -8.544 5.679 77 HG LEU 13 HG LEU 13 7.349 -11.275 5.702 78 1HD1 LEU 13 1HD1 LEU 13 9.923 -10.803 4.652 79 2HD1 LEU 13 2HD1 LEU 13 10.153 -11.315 6.341 80 3HD1 LEU 13 3HD1 LEU 13 9.230 -12.342 5.218 81 1HD2 LEU 13 1HD2 LEU 13 9.052 -10.621 7.861 82 2HD2 LEU 13 2HD2 LEU 13 8.088 -9.166 7.506 83 3HD2 LEU 13 3HD2 LEU 13 7.274 -10.712 7.844 84 H SER 14 H SER 14 5.797 -10.244 1.689 85 HA SER 14 HA SER 14 7.271 -12.754 1.635 86 1HB SER 14 1HB SER 14 4.527 -12.481 2.184 87 2HB SER 14 2HB SER 14 4.589 -12.996 0.488 88 HG SER 14 HG SER 14 5.391 -14.930 1.072 89 H ASP 15 H ASP 15 8.246 -13.136 -0.337 90 HA ASP 15 HA ASP 15 8.615 -11.381 -2.221 91 1HB ASP 15 1HB ASP 15 8.256 -14.371 -2.379 92 2HB ASP 15 2HB ASP 15 8.538 -13.477 -3.880 93 HD2 ASP 15 HD2 ASP 15 11.888 -13.170 -3.213 94 H GLY 16 H GLY 16 6.835 -10.010 -2.801 95 1HA GLY 16 1HA GLY 16 4.829 -9.413 -3.663 96 2HA GLY 16 2HA GLY 16 5.298 -10.495 -4.957 97 H THR 17 H THR 17 3.888 -10.620 -1.606 98 HA THR 17 HA THR 17 2.568 -13.105 -2.169 99 HB THR 17 HB THR 17 3.347 -11.534 0.100 100 HG1 THR 17 1HG THR 17 1.812 -13.990 -0.389 101 1HG2 THR 17 1HG2 THR 17 0.416 -12.378 0.243 102 2HG2 THR 17 2HG2 THR 17 1.357 -11.480 1.458 103 3HG2 THR 17 3HG2 THR 17 0.889 -10.689 -0.066 104 H VAL 18 H VAL 18 0.611 -13.466 -3.022 105 HA VAL 18 HA VAL 18 -0.977 -11.092 -3.637 106 HB VAL 18 HB VAL 18 -1.600 -13.811 -4.692 107 1HG1 VAL 18 1HG1 VAL 18 -2.053 -10.982 -5.410 108 2HG1 VAL 18 2HG1 VAL 18 -1.647 -12.043 -6.781 109 3HG1 VAL 18 3HG1 VAL 18 -3.039 -12.427 -5.741 110 1HG2 VAL 18 1HG2 VAL 18 0.679 -14.000 -5.099 111 2HG2 VAL 18 2HG2 VAL 18 0.100 -13.211 -6.587 112 3HG2 VAL 18 3HG2 VAL 18 0.895 -12.247 -5.319 113 H VAL 19 H VAL 19 -2.768 -10.625 -2.470 114 HA VAL 19 HA VAL 19 -4.309 -12.794 -1.349 115 HB VAL 19 HB VAL 19 -4.254 -11.391 0.881 116 1HG1 VAL 19 1HG1 VAL 19 -1.816 -12.984 0.853 117 2HG1 VAL 19 2HG1 VAL 19 -3.361 -13.277 1.687 118 3HG1 VAL 19 3HG1 VAL 19 -3.146 -13.804 0.002 119 1HG2 VAL 19 1HG2 VAL 19 -1.573 -10.771 -0.393 120 2HG2 VAL 19 2HG2 VAL 19 -2.790 -9.621 0.206 121 3HG2 VAL 19 3HG2 VAL 19 -1.892 -10.645 1.352 122 H LYS 20 H LYS 20 -6.084 -11.375 0.203 123 HA LYS 20 HA LYS 20 -7.092 -9.401 -1.724 124 1HB LYS 20 1HB LYS 20 -8.705 -11.090 0.195 125 2HB LYS 20 2HB LYS 20 -9.320 -10.054 -1.106 126 1HG LYS 20 1HG LYS 20 -8.447 -11.500 -2.794 127 2HG LYS 20 2HG LYS 20 -7.422 -12.374 -1.642 128 1HD LYS 20 1HD LYS 20 -10.337 -12.383 -1.040 129 2HD LYS 20 2HD LYS 20 -9.876 -13.252 -2.515 130 1HE LYS 20 1HE LYS 20 -8.773 -14.889 -1.347 131 2HE LYS 20 2HE LYS 20 -8.163 -13.768 -0.120 132 1HZ LYS 20 1HZ LYS 20 -9.907 -15.409 0.578 133 2HZ LYS 20 2HZ LYS 20 -10.192 -13.852 0.985 134 3HZ LYS 20 3HZ LYS 20 -10.988 -14.525 -0.270 135 H VAL 21 H VAL 21 -7.685 -7.367 -0.998 136 HA VAL 21 HA VAL 21 -7.126 -6.884 1.849 137 HB VAL 21 HB VAL 21 -6.733 -5.144 -0.592 138 1HG1 VAL 21 1HG1 VAL 21 -6.181 -4.376 2.288 139 2HG1 VAL 21 2HG1 VAL 21 -6.046 -3.354 0.839 140 3HG1 VAL 21 3HG1 VAL 21 -7.645 -3.894 1.402 141 1HG2 VAL 21 1HG2 VAL 21 -5.042 -6.990 0.781 142 2HG2 VAL 21 2HG2 VAL 21 -4.645 -5.921 -0.585 143 3HG2 VAL 21 3HG2 VAL 21 -4.427 -5.345 1.085 144 H ALA 22 H ALA 22 -9.022 -6.752 2.941 145 HA ALA 22 HA ALA 22 -11.364 -5.767 1.537 146 1HB ALA 22 1HB ALA 22 -12.390 -6.379 3.853 147 2HB ALA 22 2HB ALA 22 -11.810 -7.699 2.807 148 3HB ALA 22 3HB ALA 22 -10.816 -7.146 4.177 149 H GLY 23 H GLY 23 -12.240 -3.750 1.804 150 1HA GLY 23 1HA GLY 23 -10.908 -1.999 3.782 151 2HA GLY 23 2HA GLY 23 -11.515 -1.477 2.225 152 H ALA 24 H ALA 24 -12.353 -2.386 5.544 153 HA ALA 24 HA ALA 24 -15.187 -1.999 5.026 154 1HB ALA 24 1HB ALA 24 -15.523 -3.069 7.051 155 2HB ALA 24 2HB ALA 24 -13.955 -3.771 6.588 156 3HB ALA 24 3HB ALA 24 -14.019 -2.433 7.759 157 H GLY 25 H GLY 25 -16.193 -0.066 5.277 158 1HA GLY 25 1HA GLY 25 -16.643 2.003 6.070 159 2HA GLY 25 2HA GLY 25 -15.415 1.792 7.302 160 H LEU 26 H LEU 26 -14.479 1.188 3.959 161 HA LEU 26 HA LEU 26 -12.695 3.455 4.100 162 1HB LEU 26 1HB LEU 26 -12.378 0.950 3.225 163 2HB LEU 26 2HB LEU 26 -12.814 1.732 1.696 164 HG LEU 26 HG LEU 26 -10.446 2.262 3.490 165 1HD1 LEU 26 1HD1 LEU 26 -10.377 0.428 1.770 166 2HD1 LEU 26 2HD1 LEU 26 -10.538 1.686 0.522 167 3HD1 LEU 26 3HD1 LEU 26 -9.123 1.678 1.603 168 1HD2 LEU 26 1HD2 LEU 26 -9.944 4.269 2.481 169 2HD2 LEU 26 2HD2 LEU 26 -10.946 3.932 1.050 170 3HD2 LEU 26 3HD2 LEU 26 -11.718 4.373 2.593 171 H GLN 27 H GLN 27 -12.843 3.447 0.976 172 HA GLN 27 HA GLN 27 -14.262 5.768 0.750 173 1HB GLN 27 1HB GLN 27 -13.352 3.679 -1.228 174 2HB GLN 27 2HB GLN 27 -14.296 5.070 -1.788 175 1HG GLN 27 1HG GLN 27 -11.503 4.926 -0.747 176 2HG GLN 27 2HG GLN 27 -12.188 5.997 -1.979 177 1HE2 GLN 27 1HE2 GLN 27 -12.911 7.968 -1.441 178 2HE2 GLN 27 2HE2 GLN 27 -12.856 8.660 0.144 179 H ALA 28 H ALA 28 -16.346 5.648 1.714 180 HA ALA 28 HA ALA 28 -18.183 3.622 1.244 181 1HB ALA 28 1HB ALA 28 -19.139 6.424 1.680 182 2HB ALA 28 2HB ALA 28 -19.580 4.922 2.526 183 3HB ALA 28 3HB ALA 28 -18.044 5.736 2.901 184 H GLY 29 H GLY 29 -18.041 3.108 -1.036 185 1HA GLY 29 1HA GLY 29 -19.092 3.131 -3.052 186 2HA GLY 29 2HA GLY 29 -19.931 4.604 -2.608 187 H THR 30 H THR 30 -16.691 5.134 -1.865 188 HA THR 30 HA THR 30 -16.346 6.674 -4.312 189 HB THR 30 HB THR 30 -14.198 6.882 -2.353 190 HG1 THR 30 1HG THR 30 -15.524 7.171 -0.516 191 1HG2 THR 30 1HG2 THR 30 -15.146 9.195 -2.073 192 2HG2 THR 30 2HG2 THR 30 -14.929 8.778 -3.790 193 3HG2 THR 30 3HG2 THR 30 -16.550 8.717 -3.056 194 H ALA 31 H ALA 31 -13.690 6.800 -4.736 195 HA ALA 31 HA ALA 31 -12.690 4.080 -4.901 196 1HB ALA 31 1HB ALA 31 -12.659 3.934 -7.216 197 2HB ALA 31 2HB ALA 31 -14.189 4.809 -6.966 198 3HB ALA 31 3HB ALA 31 -12.720 5.699 -7.437 199 H TYR 32 H TYR 32 -10.388 4.006 -5.220 200 HA TYR 32 HA TYR 32 -9.008 6.547 -5.431 201 1HB TYR 32 1HB TYR 32 -9.201 4.679 -3.025 202 2HB TYR 32 2HB TYR 32 -7.695 5.565 -3.281 203 HD1 TYR 32 1HD TYR 32 -9.514 7.963 -4.535 204 HD2 TYR 32 2HD TYR 32 -9.345 5.852 -0.817 205 HE1 TYR 32 1HE TYR 32 -10.513 9.971 -3.340 206 HE2 TYR 32 2HE TYR 32 -10.346 7.868 0.364 207 HH TYR 32 HH TYR 32 -10.824 10.009 0.172 208 H ASP 33 H ASP 33 -6.450 5.686 -4.676 209 HA ASP 33 HA ASP 33 -6.042 3.608 -6.673 210 1HB ASP 33 1HB ASP 33 -4.330 5.899 -5.661 211 2HB ASP 33 2HB ASP 33 -3.607 4.555 -6.559 212 HD2 ASP 33 HD2 ASP 33 -5.792 5.717 -9.323 213 H VAL 34 H VAL 34 -5.719 1.622 -5.649 214 HA VAL 34 HA VAL 34 -4.768 1.533 -2.947 215 HB VAL 34 HB VAL 34 -6.135 -0.169 -4.831 216 1HG1 VAL 34 1HG1 VAL 34 -3.856 -1.249 -4.928 217 2HG1 VAL 34 2HG1 VAL 34 -4.020 -1.594 -3.189 218 3HG1 VAL 34 3HG1 VAL 34 -5.168 -2.304 -4.348 219 1HG2 VAL 34 1HG2 VAL 34 -6.869 -1.288 -2.727 220 2HG2 VAL 34 2HG2 VAL 34 -5.723 -0.269 -1.824 221 3HG2 VAL 34 3HG2 VAL 34 -7.080 0.478 -2.700 222 H GLY 35 H GLY 35 -2.754 0.825 -2.202 223 1HA GLY 35 1HA GLY 35 -0.787 -0.432 -3.693 224 2HA GLY 35 2HA GLY 35 -0.548 1.289 -3.930 225 H GLN 36 H GLN 36 1.352 -0.374 -2.588 226 HA GLN 36 HA GLN 36 0.926 0.198 0.212 227 1HB GLN 36 1HB GLN 36 3.442 -1.093 -0.773 228 2HB GLN 36 2HB GLN 36 2.476 -1.463 0.667 229 1HG GLN 36 1HG GLN 36 1.407 -3.105 -0.442 230 2HG GLN 36 2HG GLN 36 0.888 -1.973 -1.701 231 1HE2 GLN 36 1HE2 GLN 36 3.033 -1.204 -2.980 232 2HE2 GLN 36 2HE2 GLN 36 3.924 -2.510 -3.685 233 H CYS 37 H CYS 37 1.346 2.345 0.667 234 HA CYS 37 HA CYS 37 3.793 3.454 -0.484 235 1HB CYS 37 1HB CYS 37 1.495 4.545 -0.831 236 2HB CYS 37 2HB CYS 37 1.627 5.055 0.856 237 H ALA 38 H ALA 38 5.265 4.604 0.980 238 HA ALA 38 HA ALA 38 4.875 4.918 3.690 239 1HB ALA 38 1HB ALA 38 6.407 2.955 4.435 240 2HB ALA 38 2HB ALA 38 4.699 2.599 4.083 241 3HB ALA 38 3HB ALA 38 5.956 2.207 2.885 242 H TRP 39 H TRP 39 7.088 5.251 4.836 243 HA TRP 39 HA TRP 39 8.646 6.889 3.146 244 1HB TRP 39 1HB TRP 39 9.675 5.960 5.776 245 2HB TRP 39 2HB TRP 39 9.714 7.565 5.044 246 HD1 TRP 39 HD TRP 39 7.469 5.317 7.201 247 HE1 TRP 39 1HE TRP 39 5.472 6.683 8.262 248 HE3 TRP 39 3HE TRP 39 8.289 9.587 4.563 249 HZ2 TRP 39 2HZ TRP 39 4.484 9.333 7.888 250 HZ3 TRP 39 3HZ TRP 39 6.764 11.516 4.971 251 HH2 TRP 39 HH TRP 39 4.914 11.437 6.566 252 H VAL 40 H VAL 40 9.976 6.069 1.580 253 HA VAL 40 HA VAL 40 11.171 3.453 2.045 254 HB VAL 40 HB VAL 40 9.928 4.532 -0.112 255 1HG1 VAL 40 1HG1 VAL 40 11.663 6.176 -0.554 256 2HG1 VAL 40 2HG1 VAL 40 12.910 4.905 -0.567 257 3HG1 VAL 40 3HG1 VAL 40 11.665 4.943 -1.840 258 1HG2 VAL 40 1HG2 VAL 40 11.085 2.686 -1.424 259 2HG2 VAL 40 2HG2 VAL 40 12.050 2.376 0.041 260 3HG2 VAL 40 3HG2 VAL 40 10.280 2.192 0.086 261 H ASP 41 H ASP 41 12.036 6.878 1.277 262 HA ASP 41 HA ASP 41 14.809 6.231 1.552 263 1HB ASP 41 1HB ASP 41 13.355 8.180 0.200 264 2HB ASP 41 2HB ASP 41 14.043 9.093 1.552 265 HD2 ASP 41 HD2 ASP 41 17.249 7.789 0.062 266 H THR 42 H THR 42 15.663 8.726 2.816 267 HA THR 42 HA THR 42 15.402 8.012 5.535 268 HB THR 42 HB THR 42 16.516 10.423 4.022 269 HG1 THR 42 1HG THR 42 17.424 8.119 4.019 270 1HG2 THR 42 1HG2 THR 42 17.798 10.251 6.508 271 2HG2 THR 42 2HG2 THR 42 16.606 11.495 6.054 272 3HG2 THR 42 3HG2 THR 42 16.081 10.033 6.929 273 H GLY 43 H GLY 43 13.026 7.852 5.685 274 1HA GLY 43 1HA GLY 43 11.155 8.672 6.649 275 2HA GLY 43 2HA GLY 43 11.976 10.195 6.926 276 H VAL 44 H VAL 44 12.161 9.100 3.632 277 HA VAL 44 HA VAL 44 10.331 11.220 2.869 278 HB VAL 44 HB VAL 44 12.132 9.471 1.182 279 1HG1 VAL 44 1HG1 VAL 44 11.887 11.824 -0.155 280 2HG1 VAL 44 2HG1 VAL 44 10.854 10.402 -0.439 281 3HG1 VAL 44 3HG1 VAL 44 10.286 11.720 0.614 282 1HG2 VAL 44 1HG2 VAL 44 12.661 12.178 2.452 283 2HG2 VAL 44 2HG2 VAL 44 13.508 10.646 2.782 284 3HG2 VAL 44 3HG2 VAL 44 13.678 11.432 1.195 285 H LEU 45 H LEU 45 8.218 10.782 2.544 286 HA LEU 45 HA LEU 45 7.246 8.150 2.487 287 1HB LEU 45 1HB LEU 45 6.105 10.254 3.266 288 2HB LEU 45 2HB LEU 45 5.803 10.628 1.561 289 HG LEU 45 HG LEU 45 4.797 8.120 1.687 290 1HD1 LEU 45 1HD1 LEU 45 3.809 9.165 4.303 291 2HD1 LEU 45 2HD1 LEU 45 3.916 7.496 3.696 292 3HD1 LEU 45 3HD1 LEU 45 5.380 8.332 4.263 293 1HD2 LEU 45 1HD2 LEU 45 3.820 10.725 1.392 294 2HD2 LEU 45 2HD2 LEU 45 2.972 9.203 1.029 295 3HD2 LEU 45 3HD2 LEU 45 2.777 9.973 2.622 296 H ALA 46 H ALA 46 7.787 6.749 0.885 297 HA ALA 46 HA ALA 46 7.425 7.740 -1.860 298 1HB ALA 46 1HB ALA 46 9.782 6.749 -0.599 299 2HB ALA 46 2HB ALA 46 9.226 5.495 -1.734 300 3HB ALA 46 3HB ALA 46 9.542 7.147 -2.318 301 H CYS 47 H CYS 47 6.154 6.481 -3.204 302 HA CYS 47 HA CYS 47 4.849 4.249 -1.871 303 1HB CYS 47 1HB CYS 47 4.074 5.602 -4.454 304 2HB CYS 47 2HB CYS 47 3.108 4.464 -3.507 305 H ASN 48 H ASN 48 4.508 2.217 -3.162 306 HA ASN 48 HA ASN 48 6.927 1.540 -4.473 307 1HB ASN 48 1HB ASN 48 4.368 0.094 -3.733 308 2HB ASN 48 2HB ASN 48 5.513 -0.688 -4.833 309 1HD2 ASN 48 1HD2 ASN 48 6.394 1.566 -2.295 310 2HD2 ASN 48 2HD2 ASN 48 7.210 0.450 -1.252 311 HA PRO 49 HA PRO 49 5.427 1.886 -8.581 312 1HB PRO 49 1HB PRO 49 6.615 -0.196 -9.890 313 2HB PRO 49 2HB PRO 49 7.456 1.302 -9.502 314 1HG PRO 49 1HG PRO 49 7.615 -1.348 -8.218 315 2HG PRO 49 2HG PRO 49 8.795 0.010 -8.141 316 1HD PRO 49 1HD PRO 49 6.937 -0.850 -6.139 317 2HD PRO 49 2HD PRO 49 7.962 0.589 -6.078 318 H ALA 50 H ALA 50 4.588 -0.800 -6.750 319 HA ALA 50 HA ALA 50 2.590 -1.546 -8.767 320 1HB ALA 50 1HB ALA 50 2.483 -3.562 -6.990 321 2HB ALA 50 2HB ALA 50 3.664 -3.530 -8.321 322 3HB ALA 50 3HB ALA 50 4.152 -3.024 -6.686 323 H ASP 51 H ASP 51 2.786 0.722 -6.574 324 HA ASP 51 HA ASP 51 0.616 -0.050 -4.876 325 1HB ASP 51 1HB ASP 51 1.723 1.421 -3.570 326 2HB ASP 51 2HB ASP 51 2.684 2.004 -4.939 327 HD2 ASP 51 HD2 ASP 51 0.635 4.786 -5.350 328 H PHE 52 H PHE 52 0.649 0.565 -8.033 329 HA PHE 52 HA PHE 52 -1.489 2.568 -8.001 330 1HB PHE 52 1HB PHE 52 -0.121 1.427 -10.462 331 2HB PHE 52 2HB PHE 52 -0.744 3.063 -10.224 332 HD1 PHE 52 1HD PHE 52 0.619 3.742 -7.656 333 HD2 PHE 52 2HD PHE 52 2.073 1.805 -11.139 334 HE1 PHE 52 1HE PHE 52 2.940 4.532 -7.125 335 HE2 PHE 52 2HE PHE 52 4.397 2.595 -10.608 336 HZ PHE 52 HZ PHE 52 4.801 3.949 -8.606 337 H SER 53 H SER 53 -3.278 1.248 -7.448 338 HA SER 53 HA SER 53 -4.146 -0.386 -9.640 339 1HB SER 53 1HB SER 53 -3.029 -2.072 -8.337 340 2HB SER 53 2HB SER 53 -3.749 -1.484 -6.829 341 HG SER 53 HG SER 53 -5.875 -2.061 -7.872 342 H SER 54 H SER 54 -5.823 1.153 -9.957 343 HA SER 54 HA SER 54 -7.238 2.559 -8.294 344 1HB SER 54 1HB SER 54 -9.277 2.103 -9.762 345 2HB SER 54 2HB SER 54 -7.808 2.600 -10.618 346 HG SER 54 HG SER 54 -8.734 0.824 -11.712 347 H VAL 55 H VAL 55 -9.179 2.355 -6.963 348 HA VAL 55 HA VAL 55 -10.072 -0.341 -6.381 349 HB VAL 55 HB VAL 55 -8.017 0.541 -4.919 350 1HG1 VAL 55 1HG1 VAL 55 -10.185 1.280 -3.012 351 2HG1 VAL 55 2HG1 VAL 55 -8.505 1.856 -3.121 352 3HG1 VAL 55 3HG1 VAL 55 -9.737 2.486 -4.242 353 1HG2 VAL 55 1HG2 VAL 55 -9.214 -0.826 -2.972 354 2HG2 VAL 55 2HG2 VAL 55 -10.362 -1.200 -4.278 355 3HG2 VAL 55 3HG2 VAL 55 -8.642 -1.617 -4.460 356 H THR 56 H THR 56 -12.113 -0.340 -5.154 357 HA THR 56 HA THR 56 -13.384 2.226 -4.755 358 HB THR 56 HB THR 56 -13.716 0.658 -7.211 359 HG1 THR 56 1HG THR 56 -14.846 2.729 -7.635 360 1HG2 THR 56 1HG2 THR 56 -15.700 -0.302 -5.991 361 2HG2 THR 56 2HG2 THR 56 -16.230 1.352 -5.599 362 3HG2 THR 56 3HG2 THR 56 -16.194 0.806 -7.292 363 H ALA 57 H ALA 57 -14.684 2.166 -3.017 364 HA ALA 57 HA ALA 57 -15.240 -0.500 -1.941 365 1HB ALA 57 1HB ALA 57 -15.880 1.428 -0.019 366 2HB ALA 57 2HB ALA 57 -14.380 0.474 -0.098 367 3HB ALA 57 3HB ALA 57 -14.445 2.092 -0.838 368 H ASP 58 H ASP 58 -17.349 -1.171 -1.485 369 HA ASP 58 HA ASP 58 -19.331 -0.100 -3.071 370 1HB ASP 58 1HB ASP 58 -19.996 -1.597 -0.537 371 2HB ASP 58 2HB ASP 58 -20.721 -1.764 -2.144 372 HD2 ASP 58 HD2 ASP 58 -17.388 -3.499 -2.714 373 H ALA 59 H ALA 59 -21.477 0.848 -2.246 374 HA ALA 59 HA ALA 59 -21.219 3.194 -0.971 375 1HB ALA 59 1HB ALA 59 -23.404 1.286 -1.525 376 2HB ALA 59 2HB ALA 59 -23.737 2.400 -0.177 377 3HB ALA 59 3HB ALA 59 -23.329 3.044 -1.784 378 H ASN 60 H ASN 60 -21.271 -0.041 0.485 379 HA ASN 60 HA ASN 60 -21.599 1.064 3.109 380 1HB ASN 60 1HB ASN 60 -22.395 -1.280 2.145 381 2HB ASN 60 2HB ASN 60 -20.751 -1.797 2.553 382 1HD2 ASN 60 1HD2 ASN 60 -22.618 -3.107 3.799 383 2HD2 ASN 60 2HD2 ASN 60 -22.824 -2.627 5.451 384 H GLY 61 H GLY 61 -19.280 1.992 1.566 385 1HA GLY 61 1HA GLY 61 -17.022 2.107 1.587 386 2HA GLY 61 2HA GLY 61 -17.241 2.005 3.323 387 H SER 62 H SER 62 -17.794 -0.483 0.739 388 HA SER 62 HA SER 62 -15.947 -2.169 2.229 389 1HB SER 62 1HB SER 62 -17.797 -3.325 0.178 390 2HB SER 62 2HB SER 62 -17.264 -4.009 1.724 391 HG SER 62 HG SER 62 -18.919 -3.062 2.743 392 H ALA 63 H ALA 63 -13.946 -1.767 1.251 393 HA ALA 63 HA ALA 63 -13.879 -1.927 -1.678 394 1HB ALA 63 1HB ALA 63 -12.699 -0.023 -1.405 395 2HB ALA 63 2HB ALA 63 -12.543 -0.282 0.350 396 3HB ALA 63 3HB ALA 63 -11.392 -1.048 -0.770 397 H SER 64 H SER 64 -14.029 -4.262 -1.714 398 HA SER 64 HA SER 64 -11.879 -5.643 -0.373 399 1HB SER 64 1HB SER 64 -14.182 -6.722 -2.044 400 2HB SER 64 2HB SER 64 -13.067 -7.700 -1.074 401 HG SER 64 HG SER 64 -15.375 -6.533 -0.306 402 H THR 65 H THR 65 -10.134 -4.728 -1.715 403 HA THR 65 HA THR 65 -10.150 -5.739 -4.481 404 HB THR 65 HB THR 65 -9.973 -3.225 -4.041 405 HG1 THR 65 1HG THR 65 -7.678 -4.723 -5.095 406 1HG2 THR 65 1HG2 THR 65 -7.190 -3.068 -3.563 407 2HG2 THR 65 2HG2 THR 65 -8.474 -2.547 -2.446 408 3HG2 THR 65 3HG2 THR 65 -7.791 -4.185 -2.315 409 H SER 66 H SER 66 -8.560 -7.083 -5.237 410 HA SER 66 HA SER 66 -6.791 -8.060 -3.137 411 1HB SER 66 1HB SER 66 -7.176 -10.168 -3.863 412 2HB SER 66 2HB SER 66 -8.582 -9.475 -4.689 413 HG SER 66 HG SER 66 -7.532 -9.553 -6.621 414 H LEU 67 H LEU 67 -4.541 -8.131 -3.506 415 HA LEU 67 HA LEU 67 -3.514 -7.690 -6.143 416 1HB LEU 67 1HB LEU 67 -4.189 -5.433 -4.777 417 2HB LEU 67 2HB LEU 67 -2.484 -5.632 -4.326 418 HG LEU 67 HG LEU 67 -2.164 -5.918 -6.926 419 1HD1 LEU 67 1HD1 LEU 67 -3.740 -4.420 -8.175 420 2HD1 LEU 67 2HD1 LEU 67 -4.448 -5.956 -7.616 421 3HD1 LEU 67 3HD1 LEU 67 -4.800 -4.444 -6.745 422 1HD2 LEU 67 1HD2 LEU 67 -1.030 -4.190 -5.820 423 2HD2 LEU 67 2HD2 LEU 67 -1.974 -3.371 -7.087 424 3HD2 LEU 67 3HD2 LEU 67 -2.537 -3.343 -5.399 425 H THR 68 H THR 68 -0.929 -7.320 -5.806 426 HA THR 68 HA THR 68 -0.178 -9.379 -3.841 427 HB THR 68 HB THR 68 1.124 -8.492 -6.470 428 HG1 THR 68 1HG THR 68 -0.859 -9.714 -6.714 429 1HG2 THR 68 1HG2 THR 68 1.785 -10.636 -4.403 430 2HG2 THR 68 2HG2 THR 68 2.248 -10.824 -6.112 431 3HG2 THR 68 3HG2 THR 68 2.891 -9.463 -5.162 432 H VAL 69 H VAL 69 1.323 -8.994 -2.283 433 HA VAL 69 HA VAL 69 2.049 -6.213 -1.952 434 HB VAL 69 HB VAL 69 1.076 -7.556 -0.124 435 1HG1 VAL 69 1HG1 VAL 69 3.699 -9.014 0.140 436 2HG1 VAL 69 2HG1 VAL 69 2.113 -9.398 0.853 437 3HG1 VAL 69 3HG1 VAL 69 2.397 -9.667 -0.884 438 1HG2 VAL 69 1HG2 VAL 69 2.660 -6.846 1.620 439 2HG2 VAL 69 2HG2 VAL 69 3.914 -6.600 0.381 440 3HG2 VAL 69 3HG2 VAL 69 2.447 -5.588 0.378 441 H ARG 70 H ARG 70 3.584 -5.897 -3.643 442 HA ARG 70 HA ARG 70 5.839 -7.661 -3.673 443 1HB ARG 70 1HB ARG 70 5.203 -5.141 -5.275 444 2HB ARG 70 2HB ARG 70 6.593 -6.196 -5.587 445 1HG ARG 70 1HG ARG 70 3.981 -7.594 -5.439 446 2HG ARG 70 2HG ARG 70 4.109 -6.443 -6.779 447 1HD ARG 70 1HD ARG 70 5.963 -7.588 -7.725 448 2HD ARG 70 2HD ARG 70 6.314 -8.463 -6.227 449 HE ARG 70 HE ARG 70 4.651 -10.033 -6.783 450 1HH1 ARG 70 1HH1 ARG 70 4.418 -7.240 -8.911 451 2HH1 ARG 70 2HH1 ARG 70 3.284 -7.994 -9.985 452 1HH2 ARG 70 1HH2 ARG 70 3.156 -11.026 -8.198 453 2HH2 ARG 70 2HH2 ARG 70 2.562 -10.160 -9.576 454 H ARG 71 H ARG 71 6.588 -7.128 -1.440 455 HA ARG 71 HA ARG 71 7.122 -4.634 -0.540 456 1HB ARG 71 1HB ARG 71 7.284 -6.669 0.844 457 2HB ARG 71 2HB ARG 71 8.714 -7.205 -0.055 458 1HG ARG 71 1HG ARG 71 9.373 -4.614 0.758 459 2HG ARG 71 2HG ARG 71 8.484 -5.261 2.150 460 1HD ARG 71 1HD ARG 71 11.051 -6.229 0.885 461 2HD ARG 71 2HD ARG 71 10.700 -5.941 2.595 462 HE ARG 71 HE ARG 71 8.993 -7.989 2.030 463 1HH1 ARG 71 1HH1 ARG 71 12.409 -7.558 1.298 464 2HH1 ARG 71 2HH1 ARG 71 12.759 -9.253 1.327 465 1HH2 ARG 71 1HH2 ARG 71 9.456 -10.225 2.067 466 2HH2 ARG 71 2HH2 ARG 71 11.070 -10.782 1.767 467 H SER 72 H SER 72 8.952 -6.672 -2.829 468 HA SER 72 HA SER 72 11.154 -4.808 -2.775 469 1HB SER 72 1HB SER 72 11.956 -6.518 -4.636 470 2HB SER 72 2HB SER 72 12.034 -6.955 -2.921 471 HG SER 72 HG SER 72 10.235 -7.838 -4.967 472 H PHE 73 H PHE 73 11.585 -3.324 -4.429 473 HA PHE 73 HA PHE 73 10.947 -3.412 -7.019 474 1HB PHE 73 1HB PHE 73 8.580 -3.073 -5.287 475 2HB PHE 73 2HB PHE 73 8.744 -1.697 -6.383 476 HD1 PHE 73 1HD PHE 73 9.905 -3.153 -8.746 477 HD2 PHE 73 2HD PHE 73 6.689 -4.137 -6.159 478 HE1 PHE 73 1HE PHE 73 8.846 -4.504 -10.578 479 HE2 PHE 73 2HE PHE 73 5.629 -5.488 -7.990 480 HZ PHE 73 HZ PHE 73 6.721 -5.655 -10.177 481 H GLU 74 H GLU 74 10.446 -1.004 -7.950 482 HA GLU 74 HA GLU 74 12.383 0.614 -6.568 483 1HB GLU 74 1HB GLU 74 12.511 0.232 -9.030 484 2HB GLU 74 2HB GLU 74 10.976 1.095 -9.232 485 1HG GLU 74 1HG GLU 74 12.102 3.066 -8.033 486 2HG GLU 74 2HG GLU 74 13.633 2.197 -8.222 487 HE2 GLU 74 HE2 GLU 74 11.955 3.911 -11.380 488 H GLY 75 H GLY 75 11.692 1.987 -4.989 489 1HA GLY 75 1HA GLY 75 8.927 2.856 -4.931 490 2HA GLY 75 2HA GLY 75 10.168 3.135 -3.725 491 H PHE 76 H PHE 76 8.373 5.178 -4.611 492 HA PHE 76 HA PHE 76 10.329 6.996 -5.793 493 1HB PHE 76 1HB PHE 76 8.939 7.397 -7.600 494 2HB PHE 76 2HB PHE 76 8.145 5.879 -7.161 495 HD1 PHE 76 1HD PHE 76 7.943 9.535 -7.032 496 HD2 PHE 76 2HD PHE 76 5.987 5.894 -6.071 497 HE1 PHE 76 1HE PHE 76 5.802 10.788 -6.637 498 HE2 PHE 76 2HE PHE 76 3.848 7.147 -5.677 499 HZ PHE 76 HZ PHE 76 3.782 9.579 -5.965 500 H LEU 77 H LEU 77 10.485 8.887 -4.661 501 HA LEU 77 HA LEU 77 9.002 9.222 -2.309 502 1HB LEU 77 1HB LEU 77 10.599 11.287 -3.810 503 2HB LEU 77 2HB LEU 77 10.182 11.295 -2.087 504 HG LEU 77 HG LEU 77 12.262 10.497 -1.829 505 1HD1 LEU 77 1HD1 LEU 77 10.669 8.533 -1.422 506 2HD1 LEU 77 2HD1 LEU 77 11.285 7.874 -2.956 507 3HD1 LEU 77 3HD1 LEU 77 12.402 8.168 -1.602 508 1HD2 LEU 77 1HD2 LEU 77 13.712 9.794 -3.521 509 2HD2 LEU 77 2HD2 LEU 77 12.388 9.183 -4.539 510 3HD2 LEU 77 3HD2 LEU 77 12.618 10.936 -4.339 511 H PHE 78 H PHE 78 7.334 10.697 -1.754 512 HA PHE 78 HA PHE 78 5.488 11.129 -3.878 513 1HB PHE 78 1HB PHE 78 4.038 11.601 -2.059 514 2HB PHE 78 2HB PHE 78 5.252 10.599 -1.255 515 HD1 PHE 78 1HD PHE 78 3.826 13.931 -1.569 516 HD2 PHE 78 2HD PHE 78 6.924 11.644 0.213 517 HE1 PHE 78 1HE PHE 78 4.266 15.791 0.055 518 HE2 PHE 78 2HE PHE 78 7.363 13.506 1.839 519 HZ PHE 78 HZ PHE 78 6.029 15.557 1.741 520 H ASP 79 H ASP 79 8.112 12.939 -2.483 521 HA ASP 79 HA ASP 79 7.123 15.495 -2.701 522 1HB ASP 79 1HB ASP 79 9.213 15.056 -1.572 523 2HB ASP 79 2HB ASP 79 9.930 14.352 -3.031 524 HD2 ASP 79 HD2 ASP 79 11.291 17.383 -3.767 525 H GLY 80 H GLY 80 8.944 13.383 -5.032 526 1HA GLY 80 1HA GLY 80 7.688 13.993 -7.337 527 2HA GLY 80 2HA GLY 80 8.788 15.344 -7.153 528 H THR 81 H THR 81 10.739 13.533 -5.589 529 HA THR 81 HA THR 81 12.060 12.498 -7.965 530 HB THR 81 HB THR 81 12.978 12.774 -5.054 531 HG1 THR 81 1HG THR 81 13.478 14.353 -7.475 532 1HG2 THR 81 1HG2 THR 81 14.376 12.173 -7.695 533 2HG2 THR 81 2HG2 THR 81 15.241 12.979 -6.365 534 3HG2 THR 81 3HG2 THR 81 14.571 11.348 -6.129 535 H ARG 82 H ARG 82 13.081 10.347 -7.959 536 HA ARG 82 HA ARG 82 11.285 8.502 -6.612 537 1HB ARG 82 1HB ARG 82 11.848 6.895 -8.380 538 2HB ARG 82 2HB ARG 82 11.333 8.417 -9.126 539 1HG ARG 82 1HG ARG 82 14.037 8.828 -8.871 540 2HG ARG 82 2HG ARG 82 13.994 7.077 -9.143 541 1HD ARG 82 1HD ARG 82 13.908 7.636 -11.348 542 2HD ARG 82 2HD ARG 82 12.202 7.994 -11.047 543 HE ARG 82 HE ARG 82 14.066 10.201 -10.474 544 1HH1 ARG 82 1HH1 ARG 82 11.959 8.693 -12.854 545 2HH1 ARG 82 2HH1 ARG 82 11.789 10.132 -13.806 546 1HH2 ARG 82 1HH2 ARG 82 13.843 12.101 -11.727 547 2HH2 ARG 82 2HH2 ARG 82 12.869 12.083 -13.161 548 H TRP 83 H TRP 83 12.186 6.635 -5.511 549 HA TRP 83 HA TRP 83 15.015 6.998 -4.826 550 1HB TRP 83 1HB TRP 83 13.566 7.223 -2.941 551 2HB TRP 83 2HB TRP 83 12.729 5.717 -3.325 552 HD1 TRP 83 HD TRP 83 13.730 3.553 -2.203 553 HE1 TRP 83 1HE TRP 83 15.838 2.902 -0.752 554 HE3 TRP 83 3HE TRP 83 16.137 7.997 -2.754 555 HZ2 TRP 83 2HZ TRP 83 18.221 4.289 -0.017 556 HZ3 TRP 83 3HZ TRP 83 18.349 8.268 -1.638 557 HH2 TRP 83 HH TRP 83 19.393 6.504 -0.307 558 H GLY 84 H GLY 84 13.033 4.068 -4.325 559 1HA GLY 84 1HA GLY 84 13.157 2.441 -6.308 560 2HA GLY 84 2HA GLY 84 14.888 2.603 -6.085 561 H THR 85 H THR 85 15.664 2.292 -3.680 562 HA THR 85 HA THR 85 15.874 0.959 -1.911 563 HB THR 85 HB THR 85 12.862 1.044 -2.280 564 HG1 THR 85 1HG THR 85 14.623 1.592 -0.018 565 1HG2 THR 85 1HG2 THR 85 12.987 -0.010 0.171 566 2HG2 THR 85 2HG2 THR 85 12.894 -1.082 -1.248 567 3HG2 THR 85 3HG2 THR 85 14.463 -0.780 -0.461 568 H VAL 86 H VAL 86 13.412 -0.665 -4.033 569 HA VAL 86 HA VAL 86 13.681 -2.529 -5.260 570 HB VAL 86 HB VAL 86 16.281 -3.147 -3.880 571 1HG1 VAL 86 1HG1 VAL 86 15.913 -4.942 -5.223 572 2HG1 VAL 86 2HG1 VAL 86 14.836 -4.044 -6.317 573 3HG1 VAL 86 3HG1 VAL 86 16.599 -3.864 -6.462 574 1HG2 VAL 86 1HG2 VAL 86 15.707 -0.803 -5.467 575 2HG2 VAL 86 2HG2 VAL 86 17.225 -1.288 -4.674 576 3HG2 VAL 86 3HG2 VAL 86 16.863 -1.855 -6.322 577 H ASP 87 H ASP 87 14.485 -2.447 -1.779 578 HA ASP 87 HA ASP 87 12.699 -4.712 -1.484 579 1HB ASP 87 1HB ASP 87 15.427 -4.973 -1.199 580 2HB ASP 87 2HB ASP 87 14.951 -4.583 0.462 581 HD2 ASP 87 HD2 ASP 87 13.364 -7.940 -0.977 582 H CYS 88 H CYS 88 11.014 -3.722 -0.343 583 HA CYS 88 HA CYS 88 11.665 -1.606 1.515 584 1HB CYS 88 1HB CYS 88 9.849 -1.116 0.108 585 2HB CYS 88 2HB CYS 88 9.083 -2.683 0.391 586 H THR 89 H THR 89 12.899 -3.671 2.594 587 HA THR 89 HA THR 89 11.005 -5.063 4.353 588 HB THR 89 HB THR 89 12.616 -6.402 2.943 589 HG1 THR 89 1HG THR 89 13.237 -6.254 5.807 590 1HG2 THR 89 1HG2 THR 89 14.553 -4.773 3.018 591 2HG2 THR 89 2HG2 THR 89 14.711 -5.102 4.760 592 3HG2 THR 89 3HG2 THR 89 15.004 -6.402 3.580 593 H THR 90 H THR 90 13.101 -2.357 4.247 594 HA THR 90 HA THR 90 13.738 -2.513 7.082 595 HB THR 90 HB THR 90 14.439 -0.635 4.776 596 HG1 THR 90 1HG THR 90 16.495 -1.665 5.244 597 1HG2 THR 90 1HG2 THR 90 15.136 -0.471 7.751 598 2HG2 THR 90 2HG2 THR 90 16.114 0.305 6.483 599 3HG2 THR 90 3HG2 THR 90 14.426 0.811 6.740 600 H ALA 91 H ALA 91 12.026 -0.207 4.861 601 HA ALA 91 HA ALA 91 10.745 0.948 7.197 602 1HB ALA 91 1HB ALA 91 9.850 1.999 4.652 603 2HB ALA 91 2HB ALA 91 10.786 2.805 5.934 604 3HB ALA 91 3HB ALA 91 11.626 1.880 4.666 605 H ALA 92 H ALA 92 8.755 0.342 7.897 606 HA ALA 92 HA ALA 92 7.410 -1.808 6.778 607 1HB ALA 92 1HB ALA 92 6.157 0.377 8.473 608 2HB ALA 92 2HB ALA 92 5.747 -1.353 8.426 609 3HB ALA 92 3HB ALA 92 7.288 -0.825 9.141 610 H CYS 93 H CYS 93 6.247 -1.987 4.934 611 HA CYS 93 HA CYS 93 5.466 0.452 3.603 612 1HB CYS 93 1HB CYS 93 4.717 -2.097 2.366 613 2HB CYS 93 2HB CYS 93 5.563 -0.701 1.689 614 H GLN 94 H GLN 94 3.378 1.250 3.668 615 HA GLN 94 HA GLN 94 1.444 -0.406 5.049 616 1HB GLN 94 1HB GLN 94 1.533 2.561 4.403 617 2HB GLN 94 2HB GLN 94 0.136 1.781 5.164 618 1HG GLN 94 1HG GLN 94 1.219 1.524 7.171 619 2HG GLN 94 2HG GLN 94 2.793 1.227 6.419 620 1HE2 GLN 94 1HE2 GLN 94 3.049 2.712 8.459 621 2HE2 GLN 94 2HE2 GLN 94 3.192 4.406 8.128 622 H VAL 95 H VAL 95 -0.002 -1.563 3.856 623 HA VAL 95 HA VAL 95 -0.363 -0.845 1.073 624 HB VAL 95 HB VAL 95 -1.620 -3.145 2.557 625 1HG1 VAL 95 1HG1 VAL 95 -1.873 -4.151 0.472 626 2HG1 VAL 95 2HG1 VAL 95 -2.188 -2.437 0.114 627 3HG1 VAL 95 3HG1 VAL 95 -0.606 -3.152 -0.282 628 1HG2 VAL 95 1HG2 VAL 95 0.605 -4.239 1.390 629 2HG2 VAL 95 2HG2 VAL 95 1.235 -2.681 1.978 630 3HG2 VAL 95 3HG2 VAL 95 0.460 -3.813 3.113 631 H GLY 96 H GLY 96 -1.832 0.707 0.601 632 1HA GLY 96 1HA GLY 96 -4.545 0.399 1.503 633 2HA GLY 96 2HA GLY 96 -3.735 1.772 2.231 634 H LEU 97 H LEU 97 -5.718 2.679 0.834 635 HA LEU 97 HA LEU 97 -4.736 3.194 -1.882 636 1HB LEU 97 1HB LEU 97 -7.252 4.080 -1.946 637 2HB LEU 97 2HB LEU 97 -6.777 2.418 -2.335 638 HG LEU 97 HG LEU 97 -8.792 2.579 -0.908 639 1HD1 LEU 97 1HD1 LEU 97 -7.291 1.225 1.072 640 2HD1 LEU 97 2HD1 LEU 97 -8.192 0.534 -0.299 641 3HD1 LEU 97 3HD1 LEU 97 -6.471 0.948 -0.483 642 1HD2 LEU 97 1HD2 LEU 97 -8.909 3.987 0.799 643 2HD2 LEU 97 2HD2 LEU 97 -7.593 3.117 1.625 644 3HD2 LEU 97 3HD2 LEU 97 -7.217 4.466 0.526 645 H SER 98 H SER 98 -4.948 5.416 -2.714 646 HA SER 98 HA SER 98 -4.516 7.282 -0.526 647 1HB SER 98 1HB SER 98 -2.852 8.169 -1.757 648 2HB SER 98 2HB SER 98 -3.011 6.757 -2.819 649 HG SER 98 HG SER 98 -3.198 8.529 -4.166 650 H ASP 99 H ASP 99 -5.566 9.390 -0.577 651 HA ASP 99 HA ASP 99 -8.090 9.242 -1.956 652 1HB ASP 99 1HB ASP 99 -7.459 11.622 -0.292 653 2HB ASP 99 2HB ASP 99 -8.904 10.599 -0.282 654 HD2 ASP 99 HD2 ASP 99 -6.338 10.174 2.560 655 H ALA 100 H ALA 100 -8.900 11.313 -3.069 656 HA ALA 100 HA ALA 100 -6.725 12.461 -4.610 657 1HB ALA 100 1HB ALA 100 -9.669 13.028 -4.981 658 2HB ALA 100 2HB ALA 100 -8.369 12.983 -6.197 659 3HB ALA 100 3HB ALA 100 -8.980 11.468 -5.488 660 H ALA 101 H ALA 101 -7.571 13.074 -1.631 661 HA ALA 101 HA ALA 101 -8.104 15.929 -1.958 662 1HB ALA 101 1HB ALA 101 -8.087 14.156 0.521 663 2HB ALA 101 2HB ALA 101 -8.615 15.854 0.442 664 3HB ALA 101 3HB ALA 101 -9.531 14.596 -0.422 665 H GLY 102 H GLY 102 -5.649 13.545 -1.003 666 1HA GLY 102 1HA GLY 102 -3.356 14.174 -1.233 667 2HA GLY 102 2HA GLY 102 -3.747 15.777 -0.644 668 H ASN 103 H ASN 103 -4.875 12.596 0.656 669 HA ASN 103 HA ASN 103 -3.226 13.108 2.991 670 1HB ASN 103 1HB ASN 103 -5.980 11.949 3.380 671 2HB ASN 103 2HB ASN 103 -5.020 12.922 4.502 672 1HD2 ASN 103 1HD2 ASN 103 -4.405 15.146 3.327 673 2HD2 ASN 103 2HD2 ASN 103 -5.772 16.046 2.759 674 H GLY 104 H GLY 104 -3.006 11.026 4.352 675 1HA GLY 104 1HA GLY 104 -3.467 8.605 2.717 676 2HA GLY 104 2HA GLY 104 -1.929 8.927 3.496 677 HA PRO 105 HA PRO 105 -5.024 8.167 6.999 678 1HB PRO 105 1HB PRO 105 -7.652 7.684 6.435 679 2HB PRO 105 2HB PRO 105 -7.038 9.277 6.872 680 1HG PRO 105 1HG PRO 105 -7.807 8.199 4.235 681 2HG PRO 105 2HG PRO 105 -7.649 9.919 4.743 682 1HD PRO 105 1HD PRO 105 -5.861 8.368 3.130 683 2HD PRO 105 2HD PRO 105 -5.586 10.007 3.735 684 H GLU 106 H GLU 106 -5.802 6.360 4.108 685 HA GLU 106 HA GLU 106 -6.003 3.975 5.702 686 1HB GLU 106 1HB GLU 106 -6.901 4.859 3.088 687 2HB GLU 106 2HB GLU 106 -6.067 3.301 2.948 688 1HG GLU 106 1HG GLU 106 -8.536 3.107 3.378 689 2HG GLU 106 2HG GLU 106 -7.551 2.305 4.610 690 HE2 GLU 106 HE2 GLU 106 -9.806 5.387 5.621 691 H GLY 107 H GLY 107 -4.601 2.116 5.443 692 1HA GLY 107 1HA GLY 107 -2.632 1.467 3.883 693 2HA GLY 107 2HA GLY 107 -1.892 2.884 4.601 694 H VAL 108 H VAL 108 -2.410 -0.480 4.922 695 HA VAL 108 HA VAL 108 -1.919 -0.407 7.805 696 HB VAL 108 HB VAL 108 -3.783 -1.748 7.165 697 1HG1 VAL 108 1HG1 VAL 108 -1.988 -2.617 4.965 698 2HG1 VAL 108 2HG1 VAL 108 -3.041 -3.874 5.655 699 3HG1 VAL 108 3HG1 VAL 108 -3.753 -2.385 4.988 700 1HG2 VAL 108 1HG2 VAL 108 -2.580 -4.155 7.612 701 2HG2 VAL 108 2HG2 VAL 108 -1.326 -3.034 8.193 702 3HG2 VAL 108 3HG2 VAL 108 -2.966 -2.968 8.880 703 H ALA 109 H ALA 109 0.142 -0.557 8.502 704 HA ALA 109 HA ALA 109 2.268 -0.986 6.731 705 1HB ALA 109 1HB ALA 109 3.431 -0.194 8.491 706 2HB ALA 109 2HB ALA 109 1.875 -0.065 9.348 707 3HB ALA 109 3HB ALA 109 2.880 -1.523 9.538 708 H ILE 110 H ILE 110 1.854 -2.957 5.585 709 HA ILE 110 HA ILE 110 1.663 -5.379 7.155 710 HB ILE 110 HB ILE 110 0.466 -4.687 4.905 711 1HG1 ILE 110 1HG1 ILE 110 0.114 -7.070 4.441 712 2HG1 ILE 110 2HG1 ILE 110 1.460 -7.488 5.515 713 1HG2 ILE 110 1HG2 ILE 110 1.603 -5.871 2.987 714 2HG2 ILE 110 2HG2 ILE 110 2.352 -4.342 3.508 715 3HG2 ILE 110 3HG2 ILE 110 3.079 -5.897 3.981 716 1HD1 ILE 110 1HD1 ILE 110 -1.016 -7.521 6.430 717 2HD1 ILE 110 2HD1 ILE 110 0.280 -6.837 7.441 718 3HD1 ILE 110 3HD1 ILE 110 -0.803 -5.754 6.531 719 H SER 111 H SER 111 3.186 -7.168 6.922 720 HA SER 111 HA SER 111 5.417 -7.328 5.567 721 1HB SER 111 1HB SER 111 7.076 -6.321 7.458 722 2HB SER 111 2HB SER 111 6.570 -5.400 6.032 723 HG SER 111 HG SER 111 4.826 -5.285 8.249 724 H PHE 112 H PHE 112 4.696 -7.010 9.125 725 HA PHE 112 HA PHE 112 4.924 -9.877 9.377 726 1HB PHE 112 1HB PHE 112 7.241 -9.168 9.717 727 2HB PHE 112 2HB PHE 112 6.741 -7.771 10.674 728 HD1 PHE 112 1HD PHE 112 7.560 -8.016 12.816 729 HD2 PHE 112 2HD PHE 112 5.888 -11.404 10.880 730 HE1 PHE 112 1HE PHE 112 7.862 -9.363 14.911 731 HE2 PHE 112 2HE PHE 112 6.192 -12.750 12.976 732 HZ PHE 112 HZ PHE 112 7.173 -11.714 14.967 733 H ASN 113 H ASN 113 3.322 -10.566 10.718 734 HA ASN 113 HA ASN 113 1.516 -8.892 11.820 735 1HB ASN 113 1HB ASN 113 1.329 -11.408 11.511 736 2HB ASN 113 2HB ASN 113 2.311 -11.619 12.969 737 1HD2 ASN 113 1HD2 ASN 113 0.036 -12.813 13.122 738 2HD2 ASN 113 2HD2 ASN 113 -1.149 -11.974 14.067 739 6H NCZ 130 6H NCZ 130 -0.260 13.590 -0.813 740 6H1 NCZ 130 6H1 NCZ 130 -0.559 10.756 -1.424 741 5H1 NCZ 130 5H1 NCZ 130 -2.579 11.815 -0.086 742 4H1 NCZ 130 4H1 NCZ 130 -1.522 12.197 2.432 743 5H NCZ 130 5H NCZ 130 1.997 12.851 1.808 744 3H1 NCZ 130 3H1 NCZ 130 0.628 11.049 2.382 745 2H1 NCZ 130 2H1 NCZ 130 1.752 11.468 -0.441 746 2H NCZ 130 2H NCZ 130 0.087 8.650 -3.623 747 8H NCZ 130 8H NCZ 130 -0.855 5.580 -3.528 748 7H NCZ 130 7H NCZ 130 -1.562 4.307 -1.533 749 3H NCZ 130 3H NCZ 130 -0.749 4.702 3.083 750 1H17 NCZ 130 1H17 NCZ 130 1.432 8.041 5.140 751 2H17 NCZ 130 2H17 NCZ 130 2.053 8.343 3.499 752 3H17 NCZ 130 3H17 NCZ 130 0.378 8.778 3.910 753 1H18 NCZ 130 1H18 NCZ 130 -1.590 3.184 -0.092 754 2H18 NCZ 130 2H18 NCZ 130 -1.453 2.975 1.671 755 3H18 NCZ 130 3H18 NCZ 130 -2.775 3.952 0.988 756 1H NCZ 130 1H NCZ 130 1.303 8.011 1.409 Start of MODEL 2 1 H ALA 1 H ALA 1 -15.529 -2.780 14.320 2 HA ALA 1 HA ALA 1 -14.474 -4.066 12.714 3 1HB ALA 1 1HB ALA 1 -15.598 -5.349 11.145 4 2HB ALA 1 2HB ALA 1 -16.840 -5.239 12.417 5 3HB ALA 1 3HB ALA 1 -16.932 -4.182 10.988 6 H ALA 2 H ALA 2 -13.185 -2.329 12.181 7 HA ALA 2 HA ALA 2 -13.990 -0.829 9.866 8 1HB ALA 2 1HB ALA 2 -13.078 1.105 11.811 9 2HB ALA 2 2HB ALA 2 -14.596 1.082 10.882 10 3HB ALA 2 3HB ALA 2 -14.498 0.243 12.450 11 HA PRO 3 HA PRO 3 -9.544 -1.782 10.609 12 1HB PRO 3 1HB PRO 3 -9.213 -3.884 8.899 13 2HB PRO 3 2HB PRO 3 -9.476 -4.085 10.629 14 1HG PRO 3 1HG PRO 3 -11.340 -4.460 8.374 15 2HG PRO 3 2HG PRO 3 -11.454 -5.112 10.049 16 1HD PRO 3 1HD PRO 3 -12.917 -2.944 8.878 17 2HD PRO 3 2HD PRO 3 -12.951 -3.445 10.573 18 H THR 4 H THR 4 -11.604 -1.066 8.062 19 HA THR 4 HA THR 4 -11.323 0.098 6.190 20 HB THR 4 HB THR 4 -9.862 1.915 6.366 21 HG1 THR 4 1HG THR 4 -7.647 1.511 6.942 22 1HG2 THR 4 1HG2 THR 4 -10.841 1.282 8.777 23 2HG2 THR 4 2HG2 THR 4 -9.142 0.878 9.119 24 3HG2 THR 4 3HG2 THR 4 -9.582 2.531 8.624 25 H ALA 5 H ALA 5 -8.590 0.577 4.914 26 HA ALA 5 HA ALA 5 -8.651 -1.830 3.365 27 1HB ALA 5 1HB ALA 5 -7.270 -0.644 1.870 28 2HB ALA 5 2HB ALA 5 -8.277 0.627 2.604 29 3HB ALA 5 3HB ALA 5 -6.603 0.388 3.158 30 H THR 6 H THR 6 -7.729 -3.672 4.126 31 HA THR 6 HA THR 6 -4.981 -3.503 5.060 32 HB THR 6 HB THR 6 -5.817 -5.097 7.016 33 HG1 THR 6 1HG THR 6 -8.022 -5.234 6.529 34 1HG2 THR 6 1HG2 THR 6 -4.924 -2.763 7.409 35 2HG2 THR 6 2HG2 THR 6 -6.548 -2.120 7.070 36 3HG2 THR 6 3HG2 THR 6 -6.282 -3.162 8.488 37 H VAL 7 H VAL 7 -3.801 -5.448 4.825 38 HA VAL 7 HA VAL 7 -4.912 -7.117 2.764 39 HB VAL 7 HB VAL 7 -2.270 -7.537 4.122 40 1HG1 VAL 7 1HG1 VAL 7 -2.444 -7.570 1.190 41 2HG1 VAL 7 2HG1 VAL 7 -1.769 -8.774 2.314 42 3HG1 VAL 7 3HG1 VAL 7 -3.516 -8.750 1.978 43 1HG2 VAL 7 1HG2 VAL 7 -1.708 -5.825 2.014 44 2HG2 VAL 7 2HG2 VAL 7 -3.146 -5.091 2.768 45 3HG2 VAL 7 3HG2 VAL 7 -1.689 -5.404 3.745 46 H THR 8 H THR 8 -5.487 -9.293 2.933 47 HA THR 8 HA THR 8 -6.715 -10.220 5.131 48 HB THR 8 HB THR 8 -5.539 -11.332 2.658 49 HG1 THR 8 1HG THR 8 -7.705 -11.999 2.629 50 1HG2 THR 8 1HG2 THR 8 -5.703 -13.686 3.330 51 2HG2 THR 8 2HG2 THR 8 -4.501 -12.897 4.380 52 3HG2 THR 8 3HG2 THR 8 -6.139 -13.218 4.991 53 HA PRO 9 HA PRO 9 -2.777 -12.095 6.870 54 1HB PRO 9 1HB PRO 9 -0.361 -11.620 5.688 55 2HB PRO 9 2HB PRO 9 -1.322 -13.065 5.372 56 1HG PRO 9 1HG PRO 9 -0.935 -10.647 3.725 57 2HG PRO 9 2HG PRO 9 -1.499 -12.278 3.212 58 1HD PRO 9 1HD PRO 9 -3.042 -9.893 3.585 59 2HD PRO 9 2HD PRO 9 -3.667 -11.512 3.231 60 H SER 10 H SER 10 -0.209 -11.122 7.491 61 HA SER 10 HA SER 10 -0.643 -8.333 7.989 62 1HB SER 10 1HB SER 10 -1.492 -10.147 9.922 63 2HB SER 10 2HB SER 10 0.119 -9.685 10.495 64 HG SER 10 HG SER 10 -2.132 -8.330 10.821 65 H SER 11 H SER 11 1.328 -11.210 9.056 66 HA SER 11 HA SER 11 3.662 -9.733 8.144 67 1HB SER 11 1HB SER 11 4.277 -9.522 10.303 68 2HB SER 11 2HB SER 11 3.059 -10.681 10.863 69 HG SER 11 HG SER 11 5.784 -11.049 10.237 70 H GLY 12 H GLY 12 5.639 -11.357 7.984 71 1HA GLY 12 1HA GLY 12 6.521 -13.310 7.261 72 2HA GLY 12 2HA GLY 12 5.020 -14.127 7.641 73 H LEU 13 H LEU 13 5.183 -11.228 5.550 74 HA LEU 13 HA LEU 13 4.047 -12.815 3.405 75 1HB LEU 13 1HB LEU 13 4.432 -9.857 3.812 76 2HB LEU 13 2HB LEU 13 3.735 -10.573 2.348 77 HG LEU 13 HG LEU 13 2.586 -10.918 5.129 78 1HD1 LEU 13 1HD1 LEU 13 2.046 -8.748 4.975 79 2HD1 LEU 13 2HD1 LEU 13 2.371 -8.681 3.227 80 3HD1 LEU 13 3HD1 LEU 13 0.815 -9.309 3.820 81 1HD2 LEU 13 1HD2 LEU 13 0.755 -11.951 4.158 82 2HD2 LEU 13 2HD2 LEU 13 1.096 -11.284 2.543 83 3HD2 LEU 13 3HD2 LEU 13 2.110 -12.591 3.200 84 H SER 14 H SER 14 4.878 -12.328 1.110 85 HA SER 14 HA SER 14 7.776 -12.047 1.220 86 1HB SER 14 1HB SER 14 6.792 -14.448 0.895 87 2HB SER 14 2HB SER 14 6.425 -13.906 -0.754 88 HG SER 14 HG SER 14 8.598 -15.008 -0.235 89 H ASP 15 H ASP 15 8.751 -11.205 -0.805 90 HA ASP 15 HA ASP 15 7.347 -9.093 -1.829 91 1HB ASP 15 1HB ASP 15 9.663 -8.955 -2.087 92 2HB ASP 15 2HB ASP 15 9.812 -10.625 -2.656 93 HD2 ASP 15 HD2 ASP 15 9.776 -9.609 -5.912 94 H GLY 16 H GLY 16 5.234 -9.993 -2.523 95 1HA GLY 16 1HA GLY 16 4.338 -10.183 -4.841 96 2HA GLY 16 2HA GLY 16 5.381 -11.581 -5.016 97 H THR 17 H THR 17 3.673 -10.714 -1.982 98 HA THR 17 HA THR 17 2.368 -13.306 -2.047 99 HB THR 17 HB THR 17 2.518 -11.086 0.062 100 HG1 THR 17 1HG THR 17 4.467 -12.426 -0.824 101 1HG2 THR 17 1HG2 THR 17 2.198 -13.398 1.443 102 2HG2 THR 17 2HG2 THR 17 0.806 -12.409 0.945 103 3HG2 THR 17 3HG2 THR 17 1.275 -13.831 -0.016 104 H VAL 18 H VAL 18 0.628 -13.428 -3.356 105 HA VAL 18 HA VAL 18 -1.100 -11.166 -3.666 106 HB VAL 18 HB VAL 18 -1.476 -14.028 -4.561 107 1HG1 VAL 18 1HG1 VAL 18 -3.429 -12.361 -4.621 108 2HG1 VAL 18 2HG1 VAL 18 -2.514 -11.522 -5.896 109 3HG1 VAL 18 3HG1 VAL 18 -3.028 -13.209 -6.134 110 1HG2 VAL 18 1HG2 VAL 18 0.738 -12.833 -5.217 111 2HG2 VAL 18 2HG2 VAL 18 -0.228 -13.625 -6.488 112 3HG2 VAL 18 3HG2 VAL 18 -0.297 -11.856 -6.288 113 H VAL 19 H VAL 19 -2.797 -10.624 -2.394 114 HA VAL 19 HA VAL 19 -4.236 -12.725 -1.023 115 HB VAL 19 HB VAL 19 -4.016 -11.093 1.070 116 1HG1 VAL 19 1HG1 VAL 19 -1.672 -12.836 1.004 117 2HG1 VAL 19 2HG1 VAL 19 -3.131 -12.917 2.021 118 3HG1 VAL 19 3HG1 VAL 19 -3.137 -13.642 0.395 119 1HG2 VAL 19 1HG2 VAL 19 -1.417 -10.745 -0.448 120 2HG2 VAL 19 2HG2 VAL 19 -2.517 -9.480 0.148 121 3HG2 VAL 19 3HG2 VAL 19 -1.577 -10.459 1.301 122 H LYS 20 H LYS 20 -6.002 -11.352 0.464 123 HA LYS 20 HA LYS 20 -7.177 -9.530 -1.506 124 1HB LYS 20 1HB LYS 20 -8.462 -11.542 -1.024 125 2HB LYS 20 2HB LYS 20 -8.480 -11.148 0.703 126 1HG LYS 20 1HG LYS 20 -9.636 -8.987 0.131 127 2HG LYS 20 2HG LYS 20 -9.718 -9.513 -1.559 128 1HD LYS 20 1HD LYS 20 -11.614 -10.630 -1.091 129 2HD LYS 20 2HD LYS 20 -10.724 -11.661 0.046 130 1HE LYS 20 1HE LYS 20 -11.014 -9.535 1.641 131 2HE LYS 20 2HE LYS 20 -12.386 -9.200 0.573 132 1HZ LYS 20 1HZ LYS 20 -12.030 -11.861 1.700 133 2HZ LYS 20 2HZ LYS 20 -12.696 -10.683 2.614 134 3HZ LYS 20 3HZ LYS 20 -13.406 -11.128 1.213 135 H VAL 21 H VAL 21 -7.634 -7.414 -0.997 136 HA VAL 21 HA VAL 21 -6.898 -6.612 1.734 137 HB VAL 21 HB VAL 21 -6.746 -4.945 -0.779 138 1HG1 VAL 21 1HG1 VAL 21 -5.021 -3.760 0.823 139 2HG1 VAL 21 2HG1 VAL 21 -6.765 -3.430 0.961 140 3HG1 VAL 21 3HG1 VAL 21 -5.978 -4.552 2.096 141 1HG2 VAL 21 1HG2 VAL 21 -5.005 -7.086 0.089 142 2HG2 VAL 21 2HG2 VAL 21 -4.926 -6.087 -1.383 143 3HG2 VAL 21 3HG2 VAL 21 -4.140 -5.530 0.114 144 H ALA 22 H ALA 22 -8.809 -6.467 2.834 145 HA ALA 22 HA ALA 22 -11.137 -5.446 1.444 146 1HB ALA 22 1HB ALA 22 -12.007 -5.865 3.943 147 2HB ALA 22 2HB ALA 22 -11.791 -7.201 2.788 148 3HB ALA 22 3HB ALA 22 -10.540 -6.872 4.012 149 H GLY 23 H GLY 23 -12.001 -3.410 1.703 150 1HA GLY 23 1HA GLY 23 -10.572 -1.628 3.584 151 2HA GLY 23 2HA GLY 23 -11.115 -1.141 1.991 152 H ALA 24 H ALA 24 -12.437 -2.686 5.011 153 HA ALA 24 HA ALA 24 -15.071 -1.742 4.451 154 1HB ALA 24 1HB ALA 24 -14.113 -2.680 7.155 155 2HB ALA 24 2HB ALA 24 -15.673 -2.966 6.345 156 3HB ALA 24 3HB ALA 24 -14.217 -3.832 5.801 157 H GLY 25 H GLY 25 -15.771 0.311 4.727 158 1HA GLY 25 1HA GLY 25 -16.090 2.322 5.706 159 2HA GLY 25 2HA GLY 25 -15.175 1.781 7.100 160 H LEU 26 H LEU 26 -14.121 1.920 3.640 161 HA LEU 26 HA LEU 26 -11.957 3.688 4.523 162 1HB LEU 26 1HB LEU 26 -11.412 1.443 3.598 163 2HB LEU 26 2HB LEU 26 -12.088 1.966 2.047 164 HG LEU 26 HG LEU 26 -9.809 2.263 1.762 165 1HD1 LEU 26 1HD1 LEU 26 -10.814 4.935 2.784 166 2HD1 LEU 26 2HD1 LEU 26 -9.370 4.687 1.774 167 3HD1 LEU 26 3HD1 LEU 26 -10.981 4.293 1.133 168 1HD2 LEU 26 1HD2 LEU 26 -8.270 2.459 3.378 169 2HD2 LEU 26 2HD2 LEU 26 -9.138 3.784 4.190 170 3HD2 LEU 26 3HD2 LEU 26 -9.618 2.095 4.482 171 H GLN 27 H GLN 27 -12.919 3.233 1.138 172 HA GLN 27 HA GLN 27 -12.998 5.961 0.700 173 1HB GLN 27 1HB GLN 27 -13.693 3.494 -0.828 174 2HB GLN 27 2HB GLN 27 -14.384 5.009 -1.434 175 1HG GLN 27 1HG GLN 27 -11.439 4.723 -0.749 176 2HG GLN 27 2HG GLN 27 -12.064 4.297 -2.348 177 1HE2 GLN 27 1HE2 GLN 27 -11.587 6.843 0.012 178 2HE2 GLN 27 2HE2 GLN 27 -11.734 8.197 -1.056 179 H ALA 28 H ALA 28 -15.270 3.908 2.239 180 HA ALA 28 HA ALA 28 -17.293 4.276 3.060 181 1HB ALA 28 1HB ALA 28 -16.192 6.895 2.702 182 2HB ALA 28 2HB ALA 28 -17.908 6.954 2.230 183 3HB ALA 28 3HB ALA 28 -17.449 6.372 3.848 184 H GLY 29 H GLY 29 -16.492 3.929 -0.046 185 1HA GLY 29 1HA GLY 29 -18.213 2.814 -1.377 186 2HA GLY 29 2HA GLY 29 -19.291 4.137 -0.987 187 H THR 30 H THR 30 -16.253 5.534 -1.238 188 HA THR 30 HA THR 30 -16.883 6.598 -3.845 189 HB THR 30 HB THR 30 -14.392 7.160 -2.190 190 HG1 THR 30 1HG THR 30 -15.809 8.462 -0.875 191 1HG2 THR 30 1HG2 THR 30 -14.288 8.980 -3.565 192 2HG2 THR 30 2HG2 THR 30 -15.715 8.383 -4.447 193 3HG2 THR 30 3HG2 THR 30 -15.922 9.461 -3.045 194 H ALA 31 H ALA 31 -14.122 7.049 -4.676 195 HA ALA 31 HA ALA 31 -13.209 4.333 -5.226 196 1HB ALA 31 1HB ALA 31 -13.747 6.404 -7.390 197 2HB ALA 31 2HB ALA 31 -13.134 4.749 -7.623 198 3HB ALA 31 3HB ALA 31 -14.796 5.011 -7.043 199 H TYR 32 H TYR 32 -11.119 4.310 -4.583 200 HA TYR 32 HA TYR 32 -9.554 6.750 -5.096 201 1HB TYR 32 1HB TYR 32 -10.063 4.979 -2.731 202 2HB TYR 32 2HB TYR 32 -8.352 5.327 -2.990 203 HD1 TYR 32 1HD TYR 32 -8.443 6.423 -0.719 204 HD2 TYR 32 2HD TYR 32 -10.664 7.900 -4.065 205 HE1 TYR 32 1HE TYR 32 -8.737 8.661 0.452 206 HE2 TYR 32 2HE TYR 32 -10.950 10.131 -2.881 207 HH TYR 32 HH TYR 32 -9.450 11.369 -0.988 208 H ASP 33 H ASP 33 -7.029 5.931 -4.591 209 HA ASP 33 HA ASP 33 -6.710 3.860 -6.596 210 1HB ASP 33 1HB ASP 33 -5.282 6.307 -5.837 211 2HB ASP 33 2HB ASP 33 -4.177 4.931 -5.967 212 HD2 ASP 33 HD2 ASP 33 -4.106 6.081 -9.255 213 H VAL 34 H VAL 34 -5.873 1.846 -5.968 214 HA VAL 34 HA VAL 34 -5.158 1.550 -3.169 215 HB VAL 34 HB VAL 34 -6.454 -0.013 -5.176 216 1HG1 VAL 34 1HG1 VAL 34 -4.152 -0.942 -5.549 217 2HG1 VAL 34 2HG1 VAL 34 -4.156 -1.490 -3.856 218 3HG1 VAL 34 3HG1 VAL 34 -5.349 -2.141 -5.005 219 1HG2 VAL 34 1HG2 VAL 34 -6.034 -0.061 -2.221 220 2HG2 VAL 34 2HG2 VAL 34 -7.541 -0.037 -3.167 221 3HG2 VAL 34 3HG2 VAL 34 -6.621 -1.552 -2.995 222 H GLY 35 H GLY 35 -3.101 1.206 -2.429 223 1HA GLY 35 1HA GLY 35 -1.027 0.072 -3.946 224 2HA GLY 35 2HA GLY 35 -0.905 1.815 -4.062 225 H GLN 36 H GLN 36 0.909 -0.131 -2.693 226 HA GLN 36 HA GLN 36 0.450 0.514 0.085 227 1HB GLN 36 1HB GLN 36 2.163 -1.110 0.577 228 2HB GLN 36 2HB GLN 36 1.091 -1.819 -0.645 229 1HG GLN 36 1HG GLN 36 3.078 -0.433 -2.099 230 2HG GLN 36 2HG GLN 36 3.955 -1.238 -0.789 231 1HE2 GLN 36 1HE2 GLN 36 4.071 -1.777 -3.604 232 2HE2 GLN 36 2HE2 GLN 36 3.561 -3.411 -3.866 233 H CYS 37 H CYS 37 1.187 2.478 0.770 234 HA CYS 37 HA CYS 37 3.647 3.462 -0.470 235 1HB CYS 37 1HB CYS 37 1.300 4.724 -0.391 236 2HB CYS 37 2HB CYS 37 1.931 5.255 1.172 237 H ALA 38 H ALA 38 5.284 4.399 0.990 238 HA ALA 38 HA ALA 38 4.988 4.316 3.787 239 1HB ALA 38 1HB ALA 38 6.195 1.916 2.409 240 2HB ALA 38 2HB ALA 38 6.803 2.428 4.002 241 3HB ALA 38 3HB ALA 38 5.093 1.981 3.805 242 H TRP 39 H TRP 39 7.137 4.827 4.865 243 HA TRP 39 HA TRP 39 8.490 6.755 3.265 244 1HB TRP 39 1HB TRP 39 9.781 7.181 5.285 245 2HB TRP 39 2HB TRP 39 8.043 7.190 5.590 246 HD1 TRP 39 HD TRP 39 11.101 4.835 6.136 247 HE1 TRP 39 1HE TRP 39 10.713 3.279 8.234 248 HE3 TRP 39 3HE TRP 39 6.336 6.359 7.044 249 HZ2 TRP 39 2HZ TRP 39 8.507 2.870 9.995 250 HZ3 TRP 39 3HZ TRP 39 5.135 5.331 8.973 251 HH2 TRP 39 HH TRP 39 6.145 3.642 10.424 252 H VAL 40 H VAL 40 9.938 6.120 1.718 253 HA VAL 40 HA VAL 40 11.468 3.683 2.223 254 HB VAL 40 HB VAL 40 10.059 4.317 0.088 255 1HG1 VAL 40 1HG1 VAL 40 12.736 5.644 -0.456 256 2HG1 VAL 40 2HG1 VAL 40 11.514 5.267 -1.695 257 3HG1 VAL 40 3HG1 VAL 40 11.140 6.431 -0.401 258 1HG2 VAL 40 1HG2 VAL 40 12.729 2.918 0.235 259 2HG2 VAL 40 2HG2 VAL 40 11.095 2.218 0.148 260 3HG2 VAL 40 3HG2 VAL 40 11.810 2.993 -1.286 261 H ASP 41 H ASP 41 11.846 7.161 1.282 262 HA ASP 41 HA ASP 41 14.648 7.011 1.374 263 1HB ASP 41 1HB ASP 41 12.874 8.772 0.341 264 2HB ASP 41 2HB ASP 41 13.235 9.622 1.851 265 HD2 ASP 41 HD2 ASP 41 16.413 9.121 -0.483 266 H THR 42 H THR 42 14.982 9.603 2.906 267 HA THR 42 HA THR 42 15.191 8.440 5.532 268 HB THR 42 HB THR 42 16.938 9.909 4.390 269 HG1 THR 42 1HG THR 42 16.527 9.607 6.798 270 1HG2 THR 42 1HG2 THR 42 15.992 12.442 5.239 271 2HG2 THR 42 2HG2 THR 42 16.245 11.924 3.556 272 3HG2 THR 42 3HG2 THR 42 14.643 11.743 4.313 273 H GLY 43 H GLY 43 12.589 8.228 5.138 274 1HA GLY 43 1HA GLY 43 10.877 8.716 6.673 275 2HA GLY 43 2HA GLY 43 11.505 10.340 6.872 276 H VAL 44 H VAL 44 11.742 9.602 3.581 277 HA VAL 44 HA VAL 44 9.468 11.274 3.006 278 HB VAL 44 HB VAL 44 11.391 9.932 1.102 279 1HG1 VAL 44 1HG1 VAL 44 10.842 11.965 -0.293 280 2HG1 VAL 44 2HG1 VAL 44 9.500 10.822 -0.056 281 3HG1 VAL 44 3HG1 VAL 44 9.555 12.333 0.880 282 1HG2 VAL 44 1HG2 VAL 44 12.885 11.752 1.291 283 2HG2 VAL 44 2HG2 VAL 44 11.720 12.723 2.223 284 3HG2 VAL 44 3HG2 VAL 44 12.491 11.303 2.967 285 H LEU 45 H LEU 45 7.450 10.507 2.683 286 HA LEU 45 HA LEU 45 6.979 7.724 2.559 287 1HB LEU 45 1HB LEU 45 5.378 10.218 2.515 288 2HB LEU 45 2HB LEU 45 4.610 8.744 1.900 289 HG LEU 45 HG LEU 45 5.945 8.792 4.599 290 1HD1 LEU 45 1HD1 LEU 45 3.961 9.530 5.681 291 2HD1 LEU 45 2HD1 LEU 45 4.336 10.722 4.414 292 3HD1 LEU 45 3HD1 LEU 45 3.044 9.526 4.157 293 1HD2 LEU 45 1HD2 LEU 45 4.850 6.836 5.011 294 2HD2 LEU 45 2HD2 LEU 45 3.470 7.251 3.966 295 3HD2 LEU 45 3HD2 LEU 45 5.002 6.710 3.241 296 H ALA 46 H ALA 46 7.804 6.636 0.812 297 HA ALA 46 HA ALA 46 7.135 7.749 -1.824 298 1HB ALA 46 1HB ALA 46 9.331 5.834 -0.937 299 2HB ALA 46 2HB ALA 46 9.020 6.315 -2.622 300 3HB ALA 46 3HB ALA 46 9.537 7.531 -1.429 301 H CYS 47 H CYS 47 6.130 6.395 -3.381 302 HA CYS 47 HA CYS 47 4.929 4.012 -2.183 303 1HB CYS 47 1HB CYS 47 3.896 5.465 -4.603 304 2HB CYS 47 2HB CYS 47 3.056 4.299 -3.580 305 H ASN 48 H ASN 48 4.755 2.088 -3.603 306 HA ASN 48 HA ASN 48 7.080 1.896 -5.259 307 1HB ASN 48 1HB ASN 48 5.091 -0.348 -5.088 308 2HB ASN 48 2HB ASN 48 6.856 -0.416 -4.981 309 1HD2 ASN 48 1HD2 ASN 48 7.057 1.715 -3.046 310 2HD2 ASN 48 2HD2 ASN 48 6.535 1.099 -1.515 311 HA PRO 49 HA PRO 49 4.877 1.764 -9.065 312 1HB PRO 49 1HB PRO 49 5.668 -0.491 -10.390 313 2HB PRO 49 2HB PRO 49 6.652 0.969 -10.298 314 1HG PRO 49 1HG PRO 49 6.908 -1.585 -8.843 315 2HG PRO 49 2HG PRO 49 8.154 -0.312 -9.107 316 1HD PRO 49 1HD PRO 49 6.672 -0.884 -6.723 317 2HD PRO 49 2HD PRO 49 7.772 0.478 -6.984 318 H ALA 50 H ALA 50 4.312 -0.802 -6.939 319 HA ALA 50 HA ALA 50 1.984 -1.646 -8.483 320 1HB ALA 50 1HB ALA 50 2.523 -2.929 -5.882 321 2HB ALA 50 2HB ALA 50 2.280 -3.658 -7.487 322 3HB ALA 50 3HB ALA 50 3.881 -3.035 -7.027 323 H ASP 51 H ASP 51 2.558 0.975 -6.772 324 HA ASP 51 HA ASP 51 0.504 0.690 -4.794 325 1HB ASP 51 1HB ASP 51 2.284 2.058 -4.075 326 2HB ASP 51 2HB ASP 51 2.430 2.867 -5.642 327 HD2 ASP 51 HD2 ASP 51 0.169 5.308 -4.748 328 H PHE 52 H PHE 52 0.563 1.083 -8.107 329 HA PHE 52 HA PHE 52 -1.647 3.006 -8.127 330 1HB PHE 52 1HB PHE 52 -0.101 1.873 -10.504 331 2HB PHE 52 2HB PHE 52 -0.941 3.425 -10.412 332 HD1 PHE 52 1HD PHE 52 2.147 2.169 -10.803 333 HD2 PHE 52 2HD PHE 52 0.096 4.768 -8.148 334 HE1 PHE 52 1HE PHE 52 4.316 3.294 -10.227 335 HE2 PHE 52 2HE PHE 52 2.264 5.891 -7.572 336 HZ PHE 52 HZ PHE 52 4.350 5.142 -8.617 337 H SER 53 H SER 53 -3.372 1.596 -7.564 338 HA SER 53 HA SER 53 -4.123 -0.117 -9.750 339 1HB SER 53 1HB SER 53 -3.046 -1.156 -7.306 340 2HB SER 53 2HB SER 53 -4.774 -1.553 -7.341 341 HG SER 53 HG SER 53 -2.663 -2.365 -9.085 342 H SER 54 H SER 54 -5.693 1.642 -10.045 343 HA SER 54 HA SER 54 -7.261 2.824 -8.309 344 1HB SER 54 1HB SER 54 -8.912 3.080 -10.032 345 2HB SER 54 2HB SER 54 -7.338 2.987 -10.843 346 HG SER 54 HG SER 54 -9.446 1.554 -11.429 347 H VAL 55 H VAL 55 -8.865 2.328 -6.820 348 HA VAL 55 HA VAL 55 -10.234 -0.224 -7.087 349 HB VAL 55 HB VAL 55 -8.359 0.560 -4.892 350 1HG1 VAL 55 1HG1 VAL 55 -10.783 -1.233 -4.524 351 2HG1 VAL 55 2HG1 VAL 55 -9.445 -1.047 -3.363 352 3HG1 VAL 55 3HG1 VAL 55 -10.499 0.338 -3.739 353 1HG2 VAL 55 1HG2 VAL 55 -9.010 -2.178 -6.012 354 2HG2 VAL 55 2HG2 VAL 55 -7.807 -1.091 -6.745 355 3HG2 VAL 55 3HG2 VAL 55 -7.578 -1.675 -5.080 356 H THR 56 H THR 56 -12.258 -0.283 -5.894 357 HA THR 56 HA THR 56 -13.082 2.323 -4.825 358 HB THR 56 HB THR 56 -14.137 0.793 -7.189 359 HG1 THR 56 1HG THR 56 -14.286 2.991 -7.829 360 1HG2 THR 56 1HG2 THR 56 -16.383 1.879 -6.878 361 2HG2 THR 56 2HG2 THR 56 -16.079 0.639 -5.640 362 3HG2 THR 56 3HG2 THR 56 -15.902 2.362 -5.235 363 H ALA 57 H ALA 57 -14.640 2.272 -3.178 364 HA ALA 57 HA ALA 57 -14.831 -0.367 -1.935 365 1HB ALA 57 1HB ALA 57 -13.819 1.544 -0.674 366 2HB ALA 57 2HB ALA 57 -15.373 2.403 -0.794 367 3HB ALA 57 3HB ALA 57 -15.268 0.878 0.115 368 H ASP 58 H ASP 58 -16.803 -1.360 -1.526 369 HA ASP 58 HA ASP 58 -18.891 -0.747 -3.184 370 1HB ASP 58 1HB ASP 58 -19.377 -2.087 -0.525 371 2HB ASP 58 2HB ASP 58 -20.041 -2.509 -2.111 372 HD2 ASP 58 HD2 ASP 58 -16.596 -3.855 -2.665 373 H ALA 59 H ALA 59 -21.181 -0.071 -2.486 374 HA ALA 59 HA ALA 59 -21.366 2.387 -1.483 375 1HB ALA 59 1HB ALA 59 -23.505 1.922 -1.980 376 2HB ALA 59 2HB ALA 59 -23.133 0.181 -2.002 377 3HB ALA 59 3HB ALA 59 -23.638 0.964 -0.486 378 H ASN 60 H ASN 60 -20.903 -0.614 0.378 379 HA ASN 60 HA ASN 60 -21.354 0.774 2.843 380 1HB ASN 60 1HB ASN 60 -21.951 -1.679 2.401 381 2HB ASN 60 2HB ASN 60 -20.217 -2.036 2.428 382 1HD2 ASN 60 1HD2 ASN 60 -19.529 -2.785 4.267 383 2HD2 ASN 60 2HD2 ASN 60 -20.107 -2.397 5.852 384 H GLY 61 H GLY 61 -19.211 1.809 1.129 385 1HA GLY 61 1HA GLY 61 -16.980 2.208 1.048 386 2HA GLY 61 2HA GLY 61 -17.180 2.372 2.780 387 H SER 62 H SER 62 -17.437 -0.596 0.717 388 HA SER 62 HA SER 62 -15.235 -1.663 2.307 389 1HB SER 62 1HB SER 62 -17.539 -3.176 1.012 390 2HB SER 62 2HB SER 62 -16.254 -3.898 2.001 391 HG SER 62 HG SER 62 -17.175 -3.129 3.820 392 H ALA 63 H ALA 63 -13.424 -1.498 1.005 393 HA ALA 63 HA ALA 63 -13.754 -2.156 -1.831 394 1HB ALA 63 1HB ALA 63 -12.019 -0.330 -0.242 395 2HB ALA 63 2HB ALA 63 -11.236 -1.155 -1.611 396 3HB ALA 63 3HB ALA 63 -12.676 -0.145 -1.886 397 H SER 64 H SER 64 -13.696 -4.411 -1.858 398 HA SER 64 HA SER 64 -11.488 -5.637 -0.436 399 1HB SER 64 1HB SER 64 -12.739 -7.782 -1.269 400 2HB SER 64 2HB SER 64 -13.448 -6.834 0.052 401 HG SER 64 HG SER 64 -14.324 -7.210 -2.613 402 H THR 65 H THR 65 -9.811 -4.875 -1.926 403 HA THR 65 HA THR 65 -9.956 -6.134 -4.584 404 HB THR 65 HB THR 65 -8.475 -3.665 -3.539 405 HG1 THR 65 1HG THR 65 -10.809 -3.533 -4.037 406 1HG2 THR 65 1HG2 THR 65 -7.281 -3.572 -5.499 407 2HG2 THR 65 2HG2 THR 65 -7.633 -5.309 -5.646 408 3HG2 THR 65 3HG2 THR 65 -8.676 -4.119 -6.460 409 H SER 66 H SER 66 -8.431 -7.574 -5.243 410 HA SER 66 HA SER 66 -6.704 -8.495 -3.135 411 1HB SER 66 1HB SER 66 -6.296 -10.419 -4.645 412 2HB SER 66 2HB SER 66 -8.027 -10.156 -4.371 413 HG SER 66 HG SER 66 -8.232 -9.276 -6.441 414 H LEU 67 H LEU 67 -4.523 -8.043 -3.049 415 HA LEU 67 HA LEU 67 -3.206 -7.271 -5.536 416 1HB LEU 67 1HB LEU 67 -3.870 -5.518 -3.343 417 2HB LEU 67 2HB LEU 67 -2.116 -5.604 -3.578 418 HG LEU 67 HG LEU 67 -2.717 -3.809 -4.899 419 1HD1 LEU 67 1HD1 LEU 67 -1.596 -5.831 -6.147 420 2HD1 LEU 67 2HD1 LEU 67 -3.130 -5.852 -7.052 421 3HD1 LEU 67 3HD1 LEU 67 -2.122 -4.385 -7.041 422 1HD2 LEU 67 1HD2 LEU 67 -5.168 -4.136 -4.580 423 2HD2 LEU 67 2HD2 LEU 67 -4.713 -3.581 -6.209 424 3HD2 LEU 67 3HD2 LEU 67 -5.148 -5.285 -5.939 425 H THR 68 H THR 68 -0.756 -7.301 -5.253 426 HA THR 68 HA THR 68 -0.097 -9.507 -3.419 427 HB THR 68 HB THR 68 0.083 -9.693 -6.028 428 HG1 THR 68 1HG THR 68 2.385 -9.993 -4.228 429 1HG2 THR 68 1HG2 THR 68 1.290 -7.500 -6.372 430 2HG2 THR 68 2HG2 THR 68 2.627 -8.117 -5.373 431 3HG2 THR 68 3HG2 THR 68 2.248 -8.894 -6.928 432 H VAL 69 H VAL 69 1.524 -9.338 -1.929 433 HA VAL 69 HA VAL 69 2.450 -6.628 -1.469 434 HB VAL 69 HB VAL 69 2.847 -9.130 0.183 435 1HG1 VAL 69 1HG1 VAL 69 2.696 -6.421 1.403 436 2HG1 VAL 69 2HG1 VAL 69 3.711 -7.819 1.828 437 3HG1 VAL 69 3HG1 VAL 69 4.153 -6.784 0.448 438 1HG2 VAL 69 1HG2 VAL 69 0.490 -7.334 -0.132 439 2HG2 VAL 69 2HG2 VAL 69 0.573 -9.060 0.294 440 3HG2 VAL 69 3HG2 VAL 69 0.922 -7.822 1.524 441 H ARG 70 H ARG 70 3.943 -6.353 -3.210 442 HA ARG 70 HA ARG 70 6.116 -8.248 -3.272 443 1HB ARG 70 1HB ARG 70 4.918 -6.285 -5.132 444 2HB ARG 70 2HB ARG 70 6.689 -6.282 -5.173 445 1HG ARG 70 1HG ARG 70 5.957 -9.004 -5.112 446 2HG ARG 70 2HG ARG 70 4.799 -8.256 -6.226 447 1HD ARG 70 1HD ARG 70 7.339 -7.134 -6.839 448 2HD ARG 70 2HD ARG 70 7.616 -8.872 -6.639 449 HE ARG 70 HE ARG 70 6.212 -7.583 -8.812 450 1HH1 ARG 70 1HH1 ARG 70 6.191 -10.493 -6.834 451 2HH1 ARG 70 2HH1 ARG 70 5.424 -11.465 -8.045 452 1HH2 ARG 70 1HH2 ARG 70 5.201 -8.866 -10.412 453 2HH2 ARG 70 2HH2 ARG 70 4.856 -10.534 -10.093 454 H ARG 71 H ARG 71 6.769 -7.433 -1.018 455 HA ARG 71 HA ARG 71 7.413 -5.023 -0.256 456 1HB ARG 71 1HB ARG 71 7.992 -7.464 0.693 457 2HB ARG 71 2HB ARG 71 9.613 -7.060 0.099 458 1HG ARG 71 1HG ARG 71 9.968 -5.654 1.829 459 2HG ARG 71 2HG ARG 71 8.431 -4.816 1.563 460 1HD ARG 71 1HD ARG 71 8.713 -5.985 3.826 461 2HD ARG 71 2HD ARG 71 7.237 -6.392 2.939 462 HE ARG 71 HE ARG 71 8.135 -8.559 2.476 463 1HH1 ARG 71 1HH1 ARG 71 10.413 -6.553 4.257 464 2HH1 ARG 71 2HH1 ARG 71 11.436 -7.880 4.694 465 1HH2 ARG 71 1HH2 ARG 71 9.484 -10.310 3.052 466 2HH2 ARG 71 2HH2 ARG 71 10.905 -10.032 4.004 467 H SER 72 H SER 72 9.095 -6.890 -2.781 468 HA SER 72 HA SER 72 11.217 -4.961 -2.910 469 1HB SER 72 1HB SER 72 12.369 -6.595 -3.957 470 2HB SER 72 2HB SER 72 11.037 -7.670 -3.498 471 HG SER 72 HG SER 72 11.459 -6.285 -5.997 472 H PHE 73 H PHE 73 11.455 -3.379 -4.532 473 HA PHE 73 HA PHE 73 10.313 -3.311 -6.980 474 1HB PHE 73 1HB PHE 73 8.384 -1.608 -6.318 475 2HB PHE 73 2HB PHE 73 8.068 -3.337 -6.145 476 HD1 PHE 73 1HD PHE 73 10.046 -1.085 -3.941 477 HD2 PHE 73 2HD PHE 73 6.556 -3.456 -4.380 478 HE1 PHE 73 1HE PHE 73 9.501 -0.728 -1.518 479 HE2 PHE 73 2HE PHE 73 6.010 -3.100 -1.956 480 HZ PHE 73 HZ PHE 73 7.489 -1.740 -0.552 481 H GLU 74 H GLU 74 9.791 -0.763 -7.612 482 HA GLU 74 HA GLU 74 12.143 0.585 -6.590 483 1HB GLU 74 1HB GLU 74 11.805 0.221 -9.066 484 2HB GLU 74 2HB GLU 74 10.426 1.331 -8.995 485 1HG GLU 74 1HG GLU 74 12.102 2.999 -7.903 486 2HG GLU 74 2HG GLU 74 13.369 1.920 -8.510 487 HE2 GLU 74 HE2 GLU 74 12.877 2.958 -11.776 488 H GLY 75 H GLY 75 11.795 1.939 -4.883 489 1HA GLY 75 1HA GLY 75 9.197 2.986 -4.297 490 2HA GLY 75 2HA GLY 75 10.700 3.308 -3.453 491 H PHE 76 H PHE 76 8.471 5.147 -4.408 492 HA PHE 76 HA PHE 76 10.229 6.988 -5.852 493 1HB PHE 76 1HB PHE 76 8.742 6.379 -7.582 494 2HB PHE 76 2HB PHE 76 7.467 5.913 -6.454 495 HD1 PHE 76 1HD PHE 76 5.572 7.208 -6.525 496 HD2 PHE 76 2HD PHE 76 9.300 9.025 -7.428 497 HE1 PHE 76 1HE PHE 76 4.404 9.384 -6.976 498 HE2 PHE 76 2HE PHE 76 8.131 11.201 -7.879 499 HZ PHE 76 HZ PHE 76 5.697 11.354 -7.647 500 H LEU 77 H LEU 77 10.438 8.900 -4.791 501 HA LEU 77 HA LEU 77 8.979 9.371 -2.426 502 1HB LEU 77 1HB LEU 77 10.535 11.443 -3.928 503 2HB LEU 77 2HB LEU 77 10.308 11.268 -2.179 504 HG LEU 77 HG LEU 77 12.050 9.601 -4.010 505 1HD1 LEU 77 1HD1 LEU 77 13.352 10.665 -1.674 506 2HD1 LEU 77 2HD1 LEU 77 13.714 10.933 -3.397 507 3HD1 LEU 77 3HD1 LEU 77 12.533 11.973 -2.562 508 1HD2 LEU 77 1HD2 LEU 77 12.704 8.620 -1.628 509 2HD2 LEU 77 2HD2 LEU 77 11.006 9.023 -1.277 510 3HD2 LEU 77 3HD2 LEU 77 11.402 7.920 -2.617 511 H PHE 78 H PHE 78 7.538 11.196 -1.962 512 HA PHE 78 HA PHE 78 5.638 11.492 -4.100 513 1HB PHE 78 1HB PHE 78 4.237 12.237 -2.309 514 2HB PHE 78 2HB PHE 78 5.329 11.116 -1.489 515 HD1 PHE 78 1HD PHE 78 4.556 14.672 -2.079 516 HD2 PHE 78 2HD PHE 78 6.864 11.902 0.160 517 HE1 PHE 78 1HE PHE 78 5.218 16.503 -0.495 518 HE2 PHE 78 2HE PHE 78 7.527 13.732 1.744 519 HZ PHE 78 HZ PHE 78 6.695 16.012 1.397 520 H ASP 79 H ASP 79 8.214 13.365 -2.549 521 HA ASP 79 HA ASP 79 7.362 15.895 -3.096 522 1HB ASP 79 1HB ASP 79 9.559 14.847 -1.968 523 2HB ASP 79 2HB ASP 79 10.258 15.192 -3.556 524 HD2 ASP 79 HD2 ASP 79 10.898 18.099 -1.605 525 H GLY 80 H GLY 80 9.189 13.507 -5.121 526 1HA GLY 80 1HA GLY 80 8.191 13.938 -7.543 527 2HA GLY 80 2HA GLY 80 9.251 15.326 -7.394 528 H THR 81 H THR 81 11.047 13.606 -5.503 529 HA THR 81 HA THR 81 12.682 12.566 -7.647 530 HB THR 81 HB THR 81 13.045 12.842 -4.617 531 HG1 THR 81 1HG THR 81 12.894 14.766 -6.116 532 1HG2 THR 81 1HG2 THR 81 15.176 12.364 -6.756 533 2HG2 THR 81 2HG2 THR 81 15.402 12.403 -4.990 534 3HG2 THR 81 3HG2 THR 81 14.525 11.051 -5.747 535 H ARG 82 H ARG 82 13.660 10.397 -7.566 536 HA ARG 82 HA ARG 82 11.660 8.533 -6.571 537 1HB ARG 82 1HB ARG 82 13.589 8.404 -8.920 538 2HB ARG 82 2HB ARG 82 12.753 6.959 -8.328 539 1HG ARG 82 1HG ARG 82 10.882 7.543 -9.436 540 2HG ARG 82 2HG ARG 82 10.849 9.131 -8.646 541 1HD ARG 82 1HD ARG 82 11.113 9.827 -10.828 542 2HD ARG 82 2HD ARG 82 12.826 9.604 -10.431 543 HE ARG 82 HE ARG 82 11.678 7.135 -11.387 544 1HH1 ARG 82 1HH1 ARG 82 12.781 10.280 -12.515 545 2HH1 ARG 82 2HH1 ARG 82 13.163 9.718 -14.107 546 1HH2 ARG 82 1HH2 ARG 82 12.180 6.393 -13.490 547 2HH2 ARG 82 2HH2 ARG 82 12.818 7.492 -14.667 548 H TRP 83 H TRP 83 12.360 6.673 -5.373 549 HA TRP 83 HA TRP 83 15.101 6.915 -4.371 550 1HB TRP 83 1HB TRP 83 13.213 7.048 -2.774 551 2HB TRP 83 2HB TRP 83 12.761 5.398 -3.207 552 HD1 TRP 83 HD TRP 83 13.640 3.740 -1.402 553 HE1 TRP 83 1HE TRP 83 15.717 3.465 0.201 554 HE3 TRP 83 3HE TRP 83 16.000 7.998 -2.869 555 HZ2 TRP 83 2HZ TRP 83 18.063 5.024 0.665 556 HZ3 TRP 83 3HZ TRP 83 18.180 8.548 -1.790 557 HH2 TRP 83 HH TRP 83 19.211 7.141 -0.079 558 H GLY 84 H GLY 84 12.911 4.055 -4.462 559 1HA GLY 84 1HA GLY 84 13.219 2.460 -6.333 560 2HA GLY 84 2HA GLY 84 14.943 2.675 -6.112 561 H THR 85 H THR 85 15.843 2.171 -3.853 562 HA THR 85 HA THR 85 16.129 0.763 -2.155 563 HB THR 85 HB THR 85 13.115 1.005 -2.299 564 HG1 THR 85 1HG THR 85 15.170 2.249 -1.195 565 1HG2 THR 85 1HG2 THR 85 14.697 -1.082 -0.780 566 2HG2 THR 85 2HG2 THR 85 13.357 -0.258 0.056 567 3HG2 THR 85 3HG2 THR 85 13.044 -1.184 -1.433 568 H VAL 86 H VAL 86 13.452 -0.715 -4.117 569 HA VAL 86 HA VAL 86 13.581 -2.527 -5.452 570 HB VAL 86 HB VAL 86 16.255 -3.257 -4.276 571 1HG1 VAL 86 1HG1 VAL 86 15.742 -3.688 -7.136 572 2HG1 VAL 86 2HG1 VAL 86 16.360 -4.808 -5.899 573 3HG1 VAL 86 3HG1 VAL 86 14.608 -4.552 -6.073 574 1HG2 VAL 86 1HG2 VAL 86 16.664 -1.936 -6.747 575 2HG2 VAL 86 2HG2 VAL 86 15.630 -0.869 -5.764 576 3HG2 VAL 86 3HG2 VAL 86 17.198 -1.424 -5.126 577 H ASP 87 H ASP 87 14.549 -2.560 -2.024 578 HA ASP 87 HA ASP 87 12.771 -4.833 -1.711 579 1HB ASP 87 1HB ASP 87 15.261 -5.475 -1.660 580 2HB ASP 87 2HB ASP 87 15.380 -4.540 -0.162 581 HD2 ASP 87 HD2 ASP 87 14.789 -8.008 0.684 582 H CYS 88 H CYS 88 11.167 -4.110 -0.304 583 HA CYS 88 HA CYS 88 11.766 -1.862 1.406 584 1HB CYS 88 1HB CYS 88 9.746 -1.650 0.239 585 2HB CYS 88 2HB CYS 88 9.231 -3.293 0.633 586 H THR 89 H THR 89 13.371 -3.765 2.339 587 HA THR 89 HA THR 89 11.915 -5.327 4.341 588 HB THR 89 HB THR 89 13.545 -6.497 2.869 589 HG1 THR 89 1HG THR 89 14.717 -7.355 4.723 590 1HG2 THR 89 1HG2 THR 89 15.508 -5.473 2.304 591 2HG2 THR 89 2HG2 THR 89 15.169 -4.139 3.431 592 3HG2 THR 89 3HG2 THR 89 16.009 -5.597 4.008 593 H THR 90 H THR 90 13.609 -2.347 3.967 594 HA THR 90 HA THR 90 14.439 -2.296 6.756 595 HB THR 90 HB THR 90 14.760 -0.458 4.337 596 HG1 THR 90 1HG THR 90 16.981 -1.171 4.787 597 1HG2 THR 90 1HG2 THR 90 14.570 0.769 6.654 598 2HG2 THR 90 2HG2 THR 90 16.091 -0.064 7.048 599 3HG2 THR 90 3HG2 THR 90 16.028 1.064 5.676 600 H ALA 91 H ALA 91 12.310 -0.334 4.567 601 HA ALA 91 HA ALA 91 11.036 0.754 6.942 602 1HB ALA 91 1HB ALA 91 10.507 1.363 4.009 603 2HB ALA 91 2HB ALA 91 10.065 2.350 5.422 604 3HB ALA 91 3HB ALA 91 11.776 2.164 4.967 605 H ALA 92 H ALA 92 8.649 0.731 7.136 606 HA ALA 92 HA ALA 92 7.651 -1.880 6.366 607 1HB ALA 92 1HB ALA 92 7.512 -0.829 8.710 608 2HB ALA 92 2HB ALA 92 6.259 0.238 8.033 609 3HB ALA 92 3HB ALA 92 6.013 -1.525 8.051 610 H CYS 93 H CYS 93 6.398 -2.201 4.598 611 HA CYS 93 HA CYS 93 5.495 0.129 3.167 612 1HB CYS 93 1HB CYS 93 4.717 -2.487 2.122 613 2HB CYS 93 2HB CYS 93 5.545 -1.143 1.333 614 H GLN 94 H GLN 94 3.459 0.969 3.468 615 HA GLN 94 HA GLN 94 1.565 -0.722 4.870 616 1HB GLN 94 1HB GLN 94 1.713 2.279 4.422 617 2HB GLN 94 2HB GLN 94 0.321 1.490 5.186 618 1HG GLN 94 1HG GLN 94 1.454 1.109 7.133 619 2HG GLN 94 2HG GLN 94 2.973 0.724 6.307 620 1HE2 GLN 94 1HE2 GLN 94 3.776 2.014 8.155 621 2HE2 GLN 94 2HE2 GLN 94 3.921 3.731 7.973 622 H VAL 95 H VAL 95 0.036 -1.770 3.680 623 HA VAL 95 HA VAL 95 -0.465 -0.838 0.980 624 HB VAL 95 HB VAL 95 -1.465 -3.278 2.463 625 1HG1 VAL 95 1HG1 VAL 95 -1.427 -3.914 -0.201 626 2HG1 VAL 95 2HG1 VAL 95 -2.864 -3.366 0.697 627 3HG1 VAL 95 3HG1 VAL 95 -1.907 -2.201 -0.250 628 1HG2 VAL 95 1HG2 VAL 95 0.505 -3.837 0.430 629 2HG2 VAL 95 2HG2 VAL 95 1.163 -2.681 1.612 630 3HG2 VAL 95 3HG2 VAL 95 0.522 -4.246 2.161 631 H GLY 96 H GLY 96 -2.168 0.423 0.434 632 1HA GLY 96 1HA GLY 96 -4.721 0.161 1.651 633 2HA GLY 96 2HA GLY 96 -3.879 1.560 2.287 634 H LEU 97 H LEU 97 -6.147 2.143 0.945 635 HA LEU 97 HA LEU 97 -5.284 2.844 -1.768 636 1HB LEU 97 1HB LEU 97 -7.761 3.243 -2.085 637 2HB LEU 97 2HB LEU 97 -7.207 1.564 -1.945 638 HG LEU 97 HG LEU 97 -7.987 2.673 0.632 639 1HD1 LEU 97 1HD1 LEU 97 -9.603 4.040 -0.260 640 2HD1 LEU 97 2HD1 LEU 97 -9.874 2.990 -1.673 641 3HD1 LEU 97 3HD1 LEU 97 -10.510 2.519 -0.079 642 1HD2 LEU 97 1HD2 LEU 97 -9.056 0.331 -0.969 643 2HD2 LEU 97 2HD2 LEU 97 -7.661 0.281 0.137 644 3HD2 LEU 97 3HD2 LEU 97 -9.287 0.628 0.772 645 H SER 98 H SER 98 -4.850 4.937 -2.249 646 HA SER 98 HA SER 98 -5.521 6.853 -0.167 647 1HB SER 98 1HB SER 98 -3.241 6.486 -2.019 648 2HB SER 98 2HB SER 98 -3.775 8.167 -1.856 649 HG SER 98 HG SER 98 -3.723 7.489 0.602 650 H ASP 99 H ASP 99 -5.820 9.219 -1.166 651 HA ASP 99 HA ASP 99 -8.120 9.103 -2.702 652 1HB ASP 99 1HB ASP 99 -6.401 11.575 -2.694 653 2HB ASP 99 2HB ASP 99 -8.155 11.439 -2.487 654 HD2 ASP 99 HD2 ASP 99 -6.638 12.294 0.696 655 H ALA 100 H ALA 100 -8.382 10.248 -4.912 656 HA ALA 100 HA ALA 100 -6.794 9.086 -6.834 657 1HB ALA 100 1HB ALA 100 -9.012 10.924 -6.657 658 2HB ALA 100 2HB ALA 100 -7.864 11.506 -7.889 659 3HB ALA 100 3HB ALA 100 -8.545 9.865 -8.007 660 H ALA 101 H ALA 101 -6.202 11.880 -4.808 661 HA ALA 101 HA ALA 101 -4.209 12.967 -6.596 662 1HB ALA 101 1HB ALA 101 -4.903 13.715 -3.730 663 2HB ALA 101 2HB ALA 101 -3.997 14.694 -4.908 664 3HB ALA 101 3HB ALA 101 -5.729 14.369 -5.165 665 H GLY 102 H GLY 102 -4.487 10.724 -3.882 666 1HA GLY 102 1HA GLY 102 -2.803 9.140 -3.467 667 2HA GLY 102 2HA GLY 102 -1.589 10.259 -4.057 668 H ASN 103 H ASN 103 -4.052 11.698 -2.040 669 HA ASN 103 HA ASN 103 -2.050 12.013 0.013 670 1HB ASN 103 1HB ASN 103 -4.705 13.356 -0.617 671 2HB ASN 103 2HB ASN 103 -3.906 13.630 0.938 672 1HD2 ASN 103 1HD2 ASN 103 -4.493 15.242 -1.599 673 2HD2 ASN 103 2HD2 ASN 103 -2.996 16.024 -1.984 674 H GLY 104 H GLY 104 -2.771 11.751 2.361 675 1HA GLY 104 1HA GLY 104 -4.276 10.923 3.959 676 2HA GLY 104 2HA GLY 104 -5.106 10.003 2.720 677 HA PRO 105 HA PRO 105 -1.280 7.718 4.392 678 1HB PRO 105 1HB PRO 105 -1.191 7.742 7.122 679 2HB PRO 105 2HB PRO 105 -0.191 8.789 6.115 680 1HG PRO 105 1HG PRO 105 -2.624 9.409 7.664 681 2HG PRO 105 2HG PRO 105 -1.362 10.539 7.055 682 1HD PRO 105 1HD PRO 105 -3.999 10.091 6.030 683 2HD PRO 105 2HD PRO 105 -2.740 11.096 5.300 684 H GLU 106 H GLU 106 -3.613 6.830 3.510 685 HA GLU 106 HA GLU 106 -4.631 5.101 5.577 686 1HB GLU 106 1HB GLU 106 -5.600 6.215 3.049 687 2HB GLU 106 2HB GLU 106 -5.957 4.484 3.180 688 1HG GLU 106 1HG GLU 106 -6.628 6.617 5.255 689 2HG GLU 106 2HG GLU 106 -7.786 5.881 4.133 690 HE2 GLU 106 HE2 GLU 106 -6.863 2.763 6.025 691 H GLY 107 H GLY 107 -3.308 3.348 5.965 692 1HA GLY 107 1HA GLY 107 -3.150 1.241 4.157 693 2HA GLY 107 2HA GLY 107 -1.663 2.157 3.994 694 H VAL 108 H VAL 108 -2.289 -0.601 5.175 695 HA VAL 108 HA VAL 108 -1.338 -0.109 7.907 696 HB VAL 108 HB VAL 108 -3.492 -1.392 7.413 697 1HG1 VAL 108 1HG1 VAL 108 -2.609 -2.733 5.533 698 2HG1 VAL 108 2HG1 VAL 108 -1.509 -3.565 6.659 699 3HG1 VAL 108 3HG1 VAL 108 -3.270 -3.751 6.835 700 1HG2 VAL 108 1HG2 VAL 108 -3.083 -1.824 9.570 701 2HG2 VAL 108 2HG2 VAL 108 -2.360 -3.356 9.028 702 3HG2 VAL 108 3HG2 VAL 108 -1.328 -1.932 9.298 703 H ALA 109 H ALA 109 0.713 -0.689 8.474 704 HA ALA 109 HA ALA 109 2.546 -1.371 6.470 705 1HB ALA 109 1HB ALA 109 3.956 -0.690 8.083 706 2HB ALA 109 2HB ALA 109 2.556 -0.505 9.164 707 3HB ALA 109 3HB ALA 109 3.465 -2.035 9.139 708 H ILE 110 H ILE 110 1.906 -3.258 5.358 709 HA ILE 110 HA ILE 110 1.804 -5.680 7.008 710 HB ILE 110 HB ILE 110 0.002 -4.754 5.186 711 1HG1 ILE 110 1HG1 ILE 110 -0.338 -7.507 5.137 712 2HG1 ILE 110 2HG1 ILE 110 0.534 -7.216 6.653 713 1HG2 ILE 110 1HG2 ILE 110 0.138 -5.932 3.151 714 2HG2 ILE 110 2HG2 ILE 110 1.745 -5.207 3.393 715 3HG2 ILE 110 3HG2 ILE 110 1.491 -6.938 3.724 716 1HD1 ILE 110 1HD1 ILE 110 -1.995 -7.101 6.840 717 2HD1 ILE 110 2HD1 ILE 110 -1.154 -5.628 7.385 718 3HD1 ILE 110 3HD1 ILE 110 -1.945 -5.663 5.790 719 H SER 111 H SER 111 3.248 -7.359 6.660 720 HA SER 111 HA SER 111 4.649 -8.011 4.549 721 1HB SER 111 1HB SER 111 6.932 -6.803 5.009 722 2HB SER 111 2HB SER 111 5.691 -5.975 4.053 723 HG SER 111 HG SER 111 6.199 -4.430 5.512 724 H PHE 112 H PHE 112 5.290 -6.916 7.946 725 HA PHE 112 HA PHE 112 5.605 -9.548 8.866 726 1HB PHE 112 1HB PHE 112 7.919 -8.109 7.739 727 2HB PHE 112 2HB PHE 112 8.195 -8.463 9.449 728 HD1 PHE 112 1HD PHE 112 7.871 -10.910 10.186 729 HD2 PHE 112 2HD PHE 112 8.302 -9.734 6.130 730 HE1 PHE 112 1HE PHE 112 8.540 -13.251 9.577 731 HE2 PHE 112 2HE PHE 112 8.973 -12.076 5.522 732 HZ PHE 112 HZ PHE 112 9.083 -13.806 7.253 733 H ASN 113 H ASN 113 6.482 -9.528 11.224 734 HA ASN 113 HA ASN 113 4.996 -7.761 12.664 735 1HB ASN 113 1HB ASN 113 6.687 -9.945 13.185 736 2HB ASN 113 2HB ASN 113 7.437 -8.624 14.092 737 1HD2 ASN 113 1HD2 ASN 113 5.864 -7.245 15.345 738 2HD2 ASN 113 2HD2 ASN 113 4.620 -8.055 16.238 739 6H NCZ 130 6H NCZ 130 2.048 13.744 0.017 740 6H1 NCZ 130 6H1 NCZ 130 -0.093 11.787 -0.267 741 5H1 NCZ 130 5H1 NCZ 130 0.076 12.901 2.127 742 4H1 NCZ 130 4H1 NCZ 130 2.350 11.761 3.185 743 5H NCZ 130 5H NCZ 130 4.457 11.169 0.285 744 3H1 NCZ 130 3H1 NCZ 130 2.946 9.991 1.615 745 2H1 NCZ 130 2H1 NCZ 130 2.225 11.263 -0.839 746 2H NCZ 130 2H NCZ 130 0.359 8.604 -4.044 747 8H NCZ 130 8H NCZ 130 -0.964 5.677 -3.940 748 7H NCZ 130 7H NCZ 130 -1.910 4.547 -1.957 749 3H NCZ 130 3H NCZ 130 -1.258 4.944 2.684 750 1H17 NCZ 130 1H17 NCZ 130 1.235 8.033 4.779 751 2H17 NCZ 130 2H17 NCZ 130 1.961 8.216 3.165 752 3H17 NCZ 130 3H17 NCZ 130 0.336 8.866 3.490 753 1H18 NCZ 130 1H18 NCZ 130 -2.141 3.468 -0.499 754 2H18 NCZ 130 2H18 NCZ 130 -2.110 3.287 1.270 755 3H18 NCZ 130 3H18 NCZ 130 -3.268 4.404 0.512 756 1H NCZ 130 1H NCZ 130 1.268 7.932 1.049 Start of MODEL 3 1 H ALA 1 H ALA 1 -10.193 -7.382 11.474 2 HA ALA 1 HA ALA 1 -7.972 -8.106 11.040 3 1HB ALA 1 1HB ALA 1 -7.261 -8.497 8.695 4 2HB ALA 1 2HB ALA 1 -8.572 -9.596 9.185 5 3HB ALA 1 3HB ALA 1 -8.929 -8.191 8.150 6 H ALA 2 H ALA 2 -8.309 -5.865 12.025 7 HA ALA 2 HA ALA 2 -7.781 -3.719 12.076 8 1HB ALA 2 1HB ALA 2 -5.647 -3.965 11.258 9 2HB ALA 2 2HB ALA 2 -6.197 -4.742 9.753 10 3HB ALA 2 3HB ALA 2 -6.324 -2.976 9.942 11 HA PRO 3 HA PRO 3 -10.876 -1.749 9.784 12 1HB PRO 3 1HB PRO 3 -10.356 0.871 10.354 13 2HB PRO 3 2HB PRO 3 -11.224 -0.200 11.451 14 1HG PRO 3 1HG PRO 3 -8.438 0.763 11.554 15 2HG PRO 3 2HG PRO 3 -9.444 0.089 12.886 16 1HD PRO 3 1HD PRO 3 -7.322 -1.176 11.440 17 2HD PRO 3 2HD PRO 3 -8.384 -1.935 12.634 18 H THR 4 H THR 4 -11.442 -0.301 7.984 19 HA THR 4 HA THR 4 -11.051 0.413 5.916 20 HB THR 4 HB THR 4 -9.399 2.050 5.764 21 HG1 THR 4 1HG THR 4 -7.212 1.493 6.489 22 1HG2 THR 4 1HG2 THR 4 -10.308 1.886 8.316 23 2HG2 THR 4 2HG2 THR 4 -8.601 1.478 8.616 24 3HG2 THR 4 3HG2 THR 4 -9.026 3.030 7.855 25 H ALA 5 H ALA 5 -8.493 0.302 4.421 26 HA ALA 5 HA ALA 5 -8.812 -2.365 3.481 27 1HB ALA 5 1HB ALA 5 -8.325 -0.902 1.761 28 2HB ALA 5 2HB ALA 5 -7.223 0.078 2.760 29 3HB ALA 5 3HB ALA 5 -6.685 -1.494 2.120 30 H THR 6 H THR 6 -7.748 -4.179 4.113 31 HA THR 6 HA THR 6 -5.134 -3.861 5.388 32 HB THR 6 HB THR 6 -6.118 -5.665 7.079 33 HG1 THR 6 1HG THR 6 -8.240 -5.921 6.453 34 1HG2 THR 6 1HG2 THR 6 -6.521 -2.670 7.062 35 2HG2 THR 6 2HG2 THR 6 -7.378 -3.618 8.301 36 3HG2 THR 6 3HG2 THR 6 -5.600 -3.674 8.211 37 H VAL 7 H VAL 7 -3.762 -5.681 5.222 38 HA VAL 7 HA VAL 7 -4.456 -7.321 2.942 39 HB VAL 7 HB VAL 7 -1.940 -6.999 4.589 40 1HG1 VAL 7 1HG1 VAL 7 -2.667 -8.921 2.438 41 2HG1 VAL 7 2HG1 VAL 7 -1.068 -8.149 2.314 42 3HG1 VAL 7 3HG1 VAL 7 -1.498 -9.074 3.773 43 1HG2 VAL 7 1HG2 VAL 7 -3.079 -5.588 2.284 44 2HG2 VAL 7 2HG2 VAL 7 -1.764 -5.114 3.386 45 3HG2 VAL 7 3HG2 VAL 7 -1.422 -6.176 1.999 46 H THR 8 H THR 8 -5.225 -9.372 3.059 47 HA THR 8 HA THR 8 -6.313 -10.566 5.138 48 HB THR 8 HB THR 8 -4.855 -11.546 2.699 49 HG1 THR 8 1HG THR 8 -7.433 -11.828 4.070 50 1HG2 THR 8 1HG2 THR 8 -6.077 -13.486 4.717 51 2HG2 THR 8 2HG2 THR 8 -5.209 -13.879 3.214 52 3HG2 THR 8 3HG2 THR 8 -4.319 -13.223 4.609 53 HA PRO 9 HA PRO 9 -2.438 -12.462 6.907 54 1HB PRO 9 1HB PRO 9 -0.034 -12.318 5.614 55 2HB PRO 9 2HB PRO 9 -1.139 -13.681 5.447 56 1HG PRO 9 1HG PRO 9 -0.590 -11.444 3.601 57 2HG PRO 9 2HG PRO 9 -1.326 -13.048 3.237 58 1HD PRO 9 1HD PRO 9 -2.622 -10.504 3.467 59 2HD PRO 9 2HD PRO 9 -3.409 -12.074 3.265 60 H SER 10 H SER 10 0.248 -11.691 7.344 61 HA SER 10 HA SER 10 0.039 -8.844 7.687 62 1HB SER 10 1HB SER 10 0.749 -9.120 10.142 63 2HB SER 10 2HB SER 10 -0.950 -9.451 9.764 64 HG SER 10 HG SER 10 0.591 -11.036 11.102 65 H SER 11 H SER 11 2.025 -11.455 9.254 66 HA SER 11 HA SER 11 4.336 -10.216 7.986 67 1HB SER 11 1HB SER 11 4.347 -10.190 10.450 68 2HB SER 11 2HB SER 11 4.171 -11.952 10.491 69 HG SER 11 HG SER 11 6.349 -11.658 10.700 70 H GLY 12 H GLY 12 5.990 -11.622 7.048 71 1HA GLY 12 1HA GLY 12 6.817 -13.714 6.412 72 2HA GLY 12 2HA GLY 12 5.259 -14.446 6.739 73 H LEU 13 H LEU 13 5.514 -11.356 4.982 74 HA LEU 13 HA LEU 13 4.273 -12.624 2.700 75 1HB LEU 13 1HB LEU 13 4.994 -9.732 2.872 76 2HB LEU 13 2HB LEU 13 3.642 -10.508 2.033 77 HG LEU 13 HG LEU 13 3.940 -9.746 4.919 78 1HD1 LEU 13 1HD1 LEU 13 2.810 -8.285 3.211 79 2HD1 LEU 13 2HD1 LEU 13 1.556 -9.540 3.065 80 3HD1 LEU 13 3HD1 LEU 13 1.814 -8.717 4.622 81 1HD2 LEU 13 1HD2 LEU 13 3.122 -11.689 5.634 82 2HD2 LEU 13 2HD2 LEU 13 1.594 -11.228 4.842 83 3HD2 LEU 13 3HD2 LEU 13 2.774 -12.246 3.980 84 H SER 14 H SER 14 5.096 -12.003 0.451 85 HA SER 14 HA SER 14 8.010 -11.917 0.515 86 1HB SER 14 1HB SER 14 6.753 -14.188 -0.058 87 2HB SER 14 2HB SER 14 6.579 -13.441 -1.658 88 HG SER 14 HG SER 14 8.650 -13.827 -2.042 89 H ASP 15 H ASP 15 8.965 -11.120 -1.616 90 HA ASP 15 HA ASP 15 7.726 -8.755 -2.336 91 1HB ASP 15 1HB ASP 15 9.430 -8.872 -4.289 92 2HB ASP 15 2HB ASP 15 10.075 -8.854 -2.642 93 HD2 ASP 15 HD2 ASP 15 11.031 -11.781 -4.990 94 H GLY 16 H GLY 16 5.533 -10.037 -2.787 95 1HA GLY 16 1HA GLY 16 4.440 -9.763 -5.095 96 2HA GLY 16 2HA GLY 16 5.481 -11.105 -5.533 97 H THR 17 H THR 17 3.861 -10.552 -2.353 98 HA THR 17 HA THR 17 2.629 -13.183 -2.628 99 HB THR 17 HB THR 17 3.382 -11.292 -0.392 100 HG1 THR 17 1HG THR 17 4.645 -13.183 -1.228 101 1HG2 THR 17 1HG2 THR 17 2.077 -12.569 1.220 102 2HG2 THR 17 2HG2 THR 17 0.935 -11.988 -0.015 103 3HG2 THR 17 3HG2 THR 17 1.498 -13.676 -0.046 104 H VAL 18 H VAL 18 0.649 -13.401 -3.438 105 HA VAL 18 HA VAL 18 -1.020 -11.111 -3.749 106 HB VAL 18 HB VAL 18 -1.968 -13.926 -4.103 107 1HG1 VAL 18 1HG1 VAL 18 -2.242 -11.841 -6.204 108 2HG1 VAL 18 2HG1 VAL 18 -3.419 -13.033 -5.605 109 3HG1 VAL 18 3HG1 VAL 18 -3.106 -11.547 -4.677 110 1HG2 VAL 18 1HG2 VAL 18 -0.800 -13.542 -6.498 111 2HG2 VAL 18 2HG2 VAL 18 0.375 -12.694 -5.464 112 3HG2 VAL 18 3HG2 VAL 18 -0.010 -14.405 -5.157 113 H VAL 19 H VAL 19 -2.605 -10.354 -2.420 114 HA VAL 19 HA VAL 19 -3.709 -12.162 -0.432 115 HB VAL 19 HB VAL 19 -3.350 -10.407 1.329 116 1HG1 VAL 19 1HG1 VAL 19 -1.052 -11.961 0.126 117 2HG1 VAL 19 2HG1 VAL 19 -0.872 -11.035 1.635 118 3HG1 VAL 19 3HG1 VAL 19 -2.055 -12.361 1.542 119 1HG2 VAL 19 1HG2 VAL 19 -2.658 -8.412 0.538 120 2HG2 VAL 19 2HG2 VAL 19 -1.035 -9.140 0.605 121 3HG2 VAL 19 3HG2 VAL 19 -1.942 -9.124 -0.927 122 H LYS 20 H LYS 20 -5.621 -11.053 0.707 123 HA LYS 20 HA LYS 20 -7.015 -9.491 -1.331 124 1HB LYS 20 1HB LYS 20 -7.909 -11.692 -0.447 125 2HB LYS 20 2HB LYS 20 -8.226 -10.853 1.083 126 1HG LYS 20 1HG LYS 20 -9.691 -9.267 -0.041 127 2HG LYS 20 2HG LYS 20 -9.269 -9.923 -1.633 128 1HD LYS 20 1HD LYS 20 -10.127 -12.164 -0.216 129 2HD LYS 20 2HD LYS 20 -11.217 -10.893 0.365 130 1HE LYS 20 1HE LYS 20 -11.685 -10.301 -2.044 131 2HE LYS 20 2HE LYS 20 -10.716 -11.696 -2.539 132 1HZ LYS 20 1HZ LYS 20 -12.382 -12.769 -0.778 133 2HZ LYS 20 2HZ LYS 20 -13.340 -11.604 -1.403 134 3HZ LYS 20 3HZ LYS 20 -12.668 -12.722 -2.385 135 H VAL 21 H VAL 21 -7.365 -7.351 -1.069 136 HA VAL 21 HA VAL 21 -6.702 -6.239 1.552 137 HB VAL 21 HB VAL 21 -7.126 -4.727 -1.018 138 1HG1 VAL 21 1HG1 VAL 21 -6.892 -3.701 1.400 139 2HG1 VAL 21 2HG1 VAL 21 -5.159 -4.012 1.133 140 3HG1 VAL 21 3HG1 VAL 21 -6.057 -2.960 0.014 141 1HG2 VAL 21 1HG2 VAL 21 -5.334 -5.681 -1.938 142 2HG2 VAL 21 2HG2 VAL 21 -4.349 -5.051 -0.596 143 3HG2 VAL 21 3HG2 VAL 21 -5.068 -6.675 -0.488 144 H ALA 22 H ALA 22 -8.577 -6.542 2.768 145 HA ALA 22 HA ALA 22 -11.104 -5.749 1.583 146 1HB ALA 22 1HB ALA 22 -10.438 -6.837 4.348 147 2HB ALA 22 2HB ALA 22 -12.059 -6.692 3.626 148 3HB ALA 22 3HB ALA 22 -10.877 -7.831 2.938 149 H GLY 23 H GLY 23 -11.846 -3.694 1.711 150 1HA GLY 23 1HA GLY 23 -10.695 -1.965 3.814 151 2HA GLY 23 2HA GLY 23 -11.244 -1.428 2.239 152 H ALA 24 H ALA 24 -12.183 -2.315 5.517 153 HA ALA 24 HA ALA 24 -15.005 -1.942 4.853 154 1HB ALA 24 1HB ALA 24 -13.526 -3.603 6.671 155 2HB ALA 24 2HB ALA 24 -14.577 -2.524 7.618 156 3HB ALA 24 3HB ALA 24 -15.279 -3.576 6.366 157 H GLY 25 H GLY 25 -15.474 0.221 4.718 158 1HA GLY 25 1HA GLY 25 -16.139 2.107 5.974 159 2HA GLY 25 2HA GLY 25 -14.811 1.839 7.086 160 H LEU 26 H LEU 26 -13.969 1.306 3.753 161 HA LEU 26 HA LEU 26 -12.308 3.663 3.821 162 1HB LEU 26 1HB LEU 26 -11.900 1.165 2.956 163 2HB LEU 26 2HB LEU 26 -12.400 1.919 1.433 164 HG LEU 26 HG LEU 26 -10.093 2.103 1.386 165 1HD1 LEU 26 1HD1 LEU 26 -10.591 4.231 0.775 166 2HD1 LEU 26 2HD1 LEU 26 -11.429 4.598 2.302 167 3HD1 LEU 26 3HD1 LEU 26 -9.650 4.596 2.243 168 1HD2 LEU 26 1HD2 LEU 26 -9.746 3.196 4.144 169 2HD2 LEU 26 2HD2 LEU 26 -10.046 1.453 3.952 170 3HD2 LEU 26 3HD2 LEU 26 -8.648 2.209 3.150 171 H GLN 27 H GLN 27 -12.514 3.647 0.714 172 HA GLN 27 HA GLN 27 -13.988 5.897 0.463 173 1HB GLN 27 1HB GLN 27 -13.271 3.710 -1.503 174 2HB GLN 27 2HB GLN 27 -14.172 5.143 -2.031 175 1HG GLN 27 1HG GLN 27 -11.374 4.966 -0.877 176 2HG GLN 27 2HG GLN 27 -11.878 5.680 -2.415 177 1HE2 GLN 27 1HE2 GLN 27 -11.273 6.145 0.898 178 2HE2 GLN 27 2HE2 GLN 27 -11.754 7.802 1.050 179 H ALA 28 H ALA 28 -16.002 5.840 1.558 180 HA ALA 28 HA ALA 28 -17.874 3.804 1.318 181 1HB ALA 28 1HB ALA 28 -19.320 5.287 2.449 182 2HB ALA 28 2HB ALA 28 -17.697 5.810 2.957 183 3HB ALA 28 3HB ALA 28 -18.576 6.723 1.708 184 H GLY 29 H GLY 29 -17.875 3.166 -0.938 185 1HA GLY 29 1HA GLY 29 -18.989 3.086 -2.905 186 2HA GLY 29 2HA GLY 29 -19.892 4.520 -2.453 187 H THR 30 H THR 30 -16.570 5.121 -1.978 188 HA THR 30 HA THR 30 -16.499 6.694 -4.433 189 HB THR 30 HB THR 30 -14.188 6.997 -2.710 190 HG1 THR 30 1HG THR 30 -15.364 7.299 -0.730 191 1HG2 THR 30 1HG2 THR 30 -15.303 9.231 -2.220 192 2HG2 THR 30 2HG2 THR 30 -15.127 8.895 -3.959 193 3HG2 THR 30 3HG2 THR 30 -16.705 8.679 -3.165 194 H ALA 31 H ALA 31 -13.927 6.897 -5.131 195 HA ALA 31 HA ALA 31 -12.958 4.157 -5.468 196 1HB ALA 31 1HB ALA 31 -14.464 5.107 -7.415 197 2HB ALA 31 2HB ALA 31 -13.006 6.041 -7.820 198 3HB ALA 31 3HB ALA 31 -12.943 4.263 -7.795 199 H TYR 32 H TYR 32 -10.949 4.180 -4.599 200 HA TYR 32 HA TYR 32 -9.347 6.608 -5.044 201 1HB TYR 32 1HB TYR 32 -9.889 4.693 -2.768 202 2HB TYR 32 2HB TYR 32 -8.223 5.268 -2.900 203 HD1 TYR 32 1HD TYR 32 -8.569 6.264 -0.618 204 HD2 TYR 32 2HD TYR 32 -10.815 7.549 -4.025 205 HE1 TYR 32 1HE TYR 32 -9.226 8.392 0.611 206 HE2 TYR 32 2HE TYR 32 -11.464 9.672 -2.786 207 HH TYR 32 HH TYR 32 -11.655 10.505 -0.621 208 H ASP 33 H ASP 33 -6.880 6.071 -4.826 209 HA ASP 33 HA ASP 33 -6.428 3.963 -6.712 210 1HB ASP 33 1HB ASP 33 -5.036 6.378 -5.747 211 2HB ASP 33 2HB ASP 33 -3.937 5.013 -5.995 212 HD2 ASP 33 HD2 ASP 33 -4.662 5.059 -9.482 213 H VAL 34 H VAL 34 -5.724 1.915 -6.071 214 HA VAL 34 HA VAL 34 -5.091 1.521 -3.280 215 HB VAL 34 HB VAL 34 -6.403 0.078 -5.249 216 1HG1 VAL 34 1HG1 VAL 34 -3.983 -1.563 -4.495 217 2HG1 VAL 34 2HG1 VAL 34 -5.211 -1.881 -5.744 218 3HG1 VAL 34 3HG1 VAL 34 -4.016 -0.584 -5.981 219 1HG2 VAL 34 1HG2 VAL 34 -7.200 -0.418 -3.190 220 2HG2 VAL 34 2HG2 VAL 34 -6.059 -1.780 -3.296 221 3HG2 VAL 34 3HG2 VAL 34 -5.598 -0.299 -2.423 222 H GLY 35 H GLY 35 -3.090 0.911 -2.444 223 1HA GLY 35 1HA GLY 35 -0.917 -0.097 -3.730 224 2HA GLY 35 2HA GLY 35 -0.808 1.623 -4.045 225 H GLN 36 H GLN 36 0.841 -0.281 -2.301 226 HA GLN 36 HA GLN 36 0.297 0.814 0.313 227 1HB GLN 36 1HB GLN 36 1.895 -0.808 1.134 228 2HB GLN 36 2HB GLN 36 0.808 -1.631 0.001 229 1HG GLN 36 1HG GLN 36 3.397 -0.432 -0.992 230 2HG GLN 36 2HG GLN 36 3.430 -1.993 -0.156 231 1HE2 GLN 36 1HE2 GLN 36 4.016 -1.252 -2.939 232 2HE2 GLN 36 2HE2 GLN 36 2.995 -2.220 -3.948 233 H CYS 37 H CYS 37 1.282 2.657 1.011 234 HA CYS 37 HA CYS 37 3.736 3.427 -0.386 235 1HB CYS 37 1HB CYS 37 1.520 4.853 -0.350 236 2HB CYS 37 2HB CYS 37 2.139 5.376 1.219 237 H ALA 38 H ALA 38 5.456 4.405 0.986 238 HA ALA 38 HA ALA 38 5.235 4.350 3.806 239 1HB ALA 38 1HB ALA 38 5.468 2.067 3.943 240 2HB ALA 38 2HB ALA 38 6.300 1.947 2.375 241 3HB ALA 38 3HB ALA 38 7.189 2.504 3.813 242 H TRP 39 H TRP 39 7.200 5.187 4.816 243 HA TRP 39 HA TRP 39 8.540 7.010 3.117 244 1HB TRP 39 1HB TRP 39 9.908 7.399 5.228 245 2HB TRP 39 2HB TRP 39 8.184 7.773 5.274 246 HD1 TRP 39 HD TRP 39 6.631 6.062 6.780 247 HE1 TRP 39 1HE TRP 39 7.137 4.453 8.811 248 HE3 TRP 39 3HE TRP 39 11.668 5.928 6.098 249 HZ2 TRP 39 2HZ TRP 39 9.533 3.332 9.879 250 HZ3 TRP 39 3HZ TRP 39 13.019 4.552 7.679 251 HH2 TRP 39 HH TRP 39 12.029 3.284 9.518 252 H VAL 40 H VAL 40 9.964 6.248 1.592 253 HA VAL 40 HA VAL 40 11.570 3.918 2.244 254 HB VAL 40 HB VAL 40 10.276 4.698 -0.001 255 1HG1 VAL 40 1HG1 VAL 40 11.702 6.591 -0.469 256 2HG1 VAL 40 2HG1 VAL 40 13.162 5.580 -0.335 257 3HG1 VAL 40 3HG1 VAL 40 12.019 5.322 -1.676 258 1HG2 VAL 40 1HG2 VAL 40 12.675 3.162 -0.676 259 2HG2 VAL 40 2HG2 VAL 40 11.885 2.587 0.812 260 3HG2 VAL 40 3HG2 VAL 40 10.962 2.682 -0.706 261 H ASP 41 H ASP 41 11.931 7.409 1.370 262 HA ASP 41 HA ASP 41 14.756 7.214 1.768 263 1HB ASP 41 1HB ASP 41 13.083 8.866 0.296 264 2HB ASP 41 2HB ASP 41 13.531 9.915 1.650 265 HD2 ASP 41 HD2 ASP 41 15.940 10.151 -1.123 266 H THR 42 H THR 42 15.255 9.763 3.015 267 HA THR 42 HA THR 42 14.957 9.109 5.731 268 HB THR 42 HB THR 42 15.812 11.581 4.162 269 HG1 THR 42 1HG THR 42 17.326 9.867 4.180 270 1HG2 THR 42 1HG2 THR 42 16.008 11.089 7.181 271 2HG2 THR 42 2HG2 THR 42 16.737 12.449 6.294 272 3HG2 THR 42 3HG2 THR 42 14.967 12.317 6.422 273 H GLY 43 H GLY 43 12.655 8.622 5.897 274 1HA GLY 43 1HA GLY 43 10.633 9.177 6.712 275 2HA GLY 43 2HA GLY 43 11.233 10.793 7.022 276 H VAL 44 H VAL 44 11.492 9.456 3.752 277 HA VAL 44 HA VAL 44 9.492 11.416 2.901 278 HB VAL 44 HB VAL 44 11.583 9.940 1.291 279 1HG1 VAL 44 1HG1 VAL 44 9.500 10.900 0.138 280 2HG1 VAL 44 2HG1 VAL 44 10.158 12.502 0.552 281 3HG1 VAL 44 3HG1 VAL 44 11.088 11.401 -0.492 282 1HG2 VAL 44 1HG2 VAL 44 11.677 12.697 2.557 283 2HG2 VAL 44 2HG2 VAL 44 12.721 11.304 2.926 284 3HG2 VAL 44 3HG2 VAL 44 12.833 12.102 1.340 285 H LEU 45 H LEU 45 7.474 10.543 2.846 286 HA LEU 45 HA LEU 45 6.946 7.829 2.634 287 1HB LEU 45 1HB LEU 45 5.363 10.334 2.259 288 2HB LEU 45 2HB LEU 45 4.635 8.763 1.883 289 HG LEU 45 HG LEU 45 5.946 9.086 4.542 290 1HD1 LEU 45 1HD1 LEU 45 3.581 10.665 3.643 291 2HD1 LEU 45 2HD1 LEU 45 3.550 9.957 5.275 292 3HD1 LEU 45 3HD1 LEU 45 4.860 11.071 4.813 293 1HD2 LEU 45 1HD2 LEU 45 5.010 7.070 4.688 294 2HD2 LEU 45 2HD2 LEU 45 3.452 7.920 4.840 295 3HD2 LEU 45 3HD2 LEU 45 3.999 7.345 3.248 296 H ALA 46 H ALA 46 8.006 6.748 0.976 297 HA ALA 46 HA ALA 46 7.511 7.752 -1.732 298 1HB ALA 46 1HB ALA 46 9.679 7.241 -2.022 299 2HB ALA 46 2HB ALA 46 9.771 6.598 -0.364 300 3HB ALA 46 3HB ALA 46 9.298 5.530 -1.706 301 H CYS 47 H CYS 47 6.209 6.640 -3.142 302 HA CYS 47 HA CYS 47 4.912 4.287 -2.035 303 1HB CYS 47 1HB CYS 47 4.177 5.871 -4.497 304 2HB CYS 47 2HB CYS 47 3.205 4.629 -3.702 305 H ASN 48 H ASN 48 4.635 2.358 -3.468 306 HA ASN 48 HA ASN 48 7.056 1.933 -4.941 307 1HB ASN 48 1HB ASN 48 4.800 -0.079 -4.712 308 2HB ASN 48 2HB ASN 48 6.541 -0.387 -4.776 309 1HD2 ASN 48 1HD2 ASN 48 7.148 1.766 -2.896 310 2HD2 ASN 48 2HD2 ASN 48 6.723 1.204 -1.315 311 HA PRO 49 HA PRO 49 5.102 2.043 -8.871 312 1HB PRO 49 1HB PRO 49 6.177 -0.051 -10.257 313 2HB PRO 49 2HB PRO 49 7.023 1.473 -10.006 314 1HG PRO 49 1HG PRO 49 7.389 -1.139 -8.687 315 2HG PRO 49 2HG PRO 49 8.538 0.242 -8.778 316 1HD PRO 49 1HD PRO 49 6.941 -0.599 -6.555 317 2HD PRO 49 2HD PRO 49 7.936 0.861 -6.648 318 H ALA 50 H ALA 50 4.453 -0.496 -6.830 319 HA ALA 50 HA ALA 50 2.353 -1.468 -8.632 320 1HB ALA 50 1HB ALA 50 4.218 -2.935 -7.411 321 2HB ALA 50 2HB ALA 50 3.074 -2.823 -6.053 322 3HB ALA 50 3HB ALA 50 2.549 -3.526 -7.601 323 H ASP 51 H ASP 51 2.682 1.020 -6.643 324 HA ASP 51 HA ASP 51 0.499 0.438 -4.873 325 1HB ASP 51 1HB ASP 51 2.085 1.777 -3.809 326 2HB ASP 51 2HB ASP 51 2.456 2.698 -5.274 327 HD2 ASP 51 HD2 ASP 51 -0.286 4.022 -2.779 328 H PHE 52 H PHE 52 0.681 1.041 -8.089 329 HA PHE 52 HA PHE 52 -1.472 3.028 -8.111 330 1HB PHE 52 1HB PHE 52 0.153 1.922 -10.453 331 2HB PHE 52 2HB PHE 52 -0.690 3.473 -10.378 332 HD1 PHE 52 1HD PHE 52 2.381 2.394 -10.816 333 HD2 PHE 52 2HD PHE 52 0.273 4.610 -7.875 334 HE1 PHE 52 1HE PHE 52 4.520 3.507 -10.122 335 HE2 PHE 52 2HE PHE 52 2.412 5.724 -7.181 336 HZ PHE 52 HZ PHE 52 4.510 5.159 -8.313 337 H SER 53 H SER 53 -3.227 1.605 -7.616 338 HA SER 53 HA SER 53 -4.022 0.075 -9.911 339 1HB SER 53 1HB SER 53 -2.885 -1.200 -7.621 340 2HB SER 53 2HB SER 53 -4.621 -1.559 -7.604 341 HG SER 53 HG SER 53 -3.996 -1.934 -10.106 342 H SER 54 H SER 54 -5.648 1.750 -10.077 343 HA SER 54 HA SER 54 -7.144 2.880 -8.256 344 1HB SER 54 1HB SER 54 -7.476 3.294 -10.614 345 2HB SER 54 2HB SER 54 -8.107 1.660 -10.875 346 HG SER 54 HG SER 54 -9.961 2.204 -9.628 347 H VAL 55 H VAL 55 -9.188 2.467 -7.133 348 HA VAL 55 HA VAL 55 -10.276 -0.181 -7.190 349 HB VAL 55 HB VAL 55 -8.259 -0.438 -5.771 350 1HG1 VAL 55 1HG1 VAL 55 -7.745 1.362 -4.511 351 2HG1 VAL 55 2HG1 VAL 55 -9.433 1.923 -4.442 352 3HG1 VAL 55 3HG1 VAL 55 -8.875 0.644 -3.337 353 1HG2 VAL 55 1HG2 VAL 55 -10.338 -1.813 -5.485 354 2HG2 VAL 55 2HG2 VAL 55 -9.348 -1.666 -4.014 355 3HG2 VAL 55 3HG2 VAL 55 -10.833 -0.702 -4.186 356 H THR 56 H THR 56 -12.288 -0.304 -5.917 357 HA THR 56 HA THR 56 -13.246 2.284 -4.948 358 HB THR 56 HB THR 56 -13.939 1.048 -7.492 359 HG1 THR 56 1HG THR 56 -14.880 3.169 -7.612 360 1HG2 THR 56 1HG2 THR 56 -15.788 -0.077 -6.239 361 2HG2 THR 56 2HG2 THR 56 -16.224 1.480 -5.496 362 3HG2 THR 56 3HG2 THR 56 -16.421 1.246 -7.249 363 H ALA 57 H ALA 57 -14.729 2.180 -3.280 364 HA ALA 57 HA ALA 57 -15.118 -0.542 -2.246 365 1HB ALA 57 1HB ALA 57 -15.689 1.466 -0.292 366 2HB ALA 57 2HB ALA 57 -14.334 0.312 -0.324 367 3HB ALA 57 3HB ALA 57 -14.161 1.909 -1.090 368 H ASP 58 H ASP 58 -17.201 -1.208 -1.573 369 HA ASP 58 HA ASP 58 -19.277 -0.251 -3.086 370 1HB ASP 58 1HB ASP 58 -19.766 -1.548 -0.403 371 2HB ASP 58 2HB ASP 58 -20.620 -1.819 -1.929 372 HD2 ASP 58 HD2 ASP 58 -18.552 -4.700 -1.317 373 H ALA 59 H ALA 59 -21.383 0.751 -2.207 374 HA ALA 59 HA ALA 59 -21.074 3.195 -1.156 375 1HB ALA 59 1HB ALA 59 -23.257 1.247 -1.445 376 2HB ALA 59 2HB ALA 59 -23.523 2.397 -0.112 377 3HB ALA 59 3HB ALA 59 -23.240 2.997 -1.764 378 H ASN 60 H ASN 60 -21.074 0.094 0.595 379 HA ASN 60 HA ASN 60 -21.176 1.445 3.119 380 1HB ASN 60 1HB ASN 60 -21.941 -1.059 2.285 381 2HB ASN 60 2HB ASN 60 -20.367 -1.435 3.000 382 1HD2 ASN 60 1HD2 ASN 60 -23.254 -1.930 3.753 383 2HD2 ASN 60 2HD2 ASN 60 -23.398 -1.418 5.401 384 H GLY 61 H GLY 61 -18.960 2.176 1.357 385 1HA GLY 61 1HA GLY 61 -16.703 2.243 1.214 386 2HA GLY 61 2HA GLY 61 -16.795 2.260 2.963 387 H SER 62 H SER 62 -17.660 -0.407 0.669 388 HA SER 62 HA SER 62 -15.777 -2.054 2.143 389 1HB SER 62 1HB SER 62 -17.515 -3.422 0.207 390 2HB SER 62 2HB SER 62 -17.270 -3.756 1.932 391 HG SER 62 HG SER 62 -19.471 -2.907 1.004 392 H ALA 63 H ALA 63 -13.782 -1.689 1.118 393 HA ALA 63 HA ALA 63 -13.754 -2.038 -1.795 394 1HB ALA 63 1HB ALA 63 -12.211 -0.401 0.165 395 2HB ALA 63 2HB ALA 63 -11.298 -1.074 -1.206 396 3HB ALA 63 3HB ALA 63 -12.702 -0.024 -1.502 397 H SER 64 H SER 64 -13.970 -4.392 -1.550 398 HA SER 64 HA SER 64 -11.725 -5.651 -0.242 399 1HB SER 64 1HB SER 64 -13.023 -7.776 -0.928 400 2HB SER 64 2HB SER 64 -13.769 -6.728 0.294 401 HG SER 64 HG SER 64 -15.418 -6.402 -1.028 402 H THR 65 H THR 65 -10.136 -4.824 -1.853 403 HA THR 65 HA THR 65 -10.339 -6.229 -4.435 404 HB THR 65 HB THR 65 -9.116 -3.580 -3.546 405 HG1 THR 65 1HG THR 65 -11.385 -3.923 -4.379 406 1HG2 THR 65 1HG2 THR 65 -7.928 -3.376 -5.589 407 2HG2 THR 65 2HG2 THR 65 -7.578 -5.060 -5.128 408 3HG2 THR 65 3HG2 THR 65 -8.826 -4.712 -6.350 409 H SER 66 H SER 66 -8.713 -7.560 -5.143 410 HA SER 66 HA SER 66 -6.831 -8.254 -3.055 411 1HB SER 66 1HB SER 66 -6.571 -10.358 -4.178 412 2HB SER 66 2HB SER 66 -8.309 -10.007 -4.146 413 HG SER 66 HG SER 66 -7.265 -10.785 -6.242 414 H LEU 67 H LEU 67 -4.589 -8.032 -3.312 415 HA LEU 67 HA LEU 67 -3.578 -7.374 -5.949 416 1HB LEU 67 1HB LEU 67 -4.213 -5.375 -4.092 417 2HB LEU 67 2HB LEU 67 -2.448 -5.534 -4.048 418 HG LEU 67 HG LEU 67 -2.685 -5.407 -6.666 419 1HD1 LEU 67 1HD1 LEU 67 -4.711 -3.524 -6.771 420 2HD1 LEU 67 2HD1 LEU 67 -4.785 -5.193 -7.381 421 3HD1 LEU 67 3HD1 LEU 67 -5.393 -4.813 -5.752 422 1HD2 LEU 67 1HD2 LEU 67 -2.714 -2.822 -6.408 423 2HD2 LEU 67 2HD2 LEU 67 -2.749 -3.169 -4.662 424 3HD2 LEU 67 3HD2 LEU 67 -1.402 -3.765 -5.661 425 H THR 68 H THR 68 -1.043 -7.144 -5.751 426 HA THR 68 HA THR 68 -0.192 -9.306 -3.945 427 HB THR 68 HB THR 68 0.654 -8.355 -6.713 428 HG1 THR 68 1HG THR 68 -0.998 -10.035 -6.369 429 1HG2 THR 68 1HG2 THR 68 2.162 -10.179 -4.768 430 2HG2 THR 68 2HG2 THR 68 2.437 -10.174 -6.526 431 3HG2 THR 68 3HG2 THR 68 2.793 -8.719 -5.566 432 H VAL 69 H VAL 69 1.264 -8.957 -2.368 433 HA VAL 69 HA VAL 69 2.126 -6.220 -2.018 434 HB VAL 69 HB VAL 69 1.160 -7.431 -0.158 435 1HG1 VAL 69 1HG1 VAL 69 1.585 -9.573 0.299 436 2HG1 VAL 69 2HG1 VAL 69 2.620 -9.621 -1.150 437 3HG1 VAL 69 3HG1 VAL 69 3.331 -9.253 0.441 438 1HG2 VAL 69 1HG2 VAL 69 3.543 -5.986 -0.110 439 2HG2 VAL 69 2HG2 VAL 69 2.492 -6.350 1.279 440 3HG2 VAL 69 3HG2 VAL 69 3.876 -7.406 0.909 441 H ARG 70 H ARG 70 3.693 -5.841 -3.619 442 HA ARG 70 HA ARG 70 5.829 -7.733 -3.837 443 1HB ARG 70 1HB ARG 70 5.157 -5.115 -5.234 444 2HB ARG 70 2HB ARG 70 6.681 -5.963 -5.544 445 1HG ARG 70 1HG ARG 70 4.648 -7.928 -5.718 446 2HG ARG 70 2HG ARG 70 4.010 -6.516 -6.579 447 1HD ARG 70 1HD ARG 70 5.771 -6.528 -8.145 448 2HD ARG 70 2HD ARG 70 6.850 -7.450 -7.086 449 HE ARG 70 HE ARG 70 4.653 -9.126 -7.593 450 1HH1 ARG 70 1HH1 ARG 70 7.129 -7.518 -9.506 451 2HH1 ARG 70 2HH1 ARG 70 7.124 -8.718 -10.757 452 1HH2 ARG 70 1HH2 ARG 70 4.646 -10.711 -9.241 453 2HH2 ARG 70 2HH2 ARG 70 5.704 -10.545 -10.604 454 H ARG 71 H ARG 71 6.463 -7.361 -1.478 455 HA ARG 71 HA ARG 71 7.168 -5.129 -0.302 456 1HB ARG 71 1HB ARG 71 7.501 -7.580 0.450 457 2HB ARG 71 2HB ARG 71 9.098 -7.489 -0.309 458 1HG ARG 71 1HG ARG 71 9.814 -5.769 1.188 459 2HG ARG 71 2HG ARG 71 8.163 -5.451 1.750 460 1HD ARG 71 1HD ARG 71 9.584 -6.762 3.374 461 2HD ARG 71 2HD ARG 71 8.091 -7.596 2.911 462 HE ARG 71 HE ARG 71 9.894 -8.550 1.077 463 1HH1 ARG 71 1HH1 ARG 71 10.011 -8.279 4.583 464 2HH1 ARG 71 2HH1 ARG 71 11.049 -9.650 4.783 465 1HH2 ARG 71 1HH2 ARG 71 11.263 -10.361 1.339 466 2HH2 ARG 71 2HH2 ARG 71 11.767 -10.843 2.925 467 H SER 72 H SER 72 8.944 -6.724 -2.968 468 HA SER 72 HA SER 72 10.998 -4.687 -2.787 469 1HB SER 72 1HB SER 72 10.770 -7.380 -4.105 470 2HB SER 72 2HB SER 72 11.912 -6.207 -4.785 471 HG SER 72 HG SER 72 13.240 -6.593 -3.155 472 H PHE 73 H PHE 73 11.539 -3.355 -4.661 473 HA PHE 73 HA PHE 73 10.543 -3.394 -7.130 474 1HB PHE 73 1HB PHE 73 8.550 -1.655 -6.687 475 2HB PHE 73 2HB PHE 73 8.237 -3.387 -6.532 476 HD1 PHE 73 1HD PHE 73 6.337 -2.983 -5.067 477 HD2 PHE 73 2HD PHE 73 10.217 -1.624 -4.015 478 HE1 PHE 73 1HE PHE 73 5.567 -2.616 -2.708 479 HE2 PHE 73 2HE PHE 73 9.448 -1.258 -1.655 480 HZ PHE 73 HZ PHE 73 7.132 -1.758 -1.027 481 H GLU 74 H GLU 74 9.907 -0.824 -7.845 482 HA GLU 74 HA GLU 74 12.210 0.596 -6.792 483 1HB GLU 74 1HB GLU 74 11.934 0.104 -9.284 484 2HB GLU 74 2HB GLU 74 10.612 1.287 -9.289 485 1HG GLU 74 1HG GLU 74 12.109 2.958 -9.456 486 2HG GLU 74 2HG GLU 74 12.864 2.463 -7.931 487 HE2 GLU 74 HE2 GLU 74 14.429 0.977 -11.298 488 H GLY 75 H GLY 75 11.503 1.687 -4.953 489 1HA GLY 75 1HA GLY 75 8.934 2.824 -4.682 490 2HA GLY 75 2HA GLY 75 10.342 3.133 -3.683 491 H PHE 76 H PHE 76 8.497 5.184 -4.361 492 HA PHE 76 HA PHE 76 10.289 6.917 -5.866 493 1HB PHE 76 1HB PHE 76 7.348 6.249 -6.360 494 2HB PHE 76 2HB PHE 76 7.996 7.807 -6.886 495 HD1 PHE 76 1HD PHE 76 9.219 7.973 -8.892 496 HD2 PHE 76 2HD PHE 76 8.345 4.139 -7.293 497 HE1 PHE 76 1HE PHE 76 10.022 6.902 -11.017 498 HE2 PHE 76 2HE PHE 76 9.148 3.070 -9.417 499 HZ PHE 76 HZ PHE 76 9.974 4.465 -11.254 500 H LEU 77 H LEU 77 10.627 8.773 -4.739 501 HA LEU 77 HA LEU 77 9.451 9.257 -2.297 502 1HB LEU 77 1HB LEU 77 10.688 11.268 -4.167 503 2HB LEU 77 2HB LEU 77 10.505 11.424 -2.409 504 HG LEU 77 HG LEU 77 12.363 9.641 -3.980 505 1HD1 LEU 77 1HD1 LEU 77 12.677 12.163 -2.886 506 2HD1 LEU 77 2HD1 LEU 77 13.407 11.089 -1.670 507 3HD1 LEU 77 3HD1 LEU 77 13.978 11.043 -3.354 508 1HD2 LEU 77 1HD2 LEU 77 11.545 8.114 -2.393 509 2HD2 LEU 77 2HD2 LEU 77 13.055 8.742 -1.693 510 3HD2 LEU 77 3HD2 LEU 77 11.486 9.344 -1.106 511 H PHE 78 H PHE 78 8.041 11.114 -1.636 512 HA PHE 78 HA PHE 78 5.666 11.043 -3.184 513 1HB PHE 78 1HB PHE 78 4.794 12.194 -1.272 514 2HB PHE 78 2HB PHE 78 6.140 11.277 -0.585 515 HD1 PHE 78 1HD PHE 78 5.214 14.623 -1.913 516 HD2 PHE 78 2HD PHE 78 7.852 12.393 0.552 517 HE1 PHE 78 1HE PHE 78 6.198 16.758 -1.033 518 HE2 PHE 78 2HE PHE 78 8.838 14.528 1.428 519 HZ PHE 78 HZ PHE 78 7.999 16.685 0.627 520 H ASP 79 H ASP 79 8.400 13.300 -2.799 521 HA ASP 79 HA ASP 79 7.243 15.591 -3.684 522 1HB ASP 79 1HB ASP 79 9.988 14.776 -4.652 523 2HB ASP 79 2HB ASP 79 9.446 16.365 -4.093 524 HD2 ASP 79 HD2 ASP 79 10.565 13.678 -1.378 525 H GLY 80 H GLY 80 8.907 12.959 -5.571 526 1HA GLY 80 1HA GLY 80 7.277 12.662 -7.667 527 2HA GLY 80 2HA GLY 80 8.111 14.141 -8.103 528 H THR 81 H THR 81 10.576 13.187 -6.488 529 HA THR 81 HA THR 81 11.841 11.882 -8.701 530 HB THR 81 HB THR 81 12.795 12.606 -5.880 531 HG1 THR 81 1HG THR 81 13.114 13.831 -8.526 532 1HG2 THR 81 1HG2 THR 81 14.103 11.057 -7.864 533 2HG2 THR 81 2HG2 THR 81 14.735 12.707 -8.082 534 3HG2 THR 81 3HG2 THR 81 14.881 11.898 -6.503 535 H ARG 82 H ARG 82 12.838 9.820 -8.754 536 HA ARG 82 HA ARG 82 11.316 7.937 -7.208 537 1HB ARG 82 1HB ARG 82 11.532 7.516 -9.602 538 2HB ARG 82 2HB ARG 82 13.301 7.601 -9.511 539 1HG ARG 82 1HG ARG 82 12.395 5.665 -7.595 540 2HG ARG 82 2HG ARG 82 11.586 5.317 -9.134 541 1HD ARG 82 1HD ARG 82 14.506 5.952 -9.266 542 2HD ARG 82 2HD ARG 82 14.083 4.411 -8.506 543 HE ARG 82 HE ARG 82 12.576 4.558 -10.879 544 1HH1 ARG 82 1HH1 ARG 82 15.983 4.533 -10.004 545 2HH1 ARG 82 2HH1 ARG 82 16.489 3.794 -11.486 546 1HH2 ARG 82 1HH2 ARG 82 13.243 3.582 -12.834 547 2HH2 ARG 82 2HH2 ARG 82 14.921 3.248 -13.106 548 H TRP 83 H TRP 83 12.260 6.375 -5.768 549 HA TRP 83 HA TRP 83 14.953 7.113 -4.882 550 1HB TRP 83 1HB TRP 83 13.224 7.318 -3.213 551 2HB TRP 83 2HB TRP 83 12.715 5.647 -3.474 552 HD1 TRP 83 HD TRP 83 13.965 3.833 -2.018 553 HE1 TRP 83 1HE TRP 83 15.955 3.761 -0.286 554 HE3 TRP 83 3HE TRP 83 15.539 8.598 -2.834 555 HZ2 TRP 83 2HZ TRP 83 17.920 5.663 0.530 556 HZ3 TRP 83 3HZ TRP 83 17.501 9.414 -1.528 557 HH2 TRP 83 HH TRP 83 18.678 8.031 0.108 558 H GLY 84 H GLY 84 13.229 4.020 -4.327 559 1HA GLY 84 1HA GLY 84 14.138 2.427 -6.337 560 2HA GLY 84 2HA GLY 84 15.509 2.533 -5.252 561 H THR 85 H THR 85 14.889 2.243 -2.783 562 HA THR 85 HA THR 85 13.936 1.039 -1.153 563 HB THR 85 HB THR 85 11.847 -0.065 -3.060 564 HG1 THR 85 1HG THR 85 12.619 2.573 -2.558 565 1HG2 THR 85 1HG2 THR 85 10.443 0.798 -0.985 566 2HG2 THR 85 2HG2 THR 85 11.357 -0.722 -0.828 567 3HG2 THR 85 3HG2 THR 85 12.013 0.786 -0.147 568 H VAL 86 H VAL 86 13.564 -0.888 -4.209 569 HA VAL 86 HA VAL 86 14.561 -2.769 -4.836 570 HB VAL 86 HB VAL 86 16.263 -2.815 -2.363 571 1HG1 VAL 86 1HG1 VAL 86 17.950 -3.522 -4.216 572 2HG1 VAL 86 2HG1 VAL 86 16.709 -4.682 -3.683 573 3HG1 VAL 86 3HG1 VAL 86 16.494 -3.787 -5.205 574 1HG2 VAL 86 1HG2 VAL 86 16.733 -0.628 -2.827 575 2HG2 VAL 86 2HG2 VAL 86 17.852 -1.399 -3.979 576 3HG2 VAL 86 3HG2 VAL 86 16.284 -0.775 -4.542 577 H ASP 87 H ASP 87 14.813 -3.186 -1.245 578 HA ASP 87 HA ASP 87 12.686 -5.159 -1.510 579 1HB ASP 87 1HB ASP 87 15.162 -5.986 -1.191 580 2HB ASP 87 2HB ASP 87 14.954 -5.451 0.483 581 HD2 ASP 87 HD2 ASP 87 14.002 -8.796 0.769 582 H CYS 88 H CYS 88 10.973 -4.290 -0.325 583 HA CYS 88 HA CYS 88 11.449 -2.372 1.710 584 1HB CYS 88 1HB CYS 88 9.503 -2.300 0.218 585 2HB CYS 88 2HB CYS 88 8.892 -3.792 0.938 586 H THR 89 H THR 89 12.996 -4.285 2.651 587 HA THR 89 HA THR 89 11.396 -5.991 4.422 588 HB THR 89 HB THR 89 13.177 -6.953 2.848 589 HG1 THR 89 1HG THR 89 13.819 -8.318 4.613 590 1HG2 THR 89 1HG2 THR 89 15.492 -6.633 3.335 591 2HG2 THR 89 2HG2 THR 89 14.833 -4.979 3.402 592 3HG2 THR 89 3HG2 THR 89 15.142 -5.876 4.909 593 H THR 90 H THR 90 13.478 -3.164 4.336 594 HA THR 90 HA THR 90 13.907 -3.290 7.212 595 HB THR 90 HB THR 90 14.852 -1.523 4.913 596 HG1 THR 90 1HG THR 90 16.875 -2.464 5.860 597 1HG2 THR 90 1HG2 THR 90 16.406 -0.623 6.849 598 2HG2 THR 90 2HG2 THR 90 14.796 0.108 6.646 599 3HG2 THR 90 3HG2 THR 90 15.068 -1.109 7.918 600 H ALA 91 H ALA 91 12.298 -1.120 4.795 601 HA ALA 91 HA ALA 91 10.993 0.250 6.992 602 1HB ALA 91 1HB ALA 91 10.657 1.950 5.486 603 2HB ALA 91 2HB ALA 91 12.027 1.155 4.674 604 3HB ALA 91 3HB ALA 91 10.364 0.836 4.131 605 H ALA 92 H ALA 92 8.703 0.308 7.286 606 HA ALA 92 HA ALA 92 7.427 -2.135 6.414 607 1HB ALA 92 1HB ALA 92 7.266 -0.298 8.644 608 2HB ALA 92 2HB ALA 92 5.655 -0.511 7.919 609 3HB ALA 92 3HB ALA 92 6.573 -1.929 8.480 610 H CYS 93 H CYS 93 6.137 -2.277 4.649 611 HA CYS 93 HA CYS 93 5.433 0.201 3.330 612 1HB CYS 93 1HB CYS 93 4.493 -2.206 2.030 613 2HB CYS 93 2HB CYS 93 5.572 -0.940 1.436 614 H GLN 94 H GLN 94 3.450 1.130 3.704 615 HA GLN 94 HA GLN 94 1.474 -0.495 5.036 616 1HB GLN 94 1HB GLN 94 1.752 2.480 4.514 617 2HB GLN 94 2HB GLN 94 0.273 1.788 5.203 618 1HG GLN 94 1HG GLN 94 1.294 1.278 7.211 619 2HG GLN 94 2HG GLN 94 2.876 0.997 6.472 620 1HE2 GLN 94 1HE2 GLN 94 1.433 2.823 8.623 621 2HE2 GLN 94 2HE2 GLN 94 2.217 4.354 8.429 622 H VAL 95 H VAL 95 -0.045 -1.566 3.852 623 HA VAL 95 HA VAL 95 -0.509 -0.709 1.123 624 HB VAL 95 HB VAL 95 -1.822 -3.035 2.493 625 1HG1 VAL 95 1HG1 VAL 95 -2.058 -3.925 0.366 626 2HG1 VAL 95 2HG1 VAL 95 -2.234 -2.182 0.049 627 3HG1 VAL 95 3HG1 VAL 95 -0.688 -2.998 -0.292 628 1HG2 VAL 95 1HG2 VAL 95 1.081 -2.696 1.883 629 2HG2 VAL 95 2HG2 VAL 95 0.278 -3.648 3.153 630 3HG2 VAL 95 3HG2 VAL 95 0.331 -4.260 1.483 631 H GLY 96 H GLY 96 -2.174 0.583 0.532 632 1HA GLY 96 1HA GLY 96 -4.744 0.398 1.752 633 2HA GLY 96 2HA GLY 96 -3.879 1.814 2.313 634 H LEU 97 H LEU 97 -6.185 2.261 0.903 635 HA LEU 97 HA LEU 97 -5.270 2.893 -1.811 636 1HB LEU 97 1HB LEU 97 -7.722 3.158 -2.257 637 2HB LEU 97 2HB LEU 97 -7.145 1.509 -1.942 638 HG LEU 97 HG LEU 97 -8.366 3.187 0.243 639 1HD1 LEU 97 1HD1 LEU 97 -10.430 1.574 -0.547 640 2HD1 LEU 97 2HD1 LEU 97 -10.261 3.300 -0.947 641 3HD1 LEU 97 3HD1 LEU 97 -9.728 2.061 -2.109 642 1HD2 LEU 97 1HD2 LEU 97 -7.987 1.379 1.466 643 2HD2 LEU 97 2HD2 LEU 97 -9.031 0.425 0.385 644 3HD2 LEU 97 3HD2 LEU 97 -7.285 0.552 0.053 645 H SER 98 H SER 98 -4.660 4.950 -2.173 646 HA SER 98 HA SER 98 -5.429 6.911 -0.212 647 1HB SER 98 1HB SER 98 -3.713 8.292 -1.154 648 2HB SER 98 2HB SER 98 -3.051 6.649 -1.086 649 HG SER 98 HG SER 98 -2.722 7.903 -3.139 650 H ASP 99 H ASP 99 -6.181 9.126 -0.993 651 HA ASP 99 HA ASP 99 -8.471 8.879 -2.459 652 1HB ASP 99 1HB ASP 99 -6.940 11.478 -2.453 653 2HB ASP 99 2HB ASP 99 -8.677 11.217 -2.229 654 HD2 ASP 99 HD2 ASP 99 -7.363 10.017 1.129 655 H ALA 100 H ALA 100 -8.945 10.123 -4.608 656 HA ALA 100 HA ALA 100 -7.247 9.159 -6.621 657 1HB ALA 100 1HB ALA 100 -9.097 11.410 -7.229 658 2HB ALA 100 2HB ALA 100 -8.946 9.813 -8.002 659 3HB ALA 100 3HB ALA 100 -9.834 9.978 -6.469 660 H ALA 101 H ALA 101 -7.077 11.931 -4.552 661 HA ALA 101 HA ALA 101 -5.708 13.623 -6.404 662 1HB ALA 101 1HB ALA 101 -5.878 15.176 -4.734 663 2HB ALA 101 2HB ALA 101 -7.084 14.031 -4.099 664 3HB ALA 101 3HB ALA 101 -5.421 14.016 -3.463 665 H GLY 102 H GLY 102 -4.901 10.927 -4.309 666 1HA GLY 102 1HA GLY 102 -2.880 9.771 -4.571 667 2HA GLY 102 2HA GLY 102 -2.080 11.251 -5.064 668 H ASN 103 H ASN 103 -4.291 10.813 -2.243 669 HA ASN 103 HA ASN 103 -2.001 10.955 -0.495 670 1HB ASN 103 1HB ASN 103 -2.917 12.822 0.797 671 2HB ASN 103 2HB ASN 103 -2.787 13.334 -0.892 672 1HD2 ASN 103 1HD2 ASN 103 -4.814 12.667 -2.216 673 2HD2 ASN 103 2HD2 ASN 103 -6.341 13.099 -1.528 674 H GLY 104 H GLY 104 -2.680 10.405 1.819 675 1HA GLY 104 1HA GLY 104 -5.040 9.829 2.876 676 2HA GLY 104 2HA GLY 104 -4.865 8.477 1.775 677 HA PRO 105 HA PRO 105 -1.926 8.193 5.500 678 1HB PRO 105 1HB PRO 105 -3.337 8.357 7.833 679 2HB PRO 105 2HB PRO 105 -2.404 9.700 7.176 680 1HG PRO 105 1HG PRO 105 -5.318 9.234 7.173 681 2HG PRO 105 2HG PRO 105 -4.427 10.783 6.947 682 1HD PRO 105 1HD PRO 105 -5.730 9.175 4.969 683 2HD PRO 105 2HD PRO 105 -4.732 10.604 4.675 684 H GLU 106 H GLU 106 -4.763 6.838 4.512 685 HA GLU 106 HA GLU 106 -4.839 4.664 6.269 686 1HB GLU 106 1HB GLU 106 -6.273 5.621 3.959 687 2HB GLU 106 2HB GLU 106 -5.935 3.895 3.744 688 1HG GLU 106 1HG GLU 106 -7.516 3.358 5.255 689 2HG GLU 106 2HG GLU 106 -6.772 4.398 6.481 690 HE2 GLU 106 HE2 GLU 106 -9.588 6.045 4.167 691 H GLY 107 H GLY 107 -3.735 2.723 6.281 692 1HA GLY 107 1HA GLY 107 -2.729 1.289 4.215 693 2HA GLY 107 2HA GLY 107 -1.471 2.471 4.514 694 H VAL 108 H VAL 108 -2.097 -0.631 5.116 695 HA VAL 108 HA VAL 108 -1.267 -0.525 7.927 696 HB VAL 108 HB VAL 108 -3.386 -1.760 7.038 697 1HG1 VAL 108 1HG1 VAL 108 -2.390 -3.010 5.238 698 2HG1 VAL 108 2HG1 VAL 108 -1.178 -3.719 6.331 699 3HG1 VAL 108 3HG1 VAL 108 -2.896 -4.158 6.499 700 1HG2 VAL 108 1HG2 VAL 108 -1.915 -1.930 9.311 701 2HG2 VAL 108 2HG2 VAL 108 -3.404 -2.860 9.018 702 3HG2 VAL 108 3HG2 VAL 108 -1.814 -3.611 8.740 703 H ALA 109 H ALA 109 0.800 -1.048 8.439 704 HA ALA 109 HA ALA 109 2.652 -1.577 6.386 705 1HB ALA 109 1HB ALA 109 4.113 -2.075 8.514 706 2HB ALA 109 2HB ALA 109 3.509 -0.425 8.230 707 3HB ALA 109 3HB ALA 109 2.688 -1.481 9.402 708 H ILE 110 H ILE 110 2.049 -3.449 5.224 709 HA ILE 110 HA ILE 110 2.098 -5.922 6.808 710 HB ILE 110 HB ILE 110 0.097 -5.060 5.248 711 1HG1 ILE 110 1HG1 ILE 110 -0.174 -7.724 4.877 712 2HG1 ILE 110 2HG1 ILE 110 1.048 -7.711 6.160 713 1HG2 ILE 110 1HG2 ILE 110 1.925 -5.332 3.310 714 2HG2 ILE 110 2HG2 ILE 110 1.297 -6.997 3.336 715 3HG2 ILE 110 3HG2 ILE 110 0.189 -5.631 3.057 716 1HD1 ILE 110 1HD1 ILE 110 -1.665 -7.521 6.578 717 2HD1 ILE 110 2HD1 ILE 110 -0.435 -6.924 7.715 718 3HD1 ILE 110 3HD1 ILE 110 -1.197 -5.805 6.558 719 H SER 111 H SER 111 3.496 -7.603 6.212 720 HA SER 111 HA SER 111 4.786 -8.137 4.040 721 1HB SER 111 1HB SER 111 5.851 -5.551 5.052 722 2HB SER 111 2HB SER 111 7.078 -6.734 4.569 723 HG SER 111 HG SER 111 6.471 -5.387 2.785 724 H PHE 112 H PHE 112 5.517 -7.110 7.424 725 HA PHE 112 HA PHE 112 6.235 -9.772 8.112 726 1HB PHE 112 1HB PHE 112 8.306 -8.810 6.953 727 2HB PHE 112 2HB PHE 112 8.339 -7.524 8.165 728 HD1 PHE 112 1HD PHE 112 8.546 -11.213 7.760 729 HD2 PHE 112 2HD PHE 112 9.462 -7.855 10.189 730 HE1 PHE 112 1HE PHE 112 9.951 -12.669 9.247 731 HE2 PHE 112 2HE PHE 112 10.866 -9.311 11.675 732 HZ PHE 112 HZ PHE 112 11.094 -11.701 11.186 733 H ASN 113 H ASN 113 7.221 -9.707 10.506 734 HA ASN 113 HA ASN 113 5.364 -8.084 11.946 735 1HB ASN 113 1HB ASN 113 5.597 -10.310 12.777 736 2HB ASN 113 2HB ASN 113 7.364 -10.258 12.698 737 1HD2 ASN 113 1HD2 ASN 113 8.028 -10.512 14.704 738 2HD2 ASN 113 2HD2 ASN 113 7.541 -9.583 16.081 739 6H NCZ 130 6H NCZ 130 1.905 13.786 -0.052 740 6H1 NCZ 130 6H1 NCZ 130 -0.151 11.729 -0.238 741 5H1 NCZ 130 5H1 NCZ 130 -0.098 13.030 2.062 742 4H1 NCZ 130 4H1 NCZ 130 2.187 12.067 3.269 743 5H NCZ 130 5H NCZ 130 4.400 11.336 0.482 744 3H1 NCZ 130 3H1 NCZ 130 2.892 10.206 1.860 745 2H1 NCZ 130 2H1 NCZ 130 2.173 11.271 -0.703 746 2H NCZ 130 2H NCZ 130 0.239 8.466 -3.741 747 8H NCZ 130 8H NCZ 130 -1.011 5.518 -3.488 748 7H NCZ 130 7H NCZ 130 -1.851 4.434 -1.432 749 3H NCZ 130 3H NCZ 130 -1.019 4.998 3.163 750 1H17 NCZ 130 1H17 NCZ 130 1.486 8.208 5.054 751 2H17 NCZ 130 2H17 NCZ 130 2.140 8.355 3.405 752 3H17 NCZ 130 3H17 NCZ 130 0.517 8.979 3.775 753 1H18 NCZ 130 1H18 NCZ 130 -1.998 3.401 0.068 754 2H18 NCZ 130 2H18 NCZ 130 -1.889 3.278 1.840 755 3H18 NCZ 130 3H18 NCZ 130 -3.102 4.344 1.094 756 1H NCZ 130 1H NCZ 130 1.369 7.984 1.330 Start of MODEL 4 1 H ALA 1 H ALA 1 -13.896 -4.695 13.804 2 HA ALA 1 HA ALA 1 -12.076 -6.117 13.039 3 1HB ALA 1 1HB ALA 1 -13.062 -8.256 13.546 4 2HB ALA 1 2HB ALA 1 -14.428 -7.952 12.447 5 3HB ALA 1 3HB ALA 1 -12.793 -8.201 11.787 6 H ALA 2 H ALA 2 -13.101 -3.723 12.252 7 HA ALA 2 HA ALA 2 -13.312 -4.102 9.353 8 1HB ALA 2 1HB ALA 2 -14.797 -1.830 9.810 9 2HB ALA 2 2HB ALA 2 -15.478 -3.456 9.553 10 3HB ALA 2 3HB ALA 2 -15.241 -2.841 11.208 11 HA PRO 3 HA PRO 3 -10.066 -1.174 10.678 12 1HB PRO 3 1HB PRO 3 -7.882 -2.534 9.760 13 2HB PRO 3 2HB PRO 3 -8.429 -2.606 11.434 14 1HG PRO 3 1HG PRO 3 -8.726 -4.574 9.256 15 2HG PRO 3 2HG PRO 3 -8.845 -4.839 11.033 16 1HD PRO 3 1HD PRO 3 -10.961 -4.700 9.108 17 2HD PRO 3 2HD PRO 3 -11.138 -4.804 10.864 18 H THR 4 H THR 4 -11.823 -0.837 8.636 19 HA THR 4 HA THR 4 -12.022 -0.058 6.551 20 HB THR 4 HB THR 4 -10.611 1.861 6.144 21 HG1 THR 4 1HG THR 4 -8.434 1.767 6.820 22 1HG2 THR 4 1HG2 THR 4 -10.512 1.246 9.145 23 2HG2 THR 4 2HG2 THR 4 -10.156 2.835 8.422 24 3HG2 THR 4 3HG2 THR 4 -11.795 2.151 8.307 25 H ALA 5 H ALA 5 -9.051 0.518 5.265 26 HA ALA 5 HA ALA 5 -9.270 -1.819 3.597 27 1HB ALA 5 1HB ALA 5 -7.075 -0.510 2.700 28 2HB ALA 5 2HB ALA 5 -8.734 -0.039 2.265 29 3HB ALA 5 3HB ALA 5 -7.878 0.818 3.568 30 H THR 6 H THR 6 -8.275 -3.719 4.025 31 HA THR 6 HA THR 6 -5.619 -3.667 5.194 32 HB THR 6 HB THR 6 -6.642 -5.541 6.833 33 HG1 THR 6 1HG THR 6 -8.847 -4.200 7.318 34 1HG2 THR 6 1HG2 THR 6 -7.315 -2.619 7.409 35 2HG2 THR 6 2HG2 THR 6 -6.893 -3.893 8.577 36 3HG2 THR 6 3HG2 THR 6 -5.646 -3.233 7.492 37 H VAL 7 H VAL 7 -4.393 -5.543 4.776 38 HA VAL 7 HA VAL 7 -5.546 -7.113 2.602 39 HB VAL 7 HB VAL 7 -3.372 -5.802 2.422 40 1HG1 VAL 7 1HG1 VAL 7 -2.184 -6.200 4.384 41 2HG1 VAL 7 2HG1 VAL 7 -2.561 -7.939 4.385 42 3HG1 VAL 7 3HG1 VAL 7 -1.380 -7.283 3.224 43 1HG2 VAL 7 1HG2 VAL 7 -3.542 -7.171 0.624 44 2HG2 VAL 7 2HG2 VAL 7 -2.228 -8.054 1.440 45 3HG2 VAL 7 3HG2 VAL 7 -3.912 -8.605 1.612 46 H THR 8 H THR 8 -5.484 -9.424 2.616 47 HA THR 8 HA THR 8 -6.318 -10.707 4.807 48 HB THR 8 HB THR 8 -4.992 -11.411 2.254 49 HG1 THR 8 1HG THR 8 -6.812 -12.985 2.508 50 1HG2 THR 8 1HG2 THR 8 -4.655 -13.794 2.877 51 2HG2 THR 8 2HG2 THR 8 -3.542 -12.761 3.804 52 3HG2 THR 8 3HG2 THR 8 -5.008 -13.408 4.578 53 HA PRO 9 HA PRO 9 -1.966 -11.594 6.330 54 1HB PRO 9 1HB PRO 9 0.202 -10.496 5.085 55 2HB PRO 9 2HB PRO 9 -0.384 -12.123 4.745 56 1HG PRO 9 1HG PRO 9 -0.679 -9.637 3.186 57 2HG PRO 9 2HG PRO 9 -0.844 -11.340 2.625 58 1HD PRO 9 1HD PRO 9 -2.911 -9.429 3.147 59 2HD PRO 9 2HD PRO 9 -3.132 -11.139 2.752 60 H SER 10 H SER 10 0.039 -10.347 7.408 61 HA SER 10 HA SER 10 -0.711 -7.593 7.715 62 1HB SER 10 1HB SER 10 -1.691 -9.509 9.528 63 2HB SER 10 2HB SER 10 -0.326 -8.754 10.371 64 HG SER 10 HG SER 10 -2.332 -7.177 9.032 65 H SER 11 H SER 11 1.339 -10.383 8.758 66 HA SER 11 HA SER 11 3.605 -8.571 8.604 67 1HB SER 11 1HB SER 11 3.163 -10.664 10.766 68 2HB SER 11 2HB SER 11 4.620 -9.672 10.587 69 HG SER 11 HG SER 11 3.284 -8.712 12.159 70 H GLY 12 H GLY 12 5.695 -10.333 9.019 71 1HA GLY 12 1HA GLY 12 6.949 -11.701 7.708 72 2HA GLY 12 2HA GLY 12 5.740 -12.870 8.199 73 H LEU 13 H LEU 13 5.458 -10.003 5.992 74 HA LEU 13 HA LEU 13 4.017 -11.572 4.101 75 1HB LEU 13 1HB LEU 13 3.519 -9.619 3.092 76 2HB LEU 13 2HB LEU 13 3.860 -9.042 4.734 77 HG LEU 13 HG LEU 13 6.194 -8.488 3.916 78 1HD1 LEU 13 1HD1 LEU 13 5.994 -8.053 1.270 79 2HD1 LEU 13 2HD1 LEU 13 6.696 -9.531 1.976 80 3HD1 LEU 13 3HD1 LEU 13 5.010 -9.530 1.404 81 1HD2 LEU 13 1HD2 LEU 13 5.568 -6.357 3.126 82 2HD2 LEU 13 2HD2 LEU 13 4.047 -6.966 2.433 83 3HD2 LEU 13 3HD2 LEU 13 4.245 -6.875 4.200 84 H SER 14 H SER 14 4.709 -11.512 1.693 85 HA SER 14 HA SER 14 7.558 -12.139 1.637 86 1HB SER 14 1HB SER 14 5.463 -13.855 1.130 87 2HB SER 14 2HB SER 14 5.860 -13.297 -0.504 88 HG SER 14 HG SER 14 7.378 -14.852 1.329 89 H ASP 15 H ASP 15 8.781 -11.403 -0.202 90 HA ASP 15 HA ASP 15 8.011 -8.969 -1.199 91 1HB ASP 15 1HB ASP 15 9.846 -9.479 -2.961 92 2HB ASP 15 2HB ASP 15 10.328 -9.464 -1.258 93 HD2 ASP 15 HD2 ASP 15 10.891 -12.686 -3.374 94 H GLY 16 H GLY 16 5.724 -9.588 -1.932 95 1HA GLY 16 1HA GLY 16 4.793 -9.383 -4.198 96 2HA GLY 16 2HA GLY 16 5.768 -10.769 -4.648 97 H THR 17 H THR 17 3.965 -10.266 -1.557 98 HA THR 17 HA THR 17 2.697 -12.838 -1.925 99 HB THR 17 HB THR 17 2.861 -10.748 0.292 100 HG1 THR 17 1HG THR 17 3.594 -13.559 -0.145 101 1HG2 THR 17 1HG2 THR 17 1.301 -13.382 0.212 102 2HG2 THR 17 2HG2 THR 17 1.741 -12.534 1.715 103 3HG2 THR 17 3HG2 THR 17 0.636 -11.765 0.552 104 H VAL 18 H VAL 18 1.008 -13.007 -3.268 105 HA VAL 18 HA VAL 18 -0.696 -10.741 -3.706 106 HB VAL 18 HB VAL 18 -1.138 -13.573 -4.634 107 1HG1 VAL 18 1HG1 VAL 18 -2.252 -10.932 -5.245 108 2HG1 VAL 18 2HG1 VAL 18 -1.711 -11.813 -6.696 109 3HG1 VAL 18 3HG1 VAL 18 -2.893 -12.555 -5.592 110 1HG2 VAL 18 1HG2 VAL 18 0.789 -13.568 -5.754 111 2HG2 VAL 18 2HG2 VAL 18 0.241 -12.129 -6.649 112 3HG2 VAL 18 3HG2 VAL 18 1.178 -11.943 -5.145 113 H VAL 19 H VAL 19 -2.557 -10.249 -2.647 114 HA VAL 19 HA VAL 19 -4.057 -12.354 -1.373 115 HB VAL 19 HB VAL 19 -3.966 -10.649 0.725 116 1HG1 VAL 19 1HG1 VAL 19 -2.776 -13.249 0.039 117 2HG1 VAL 19 2HG1 VAL 19 -1.954 -12.412 1.375 118 3HG1 VAL 19 3HG1 VAL 19 -3.698 -12.752 1.478 119 1HG2 VAL 19 1HG2 VAL 19 -2.155 -9.326 -0.405 120 2HG2 VAL 19 2HG2 VAL 19 -1.714 -9.960 1.198 121 3HG2 VAL 19 3HG2 VAL 19 -1.104 -10.756 -0.273 122 H LYS 20 H LYS 20 -5.970 -11.059 -0.059 123 HA LYS 20 HA LYS 20 -6.919 -9.099 -2.023 124 1HB LYS 20 1HB LYS 20 -9.182 -9.767 -1.270 125 2HB LYS 20 2HB LYS 20 -8.271 -11.085 -2.023 126 1HG LYS 20 1HG LYS 20 -8.290 -12.310 -0.116 127 2HG LYS 20 2HG LYS 20 -7.847 -10.921 0.893 128 1HD LYS 20 1HD LYS 20 -10.029 -10.424 1.386 129 2HD LYS 20 2HD LYS 20 -10.622 -10.896 -0.217 130 1HE LYS 20 1HE LYS 20 -9.680 -12.881 1.894 131 2HE LYS 20 2HE LYS 20 -11.372 -12.389 1.721 132 1HZ LYS 20 1HZ LYS 20 -9.847 -14.182 0.148 133 2HZ LYS 20 2HZ LYS 20 -11.467 -14.004 0.235 134 3HZ LYS 20 3HZ LYS 20 -10.596 -13.063 -0.776 135 H VAL 21 H VAL 21 -7.532 -7.061 -1.365 136 HA VAL 21 HA VAL 21 -7.067 -6.508 1.479 137 HB VAL 21 HB VAL 21 -6.959 -4.681 -0.927 138 1HG1 VAL 21 1HG1 VAL 21 -5.626 -3.734 1.473 139 2HG1 VAL 21 2HG1 VAL 21 -6.855 -2.935 0.462 140 3HG1 VAL 21 3HG1 VAL 21 -7.356 -4.035 1.770 141 1HG2 VAL 21 1HG2 VAL 21 -4.656 -4.879 -0.958 142 2HG2 VAL 21 2HG2 VAL 21 -4.569 -5.428 0.733 143 3HG2 VAL 21 3HG2 VAL 21 -5.139 -6.540 -0.534 144 H ALA 22 H ALA 22 -8.983 -6.623 2.559 145 HA ALA 22 HA ALA 22 -11.390 -5.745 1.197 146 1HB ALA 22 1HB ALA 22 -10.664 -7.488 3.468 147 2HB ALA 22 2HB ALA 22 -12.100 -6.479 3.761 148 3HB ALA 22 3HB ALA 22 -12.055 -7.574 2.360 149 H GLY 23 H GLY 23 -12.446 -3.831 1.595 150 1HA GLY 23 1HA GLY 23 -11.166 -2.045 3.569 151 2HA GLY 23 2HA GLY 23 -11.995 -1.539 2.110 152 H ALA 24 H ALA 24 -12.406 -2.887 5.397 153 HA ALA 24 HA ALA 24 -15.285 -2.727 5.206 154 1HB ALA 24 1HB ALA 24 -14.861 -4.477 6.592 155 2HB ALA 24 2HB ALA 24 -13.245 -3.869 7.025 156 3HB ALA 24 3HB ALA 24 -14.688 -3.219 7.839 157 H GLY 25 H GLY 25 -15.991 -0.618 5.033 158 1HA GLY 25 1HA GLY 25 -16.726 1.280 6.134 159 2HA GLY 25 2HA GLY 25 -15.476 1.088 7.348 160 H LEU 26 H LEU 26 -14.853 0.860 3.827 161 HA LEU 26 HA LEU 26 -12.913 2.967 4.076 162 1HB LEU 26 1HB LEU 26 -13.080 0.667 2.636 163 2HB LEU 26 2HB LEU 26 -13.504 1.877 1.413 164 HG LEU 26 HG LEU 26 -11.190 1.555 1.211 165 1HD1 LEU 26 1HD1 LEU 26 -11.934 4.051 2.686 166 2HD1 LEU 26 2HD1 LEU 26 -10.221 3.735 2.315 167 3HD1 LEU 26 3HD1 LEU 26 -11.416 3.828 0.998 168 1HD2 LEU 26 1HD2 LEU 26 -9.672 1.842 3.278 169 2HD2 LEU 26 2HD2 LEU 26 -11.147 1.528 4.221 170 3HD2 LEU 26 3HD2 LEU 26 -10.549 0.308 3.070 171 H GLN 27 H GLN 27 -13.396 3.767 1.173 172 HA GLN 27 HA GLN 27 -15.221 5.865 1.849 173 1HB GLN 27 1HB GLN 27 -13.022 5.461 0.003 174 2HB GLN 27 2HB GLN 27 -14.424 6.110 -0.867 175 1HG GLN 27 1HG GLN 27 -13.252 7.275 1.694 176 2HG GLN 27 2HG GLN 27 -12.917 7.894 0.070 177 1HE2 GLN 27 1HE2 GLN 27 -14.014 9.629 -0.390 178 2HE2 GLN 27 2HE2 GLN 27 -15.631 10.016 0.091 179 H ALA 28 H ALA 28 -17.223 4.634 1.994 180 HA ALA 28 HA ALA 28 -18.162 2.975 -0.033 181 1HB ALA 28 1HB ALA 28 -19.768 4.706 1.892 182 2HB ALA 28 2HB ALA 28 -20.303 3.207 1.094 183 3HB ALA 28 3HB ALA 28 -19.016 3.149 2.322 184 H GLY 29 H GLY 29 -18.656 3.438 -2.111 185 1HA GLY 29 1HA GLY 29 -19.909 4.551 -3.723 186 2HA GLY 29 2HA GLY 29 -20.012 5.967 -2.694 187 H THR 30 H THR 30 -17.073 5.887 -2.004 188 HA THR 30 HA THR 30 -16.163 7.217 -4.431 189 HB THR 30 HB THR 30 -14.250 7.352 -2.309 190 HG1 THR 30 1HG THR 30 -17.037 7.811 -1.531 191 1HG2 THR 30 1HG2 THR 30 -16.075 9.141 -3.766 192 2HG2 THR 30 2HG2 THR 30 -15.966 9.585 -2.046 193 3HG2 THR 30 3HG2 THR 30 -14.491 9.508 -3.039 194 H ALA 31 H ALA 31 -13.535 6.951 -4.576 195 HA ALA 31 HA ALA 31 -12.707 4.237 -4.239 196 1HB ALA 31 1HB ALA 31 -12.606 4.976 -7.104 197 2HB ALA 31 2HB ALA 31 -12.982 3.414 -6.338 198 3HB ALA 31 3HB ALA 31 -14.242 4.665 -6.476 199 H TYR 32 H TYR 32 -10.448 4.083 -4.316 200 HA TYR 32 HA TYR 32 -9.025 6.462 -5.259 201 1HB TYR 32 1HB TYR 32 -8.834 4.952 -2.586 202 2HB TYR 32 2HB TYR 32 -7.644 6.159 -3.088 203 HD1 TYR 32 1HD TYR 32 -9.507 6.083 -0.578 204 HD2 TYR 32 2HD TYR 32 -9.764 8.057 -4.364 205 HE1 TYR 32 1HE TYR 32 -10.939 7.909 0.465 206 HE2 TYR 32 2HE TYR 32 -11.193 9.878 -3.310 207 HH TYR 32 HH TYR 32 -12.196 10.568 -1.530 208 H ASP 33 H ASP 33 -6.472 5.884 -4.897 209 HA ASP 33 HA ASP 33 -6.180 3.486 -6.451 210 1HB ASP 33 1HB ASP 33 -4.506 5.883 -5.772 211 2HB ASP 33 2HB ASP 33 -3.642 4.398 -6.202 212 HD2 ASP 33 HD2 ASP 33 -5.349 6.541 -9.021 213 H VAL 34 H VAL 34 -5.565 1.542 -5.487 214 HA VAL 34 HA VAL 34 -4.747 1.623 -2.704 215 HB VAL 34 HB VAL 34 -6.187 -0.155 -4.445 216 1HG1 VAL 34 1HG1 VAL 34 -4.016 -1.348 -4.610 217 2HG1 VAL 34 2HG1 VAL 34 -3.980 -1.481 -2.835 218 3HG1 VAL 34 3HG1 VAL 34 -5.261 -2.298 -3.762 219 1HG2 VAL 34 1HG2 VAL 34 -5.891 0.448 -1.566 220 2HG2 VAL 34 2HG2 VAL 34 -7.354 0.154 -2.537 221 3HG2 VAL 34 3HG2 VAL 34 -6.390 -1.218 -1.940 222 H GLY 35 H GLY 35 -2.749 0.890 -1.923 223 1HA GLY 35 1HA GLY 35 -0.824 -0.506 -3.333 224 2HA GLY 35 2HA GLY 35 -0.546 1.185 -3.700 225 H GLN 36 H GLN 36 1.278 -0.505 -2.215 226 HA GLN 36 HA GLN 36 0.908 0.316 0.524 227 1HB GLN 36 1HB GLN 36 2.764 -1.158 1.028 228 2HB GLN 36 2HB GLN 36 1.653 -2.015 -0.056 229 1HG GLN 36 1HG GLN 36 3.417 -0.687 -1.785 230 2HG GLN 36 2HG GLN 36 4.462 -1.232 -0.465 231 1HE2 GLN 36 1HE2 GLN 36 4.252 -2.086 -3.267 232 2HE2 GLN 36 2HE2 GLN 36 3.951 -3.791 -3.259 233 H CYS 37 H CYS 37 1.510 2.390 1.002 234 HA CYS 37 HA CYS 37 3.879 3.416 -0.370 235 1HB CYS 37 1HB CYS 37 1.496 4.546 -0.376 236 2HB CYS 37 2HB CYS 37 2.039 5.183 1.179 237 H ALA 38 H ALA 38 5.516 4.509 0.951 238 HA ALA 38 HA ALA 38 5.324 4.729 3.731 239 1HB ALA 38 1HB ALA 38 7.221 2.804 3.953 240 2HB ALA 38 2HB ALA 38 5.487 2.497 4.213 241 3HB ALA 38 3HB ALA 38 6.235 2.104 2.647 242 H TRP 39 H TRP 39 7.477 5.377 4.679 243 HA TRP 39 HA TRP 39 8.792 7.111 2.894 244 1HB TRP 39 1HB TRP 39 10.324 7.483 4.804 245 2HB TRP 39 2HB TRP 39 8.614 7.722 5.174 246 HD1 TRP 39 HD TRP 39 7.492 5.909 6.884 247 HE1 TRP 39 1HE TRP 39 8.449 4.213 8.667 248 HE3 TRP 39 3HE TRP 39 12.277 5.994 5.168 249 HZ2 TRP 39 2HZ TRP 39 11.042 3.122 9.147 250 HZ3 TRP 39 3HZ TRP 39 13.960 4.584 6.351 251 HH2 TRP 39 HH TRP 39 13.408 3.183 8.276 252 H VAL 40 H VAL 40 10.068 6.371 1.243 253 HA VAL 40 HA VAL 40 11.672 3.976 1.770 254 HB VAL 40 HB VAL 40 9.977 4.661 -0.312 255 1HG1 VAL 40 1HG1 VAL 40 11.423 4.830 -2.299 256 2HG1 VAL 40 2HG1 VAL 40 11.622 6.230 -1.219 257 3HG1 VAL 40 3HG1 VAL 40 12.853 4.945 -1.247 258 1HG2 VAL 40 1HG2 VAL 40 10.320 2.508 -0.924 259 2HG2 VAL 40 2HG2 VAL 40 12.091 2.680 -0.939 260 3HG2 VAL 40 3HG2 VAL 40 11.235 2.433 0.601 261 H ASP 41 H ASP 41 11.791 7.329 0.406 262 HA ASP 41 HA ASP 41 14.663 7.163 0.407 263 1HB ASP 41 1HB ASP 41 13.822 8.292 -1.489 264 2HB ASP 41 2HB ASP 41 12.603 9.170 -0.553 265 HD2 ASP 41 HD2 ASP 41 14.729 11.806 -0.012 266 H THR 42 H THR 42 15.782 9.331 1.313 267 HA THR 42 HA THR 42 15.774 9.456 3.951 268 HB THR 42 HB THR 42 15.994 11.730 1.919 269 HG1 THR 42 1HG THR 42 18.119 10.963 1.962 270 1HG2 THR 42 1HG2 THR 42 17.498 12.738 3.762 271 2HG2 THR 42 2HG2 THR 42 15.747 12.872 4.045 272 3HG2 THR 42 3HG2 THR 42 16.693 11.625 4.893 273 H GLY 43 H GLY 43 13.918 9.075 5.110 274 1HA GLY 43 1HA GLY 43 11.840 9.453 5.934 275 2HA GLY 43 2HA GLY 43 12.468 11.075 6.153 276 H VAL 44 H VAL 44 12.105 9.701 2.893 277 HA VAL 44 HA VAL 44 9.977 11.660 2.424 278 HB VAL 44 HB VAL 44 12.173 10.470 0.779 279 1HG1 VAL 44 1HG1 VAL 44 10.814 11.745 -1.158 280 2HG1 VAL 44 2HG1 VAL 44 10.637 10.005 -0.838 281 3HG1 VAL 44 3HG1 VAL 44 9.441 11.156 -0.193 282 1HG2 VAL 44 1HG2 VAL 44 11.385 13.087 1.797 283 2HG2 VAL 44 2HG2 VAL 44 12.956 12.528 1.172 284 3HG2 VAL 44 3HG2 VAL 44 11.708 13.118 0.048 285 H LEU 45 H LEU 45 7.930 10.982 1.998 286 HA LEU 45 HA LEU 45 7.337 8.227 2.216 287 1HB LEU 45 1HB LEU 45 5.970 10.744 2.210 288 2HB LEU 45 2HB LEU 45 5.121 9.601 1.155 289 HG LEU 45 HG LEU 45 5.939 8.729 3.903 290 1HD1 LEU 45 1HD1 LEU 45 3.281 10.057 3.613 291 2HD1 LEU 45 2HD1 LEU 45 4.319 9.855 5.045 292 3HD1 LEU 45 3HD1 LEU 45 4.719 11.084 3.821 293 1HD2 LEU 45 1HD2 LEU 45 3.675 8.065 2.010 294 2HD2 LEU 45 2HD2 LEU 45 5.014 7.020 2.542 295 3HD2 LEU 45 3HD2 LEU 45 3.744 7.497 3.696 296 H ALA 46 H ALA 46 7.920 6.792 0.668 297 HA ALA 46 HA ALA 46 7.423 7.610 -2.114 298 1HB ALA 46 1HB ALA 46 9.585 7.123 -2.479 299 2HB ALA 46 2HB ALA 46 9.787 6.588 -0.792 300 3HB ALA 46 3HB ALA 46 9.240 5.435 -2.034 301 H CYS 47 H CYS 47 6.146 6.271 -3.371 302 HA CYS 47 HA CYS 47 4.875 4.106 -1.909 303 1HB CYS 47 1HB CYS 47 4.127 5.404 -4.534 304 2HB CYS 47 2HB CYS 47 3.194 4.163 -3.693 305 H ASN 48 H ASN 48 4.480 2.022 -3.169 306 HA ASN 48 HA ASN 48 6.940 1.282 -4.411 307 1HB ASN 48 1HB ASN 48 4.439 -0.149 -3.487 308 2HB ASN 48 2HB ASN 48 5.537 -0.991 -4.590 309 1HD2 ASN 48 1HD2 ASN 48 6.522 1.428 -2.250 310 2HD2 ASN 48 2HD2 ASN 48 7.398 0.387 -1.179 311 HA PRO 49 HA PRO 49 5.357 1.259 -8.504 312 1HB PRO 49 1HB PRO 49 6.491 -0.943 -9.655 313 2HB PRO 49 2HB PRO 49 7.356 0.571 -9.413 314 1HG PRO 49 1HG PRO 49 7.514 -1.962 -7.910 315 2HG PRO 49 2HG PRO 49 8.712 -0.619 -7.975 316 1HD PRO 49 1HD PRO 49 6.886 -1.278 -5.868 317 2HD PRO 49 2HD PRO 49 7.932 0.147 -5.953 318 H ALA 50 H ALA 50 4.557 -1.288 -6.451 319 HA ALA 50 HA ALA 50 2.498 -2.167 -8.349 320 1HB ALA 50 1HB ALA 50 2.362 -4.087 -6.586 321 2HB ALA 50 2HB ALA 50 3.751 -4.047 -7.701 322 3HB ALA 50 3HB ALA 50 3.936 -3.467 -6.029 323 H ASP 51 H ASP 51 2.780 0.272 -6.333 324 HA ASP 51 HA ASP 51 0.591 -0.327 -4.583 325 1HB ASP 51 1HB ASP 51 1.794 1.151 -3.366 326 2HB ASP 51 2HB ASP 51 2.723 1.671 -4.781 327 HD2 ASP 51 HD2 ASP 51 0.523 4.370 -5.320 328 H PHE 52 H PHE 52 0.668 0.130 -7.773 329 HA PHE 52 HA PHE 52 -1.385 2.215 -7.862 330 1HB PHE 52 1HB PHE 52 -0.002 0.829 -10.201 331 2HB PHE 52 2HB PHE 52 -0.673 2.465 -10.163 332 HD1 PHE 52 1HD PHE 52 0.576 3.606 -7.784 333 HD2 PHE 52 2HD PHE 52 2.231 1.050 -10.740 334 HE1 PHE 52 1HE PHE 52 2.863 4.517 -7.292 335 HE2 PHE 52 2HE PHE 52 4.518 1.961 -10.248 336 HZ PHE 52 HZ PHE 52 4.806 3.681 -8.529 337 H SER 53 H SER 53 -3.194 0.953 -7.168 338 HA SER 53 HA SER 53 -4.182 -0.726 -9.277 339 1HB SER 53 1HB SER 53 -3.244 -2.489 -8.061 340 2HB SER 53 2HB SER 53 -3.552 -1.721 -6.493 341 HG SER 53 HG SER 53 -5.651 -2.651 -8.251 342 H SER 54 H SER 54 -5.779 0.913 -9.602 343 HA SER 54 HA SER 54 -7.105 2.393 -7.910 344 1HB SER 54 1HB SER 54 -7.464 1.784 -10.492 345 2HB SER 54 2HB SER 54 -8.856 0.900 -9.845 346 HG SER 54 HG SER 54 -8.857 3.416 -10.468 347 H VAL 55 H VAL 55 -9.133 2.267 -6.656 348 HA VAL 55 HA VAL 55 -10.155 -0.377 -6.102 349 HB VAL 55 HB VAL 55 -8.171 -0.138 -4.640 350 1HG1 VAL 55 1HG1 VAL 55 -7.797 1.988 -3.952 351 2HG1 VAL 55 2HG1 VAL 55 -9.526 2.412 -3.963 352 3HG1 VAL 55 3HG1 VAL 55 -8.840 1.507 -2.591 353 1HG2 VAL 55 1HG2 VAL 55 -10.370 -0.034 -2.670 354 2HG2 VAL 55 2HG2 VAL 55 -10.641 -1.142 -4.034 355 3HG2 VAL 55 3HG2 VAL 55 -9.194 -1.324 -3.016 356 H THR 56 H THR 56 -12.255 -0.309 -5.125 357 HA THR 56 HA THR 56 -13.351 2.358 -4.653 358 HB THR 56 HB THR 56 -13.619 1.210 -7.135 359 HG1 THR 56 1HG THR 56 -15.071 2.927 -7.217 360 1HG2 THR 56 1HG2 THR 56 -14.990 -0.697 -6.041 361 2HG2 THR 56 2HG2 THR 56 -16.194 0.547 -5.627 362 3HG2 THR 56 3HG2 THR 56 -15.814 0.208 -7.333 363 H ALA 57 H ALA 57 -14.907 2.449 -3.078 364 HA ALA 57 HA ALA 57 -15.301 -0.076 -1.660 365 1HB ALA 57 1HB ALA 57 -14.731 2.619 -0.902 366 2HB ALA 57 2HB ALA 57 -16.352 2.221 -0.282 367 3HB ALA 57 3HB ALA 57 -14.958 1.203 0.153 368 H ASP 58 H ASP 58 -17.222 -1.135 -1.745 369 HA ASP 58 HA ASP 58 -19.213 -0.268 -3.442 370 1HB ASP 58 1HB ASP 58 -19.838 -2.098 -1.129 371 2HB ASP 58 2HB ASP 58 -20.348 -2.233 -2.820 372 HD2 ASP 58 HD2 ASP 58 -16.838 -3.384 -3.327 373 H ALA 59 H ALA 59 -21.545 0.248 -2.796 374 HA ALA 59 HA ALA 59 -21.865 2.452 -1.344 375 1HB ALA 59 1HB ALA 59 -24.183 0.925 -0.795 376 2HB ALA 59 2HB ALA 59 -23.919 2.038 -2.158 377 3HB ALA 59 3HB ALA 59 -23.547 0.306 -2.338 378 H ASN 60 H ASN 60 -21.503 -0.864 -0.074 379 HA ASN 60 HA ASN 60 -22.111 0.036 2.577 380 1HB ASN 60 1HB ASN 60 -22.609 -2.310 1.509 381 2HB ASN 60 2HB ASN 60 -20.911 -2.666 1.851 382 1HD2 ASN 60 1HD2 ASN 60 -22.584 -4.270 3.022 383 2HD2 ASN 60 2HD2 ASN 60 -22.807 -3.940 4.708 384 H GLY 61 H GLY 61 -19.852 1.334 1.238 385 1HA GLY 61 1HA GLY 61 -17.619 1.698 1.378 386 2HA GLY 61 2HA GLY 61 -17.928 1.520 3.094 387 H SER 62 H SER 62 -18.093 -0.986 0.483 388 HA SER 62 HA SER 62 -16.088 -2.444 2.013 389 1HB SER 62 1HB SER 62 -18.420 -3.307 0.299 390 2HB SER 62 2HB SER 62 -17.070 -4.422 0.578 391 HG SER 62 HG SER 62 -18.334 -3.088 2.784 392 H ALA 63 H ALA 63 -14.093 -2.013 1.097 393 HA ALA 63 HA ALA 63 -13.964 -1.998 -1.837 394 1HB ALA 63 1HB ALA 63 -12.293 -0.424 -1.671 395 2HB ALA 63 2HB ALA 63 -13.165 -0.054 -0.164 396 3HB ALA 63 3HB ALA 63 -11.697 -1.059 -0.119 397 H SER 64 H SER 64 -13.960 -4.303 -2.083 398 HA SER 64 HA SER 64 -11.787 -5.668 -0.750 399 1HB SER 64 1HB SER 64 -12.869 -7.720 -1.787 400 2HB SER 64 2HB SER 64 -13.879 -6.844 -0.624 401 HG SER 64 HG SER 64 -14.134 -5.994 -3.294 402 H THR 65 H THR 65 -10.055 -4.630 -1.999 403 HA THR 65 HA THR 65 -9.985 -5.489 -4.815 404 HB THR 65 HB THR 65 -9.881 -2.946 -3.911 405 HG1 THR 65 1HG THR 65 -8.050 -4.206 -5.833 406 1HG2 THR 65 1HG2 THR 65 -6.979 -3.937 -3.891 407 2HG2 THR 65 2HG2 THR 65 -7.480 -2.227 -3.881 408 3HG2 THR 65 3HG2 THR 65 -7.852 -3.273 -2.489 409 H SER 66 H SER 66 -8.555 -6.985 -5.446 410 HA SER 66 HA SER 66 -6.648 -7.807 -3.422 411 1HB SER 66 1HB SER 66 -6.553 -9.922 -4.555 412 2HB SER 66 2HB SER 66 -8.265 -9.477 -4.439 413 HG SER 66 HG SER 66 -8.388 -9.378 -6.583 414 H LEU 67 H LEU 67 -4.390 -7.896 -3.858 415 HA LEU 67 HA LEU 67 -3.459 -7.271 -6.506 416 1HB LEU 67 1HB LEU 67 -3.949 -5.172 -4.729 417 2HB LEU 67 2HB LEU 67 -2.194 -5.414 -4.699 418 HG LEU 67 HG LEU 67 -2.976 -3.709 -6.330 419 1HD1 LEU 67 1HD1 LEU 67 -0.832 -4.948 -6.587 420 2HD1 LEU 67 2HD1 LEU 67 -1.670 -6.093 -7.665 421 3HD1 LEU 67 3HD1 LEU 67 -1.527 -4.379 -8.124 422 1HD2 LEU 67 1HD2 LEU 67 -5.103 -4.847 -6.928 423 2HD2 LEU 67 2HD2 LEU 67 -4.147 -4.327 -8.337 424 3HD2 LEU 67 3HD2 LEU 67 -4.163 -6.040 -7.856 425 H THR 68 H THR 68 -0.812 -6.805 -6.051 426 HA THR 68 HA THR 68 -0.047 -9.210 -4.542 427 HB THR 68 HB THR 68 0.386 -9.023 -7.068 428 HG1 THR 68 1HG THR 68 1.960 -10.375 -6.305 429 1HG2 THR 68 1HG2 THR 68 2.351 -6.915 -6.027 430 2HG2 THR 68 2HG2 THR 68 2.491 -7.706 -7.616 431 3HG2 THR 68 3HG2 THR 68 1.088 -6.671 -7.260 432 H VAL 69 H VAL 69 1.183 -9.100 -2.758 433 HA VAL 69 HA VAL 69 1.918 -6.434 -1.881 434 HB VAL 69 HB VAL 69 2.094 -9.089 -0.449 435 1HG1 VAL 69 1HG1 VAL 69 2.112 -7.706 1.591 436 2HG1 VAL 69 2HG1 VAL 69 3.496 -7.339 0.536 437 3HG1 VAL 69 3HG1 VAL 69 2.101 -6.235 0.591 438 1HG2 VAL 69 1HG2 VAL 69 -0.060 -8.784 0.409 439 2HG2 VAL 69 2HG2 VAL 69 -0.109 -7.068 -0.056 440 3HG2 VAL 69 3HG2 VAL 69 -0.232 -8.331 -1.304 441 H ARG 70 H ARG 70 3.661 -5.982 -3.344 442 HA ARG 70 HA ARG 70 5.917 -7.776 -3.058 443 1HB ARG 70 1HB ARG 70 5.621 -5.424 -4.975 444 2HB ARG 70 2HB ARG 70 6.808 -6.737 -5.081 445 1HG ARG 70 1HG ARG 70 4.064 -7.751 -4.976 446 2HG ARG 70 2HG ARG 70 4.281 -6.628 -6.330 447 1HD ARG 70 1HD ARG 70 5.706 -8.046 -7.433 448 2HD ARG 70 2HD ARG 70 6.470 -8.624 -5.944 449 HE ARG 70 HE ARG 70 3.826 -9.616 -5.935 450 1HH1 ARG 70 1HH1 ARG 70 6.703 -9.945 -7.935 451 2HH1 ARG 70 2HH1 ARG 70 6.308 -11.544 -8.465 452 1HH2 ARG 70 1HH2 ARG 70 3.305 -11.728 -6.635 453 2HH2 ARG 70 2HH2 ARG 70 4.362 -12.567 -7.719 454 H ARG 71 H ARG 71 7.129 -7.190 -1.260 455 HA ARG 71 HA ARG 71 7.217 -4.495 -0.427 456 1HB ARG 71 1HB ARG 71 7.363 -6.555 1.069 457 2HB ARG 71 2HB ARG 71 9.017 -6.794 0.480 458 1HG ARG 71 1HG ARG 71 9.806 -4.870 1.550 459 2HG ARG 71 2HG ARG 71 8.209 -4.104 1.602 460 1HD ARG 71 1HD ARG 71 8.991 -4.886 3.844 461 2HD ARG 71 2HD ARG 71 7.484 -5.673 3.353 462 HE ARG 71 HE ARG 71 9.281 -7.476 2.454 463 1HH1 ARG 71 1HH1 ARG 71 9.189 -5.743 5.517 464 2HH1 ARG 71 2HH1 ARG 71 9.992 -7.000 6.398 465 1HH2 ARG 71 1HH2 ARG 71 10.342 -9.134 3.617 466 2HH2 ARG 71 2HH2 ARG 71 10.652 -8.940 5.310 467 H SER 72 H SER 72 9.234 -6.686 -2.377 468 HA SER 72 HA SER 72 11.394 -4.767 -2.362 469 1HB SER 72 1HB SER 72 11.065 -7.589 -3.408 470 2HB SER 72 2HB SER 72 12.451 -6.595 -3.897 471 HG SER 72 HG SER 72 12.172 -6.435 -1.195 472 H PHE 73 H PHE 73 11.777 -3.348 -4.053 473 HA PHE 73 HA PHE 73 11.414 -3.708 -6.680 474 1HB PHE 73 1HB PHE 73 8.875 -3.486 -5.218 475 2HB PHE 73 2HB PHE 73 9.025 -2.134 -6.344 476 HD1 PHE 73 1HD PHE 73 7.185 -4.755 -6.214 477 HD2 PHE 73 2HD PHE 73 10.516 -3.532 -8.542 478 HE1 PHE 73 1HE PHE 73 6.427 -6.247 -8.083 479 HE2 PHE 73 2HE PHE 73 9.759 -5.025 -10.410 480 HZ PHE 73 HZ PHE 73 7.722 -6.365 -10.159 481 H GLU 74 H GLU 74 10.823 -1.436 -7.862 482 HA GLU 74 HA GLU 74 12.571 0.409 -6.576 483 1HB GLU 74 1HB GLU 74 12.700 0.003 -8.997 484 2HB GLU 74 2HB GLU 74 11.041 0.594 -9.208 485 1HG GLU 74 1HG GLU 74 12.061 2.588 -9.621 486 2HG GLU 74 2HG GLU 74 12.184 2.701 -7.860 487 HE2 GLU 74 HE2 GLU 74 15.583 2.914 -8.280 488 H GLY 75 H GLY 75 11.953 2.033 -5.217 489 1HA GLY 75 1HA GLY 75 9.103 2.601 -4.951 490 2HA GLY 75 2HA GLY 75 10.396 3.081 -3.869 491 H PHE 76 H PHE 76 8.355 4.874 -4.794 492 HA PHE 76 HA PHE 76 10.043 6.717 -6.320 493 1HB PHE 76 1HB PHE 76 7.763 5.370 -7.248 494 2HB PHE 76 2HB PHE 76 7.074 6.887 -6.661 495 HD1 PHE 76 1HD PHE 76 8.730 5.260 -9.354 496 HD2 PHE 76 2HD PHE 76 8.133 9.058 -7.557 497 HE1 PHE 76 1HE PHE 76 9.407 6.379 -11.495 498 HE2 PHE 76 2HE PHE 76 8.810 10.177 -9.699 499 HZ PHE 76 HZ PHE 76 9.438 8.825 -11.642 500 H LEU 77 H LEU 77 10.243 8.696 -5.365 501 HA LEU 77 HA LEU 77 8.994 9.145 -2.870 502 1HB LEU 77 1HB LEU 77 10.559 10.989 -4.671 503 2HB LEU 77 2HB LEU 77 10.129 11.319 -2.983 504 HG LEU 77 HG LEU 77 11.437 9.159 -2.449 505 1HD1 LEU 77 1HD1 LEU 77 13.378 9.039 -4.278 506 2HD1 LEU 77 2HD1 LEU 77 11.914 8.031 -4.362 507 3HD1 LEU 77 3HD1 LEU 77 12.035 9.510 -5.344 508 1HD2 LEU 77 1HD2 LEU 77 12.401 11.879 -3.052 509 2HD2 LEU 77 2HD2 LEU 77 12.586 10.883 -1.586 510 3HD2 LEU 77 3HD2 LEU 77 13.668 10.630 -2.978 511 H PHE 78 H PHE 78 7.476 10.826 -2.286 512 HA PHE 78 HA PHE 78 5.414 11.070 -4.257 513 1HB PHE 78 1HB PHE 78 4.160 11.850 -2.355 514 2HB PHE 78 2HB PHE 78 5.304 10.704 -1.649 515 HD1 PHE 78 1HD PHE 78 7.321 11.587 -0.467 516 HD2 PHE 78 2HD PHE 78 4.193 14.138 -1.776 517 HE1 PHE 78 1HE PHE 78 8.140 13.384 1.082 518 HE2 PHE 78 2HE PHE 78 5.010 15.937 -0.229 519 HZ PHE 78 HZ PHE 78 6.975 15.539 1.182 520 H ASP 79 H ASP 79 8.180 12.928 -3.265 521 HA ASP 79 HA ASP 79 7.211 15.481 -3.592 522 1HB ASP 79 1HB ASP 79 9.351 15.380 -2.679 523 2HB ASP 79 2HB ASP 79 9.905 14.148 -3.824 524 HD2 ASP 79 HD2 ASP 79 9.928 17.890 -5.192 525 H GLY 80 H GLY 80 8.772 13.154 -5.910 526 1HA GLY 80 1HA GLY 80 7.313 13.601 -8.125 527 2HA GLY 80 2HA GLY 80 8.435 14.945 -8.156 528 H THR 81 H THR 81 10.530 13.269 -6.662 529 HA THR 81 HA THR 81 11.573 11.980 -9.057 530 HB THR 81 HB THR 81 12.966 13.623 -7.797 531 HG1 THR 81 1HG THR 81 13.935 11.706 -8.821 532 1HG2 THR 81 1HG2 THR 81 13.744 11.986 -5.573 533 2HG2 THR 81 2HG2 THR 81 12.991 13.597 -5.513 534 3HG2 THR 81 3HG2 THR 81 11.971 12.138 -5.501 535 H ARG 82 H ARG 82 12.868 9.884 -8.664 536 HA ARG 82 HA ARG 82 11.121 8.181 -7.079 537 1HB ARG 82 1HB ARG 82 11.784 6.345 -8.618 538 2HB ARG 82 2HB ARG 82 11.066 7.694 -9.515 539 1HG ARG 82 1HG ARG 82 13.010 8.149 -10.609 540 2HG ARG 82 2HG ARG 82 14.009 7.887 -9.167 541 1HD ARG 82 1HD ARG 82 14.644 5.915 -10.065 542 2HD ARG 82 2HD ARG 82 12.987 5.331 -9.854 543 HE ARG 82 HE ARG 82 12.826 6.750 -12.200 544 1HH1 ARG 82 1HH1 ARG 82 15.033 4.245 -11.087 545 2HH1 ARG 82 2HH1 ARG 82 15.338 3.628 -12.676 546 1HH2 ARG 82 1HH2 ARG 82 13.226 5.937 -14.298 547 2HH2 ARG 82 2HH2 ARG 82 14.303 4.596 -14.515 548 H TRP 83 H TRP 83 12.132 6.437 -5.825 549 HA TRP 83 HA TRP 83 14.923 7.053 -5.179 550 1HB TRP 83 1HB TRP 83 13.516 7.301 -3.301 551 2HB TRP 83 2HB TRP 83 12.691 5.771 -3.609 552 HD1 TRP 83 HD TRP 83 14.012 3.515 -2.838 553 HE1 TRP 83 1HE TRP 83 16.005 3.010 -1.182 554 HE3 TRP 83 3HE TRP 83 15.651 8.318 -2.509 555 HZ2 TRP 83 2HZ TRP 83 17.997 4.640 0.051 556 HZ3 TRP 83 3HZ TRP 83 17.626 8.774 -1.058 557 HH2 TRP 83 HH TRP 83 18.789 7.029 0.195 558 H GLY 84 H GLY 84 13.144 4.019 -4.510 559 1HA GLY 84 1HA GLY 84 13.479 2.303 -6.417 560 2HA GLY 84 2HA GLY 84 15.175 2.570 -6.066 561 H THR 85 H THR 85 15.897 2.260 -3.726 562 HA THR 85 HA THR 85 16.055 1.006 -1.896 563 HB THR 85 HB THR 85 13.043 1.177 -2.259 564 HG1 THR 85 1HG THR 85 14.883 1.869 -0.092 565 1HG2 THR 85 1HG2 THR 85 14.609 -0.567 -0.345 566 2HG2 THR 85 2HG2 THR 85 13.210 0.332 0.287 567 3HG2 THR 85 3HG2 THR 85 12.992 -0.834 -1.039 568 H VAL 86 H VAL 86 13.504 -0.608 -3.916 569 HA VAL 86 HA VAL 86 13.588 -2.569 -4.976 570 HB VAL 86 HB VAL 86 15.546 -3.568 -5.536 571 1HG1 VAL 86 1HG1 VAL 86 16.847 -1.861 -6.211 572 2HG1 VAL 86 2HG1 VAL 86 15.678 -0.822 -5.362 573 3HG1 VAL 86 3HG1 VAL 86 17.177 -1.328 -4.545 574 1HG2 VAL 86 1HG2 VAL 86 17.530 -3.136 -3.627 575 2HG2 VAL 86 2HG2 VAL 86 16.067 -3.457 -2.668 576 3HG2 VAL 86 3HG2 VAL 86 16.610 -4.637 -3.883 577 H ASP 87 H ASP 87 14.386 -2.094 -1.600 578 HA ASP 87 HA ASP 87 12.900 -4.514 -1.038 579 1HB ASP 87 1HB ASP 87 15.611 -4.501 -0.763 580 2HB ASP 87 2HB ASP 87 15.153 -3.868 0.826 581 HD2 ASP 87 HD2 ASP 87 15.272 -7.597 0.629 582 H CYS 88 H CYS 88 11.089 -3.505 -0.098 583 HA CYS 88 HA CYS 88 11.530 -1.200 1.593 584 1HB CYS 88 1HB CYS 88 9.771 -1.009 -0.004 585 2HB CYS 88 2HB CYS 88 9.026 -2.517 0.534 586 H THR 89 H THR 89 12.720 -3.539 2.617 587 HA THR 89 HA THR 89 10.824 -4.686 4.509 588 HB THR 89 HB THR 89 12.458 -6.105 3.207 589 HG1 THR 89 1HG THR 89 12.199 -7.188 5.121 590 1HG2 THR 89 1HG2 THR 89 14.781 -5.722 4.812 591 2HG2 THR 89 2HG2 THR 89 14.636 -5.425 3.061 592 3HG2 THR 89 3HG2 THR 89 14.340 -4.102 4.217 593 H THR 90 H THR 90 12.958 -2.008 4.292 594 HA THR 90 HA THR 90 13.514 -2.001 7.149 595 HB THR 90 HB THR 90 14.318 -0.301 4.742 596 HG1 THR 90 1HG THR 90 16.286 -1.371 5.254 597 1HG2 THR 90 1HG2 THR 90 14.127 0.641 7.429 598 2HG2 THR 90 2HG2 THR 90 15.832 0.188 7.195 599 3HG2 THR 90 3HG2 THR 90 15.070 1.371 6.105 600 H ALA 91 H ALA 91 11.764 0.038 4.717 601 HA ALA 91 HA ALA 91 10.521 1.461 6.925 602 1HB ALA 91 1HB ALA 91 9.759 2.988 5.210 603 2HB ALA 91 2HB ALA 91 11.474 2.623 4.898 604 3HB ALA 91 3HB ALA 91 10.206 1.842 3.923 605 H ALA 92 H ALA 92 8.676 0.696 7.818 606 HA ALA 92 HA ALA 92 7.302 -1.498 6.890 607 1HB ALA 92 1HB ALA 92 7.216 0.278 9.073 608 2HB ALA 92 2HB ALA 92 5.590 0.347 8.352 609 3HB ALA 92 3HB ALA 92 6.269 -1.216 8.867 610 H CYS 93 H CYS 93 6.324 -1.730 4.940 611 HA CYS 93 HA CYS 93 5.279 0.593 3.617 612 1HB CYS 93 1HB CYS 93 4.745 -2.083 2.500 613 2HB CYS 93 2HB CYS 93 5.338 -0.616 1.715 614 H GLN 94 H GLN 94 3.165 1.273 3.793 615 HA GLN 94 HA GLN 94 1.347 -0.568 5.111 616 1HB GLN 94 1HB GLN 94 0.117 1.322 5.849 617 2HB GLN 94 2HB GLN 94 1.817 1.779 6.044 618 1HG GLN 94 1HG GLN 94 1.469 2.696 3.552 619 2HG GLN 94 2HG GLN 94 -0.225 2.758 4.055 620 1HE2 GLN 94 1HE2 GLN 94 3.047 3.850 4.699 621 2HE2 GLN 94 2HE2 GLN 94 2.654 5.259 5.624 622 H VAL 95 H VAL 95 -0.118 -1.642 3.864 623 HA VAL 95 HA VAL 95 -0.538 -0.723 1.154 624 HB VAL 95 HB VAL 95 -1.810 -3.107 2.474 625 1HG1 VAL 95 1HG1 VAL 95 -2.572 -3.423 0.400 626 2HG1 VAL 95 2HG1 VAL 95 -1.620 -2.048 -0.211 627 3HG1 VAL 95 3HG1 VAL 95 -0.894 -3.672 -0.135 628 1HG2 VAL 95 1HG2 VAL 95 1.070 -2.712 1.725 629 2HG2 VAL 95 2HG2 VAL 95 0.359 -3.590 3.099 630 3HG2 VAL 95 3HG2 VAL 95 0.313 -4.303 1.469 631 H GLY 96 H GLY 96 -1.991 0.888 0.835 632 1HA GLY 96 1HA GLY 96 -4.679 0.530 1.869 633 2HA GLY 96 2HA GLY 96 -3.823 1.931 2.484 634 H LEU 97 H LEU 97 -5.992 2.647 1.148 635 HA LEU 97 HA LEU 97 -5.139 3.164 -1.610 636 1HB LEU 97 1HB LEU 97 -7.496 3.597 -2.058 637 2HB LEU 97 2HB LEU 97 -7.194 1.947 -1.487 638 HG LEU 97 HG LEU 97 -8.128 4.122 0.381 639 1HD1 LEU 97 1HD1 LEU 97 -10.163 4.203 -0.493 640 2HD1 LEU 97 2HD1 LEU 97 -9.589 3.218 -1.860 641 3HD1 LEU 97 3HD1 LEU 97 -10.302 2.430 -0.433 642 1HD2 LEU 97 1HD2 LEU 97 -7.923 2.498 1.877 643 2HD2 LEU 97 2HD2 LEU 97 -9.210 1.606 1.030 644 3HD2 LEU 97 3HD2 LEU 97 -7.504 1.320 0.612 645 H SER 98 H SER 98 -4.300 5.133 -2.002 646 HA SER 98 HA SER 98 -4.633 7.153 -0.013 647 1HB SER 98 1HB SER 98 -2.447 6.934 -0.966 648 2HB SER 98 2HB SER 98 -3.076 7.003 -2.623 649 HG SER 98 HG SER 98 -3.623 9.220 -2.283 650 H ASP 99 H ASP 99 -6.029 8.903 -0.118 651 HA ASP 99 HA ASP 99 -8.076 8.855 -1.977 652 1HB ASP 99 1HB ASP 99 -7.333 11.423 -0.598 653 2HB ASP 99 2HB ASP 99 -8.933 10.693 -0.800 654 HD2 ASP 99 HD2 ASP 99 -8.750 9.134 2.246 655 H ALA 100 H ALA 100 -8.624 10.781 -3.489 656 HA ALA 100 HA ALA 100 -6.254 11.429 -5.020 657 1HB ALA 100 1HB ALA 100 -7.860 10.844 -6.532 658 2HB ALA 100 2HB ALA 100 -9.196 11.287 -5.442 659 3HB ALA 100 3HB ALA 100 -8.342 12.549 -6.362 660 H ALA 101 H ALA 101 -7.301 12.638 -2.249 661 HA ALA 101 HA ALA 101 -7.446 15.430 -3.059 662 1HB ALA 101 1HB ALA 101 -8.001 13.842 -0.559 663 2HB ALA 101 2HB ALA 101 -7.686 15.588 -0.435 664 3HB ALA 101 3HB ALA 101 -9.044 14.998 -1.422 665 H GLY 102 H GLY 102 -5.154 13.019 -2.098 666 1HA GLY 102 1HA GLY 102 -2.847 13.472 -2.275 667 2HA GLY 102 2HA GLY 102 -3.125 15.123 -1.755 668 H ASN 103 H ASN 103 -4.406 12.050 -0.327 669 HA ASN 103 HA ASN 103 -2.699 12.531 1.965 670 1HB ASN 103 1HB ASN 103 -5.536 11.679 2.492 671 2HB ASN 103 2HB ASN 103 -4.456 12.639 3.515 672 1HD2 ASN 103 1HD2 ASN 103 -3.661 14.675 2.047 673 2HD2 ASN 103 2HD2 ASN 103 -4.971 15.665 1.492 674 H GLY 104 H GLY 104 -2.411 10.518 3.275 675 1HA GLY 104 1HA GLY 104 -3.436 8.073 1.979 676 2HA GLY 104 2HA GLY 104 -1.727 8.268 2.308 677 HA PRO 105 HA PRO 105 -3.782 8.111 6.560 678 1HB PRO 105 1HB PRO 105 -6.504 8.093 6.798 679 2HB PRO 105 2HB PRO 105 -5.534 9.560 6.915 680 1HG PRO 105 1HG PRO 105 -7.204 8.560 4.696 681 2HG PRO 105 2HG PRO 105 -6.627 10.239 4.999 682 1HD PRO 105 1HD PRO 105 -5.662 8.343 3.079 683 2HD PRO 105 2HD PRO 105 -4.958 9.924 3.448 684 H GLU 106 H GLU 106 -5.484 6.361 4.086 685 HA GLU 106 HA GLU 106 -5.821 4.135 5.857 686 1HB GLU 106 1HB GLU 106 -6.832 4.993 3.248 687 2HB GLU 106 2HB GLU 106 -6.407 3.272 3.252 688 1HG GLU 106 1HG GLU 106 -8.719 3.483 3.933 689 2HG GLU 106 2HG GLU 106 -7.787 3.020 5.364 690 HE2 GLU 106 HE2 GLU 106 -9.033 6.817 5.181 691 H GLY 107 H GLY 107 -4.697 2.140 5.757 692 1HA GLY 107 1HA GLY 107 -3.161 0.943 4.034 693 2HA GLY 107 2HA GLY 107 -2.110 2.303 4.375 694 H VAL 108 H VAL 108 -2.479 -0.846 5.125 695 HA VAL 108 HA VAL 108 -1.850 -0.487 7.966 696 HB VAL 108 HB VAL 108 -3.770 -1.976 7.077 697 1HG1 VAL 108 1HG1 VAL 108 -3.177 -4.241 6.460 698 2HG1 VAL 108 2HG1 VAL 108 -2.381 -3.106 5.343 699 3HG1 VAL 108 3HG1 VAL 108 -1.444 -3.878 6.644 700 1HG2 VAL 108 1HG2 VAL 108 -3.708 -2.578 9.221 701 2HG2 VAL 108 2HG2 VAL 108 -2.496 -3.817 8.819 702 3HG2 VAL 108 3HG2 VAL 108 -1.973 -2.187 9.311 703 H ALA 109 H ALA 109 0.235 -0.678 8.602 704 HA ALA 109 HA ALA 109 2.281 -1.094 6.758 705 1HB ALA 109 1HB ALA 109 2.218 0.048 9.116 706 2HB ALA 109 2HB ALA 109 2.586 -1.584 9.722 707 3HB ALA 109 3HB ALA 109 3.703 -0.782 8.592 708 H ILE 110 H ILE 110 1.833 -3.029 5.569 709 HA ILE 110 HA ILE 110 1.807 -5.494 7.111 710 HB ILE 110 HB ILE 110 0.279 -4.798 5.090 711 1HG1 ILE 110 1HG1 ILE 110 0.556 -7.007 6.468 712 2HG1 ILE 110 2HG1 ILE 110 -0.381 -6.991 4.964 713 1HG2 ILE 110 1HG2 ILE 110 1.024 -5.472 2.941 714 2HG2 ILE 110 2HG2 ILE 110 2.288 -4.410 3.608 715 3HG2 ILE 110 3HG2 ILE 110 2.520 -6.175 3.600 716 1HD1 ILE 110 1HD1 ILE 110 1.387 -8.884 5.328 717 2HD1 ILE 110 2HD1 ILE 110 1.346 -8.065 3.748 718 3HD1 ILE 110 3HD1 ILE 110 2.587 -7.625 4.947 719 H SER 111 H SER 111 3.453 -7.022 7.083 720 HA SER 111 HA SER 111 5.341 -7.631 5.513 721 1HB SER 111 1HB SER 111 7.325 -6.030 6.011 722 2HB SER 111 2HB SER 111 6.115 -5.511 4.824 723 HG SER 111 HG SER 111 5.756 -3.807 6.053 724 H PHE 112 H PHE 112 5.836 -5.694 8.565 725 HA PHE 112 HA PHE 112 7.239 -6.379 10.269 726 1HB PHE 112 1HB PHE 112 4.446 -7.496 10.185 727 2HB PHE 112 2HB PHE 112 5.470 -8.146 11.469 728 HD1 PHE 112 1HD PHE 112 3.821 -5.139 10.162 729 HD2 PHE 112 2HD PHE 112 6.131 -6.763 13.328 730 HE1 PHE 112 1HE PHE 112 3.315 -3.120 11.566 731 HE2 PHE 112 2HE PHE 112 5.624 -4.746 14.733 732 HZ PHE 112 HZ PHE 112 4.223 -2.949 13.834 733 H ASN 113 H ASN 113 8.730 -7.635 8.630 734 HA ASN 113 HA ASN 113 8.478 -10.343 8.318 735 1HB ASN 113 1HB ASN 113 10.819 -10.319 7.697 736 2HB ASN 113 2HB ASN 113 10.146 -8.767 7.178 737 1HD2 ASN 113 1HD2 ASN 113 10.744 -6.893 8.177 738 2HD2 ASN 113 2HD2 ASN 113 12.059 -6.762 9.297 739 6H NCZ 130 6H NCZ 130 0.973 13.671 -0.624 740 6H1 NCZ 130 6H1 NCZ 130 -0.760 11.330 -0.499 741 5H1 NCZ 130 5H1 NCZ 130 -0.714 12.788 1.706 742 4H1 NCZ 130 4H1 NCZ 130 1.777 12.253 2.754 743 5H NCZ 130 5H NCZ 130 3.842 11.652 -0.176 744 3H1 NCZ 130 3H1 NCZ 130 2.639 10.417 1.398 745 2H1 NCZ 130 2H1 NCZ 130 1.710 11.138 -1.108 746 2H NCZ 130 2H NCZ 130 -0.070 7.976 -3.876 747 8H NCZ 130 8H NCZ 130 -1.046 4.954 -3.383 748 7H NCZ 130 7H NCZ 130 -1.713 3.945 -1.228 749 3H NCZ 130 3H NCZ 130 -0.777 4.891 3.284 750 1H17 NCZ 130 1H17 NCZ 130 1.497 8.426 4.858 751 2H17 NCZ 130 2H17 NCZ 130 2.079 8.516 3.179 752 3H17 NCZ 130 3H17 NCZ 130 0.421 9.023 3.573 753 1H18 NCZ 130 1H18 NCZ 130 -1.715 3.008 0.341 754 2H18 NCZ 130 2H18 NCZ 130 -1.537 3.016 2.111 755 3H18 NCZ 130 3H18 NCZ 130 -2.865 3.920 1.347 756 1H NCZ 130 1H NCZ 130 1.272 7.940 1.165 Start of MODEL 5 1 H ALA 1 H ALA 1 -11.553 -10.580 10.646 2 HA ALA 1 HA ALA 1 -10.738 -9.187 9.127 3 1HB ALA 1 1HB ALA 1 -12.638 -8.896 7.935 4 2HB ALA 1 2HB ALA 1 -13.613 -8.586 9.392 5 3HB ALA 1 3HB ALA 1 -12.672 -7.268 8.655 6 H ALA 2 H ALA 2 -10.221 -6.752 8.610 7 HA ALA 2 HA ALA 2 -9.680 -5.452 11.191 8 1HB ALA 2 1HB ALA 2 -7.546 -5.112 10.509 9 2HB ALA 2 2HB ALA 2 -7.884 -6.379 9.305 10 3HB ALA 2 3HB ALA 2 -8.050 -4.664 8.862 11 HA PRO 3 HA PRO 3 -11.699 -1.914 9.730 12 1HB PRO 3 1HB PRO 3 -10.135 0.180 10.525 13 2HB PRO 3 2HB PRO 3 -11.212 -0.687 11.618 14 1HG PRO 3 1HG PRO 3 -8.282 -0.840 11.329 15 2HG PRO 3 2HG PRO 3 -9.298 -1.343 12.726 16 1HD PRO 3 1HD PRO 3 -8.028 -2.998 10.766 17 2HD PRO 3 2HD PRO 3 -9.151 -3.527 12.027 18 H THR 4 H THR 4 -11.844 -0.011 8.288 19 HA THR 4 HA THR 4 -11.608 0.502 6.093 20 HB THR 4 HB THR 4 -9.832 2.069 5.943 21 HG1 THR 4 1HG THR 4 -7.862 1.101 6.203 22 1HG2 THR 4 1HG2 THR 4 -9.888 3.156 7.975 23 2HG2 THR 4 2HG2 THR 4 -11.028 1.870 8.443 24 3HG2 THR 4 3HG2 THR 4 -9.303 1.723 8.853 25 H ALA 5 H ALA 5 -8.938 0.482 4.680 26 HA ALA 5 HA ALA 5 -9.271 -2.168 3.598 27 1HB ALA 5 1HB ALA 5 -8.906 -0.802 1.820 28 2HB ALA 5 2HB ALA 5 -8.071 0.423 2.805 29 3HB ALA 5 3HB ALA 5 -7.188 -1.015 2.237 30 H THR 6 H THR 6 -8.123 -3.921 4.233 31 HA THR 6 HA THR 6 -5.399 -3.520 5.188 32 HB THR 6 HB THR 6 -6.185 -5.209 7.117 33 HG1 THR 6 1HG THR 6 -8.511 -3.614 6.289 34 1HG2 THR 6 1HG2 THR 6 -7.083 -2.288 7.268 35 2HG2 THR 6 2HG2 THR 6 -6.606 -3.340 8.622 36 3HG2 THR 6 3HG2 THR 6 -5.384 -2.787 7.451 37 H VAL 7 H VAL 7 -4.025 -5.259 4.828 38 HA VAL 7 HA VAL 7 -4.932 -7.032 2.790 39 HB VAL 7 HB VAL 7 -2.568 -5.902 3.442 40 1HG1 VAL 7 1HG1 VAL 7 -2.492 -8.728 4.539 41 2HG1 VAL 7 2HG1 VAL 7 -1.037 -7.804 4.092 42 3HG1 VAL 7 3HG1 VAL 7 -2.104 -7.212 5.388 43 1HG2 VAL 7 1HG2 VAL 7 -3.041 -6.758 1.256 44 2HG2 VAL 7 2HG2 VAL 7 -1.545 -7.541 1.822 45 3HG2 VAL 7 3HG2 VAL 7 -3.085 -8.433 1.856 46 H THR 8 H THR 8 -5.661 -9.110 2.959 47 HA THR 8 HA THR 8 -6.793 -10.161 5.116 48 HB THR 8 HB THR 8 -5.508 -11.227 2.643 49 HG1 THR 8 1HG THR 8 -7.734 -10.950 2.571 50 1HG2 THR 8 1HG2 THR 8 -4.722 -12.840 4.509 51 2HG2 THR 8 2HG2 THR 8 -6.446 -13.146 4.828 52 3HG2 THR 8 3HG2 THR 8 -5.746 -13.560 3.245 53 HA PRO 9 HA PRO 9 -2.889 -12.082 6.837 54 1HB PRO 9 1HB PRO 9 -0.489 -11.829 5.556 55 2HB PRO 9 2HB PRO 9 -1.552 -13.220 5.348 56 1HG PRO 9 1HG PRO 9 -1.065 -10.919 3.565 57 2HG PRO 9 2HG PRO 9 -1.749 -12.532 3.153 58 1HD PRO 9 1HD PRO 9 -3.124 -10.037 3.450 59 2HD PRO 9 2HD PRO 9 -3.862 -11.625 3.201 60 H SER 10 H SER 10 -0.261 -11.267 7.365 61 HA SER 10 HA SER 10 -0.482 -8.428 7.709 62 1HB SER 10 1HB SER 10 0.059 -8.688 10.206 63 2HB SER 10 2HB SER 10 -1.613 -9.013 9.718 64 HG SER 10 HG SER 10 -0.230 -10.593 11.184 65 H SER 11 H SER 11 1.352 -11.156 9.281 66 HA SER 11 HA SER 11 3.766 -9.891 8.242 67 1HB SER 11 1HB SER 11 4.222 -9.877 10.473 68 2HB SER 11 2HB SER 11 3.074 -11.177 10.834 69 HG SER 11 HG SER 11 5.610 -11.468 10.944 70 H GLY 12 H GLY 12 5.569 -11.430 7.636 71 1HA GLY 12 1HA GLY 12 6.366 -13.451 6.885 72 2HA GLY 12 2HA GLY 12 4.790 -14.181 7.109 73 H LEU 13 H LEU 13 5.087 -11.062 5.431 74 HA LEU 13 HA LEU 13 4.097 -12.353 3.027 75 1HB LEU 13 1HB LEU 13 4.361 -9.465 3.839 76 2HB LEU 13 2HB LEU 13 3.706 -10.019 2.287 77 HG LEU 13 HG LEU 13 2.549 -10.489 5.049 78 1HD1 LEU 13 1HD1 LEU 13 0.746 -9.253 3.201 79 2HD1 LEU 13 2HD1 LEU 13 1.392 -8.626 4.738 80 3HD1 LEU 13 3HD1 LEU 13 2.275 -8.342 3.218 81 1HD2 LEU 13 1HD2 LEU 13 0.731 -11.678 4.008 82 2HD2 LEU 13 2HD2 LEU 13 1.431 -11.423 2.392 83 3HD2 LEU 13 3HD2 LEU 13 2.268 -12.463 3.571 84 H SER 14 H SER 14 5.089 -12.050 0.938 85 HA SER 14 HA SER 14 7.904 -11.324 1.179 86 1HB SER 14 1HB SER 14 7.270 -13.836 0.862 87 2HB SER 14 2HB SER 14 6.902 -13.378 -0.812 88 HG SER 14 HG SER 14 9.080 -14.116 -0.641 89 H ASP 15 H ASP 15 8.881 -10.501 -0.896 90 HA ASP 15 HA ASP 15 7.332 -8.536 -1.996 91 1HB ASP 15 1HB ASP 15 9.134 -8.374 -3.720 92 2HB ASP 15 2HB ASP 15 9.777 -8.482 -2.074 93 HD2 ASP 15 HD2 ASP 15 10.705 -11.244 -4.716 94 H GLY 16 H GLY 16 5.309 -9.736 -2.614 95 1HA GLY 16 1HA GLY 16 4.513 -10.026 -5.012 96 2HA GLY 16 2HA GLY 16 5.604 -11.397 -5.039 97 H THR 17 H THR 17 3.751 -10.360 -2.145 98 HA THR 17 HA THR 17 2.493 -12.985 -2.106 99 HB THR 17 HB THR 17 2.418 -10.728 -0.041 100 HG1 THR 17 1HG THR 17 4.591 -11.616 -0.908 101 1HG2 THR 17 1HG2 THR 17 1.948 -13.738 -0.012 102 2HG2 THR 17 2HG2 THR 17 2.447 -12.875 1.462 103 3HG2 THR 17 3HG2 THR 17 0.913 -12.458 0.661 104 H VAL 18 H VAL 18 0.735 -13.197 -3.366 105 HA VAL 18 HA VAL 18 -0.960 -10.970 -3.897 106 HB VAL 18 HB VAL 18 -1.421 -13.914 -4.405 107 1HG1 VAL 18 1HG1 VAL 18 -2.679 -11.372 -5.406 108 2HG1 VAL 18 2HG1 VAL 18 -2.633 -12.815 -6.452 109 3HG1 VAL 18 3HG1 VAL 18 -3.446 -12.886 -4.869 110 1HG2 VAL 18 1HG2 VAL 18 -0.288 -12.070 -6.482 111 2HG2 VAL 18 2HG2 VAL 18 0.798 -12.764 -5.257 112 3HG2 VAL 18 3HG2 VAL 18 -0.143 -13.836 -6.321 113 H VAL 19 H VAL 19 -2.443 -10.151 -2.523 114 HA VAL 19 HA VAL 19 -3.971 -12.036 -0.912 115 HB VAL 19 HB VAL 19 -3.689 -10.297 0.993 116 1HG1 VAL 19 1HG1 VAL 19 -2.926 -12.353 1.616 117 2HG1 VAL 19 2HG1 VAL 19 -1.908 -12.540 0.168 118 3HG1 VAL 19 3HG1 VAL 19 -1.357 -11.516 1.517 119 1HG2 VAL 19 1HG2 VAL 19 -1.344 -9.344 1.024 120 2HG2 VAL 19 2HG2 VAL 19 -1.247 -9.729 -0.712 121 3HG2 VAL 19 3HG2 VAL 19 -2.468 -8.577 -0.123 122 H LYS 20 H LYS 20 -5.830 -10.701 0.237 123 HA LYS 20 HA LYS 20 -6.761 -8.731 -1.736 124 1HB LYS 20 1HB LYS 20 -8.396 -10.694 -0.117 125 2HB LYS 20 2HB LYS 20 -9.032 -9.512 -1.274 126 1HG LYS 20 1HG LYS 20 -8.613 -10.900 -2.998 127 2HG LYS 20 2HG LYS 20 -6.921 -11.095 -2.509 128 1HD LYS 20 1HD LYS 20 -7.691 -12.789 -0.806 129 2HD LYS 20 2HD LYS 20 -9.328 -12.664 -1.472 130 1HE LYS 20 1HE LYS 20 -8.590 -13.509 -3.615 131 2HE LYS 20 2HE LYS 20 -6.886 -13.393 -3.151 132 1HZ LYS 20 1HZ LYS 20 -7.270 -15.541 -2.691 133 2HZ LYS 20 2HZ LYS 20 -7.778 -14.951 -1.256 134 3HZ LYS 20 3HZ LYS 20 -8.867 -15.352 -2.407 135 H VAL 21 H VAL 21 -7.162 -6.709 -0.994 136 HA VAL 21 HA VAL 21 -6.911 -6.315 1.880 137 HB VAL 21 HB VAL 21 -6.493 -4.703 -0.580 138 1HG1 VAL 21 1HG1 VAL 21 -8.142 -3.324 0.532 139 2HG1 VAL 21 2HG1 VAL 21 -7.280 -3.474 2.083 140 3HG1 VAL 21 3HG1 VAL 21 -6.536 -2.585 0.731 141 1HG2 VAL 21 1HG2 VAL 21 -4.505 -3.957 0.670 142 2HG2 VAL 21 2HG2 VAL 21 -5.052 -4.881 2.088 143 3HG2 VAL 21 3HG2 VAL 21 -4.605 -5.730 0.590 144 H ALA 22 H ALA 22 -8.768 -6.442 3.033 145 HA ALA 22 HA ALA 22 -11.269 -5.806 1.709 146 1HB ALA 22 1HB ALA 22 -10.386 -7.202 4.215 147 2HB ALA 22 2HB ALA 22 -12.021 -6.501 4.174 148 3HB ALA 22 3HB ALA 22 -11.546 -7.722 2.969 149 H GLY 23 H GLY 23 -12.296 -3.871 1.885 150 1HA GLY 23 1HA GLY 23 -11.174 -1.933 3.801 151 2HA GLY 23 2HA GLY 23 -12.024 -1.558 2.315 152 H ALA 24 H ALA 24 -12.372 -1.305 5.541 153 HA ALA 24 HA ALA 24 -15.260 -1.857 5.417 154 1HB ALA 24 1HB ALA 24 -13.499 -3.177 7.018 155 2HB ALA 24 2HB ALA 24 -13.903 -1.796 8.064 156 3HB ALA 24 3HB ALA 24 -15.193 -2.865 7.462 157 H GLY 25 H GLY 25 -16.115 0.141 4.975 158 1HA GLY 25 1HA GLY 25 -16.840 2.218 5.524 159 2HA GLY 25 2HA GLY 25 -15.879 2.171 6.989 160 H LEU 26 H LEU 26 -14.460 1.490 3.785 161 HA LEU 26 HA LEU 26 -12.592 3.625 4.178 162 1HB LEU 26 1HB LEU 26 -12.457 1.191 3.049 163 2HB LEU 26 2HB LEU 26 -12.702 2.182 1.599 164 HG LEU 26 HG LEU 26 -10.440 2.283 3.598 165 1HD1 LEU 26 1HD1 LEU 26 -10.395 1.950 0.589 166 2HD1 LEU 26 2HD1 LEU 26 -9.031 1.787 1.722 167 3HD1 LEU 26 3HD1 LEU 26 -10.365 0.606 1.754 168 1HD2 LEU 26 1HD2 LEU 26 -9.692 4.319 2.863 169 2HD2 LEU 26 2HD2 LEU 26 -10.547 4.203 1.305 170 3HD2 LEU 26 3HD2 LEU 26 -11.451 4.581 2.791 171 H GLN 27 H GLN 27 -12.543 3.961 1.083 172 HA GLN 27 HA GLN 27 -13.511 6.398 0.874 173 1HB GLN 27 1HB GLN 27 -13.456 4.146 -1.140 174 2HB GLN 27 2HB GLN 27 -14.031 5.756 -1.616 175 1HG GLN 27 1HG GLN 27 -11.421 5.516 -0.129 176 2HG GLN 27 2HG GLN 27 -11.455 5.077 -1.844 177 1HE2 GLN 27 1HE2 GLN 27 -12.134 7.603 0.517 178 2HE2 GLN 27 2HE2 GLN 27 -11.970 8.964 -0.542 179 H ALA 28 H ALA 28 -15.444 3.429 1.020 180 HA ALA 28 HA ALA 28 -17.659 3.110 0.591 181 1HB ALA 28 1HB ALA 28 -18.848 3.826 2.519 182 2HB ALA 28 2HB ALA 28 -17.151 3.720 3.042 183 3HB ALA 28 3HB ALA 28 -17.870 5.306 2.674 184 H GLY 29 H GLY 29 -17.969 3.855 -1.577 185 1HA GLY 29 1HA GLY 29 -19.649 5.073 -2.745 186 2HA GLY 29 2HA GLY 29 -19.371 6.448 -1.697 187 H THR 30 H THR 30 -16.458 6.394 -1.691 188 HA THR 30 HA THR 30 -16.039 7.507 -4.351 189 HB THR 30 HB THR 30 -13.982 7.591 -2.149 190 HG1 THR 30 1HG THR 30 -15.377 9.141 -1.063 191 1HG2 THR 30 1HG2 THR 30 -14.904 9.244 -4.440 192 2HG2 THR 30 2HG2 THR 30 -14.658 10.175 -2.944 193 3HG2 THR 30 3HG2 THR 30 -13.318 9.225 -3.631 194 H ALA 31 H ALA 31 -13.180 7.195 -4.393 195 HA ALA 31 HA ALA 31 -12.647 4.381 -4.322 196 1HB ALA 31 1HB ALA 31 -12.748 3.870 -6.554 197 2HB ALA 31 2HB ALA 31 -13.995 5.142 -6.542 198 3HB ALA 31 3HB ALA 31 -12.335 5.526 -7.061 199 H TYR 32 H TYR 32 -10.370 3.944 -4.613 200 HA TYR 32 HA TYR 32 -8.679 6.282 -5.018 201 1HB TYR 32 1HB TYR 32 -9.047 4.517 -2.560 202 2HB TYR 32 2HB TYR 32 -7.440 5.179 -2.877 203 HD1 TYR 32 1HD TYR 32 -8.829 5.788 -0.368 204 HD2 TYR 32 2HD TYR 32 -9.085 7.738 -4.168 205 HE1 TYR 32 1HE TYR 32 -9.512 7.952 0.781 206 HE2 TYR 32 2HE TYR 32 -9.766 9.896 -3.006 207 HH TYR 32 HH TYR 32 -9.527 10.257 0.406 208 H ASP 33 H ASP 33 -6.265 5.541 -4.994 209 HA ASP 33 HA ASP 33 -6.193 3.215 -6.675 210 1HB ASP 33 1HB ASP 33 -4.686 5.654 -6.362 211 2HB ASP 33 2HB ASP 33 -3.568 4.294 -6.181 212 HD2 ASP 33 HD2 ASP 33 -3.356 4.156 -9.577 213 H VAL 34 H VAL 34 -5.700 1.206 -5.783 214 HA VAL 34 HA VAL 34 -4.789 1.047 -3.079 215 HB VAL 34 HB VAL 34 -5.399 -0.983 -5.228 216 1HG1 VAL 34 1HG1 VAL 34 -3.616 -1.705 -3.532 217 2HG1 VAL 34 2HG1 VAL 34 -4.917 -1.647 -2.318 218 3HG1 VAL 34 3HG1 VAL 34 -5.046 -2.751 -3.708 219 1HG2 VAL 34 1HG2 VAL 34 -7.481 -1.205 -4.292 220 2HG2 VAL 34 2HG2 VAL 34 -6.925 -0.731 -2.668 221 3HG2 VAL 34 3HG2 VAL 34 -7.173 0.508 -3.923 222 H GLY 35 H GLY 35 -2.767 0.380 -2.308 223 1HA GLY 35 1HA GLY 35 -0.709 -0.741 -3.760 224 2HA GLY 35 2HA GLY 35 -0.543 0.989 -3.985 225 H GLN 36 H GLN 36 1.343 -0.714 -2.571 226 HA GLN 36 HA GLN 36 0.850 -0.099 0.205 227 1HB GLN 36 1HB GLN 36 2.721 -1.542 0.685 228 2HB GLN 36 2HB GLN 36 1.714 -2.356 -0.525 229 1HG GLN 36 1HG GLN 36 3.497 -0.837 -2.050 230 2HG GLN 36 2HG GLN 36 4.499 -1.411 -0.710 231 1HE2 GLN 36 1HE2 GLN 36 4.379 -2.074 -3.610 232 2HE2 GLN 36 2HE2 GLN 36 4.213 -3.795 -3.709 233 H CYS 37 H CYS 37 1.269 2.033 0.696 234 HA CYS 37 HA CYS 37 3.705 3.176 -0.447 235 1HB CYS 37 1HB CYS 37 1.358 4.239 -0.721 236 2HB CYS 37 2HB CYS 37 1.575 4.768 0.951 237 H ALA 38 H ALA 38 5.192 4.287 1.020 238 HA ALA 38 HA ALA 38 4.770 4.467 3.773 239 1HB ALA 38 1HB ALA 38 6.513 2.627 4.356 240 2HB ALA 38 2HB ALA 38 4.840 2.126 4.013 241 3HB ALA 38 3HB ALA 38 6.097 1.940 2.767 242 H TRP 39 H TRP 39 6.931 4.994 4.911 243 HA TRP 39 HA TRP 39 8.305 6.855 3.285 244 1HB TRP 39 1HB TRP 39 9.757 7.075 5.326 245 2HB TRP 39 2HB TRP 39 8.040 7.422 5.537 246 HD1 TRP 39 HD TRP 39 6.617 5.570 7.005 247 HE1 TRP 39 1HE TRP 39 7.289 3.804 8.847 248 HE3 TRP 39 3HE TRP 39 11.588 5.562 5.933 249 HZ2 TRP 39 2HZ TRP 39 9.769 2.629 9.632 250 HZ3 TRP 39 3HZ TRP 39 13.065 4.075 7.284 251 HH2 TRP 39 HH TRP 39 12.230 2.643 9.079 252 H VAL 40 H VAL 40 9.610 6.129 1.641 253 HA VAL 40 HA VAL 40 11.104 3.673 2.047 254 HB VAL 40 HB VAL 40 9.751 4.631 -0.064 255 1HG1 VAL 40 1HG1 VAL 40 11.267 6.556 -0.359 256 2HG1 VAL 40 2HG1 VAL 40 12.630 5.436 -0.595 257 3HG1 VAL 40 3HG1 VAL 40 11.292 5.469 -1.767 258 1HG2 VAL 40 1HG2 VAL 40 11.140 3.050 -1.464 259 2HG2 VAL 40 2HG2 VAL 40 12.212 2.862 -0.056 260 3HG2 VAL 40 3HG2 VAL 40 10.505 2.368 0.054 261 H ASP 41 H ASP 41 11.632 7.190 1.392 262 HA ASP 41 HA ASP 41 14.456 6.787 1.718 263 1HB ASP 41 1HB ASP 41 12.840 8.607 0.322 264 2HB ASP 41 2HB ASP 41 13.511 9.575 1.644 265 HD2 ASP 41 HD2 ASP 41 15.723 9.558 -1.298 266 H THR 42 H THR 42 15.072 9.344 2.965 267 HA THR 42 HA THR 42 14.771 8.670 5.685 268 HB THR 42 HB THR 42 15.737 11.125 4.144 269 HG1 THR 42 1HG THR 42 16.873 8.978 5.796 270 1HG2 THR 42 1HG2 THR 42 15.074 10.931 6.977 271 2HG2 THR 42 2HG2 THR 42 16.842 11.011 6.783 272 3HG2 THR 42 3HG2 THR 42 15.814 12.297 6.105 273 H GLY 43 H GLY 43 12.473 8.319 5.928 274 1HA GLY 43 1HA GLY 43 10.493 8.986 6.769 275 2HA GLY 43 2HA GLY 43 11.174 10.580 7.026 276 H VAL 44 H VAL 44 11.456 9.338 3.767 277 HA VAL 44 HA VAL 44 9.485 11.304 2.915 278 HB VAL 44 HB VAL 44 11.544 9.708 1.377 279 1HG1 VAL 44 1HG1 VAL 44 9.845 10.275 -0.165 280 2HG1 VAL 44 2HG1 VAL 44 9.621 11.890 0.549 281 3HG1 VAL 44 3HG1 VAL 44 11.100 11.520 -0.369 282 1HG2 VAL 44 1HG2 VAL 44 13.009 11.494 1.530 283 2HG2 VAL 44 2HG2 VAL 44 11.714 12.666 1.875 284 3HG2 VAL 44 3HG2 VAL 44 12.246 11.531 3.138 285 H LEU 45 H LEU 45 7.418 10.607 2.739 286 HA LEU 45 HA LEU 45 6.744 7.891 2.628 287 1HB LEU 45 1HB LEU 45 5.437 10.459 2.731 288 2HB LEU 45 2HB LEU 45 4.579 9.354 1.645 289 HG LEU 45 HG LEU 45 5.322 8.730 4.516 290 1HD1 LEU 45 1HD1 LEU 45 2.770 9.843 3.339 291 2HD1 LEU 45 2HD1 LEU 45 2.839 9.025 4.919 292 3HD1 LEU 45 3HD1 LEU 45 3.775 10.516 4.645 293 1HD2 LEU 45 1HD2 LEU 45 3.452 7.305 2.602 294 2HD2 LEU 45 2HD2 LEU 45 5.076 6.755 3.082 295 3HD2 LEU 45 3HD2 LEU 45 3.777 6.859 4.296 296 H ALA 46 H ALA 46 7.529 6.647 0.977 297 HA ALA 46 HA ALA 46 7.018 7.659 -1.737 298 1HB ALA 46 1HB ALA 46 8.885 5.532 -1.814 299 2HB ALA 46 2HB ALA 46 9.202 7.261 -2.085 300 3HB ALA 46 3HB ALA 46 9.379 6.567 -0.454 301 H CYS 47 H CYS 47 5.942 6.304 -3.203 302 HA CYS 47 HA CYS 47 4.650 4.026 -1.921 303 1HB CYS 47 1HB CYS 47 3.896 5.439 -4.480 304 2HB CYS 47 2HB CYS 47 2.964 4.192 -3.647 305 H ASN 48 H ASN 48 4.452 1.998 -3.225 306 HA ASN 48 HA ASN 48 6.922 1.467 -4.519 307 1HB ASN 48 1HB ASN 48 4.459 -0.122 -3.767 308 2HB ASN 48 2HB ASN 48 5.616 -0.836 -4.901 309 1HD2 ASN 48 1HD2 ASN 48 6.502 1.443 -2.400 310 2HD2 ASN 48 2HD2 ASN 48 7.377 0.355 -1.374 311 HA PRO 49 HA PRO 49 5.423 1.695 -8.636 312 1HB PRO 49 1HB PRO 49 6.654 -0.378 -9.922 313 2HB PRO 49 2HB PRO 49 7.463 1.144 -9.551 314 1HG PRO 49 1HG PRO 49 7.678 -1.490 -8.237 315 2HG PRO 49 2HG PRO 49 8.829 -0.108 -8.175 316 1HD PRO 49 1HD PRO 49 6.986 -0.980 -6.164 317 2HD PRO 49 2HD PRO 49 7.982 0.478 -6.119 318 H ALA 50 H ALA 50 4.707 -1.066 -6.824 319 HA ALA 50 HA ALA 50 2.697 -1.841 -8.815 320 1HB ALA 50 1HB ALA 50 2.704 -4.001 -7.752 321 2HB ALA 50 2HB ALA 50 4.404 -3.530 -8.000 322 3HB ALA 50 3HB ALA 50 3.668 -3.389 -6.385 323 H ASP 51 H ASP 51 2.848 0.432 -6.617 324 HA ASP 51 HA ASP 51 0.681 -0.396 -4.933 325 1HB ASP 51 1HB ASP 51 1.767 1.061 -3.595 326 2HB ASP 51 2HB ASP 51 2.728 1.682 -4.948 327 HD2 ASP 51 HD2 ASP 51 -0.134 3.878 -3.468 328 H PHE 52 H PHE 52 0.686 0.216 -8.068 329 HA PHE 52 HA PHE 52 -1.417 2.254 -8.040 330 1HB PHE 52 1HB PHE 52 0.005 0.994 -10.435 331 2HB PHE 52 2HB PHE 52 -0.763 2.584 -10.363 332 HD1 PHE 52 1HD PHE 52 0.414 3.795 -8.006 333 HD2 PHE 52 2HD PHE 52 2.226 1.315 -10.934 334 HE1 PHE 52 1HE PHE 52 2.644 4.830 -7.501 335 HE2 PHE 52 2HE PHE 52 4.457 2.349 -10.429 336 HZ PHE 52 HZ PHE 52 4.640 4.093 -8.720 337 H SER 53 H SER 53 -3.220 0.978 -7.423 338 HA SER 53 HA SER 53 -4.097 -0.763 -9.554 339 1HB SER 53 1HB SER 53 -3.051 -2.286 -7.942 340 2HB SER 53 2HB SER 53 -4.019 -1.605 -6.621 341 HG SER 53 HG SER 53 -5.654 -2.403 -8.678 342 H SER 54 H SER 54 -5.512 1.101 -9.977 343 HA SER 54 HA SER 54 -7.021 2.465 -8.287 344 1HB SER 54 1HB SER 54 -6.999 2.750 -10.745 345 2HB SER 54 2HB SER 54 -7.993 1.294 -10.931 346 HG SER 54 HG SER 54 -9.608 2.451 -9.550 347 H VAL 55 H VAL 55 -9.036 2.248 -7.179 348 HA VAL 55 HA VAL 55 -10.555 -0.160 -7.437 349 HB VAL 55 HB VAL 55 -8.516 0.136 -5.333 350 1HG1 VAL 55 1HG1 VAL 55 -9.817 -0.874 -3.557 351 2HG1 VAL 55 2HG1 VAL 55 -10.598 0.644 -4.064 352 3HG1 VAL 55 3HG1 VAL 55 -11.265 -0.920 -4.595 353 1HG2 VAL 55 1HG2 VAL 55 -9.464 -1.834 -7.155 354 2HG2 VAL 55 2HG2 VAL 55 -8.081 -1.931 -6.037 355 3HG2 VAL 55 3HG2 VAL 55 -9.694 -2.472 -5.507 356 H THR 56 H THR 56 -12.510 -0.071 -5.978 357 HA THR 56 HA THR 56 -13.044 2.650 -5.021 358 HB THR 56 HB THR 56 -13.914 1.853 -7.483 359 HG1 THR 56 1HG THR 56 -15.491 3.538 -7.035 360 1HG2 THR 56 1HG2 THR 56 -16.278 1.195 -7.307 361 2HG2 THR 56 2HG2 THR 56 -15.290 -0.037 -6.485 362 3HG2 THR 56 3HG2 THR 56 -16.175 1.179 -5.531 363 H ALA 57 H ALA 57 -14.665 2.811 -3.382 364 HA ALA 57 HA ALA 57 -14.987 0.252 -1.982 365 1HB ALA 57 1HB ALA 57 -13.698 2.083 -0.855 366 2HB ALA 57 2HB ALA 57 -15.158 3.097 -0.915 367 3HB ALA 57 3HB ALA 57 -15.158 1.596 0.039 368 H ASP 58 H ASP 58 -17.026 -0.513 -1.463 369 HA ASP 58 HA ASP 58 -19.142 0.542 -2.972 370 1HB ASP 58 1HB ASP 58 -19.653 -1.267 -0.627 371 2HB ASP 58 2HB ASP 58 -20.327 -1.345 -2.264 372 HD2 ASP 58 HD2 ASP 58 -16.891 -2.743 -2.968 373 H ALA 59 H ALA 59 -21.212 1.417 -2.066 374 HA ALA 59 HA ALA 59 -21.029 3.524 -0.446 375 1HB ALA 59 1HB ALA 59 -23.473 1.876 -0.027 376 2HB ALA 59 2HB ALA 59 -23.309 3.560 -0.576 377 3HB ALA 59 3HB ALA 59 -23.045 2.221 -1.720 378 H ASN 60 H ASN 60 -21.088 0.103 0.542 379 HA ASN 60 HA ASN 60 -21.381 0.835 3.296 380 1HB ASN 60 1HB ASN 60 -22.225 -1.338 2.058 381 2HB ASN 60 2HB ASN 60 -20.572 -1.922 2.298 382 1HD2 ASN 60 1HD2 ASN 60 -21.880 -3.549 3.508 383 2HD2 ASN 60 2HD2 ASN 60 -22.179 -3.275 5.190 384 H GLY 61 H GLY 61 -19.084 2.005 1.969 385 1HA GLY 61 1HA GLY 61 -16.817 2.094 1.966 386 2HA GLY 61 2HA GLY 61 -17.032 1.742 3.671 387 H SER 62 H SER 62 -17.881 -0.530 1.021 388 HA SER 62 HA SER 62 -16.043 -2.403 2.202 389 1HB SER 62 1HB SER 62 -18.472 -2.518 0.513 390 2HB SER 62 2HB SER 62 -17.247 -3.731 0.098 391 HG SER 62 HG SER 62 -17.956 -4.836 1.778 392 H ALA 63 H ALA 63 -13.936 -1.993 1.517 393 HA ALA 63 HA ALA 63 -13.552 -1.568 -1.361 394 1HB ALA 63 1HB ALA 63 -12.017 -0.037 -0.762 395 2HB ALA 63 2HB ALA 63 -12.563 -0.238 0.919 396 3HB ALA 63 3HB ALA 63 -11.196 -1.202 0.306 397 H SER 64 H SER 64 -13.945 -3.890 -1.768 398 HA SER 64 HA SER 64 -12.001 -5.661 -0.608 399 1HB SER 64 1HB SER 64 -13.243 -7.378 -2.037 400 2HB SER 64 2HB SER 64 -14.198 -6.588 -0.771 401 HG SER 64 HG SER 64 -14.740 -6.729 -3.386 402 H THR 65 H THR 65 -10.040 -4.782 -1.569 403 HA THR 65 HA THR 65 -9.882 -5.109 -4.488 404 HB THR 65 HB THR 65 -9.406 -2.830 -3.604 405 HG1 THR 65 1HG THR 65 -6.991 -4.371 -4.242 406 1HG2 THR 65 1HG2 THR 65 -8.057 -2.437 -1.792 407 2HG2 THR 65 2HG2 THR 65 -8.199 -4.178 -1.441 408 3HG2 THR 65 3HG2 THR 65 -6.822 -3.570 -2.392 409 H SER 66 H SER 66 -7.840 -5.988 -5.372 410 HA SER 66 HA SER 66 -6.592 -7.809 -3.481 411 1HB SER 66 1HB SER 66 -6.912 -9.694 -4.806 412 2HB SER 66 2HB SER 66 -8.442 -8.835 -5.059 413 HG SER 66 HG SER 66 -7.742 -8.155 -7.089 414 H LEU 67 H LEU 67 -4.362 -7.754 -3.621 415 HA LEU 67 HA LEU 67 -3.100 -7.175 -6.135 416 1HB LEU 67 1HB LEU 67 -3.761 -5.030 -4.488 417 2HB LEU 67 2HB LEU 67 -2.039 -5.318 -4.187 418 HG LEU 67 HG LEU 67 -2.499 -3.628 -5.945 419 1HD1 LEU 67 1HD1 LEU 67 -0.767 -4.296 -7.380 420 2HD1 LEU 67 2HD1 LEU 67 -0.427 -5.125 -5.843 421 3HD1 LEU 67 3HD1 LEU 67 -1.155 -6.023 -7.196 422 1HD2 LEU 67 1HD2 LEU 67 -3.527 -5.932 -7.617 423 2HD2 LEU 67 2HD2 LEU 67 -4.568 -4.729 -6.816 424 3HD2 LEU 67 3HD2 LEU 67 -3.418 -4.214 -8.073 425 H THR 68 H THR 68 -0.570 -7.066 -5.681 426 HA THR 68 HA THR 68 -0.047 -9.213 -3.738 427 HB THR 68 HB THR 68 1.452 -8.366 -6.274 428 HG1 THR 68 1HG THR 68 -0.667 -9.366 -6.610 429 1HG2 THR 68 1HG2 THR 68 2.793 -10.304 -5.986 430 2HG2 THR 68 2HG2 THR 68 2.683 -9.679 -4.322 431 3HG2 THR 68 3HG2 THR 68 1.649 -11.035 -4.835 432 H VAL 69 H VAL 69 1.661 -9.078 -2.277 433 HA VAL 69 HA VAL 69 2.452 -6.331 -1.739 434 HB VAL 69 HB VAL 69 2.949 -8.806 -0.088 435 1HG1 VAL 69 1HG1 VAL 69 4.271 -6.858 0.552 436 2HG1 VAL 69 2HG1 VAL 69 2.802 -5.855 0.620 437 3HG1 VAL 69 3HG1 VAL 69 3.028 -7.186 1.781 438 1HG2 VAL 69 1HG2 VAL 69 0.888 -8.121 1.185 439 2HG2 VAL 69 2HG2 VAL 69 0.505 -7.013 -0.154 440 3HG2 VAL 69 3HG2 VAL 69 0.580 -8.766 -0.444 441 H ARG 70 H ARG 70 3.918 -6.111 -3.567 442 HA ARG 70 HA ARG 70 6.170 -7.889 -3.543 443 1HB ARG 70 1HB ARG 70 5.411 -5.534 -5.327 444 2HB ARG 70 2HB ARG 70 6.877 -6.502 -5.564 445 1HG ARG 70 1HG ARG 70 4.377 -8.075 -5.289 446 2HG ARG 70 2HG ARG 70 4.424 -7.031 -6.722 447 1HD ARG 70 1HD ARG 70 6.907 -8.092 -6.884 448 2HD ARG 70 2HD ARG 70 6.114 -9.416 -6.016 449 HE ARG 70 HE ARG 70 4.383 -8.748 -8.121 450 1HH1 ARG 70 1HH1 ARG 70 7.716 -9.839 -7.830 451 2HH1 ARG 70 2HH1 ARG 70 7.715 -10.655 -9.360 452 1HH2 ARG 70 1HH2 ARG 70 4.382 -9.822 -10.138 453 2HH2 ARG 70 2HH2 ARG 70 5.808 -10.645 -10.680 454 H ARG 71 H ARG 71 6.600 -6.954 -1.216 455 HA ARG 71 HA ARG 71 7.246 -4.479 -0.598 456 1HB ARG 71 1HB ARG 71 7.626 -6.892 0.586 457 2HB ARG 71 2HB ARG 71 9.314 -6.499 0.221 458 1HG ARG 71 1HG ARG 71 8.908 -4.244 1.331 459 2HG ARG 71 2HG ARG 71 7.336 -4.862 1.867 460 1HD ARG 71 1HD ARG 71 10.083 -6.001 2.542 461 2HD ARG 71 2HD ARG 71 9.000 -5.154 3.658 462 HE ARG 71 HE ARG 71 7.737 -7.472 2.424 463 1HH1 ARG 71 1HH1 ARG 71 9.898 -6.467 5.013 464 2HH1 ARG 71 2HH1 ARG 71 9.564 -7.849 6.003 465 1HH2 ARG 71 1HH2 ARG 71 7.295 -9.294 3.728 466 2HH2 ARG 71 2HH2 ARG 71 8.073 -9.469 5.267 467 H SER 72 H SER 72 9.106 -6.671 -2.710 468 HA SER 72 HA SER 72 11.316 -4.837 -2.791 469 1HB SER 72 1HB SER 72 12.525 -6.572 -3.632 470 2HB SER 72 2HB SER 72 11.189 -7.553 -2.997 471 HG SER 72 HG SER 72 11.791 -6.783 -5.688 472 H PHE 73 H PHE 73 11.646 -3.310 -4.400 473 HA PHE 73 HA PHE 73 11.064 -3.429 -7.002 474 1HB PHE 73 1HB PHE 73 8.653 -3.179 -5.313 475 2HB PHE 73 2HB PHE 73 8.782 -1.809 -6.419 476 HD1 PHE 73 1HD PHE 73 6.811 -4.306 -6.220 477 HD2 PHE 73 2HD PHE 73 10.058 -3.256 -8.738 478 HE1 PHE 73 1HE PHE 73 5.841 -5.718 -8.057 479 HE2 PHE 73 2HE PHE 73 9.093 -4.667 -10.574 480 HZ PHE 73 HZ PHE 73 6.995 -5.881 -10.212 481 H GLU 74 H GLU 74 10.611 -1.094 -7.999 482 HA GLU 74 HA GLU 74 12.434 0.606 -6.607 483 1HB GLU 74 1HB GLU 74 12.598 0.325 -9.038 484 2HB GLU 74 2HB GLU 74 10.959 0.963 -9.253 485 1HG GLU 74 1HG GLU 74 12.150 2.900 -9.624 486 2HG GLU 74 2HG GLU 74 12.010 3.023 -7.864 487 HE2 GLU 74 HE2 GLU 74 15.432 1.439 -8.028 488 H GLY 75 H GLY 75 11.750 1.953 -5.003 489 1HA GLY 75 1HA GLY 75 8.967 2.683 -4.790 490 2HA GLY 75 2HA GLY 75 10.271 3.085 -3.691 491 H PHE 76 H PHE 76 8.311 4.991 -4.451 492 HA PHE 76 HA PHE 76 10.033 6.879 -5.865 493 1HB PHE 76 1HB PHE 76 7.392 5.731 -6.613 494 2HB PHE 76 2HB PHE 76 7.367 7.497 -6.586 495 HD1 PHE 76 1HD PHE 76 7.768 8.512 -8.605 496 HD2 PHE 76 2HD PHE 76 9.633 4.784 -7.813 497 HE1 PHE 76 1HE PHE 76 8.808 8.547 -10.889 498 HE2 PHE 76 2HE PHE 76 10.673 4.818 -10.098 499 HZ PHE 76 HZ PHE 76 10.249 6.701 -11.608 500 H LEU 77 H LEU 77 10.088 8.890 -4.915 501 HA LEU 77 HA LEU 77 8.778 9.188 -2.417 502 1HB LEU 77 1HB LEU 77 10.337 11.166 -4.070 503 2HB LEU 77 2HB LEU 77 9.890 11.355 -2.366 504 HG LEU 77 HG LEU 77 11.974 10.599 -2.008 505 1HD1 LEU 77 1HD1 LEU 77 10.956 7.868 -2.794 506 2HD1 LEU 77 2HD1 LEU 77 12.102 8.305 -1.503 507 3HD1 LEU 77 3HD1 LEU 77 10.379 8.724 -1.344 508 1HD2 LEU 77 1HD2 LEU 77 11.817 9.753 -4.846 509 2HD2 LEU 77 2HD2 LEU 77 13.069 10.679 -3.984 510 3HD2 LEU 77 3HD2 LEU 77 13.002 8.906 -3.824 511 H PHE 78 H PHE 78 7.318 10.996 -1.836 512 HA PHE 78 HA PHE 78 5.290 11.245 -3.876 513 1HB PHE 78 1HB PHE 78 3.947 11.956 -1.985 514 2HB PHE 78 2HB PHE 78 5.010 10.701 -1.337 515 HD1 PHE 78 1HD PHE 78 6.931 11.340 0.081 516 HD2 PHE 78 2HD PHE 78 4.111 14.215 -1.260 517 HE1 PHE 78 1HE PHE 78 7.742 12.951 1.827 518 HE2 PHE 78 2HE PHE 78 4.924 15.826 0.488 519 HZ PHE 78 HZ PHE 78 6.729 15.174 2.010 520 H ASP 79 H ASP 79 7.981 13.066 -2.640 521 HA ASP 79 HA ASP 79 6.994 15.623 -2.860 522 1HB ASP 79 1HB ASP 79 9.452 14.384 -2.326 523 2HB ASP 79 2HB ASP 79 9.782 15.342 -3.778 524 HD2 ASP 79 HD2 ASP 79 8.724 18.220 -1.711 525 H GLY 80 H GLY 80 8.673 13.443 -5.232 526 1HA GLY 80 1HA GLY 80 7.315 14.045 -7.484 527 2HA GLY 80 2HA GLY 80 8.464 15.366 -7.381 528 H THR 81 H THR 81 10.449 13.549 -5.889 529 HA THR 81 HA THR 81 11.590 12.392 -8.307 530 HB THR 81 HB THR 81 13.031 13.853 -6.981 531 HG1 THR 81 1HG THR 81 14.551 12.264 -7.230 532 1HG2 THR 81 1HG2 THR 81 12.420 13.964 -4.740 533 2HG2 THR 81 2HG2 THR 81 11.871 12.270 -4.705 534 3HG2 THR 81 3HG2 THR 81 13.608 12.646 -4.598 535 H ARG 82 H ARG 82 12.830 10.247 -7.970 536 HA ARG 82 HA ARG 82 10.963 8.487 -6.594 537 1HB ARG 82 1HB ARG 82 11.747 6.729 -8.222 538 2HB ARG 82 2HB ARG 82 10.948 8.097 -9.015 539 1HG ARG 82 1HG ARG 82 13.069 9.038 -9.683 540 2HG ARG 82 2HG ARG 82 13.972 7.890 -8.678 541 1HD ARG 82 1HD ARG 82 13.600 6.112 -10.154 542 2HD ARG 82 2HD ARG 82 12.123 6.828 -10.822 543 HE ARG 82 HE ARG 82 14.883 7.335 -11.677 544 1HH1 ARG 82 1HH1 ARG 82 11.594 8.590 -11.643 545 2HH1 ARG 82 2HH1 ARG 82 11.835 9.611 -13.021 546 1HH2 ARG 82 1HH2 ARG 82 15.200 8.683 -13.494 547 2HH2 ARG 82 2HH2 ARG 82 13.898 9.666 -14.081 548 H TRP 83 H TRP 83 11.905 6.565 -5.504 549 HA TRP 83 HA TRP 83 14.655 7.103 -4.641 550 1HB TRP 83 1HB TRP 83 12.891 7.143 -2.924 551 2HB TRP 83 2HB TRP 83 12.496 5.464 -3.300 552 HD1 TRP 83 HD TRP 83 13.665 3.800 -1.670 553 HE1 TRP 83 1HE TRP 83 15.816 3.695 -0.147 554 HE3 TRP 83 3HE TRP 83 15.485 8.354 -3.017 555 HZ2 TRP 83 2HZ TRP 83 17.989 5.486 0.315 556 HZ3 TRP 83 3HZ TRP 83 17.627 9.101 -1.983 557 HH2 TRP 83 HH TRP 83 18.869 7.746 -0.369 558 H GLY 84 H GLY 84 12.759 4.054 -4.458 559 1HA GLY 84 1HA GLY 84 13.100 2.441 -6.341 560 2HA GLY 84 2HA GLY 84 14.809 2.789 -6.177 561 H THR 85 H THR 85 15.929 2.210 -4.143 562 HA THR 85 HA THR 85 16.392 0.853 -2.441 563 HB THR 85 HB THR 85 13.353 1.004 -2.202 564 HG1 THR 85 1HG THR 85 15.474 2.533 -1.621 565 1HG2 THR 85 1HG2 THR 85 14.321 0.226 0.286 566 2HG2 THR 85 2HG2 THR 85 13.477 -0.858 -0.846 567 3HG2 THR 85 3HG2 THR 85 15.257 -0.818 -0.813 568 H VAL 86 H VAL 86 13.461 -0.574 -4.047 569 HA VAL 86 HA VAL 86 13.341 -2.441 -5.281 570 HB VAL 86 HB VAL 86 16.138 -3.231 -4.507 571 1HG1 VAL 86 1HG1 VAL 86 14.143 -4.336 -6.177 572 2HG1 VAL 86 2HG1 VAL 86 15.392 -3.675 -7.259 573 3HG1 VAL 86 3HG1 VAL 86 15.837 -4.857 -6.003 574 1HG2 VAL 86 1HG2 VAL 86 16.315 -1.941 -6.987 575 2HG2 VAL 86 2HG2 VAL 86 15.350 -0.845 -5.971 576 3HG2 VAL 86 3HG2 VAL 86 16.962 -1.370 -5.430 577 H ASP 87 H ASP 87 14.388 -2.163 -1.983 578 HA ASP 87 HA ASP 87 12.944 -4.616 -1.434 579 1HB ASP 87 1HB ASP 87 15.630 -4.647 -1.309 580 2HB ASP 87 2HB ASP 87 15.326 -3.932 0.282 581 HD2 ASP 87 HD2 ASP 87 13.434 -7.132 0.791 582 H CYS 88 H CYS 88 11.153 -3.601 -0.444 583 HA CYS 88 HA CYS 88 11.660 -1.397 1.364 584 1HB CYS 88 1HB CYS 88 9.891 -1.054 -0.181 585 2HB CYS 88 2HB CYS 88 9.129 -2.593 0.234 586 H THR 89 H THR 89 12.828 -3.768 2.277 587 HA THR 89 HA THR 89 10.923 -5.007 4.103 588 HB THR 89 HB THR 89 12.517 -6.389 2.739 589 HG1 THR 89 1HG THR 89 13.435 -7.399 4.791 590 1HG2 THR 89 1HG2 THR 89 14.919 -6.389 3.387 591 2HG2 THR 89 2HG2 THR 89 14.470 -4.801 2.721 592 3HG2 THR 89 3HG2 THR 89 14.633 -5.015 4.480 593 H THR 90 H THR 90 13.028 -2.315 4.022 594 HA THR 90 HA THR 90 13.651 -2.475 6.858 595 HB THR 90 HB THR 90 14.329 -0.553 4.578 596 HG1 THR 90 1HG THR 90 16.217 -1.773 4.707 597 1HG2 THR 90 1HG2 THR 90 16.118 0.069 6.514 598 2HG2 THR 90 2HG2 THR 90 14.586 0.959 6.345 599 3HG2 THR 90 3HG2 THR 90 14.736 -0.334 7.560 600 H ALA 91 H ALA 91 11.833 -0.276 4.621 601 HA ALA 91 HA ALA 91 10.568 0.897 6.968 602 1HB ALA 91 1HB ALA 91 11.544 1.987 4.656 603 2HB ALA 91 2HB ALA 91 9.825 1.797 4.239 604 3HB ALA 91 3HB ALA 91 10.292 2.747 5.671 605 H ALA 92 H ALA 92 8.805 -0.136 7.760 606 HA ALA 92 HA ALA 92 7.441 -2.161 6.564 607 1HB ALA 92 1HB ALA 92 6.089 -2.033 8.410 608 2HB ALA 92 2HB ALA 92 7.362 -0.916 8.964 609 3HB ALA 92 3HB ALA 92 5.861 -0.273 8.253 610 H CYS 93 H CYS 93 6.454 -2.227 4.611 611 HA CYS 93 HA CYS 93 5.479 0.194 3.444 612 1HB CYS 93 1HB CYS 93 4.843 -2.424 2.217 613 2HB CYS 93 2HB CYS 93 5.418 -0.927 1.476 614 H GLN 94 H GLN 94 3.380 0.942 3.580 615 HA GLN 94 HA GLN 94 1.513 -0.792 4.954 616 1HB GLN 94 1HB GLN 94 1.513 2.191 4.373 617 2HB GLN 94 2HB GLN 94 0.157 1.358 5.153 618 1HG GLN 94 1HG GLN 94 1.290 1.104 7.128 619 2HG GLN 94 2HG GLN 94 2.849 0.833 6.334 620 1HE2 GLN 94 1HE2 GLN 94 1.718 2.644 8.538 621 2HE2 GLN 94 2HE2 GLN 94 2.331 4.222 8.172 622 H VAL 95 H VAL 95 0.051 -1.945 3.776 623 HA VAL 95 HA VAL 95 -0.365 -1.204 1.011 624 HB VAL 95 HB VAL 95 -1.589 -3.514 2.507 625 1HG1 VAL 95 1HG1 VAL 95 -1.987 -4.460 0.447 626 2HG1 VAL 95 2HG1 VAL 95 -2.141 -2.736 0.038 627 3HG1 VAL 95 3HG1 VAL 95 -0.634 -3.606 -0.332 628 1HG2 VAL 95 1HG2 VAL 95 1.234 -3.212 1.475 629 2HG2 VAL 95 2HG2 VAL 95 0.678 -3.802 3.059 630 3HG2 VAL 95 3HG2 VAL 95 0.452 -4.805 1.606 631 H GLY 96 H GLY 96 -2.003 0.085 0.357 632 1HA GLY 96 1HA GLY 96 -4.639 -0.154 1.333 633 2HA GLY 96 2HA GLY 96 -3.859 1.207 2.112 634 H LEU 97 H LEU 97 -5.910 2.008 0.656 635 HA LEU 97 HA LEU 97 -4.846 2.704 -1.986 636 1HB LEU 97 1HB LEU 97 -7.496 3.446 -1.923 637 2HB LEU 97 2HB LEU 97 -6.813 2.001 -2.688 638 HG LEU 97 HG LEU 97 -7.923 2.153 0.129 639 1HD1 LEU 97 1HD1 LEU 97 -9.135 1.176 -2.461 640 2HD1 LEU 97 2HD1 LEU 97 -9.736 0.681 -0.860 641 3HD1 LEU 97 3HD1 LEU 97 -9.765 2.397 -1.329 642 1HD2 LEU 97 1HD2 LEU 97 -6.915 0.220 0.516 643 2HD2 LEU 97 2HD2 LEU 97 -7.783 -0.510 -0.857 644 3HD2 LEU 97 3HD2 LEU 97 -6.192 0.250 -1.110 645 H SER 98 H SER 98 -4.319 4.791 -2.452 646 HA SER 98 HA SER 98 -4.806 6.680 -0.299 647 1HB SER 98 1HB SER 98 -2.987 8.000 -1.305 648 2HB SER 98 2HB SER 98 -2.449 6.347 -0.967 649 HG SER 98 HG SER 98 -3.076 5.953 -3.321 650 H ASP 99 H ASP 99 -5.097 9.072 -1.141 651 HA ASP 99 HA ASP 99 -7.268 8.945 -3.013 652 1HB ASP 99 1HB ASP 99 -6.372 11.590 -2.003 653 2HB ASP 99 2HB ASP 99 -7.996 10.888 -2.017 654 HD2 ASP 99 HD2 ASP 99 -7.733 10.478 1.356 655 H ALA 100 H ALA 100 -7.359 10.590 -4.849 656 HA ALA 100 HA ALA 100 -4.732 10.821 -6.068 657 1HB ALA 100 1HB ALA 100 -6.763 11.831 -7.766 658 2HB ALA 100 2HB ALA 100 -5.951 10.251 -7.867 659 3HB ALA 100 3HB ALA 100 -7.463 10.417 -6.942 660 H ALA 101 H ALA 101 -6.335 12.565 -3.822 661 HA ALA 101 HA ALA 101 -5.835 15.150 -5.104 662 1HB ALA 101 1HB ALA 101 -7.958 14.183 -3.581 663 2HB ALA 101 2HB ALA 101 -7.023 15.158 -2.420 664 3HB ALA 101 3HB ALA 101 -7.614 15.895 -3.930 665 H GLY 102 H GLY 102 -4.840 12.945 -2.487 666 1HA GLY 102 1HA GLY 102 -2.601 12.994 -1.723 667 2HA GLY 102 2HA GLY 102 -2.553 14.728 -1.974 668 H ASN 103 H ASN 103 -4.915 12.530 -0.294 669 HA ASN 103 HA ASN 103 -4.600 14.282 2.015 670 1HB ASN 103 1HB ASN 103 -6.955 12.434 1.423 671 2HB ASN 103 2HB ASN 103 -6.900 13.735 2.621 672 1HD2 ASN 103 1HD2 ASN 103 -8.619 13.136 0.233 673 2HD2 ASN 103 2HD2 ASN 103 -8.618 14.579 -0.727 674 H GLY 104 H GLY 104 -4.691 13.155 4.173 675 1HA GLY 104 1HA GLY 104 -3.014 11.165 4.646 676 2HA GLY 104 2HA GLY 104 -4.482 11.371 5.581 677 HA PRO 105 HA PRO 105 -5.043 7.901 2.357 678 1HB PRO 105 1HB PRO 105 -2.766 6.604 1.595 679 2HB PRO 105 2HB PRO 105 -3.534 7.853 0.618 680 1HG PRO 105 1HG PRO 105 -1.123 7.988 2.311 681 2HG PRO 105 2HG PRO 105 -1.616 9.084 0.972 682 1HD PRO 105 1HD PRO 105 -1.738 9.554 3.794 683 2HD PRO 105 2HD PRO 105 -2.384 10.599 2.521 684 H GLU 106 H GLU 106 -5.699 5.842 2.902 685 HA GLU 106 HA GLU 106 -4.715 5.131 5.515 686 1HB GLU 106 1HB GLU 106 -7.194 4.815 4.026 687 2HB GLU 106 2HB GLU 106 -6.677 3.261 4.703 688 1HG GLU 106 1HG GLU 106 -7.236 3.910 6.791 689 2HG GLU 106 2HG GLU 106 -6.328 5.423 6.643 690 HE2 GLU 106 HE2 GLU 106 -9.383 6.752 5.041 691 H GLY 107 H GLY 107 -3.368 3.404 5.933 692 1HA GLY 107 1HA GLY 107 -3.132 1.241 4.016 693 2HA GLY 107 2HA GLY 107 -1.719 2.271 4.147 694 H VAL 108 H VAL 108 -2.274 -0.629 4.977 695 HA VAL 108 HA VAL 108 -1.743 -0.350 7.849 696 HB VAL 108 HB VAL 108 -3.685 -1.739 6.918 697 1HG1 VAL 108 1HG1 VAL 108 -3.135 -4.030 6.221 698 2HG1 VAL 108 2HG1 VAL 108 -2.458 -2.831 5.094 699 3HG1 VAL 108 3HG1 VAL 108 -1.399 -3.636 6.276 700 1HG2 VAL 108 1HG2 VAL 108 -1.687 -3.106 8.751 701 2HG2 VAL 108 2HG2 VAL 108 -2.843 -1.848 9.246 702 3HG2 VAL 108 3HG2 VAL 108 -3.436 -3.421 8.659 703 H ALA 109 H ALA 109 0.342 -0.484 8.478 704 HA ALA 109 HA ALA 109 2.399 -1.061 6.681 705 1HB ALA 109 1HB ALA 109 3.796 -0.576 8.475 706 2HB ALA 109 2HB ALA 109 2.294 0.228 8.990 707 3HB ALA 109 3HB ALA 109 2.728 -1.364 9.659 708 H ILE 110 H ILE 110 1.886 -3.075 5.643 709 HA ILE 110 HA ILE 110 2.058 -5.400 7.418 710 HB ILE 110 HB ILE 110 0.272 -4.734 5.371 711 1HG1 ILE 110 1HG1 ILE 110 -0.196 -7.369 5.829 712 2HG1 ILE 110 2HG1 ILE 110 0.770 -6.956 7.255 713 1HG2 ILE 110 1HG2 ILE 110 0.578 -6.725 3.845 714 2HG2 ILE 110 2HG2 ILE 110 1.730 -5.388 3.623 715 3HG2 ILE 110 3HG2 ILE 110 2.232 -6.859 4.490 716 1HD1 ILE 110 1HD1 ILE 110 -0.772 -5.021 7.681 717 2HD1 ILE 110 2HD1 ILE 110 -1.756 -5.537 6.291 718 3HD1 ILE 110 3HD1 ILE 110 -1.614 -6.589 7.720 719 H SER 111 H SER 111 3.338 -7.280 6.585 720 HA SER 111 HA SER 111 4.933 -7.530 4.585 721 1HB SER 111 1HB SER 111 5.938 -5.210 6.170 722 2HB SER 111 2HB SER 111 7.167 -6.359 5.613 723 HG SER 111 HG SER 111 6.170 -4.380 4.217 724 H PHE 112 H PHE 112 5.407 -6.980 8.144 725 HA PHE 112 HA PHE 112 5.680 -9.736 8.640 726 1HB PHE 112 1HB PHE 112 7.921 -8.982 7.531 727 2HB PHE 112 2HB PHE 112 8.187 -7.991 8.969 728 HD1 PHE 112 1HD PHE 112 7.548 -11.504 7.910 729 HD2 PHE 112 2HD PHE 112 9.255 -8.923 10.815 730 HE1 PHE 112 1HE PHE 112 8.582 -13.481 9.060 731 HE2 PHE 112 2HE PHE 112 10.287 -10.901 11.965 732 HZ PHE 112 HZ PHE 112 9.940 -13.155 11.074 733 H ASN 113 H ASN 113 6.803 -9.935 11.039 734 HA ASN 113 HA ASN 113 5.147 -8.229 12.606 735 1HB ASN 113 1HB ASN 113 6.647 -10.752 12.939 736 2HB ASN 113 2HB ASN 113 6.762 -9.716 14.370 737 1HD2 ASN 113 1HD2 ASN 113 5.201 -9.830 15.790 738 2HD2 ASN 113 2HD2 ASN 113 3.603 -10.451 15.546 739 6H NCZ 130 6H NCZ 130 -0.071 13.254 -0.745 740 6H1 NCZ 130 6H1 NCZ 130 -1.264 10.607 -1.002 741 5H1 NCZ 130 5H1 NCZ 130 -2.301 12.104 0.914 742 4H1 NCZ 130 4H1 NCZ 130 -0.315 12.134 2.824 743 5H NCZ 130 5H NCZ 130 2.753 11.894 0.894 744 3H1 NCZ 130 3H1 NCZ 130 1.306 10.483 2.058 745 2H1 NCZ 130 2H1 NCZ 130 1.158 10.913 -0.768 746 2H NCZ 130 2H NCZ 130 -0.395 7.781 -3.703 747 8H NCZ 130 8H NCZ 130 -1.157 4.679 -3.370 748 7H NCZ 130 7H NCZ 130 -1.754 3.516 -1.273 749 3H NCZ 130 3H NCZ 130 -0.893 4.291 3.285 750 1H17 NCZ 130 1H17 NCZ 130 1.127 7.890 5.049 751 2H17 NCZ 130 2H17 NCZ 130 1.705 8.106 3.380 752 3H17 NCZ 130 3H17 NCZ 130 0.014 8.475 3.792 753 1H18 NCZ 130 1H18 NCZ 130 -1.695 2.500 0.244 754 2H18 NCZ 130 2H18 NCZ 130 -1.518 2.429 2.014 755 3H18 NCZ 130 3H18 NCZ 130 -2.906 3.278 1.291 756 1H NCZ 130 1H NCZ 130 0.941 7.581 1.335 Start of MODEL 6 1 H ALA 1 H ALA 1 -12.799 -8.911 13.731 2 HA ALA 1 HA ALA 1 -12.404 -6.771 13.271 3 1HB ALA 1 1HB ALA 1 -9.638 -6.729 12.712 4 2HB ALA 1 2HB ALA 1 -10.419 -6.533 14.300 5 3HB ALA 1 3HB ALA 1 -9.886 -8.146 13.761 6 H ALA 2 H ALA 2 -11.327 -5.151 11.608 7 HA ALA 2 HA ALA 2 -10.523 -5.895 9.114 8 1HB ALA 2 1HB ALA 2 -13.268 -5.266 8.450 9 2HB ALA 2 2HB ALA 2 -12.299 -6.687 7.990 10 3HB ALA 2 3HB ALA 2 -13.217 -6.694 9.514 11 HA PRO 3 HA PRO 3 -10.910 -1.492 10.209 12 1HB PRO 3 1HB PRO 3 -8.253 -0.931 10.516 13 2HB PRO 3 2HB PRO 3 -9.317 -1.322 11.865 14 1HG PRO 3 1HG PRO 3 -7.295 -2.984 10.504 15 2HG PRO 3 2HG PRO 3 -8.010 -3.202 12.141 16 1HD PRO 3 1HD PRO 3 -8.574 -4.660 9.743 17 2HD PRO 3 2HD PRO 3 -9.419 -4.806 11.288 18 H THR 4 H THR 4 -11.636 -0.614 8.364 19 HA THR 4 HA THR 4 -11.595 -0.027 6.203 20 HB THR 4 HB THR 4 -10.053 1.724 5.888 21 HG1 THR 4 1HG THR 4 -7.881 1.216 6.064 22 1HG2 THR 4 1HG2 THR 4 -10.842 1.467 8.498 23 2HG2 THR 4 2HG2 THR 4 -9.080 1.315 8.697 24 3HG2 THR 4 3HG2 THR 4 -9.768 2.772 7.943 25 H ALA 5 H ALA 5 -9.017 0.141 4.581 26 HA ALA 5 HA ALA 5 -9.277 -2.494 3.488 27 1HB ALA 5 1HB ALA 5 -8.955 -1.091 1.733 28 2HB ALA 5 2HB ALA 5 -8.140 0.132 2.736 29 3HB ALA 5 3HB ALA 5 -7.228 -1.270 2.126 30 H THR 6 H THR 6 -8.087 -4.248 4.039 31 HA THR 6 HA THR 6 -5.364 -3.818 4.998 32 HB THR 6 HB THR 6 -6.090 -5.625 6.832 33 HG1 THR 6 1HG THR 6 -8.474 -4.124 6.007 34 1HG2 THR 6 1HG2 THR 6 -7.322 -3.382 7.983 35 2HG2 THR 6 2HG2 THR 6 -5.585 -3.759 8.070 36 3HG2 THR 6 3HG2 THR 6 -6.196 -2.668 6.803 37 H VAL 7 H VAL 7 -3.938 -5.486 4.536 38 HA VAL 7 HA VAL 7 -4.900 -7.266 2.484 39 HB VAL 7 HB VAL 7 -2.122 -7.330 3.578 40 1HG1 VAL 7 1HG1 VAL 7 -2.694 -7.071 0.679 41 2HG1 VAL 7 2HG1 VAL 7 -1.568 -8.146 1.538 42 3HG1 VAL 7 3HG1 VAL 7 -3.299 -8.549 1.464 43 1HG2 VAL 7 1HG2 VAL 7 -3.411 -4.970 2.231 44 2HG2 VAL 7 2HG2 VAL 7 -2.252 -5.014 3.581 45 3HG2 VAL 7 3HG2 VAL 7 -1.700 -5.346 1.922 46 H THR 8 H THR 8 -5.120 -9.497 2.630 47 HA THR 8 HA THR 8 -5.952 -10.676 4.889 48 HB THR 8 HB THR 8 -4.834 -11.517 2.277 49 HG1 THR 8 1HG THR 8 -6.783 -12.867 2.594 50 1HG2 THR 8 1HG2 THR 8 -3.415 -13.014 3.621 51 2HG2 THR 8 2HG2 THR 8 -4.780 -13.400 4.693 52 3HG2 THR 8 3HG2 THR 8 -4.793 -13.953 3.001 53 HA PRO 9 HA PRO 9 -1.576 -11.848 6.153 54 1HB PRO 9 1HB PRO 9 0.567 -10.756 4.860 55 2HB PRO 9 2HB PRO 9 -0.084 -12.348 4.471 56 1HG PRO 9 1HG PRO 9 -0.370 -9.780 3.047 57 2HG PRO 9 2HG PRO 9 -0.615 -11.447 2.413 58 1HD PRO 9 1HD PRO 9 -2.596 -9.504 3.122 59 2HD PRO 9 2HD PRO 9 -2.886 -11.186 2.658 60 H SER 10 H SER 10 0.580 -10.656 7.099 61 HA SER 10 HA SER 10 -0.108 -7.924 7.609 62 1HB SER 10 1HB SER 10 -0.304 -10.095 9.695 63 2HB SER 10 2HB SER 10 0.199 -8.465 10.184 64 HG SER 10 HG SER 10 -1.911 -8.025 8.682 65 H SER 11 H SER 11 1.960 -10.806 8.229 66 HA SER 11 HA SER 11 4.249 -9.080 7.934 67 1HB SER 11 1HB SER 11 5.356 -9.811 9.920 68 2HB SER 11 2HB SER 11 3.731 -9.309 10.422 69 HG SER 11 HG SER 11 4.057 -11.271 11.423 70 H GLY 12 H GLY 12 6.347 -10.620 7.929 71 1HA GLY 12 1HA GLY 12 7.443 -12.300 6.921 72 2HA GLY 12 2HA GLY 12 6.106 -13.343 7.364 73 H LEU 13 H LEU 13 5.569 -10.450 5.366 74 HA LEU 13 HA LEU 13 4.142 -11.682 3.424 75 1HB LEU 13 1HB LEU 13 4.669 -9.756 2.017 76 2HB LEU 13 2HB LEU 13 4.196 -9.310 3.665 77 HG LEU 13 HG LEU 13 6.409 -8.685 4.231 78 1HD1 LEU 13 1HD1 LEU 13 7.785 -10.383 3.417 79 2HD1 LEU 13 2HD1 LEU 13 7.222 -10.175 1.742 80 3HD1 LEU 13 3HD1 LEU 13 8.280 -8.952 2.483 81 1HD2 LEU 13 1HD2 LEU 13 6.827 -6.867 2.787 82 2HD2 LEU 13 2HD2 LEU 13 6.128 -7.713 1.384 83 3HD2 LEU 13 3HD2 LEU 13 5.072 -7.157 2.704 84 H SER 14 H SER 14 4.870 -11.765 0.964 85 HA SER 14 HA SER 14 7.489 -13.026 0.871 86 1HB SER 14 1HB SER 14 5.145 -14.475 0.825 87 2HB SER 14 2HB SER 14 5.447 -14.241 -0.905 88 HG SER 14 HG SER 14 7.641 -15.090 -0.492 89 H ASP 15 H ASP 15 8.529 -12.915 -1.257 90 HA ASP 15 HA ASP 15 8.486 -10.612 -2.498 91 1HB ASP 15 1HB ASP 15 9.201 -11.851 -4.608 92 2HB ASP 15 2HB ASP 15 10.098 -12.276 -3.142 93 HD2 ASP 15 HD2 ASP 15 8.638 -15.492 -3.108 94 H GLY 16 H GLY 16 6.401 -9.627 -2.812 95 1HA GLY 16 1HA GLY 16 4.535 -9.101 -3.952 96 2HA GLY 16 2HA GLY 16 5.058 -10.185 -5.225 97 H THR 17 H THR 17 3.800 -10.387 -1.814 98 HA THR 17 HA THR 17 2.571 -12.927 -2.360 99 HB THR 17 HB THR 17 2.666 -10.990 0.001 100 HG1 THR 17 1HG THR 17 4.406 -12.619 -0.957 101 1HG2 THR 17 1HG2 THR 17 1.726 -12.949 1.311 102 2HG2 THR 17 2HG2 THR 17 0.534 -12.218 0.211 103 3HG2 THR 17 3HG2 THR 17 1.337 -13.741 -0.234 104 H VAL 18 H VAL 18 0.848 -13.082 -3.656 105 HA VAL 18 HA VAL 18 -0.933 -10.872 -3.964 106 HB VAL 18 HB VAL 18 -1.515 -13.654 -4.902 107 1HG1 VAL 18 1HG1 VAL 18 -2.861 -11.400 -5.307 108 2HG1 VAL 18 2HG1 VAL 18 -1.660 -11.194 -6.604 109 3HG1 VAL 18 3HG1 VAL 18 -2.705 -12.633 -6.581 110 1HG2 VAL 18 1HG2 VAL 18 0.622 -13.800 -5.655 111 2HG2 VAL 18 2HG2 VAL 18 -0.003 -12.757 -6.954 112 3HG2 VAL 18 3HG2 VAL 18 0.885 -12.041 -5.588 113 H VAL 19 H VAL 19 -2.588 -10.356 -2.637 114 HA VAL 19 HA VAL 19 -4.050 -12.525 -1.373 115 HB VAL 19 HB VAL 19 -3.887 -10.783 0.706 116 1HG1 VAL 19 1HG1 VAL 19 -1.845 -12.534 1.287 117 2HG1 VAL 19 2HG1 VAL 19 -3.582 -12.877 1.470 118 3HG1 VAL 19 3HG1 VAL 19 -2.723 -13.392 -0.002 119 1HG2 VAL 19 1HG2 VAL 19 -1.069 -10.910 -0.405 120 2HG2 VAL 19 2HG2 VAL 19 -2.126 -9.486 -0.548 121 3HG2 VAL 19 3HG2 VAL 19 -1.631 -10.066 1.059 122 H LYS 20 H LYS 20 -5.897 -11.228 0.072 123 HA LYS 20 HA LYS 20 -7.025 -9.345 -1.877 124 1HB LYS 20 1HB LYS 20 -9.177 -10.089 -1.242 125 2HB LYS 20 2HB LYS 20 -8.201 -11.542 -1.511 126 1HG LYS 20 1HG LYS 20 -7.850 -11.777 0.908 127 2HG LYS 20 2HG LYS 20 -8.734 -10.272 1.216 128 1HD LYS 20 1HD LYS 20 -10.760 -11.319 0.166 129 2HD LYS 20 2HD LYS 20 -9.862 -12.839 0.002 130 1HE LYS 20 1HE LYS 20 -9.445 -12.290 2.649 131 2HE LYS 20 2HE LYS 20 -11.040 -11.555 2.431 132 1HZ LYS 20 1HZ LYS 20 -11.899 -13.567 2.410 133 2HZ LYS 20 2HZ LYS 20 -10.955 -14.042 1.166 134 3HZ LYS 20 3HZ LYS 20 -10.434 -14.223 2.704 135 H VAL 21 H VAL 21 -7.720 -7.318 -1.218 136 HA VAL 21 HA VAL 21 -7.079 -6.676 1.576 137 HB VAL 21 HB VAL 21 -7.190 -4.685 -0.669 138 1HG1 VAL 21 1HG1 VAL 21 -5.287 -4.602 1.648 139 2HG1 VAL 21 2HG1 VAL 21 -6.059 -3.271 0.755 140 3HG1 VAL 21 3HG1 VAL 21 -7.002 -4.219 1.927 141 1HG2 VAL 21 1HG2 VAL 21 -5.656 -6.187 -1.613 142 2HG2 VAL 21 2HG2 VAL 21 -4.631 -5.015 -0.752 143 3HG2 VAL 21 3HG2 VAL 21 -4.952 -6.611 -0.033 144 H ALA 22 H ALA 22 -9.020 -6.896 2.642 145 HA ALA 22 HA ALA 22 -11.424 -5.922 1.346 146 1HB ALA 22 1HB ALA 22 -10.966 -8.078 2.894 147 2HB ALA 22 2HB ALA 22 -11.398 -6.915 4.169 148 3HB ALA 22 3HB ALA 22 -12.542 -7.253 2.849 149 H GLY 23 H GLY 23 -12.427 -3.999 1.804 150 1HA GLY 23 1HA GLY 23 -11.138 -2.322 3.867 151 2HA GLY 23 2HA GLY 23 -11.881 -1.729 2.395 152 H ALA 24 H ALA 24 -12.356 -2.388 5.724 153 HA ALA 24 HA ALA 24 -15.264 -2.496 5.416 154 1HB ALA 24 1HB ALA 24 -14.268 -2.632 8.143 155 2HB ALA 24 2HB ALA 24 -15.198 -3.837 7.220 156 3HB ALA 24 3HB ALA 24 -13.423 -3.807 7.107 157 H GLY 25 H GLY 25 -16.182 -0.509 5.237 158 1HA GLY 25 1HA GLY 25 -16.830 1.554 5.894 159 2HA GLY 25 2HA GLY 25 -15.847 1.398 7.337 160 H LEU 26 H LEU 26 -14.686 1.042 3.944 161 HA LEU 26 HA LEU 26 -12.686 3.049 4.479 162 1HB LEU 26 1HB LEU 26 -12.543 0.741 3.223 163 2HB LEU 26 2HB LEU 26 -13.014 1.729 1.827 164 HG LEU 26 HG LEU 26 -10.523 1.884 3.519 165 1HD1 LEU 26 1HD1 LEU 26 -11.038 1.536 0.556 166 2HD1 LEU 26 2HD1 LEU 26 -9.429 1.776 1.279 167 3HD1 LEU 26 3HD1 LEU 26 -10.387 0.334 1.697 168 1HD2 LEU 26 1HD2 LEU 26 -11.780 4.164 2.945 169 2HD2 LEU 26 2HD2 LEU 26 -10.007 4.009 2.900 170 3HD2 LEU 26 3HD2 LEU 26 -10.948 3.922 1.392 171 H GLN 27 H GLN 27 -13.249 3.223 1.210 172 HA GLN 27 HA GLN 27 -13.814 5.809 1.096 173 1HB GLN 27 1HB GLN 27 -14.786 3.600 -0.751 174 2HB GLN 27 2HB GLN 27 -14.881 5.319 -1.168 175 1HG GLN 27 1HG GLN 27 -12.337 3.792 -0.467 176 2HG GLN 27 2HG GLN 27 -12.840 4.229 -2.106 177 1HE2 GLN 27 1HE2 GLN 27 -12.808 6.372 -2.762 178 2HE2 GLN 27 2HE2 GLN 27 -11.905 7.598 -1.940 179 H ALA 28 H ALA 28 -16.005 3.271 2.111 180 HA ALA 28 HA ALA 28 -18.058 3.329 2.941 181 1HB ALA 28 1HB ALA 28 -17.175 6.157 3.138 182 2HB ALA 28 2HB ALA 28 -18.938 5.908 3.188 183 3HB ALA 28 3HB ALA 28 -17.891 5.091 4.372 184 H GLY 29 H GLY 29 -17.207 3.929 -0.104 185 1HA GLY 29 1HA GLY 29 -19.163 3.198 -1.574 186 2HA GLY 29 2HA GLY 29 -19.894 4.698 -1.041 187 H THR 30 H THR 30 -16.787 5.617 -0.926 188 HA THR 30 HA THR 30 -16.911 6.846 -3.532 189 HB THR 30 HB THR 30 -14.502 7.163 -1.797 190 HG1 THR 30 1HG THR 30 -15.925 8.291 -0.213 191 1HG2 THR 30 1HG2 THR 30 -15.955 8.718 -3.679 192 2HG2 THR 30 2HG2 THR 30 -16.297 9.464 -2.098 193 3HG2 THR 30 3HG2 THR 30 -14.614 9.282 -2.652 194 H ALA 31 H ALA 31 -14.234 7.049 -4.258 195 HA ALA 31 HA ALA 31 -13.310 4.307 -4.561 196 1HB ALA 31 1HB ALA 31 -14.051 6.147 -6.869 197 2HB ALA 31 2HB ALA 31 -13.125 4.636 -7.036 198 3HB ALA 31 3HB ALA 31 -14.807 4.590 -6.459 199 H TYR 32 H TYR 32 -11.053 4.172 -4.914 200 HA TYR 32 HA TYR 32 -9.601 6.650 -5.310 201 1HB TYR 32 1HB TYR 32 -9.797 4.941 -2.806 202 2HB TYR 32 2HB TYR 32 -8.218 5.638 -3.183 203 HD1 TYR 32 1HD TYR 32 -10.005 8.096 -4.510 204 HD2 TYR 32 2HD TYR 32 -9.521 6.297 -0.657 205 HE1 TYR 32 1HE TYR 32 -10.719 10.267 -3.399 206 HE2 TYR 32 2HE TYR 32 -10.236 8.475 0.440 207 HH TYR 32 HH TYR 32 -11.882 10.690 -0.856 208 H ASP 33 H ASP 33 -7.038 5.724 -4.642 209 HA ASP 33 HA ASP 33 -6.818 3.502 -6.513 210 1HB ASP 33 1HB ASP 33 -5.431 6.060 -6.234 211 2HB ASP 33 2HB ASP 33 -4.278 4.717 -6.208 212 HD2 ASP 33 HD2 ASP 33 -6.409 4.690 -9.536 213 H VAL 34 H VAL 34 -5.863 1.611 -5.692 214 HA VAL 34 HA VAL 34 -4.960 1.701 -2.936 215 HB VAL 34 HB VAL 34 -6.191 -0.209 -4.738 216 1HG1 VAL 34 1HG1 VAL 34 -5.044 -2.220 -4.053 217 2HG1 VAL 34 2HG1 VAL 34 -3.858 -1.111 -4.786 218 3HG1 VAL 34 3HG1 VAL 34 -3.936 -1.290 -3.017 219 1HG2 VAL 34 1HG2 VAL 34 -6.050 0.422 -1.847 220 2HG2 VAL 34 2HG2 VAL 34 -7.447 -0.001 -2.866 221 3HG2 VAL 34 3HG2 VAL 34 -6.377 -1.281 -2.245 222 H GLY 35 H GLY 35 -2.888 0.848 -2.263 223 1HA GLY 35 1HA GLY 35 -0.887 -0.120 -3.878 224 2HA GLY 35 2HA GLY 35 -0.764 1.622 -4.011 225 H GLN 36 H GLN 36 1.146 -0.264 -2.748 226 HA GLN 36 HA GLN 36 0.822 0.335 0.056 227 1HB GLN 36 1HB GLN 36 3.226 -1.107 -1.008 228 2HB GLN 36 2HB GLN 36 2.305 -1.404 0.477 229 1HG GLN 36 1HG GLN 36 1.070 -2.976 -0.564 230 2HG GLN 36 2HG GLN 36 0.595 -1.834 -1.832 231 1HE2 GLN 36 1HE2 GLN 36 2.890 -1.227 -3.070 232 2HE2 GLN 36 2HE2 GLN 36 3.615 -2.611 -3.815 233 H CYS 37 H CYS 37 1.438 2.396 0.606 234 HA CYS 37 HA CYS 37 3.867 3.412 -0.667 235 1HB CYS 37 1HB CYS 37 1.540 4.617 -0.721 236 2HB CYS 37 2HB CYS 37 1.996 5.143 0.901 237 H ALA 38 H ALA 38 5.462 4.478 0.760 238 HA ALA 38 HA ALA 38 5.222 4.582 3.525 239 1HB ALA 38 1HB ALA 38 6.955 2.607 3.876 240 2HB ALA 38 2HB ALA 38 5.207 2.279 3.821 241 3HB ALA 38 3HB ALA 38 6.213 1.978 2.384 242 H TRP 39 H TRP 39 7.384 5.096 4.551 243 HA TRP 39 HA TRP 39 8.788 6.879 2.919 244 1HB TRP 39 1HB TRP 39 10.406 6.892 4.854 245 2HB TRP 39 2HB TRP 39 8.736 7.348 5.202 246 HD1 TRP 39 HD TRP 39 7.254 5.425 6.581 247 HE1 TRP 39 1HE TRP 39 7.930 3.563 8.325 248 HE3 TRP 39 3HE TRP 39 12.199 5.367 5.398 249 HZ2 TRP 39 2HZ TRP 39 10.399 2.302 8.997 250 HZ3 TRP 39 3HZ TRP 39 13.673 3.790 6.646 251 HH2 TRP 39 HH TRP 39 12.846 2.292 8.392 252 H VAL 40 H VAL 40 10.177 6.370 1.283 253 HA VAL 40 HA VAL 40 11.520 3.772 1.432 254 HB VAL 40 HB VAL 40 10.010 4.868 -0.542 255 1HG1 VAL 40 1HG1 VAL 40 11.395 5.656 -2.340 256 2HG1 VAL 40 2HG1 VAL 40 11.761 6.636 -0.899 257 3HG1 VAL 40 3HG1 VAL 40 12.879 5.347 -1.407 258 1HG2 VAL 40 1HG2 VAL 40 11.998 3.211 -1.790 259 2HG2 VAL 40 2HG2 VAL 40 11.665 2.592 -0.155 260 3HG2 VAL 40 3HG2 VAL 40 10.332 2.801 -1.316 261 H ASP 41 H ASP 41 12.012 7.308 0.984 262 HA ASP 41 HA ASP 41 14.831 6.943 0.781 263 1HB ASP 41 1HB ASP 41 13.175 8.855 -0.129 264 2HB ASP 41 2HB ASP 41 13.584 9.612 1.417 265 HD2 ASP 41 HD2 ASP 41 16.899 10.151 0.366 266 H THR 42 H THR 42 15.415 9.436 2.402 267 HA THR 42 HA THR 42 15.534 8.146 4.996 268 HB THR 42 HB THR 42 17.479 9.336 3.778 269 HG1 THR 42 1HG THR 42 16.594 10.453 6.339 270 1HG2 THR 42 1HG2 THR 42 16.493 11.884 5.014 271 2HG2 THR 42 2HG2 THR 42 17.509 11.648 3.572 272 3HG2 THR 42 3HG2 THR 42 15.745 11.443 3.460 273 H GLY 43 H GLY 43 12.929 8.426 4.629 274 1HA GLY 43 1HA GLY 43 11.418 9.214 6.299 275 2HA GLY 43 2HA GLY 43 12.273 10.744 6.336 276 H VAL 44 H VAL 44 12.186 9.712 3.108 277 HA VAL 44 HA VAL 44 10.028 11.581 2.564 278 HB VAL 44 HB VAL 44 11.846 10.173 0.610 279 1HG1 VAL 44 1HG1 VAL 44 9.688 11.470 -0.066 280 2HG1 VAL 44 2HG1 VAL 44 10.653 12.921 0.299 281 3HG1 VAL 44 3HG1 VAL 44 11.202 11.778 -0.949 282 1HG2 VAL 44 1HG2 VAL 44 13.415 11.975 0.765 283 2HG2 VAL 44 2HG2 VAL 44 12.361 12.881 1.877 284 3HG2 VAL 44 3HG2 VAL 44 13.137 11.369 2.416 285 H LEU 45 H LEU 45 7.984 10.829 2.408 286 HA LEU 45 HA LEU 45 7.402 8.096 2.284 287 1HB LEU 45 1HB LEU 45 6.071 10.468 2.799 288 2HB LEU 45 2HB LEU 45 5.262 9.824 1.358 289 HG LEU 45 HG LEU 45 5.741 8.024 3.708 290 1HD1 LEU 45 1HD1 LEU 45 3.680 8.732 4.778 291 2HD1 LEU 45 2HD1 LEU 45 4.828 10.088 4.687 292 3HD1 LEU 45 3HD1 LEU 45 3.455 10.007 3.557 293 1HD2 LEU 45 1HD2 LEU 45 3.646 7.001 2.939 294 2HD2 LEU 45 2HD2 LEU 45 3.522 8.227 1.655 295 3HD2 LEU 45 3HD2 LEU 45 4.870 7.065 1.647 296 H ALA 46 H ALA 46 7.920 6.797 0.601 297 HA ALA 46 HA ALA 46 7.380 7.873 -2.083 298 1HB ALA 46 1HB ALA 46 9.524 7.414 -2.571 299 2HB ALA 46 2HB ALA 46 9.787 6.803 -0.921 300 3HB ALA 46 3HB ALA 46 9.224 5.699 -2.198 301 H CYS 47 H CYS 47 6.206 6.563 -3.507 302 HA CYS 47 HA CYS 47 4.928 4.295 -2.200 303 1HB CYS 47 1HB CYS 47 4.155 5.809 -4.697 304 2HB CYS 47 2HB CYS 47 3.245 4.475 -3.980 305 H ASN 48 H ASN 48 4.593 2.296 -3.573 306 HA ASN 48 HA ASN 48 7.035 1.755 -4.968 307 1HB ASN 48 1HB ASN 48 4.744 -0.208 -4.755 308 2HB ASN 48 2HB ASN 48 6.484 -0.533 -4.690 309 1HD2 ASN 48 1HD2 ASN 48 7.005 1.687 -2.877 310 2HD2 ASN 48 2HD2 ASN 48 6.466 1.211 -1.301 311 HA PRO 49 HA PRO 49 5.190 1.708 -8.953 312 1HB PRO 49 1HB PRO 49 6.157 -0.531 -10.185 313 2HB PRO 49 2HB PRO 49 7.096 0.951 -10.001 314 1HG PRO 49 1HG PRO 49 7.260 -1.596 -8.520 315 2HG PRO 49 2HG PRO 49 8.499 -0.299 -8.663 316 1HD PRO 49 1HD PRO 49 6.800 -0.900 -6.439 317 2HD PRO 49 2HD PRO 49 7.891 0.485 -6.590 318 H ALA 50 H ALA 50 4.408 -0.773 -6.835 319 HA ALA 50 HA ALA 50 2.220 -1.605 -8.604 320 1HB ALA 50 1HB ALA 50 3.017 -3.005 -6.052 321 2HB ALA 50 2HB ALA 50 2.250 -3.673 -7.512 322 3HB ALA 50 3HB ALA 50 3.977 -3.235 -7.532 323 H ASP 51 H ASP 51 2.629 0.903 -6.772 324 HA ASP 51 HA ASP 51 0.596 0.436 -4.808 325 1HB ASP 51 1HB ASP 51 2.296 1.868 -4.033 326 2HB ASP 51 2HB ASP 51 2.406 2.741 -5.568 327 HD2 ASP 51 HD2 ASP 51 -0.106 3.983 -2.791 328 H PHE 52 H PHE 52 0.512 0.793 -8.067 329 HA PHE 52 HA PHE 52 -1.698 2.719 -8.060 330 1HB PHE 52 1HB PHE 52 -0.292 1.529 -10.487 331 2HB PHE 52 2HB PHE 52 -1.059 3.114 -10.352 332 HD1 PHE 52 1HD PHE 52 0.197 4.275 -8.011 333 HD2 PHE 52 2HD PHE 52 1.913 1.864 -11.053 334 HE1 PHE 52 1HE PHE 52 2.443 5.302 -7.560 335 HE2 PHE 52 2HE PHE 52 4.157 2.892 -10.603 336 HZ PHE 52 HZ PHE 52 4.395 4.600 -8.861 337 H SER 53 H SER 53 -3.438 1.380 -7.445 338 HA SER 53 HA SER 53 -4.254 -0.411 -9.533 339 1HB SER 53 1HB SER 53 -3.200 -2.072 -8.260 340 2HB SER 53 2HB SER 53 -3.615 -1.308 -6.716 341 HG SER 53 HG SER 53 -5.113 -2.882 -6.763 342 H SER 54 H SER 54 -5.911 1.199 -9.877 343 HA SER 54 HA SER 54 -7.385 2.559 -8.230 344 1HB SER 54 1HB SER 54 -9.315 2.283 -9.766 345 2HB SER 54 2HB SER 54 -7.795 2.495 -10.651 346 HG SER 54 HG SER 54 -8.072 0.570 -11.540 347 H VAL 55 H VAL 55 -9.351 2.311 -6.946 348 HA VAL 55 HA VAL 55 -10.324 -0.359 -6.482 349 HB VAL 55 HB VAL 55 -8.355 -0.299 -5.056 350 1HG1 VAL 55 1HG1 VAL 55 -9.401 2.378 -4.367 351 2HG1 VAL 55 2HG1 VAL 55 -8.807 1.423 -2.987 352 3HG1 VAL 55 3HG1 VAL 55 -7.733 1.758 -4.366 353 1HG2 VAL 55 1HG2 VAL 55 -10.728 -1.236 -4.354 354 2HG2 VAL 55 2HG2 VAL 55 -9.365 -1.230 -3.208 355 3HG2 VAL 55 3HG2 VAL 55 -10.614 0.035 -3.114 356 H THR 56 H THR 56 -12.284 -0.312 -5.062 357 HA THR 56 HA THR 56 -13.396 2.298 -4.520 358 HB THR 56 HB THR 56 -14.273 0.525 -6.822 359 HG1 THR 56 1HG THR 56 -14.185 2.624 -7.770 360 1HG2 THR 56 1HG2 THR 56 -16.417 1.806 -6.877 361 2HG2 THR 56 2HG2 THR 56 -16.323 0.802 -5.411 362 3HG2 THR 56 3HG2 THR 56 -16.010 2.551 -5.312 363 H ALA 57 H ALA 57 -14.868 2.269 -2.870 364 HA ALA 57 HA ALA 57 -15.343 -0.399 -1.743 365 1HB ALA 57 1HB ALA 57 -14.148 1.750 -0.590 366 2HB ALA 57 2HB ALA 57 -15.843 2.070 -0.147 367 3HB ALA 57 3HB ALA 57 -15.073 0.536 0.326 368 H ASP 58 H ASP 58 -17.405 -1.186 -1.603 369 HA ASP 58 HA ASP 58 -19.405 -0.004 -3.054 370 1HB ASP 58 1HB ASP 58 -20.043 -1.776 -0.696 371 2HB ASP 58 2HB ASP 58 -20.765 -1.788 -2.313 372 HD2 ASP 58 HD2 ASP 58 -18.640 -4.685 -2.032 373 H ALA 59 H ALA 59 -21.585 0.802 -2.175 374 HA ALA 59 HA ALA 59 -21.451 3.014 -0.701 375 1HB ALA 59 1HB ALA 59 -23.517 1.078 -1.445 376 2HB ALA 59 2HB ALA 59 -23.898 1.908 0.081 377 3HB ALA 59 3HB ALA 59 -23.590 2.854 -1.394 378 H ASN 60 H ASN 60 -21.408 -0.336 0.522 379 HA ASN 60 HA ASN 60 -21.653 0.585 3.223 380 1HB ASN 60 1HB ASN 60 -22.465 -1.693 2.134 381 2HB ASN 60 2HB ASN 60 -20.804 -2.224 2.436 382 1HD2 ASN 60 1HD2 ASN 60 -21.952 -3.785 3.796 383 2HD2 ASN 60 2HD2 ASN 60 -22.322 -3.376 5.437 384 H GLY 61 H GLY 61 -19.400 1.669 1.723 385 1HA GLY 61 1HA GLY 61 -17.136 1.792 1.666 386 2HA GLY 61 2HA GLY 61 -17.307 1.578 3.397 387 H SER 62 H SER 62 -18.085 -0.854 0.850 388 HA SER 62 HA SER 62 -16.165 -2.594 2.145 389 1HB SER 62 1HB SER 62 -18.327 -3.252 0.105 390 2HB SER 62 2HB SER 62 -17.356 -4.429 1.008 391 HG SER 62 HG SER 62 -18.743 -4.261 2.622 392 H ALA 63 H ALA 63 -14.159 -2.016 1.226 393 HA ALA 63 HA ALA 63 -14.038 -2.067 -1.704 394 1HB ALA 63 1HB ALA 63 -13.035 -0.076 -1.262 395 2HB ALA 63 2HB ALA 63 -12.713 -0.503 0.436 396 3HB ALA 63 3HB ALA 63 -11.626 -1.080 -0.849 397 H SER 64 H SER 64 -13.987 -4.352 -1.965 398 HA SER 64 HA SER 64 -11.837 -5.703 -0.574 399 1HB SER 64 1HB SER 64 -14.003 -6.845 -2.381 400 2HB SER 64 2HB SER 64 -12.899 -7.780 -1.359 401 HG SER 64 HG SER 64 -14.460 -7.612 0.098 402 H THR 65 H THR 65 -10.106 -4.636 -1.818 403 HA THR 65 HA THR 65 -9.986 -5.535 -4.620 404 HB THR 65 HB THR 65 -9.960 -3.000 -3.897 405 HG1 THR 65 1HG THR 65 -8.741 -2.798 -5.801 406 1HG2 THR 65 1HG2 THR 65 -7.529 -2.255 -3.590 407 2HG2 THR 65 2HG2 THR 65 -8.242 -3.034 -2.158 408 3HG2 THR 65 3HG2 THR 65 -7.133 -3.947 -3.211 409 H SER 66 H SER 66 -8.429 -6.905 -5.295 410 HA SER 66 HA SER 66 -6.690 -7.876 -3.200 411 1HB SER 66 1HB SER 66 -6.459 -9.857 -4.477 412 2HB SER 66 2HB SER 66 -8.158 -9.396 -4.681 413 HG SER 66 HG SER 66 -7.415 -8.314 -6.720 414 H LEU 67 H LEU 67 -4.390 -7.903 -3.400 415 HA LEU 67 HA LEU 67 -3.204 -6.889 -5.821 416 1HB LEU 67 1HB LEU 67 -3.973 -5.033 -3.971 417 2HB LEU 67 2HB LEU 67 -2.291 -5.342 -3.504 418 HG LEU 67 HG LEU 67 -2.754 -3.419 -5.115 419 1HD1 LEU 67 1HD1 LEU 67 -0.819 -5.124 -6.532 420 2HD1 LEU 67 2HD1 LEU 67 -0.609 -3.539 -5.751 421 3HD1 LEU 67 3HD1 LEU 67 -0.574 -5.025 -4.770 422 1HD2 LEU 67 1HD2 LEU 67 -3.209 -3.818 -7.380 423 2HD2 LEU 67 2HD2 LEU 67 -2.910 -5.566 -7.228 424 3HD2 LEU 67 3HD2 LEU 67 -4.365 -4.845 -6.499 425 H THR 68 H THR 68 -0.708 -6.847 -5.519 426 HA THR 68 HA THR 68 -0.031 -9.184 -3.867 427 HB THR 68 HB THR 68 0.211 -9.271 -6.416 428 HG1 THR 68 1HG THR 68 1.552 -10.390 -4.649 429 1HG2 THR 68 1HG2 THR 68 2.353 -8.182 -7.255 430 2HG2 THR 68 2HG2 THR 68 1.056 -7.013 -6.903 431 3HG2 THR 68 3HG2 THR 68 2.395 -7.231 -5.750 432 H VAL 69 H VAL 69 1.491 -9.096 -2.289 433 HA VAL 69 HA VAL 69 2.383 -6.430 -1.593 434 HB VAL 69 HB VAL 69 2.772 -9.057 -0.151 435 1HG1 VAL 69 1HG1 VAL 69 3.360 -6.208 0.470 436 2HG1 VAL 69 2HG1 VAL 69 2.665 -7.183 1.787 437 3HG1 VAL 69 3HG1 VAL 69 4.179 -7.693 1.003 438 1HG2 VAL 69 1HG2 VAL 69 0.473 -8.974 -0.175 439 2HG2 VAL 69 2HG2 VAL 69 0.808 -7.980 1.263 440 3HG2 VAL 69 3HG2 VAL 69 0.426 -7.197 -0.289 441 H ARG 70 H ARG 70 3.924 -5.968 -3.241 442 HA ARG 70 HA ARG 70 6.065 -7.839 -3.561 443 1HB ARG 70 1HB ARG 70 5.337 -5.171 -4.817 444 2HB ARG 70 2HB ARG 70 6.916 -5.912 -5.129 445 1HG ARG 70 1HG ARG 70 5.102 -8.007 -5.504 446 2HG ARG 70 2HG ARG 70 4.261 -6.609 -6.197 447 1HD ARG 70 1HD ARG 70 5.665 -6.546 -7.978 448 2HD ARG 70 2HD ARG 70 7.105 -6.683 -6.956 449 HE ARG 70 HE ARG 70 5.945 -9.230 -6.940 450 1HH1 ARG 70 1HH1 ARG 70 7.171 -7.037 -9.403 451 2HH1 ARG 70 2HH1 ARG 70 7.633 -8.307 -10.486 452 1HH2 ARG 70 1HH2 ARG 70 6.553 -10.906 -8.368 453 2HH2 ARG 70 2HH2 ARG 70 7.278 -10.523 -9.893 454 H ARG 71 H ARG 71 7.113 -7.800 -1.475 455 HA ARG 71 HA ARG 71 7.694 -5.567 -0.049 456 1HB ARG 71 1HB ARG 71 7.989 -7.870 0.791 457 2HB ARG 71 2HB ARG 71 9.347 -8.130 -0.319 458 1HG ARG 71 1HG ARG 71 9.956 -5.755 1.091 459 2HG ARG 71 2HG ARG 71 9.314 -6.866 2.315 460 1HD ARG 71 1HD ARG 71 11.565 -7.472 0.346 461 2HD ARG 71 2HD ARG 71 11.781 -7.102 2.063 462 HE ARG 71 HE ARG 71 10.911 -9.637 0.904 463 1HH1 ARG 71 1HH1 ARG 71 10.762 -7.616 3.780 464 2HH1 ARG 71 2HH1 ARG 71 10.451 -8.942 4.851 465 1HH2 ARG 71 1HH2 ARG 71 10.502 -11.386 2.315 466 2HH2 ARG 71 2HH2 ARG 71 10.304 -11.101 4.011 467 H SER 72 H SER 72 9.347 -6.977 -2.886 468 HA SER 72 HA SER 72 11.401 -4.935 -2.635 469 1HB SER 72 1HB SER 72 12.643 -6.277 -4.319 470 2HB SER 72 2HB SER 72 12.258 -7.219 -2.869 471 HG SER 72 HG SER 72 10.275 -7.374 -4.822 472 H PHE 73 H PHE 73 11.442 -3.216 -4.065 473 HA PHE 73 HA PHE 73 10.566 -3.368 -6.703 474 1HB PHE 73 1HB PHE 73 8.552 -1.707 -6.176 475 2HB PHE 73 2HB PHE 73 8.285 -3.442 -5.977 476 HD1 PHE 73 1HD PHE 73 6.419 -2.967 -4.457 477 HD2 PHE 73 2HD PHE 73 10.362 -1.680 -3.561 478 HE1 PHE 73 1HE PHE 73 5.748 -2.574 -2.071 479 HE2 PHE 73 2HE PHE 73 9.691 -1.287 -1.175 480 HZ PHE 73 HZ PHE 73 7.393 -1.740 -0.459 481 H GLU 74 H GLU 74 10.133 -0.941 -7.553 482 HA GLU 74 HA GLU 74 12.320 0.555 -6.404 483 1HB GLU 74 1HB GLU 74 12.207 0.060 -8.868 484 2HB GLU 74 2HB GLU 74 10.772 1.094 -8.974 485 1HG GLU 74 1HG GLU 74 12.306 2.724 -9.423 486 2HG GLU 74 2HG GLU 74 12.500 2.772 -7.665 487 HE2 GLU 74 HE2 GLU 74 15.741 1.683 -7.921 488 H GLY 75 H GLY 75 11.799 1.980 -4.799 489 1HA GLY 75 1HA GLY 75 9.148 2.960 -4.442 490 2HA GLY 75 2HA GLY 75 10.583 3.411 -3.547 491 H PHE 76 H PHE 76 8.446 5.193 -4.523 492 HA PHE 76 HA PHE 76 10.108 6.867 -6.267 493 1HB PHE 76 1HB PHE 76 7.327 5.804 -6.478 494 2HB PHE 76 2HB PHE 76 7.417 7.550 -6.732 495 HD1 PHE 76 1HD PHE 76 8.519 8.450 -8.686 496 HD2 PHE 76 2HD PHE 76 8.388 4.261 -8.023 497 HE1 PHE 76 1HE PHE 76 9.227 8.051 -11.062 498 HE2 PHE 76 2HE PHE 76 9.097 3.862 -10.397 499 HZ PHE 76 HZ PHE 76 9.508 5.763 -11.889 500 H LEU 77 H LEU 77 10.728 8.632 -5.118 501 HA LEU 77 HA LEU 77 9.652 9.385 -2.701 502 1HB LEU 77 1HB LEU 77 10.998 11.219 -4.667 503 2HB LEU 77 2HB LEU 77 10.962 11.359 -2.901 504 HG LEU 77 HG LEU 77 12.429 9.293 -4.559 505 1HD1 LEU 77 1HD1 LEU 77 13.179 11.860 -3.934 506 2HD1 LEU 77 2HD1 LEU 77 13.923 10.916 -2.623 507 3HD1 LEU 77 3HD1 LEU 77 14.285 10.518 -4.320 508 1HD2 LEU 77 1HD2 LEU 77 11.978 7.965 -2.779 509 2HD2 LEU 77 2HD2 LEU 77 13.367 8.841 -2.095 510 3HD2 LEU 77 3HD2 LEU 77 11.709 9.334 -1.674 511 H PHE 78 H PHE 78 8.365 11.291 -2.090 512 HA PHE 78 HA PHE 78 6.026 11.435 -3.697 513 1HB PHE 78 1HB PHE 78 5.189 12.467 -1.750 514 2HB PHE 78 2HB PHE 78 6.596 11.659 -1.051 515 HD1 PHE 78 1HD PHE 78 8.266 12.915 0.008 516 HD2 PHE 78 2HD PHE 78 5.433 14.896 -2.453 517 HE1 PHE 78 1HE PHE 78 9.126 15.136 0.803 518 HE2 PHE 78 2HE PHE 78 6.292 17.114 -1.657 519 HZ PHE 78 HZ PHE 78 8.130 17.209 -0.039 520 H ASP 79 H ASP 79 8.932 13.442 -3.202 521 HA ASP 79 HA ASP 79 8.019 15.846 -4.054 522 1HB ASP 79 1HB ASP 79 10.452 14.771 -3.420 523 2HB ASP 79 2HB ASP 79 10.662 14.992 -5.163 524 HD2 ASP 79 HD2 ASP 79 10.087 18.326 -3.056 525 H GLY 80 H GLY 80 9.389 13.086 -5.995 526 1HA GLY 80 1HA GLY 80 7.749 13.017 -8.100 527 2HA GLY 80 2HA GLY 80 8.742 14.403 -8.502 528 H THR 81 H THR 81 11.064 13.118 -6.879 529 HA THR 81 HA THR 81 12.141 11.670 -9.131 530 HB THR 81 HB THR 81 13.336 12.326 -6.388 531 HG1 THR 81 1HG THR 81 13.383 14.357 -7.267 532 1HG2 THR 81 1HG2 THR 81 14.418 11.371 -9.050 533 2HG2 THR 81 2HG2 THR 81 15.388 12.525 -8.104 534 3HG2 THR 81 3HG2 THR 81 14.950 10.946 -7.405 535 H ARG 82 H ARG 82 13.057 9.535 -9.037 536 HA ARG 82 HA ARG 82 11.448 7.884 -7.293 537 1HB ARG 82 1HB ARG 82 12.239 6.020 -8.831 538 2HB ARG 82 2HB ARG 82 11.300 7.282 -9.647 539 1HG ARG 82 1HG ARG 82 14.177 7.878 -9.569 540 2HG ARG 82 2HG ARG 82 13.834 6.348 -10.395 541 1HD ARG 82 1HD ARG 82 12.149 7.551 -11.815 542 2HD ARG 82 2HD ARG 82 12.601 9.072 -11.030 543 HE ARG 82 HE ARG 82 14.516 9.129 -12.366 544 1HH1 ARG 82 1HH1 ARG 82 13.277 5.836 -12.298 545 2HH1 ARG 82 2HH1 ARG 82 14.409 5.250 -13.470 546 1HH2 ARG 82 1HH2 ARG 82 16.007 8.357 -13.913 547 2HH2 ARG 82 2HH2 ARG 82 15.972 6.694 -14.396 548 H TRP 83 H TRP 83 12.375 6.496 -5.740 549 HA TRP 83 HA TRP 83 15.235 6.895 -5.302 550 1HB TRP 83 1HB TRP 83 13.964 7.450 -3.410 551 2HB TRP 83 2HB TRP 83 12.959 6.004 -3.543 552 HD1 TRP 83 HD TRP 83 14.013 3.714 -2.531 553 HE1 TRP 83 1HE TRP 83 16.009 3.138 -0.905 554 HE3 TRP 83 3HE TRP 83 16.274 8.258 -2.849 555 HZ2 TRP 83 2HZ TRP 83 18.258 4.614 0.046 556 HZ3 TRP 83 3HZ TRP 83 18.366 8.607 -1.539 557 HH2 TRP 83 HH TRP 83 19.360 6.876 -0.129 558 H GLY 84 H GLY 84 13.252 4.095 -4.265 559 1HA GLY 84 1HA GLY 84 13.455 2.179 -6.028 560 2HA GLY 84 2HA GLY 84 15.153 2.322 -5.621 561 H THR 85 H THR 85 15.738 2.201 -3.219 562 HA THR 85 HA THR 85 15.685 1.157 -1.255 563 HB THR 85 HB THR 85 12.680 1.251 -1.815 564 HG1 THR 85 1HG THR 85 14.445 2.573 0.109 565 1HG2 THR 85 1HG2 THR 85 12.683 -0.383 -0.120 566 2HG2 THR 85 2HG2 THR 85 14.253 0.149 0.525 567 3HG2 THR 85 3HG2 THR 85 12.785 1.099 0.861 568 H VAL 86 H VAL 86 13.318 -0.479 -3.466 569 HA VAL 86 HA VAL 86 13.317 -2.548 -4.264 570 HB VAL 86 HB VAL 86 16.023 -2.835 -2.947 571 1HG1 VAL 86 1HG1 VAL 86 15.538 -5.025 -3.380 572 2HG1 VAL 86 2HG1 VAL 86 14.375 -4.632 -4.669 573 3HG1 VAL 86 3HG1 VAL 86 16.124 -4.561 -4.994 574 1HG2 VAL 86 1HG2 VAL 86 16.983 -1.804 -4.703 575 2HG2 VAL 86 2HG2 VAL 86 15.875 -2.556 -5.877 576 3HG2 VAL 86 3HG2 VAL 86 15.368 -1.107 -4.976 577 H ASP 87 H ASP 87 15.255 -3.967 -1.733 578 HA ASP 87 HA ASP 87 13.145 -5.494 -0.829 579 1HB ASP 87 1HB ASP 87 15.903 -5.392 -0.470 580 2HB ASP 87 2HB ASP 87 15.294 -5.034 1.153 581 HD2 ASP 87 HD2 ASP 87 15.536 -8.701 0.185 582 H CYS 88 H CYS 88 11.371 -4.672 0.299 583 HA CYS 88 HA CYS 88 11.724 -2.290 1.885 584 1HB CYS 88 1HB CYS 88 9.814 -2.347 0.473 585 2HB CYS 88 2HB CYS 88 9.295 -3.909 1.109 586 H THR 89 H THR 89 13.290 -4.283 2.962 587 HA THR 89 HA THR 89 11.710 -5.603 5.033 588 HB THR 89 HB THR 89 13.401 -6.882 3.677 589 HG1 THR 89 1HG THR 89 13.114 -7.628 5.815 590 1HG2 THR 89 1HG2 THR 89 15.244 -5.478 3.205 591 2HG2 THR 89 2HG2 THR 89 15.212 -4.733 4.821 592 3HG2 THR 89 3HG2 THR 89 15.847 -6.382 4.612 593 H THR 90 H THR 90 13.566 -2.730 4.507 594 HA THR 90 HA THR 90 14.229 -2.478 7.331 595 HB THR 90 HB THR 90 14.812 -0.903 4.783 596 HG1 THR 90 1HG THR 90 16.958 -1.638 5.492 597 1HG2 THR 90 1HG2 THR 90 15.386 -0.210 7.701 598 2HG2 THR 90 2HG2 THR 90 16.402 0.388 6.367 599 3HG2 THR 90 3HG2 THR 90 14.684 0.846 6.451 600 H ALA 91 H ALA 91 12.347 -0.612 4.850 601 HA ALA 91 HA ALA 91 10.996 0.743 7.037 602 1HB ALA 91 1HB ALA 91 10.806 1.097 4.018 603 2HB ALA 91 2HB ALA 91 10.117 2.179 5.253 604 3HB ALA 91 3HB ALA 91 11.882 2.017 5.096 605 H ALA 92 H ALA 92 8.705 0.672 7.341 606 HA ALA 92 HA ALA 92 7.584 -1.873 6.571 607 1HB ALA 92 1HB ALA 92 7.053 -1.428 8.770 608 2HB ALA 92 2HB ALA 92 6.977 0.330 8.512 609 3HB ALA 92 3HB ALA 92 5.629 -0.705 7.985 610 H CYS 93 H CYS 93 6.419 -2.175 4.744 611 HA CYS 93 HA CYS 93 5.620 0.135 3.244 612 1HB CYS 93 1HB CYS 93 4.663 -2.403 2.227 613 2HB CYS 93 2HB CYS 93 5.718 -1.203 1.475 614 H GLN 94 H GLN 94 3.630 1.099 3.482 615 HA GLN 94 HA GLN 94 1.640 -0.394 4.959 616 1HB GLN 94 1HB GLN 94 1.921 2.547 4.256 617 2HB GLN 94 2HB GLN 94 0.492 1.888 5.071 618 1HG GLN 94 1HG GLN 94 1.595 1.643 7.056 619 2HG GLN 94 2HG GLN 94 3.095 1.105 6.285 620 1HE2 GLN 94 1HE2 GLN 94 2.662 2.999 8.450 621 2HE2 GLN 94 2HE2 GLN 94 3.346 4.515 7.962 622 H VAL 95 H VAL 95 0.128 -1.512 3.814 623 HA VAL 95 HA VAL 95 -0.335 -0.764 1.054 624 HB VAL 95 HB VAL 95 -1.517 -3.045 2.638 625 1HG1 VAL 95 1HG1 VAL 95 -2.201 -3.950 0.643 626 2HG1 VAL 95 2HG1 VAL 95 -2.320 -2.220 0.244 627 3HG1 VAL 95 3HG1 VAL 95 -0.905 -3.160 -0.290 628 1HG2 VAL 95 1HG2 VAL 95 1.223 -2.674 1.532 629 2HG2 VAL 95 2HG2 VAL 95 0.661 -3.652 2.911 630 3HG2 VAL 95 3HG2 VAL 95 0.447 -4.250 1.248 631 H GLY 96 H GLY 96 -1.826 0.763 0.588 632 1HA GLY 96 1HA GLY 96 -4.475 0.565 1.668 633 2HA GLY 96 2HA GLY 96 -3.589 1.931 2.317 634 H LEU 97 H LEU 97 -5.690 2.769 0.977 635 HA LEU 97 HA LEU 97 -4.785 3.285 -1.766 636 1HB LEU 97 1HB LEU 97 -6.986 3.504 -2.418 637 2HB LEU 97 2HB LEU 97 -6.983 2.099 -1.337 638 HG LEU 97 HG LEU 97 -7.947 4.900 -0.697 639 1HD1 LEU 97 1HD1 LEU 97 -9.288 3.127 -2.161 640 2HD1 LEU 97 2HD1 LEU 97 -9.711 2.501 -0.548 641 3HD1 LEU 97 3HD1 LEU 97 -10.090 4.187 -0.978 642 1HD2 LEU 97 1HD2 LEU 97 -7.600 2.470 1.057 643 2HD2 LEU 97 2HD2 LEU 97 -7.046 4.141 1.327 644 3HD2 LEU 97 3HD2 LEU 97 -8.779 3.751 1.435 645 H SER 98 H SER 98 -4.685 5.427 -2.548 646 HA SER 98 HA SER 98 -4.355 7.330 -0.416 647 1HB SER 98 1HB SER 98 -3.018 8.536 -1.875 648 2HB SER 98 2HB SER 98 -2.788 6.898 -2.510 649 HG SER 98 HG SER 98 -4.547 7.416 -4.056 650 H ASP 99 H ASP 99 -5.322 9.549 -0.589 651 HA ASP 99 HA ASP 99 -8.006 9.305 -1.615 652 1HB ASP 99 1HB ASP 99 -7.193 11.814 -0.256 653 2HB ASP 99 2HB ASP 99 -8.607 10.789 0.035 654 HD2 ASP 99 HD2 ASP 99 -5.274 9.777 1.977 655 H ALA 100 H ALA 100 -8.943 11.241 -2.830 656 HA ALA 100 HA ALA 100 -7.065 12.140 -4.803 657 1HB ALA 100 1HB ALA 100 -9.834 11.630 -4.642 658 2HB ALA 100 2HB ALA 100 -9.694 13.384 -4.903 659 3HB ALA 100 3HB ALA 100 -8.936 12.251 -6.047 660 H ALA 101 H ALA 101 -7.638 13.089 -1.673 661 HA ALA 101 HA ALA 101 -7.491 15.947 -2.264 662 1HB ALA 101 1HB ALA 101 -9.103 15.615 -0.619 663 2HB ALA 101 2HB ALA 101 -8.225 14.254 0.118 664 3HB ALA 101 3HB ALA 101 -7.660 15.922 0.375 665 H GLY 102 H GLY 102 -5.478 13.245 -1.826 666 1HA GLY 102 1HA GLY 102 -3.262 13.037 -1.510 667 2HA GLY 102 2HA GLY 102 -3.119 14.761 -1.788 668 H ASN 103 H ASN 103 -4.745 12.800 0.809 669 HA ASN 103 HA ASN 103 -3.086 14.275 2.697 670 1HB ASN 103 1HB ASN 103 -5.975 13.341 3.050 671 2HB ASN 103 2HB ASN 103 -5.020 14.157 4.296 672 1HD2 ASN 103 1HD2 ASN 103 -7.535 14.904 3.000 673 2HD2 ASN 103 2HD2 ASN 103 -7.303 16.466 2.290 674 H GLY 104 H GLY 104 -2.491 13.014 4.654 675 1HA GLY 104 1HA GLY 104 -1.542 10.550 4.397 676 2HA GLY 104 2HA GLY 104 -2.215 11.129 5.908 677 HA PRO 105 HA PRO 105 -5.349 8.340 3.643 678 1HB PRO 105 1HB PRO 105 -4.267 6.414 2.036 679 2HB PRO 105 2HB PRO 105 -4.936 7.922 1.416 680 1HG PRO 105 1HG PRO 105 -2.125 7.104 1.783 681 2HG PRO 105 2HG PRO 105 -2.788 8.405 0.729 682 1HD PRO 105 1HD PRO 105 -1.420 8.666 3.231 683 2HD PRO 105 2HD PRO 105 -2.193 9.962 2.312 684 H GLU 106 H GLU 106 -5.927 5.879 3.797 685 HA GLU 106 HA GLU 106 -4.725 5.150 6.308 686 1HB GLU 106 1HB GLU 106 -7.273 4.704 4.947 687 2HB GLU 106 2HB GLU 106 -6.633 3.198 5.629 688 1HG GLU 106 1HG GLU 106 -6.396 5.550 7.415 689 2HG GLU 106 2HG GLU 106 -8.068 5.113 7.032 690 HE2 GLU 106 HE2 GLU 106 -7.469 2.991 9.762 691 H GLY 107 H GLY 107 -2.820 4.030 6.179 692 1HA GLY 107 1HA GLY 107 -2.686 1.843 4.189 693 2HA GLY 107 2HA GLY 107 -1.328 2.885 4.565 694 H VAL 108 H VAL 108 -2.213 -0.162 5.008 695 HA VAL 108 HA VAL 108 -1.593 -0.264 7.866 696 HB VAL 108 HB VAL 108 -3.643 -1.371 6.890 697 1HG1 VAL 108 1HG1 VAL 108 -1.591 -3.320 5.783 698 2HG1 VAL 108 2HG1 VAL 108 -3.362 -3.519 5.758 699 3HG1 VAL 108 3HG1 VAL 108 -2.601 -2.213 4.819 700 1HG2 VAL 108 1HG2 VAL 108 -3.211 -2.137 9.010 701 2HG2 VAL 108 2HG2 VAL 108 -2.993 -3.649 8.096 702 3HG2 VAL 108 3HG2 VAL 108 -1.573 -2.700 8.597 703 H ALA 109 H ALA 109 0.474 -0.644 8.456 704 HA ALA 109 HA ALA 109 2.478 -1.147 6.580 705 1HB ALA 109 1HB ALA 109 3.450 -0.240 8.415 706 2HB ALA 109 2HB ALA 109 2.188 -0.859 9.505 707 3HB ALA 109 3HB ALA 109 3.534 -1.914 9.012 708 H ILE 110 H ILE 110 1.731 -2.967 5.310 709 HA ILE 110 HA ILE 110 1.714 -5.504 6.768 710 HB ILE 110 HB ILE 110 0.128 -4.412 4.682 711 1HG1 ILE 110 1HG1 ILE 110 -1.287 -6.259 5.135 712 2HG1 ILE 110 2HG1 ILE 110 0.043 -7.216 5.813 713 1HG2 ILE 110 1HG2 ILE 110 1.623 -6.913 3.852 714 2HG2 ILE 110 2HG2 ILE 110 0.217 -6.205 3.017 715 3HG2 ILE 110 3HG2 ILE 110 1.752 -5.307 3.098 716 1HD1 ILE 110 1HD1 ILE 110 -1.647 -5.941 7.409 717 2HD1 ILE 110 2HD1 ILE 110 0.090 -5.975 7.800 718 3HD1 ILE 110 3HD1 ILE 110 -0.626 -4.534 7.033 719 H SER 111 H SER 111 3.431 -6.852 6.660 720 HA SER 111 HA SER 111 4.847 -7.612 4.606 721 1HB SER 111 1HB SER 111 6.986 -6.058 4.862 722 2HB SER 111 2HB SER 111 5.668 -5.613 3.761 723 HG SER 111 HG SER 111 5.197 -4.696 6.330 724 H PHE 112 H PHE 112 5.611 -5.906 7.727 725 HA PHE 112 HA PHE 112 6.261 -8.369 8.982 726 1HB PHE 112 1HB PHE 112 8.282 -6.829 7.547 727 2HB PHE 112 2HB PHE 112 8.635 -6.724 9.275 728 HD1 PHE 112 1HD PHE 112 8.061 -9.283 10.357 729 HD2 PHE 112 2HD PHE 112 9.649 -8.359 6.533 730 HE1 PHE 112 1HE PHE 112 9.145 -11.546 10.260 731 HE2 PHE 112 2HE PHE 112 10.731 -10.622 6.434 732 HZ PHE 112 HZ PHE 112 10.466 -12.187 8.300 733 H ASN 113 H ASN 113 4.873 -7.784 10.658 734 HA ASN 113 HA ASN 113 4.512 -5.321 11.680 735 1HB ASN 113 1HB ASN 113 3.646 -7.862 12.291 736 2HB ASN 113 2HB ASN 113 4.621 -7.505 13.724 737 1HD2 ASN 113 1HD2 ASN 113 3.861 -6.189 15.244 738 2HD2 ASN 113 2HD2 ASN 113 2.366 -5.316 15.182 739 6H NCZ 130 6H NCZ 130 1.216 13.657 0.289 740 6H1 NCZ 130 6H1 NCZ 130 -0.471 11.382 0.966 741 5H1 NCZ 130 5H1 NCZ 130 1.075 12.232 2.934 742 4H1 NCZ 130 4H1 NCZ 130 3.587 11.421 2.144 743 5H NCZ 130 5H NCZ 130 3.446 11.559 -1.484 744 3H1 NCZ 130 3H1 NCZ 130 3.196 9.981 0.216 745 2H1 NCZ 130 2H1 NCZ 130 1.442 11.186 -1.105 746 2H NCZ 130 2H NCZ 130 -0.344 7.970 -3.807 747 8H NCZ 130 8H NCZ 130 -1.148 4.903 -3.296 748 7H NCZ 130 7H NCZ 130 -1.647 3.845 -1.120 749 3H NCZ 130 3H NCZ 130 -0.505 4.791 3.342 750 1H17 NCZ 130 1H17 NCZ 130 1.687 8.414 4.831 751 2H17 NCZ 130 2H17 NCZ 130 2.170 8.546 3.123 752 3H17 NCZ 130 3H17 NCZ 130 0.514 8.970 3.616 753 1H18 NCZ 130 1H18 NCZ 130 -1.520 2.892 0.436 754 2H18 NCZ 130 2H18 NCZ 130 -1.243 2.893 2.193 755 3H18 NCZ 130 3H18 NCZ 130 -2.652 3.741 1.516 756 1H NCZ 130 1H NCZ 130 1.278 7.953 1.150 Start of MODEL 7 1 H ALA 1 H ALA 1 -9.995 -6.262 13.189 2 HA ALA 1 HA ALA 1 -12.353 -7.654 12.581 3 1HB ALA 1 1HB ALA 1 -11.603 -5.196 14.161 4 2HB ALA 1 2HB ALA 1 -13.320 -5.588 13.898 5 3HB ALA 1 3HB ALA 1 -12.260 -6.749 14.729 6 H ALA 2 H ALA 2 -11.902 -4.073 12.223 7 HA ALA 2 HA ALA 2 -12.884 -4.262 9.495 8 1HB ALA 2 1HB ALA 2 -14.708 -2.704 9.894 9 2HB ALA 2 2HB ALA 2 -14.896 -4.097 10.986 10 3HB ALA 2 3HB ALA 2 -14.259 -2.558 11.610 11 HA PRO 3 HA PRO 3 -9.760 -1.026 10.574 12 1HB PRO 3 1HB PRO 3 -7.458 -2.225 9.726 13 2HB PRO 3 2HB PRO 3 -7.964 -2.198 11.413 14 1HG PRO 3 1HG PRO 3 -8.081 -4.382 9.433 15 2HG PRO 3 2HG PRO 3 -8.137 -4.490 11.232 16 1HD PRO 3 1HD PRO 3 -10.289 -4.764 9.362 17 2HD PRO 3 2HD PRO 3 -10.423 -4.719 11.125 18 H THR 4 H THR 4 -11.547 -0.867 8.637 19 HA THR 4 HA THR 4 -11.886 -0.305 6.498 20 HB THR 4 HB THR 4 -10.223 1.470 5.722 21 HG1 THR 4 1HG THR 4 -8.374 1.694 7.079 22 1HG2 THR 4 1HG2 THR 4 -10.258 2.633 8.220 23 2HG2 THR 4 2HG2 THR 4 -11.646 2.662 7.104 24 3HG2 THR 4 3HG2 THR 4 -11.567 1.439 8.396 25 H ALA 5 H ALA 5 -8.889 0.203 5.123 26 HA ALA 5 HA ALA 5 -9.142 -2.288 3.660 27 1HB ALA 5 1HB ALA 5 -8.376 -1.044 1.948 28 2HB ALA 5 2HB ALA 5 -8.474 0.369 3.026 29 3HB ALA 5 3HB ALA 5 -6.947 -0.535 2.879 30 H THR 6 H THR 6 -7.950 -4.068 4.116 31 HA THR 6 HA THR 6 -5.269 -3.729 5.171 32 HB THR 6 HB THR 6 -6.081 -5.552 6.979 33 HG1 THR 6 1HG THR 6 -8.278 -5.585 6.234 34 1HG2 THR 6 1HG2 THR 6 -5.715 -3.842 8.450 35 2HG2 THR 6 2HG2 THR 6 -5.665 -2.726 7.063 36 3HG2 THR 6 3HG2 THR 6 -7.200 -3.023 7.913 37 H VAL 7 H VAL 7 -3.948 -5.617 4.950 38 HA VAL 7 HA VAL 7 -4.846 -7.223 2.726 39 HB VAL 7 HB VAL 7 -2.223 -7.377 4.209 40 1HG1 VAL 7 1HG1 VAL 7 -1.656 -8.837 2.622 41 2HG1 VAL 7 2HG1 VAL 7 -3.311 -8.753 1.977 42 3HG1 VAL 7 3HG1 VAL 7 -2.055 -7.658 1.352 43 1HG2 VAL 7 1HG2 VAL 7 -2.802 -5.540 1.868 44 2HG2 VAL 7 2HG2 VAL 7 -2.817 -5.003 3.567 45 3HG2 VAL 7 3HG2 VAL 7 -1.319 -5.638 2.845 46 H THR 8 H THR 8 -5.465 -9.354 2.796 47 HA THR 8 HA THR 8 -6.613 -10.510 4.889 48 HB THR 8 HB THR 8 -5.252 -11.437 2.412 49 HG1 THR 8 1HG THR 8 -7.646 -12.086 3.985 50 1HG2 THR 8 1HG2 THR 8 -4.341 -13.085 4.135 51 2HG2 THR 8 2HG2 THR 8 -6.023 -13.438 4.599 52 3HG2 THR 8 3HG2 THR 8 -5.454 -13.824 2.958 53 HA PRO 9 HA PRO 9 -2.664 -12.315 6.646 54 1HB PRO 9 1HB PRO 9 -0.242 -11.839 5.474 55 2HB PRO 9 2HB PRO 9 -1.204 -13.280 5.148 56 1HG PRO 9 1HG PRO 9 -0.806 -10.857 3.513 57 2HG PRO 9 2HG PRO 9 -1.370 -12.486 2.990 58 1HD PRO 9 1HD PRO 9 -2.912 -10.101 3.366 59 2HD PRO 9 2HD PRO 9 -3.537 -11.716 3.005 60 H SER 10 H SER 10 -0.106 -11.358 7.301 61 HA SER 10 HA SER 10 -0.513 -8.566 7.786 62 1HB SER 10 1HB SER 10 -0.459 -10.616 10.024 63 2HB SER 10 2HB SER 10 -0.097 -8.903 10.298 64 HG SER 10 HG SER 10 -2.294 -9.201 10.729 65 H SER 11 H SER 11 1.396 -11.411 9.039 66 HA SER 11 HA SER 11 3.775 -9.963 8.172 67 1HB SER 11 1HB SER 11 3.927 -9.810 10.504 68 2HB SER 11 2HB SER 11 3.212 -11.411 10.766 69 HG SER 11 HG SER 11 5.145 -12.378 10.371 70 H GLY 12 H GLY 12 5.697 -11.496 7.789 71 1HA GLY 12 1HA GLY 12 6.595 -13.471 7.087 72 2HA GLY 12 2HA GLY 12 5.064 -14.282 7.357 73 H LEU 13 H LEU 13 4.971 -11.275 5.535 74 HA LEU 13 HA LEU 13 3.963 -12.658 3.258 75 1HB LEU 13 1HB LEU 13 4.614 -9.764 3.784 76 2HB LEU 13 2HB LEU 13 3.849 -10.362 2.300 77 HG LEU 13 HG LEU 13 2.371 -11.317 4.565 78 1HD1 LEU 13 1HD1 LEU 13 1.766 -9.395 5.756 79 2HD1 LEU 13 2HD1 LEU 13 3.538 -9.298 5.633 80 3HD1 LEU 13 3HD1 LEU 13 2.517 -8.304 4.566 81 1HD2 LEU 13 1HD2 LEU 13 1.072 -11.163 2.720 82 2HD2 LEU 13 2HD2 LEU 13 0.713 -9.556 3.398 83 3HD2 LEU 13 3HD2 LEU 13 1.920 -9.727 2.100 84 H SER 14 H SER 14 4.860 -12.337 1.020 85 HA SER 14 HA SER 14 7.771 -12.240 1.156 86 1HB SER 14 1HB SER 14 6.634 -14.545 0.782 87 2HB SER 14 2HB SER 14 6.257 -13.947 -0.843 88 HG SER 14 HG SER 14 8.914 -14.029 0.308 89 H ASP 15 H ASP 15 8.838 -11.409 -0.816 90 HA ASP 15 HA ASP 15 7.605 -9.183 -1.818 91 1HB ASP 15 1HB ASP 15 9.426 -9.460 -3.685 92 2HB ASP 15 2HB ASP 15 9.947 -9.205 -2.014 93 HD2 ASP 15 HD2 ASP 15 11.352 -12.373 -1.831 94 H GLY 16 H GLY 16 5.446 -9.999 -2.546 95 1HA GLY 16 1HA GLY 16 4.540 -10.054 -4.853 96 2HA GLY 16 2HA GLY 16 5.570 -11.444 -5.125 97 H THR 17 H THR 17 3.780 -10.690 -2.088 98 HA THR 17 HA THR 17 2.505 -13.296 -2.277 99 HB THR 17 HB THR 17 2.687 -11.157 -0.092 100 HG1 THR 17 1HG THR 17 3.792 -13.844 -0.530 101 1HG2 THR 17 1HG2 THR 17 1.338 -13.876 -0.227 102 2HG2 THR 17 2HG2 THR 17 2.105 -13.349 1.293 103 3HG2 THR 17 3HG2 THR 17 0.780 -12.393 0.584 104 H VAL 18 H VAL 18 0.768 -13.400 -3.583 105 HA VAL 18 HA VAL 18 -0.931 -11.133 -3.922 106 HB VAL 18 HB VAL 18 -1.423 -13.998 -4.738 107 1HG1 VAL 18 1HG1 VAL 18 -2.216 -11.532 -6.276 108 2HG1 VAL 18 2HG1 VAL 18 -2.921 -13.167 -6.315 109 3HG1 VAL 18 3HG1 VAL 18 -3.209 -12.106 -4.914 110 1HG2 VAL 18 1HG2 VAL 18 -0.321 -12.437 -6.876 111 2HG2 VAL 18 2HG2 VAL 18 0.779 -12.355 -5.479 112 3HG2 VAL 18 3HG2 VAL 18 0.303 -13.935 -6.145 113 H VAL 19 H VAL 19 -2.509 -10.490 -2.557 114 HA VAL 19 HA VAL 19 -3.987 -12.556 -1.129 115 HB VAL 19 HB VAL 19 -3.833 -10.981 0.910 116 1HG1 VAL 19 1HG1 VAL 19 -1.267 -12.100 1.092 117 2HG1 VAL 19 2HG1 VAL 19 -2.803 -12.839 1.605 118 3HG1 VAL 19 3HG1 VAL 19 -2.159 -13.167 -0.021 119 1HG2 VAL 19 1HG2 VAL 19 -1.512 -10.028 -0.770 120 2HG2 VAL 19 2HG2 VAL 19 -2.731 -9.075 0.113 121 3HG2 VAL 19 3HG2 VAL 19 -1.462 -9.948 1.008 122 H LYS 20 H LYS 20 -5.861 -11.263 0.170 123 HA LYS 20 HA LYS 20 -6.941 -9.384 -1.811 124 1HB LYS 20 1HB LYS 20 -8.134 -11.520 -1.652 125 2HB LYS 20 2HB LYS 20 -8.424 -11.241 0.074 126 1HG LYS 20 1HG LYS 20 -9.966 -9.554 -0.329 127 2HG LYS 20 2HG LYS 20 -9.237 -9.093 -1.876 128 1HD LYS 20 1HD LYS 20 -11.114 -10.164 -2.668 129 2HD LYS 20 2HD LYS 20 -10.050 -11.576 -2.543 130 1HE LYS 20 1HE LYS 20 -11.528 -10.855 -0.062 131 2HE LYS 20 2HE LYS 20 -12.545 -11.406 -1.401 132 1HZ LYS 20 1HZ LYS 20 -11.535 -13.102 0.184 133 2HZ LYS 20 2HZ LYS 20 -11.493 -13.428 -1.416 134 3HZ LYS 20 3HZ LYS 20 -10.150 -12.893 -0.653 135 H VAL 21 H VAL 21 -7.383 -7.324 -1.185 136 HA VAL 21 HA VAL 21 -6.966 -6.747 1.654 137 HB VAL 21 HB VAL 21 -7.057 -4.741 -0.584 138 1HG1 VAL 21 1HG1 VAL 21 -5.821 -3.350 0.873 139 2HG1 VAL 21 2HG1 VAL 21 -7.065 -4.105 1.897 140 3HG1 VAL 21 3HG1 VAL 21 -5.389 -4.706 1.940 141 1HG2 VAL 21 1HG2 VAL 21 -5.109 -6.870 -0.249 142 2HG2 VAL 21 2HG2 VAL 21 -5.266 -5.664 -1.548 143 3HG2 VAL 21 3HG2 VAL 21 -4.354 -5.267 -0.073 144 H ALA 22 H ALA 22 -8.834 -6.753 2.801 145 HA ALA 22 HA ALA 22 -11.291 -6.002 1.448 146 1HB ALA 22 1HB ALA 22 -12.302 -6.763 3.623 147 2HB ALA 22 2HB ALA 22 -11.334 -8.010 2.799 148 3HB ALA 22 3HB ALA 22 -10.660 -7.140 4.199 149 H GLY 23 H GLY 23 -12.365 -4.080 1.750 150 1HA GLY 23 1HA GLY 23 -11.054 -2.145 3.556 151 2HA GLY 23 2HA GLY 23 -11.951 -1.755 2.103 152 H ALA 24 H ALA 24 -12.198 -2.862 5.488 153 HA ALA 24 HA ALA 24 -15.081 -2.824 5.416 154 1HB ALA 24 1HB ALA 24 -14.715 -4.268 7.097 155 2HB ALA 24 2HB ALA 24 -12.977 -3.890 7.089 156 3HB ALA 24 3HB ALA 24 -14.093 -2.920 8.080 157 H GLY 25 H GLY 25 -15.618 -0.670 4.825 158 1HA GLY 25 1HA GLY 25 -16.454 1.318 5.683 159 2HA GLY 25 2HA GLY 25 -15.341 1.229 7.034 160 H LEU 26 H LEU 26 -14.303 0.648 3.664 161 HA LEU 26 HA LEU 26 -12.383 2.761 3.914 162 1HB LEU 26 1HB LEU 26 -12.117 0.449 2.851 163 2HB LEU 26 2HB LEU 26 -12.936 1.147 1.442 164 HG LEU 26 HG LEU 26 -11.163 2.680 1.064 165 1HD1 LEU 26 1HD1 LEU 26 -10.488 2.129 3.900 166 2HD1 LEU 26 2HD1 LEU 26 -9.121 2.415 2.795 167 3HD1 LEU 26 3HD1 LEU 26 -10.400 3.639 2.961 168 1HD2 LEU 26 1HD2 LEU 26 -9.101 1.071 1.140 169 2HD2 LEU 26 2HD2 LEU 26 -10.307 -0.134 1.651 170 3HD2 LEU 26 3HD2 LEU 26 -10.492 0.703 0.090 171 H GLN 27 H GLN 27 -13.024 2.857 0.710 172 HA GLN 27 HA GLN 27 -14.184 5.410 0.924 173 1HB GLN 27 1HB GLN 27 -13.206 3.622 -1.258 174 2HB GLN 27 2HB GLN 27 -14.354 4.886 -1.735 175 1HG GLN 27 1HG GLN 27 -11.762 5.375 -1.718 176 2HG GLN 27 2HG GLN 27 -12.883 6.613 -1.134 177 1HE2 GLN 27 1HE2 GLN 27 -12.959 7.141 0.996 178 2HE2 GLN 27 2HE2 GLN 27 -11.825 6.587 2.184 179 H ALA 28 H ALA 28 -16.281 5.456 1.728 180 HA ALA 28 HA ALA 28 -18.213 3.526 1.254 181 1HB ALA 28 1HB ALA 28 -17.958 6.090 2.545 182 2HB ALA 28 2HB ALA 28 -19.471 6.063 1.604 183 3HB ALA 28 3HB ALA 28 -19.163 4.811 2.832 184 H GLY 29 H GLY 29 -18.313 2.890 -0.934 185 1HA GLY 29 1HA GLY 29 -19.164 2.948 -3.017 186 2HA GLY 29 2HA GLY 29 -20.060 4.389 -2.574 187 H THR 30 H THR 30 -16.751 4.858 -1.860 188 HA THR 30 HA THR 30 -16.481 6.557 -4.210 189 HB THR 30 HB THR 30 -14.226 6.742 -2.469 190 HG1 THR 30 1HG THR 30 -15.331 6.747 -0.421 191 1HG2 THR 30 1HG2 THR 30 -16.808 8.372 -2.288 192 2HG2 THR 30 2HG2 THR 30 -15.168 8.897 -1.839 193 3HG2 THR 30 3HG2 THR 30 -15.584 8.642 -3.551 194 H ALA 31 H ALA 31 -13.996 6.686 -4.957 195 HA ALA 31 HA ALA 31 -12.902 4.007 -5.192 196 1HB ALA 31 1HB ALA 31 -13.246 3.744 -7.442 197 2HB ALA 31 2HB ALA 31 -14.675 4.745 -7.093 198 3HB ALA 31 3HB ALA 31 -13.206 5.496 -7.763 199 H TYR 32 H TYR 32 -10.791 4.241 -4.671 200 HA TYR 32 HA TYR 32 -9.483 6.730 -5.537 201 1HB TYR 32 1HB TYR 32 -9.318 4.981 -3.021 202 2HB TYR 32 2HB TYR 32 -8.077 6.183 -3.383 203 HD1 TYR 32 1HD TYR 32 -10.618 7.906 -4.646 204 HD2 TYR 32 2HD TYR 32 -9.492 6.307 -0.840 205 HE1 TYR 32 1HE TYR 32 -12.020 9.676 -3.479 206 HE2 TYR 32 2HE TYR 32 -10.897 8.083 0.313 207 HH TYR 32 HH TYR 32 -12.902 9.461 -0.289 208 H ASP 33 H ASP 33 -6.862 6.053 -4.805 209 HA ASP 33 HA ASP 33 -6.392 3.937 -6.734 210 1HB ASP 33 1HB ASP 33 -5.357 6.424 -6.661 211 2HB ASP 33 2HB ASP 33 -4.167 5.630 -5.619 212 HD2 ASP 33 HD2 ASP 33 -2.492 4.820 -8.482 213 H VAL 34 H VAL 34 -5.705 1.949 -5.922 214 HA VAL 34 HA VAL 34 -4.929 1.837 -3.125 215 HB VAL 34 HB VAL 34 -6.434 0.234 -4.864 216 1HG1 VAL 34 1HG1 VAL 34 -5.385 -1.891 -4.953 217 2HG1 VAL 34 2HG1 VAL 34 -4.175 -0.725 -5.542 218 3HG1 VAL 34 3HG1 VAL 34 -4.059 -1.369 -3.886 219 1HG2 VAL 34 1HG2 VAL 34 -7.230 -0.579 -2.917 220 2HG2 VAL 34 2HG2 VAL 34 -5.609 -1.000 -2.312 221 3HG2 VAL 34 3HG2 VAL 34 -6.206 0.671 -2.174 222 H GLY 35 H GLY 35 -2.898 1.202 -2.383 223 1HA GLY 35 1HA GLY 35 -0.910 -0.030 -3.879 224 2HA GLY 35 2HA GLY 35 -0.702 1.696 -4.106 225 H GLN 36 H GLN 36 1.105 -0.163 -2.696 226 HA GLN 36 HA GLN 36 0.716 0.563 0.069 227 1HB GLN 36 1HB GLN 36 2.423 -1.037 0.575 228 2HB GLN 36 2HB GLN 36 1.391 -1.778 -0.660 229 1HG GLN 36 1HG GLN 36 3.440 -0.290 -2.004 230 2HG GLN 36 2HG GLN 36 4.232 -1.253 -0.746 231 1HE2 GLN 36 1HE2 GLN 36 4.360 -1.507 -3.629 232 2HE2 GLN 36 2HE2 GLN 36 3.806 -3.094 -4.046 233 H CYS 37 H CYS 37 1.462 2.534 0.723 234 HA CYS 37 HA CYS 37 3.854 3.541 -0.627 235 1HB CYS 37 1HB CYS 37 1.544 4.787 -0.570 236 2HB CYS 37 2HB CYS 37 2.079 5.280 1.040 237 H ALA 38 H ALA 38 5.503 4.577 0.772 238 HA ALA 38 HA ALA 38 5.349 4.594 3.550 239 1HB ALA 38 1HB ALA 38 6.800 2.655 4.084 240 2HB ALA 38 2HB ALA 38 5.255 2.144 3.361 241 3HB ALA 38 3HB ALA 38 6.740 2.151 2.379 242 H TRP 39 H TRP 39 7.487 5.172 4.522 243 HA TRP 39 HA TRP 39 8.858 6.952 2.837 244 1HB TRP 39 1HB TRP 39 9.783 5.854 5.490 245 2HB TRP 39 2HB TRP 39 10.268 7.370 4.724 246 HD1 TRP 39 HD TRP 39 8.043 9.193 4.433 247 HE1 TRP 39 1HE TRP 39 6.129 9.807 6.140 248 HE3 TRP 39 3HE TRP 39 8.513 5.002 7.272 249 HZ2 TRP 39 2HZ TRP 39 5.047 8.499 8.436 250 HZ3 TRP 39 3HZ TRP 39 6.989 4.748 9.227 251 HH2 TRP 39 HH TRP 39 5.301 6.411 9.825 252 H VAL 40 H VAL 40 10.260 6.403 1.226 253 HA VAL 40 HA VAL 40 11.594 3.815 1.426 254 HB VAL 40 HB VAL 40 10.195 4.885 -0.588 255 1HG1 VAL 40 1HG1 VAL 40 11.830 6.793 -0.768 256 2HG1 VAL 40 2HG1 VAL 40 13.051 5.615 -1.307 257 3HG1 VAL 40 3HG1 VAL 40 11.580 5.878 -2.275 258 1HG2 VAL 40 1HG2 VAL 40 12.229 2.813 -0.309 259 2HG2 VAL 40 2HG2 VAL 40 10.693 2.794 -1.210 260 3HG2 VAL 40 3HG2 VAL 40 12.160 3.461 -1.966 261 H ASP 41 H ASP 41 12.200 7.346 1.037 262 HA ASP 41 HA ASP 41 15.014 6.906 1.014 263 1HB ASP 41 1HB ASP 41 13.487 8.856 -0.009 264 2HB ASP 41 2HB ASP 41 13.782 9.603 1.568 265 HD2 ASP 41 HD2 ASP 41 16.821 9.269 -0.979 266 H THR 42 H THR 42 15.550 9.388 2.674 267 HA THR 42 HA THR 42 15.560 8.090 5.252 268 HB THR 42 HB THR 42 17.540 9.314 4.302 269 HG1 THR 42 1HG THR 42 17.089 9.183 6.646 270 1HG2 THR 42 1HG2 THR 42 15.506 11.513 4.182 271 2HG2 THR 42 2HG2 THR 42 17.090 11.965 4.856 272 3HG2 THR 42 3HG2 THR 42 16.983 11.286 3.214 273 H GLY 43 H GLY 43 12.953 8.262 4.722 274 1HA GLY 43 1HA GLY 43 11.308 8.913 6.315 275 2HA GLY 43 2HA GLY 43 12.097 10.470 6.483 276 H VAL 44 H VAL 44 12.318 9.715 3.219 277 HA VAL 44 HA VAL 44 10.194 11.556 2.599 278 HB VAL 44 HB VAL 44 12.057 10.058 0.750 279 1HG1 VAL 44 1HG1 VAL 44 11.585 12.511 -0.370 280 2HG1 VAL 44 2HG1 VAL 44 10.698 11.021 -0.769 281 3HG1 VAL 44 3HG1 VAL 44 10.022 12.169 0.411 282 1HG2 VAL 44 1HG2 VAL 44 13.013 11.582 2.727 283 2HG2 VAL 44 2HG2 VAL 44 13.741 11.562 1.104 284 3HG2 VAL 44 3HG2 VAL 44 12.629 12.873 1.563 285 H LEU 45 H LEU 45 8.125 10.874 2.455 286 HA LEU 45 HA LEU 45 7.416 8.183 2.287 287 1HB LEU 45 1HB LEU 45 5.976 9.789 3.270 288 2HB LEU 45 2HB LEU 45 5.883 10.729 1.770 289 HG LEU 45 HG LEU 45 3.838 9.429 2.268 290 1HD1 LEU 45 1HD1 LEU 45 4.756 9.989 -0.095 291 2HD1 LEU 45 2HD1 LEU 45 5.054 8.239 -0.211 292 3HD1 LEU 45 3HD1 LEU 45 3.404 8.844 0.069 293 1HD2 LEU 45 1HD2 LEU 45 5.330 6.901 1.612 294 2HD2 LEU 45 2HD2 LEU 45 5.224 7.494 3.287 295 3HD2 LEU 45 3HD2 LEU 45 3.740 7.110 2.385 296 H ALA 46 H ALA 46 7.941 6.862 0.624 297 HA ALA 46 HA ALA 46 7.501 7.940 -2.077 298 1HB ALA 46 1HB ALA 46 9.851 6.794 -0.848 299 2HB ALA 46 2HB ALA 46 9.292 5.734 -2.164 300 3HB ALA 46 3HB ALA 46 9.651 7.446 -2.493 301 H CYS 47 H CYS 47 6.260 6.698 -3.481 302 HA CYS 47 HA CYS 47 4.980 4.406 -2.215 303 1HB CYS 47 1HB CYS 47 4.137 5.985 -4.649 304 2HB CYS 47 2HB CYS 47 3.225 4.679 -3.884 305 H ASN 48 H ASN 48 4.603 2.456 -3.628 306 HA ASN 48 HA ASN 48 6.988 1.949 -5.127 307 1HB ASN 48 1HB ASN 48 4.592 0.105 -4.716 308 2HB ASN 48 2HB ASN 48 6.245 -0.378 -5.115 309 1HD2 ASN 48 1HD2 ASN 48 6.956 1.999 -3.210 310 2HD2 ASN 48 2HD2 ASN 48 6.937 1.285 -1.632 311 HA PRO 49 HA PRO 49 5.035 2.189 -9.049 312 1HB PRO 49 1HB PRO 49 6.140 0.146 -10.486 313 2HB PRO 49 2HB PRO 49 6.968 1.673 -10.191 314 1HG PRO 49 1HG PRO 49 7.359 -0.968 -8.935 315 2HG PRO 49 2HG PRO 49 8.494 0.429 -8.988 316 1HD PRO 49 1HD PRO 49 6.899 -0.486 -6.794 317 2HD PRO 49 2HD PRO 49 7.875 0.987 -6.845 318 H ALA 50 H ALA 50 4.429 -0.431 -7.086 319 HA ALA 50 HA ALA 50 2.329 -1.358 -8.914 320 1HB ALA 50 1HB ALA 50 3.106 -3.386 -8.329 321 2HB ALA 50 2HB ALA 50 4.217 -2.662 -7.139 322 3HB ALA 50 3HB ALA 50 2.549 -3.068 -6.668 323 H ASP 51 H ASP 51 2.613 1.068 -6.872 324 HA ASP 51 HA ASP 51 0.504 0.388 -5.055 325 1HB ASP 51 1HB ASP 51 1.890 1.835 -3.946 326 2HB ASP 51 2HB ASP 51 2.456 2.608 -5.436 327 HD2 ASP 51 HD2 ASP 51 -0.037 5.049 -5.246 328 H PHE 52 H PHE 52 0.492 0.922 -8.259 329 HA PHE 52 HA PHE 52 -1.679 2.887 -8.237 330 1HB PHE 52 1HB PHE 52 -0.128 1.649 -10.575 331 2HB PHE 52 2HB PHE 52 -1.079 3.138 -10.618 332 HD1 PHE 52 1HD PHE 52 -0.151 4.683 -8.398 333 HD2 PHE 52 2HD PHE 52 2.079 2.134 -10.955 334 HE1 PHE 52 1HE PHE 52 1.924 6.005 -7.906 335 HE2 PHE 52 2HE PHE 52 4.155 3.455 -10.462 336 HZ PHE 52 HZ PHE 52 4.052 5.376 -8.942 337 H SER 53 H SER 53 -3.370 1.465 -7.529 338 HA SER 53 HA SER 53 -4.313 -0.184 -9.688 339 1HB SER 53 1HB SER 53 -3.018 -1.329 -7.438 340 2HB SER 53 2HB SER 53 -4.748 -1.640 -7.211 341 HG SER 53 HG SER 53 -4.817 -2.795 -9.120 342 H SER 54 H SER 54 -5.957 1.466 -9.876 343 HA SER 54 HA SER 54 -7.343 2.723 -8.050 344 1HB SER 54 1HB SER 54 -9.197 2.838 -9.578 345 2HB SER 54 2HB SER 54 -7.720 2.746 -10.554 346 HG SER 54 HG SER 54 -8.187 0.639 -11.115 347 H VAL 55 H VAL 55 -9.321 2.392 -6.785 348 HA VAL 55 HA VAL 55 -10.293 -0.316 -6.548 349 HB VAL 55 HB VAL 55 -8.341 -0.328 -5.092 350 1HG1 VAL 55 1HG1 VAL 55 -9.338 2.308 -4.339 351 2HG1 VAL 55 2HG1 VAL 55 -8.998 1.290 -2.922 352 3HG1 VAL 55 3HG1 VAL 55 -7.723 1.593 -4.125 353 1HG2 VAL 55 1HG2 VAL 55 -10.657 -1.398 -4.502 354 2HG2 VAL 55 2HG2 VAL 55 -9.362 -1.357 -3.281 355 3HG2 VAL 55 3HG2 VAL 55 -10.687 -0.170 -3.213 356 H THR 56 H THR 56 -12.297 -0.396 -5.233 357 HA THR 56 HA THR 56 -13.444 2.176 -4.537 358 HB THR 56 HB THR 56 -13.843 1.049 -7.118 359 HG1 THR 56 1HG THR 56 -15.568 2.820 -6.946 360 1HG2 THR 56 1HG2 THR 56 -16.301 0.687 -7.119 361 2HG2 THR 56 2HG2 THR 56 -15.508 -0.541 -6.105 362 3HG2 THR 56 3HG2 THR 56 -16.335 0.841 -5.348 363 H ALA 57 H ALA 57 -14.901 2.058 -2.883 364 HA ALA 57 HA ALA 57 -15.354 -0.659 -1.873 365 1HB ALA 57 1HB ALA 57 -14.556 0.204 0.041 366 2HB ALA 57 2HB ALA 57 -14.472 1.830 -0.681 367 3HB ALA 57 3HB ALA 57 -15.973 1.278 0.099 368 H ASP 58 H ASP 58 -17.421 -1.439 -1.706 369 HA ASP 58 HA ASP 58 -19.433 -0.343 -3.122 370 1HB ASP 58 1HB ASP 58 -20.075 -1.832 -0.578 371 2HB ASP 58 2HB ASP 58 -20.815 -2.006 -2.177 372 HD2 ASP 58 HD2 ASP 58 -17.470 -3.726 -2.757 373 H ALA 59 H ALA 59 -21.582 0.597 -2.295 374 HA ALA 59 HA ALA 59 -21.326 2.949 -1.022 375 1HB ALA 59 1HB ALA 59 -23.791 2.665 -0.470 376 2HB ALA 59 2HB ALA 59 -23.352 2.346 -2.165 377 3HB ALA 59 3HB ALA 59 -23.649 0.989 -1.052 378 H ASN 60 H ASN 60 -21.382 -0.286 0.429 379 HA ASN 60 HA ASN 60 -21.734 0.812 3.052 380 1HB ASN 60 1HB ASN 60 -22.493 -1.546 2.059 381 2HB ASN 60 2HB ASN 60 -20.859 -2.043 2.521 382 1HD2 ASN 60 1HD2 ASN 60 -23.966 -1.978 3.474 383 2HD2 ASN 60 2HD2 ASN 60 -23.808 -1.973 5.197 384 H GLY 61 H GLY 61 -19.404 1.734 1.507 385 1HA GLY 61 1HA GLY 61 -17.150 1.882 1.561 386 2HA GLY 61 2HA GLY 61 -17.377 1.747 3.294 387 H SER 62 H SER 62 -17.946 -0.722 0.701 388 HA SER 62 HA SER 62 -16.086 -2.416 2.161 389 1HB SER 62 1HB SER 62 -17.839 -3.617 0.080 390 2HB SER 62 2HB SER 62 -17.436 -4.215 1.700 391 HG SER 62 HG SER 62 -18.978 -2.774 2.593 392 H ALA 63 H ALA 63 -14.085 -1.928 1.201 393 HA ALA 63 HA ALA 63 -13.990 -2.082 -1.729 394 1HB ALA 63 1HB ALA 63 -12.612 -0.482 0.351 395 2HB ALA 63 2HB ALA 63 -11.549 -1.124 -0.923 396 3HB ALA 63 3HB ALA 63 -12.940 -0.101 -1.356 397 H SER 64 H SER 64 -14.029 -4.393 -1.863 398 HA SER 64 HA SER 64 -11.893 -5.745 -0.463 399 1HB SER 64 1HB SER 64 -13.003 -7.791 -1.057 400 2HB SER 64 2HB SER 64 -14.261 -6.660 -0.525 401 HG SER 64 HG SER 64 -14.978 -6.427 -2.612 402 H THR 65 H THR 65 -10.175 -4.681 -1.770 403 HA THR 65 HA THR 65 -10.044 -5.735 -4.518 404 HB THR 65 HB THR 65 -10.024 -3.137 -3.811 405 HG1 THR 65 1HG THR 65 -8.539 -2.988 -5.745 406 1HG2 THR 65 1HG2 THR 65 -7.105 -4.047 -3.590 407 2HG2 THR 65 2HG2 THR 65 -7.630 -2.357 -3.776 408 3HG2 THR 65 3HG2 THR 65 -8.051 -3.265 -2.303 409 H SER 66 H SER 66 -8.462 -7.113 -5.113 410 HA SER 66 HA SER 66 -6.665 -7.879 -2.971 411 1HB SER 66 1HB SER 66 -6.462 -9.978 -4.034 412 2HB SER 66 2HB SER 66 -8.168 -9.550 -4.250 413 HG SER 66 HG SER 66 -6.014 -9.470 -6.166 414 H LEU 67 H LEU 67 -4.366 -7.950 -3.279 415 HA LEU 67 HA LEU 67 -3.320 -7.078 -5.829 416 1HB LEU 67 1HB LEU 67 -3.833 -5.217 -3.785 417 2HB LEU 67 2HB LEU 67 -2.077 -5.464 -3.809 418 HG LEU 67 HG LEU 67 -3.835 -4.597 -6.122 419 1HD1 LEU 67 1HD1 LEU 67 -3.036 -3.038 -4.089 420 2HD1 LEU 67 2HD1 LEU 67 -1.597 -2.919 -5.128 421 3HD1 LEU 67 3HD1 LEU 67 -3.192 -2.456 -5.765 422 1HD2 LEU 67 1HD2 LEU 67 -0.848 -5.105 -6.043 423 2HD2 LEU 67 2HD2 LEU 67 -2.068 -6.013 -6.968 424 3HD2 LEU 67 3HD2 LEU 67 -1.724 -4.315 -7.376 425 H THR 68 H THR 68 -0.755 -6.946 -5.549 426 HA THR 68 HA THR 68 -0.046 -9.345 -3.999 427 HB THR 68 HB THR 68 1.068 -8.065 -6.547 428 HG1 THR 68 1HG THR 68 -0.200 -10.569 -5.689 429 1HG2 THR 68 1HG2 THR 68 2.796 -9.681 -6.589 430 2HG2 THR 68 2HG2 THR 68 2.786 -9.223 -4.868 431 3HG2 THR 68 3HG2 THR 68 1.980 -10.720 -5.397 432 H VAL 69 H VAL 69 1.369 -9.250 -2.351 433 HA VAL 69 HA VAL 69 2.351 -6.611 -1.669 434 HB VAL 69 HB VAL 69 2.193 -9.272 -0.263 435 1HG1 VAL 69 1HG1 VAL 69 3.819 -6.852 0.436 436 2HG1 VAL 69 2HG1 VAL 69 3.018 -7.753 1.744 437 3HG1 VAL 69 3HG1 VAL 69 4.178 -8.578 0.675 438 1HG2 VAL 69 1HG2 VAL 69 1.058 -6.631 0.659 439 2HG2 VAL 69 2HG2 VAL 69 0.198 -7.640 -0.529 440 3HG2 VAL 69 3HG2 VAL 69 0.559 -8.284 1.090 441 H ARG 70 H ARG 70 3.956 -6.264 -3.292 442 HA ARG 70 HA ARG 70 6.081 -8.213 -3.350 443 1HB ARG 70 1HB ARG 70 5.097 -6.032 -5.124 444 2HB ARG 70 2HB ARG 70 6.859 -6.227 -5.103 445 1HG ARG 70 1HG ARG 70 6.419 -8.735 -5.484 446 2HG ARG 70 2HG ARG 70 4.741 -8.289 -5.844 447 1HD ARG 70 1HD ARG 70 5.758 -6.611 -7.543 448 2HD ARG 70 2HD ARG 70 7.275 -7.500 -7.336 449 HE ARG 70 HE ARG 70 4.877 -8.406 -8.745 450 1HH1 ARG 70 1HH1 ARG 70 7.792 -9.451 -7.075 451 2HH1 ARG 70 2HH1 ARG 70 7.853 -10.987 -7.874 452 1HH2 ARG 70 1HH2 ARG 70 4.957 -10.432 -9.800 453 2HH2 ARG 70 2HH2 ARG 70 6.232 -11.548 -9.435 454 H ARG 71 H ARG 71 6.742 -7.645 -1.073 455 HA ARG 71 HA ARG 71 7.343 -5.321 -0.042 456 1HB ARG 71 1HB ARG 71 7.999 -7.911 0.551 457 2HB ARG 71 2HB ARG 71 9.611 -7.262 0.201 458 1HG ARG 71 1HG ARG 71 9.625 -5.970 2.079 459 2HG ARG 71 2HG ARG 71 7.919 -5.519 1.917 460 1HD ARG 71 1HD ARG 71 8.510 -6.946 3.950 461 2HD ARG 71 2HD ARG 71 7.195 -7.578 2.947 462 HE ARG 71 HE ARG 71 8.661 -9.299 2.147 463 1HH1 ARG 71 1HH1 ARG 71 10.261 -7.134 4.414 464 2HH1 ARG 71 2HH1 ARG 71 11.598 -8.201 4.687 465 1HH2 ARG 71 1HH2 ARG 71 10.423 -10.707 2.508 466 2HH2 ARG 71 2HH2 ARG 71 11.691 -10.249 3.597 467 H SER 72 H SER 72 9.043 -6.863 -2.755 468 HA SER 72 HA SER 72 11.120 -4.859 -2.641 469 1HB SER 72 1HB SER 72 10.695 -7.368 -4.289 470 2HB SER 72 2HB SER 72 11.980 -6.210 -4.681 471 HG SER 72 HG SER 72 11.775 -7.114 -1.987 472 H PHE 73 H PHE 73 10.815 -2.941 -3.707 473 HA PHE 73 HA PHE 73 9.742 -2.958 -6.357 474 1HB PHE 73 1HB PHE 73 8.077 -1.053 -5.360 475 2HB PHE 73 2HB PHE 73 7.584 -2.751 -5.423 476 HD1 PHE 73 1HD PHE 73 6.358 -3.283 -3.552 477 HD2 PHE 73 2HD PHE 73 9.757 -0.785 -3.100 478 HE1 PHE 73 1HE PHE 73 6.009 -3.256 -1.066 479 HE2 PHE 73 2HE PHE 73 9.408 -0.758 -0.615 480 HZ PHE 73 HZ PHE 73 7.537 -1.995 0.374 481 H GLU 74 H GLU 74 9.829 -0.730 -7.344 482 HA GLU 74 HA GLU 74 12.139 0.598 -6.279 483 1HB GLU 74 1HB GLU 74 11.948 0.082 -8.696 484 2HB GLU 74 2HB GLU 74 10.531 1.140 -8.817 485 1HG GLU 74 1HG GLU 74 12.070 2.727 -9.376 486 2HG GLU 74 2HG GLU 74 12.349 2.829 -7.632 487 HE2 GLU 74 HE2 GLU 74 15.581 1.799 -8.086 488 H GLY 75 H GLY 75 11.514 1.771 -4.441 489 1HA GLY 75 1HA GLY 75 9.154 3.126 -4.034 490 2HA GLY 75 2HA GLY 75 10.697 3.533 -3.309 491 H PHE 76 H PHE 76 8.516 5.347 -4.236 492 HA PHE 76 HA PHE 76 10.161 6.927 -6.068 493 1HB PHE 76 1HB PHE 76 7.665 5.598 -6.581 494 2HB PHE 76 2HB PHE 76 7.261 7.308 -6.397 495 HD1 PHE 76 1HD PHE 76 8.339 8.974 -7.916 496 HD2 PHE 76 2HD PHE 76 8.747 4.794 -8.517 497 HE1 PHE 76 1HE PHE 76 9.066 9.386 -10.284 498 HE2 PHE 76 2HE PHE 76 9.474 5.204 -10.883 499 HZ PHE 76 HZ PHE 76 9.625 7.495 -11.739 500 H LEU 77 H LEU 77 10.782 8.619 -4.785 501 HA LEU 77 HA LEU 77 9.519 9.494 -2.527 502 1HB LEU 77 1HB LEU 77 11.062 11.229 -4.442 503 2HB LEU 77 2HB LEU 77 10.866 11.454 -2.696 504 HG LEU 77 HG LEU 77 12.012 8.916 -2.971 505 1HD1 LEU 77 1HD1 LEU 77 14.149 9.727 -4.282 506 2HD1 LEU 77 2HD1 LEU 77 12.762 9.008 -5.134 507 3HD1 LEU 77 3HD1 LEU 77 12.971 10.777 -5.109 508 1HD2 LEU 77 1HD2 LEU 77 13.120 11.622 -2.214 509 2HD2 LEU 77 2HD2 LEU 77 12.571 10.301 -1.152 510 3HD2 LEU 77 3HD2 LEU 77 14.073 10.124 -2.091 511 H PHE 78 H PHE 78 8.025 11.160 -2.017 512 HA PHE 78 HA PHE 78 5.947 11.422 -3.914 513 1HB PHE 78 1HB PHE 78 4.893 12.615 -2.076 514 2HB PHE 78 2HB PHE 78 5.899 11.381 -1.313 515 HD1 PHE 78 1HD PHE 78 7.718 11.992 0.092 516 HD2 PHE 78 2HD PHE 78 5.655 14.975 -2.114 517 HE1 PHE 78 1HE PHE 78 8.870 13.778 1.427 518 HE2 PHE 78 2HE PHE 78 6.809 16.759 -0.778 519 HZ PHE 78 HZ PHE 78 8.403 16.141 0.976 520 H ASP 79 H ASP 79 8.815 13.310 -3.102 521 HA ASP 79 HA ASP 79 7.969 15.802 -3.846 522 1HB ASP 79 1HB ASP 79 10.355 14.599 -3.087 523 2HB ASP 79 2HB ASP 79 10.708 15.108 -4.746 524 HD2 ASP 79 HD2 ASP 79 11.323 17.738 -2.161 525 H GLY 80 H GLY 80 8.846 12.913 -5.730 526 1HA GLY 80 1HA GLY 80 7.722 12.961 -7.968 527 2HA GLY 80 2HA GLY 80 8.595 14.455 -8.242 528 H THR 81 H THR 81 10.780 12.947 -6.371 529 HA THR 81 HA THR 81 12.199 11.888 -8.683 530 HB THR 81 HB THR 81 12.964 12.639 -5.817 531 HG1 THR 81 1HG THR 81 12.685 14.392 -7.316 532 1HG2 THR 81 1HG2 THR 81 14.681 11.101 -6.205 533 2HG2 THR 81 2HG2 THR 81 14.473 11.168 -7.972 534 3HG2 THR 81 3HG2 THR 81 15.332 12.477 -7.126 535 H ARG 82 H ARG 82 13.049 9.796 -8.844 536 HA ARG 82 HA ARG 82 11.501 7.922 -7.299 537 1HB ARG 82 1HB ARG 82 11.493 7.587 -9.709 538 2HB ARG 82 2HB ARG 82 13.263 7.610 -9.777 539 1HG ARG 82 1HG ARG 82 12.673 5.614 -7.901 540 2HG ARG 82 2HG ARG 82 11.431 5.396 -9.145 541 1HD ARG 82 1HD ARG 82 13.021 4.225 -10.267 542 2HD ARG 82 2HD ARG 82 13.738 5.796 -10.654 543 HE ARG 82 HE ARG 82 14.684 5.053 -8.090 544 1HH1 ARG 82 1HH1 ARG 82 14.912 3.879 -11.399 545 2HH1 ARG 82 2HH1 ARG 82 16.466 3.149 -11.168 546 1HH2 ARG 82 1HH2 ARG 82 16.735 4.091 -7.786 547 2HH2 ARG 82 2HH2 ARG 82 17.511 3.271 -9.099 548 H TRP 83 H TRP 83 12.426 6.427 -5.844 549 HA TRP 83 HA TRP 83 15.280 6.841 -5.322 550 1HB TRP 83 1HB TRP 83 13.887 7.388 -3.461 551 2HB TRP 83 2HB TRP 83 13.029 5.851 -3.572 552 HD1 TRP 83 HD TRP 83 14.095 3.833 -2.224 553 HE1 TRP 83 1HE TRP 83 16.218 3.422 -0.712 554 HE3 TRP 83 3HE TRP 83 16.397 8.224 -3.350 555 HZ2 TRP 83 2HZ TRP 83 18.570 4.943 -0.170 556 HZ3 TRP 83 3HZ TRP 83 18.603 8.684 -2.285 557 HH2 TRP 83 HH TRP 83 19.690 7.128 -0.744 558 H GLY 84 H GLY 84 13.262 4.059 -4.321 559 1HA GLY 84 1HA GLY 84 13.408 2.161 -6.103 560 2HA GLY 84 2HA GLY 84 15.118 2.282 -5.742 561 H THR 85 H THR 85 15.854 1.938 -3.475 562 HA THR 85 HA THR 85 15.882 0.812 -1.556 563 HB THR 85 HB THR 85 12.910 1.437 -1.806 564 HG1 THR 85 1HG THR 85 15.019 2.116 0.110 565 1HG2 THR 85 1HG2 THR 85 14.291 -0.393 0.117 566 2HG2 THR 85 2HG2 THR 85 13.320 0.897 0.865 567 3HG2 THR 85 3HG2 THR 85 12.557 -0.250 -0.260 568 H VAL 86 H VAL 86 13.066 -0.429 -3.484 569 HA VAL 86 HA VAL 86 12.657 -2.454 -4.278 570 HB VAL 86 HB VAL 86 15.538 -2.998 -3.534 571 1HG1 VAL 86 1HG1 VAL 86 14.646 -4.700 -5.635 572 2HG1 VAL 86 2HG1 VAL 86 15.193 -5.149 -4.002 573 3HG1 VAL 86 3HG1 VAL 86 13.470 -4.829 -4.305 574 1HG2 VAL 86 1HG2 VAL 86 15.058 -1.201 -5.256 575 2HG2 VAL 86 2HG2 VAL 86 16.076 -2.553 -5.812 576 3HG2 VAL 86 3HG2 VAL 86 14.360 -2.483 -6.278 577 H ASP 87 H ASP 87 14.845 -4.214 -2.215 578 HA ASP 87 HA ASP 87 12.921 -5.669 -1.023 579 1HB ASP 87 1HB ASP 87 15.696 -5.449 -0.883 580 2HB ASP 87 2HB ASP 87 15.200 -5.109 0.781 581 HD2 ASP 87 HD2 ASP 87 15.664 -8.636 0.643 582 H CYS 88 H CYS 88 11.208 -4.898 0.230 583 HA CYS 88 HA CYS 88 11.620 -2.505 1.797 584 1HB CYS 88 1HB CYS 88 9.629 -2.603 0.472 585 2HB CYS 88 2HB CYS 88 9.159 -4.148 1.184 586 H THR 89 H THR 89 13.231 -4.628 2.687 587 HA THR 89 HA THR 89 11.800 -5.952 4.844 588 HB THR 89 HB THR 89 13.924 -7.204 5.051 589 HG1 THR 89 1HG THR 89 15.680 -5.998 4.460 590 1HG2 THR 89 1HG2 THR 89 12.857 -6.703 2.257 591 2HG2 THR 89 2HG2 THR 89 14.348 -7.656 2.452 592 3HG2 THR 89 3HG2 THR 89 12.834 -8.207 3.209 593 H THR 90 H THR 90 13.711 -3.087 4.279 594 HA THR 90 HA THR 90 14.409 -2.864 7.095 595 HB THR 90 HB THR 90 14.989 -1.268 4.556 596 HG1 THR 90 1HG THR 90 16.987 -2.293 4.923 597 1HG2 THR 90 1HG2 THR 90 15.565 0.528 5.843 598 2HG2 THR 90 2HG2 THR 90 15.044 -0.329 7.314 599 3HG2 THR 90 3HG2 THR 90 16.711 -0.518 6.718 600 H ALA 91 H ALA 91 12.540 -0.942 4.647 601 HA ALA 91 HA ALA 91 11.265 0.452 6.856 602 1HB ALA 91 1HB ALA 91 10.494 0.961 4.020 603 2HB ALA 91 2HB ALA 91 10.859 2.109 5.330 604 3HB ALA 91 3HB ALA 91 12.185 1.310 4.452 605 H ALA 92 H ALA 92 8.894 0.595 6.994 606 HA ALA 92 HA ALA 92 7.716 -1.982 6.350 607 1HB ALA 92 1HB ALA 92 7.669 -0.695 8.639 608 2HB ALA 92 2HB ALA 92 6.363 0.243 7.876 609 3HB ALA 92 3HB ALA 92 6.199 -1.520 8.068 610 H CYS 93 H CYS 93 6.325 -2.294 4.675 611 HA CYS 93 HA CYS 93 5.632 0.049 3.123 612 1HB CYS 93 1HB CYS 93 4.598 -2.359 2.003 613 2HB CYS 93 2HB CYS 93 5.856 -1.287 1.380 614 H GLN 94 H GLN 94 3.647 1.018 3.367 615 HA GLN 94 HA GLN 94 1.656 -0.487 4.844 616 1HB GLN 94 1HB GLN 94 2.008 2.471 4.263 617 2HB GLN 94 2HB GLN 94 0.544 1.821 5.024 618 1HG GLN 94 1HG GLN 94 1.623 1.369 7.005 619 2HG GLN 94 2HG GLN 94 3.157 0.974 6.217 620 1HE2 GLN 94 1HE2 GLN 94 1.376 3.243 7.948 621 2HE2 GLN 94 2HE2 GLN 94 2.416 4.620 7.803 622 H VAL 95 H VAL 95 0.141 -1.555 3.655 623 HA VAL 95 HA VAL 95 -0.343 -0.685 0.936 624 HB VAL 95 HB VAL 95 -1.659 -2.993 2.342 625 1HG1 VAL 95 1HG1 VAL 95 -1.928 -2.016 -0.195 626 2HG1 VAL 95 2HG1 VAL 95 -0.655 -3.240 -0.427 627 3HG1 VAL 95 3HG1 VAL 95 -2.222 -3.708 0.278 628 1HG2 VAL 95 1HG2 VAL 95 0.337 -3.890 2.807 629 2HG2 VAL 95 2HG2 VAL 95 0.569 -4.055 1.050 630 3HG2 VAL 95 3HG2 VAL 95 1.202 -2.626 1.900 631 H GLY 96 H GLY 96 -1.817 0.885 0.556 632 1HA GLY 96 1HA GLY 96 -4.448 0.670 1.720 633 2HA GLY 96 2HA GLY 96 -3.529 2.043 2.300 634 H LEU 97 H LEU 97 -5.740 2.777 1.003 635 HA LEU 97 HA LEU 97 -4.928 3.281 -1.770 636 1HB LEU 97 1HB LEU 97 -7.116 3.335 -2.378 637 2HB LEU 97 2HB LEU 97 -7.121 2.080 -1.128 638 HG LEU 97 HG LEU 97 -7.976 4.963 -0.743 639 1HD1 LEU 97 1HD1 LEU 97 -9.354 3.053 -2.135 640 2HD1 LEU 97 2HD1 LEU 97 -9.997 2.842 -0.490 641 3HD1 LEU 97 3HD1 LEU 97 -10.084 4.434 -1.283 642 1HD2 LEU 97 1HD2 LEU 97 -7.826 2.598 1.112 643 2HD2 LEU 97 2HD2 LEU 97 -7.271 4.271 1.360 644 3HD2 LEU 97 3HD2 LEU 97 -9.012 3.898 1.375 645 H SER 98 H SER 98 -4.576 5.356 -2.487 646 HA SER 98 HA SER 98 -4.427 7.323 -0.408 647 1HB SER 98 1HB SER 98 -3.183 8.644 -2.000 648 2HB SER 98 2HB SER 98 -2.599 6.974 -2.115 649 HG SER 98 HG SER 98 -4.592 8.141 -3.864 650 H ASP 99 H ASP 99 -5.720 9.189 -0.249 651 HA ASP 99 HA ASP 99 -8.224 9.038 -1.481 652 1HB ASP 99 1HB ASP 99 -7.232 11.635 -0.344 653 2HB ASP 99 2HB ASP 99 -8.791 10.831 -0.098 654 HD2 ASP 99 HD2 ASP 99 -5.805 9.455 2.150 655 H ALA 100 H ALA 100 -9.176 10.924 -2.818 656 HA ALA 100 HA ALA 100 -7.315 11.588 -4.920 657 1HB ALA 100 1HB ALA 100 -10.301 11.821 -4.479 658 2HB ALA 100 2HB ALA 100 -9.509 12.638 -5.847 659 3HB ALA 100 3HB ALA 100 -9.420 10.869 -5.697 660 H ALA 101 H ALA 101 -7.886 12.846 -1.908 661 HA ALA 101 HA ALA 101 -7.783 15.627 -2.805 662 1HB ALA 101 1HB ALA 101 -9.489 15.156 -1.156 663 2HB ALA 101 2HB ALA 101 -8.317 14.319 -0.111 664 3HB ALA 101 3HB ALA 101 -8.194 16.077 -0.357 665 H GLY 102 H GLY 102 -5.780 12.994 -1.933 666 1HA GLY 102 1HA GLY 102 -3.542 12.885 -1.677 667 2HA GLY 102 2HA GLY 102 -3.439 14.611 -1.964 668 H ASN 103 H ASN 103 -5.043 12.576 0.595 669 HA ASN 103 HA ASN 103 -3.569 14.196 2.525 670 1HB ASN 103 1HB ASN 103 -6.338 12.927 2.799 671 2HB ASN 103 2HB ASN 103 -5.514 13.829 4.080 672 1HD2 ASN 103 1HD2 ASN 103 -7.970 14.093 2.154 673 2HD2 ASN 103 2HD2 ASN 103 -7.933 15.756 1.668 674 H GLY 104 H GLY 104 -2.688 13.010 4.356 675 1HA GLY 104 1HA GLY 104 -1.585 10.604 4.066 676 2HA GLY 104 2HA GLY 104 -2.149 11.193 5.617 677 HA PRO 105 HA PRO 105 -5.274 8.114 3.749 678 1HB PRO 105 1HB PRO 105 -4.195 6.181 2.149 679 2HB PRO 105 2HB PRO 105 -5.013 7.609 1.519 680 1HG PRO 105 1HG PRO 105 -2.133 6.991 1.690 681 2HG PRO 105 2HG PRO 105 -2.963 8.192 0.635 682 1HD PRO 105 1HD PRO 105 -1.420 8.666 3.000 683 2HD PRO 105 2HD PRO 105 -2.351 9.863 2.090 684 H GLU 106 H GLU 106 -5.825 5.794 4.269 685 HA GLU 106 HA GLU 106 -4.193 5.182 6.558 686 1HB GLU 106 1HB GLU 106 -6.966 4.754 5.731 687 2HB GLU 106 2HB GLU 106 -6.251 3.280 6.410 688 1HG GLU 106 1HG GLU 106 -7.176 4.446 8.268 689 2HG GLU 106 2HG GLU 106 -5.438 4.772 8.357 690 HE2 GLU 106 HE2 GLU 106 -6.366 8.018 6.774 691 H GLY 107 H GLY 107 -2.401 3.936 6.199 692 1HA GLY 107 1HA GLY 107 -2.662 1.726 4.249 693 2HA GLY 107 2HA GLY 107 -1.187 2.626 4.547 694 H VAL 108 H VAL 108 -2.081 -0.341 4.907 695 HA VAL 108 HA VAL 108 -1.500 -0.602 7.764 696 HB VAL 108 HB VAL 108 -3.514 -1.685 6.883 697 1HG1 VAL 108 1HG1 VAL 108 -1.851 -2.356 4.699 698 2HG1 VAL 108 2HG1 VAL 108 -2.293 -3.891 5.483 699 3HG1 VAL 108 3HG1 VAL 108 -3.565 -2.770 4.937 700 1HG2 VAL 108 1HG2 VAL 108 -1.791 -2.691 8.675 701 2HG2 VAL 108 2HG2 VAL 108 -3.291 -3.528 8.208 702 3HG2 VAL 108 3HG2 VAL 108 -1.741 -4.007 7.476 703 H ALA 109 H ALA 109 0.524 -1.115 8.413 704 HA ALA 109 HA ALA 109 2.562 -1.514 6.492 705 1HB ALA 109 1HB ALA 109 4.002 -1.362 8.320 706 2HB ALA 109 2HB ALA 109 2.576 -0.473 8.912 707 3HB ALA 109 3HB ALA 109 2.855 -2.156 9.424 708 H ILE 110 H ILE 110 1.983 -3.355 5.232 709 HA ILE 110 HA ILE 110 1.817 -5.871 6.711 710 HB ILE 110 HB ILE 110 0.273 -4.891 4.710 711 1HG1 ILE 110 1HG1 ILE 110 -0.265 -7.428 4.355 712 2HG1 ILE 110 2HG1 ILE 110 0.848 -7.657 5.714 713 1HG2 ILE 110 1HG2 ILE 110 2.294 -6.723 3.390 714 2HG2 ILE 110 2HG2 ILE 110 0.765 -6.166 2.669 715 3HG2 ILE 110 3HG2 ILE 110 2.049 -4.994 3.050 716 1HD1 ILE 110 1HD1 ILE 110 -1.420 -5.639 5.831 717 2HD1 ILE 110 2HD1 ILE 110 -1.673 -7.349 6.252 718 3HD1 ILE 110 3HD1 ILE 110 -0.518 -6.365 7.180 719 H SER 111 H SER 111 3.332 -7.515 6.474 720 HA SER 111 HA SER 111 5.058 -8.023 4.594 721 1HB SER 111 1HB SER 111 6.301 -6.156 4.270 722 2HB SER 111 2HB SER 111 5.855 -5.459 5.838 723 HG SER 111 HG SER 111 7.997 -5.886 6.099 724 H PHE 112 H PHE 112 5.419 -6.967 8.061 725 HA PHE 112 HA PHE 112 5.535 -9.630 8.977 726 1HB PHE 112 1HB PHE 112 7.878 -9.813 9.408 727 2HB PHE 112 2HB PHE 112 7.860 -9.037 7.821 728 HD1 PHE 112 1HD PHE 112 7.270 -6.255 8.488 729 HD2 PHE 112 2HD PHE 112 9.763 -9.045 10.491 730 HE1 PHE 112 1HE PHE 112 8.639 -4.366 9.415 731 HE2 PHE 112 2HE PHE 112 11.131 -7.156 11.419 732 HZ PHE 112 HZ PHE 112 10.553 -4.840 10.871 733 H ASN 113 H ASN 113 5.776 -9.735 11.352 734 HA ASN 113 HA ASN 113 4.798 -7.289 12.491 735 1HB ASN 113 1HB ASN 113 4.728 -10.166 13.123 736 2HB ASN 113 2HB ASN 113 5.080 -9.194 14.558 737 1HD2 ASN 113 1HD2 ASN 113 3.167 -9.455 15.571 738 2HD2 ASN 113 2HD2 ASN 113 1.650 -8.843 15.002 739 6H NCZ 130 6H NCZ 130 0.610 13.943 -0.374 740 6H1 NCZ 130 6H1 NCZ 130 -0.842 11.429 -0.131 741 5H1 NCZ 130 5H1 NCZ 130 -0.623 12.800 2.120 742 4H1 NCZ 130 4H1 NCZ 130 2.037 12.496 2.775 743 5H NCZ 130 5H NCZ 130 3.703 12.227 -0.443 744 3H1 NCZ 130 3H1 NCZ 130 2.871 10.814 1.218 745 2H1 NCZ 130 2H1 NCZ 130 1.841 11.439 -1.024 746 2H NCZ 130 2H NCZ 130 -0.008 8.396 -3.879 747 8H NCZ 130 8H NCZ 130 -0.999 5.365 -3.482 748 7H NCZ 130 7H NCZ 130 -1.642 4.283 -1.355 749 3H NCZ 130 3H NCZ 130 -0.626 5.053 3.171 750 1H17 NCZ 130 1H17 NCZ 130 1.698 8.512 4.839 751 2H17 NCZ 130 2H17 NCZ 130 2.256 8.658 3.155 752 3H17 NCZ 130 3H17 NCZ 130 0.607 9.162 3.595 753 1H18 NCZ 130 1H18 NCZ 130 -1.627 3.287 0.177 754 2H18 NCZ 130 2H18 NCZ 130 -1.421 3.229 1.944 755 3H18 NCZ 130 3H18 NCZ 130 -2.754 4.172 1.234 756 1H NCZ 130 1H NCZ 130 1.413 8.164 1.135 Start of MODEL 8 1 H ALA 1 H ALA 1 -10.145 -4.663 14.063 2 HA ALA 1 HA ALA 1 -9.751 -7.490 13.528 3 1HB ALA 1 1HB ALA 1 -11.968 -5.687 14.311 4 2HB ALA 1 2HB ALA 1 -12.421 -6.976 13.170 5 3HB ALA 1 3HB ALA 1 -11.676 -7.392 14.732 6 H ALA 2 H ALA 2 -11.225 -4.582 11.919 7 HA ALA 2 HA ALA 2 -10.138 -5.445 9.404 8 1HB ALA 2 1HB ALA 2 -12.045 -6.818 9.241 9 2HB ALA 2 2HB ALA 2 -13.090 -5.621 10.043 10 3HB ALA 2 3HB ALA 2 -12.524 -5.334 8.381 11 HA PRO 3 HA PRO 3 -10.671 -0.981 10.129 12 1HB PRO 3 1HB PRO 3 -8.036 -0.266 10.115 13 2HB PRO 3 2HB PRO 3 -8.942 -0.573 11.595 14 1HG PRO 3 1HG PRO 3 -6.964 -2.256 10.198 15 2HG PRO 3 2HG PRO 3 -7.509 -2.351 11.912 16 1HD PRO 3 1HD PRO 3 -8.209 -4.061 9.723 17 2HD PRO 3 2HD PRO 3 -8.896 -4.098 11.354 18 H THR 4 H THR 4 -11.650 -0.415 8.268 19 HA THR 4 HA THR 4 -11.838 -0.089 6.054 20 HB THR 4 HB THR 4 -10.244 1.633 5.272 21 HG1 THR 4 1HG THR 4 -8.249 1.820 6.477 22 1HG2 THR 4 1HG2 THR 4 -10.090 2.192 8.209 23 2HG2 THR 4 2HG2 THR 4 -10.699 3.226 6.893 24 3HG2 THR 4 3HG2 THR 4 -11.730 1.940 7.565 25 H ALA 5 H ALA 5 -9.243 0.247 4.351 26 HA ALA 5 HA ALA 5 -9.331 -2.428 3.364 27 1HB ALA 5 1HB ALA 5 -7.954 0.154 2.631 28 2HB ALA 5 2HB ALA 5 -7.437 -1.371 1.874 29 3HB ALA 5 3HB ALA 5 -9.118 -0.812 1.694 30 H THR 6 H THR 6 -8.203 -4.111 4.186 31 HA THR 6 HA THR 6 -5.484 -3.590 5.130 32 HB THR 6 HB THR 6 -6.244 -5.266 7.078 33 HG1 THR 6 1HG THR 6 -8.624 -3.723 6.329 34 1HG2 THR 6 1HG2 THR 6 -6.576 -2.282 6.837 35 2HG2 THR 6 2HG2 THR 6 -7.377 -3.074 8.215 36 3HG2 THR 6 3HG2 THR 6 -5.615 -3.218 8.007 37 H VAL 7 H VAL 7 -4.052 -5.334 4.921 38 HA VAL 7 HA VAL 7 -4.966 -7.264 2.967 39 HB VAL 7 HB VAL 7 -2.356 -6.255 4.002 40 1HG1 VAL 7 1HG1 VAL 7 -2.865 -9.051 3.318 41 2HG1 VAL 7 2HG1 VAL 7 -1.627 -8.310 2.275 42 3HG1 VAL 7 3HG1 VAL 7 -1.427 -8.292 4.043 43 1HG2 VAL 7 1HG2 VAL 7 -3.094 -5.136 2.073 44 2HG2 VAL 7 2HG2 VAL 7 -1.920 -6.326 1.460 45 3HG2 VAL 7 3HG2 VAL 7 -3.665 -6.637 1.307 46 H THR 8 H THR 8 -5.788 -9.199 3.553 47 HA THR 8 HA THR 8 -5.950 -10.072 6.173 48 HB THR 8 HB THR 8 -6.347 -11.206 3.412 49 HG1 THR 8 1HG THR 8 -7.814 -11.195 5.954 50 1HG2 THR 8 1HG2 THR 8 -6.670 -12.917 5.920 51 2HG2 THR 8 2HG2 THR 8 -6.860 -13.418 4.222 52 3HG2 THR 8 3HG2 THR 8 -5.240 -13.059 4.869 53 HA PRO 9 HA PRO 9 -2.261 -12.859 5.594 54 1HB PRO 9 1HB PRO 9 -1.081 -13.215 3.157 55 2HB PRO 9 2HB PRO 9 -2.340 -14.277 3.783 56 1HG PRO 9 1HG PRO 9 -2.493 -12.151 1.743 57 2HG PRO 9 2HG PRO 9 -3.626 -13.522 2.022 58 1HD PRO 9 1HD PRO 9 -3.972 -10.762 2.698 59 2HD PRO 9 2HD PRO 9 -5.045 -12.097 3.137 60 H SER 10 H SER 10 -2.078 -10.387 6.438 61 HA SER 10 HA SER 10 0.171 -9.201 5.103 62 1HB SER 10 1HB SER 10 -0.149 -7.352 6.695 63 2HB SER 10 2HB SER 10 -1.685 -7.776 5.914 64 HG SER 10 HG SER 10 -1.249 -9.209 8.259 65 H SER 11 H SER 11 0.376 -11.866 6.525 66 HA SER 11 HA SER 11 2.319 -11.053 8.543 67 1HB SER 11 1HB SER 11 0.101 -12.688 8.867 68 2HB SER 11 2HB SER 11 1.412 -13.861 8.651 69 HG SER 11 HG SER 11 0.799 -12.289 10.826 70 H GLY 12 H GLY 12 4.443 -11.611 8.142 71 1HA GLY 12 1HA GLY 12 6.215 -12.349 6.957 72 2HA GLY 12 2HA GLY 12 5.443 -13.917 7.113 73 H LEU 13 H LEU 13 4.551 -10.929 5.237 74 HA LEU 13 HA LEU 13 3.661 -12.408 3.030 75 1HB LEU 13 1HB LEU 13 4.516 -9.523 3.233 76 2HB LEU 13 2HB LEU 13 3.581 -10.237 1.904 77 HG LEU 13 HG LEU 13 2.093 -10.872 4.154 78 1HD1 LEU 13 1HD1 LEU 13 3.696 -8.464 4.704 79 2HD1 LEU 13 2HD1 LEU 13 1.943 -8.263 4.945 80 3HD1 LEU 13 3HD1 LEU 13 2.819 -9.549 5.812 81 1HD2 LEU 13 1HD2 LEU 13 1.483 -9.950 1.816 82 2HD2 LEU 13 2HD2 LEU 13 0.436 -9.554 3.199 83 3HD2 LEU 13 3HD2 LEU 13 1.596 -8.350 2.589 84 H SER 14 H SER 14 4.654 -11.897 0.722 85 HA SER 14 HA SER 14 7.543 -12.016 0.903 86 1HB SER 14 1HB SER 14 6.267 -14.343 0.733 87 2HB SER 14 2HB SER 14 6.168 -13.921 -0.985 88 HG SER 14 HG SER 14 8.240 -15.006 0.340 89 H ASP 15 H ASP 15 8.611 -11.492 -1.196 90 HA ASP 15 HA ASP 15 7.447 -9.356 -2.428 91 1HB ASP 15 1HB ASP 15 9.171 -10.003 -4.325 92 2HB ASP 15 2HB ASP 15 9.758 -9.487 -2.736 93 HD2 ASP 15 HD2 ASP 15 10.852 -12.757 -2.006 94 H GLY 16 H GLY 16 5.264 -9.945 -3.123 95 1HA GLY 16 1HA GLY 16 4.192 -10.277 -5.257 96 2HA GLY 16 2HA GLY 16 5.215 -11.674 -5.523 97 H THR 17 H THR 17 3.607 -10.769 -2.425 98 HA THR 17 HA THR 17 2.282 -13.372 -2.464 99 HB THR 17 HB THR 17 3.143 -11.341 -0.394 100 HG1 THR 17 1HG THR 17 4.208 -13.443 -1.236 101 1HG2 THR 17 1HG2 THR 17 1.895 -12.966 1.249 102 2HG2 THR 17 2HG2 THR 17 0.938 -11.685 0.467 103 3HG2 THR 17 3HG2 THR 17 0.869 -13.351 -0.152 104 H VAL 18 H VAL 18 0.228 -13.624 -3.053 105 HA VAL 18 HA VAL 18 -1.337 -11.318 -3.658 106 HB VAL 18 HB VAL 18 -2.422 -14.105 -3.513 107 1HG1 VAL 18 1HG1 VAL 18 -2.771 -11.753 -5.397 108 2HG1 VAL 18 2HG1 VAL 18 -3.483 -13.362 -5.670 109 3HG1 VAL 18 3HG1 VAL 18 -3.956 -12.411 -4.244 110 1HG2 VAL 18 1HG2 VAL 18 -1.387 -14.092 -6.019 111 2HG2 VAL 18 2HG2 VAL 18 -0.109 -13.217 -5.142 112 3HG2 VAL 18 3HG2 VAL 18 -0.590 -14.848 -4.618 113 H VAL 19 H VAL 19 -2.380 -10.116 -2.166 114 HA VAL 19 HA VAL 19 -3.466 -11.560 0.154 115 HB VAL 19 HB VAL 19 -3.079 -9.492 1.436 116 1HG1 VAL 19 1HG1 VAL 19 -0.350 -9.747 0.896 117 2HG1 VAL 19 2HG1 VAL 19 -1.300 -10.684 2.073 118 3HG1 VAL 19 3HG1 VAL 19 -1.046 -11.316 0.428 119 1HG2 VAL 19 1HG2 VAL 19 -1.818 -8.574 -1.152 120 2HG2 VAL 19 2HG2 VAL 19 -3.041 -7.755 -0.152 121 3HG2 VAL 19 3HG2 VAL 19 -1.359 -7.873 0.421 122 H LYS 20 H LYS 20 -5.440 -10.522 1.096 123 HA LYS 20 HA LYS 20 -7.005 -9.319 -1.077 124 1HB LYS 20 1HB LYS 20 -7.622 -11.595 -0.094 125 2HB LYS 20 2HB LYS 20 -8.127 -10.712 1.358 126 1HG LYS 20 1HG LYS 20 -9.410 -9.216 -0.450 127 2HG LYS 20 2HG LYS 20 -9.306 -10.696 -1.418 128 1HD LYS 20 1HD LYS 20 -10.104 -11.566 1.134 129 2HD LYS 20 2HD LYS 20 -11.022 -10.072 0.882 130 1HE LYS 20 1HE LYS 20 -12.253 -10.971 -0.840 131 2HE LYS 20 2HE LYS 20 -10.907 -11.951 -1.445 132 1HZ LYS 20 1HZ LYS 20 -12.983 -12.675 0.298 133 2HZ LYS 20 2HZ LYS 20 -11.867 -13.628 -0.419 134 3HZ LYS 20 3HZ LYS 20 -11.544 -12.937 1.025 135 H VAL 21 H VAL 21 -7.240 -7.160 -0.921 136 HA VAL 21 HA VAL 21 -6.907 -5.930 1.684 137 HB VAL 21 HB VAL 21 -7.435 -4.545 -0.935 138 1HG1 VAL 21 1HG1 VAL 21 -5.535 -3.554 1.150 139 2HG1 VAL 21 2HG1 VAL 21 -6.622 -2.652 0.066 140 3HG1 VAL 21 3HG1 VAL 21 -7.278 -3.476 1.502 141 1HG2 VAL 21 1HG2 VAL 21 -5.178 -6.252 -0.295 142 2HG2 VAL 21 2HG2 VAL 21 -5.564 -5.400 -1.809 143 3HG2 VAL 21 3HG2 VAL 21 -4.652 -4.567 -0.526 144 H ALA 22 H ALA 22 -8.771 -6.409 2.867 145 HA ALA 22 HA ALA 22 -11.335 -5.889 1.614 146 1HB ALA 22 1HB ALA 22 -10.655 -6.838 4.426 147 2HB ALA 22 2HB ALA 22 -12.244 -6.908 3.626 148 3HB ALA 22 3HB ALA 22 -10.904 -7.914 3.029 149 H GLY 23 H GLY 23 -12.201 -3.881 1.631 150 1HA GLY 23 1HA GLY 23 -11.199 -1.956 3.607 151 2HA GLY 23 2HA GLY 23 -12.036 -1.598 2.111 152 H ALA 24 H ALA 24 -12.364 -2.369 5.521 153 HA ALA 24 HA ALA 24 -15.262 -2.576 5.280 154 1HB ALA 24 1HB ALA 24 -15.213 -3.547 7.395 155 2HB ALA 24 2HB ALA 24 -13.643 -4.066 6.732 156 3HB ALA 24 3HB ALA 24 -13.722 -2.697 7.867 157 H GLY 25 H GLY 25 -16.067 -0.527 4.865 158 1HA GLY 25 1HA GLY 25 -16.935 1.433 5.705 159 2HA GLY 25 2HA GLY 25 -15.790 1.399 7.031 160 H LEU 26 H LEU 26 -14.880 0.929 3.592 161 HA LEU 26 HA LEU 26 -13.216 3.311 3.825 162 1HB LEU 26 1HB LEU 26 -12.614 0.827 3.022 163 2HB LEU 26 2HB LEU 26 -13.046 1.541 1.459 164 HG LEU 26 HG LEU 26 -10.828 2.314 3.354 165 1HD1 LEU 26 1HD1 LEU 26 -10.762 0.520 1.389 166 2HD1 LEU 26 2HD1 LEU 26 -10.471 1.979 0.413 167 3HD1 LEU 26 3HD1 LEU 26 -9.379 1.579 1.760 168 1HD2 LEU 26 1HD2 LEU 26 -10.515 4.372 2.418 169 2HD2 LEU 26 2HD2 LEU 26 -11.307 3.929 0.888 170 3HD2 LEU 26 3HD2 LEU 26 -12.290 4.274 2.331 171 H GLN 27 H GLN 27 -13.218 3.224 0.702 172 HA GLN 27 HA GLN 27 -14.778 5.394 0.309 173 1HB GLN 27 1HB GLN 27 -14.064 3.206 -1.679 174 2HB GLN 27 2HB GLN 27 -14.657 4.814 -2.131 175 1HG GLN 27 1HG GLN 27 -12.575 5.658 -1.948 176 2HG GLN 27 2HG GLN 27 -12.453 5.101 -0.272 177 1HE2 GLN 27 1HE2 GLN 27 -12.919 3.212 -3.228 178 2HE2 GLN 27 2HE2 GLN 27 -11.445 2.306 -3.157 179 H ALA 28 H ALA 28 -16.856 5.266 1.272 180 HA ALA 28 HA ALA 28 -18.606 3.134 0.965 181 1HB ALA 28 1HB ALA 28 -19.936 4.431 2.267 182 2HB ALA 28 2HB ALA 28 -18.532 5.522 2.345 183 3HB ALA 28 3HB ALA 28 -19.825 5.819 1.159 184 H GLY 29 H GLY 29 -18.168 2.594 -1.360 185 1HA GLY 29 1HA GLY 29 -19.252 2.371 -3.363 186 2HA GLY 29 2HA GLY 29 -20.230 3.783 -3.016 187 H THR 30 H THR 30 -17.024 4.583 -2.272 188 HA THR 30 HA THR 30 -16.775 6.006 -4.813 189 HB THR 30 HB THR 30 -14.744 6.620 -2.825 190 HG1 THR 30 1HG THR 30 -16.369 7.170 -1.144 191 1HG2 THR 30 1HG2 THR 30 -16.804 7.975 -4.413 192 2HG2 THR 30 2HG2 THR 30 -16.804 8.574 -2.736 193 3HG2 THR 30 3HG2 THR 30 -15.314 8.650 -3.709 194 H ALA 31 H ALA 31 -14.122 6.386 -5.135 195 HA ALA 31 HA ALA 31 -12.842 3.784 -5.040 196 1HB ALA 31 1HB ALA 31 -14.278 4.037 -7.184 197 2HB ALA 31 2HB ALA 31 -13.064 5.237 -7.688 198 3HB ALA 31 3HB ALA 31 -12.577 3.554 -7.375 199 H TYR 32 H TYR 32 -10.556 3.937 -5.116 200 HA TYR 32 HA TYR 32 -9.448 6.613 -5.485 201 1HB TYR 32 1HB TYR 32 -9.314 4.743 -3.054 202 2HB TYR 32 2HB TYR 32 -8.123 6.024 -3.286 203 HD1 TYR 32 1HD TYR 32 -10.073 5.641 -0.927 204 HD2 TYR 32 2HD TYR 32 -10.282 7.983 -4.501 205 HE1 TYR 32 1HE TYR 32 -11.629 7.284 0.231 206 HE2 TYR 32 2HE TYR 32 -11.837 9.618 -3.330 207 HH TYR 32 HH TYR 32 -13.319 8.889 -0.369 208 H ASP 33 H ASP 33 -6.830 6.080 -4.664 209 HA ASP 33 HA ASP 33 -6.125 4.088 -6.653 210 1HB ASP 33 1HB ASP 33 -3.913 5.177 -6.660 211 2HB ASP 33 2HB ASP 33 -5.194 6.367 -6.948 212 HD2 ASP 33 HD2 ASP 33 -4.451 8.072 -4.026 213 H VAL 34 H VAL 34 -5.563 2.086 -5.786 214 HA VAL 34 HA VAL 34 -4.760 1.961 -3.004 215 HB VAL 34 HB VAL 34 -6.236 0.352 -4.777 216 1HG1 VAL 34 1HG1 VAL 34 -5.143 -1.829 -4.636 217 2HG1 VAL 34 2HG1 VAL 34 -4.116 -0.670 -5.512 218 3HG1 VAL 34 3HG1 VAL 34 -3.740 -1.093 -3.825 219 1HG2 VAL 34 1HG2 VAL 34 -5.545 0.473 -1.922 220 2HG2 VAL 34 2HG2 VAL 34 -7.110 0.169 -2.713 221 3HG2 VAL 34 3HG2 VAL 34 -5.948 -1.162 -2.496 222 H GLY 35 H GLY 35 -2.704 1.529 -2.277 223 1HA GLY 35 1HA GLY 35 -0.705 0.279 -3.814 224 2HA GLY 35 2HA GLY 35 -0.518 2.016 -3.953 225 H GLN 36 H GLN 36 1.306 0.115 -2.624 226 HA GLN 36 HA GLN 36 0.887 0.692 0.172 227 1HB GLN 36 1HB GLN 36 2.750 -0.844 0.562 228 2HB GLN 36 2HB GLN 36 1.576 -1.597 -0.534 229 1HG GLN 36 1HG GLN 36 3.380 -0.181 -2.193 230 2HG GLN 36 2HG GLN 36 4.393 -0.971 -0.976 231 1HE2 GLN 36 1HE2 GLN 36 4.742 -1.763 -3.463 232 2HE2 GLN 36 2HE2 GLN 36 4.052 -3.320 -3.782 233 H CYS 37 H CYS 37 1.471 2.757 0.746 234 HA CYS 37 HA CYS 37 3.947 3.787 -0.421 235 1HB CYS 37 1HB CYS 37 1.616 4.987 -0.534 236 2HB CYS 37 2HB CYS 37 2.028 5.503 1.103 237 H ALA 38 H ALA 38 5.509 4.798 1.061 238 HA ALA 38 HA ALA 38 5.219 4.977 3.792 239 1HB ALA 38 1HB ALA 38 4.919 2.629 4.008 240 2HB ALA 38 2HB ALA 38 6.203 2.275 2.827 241 3HB ALA 38 3HB ALA 38 6.624 2.919 4.430 242 H TRP 39 H TRP 39 7.411 5.279 4.880 243 HA TRP 39 HA TRP 39 9.000 6.919 3.288 244 1HB TRP 39 1HB TRP 39 9.708 5.576 5.895 245 2HB TRP 39 2HB TRP 39 10.509 6.981 5.188 246 HD1 TRP 39 HD TRP 39 8.836 9.272 5.020 247 HE1 TRP 39 1HE TRP 39 6.985 10.197 6.660 248 HE3 TRP 39 3HE TRP 39 8.062 4.879 7.460 249 HZ2 TRP 39 2HZ TRP 39 5.441 9.012 8.748 250 HZ3 TRP 39 3HZ TRP 39 6.364 4.850 9.287 251 HH2 TRP 39 HH TRP 39 5.077 6.820 9.941 252 H VAL 40 H VAL 40 10.189 6.223 1.556 253 HA VAL 40 HA VAL 40 11.360 3.547 1.721 254 HB VAL 40 HB VAL 40 9.909 4.823 -0.239 255 1HG1 VAL 40 1HG1 VAL 40 12.793 4.777 -1.181 256 2HG1 VAL 40 2HG1 VAL 40 11.358 5.287 -2.102 257 3HG1 VAL 40 3HG1 VAL 40 11.914 6.254 -0.717 258 1HG2 VAL 40 1HG2 VAL 40 11.868 2.524 -0.558 259 2HG2 VAL 40 2HG2 VAL 40 10.195 2.403 0.034 260 3HG2 VAL 40 3HG2 VAL 40 10.511 2.897 -1.646 261 H ASP 41 H ASP 41 12.104 7.032 1.261 262 HA ASP 41 HA ASP 41 14.878 6.453 0.941 263 1HB ASP 41 1HB ASP 41 13.333 8.486 0.091 264 2HB ASP 41 2HB ASP 41 13.873 9.210 1.613 265 HD2 ASP 41 HD2 ASP 41 17.268 8.897 0.216 266 H THR 42 H THR 42 15.769 8.849 2.519 267 HA THR 42 HA THR 42 15.883 7.570 5.108 268 HB THR 42 HB THR 42 17.823 8.682 3.773 269 HG1 THR 42 1HG THR 42 17.798 8.125 6.104 270 1HG2 THR 42 1HG2 THR 42 17.950 10.983 3.620 271 2HG2 THR 42 2HG2 THR 42 16.174 10.907 3.734 272 3HG2 THR 42 3HG2 THR 42 17.148 11.219 5.191 273 H GLY 43 H GLY 43 13.287 8.002 4.861 274 1HA GLY 43 1HA GLY 43 11.894 8.867 6.588 275 2HA GLY 43 2HA GLY 43 12.844 10.339 6.608 276 H VAL 44 H VAL 44 12.613 9.422 3.373 277 HA VAL 44 HA VAL 44 10.541 11.407 2.937 278 HB VAL 44 HB VAL 44 12.164 9.921 0.879 279 1HG1 VAL 44 1HG1 VAL 44 10.265 11.211 0.032 280 2HG1 VAL 44 2HG1 VAL 44 10.853 12.660 0.881 281 3HG1 VAL 44 3HG1 VAL 44 11.804 11.963 -0.452 282 1HG2 VAL 44 1HG2 VAL 44 13.641 10.927 2.653 283 2HG2 VAL 44 2HG2 VAL 44 13.892 11.576 1.014 284 3HG2 VAL 44 3HG2 VAL 44 12.977 12.518 2.215 285 H LEU 45 H LEU 45 8.448 10.882 2.601 286 HA LEU 45 HA LEU 45 7.662 8.170 2.565 287 1HB LEU 45 1HB LEU 45 6.482 10.322 3.415 288 2HB LEU 45 2HB LEU 45 5.880 10.437 1.753 289 HG LEU 45 HG LEU 45 5.523 7.786 2.969 290 1HD1 LEU 45 1HD1 LEU 45 5.281 9.407 4.933 291 2HD1 LEU 45 2HD1 LEU 45 3.816 9.995 4.110 292 3HD1 LEU 45 3HD1 LEU 45 3.933 8.292 4.615 293 1HD2 LEU 45 1HD2 LEU 45 3.436 7.851 1.889 294 2HD2 LEU 45 2HD2 LEU 45 3.429 9.630 1.817 295 3HD2 LEU 45 3HD2 LEU 45 4.554 8.705 0.796 296 H ALA 46 H ALA 46 8.164 6.866 0.873 297 HA ALA 46 HA ALA 46 7.632 7.961 -1.804 298 1HB ALA 46 1HB ALA 46 9.741 7.391 -2.317 299 2HB ALA 46 2HB ALA 46 9.994 6.772 -0.666 300 3HB ALA 46 3HB ALA 46 9.359 5.694 -1.932 301 H CYS 47 H CYS 47 6.378 6.715 -3.215 302 HA CYS 47 HA CYS 47 4.981 4.531 -1.893 303 1HB CYS 47 1HB CYS 47 4.298 6.004 -4.441 304 2HB CYS 47 2HB CYS 47 3.300 4.787 -3.639 305 H ASN 48 H ASN 48 4.556 2.528 -3.221 306 HA ASN 48 HA ASN 48 6.971 1.773 -4.520 307 1HB ASN 48 1HB ASN 48 4.364 0.377 -3.816 308 2HB ASN 48 2HB ASN 48 5.562 -0.436 -4.837 309 1HD2 ASN 48 1HD2 ASN 48 6.301 1.877 -2.299 310 2HD2 ASN 48 2HD2 ASN 48 7.066 0.785 -1.194 311 HA PRO 49 HA PRO 49 5.448 2.121 -8.618 312 1HB PRO 49 1HB PRO 49 6.549 -0.014 -9.918 313 2HB PRO 49 2HB PRO 49 7.446 1.458 -9.550 314 1HG PRO 49 1HG PRO 49 7.523 -1.185 -8.243 315 2HG PRO 49 2HG PRO 49 8.751 0.130 -8.189 316 1HD PRO 49 1HD PRO 49 6.880 -0.644 -6.165 317 2HD PRO 49 2HD PRO 49 7.957 0.759 -6.124 318 H ALA 50 H ALA 50 4.593 -0.597 -6.803 319 HA ALA 50 HA ALA 50 2.538 -1.272 -8.783 320 1HB ALA 50 1HB ALA 50 4.314 -2.834 -7.246 321 2HB ALA 50 2HB ALA 50 2.718 -3.048 -6.486 322 3HB ALA 50 3HB ALA 50 2.936 -3.411 -8.215 323 H ASP 51 H ASP 51 2.767 1.056 -6.691 324 HA ASP 51 HA ASP 51 0.602 0.377 -4.945 325 1HB ASP 51 1HB ASP 51 1.657 1.915 -3.681 326 2HB ASP 51 2HB ASP 51 2.735 2.321 -5.026 327 HD2 ASP 51 HD2 ASP 51 0.112 4.928 -3.880 328 H PHE 52 H PHE 52 0.654 0.919 -8.129 329 HA PHE 52 HA PHE 52 -1.458 2.946 -8.147 330 1HB PHE 52 1HB PHE 52 -0.056 1.686 -10.545 331 2HB PHE 52 2HB PHE 52 -0.748 3.307 -10.429 332 HD1 PHE 52 1HD PHE 52 2.169 1.954 -11.085 333 HD2 PHE 52 2HD PHE 52 0.503 4.363 -8.014 334 HE1 PHE 52 1HE PHE 52 4.447 2.871 -10.568 335 HE2 PHE 52 2HE PHE 52 2.782 5.281 -7.499 336 HZ PHE 52 HZ PHE 52 4.726 4.522 -8.781 337 H SER 53 H SER 53 -3.195 1.563 -7.457 338 HA SER 53 HA SER 53 -4.187 -0.018 -9.636 339 1HB SER 53 1HB SER 53 -2.884 -1.262 -7.431 340 2HB SER 53 2HB SER 53 -4.617 -1.569 -7.225 341 HG SER 53 HG SER 53 -4.425 -2.138 -9.674 342 H SER 54 H SER 54 -5.829 1.625 -9.747 343 HA SER 54 HA SER 54 -7.157 2.780 -7.748 344 1HB SER 54 1HB SER 54 -8.891 3.262 -9.295 345 2HB SER 54 2HB SER 54 -7.434 3.078 -10.286 346 HG SER 54 HG SER 54 -8.628 1.673 -11.380 347 H VAL 55 H VAL 55 -8.902 2.301 -6.343 348 HA VAL 55 HA VAL 55 -9.879 -0.465 -6.472 349 HB VAL 55 HB VAL 55 -8.121 0.002 -4.707 350 1HG1 VAL 55 1HG1 VAL 55 -9.978 1.101 -2.779 351 2HG1 VAL 55 2HG1 VAL 55 -8.356 1.668 -3.241 352 3HG1 VAL 55 3HG1 VAL 55 -9.781 2.209 -4.157 353 1HG2 VAL 55 1HG2 VAL 55 -10.575 -0.803 -3.238 354 2HG2 VAL 55 2HG2 VAL 55 -10.214 -1.707 -4.728 355 3HG2 VAL 55 3HG2 VAL 55 -9.015 -1.639 -3.415 356 H THR 56 H THR 56 -12.026 -0.730 -5.331 357 HA THR 56 HA THR 56 -13.541 1.729 -5.037 358 HB THR 56 HB THR 56 -13.773 -0.209 -7.335 359 HG1 THR 56 1HG THR 56 -14.327 1.909 -8.258 360 1HG2 THR 56 1HG2 THR 56 -15.978 -0.422 -6.078 361 2HG2 THR 56 2HG2 THR 56 -16.146 1.345 -6.181 362 3HG2 THR 56 3HG2 THR 56 -16.140 0.365 -7.666 363 H ALA 57 H ALA 57 -14.854 1.596 -3.323 364 HA ALA 57 HA ALA 57 -15.320 -1.100 -2.268 365 1HB ALA 57 1HB ALA 57 -16.054 0.916 -0.399 366 2HB ALA 57 2HB ALA 57 -14.643 -0.168 -0.339 367 3HB ALA 57 3HB ALA 57 -14.510 1.425 -1.122 368 H ASP 58 H ASP 58 -17.378 -1.913 -2.123 369 HA ASP 58 HA ASP 58 -19.358 -0.941 -3.662 370 1HB ASP 58 1HB ASP 58 -20.053 -2.288 -1.053 371 2HB ASP 58 2HB ASP 58 -20.754 -2.560 -2.654 372 HD2 ASP 58 HD2 ASP 58 -18.665 -5.389 -1.862 373 H ALA 59 H ALA 59 -21.537 0.031 -2.993 374 HA ALA 59 HA ALA 59 -21.365 2.451 -1.850 375 1HB ALA 59 1HB ALA 59 -23.590 2.474 -2.255 376 2HB ALA 59 2HB ALA 59 -23.369 0.812 -2.853 377 3HB ALA 59 3HB ALA 59 -23.885 1.092 -1.173 378 H ASN 60 H ASN 60 -21.430 -0.691 -0.213 379 HA ASN 60 HA ASN 60 -21.924 0.545 2.323 380 1HB ASN 60 1HB ASN 60 -22.525 -1.909 1.399 381 2HB ASN 60 2HB ASN 60 -20.928 -2.298 2.059 382 1HD2 ASN 60 1HD2 ASN 60 -22.299 -3.701 3.410 383 2HD2 ASN 60 2HD2 ASN 60 -22.954 -3.073 4.886 384 H GLY 61 H GLY 61 -19.547 1.435 0.814 385 1HA GLY 61 1HA GLY 61 -17.301 1.643 0.955 386 2HA GLY 61 2HA GLY 61 -17.606 1.634 2.681 387 H SER 62 H SER 62 -18.026 -1.054 0.292 388 HA SER 62 HA SER 62 -16.175 -2.572 1.948 389 1HB SER 62 1HB SER 62 -18.069 -3.742 -0.107 390 2HB SER 62 2HB SER 62 -17.326 -4.551 1.283 391 HG SER 62 HG SER 62 -18.650 -2.793 2.523 392 H ALA 63 H ALA 63 -14.138 -2.205 1.049 393 HA ALA 63 HA ALA 63 -13.923 -2.520 -1.861 394 1HB ALA 63 1HB ALA 63 -11.495 -1.553 -0.884 395 2HB ALA 63 2HB ALA 63 -12.786 -0.584 -1.634 396 3HB ALA 63 3HB ALA 63 -12.712 -0.748 0.137 397 H SER 64 H SER 64 -14.120 -4.885 -1.631 398 HA SER 64 HA SER 64 -11.914 -6.107 -0.224 399 1HB SER 64 1HB SER 64 -14.197 -7.446 -1.721 400 2HB SER 64 2HB SER 64 -13.106 -8.209 -0.553 401 HG SER 64 HG SER 64 -14.444 -7.588 0.987 402 H THR 65 H THR 65 -10.373 -5.094 -1.862 403 HA THR 65 HA THR 65 -10.351 -6.658 -4.360 404 HB THR 65 HB THR 65 -9.175 -4.710 -5.321 405 HG1 THR 65 1HG THR 65 -9.611 -3.565 -2.662 406 1HG2 THR 65 1HG2 THR 65 -11.842 -4.607 -4.526 407 2HG2 THR 65 2HG2 THR 65 -11.163 -3.157 -3.748 408 3HG2 THR 65 3HG2 THR 65 -11.034 -3.365 -5.512 409 H SER 66 H SER 66 -8.590 -7.866 -4.910 410 HA SER 66 HA SER 66 -6.635 -8.093 -2.782 411 1HB SER 66 1HB SER 66 -6.025 -10.237 -3.929 412 2HB SER 66 2HB SER 66 -7.717 -10.182 -3.401 413 HG SER 66 HG SER 66 -7.307 -11.012 -5.627 414 H LEU 67 H LEU 67 -4.370 -7.879 -3.183 415 HA LEU 67 HA LEU 67 -3.620 -7.108 -5.899 416 1HB LEU 67 1HB LEU 67 -4.009 -5.282 -3.819 417 2HB LEU 67 2HB LEU 67 -2.252 -5.474 -3.959 418 HG LEU 67 HG LEU 67 -4.188 -4.631 -6.132 419 1HD1 LEU 67 1HD1 LEU 67 -1.890 -2.991 -5.106 420 2HD1 LEU 67 2HD1 LEU 67 -3.386 -2.474 -5.925 421 3HD1 LEU 67 3HD1 LEU 67 -3.440 -3.019 -4.230 422 1HD2 LEU 67 1HD2 LEU 67 -1.192 -5.074 -6.295 423 2HD2 LEU 67 2HD2 LEU 67 -2.457 -6.021 -7.111 424 3HD2 LEU 67 3HD2 LEU 67 -2.199 -4.317 -7.554 425 H THR 68 H THR 68 -1.084 -6.947 -5.989 426 HA THR 68 HA THR 68 -0.117 -9.365 -4.658 427 HB THR 68 HB THR 68 0.860 -7.706 -7.041 428 HG1 THR 68 1HG THR 68 -1.119 -9.123 -7.145 429 1HG2 THR 68 1HG2 THR 68 1.840 -10.462 -6.811 430 2HG2 THR 68 2HG2 THR 68 2.767 -8.970 -7.091 431 3HG2 THR 68 3HG2 THR 68 2.385 -9.480 -5.430 432 H VAL 69 H VAL 69 1.351 -9.380 -3.058 433 HA VAL 69 HA VAL 69 2.250 -6.782 -2.129 434 HB VAL 69 HB VAL 69 2.248 -9.572 -0.980 435 1HG1 VAL 69 1HG1 VAL 69 3.108 -8.470 1.129 436 2HG1 VAL 69 2HG1 VAL 69 4.293 -8.627 -0.189 437 3HG1 VAL 69 3HG1 VAL 69 3.523 -7.054 0.130 438 1HG2 VAL 69 1HG2 VAL 69 0.107 -8.715 -0.715 439 2HG2 VAL 69 2HG2 VAL 69 0.889 -8.227 0.808 440 3HG2 VAL 69 3HG2 VAL 69 0.685 -7.043 -0.508 441 H ARG 70 H ARG 70 3.796 -6.232 -3.755 442 HA ARG 70 HA ARG 70 6.050 -8.058 -3.870 443 1HB ARG 70 1HB ARG 70 5.368 -5.701 -5.685 444 2HB ARG 70 2HB ARG 70 6.684 -6.858 -5.949 445 1HG ARG 70 1HG ARG 70 4.134 -8.224 -5.553 446 2HG ARG 70 2HG ARG 70 4.018 -7.055 -6.878 447 1HD ARG 70 1HD ARG 70 6.529 -8.443 -7.111 448 2HD ARG 70 2HD ARG 70 5.261 -9.656 -6.877 449 HE ARG 70 HE ARG 70 4.424 -7.678 -8.804 450 1HH1 ARG 70 1HH1 ARG 70 6.558 -10.454 -8.448 451 2HH1 ARG 70 2HH1 ARG 70 6.520 -10.859 -10.132 452 1HH2 ARG 70 1HH2 ARG 70 4.374 -8.213 -11.025 453 2HH2 ARG 70 2HH2 ARG 70 5.270 -9.577 -11.607 454 H ARG 71 H ARG 71 6.847 -7.299 -1.737 455 HA ARG 71 HA ARG 71 7.261 -4.678 -1.116 456 1HB ARG 71 1HB ARG 71 7.937 -7.242 -0.054 457 2HB ARG 71 2HB ARG 71 9.435 -6.293 -0.056 458 1HG ARG 71 1HG ARG 71 8.549 -5.661 1.988 459 2HG ARG 71 2HG ARG 71 7.834 -4.407 0.959 460 1HD ARG 71 1HD ARG 71 6.536 -6.951 2.010 461 2HD ARG 71 2HD ARG 71 6.049 -5.280 2.332 462 HE ARG 71 HE ARG 71 5.618 -6.799 -0.195 463 1HH1 ARG 71 1HH1 ARG 71 5.179 -3.839 1.659 464 2HH1 ARG 71 2HH1 ARG 71 3.958 -3.209 0.604 465 1HH2 ARG 71 1HH2 ARG 71 4.008 -5.968 -1.586 466 2HH2 ARG 71 2HH2 ARG 71 3.287 -4.428 -1.255 467 H SER 72 H SER 72 9.077 -6.869 -3.231 468 HA SER 72 HA SER 72 11.357 -5.140 -3.285 469 1HB SER 72 1HB SER 72 12.436 -6.900 -4.224 470 2HB SER 72 2HB SER 72 11.025 -7.833 -3.700 471 HG SER 72 HG SER 72 10.871 -8.313 -5.785 472 H PHE 73 H PHE 73 11.284 -3.262 -4.464 473 HA PHE 73 HA PHE 73 10.785 -3.237 -7.183 474 1HB PHE 73 1HB PHE 73 8.462 -3.026 -5.368 475 2HB PHE 73 2HB PHE 73 8.605 -1.579 -6.371 476 HD1 PHE 73 1HD PHE 73 9.513 -2.596 -8.921 477 HD2 PHE 73 2HD PHE 73 6.733 -4.295 -6.201 478 HE1 PHE 73 1HE PHE 73 8.403 -3.815 -10.815 479 HE2 PHE 73 2HE PHE 73 5.624 -5.511 -8.094 480 HZ PHE 73 HZ PHE 73 6.472 -5.259 -10.379 481 H GLU 74 H GLU 74 10.699 -0.925 -8.060 482 HA GLU 74 HA GLU 74 12.470 0.625 -6.448 483 1HB GLU 74 1HB GLU 74 12.857 0.405 -8.854 484 2HB GLU 74 2HB GLU 74 11.277 1.125 -9.210 485 1HG GLU 74 1HG GLU 74 12.249 3.100 -7.687 486 2HG GLU 74 2HG GLU 74 13.802 2.423 -8.201 487 HE2 GLU 74 HE2 GLU 74 12.830 3.106 -11.632 488 H GLY 75 H GLY 75 11.825 2.144 -4.988 489 1HA GLY 75 1HA GLY 75 9.045 2.957 -4.925 490 2HA GLY 75 2HA GLY 75 10.299 3.318 -3.752 491 H PHE 76 H PHE 76 8.587 5.362 -4.474 492 HA PHE 76 HA PHE 76 10.418 7.100 -5.933 493 1HB PHE 76 1HB PHE 76 8.863 6.702 -7.666 494 2HB PHE 76 2HB PHE 76 7.564 6.295 -6.538 495 HD1 PHE 76 1HD PHE 76 9.138 8.901 -8.489 496 HD2 PHE 76 2HD PHE 76 6.313 8.132 -5.417 497 HE1 PHE 76 1HE PHE 76 8.162 11.192 -8.814 498 HE2 PHE 76 2HE PHE 76 5.337 10.422 -5.740 499 HZ PHE 76 HZ PHE 76 6.274 11.925 -7.434 500 H LEU 77 H LEU 77 10.820 8.897 -4.737 501 HA LEU 77 HA LEU 77 9.461 9.358 -2.328 502 1HB LEU 77 1HB LEU 77 11.190 11.270 -3.883 503 2HB LEU 77 2HB LEU 77 10.843 11.306 -2.145 504 HG LEU 77 HG LEU 77 12.860 10.330 -1.992 505 1HD1 LEU 77 1HD1 LEU 77 11.117 8.550 -1.438 506 2HD1 LEU 77 2HD1 LEU 77 11.550 7.803 -2.994 507 3HD1 LEU 77 3HD1 LEU 77 12.784 7.996 -1.727 508 1HD2 LEU 77 1HD2 LEU 77 14.170 9.656 -3.731 509 2HD2 LEU 77 2HD2 LEU 77 12.837 8.827 -4.570 510 3HD2 LEU 77 3HD2 LEU 77 12.960 10.602 -4.630 511 H PHE 78 H PHE 78 7.807 10.753 -1.751 512 HA PHE 78 HA PHE 78 5.899 11.341 -3.663 513 1HB PHE 78 1HB PHE 78 4.824 12.448 -1.786 514 2HB PHE 78 2HB PHE 78 5.793 11.159 -1.064 515 HD1 PHE 78 1HD PHE 78 7.905 11.725 0.094 516 HD2 PHE 78 2HD PHE 78 5.302 14.739 -1.371 517 HE1 PHE 78 1HE PHE 78 9.052 13.420 1.545 518 HE2 PHE 78 2HE PHE 78 6.450 16.436 0.081 519 HZ PHE 78 HZ PHE 78 8.311 15.756 1.522 520 H ASP 79 H ASP 79 8.771 13.133 -2.634 521 HA ASP 79 HA ASP 79 8.070 15.677 -3.196 522 1HB ASP 79 1HB ASP 79 10.382 14.386 -2.573 523 2HB ASP 79 2HB ASP 79 10.721 14.771 -4.267 524 HD2 ASP 79 HD2 ASP 79 11.171 17.536 -1.581 525 H GLY 80 H GLY 80 9.456 13.167 -5.449 526 1HA GLY 80 1HA GLY 80 7.945 13.446 -7.625 527 2HA GLY 80 2HA GLY 80 8.970 14.862 -7.762 528 H THR 81 H THR 81 11.172 13.276 -6.213 529 HA THR 81 HA THR 81 12.305 12.094 -8.614 530 HB THR 81 HB THR 81 13.468 12.601 -5.825 531 HG1 THR 81 1HG THR 81 13.663 14.026 -8.381 532 1HG2 THR 81 1HG2 THR 81 14.693 11.994 -8.562 533 2HG2 THR 81 2HG2 THR 81 15.619 12.724 -7.229 534 3HG2 THR 81 3HG2 THR 81 14.938 11.090 -7.047 535 H ARG 82 H ARG 82 13.100 9.961 -8.780 536 HA ARG 82 HA ARG 82 11.524 8.168 -7.185 537 1HB ARG 82 1HB ARG 82 12.394 6.437 -8.807 538 2HB ARG 82 2HB ARG 82 11.540 7.772 -9.598 539 1HG ARG 82 1HG ARG 82 14.278 8.542 -9.366 540 2HG ARG 82 2HG ARG 82 14.270 6.876 -9.970 541 1HD ARG 82 1HD ARG 82 12.737 7.534 -11.791 542 2HD ARG 82 2HD ARG 82 12.670 9.190 -11.169 543 HE ARG 82 HE ARG 82 15.406 8.448 -11.606 544 1HH1 ARG 82 1HH1 ARG 82 12.484 9.218 -13.411 545 2HH1 ARG 82 2HH1 ARG 82 13.342 9.804 -14.796 546 1HH2 ARG 82 1HH2 ARG 82 16.538 9.223 -13.432 547 2HH2 ARG 82 2HH2 ARG 82 15.663 9.807 -14.809 548 H TRP 83 H TRP 83 12.420 6.507 -5.833 549 HA TRP 83 HA TRP 83 15.244 6.945 -5.175 550 1HB TRP 83 1HB TRP 83 13.802 7.396 -3.338 551 2HB TRP 83 2HB TRP 83 12.932 5.878 -3.554 552 HD1 TRP 83 HD TRP 83 14.077 3.680 -2.497 553 HE1 TRP 83 1HE TRP 83 16.082 3.204 -0.849 554 HE3 TRP 83 3HE TRP 83 16.105 8.335 -2.783 555 HZ2 TRP 83 2HZ TRP 83 18.243 4.789 0.128 556 HZ3 TRP 83 3HZ TRP 83 18.164 8.786 -1.451 557 HH2 TRP 83 HH TRP 83 19.228 7.105 -0.032 558 H GLY 84 H GLY 84 13.248 4.098 -4.344 559 1HA GLY 84 1HA GLY 84 13.471 2.282 -6.210 560 2HA GLY 84 2HA GLY 84 15.164 2.407 -5.778 561 H THR 85 H THR 85 15.801 2.008 -3.477 562 HA THR 85 HA THR 85 15.751 0.834 -1.588 563 HB THR 85 HB THR 85 12.753 1.227 -2.014 564 HG1 THR 85 1HG THR 85 14.678 2.151 -0.010 565 1HG2 THR 85 1HG2 THR 85 12.384 -0.310 -0.357 566 2HG2 THR 85 2HG2 THR 85 14.132 -0.550 -0.114 567 3HG2 THR 85 3HG2 THR 85 13.289 0.774 0.726 568 H VAL 86 H VAL 86 13.161 -0.477 -3.769 569 HA VAL 86 HA VAL 86 13.005 -2.475 -4.730 570 HB VAL 86 HB VAL 86 15.698 -3.071 -3.487 571 1HG1 VAL 86 1HG1 VAL 86 14.467 -4.440 -5.886 572 2HG1 VAL 86 2HG1 VAL 86 15.860 -4.950 -4.902 573 3HG1 VAL 86 3HG1 VAL 86 14.216 -5.035 -4.227 574 1HG2 VAL 86 1HG2 VAL 86 15.801 -2.682 -6.325 575 2HG2 VAL 86 2HG2 VAL 86 14.996 -1.277 -5.583 576 3HG2 VAL 86 3HG2 VAL 86 16.620 -1.764 -5.038 577 H ASP 87 H ASP 87 14.864 -4.194 -2.318 578 HA ASP 87 HA ASP 87 12.621 -5.582 -1.471 579 1HB ASP 87 1HB ASP 87 15.395 -5.782 -1.205 580 2HB ASP 87 2HB ASP 87 14.856 -5.525 0.462 581 HD2 ASP 87 HD2 ASP 87 13.552 -8.845 -1.324 582 H CYS 88 H CYS 88 11.036 -4.057 -0.647 583 HA CYS 88 HA CYS 88 11.756 -2.130 1.300 584 1HB CYS 88 1HB CYS 88 9.952 -1.597 -0.097 585 2HB CYS 88 2HB CYS 88 9.129 -3.128 0.217 586 H THR 89 H THR 89 12.932 -4.138 2.473 587 HA THR 89 HA THR 89 10.998 -5.437 4.265 588 HB THR 89 HB THR 89 12.516 -6.900 2.897 589 HG1 THR 89 1HG THR 89 13.243 -6.631 5.728 590 1HG2 THR 89 1HG2 THR 89 14.912 -6.465 4.481 591 2HG2 THR 89 2HG2 THR 89 14.747 -6.455 2.708 592 3HG2 THR 89 3HG2 THR 89 14.497 -4.955 3.635 593 H THR 90 H THR 90 13.165 -2.806 4.060 594 HA THR 90 HA THR 90 13.835 -2.911 6.894 595 HB THR 90 HB THR 90 14.561 -1.022 4.594 596 HG1 THR 90 1HG THR 90 16.415 -2.344 4.632 597 1HG2 THR 90 1HG2 THR 90 15.550 0.353 6.125 598 2HG2 THR 90 2HG2 THR 90 14.773 -0.584 7.426 599 3HG2 THR 90 3HG2 THR 90 16.395 -1.037 6.849 600 H ALA 91 H ALA 91 12.216 -0.593 4.615 601 HA ALA 91 HA ALA 91 10.991 0.677 6.924 602 1HB ALA 91 1HB ALA 91 11.359 2.453 5.593 603 2HB ALA 91 2HB ALA 91 11.751 1.407 4.208 604 3HB ALA 91 3HB ALA 91 10.059 1.848 4.539 605 H ALA 92 H ALA 92 8.974 0.187 7.637 606 HA ALA 92 HA ALA 92 7.530 -1.923 6.538 607 1HB ALA 92 1HB ALA 92 6.059 0.117 8.123 608 2HB ALA 92 2HB ALA 92 6.224 -1.635 8.384 609 3HB ALA 92 3HB ALA 92 7.530 -0.533 8.883 610 H CYS 93 H CYS 93 6.314 -2.040 4.723 611 HA CYS 93 HA CYS 93 5.616 0.447 3.426 612 1HB CYS 93 1HB CYS 93 4.756 -2.040 2.153 613 2HB CYS 93 2HB CYS 93 5.669 -0.681 1.497 614 H GLN 94 H GLN 94 3.563 1.317 3.541 615 HA GLN 94 HA GLN 94 1.585 -0.302 4.904 616 1HB GLN 94 1HB GLN 94 1.842 2.676 4.390 617 2HB GLN 94 2HB GLN 94 0.363 1.960 5.053 618 1HG GLN 94 1HG GLN 94 1.308 1.637 7.100 619 2HG GLN 94 2HG GLN 94 2.845 1.083 6.419 620 1HE2 GLN 94 1HE2 GLN 94 4.452 2.542 5.928 621 2HE2 GLN 94 2HE2 GLN 94 4.471 4.176 6.501 622 H VAL 95 H VAL 95 0.238 -1.463 3.594 623 HA VAL 95 HA VAL 95 -0.217 -0.535 0.894 624 HB VAL 95 HB VAL 95 -1.270 -2.992 2.301 625 1HG1 VAL 95 1HG1 VAL 95 -2.485 -2.635 0.295 626 2HG1 VAL 95 2HG1 VAL 95 -1.018 -2.183 -0.606 627 3HG1 VAL 95 3HG1 VAL 95 -1.261 -3.870 -0.091 628 1HG2 VAL 95 1HG2 VAL 95 1.439 -2.335 1.359 629 2HG2 VAL 95 2HG2 VAL 95 0.886 -3.616 2.465 630 3HG2 VAL 95 3HG2 VAL 95 0.792 -3.858 0.704 631 H GLY 96 H GLY 96 -1.666 1.113 0.694 632 1HA GLY 96 1HA GLY 96 -4.362 0.641 1.685 633 2HA GLY 96 2HA GLY 96 -3.538 2.044 2.339 634 H LEU 97 H LEU 97 -5.759 2.679 0.990 635 HA LEU 97 HA LEU 97 -4.857 3.383 -1.714 636 1HB LEU 97 1HB LEU 97 -7.393 3.802 -1.975 637 2HB LEU 97 2HB LEU 97 -6.743 2.157 -2.066 638 HG LEU 97 HG LEU 97 -8.868 2.346 -0.801 639 1HD1 LEU 97 1HD1 LEU 97 -7.207 1.488 1.403 640 2HD1 LEU 97 2HD1 LEU 97 -8.242 0.533 0.314 641 3HD1 LEU 97 3HD1 LEU 97 -6.562 0.900 -0.148 642 1HD2 LEU 97 1HD2 LEU 97 -8.166 4.649 0.164 643 2HD2 LEU 97 2HD2 LEU 97 -9.125 3.539 1.171 644 3HD2 LEU 97 3HD2 LEU 97 -7.370 3.689 1.434 645 H SER 98 H SER 98 -4.722 5.523 -2.316 646 HA SER 98 HA SER 98 -5.013 7.377 -0.125 647 1HB SER 98 1HB SER 98 -3.086 8.121 -1.012 648 2HB SER 98 2HB SER 98 -3.300 7.138 -2.474 649 HG SER 98 HG SER 98 -3.953 8.882 -3.535 650 H ASP 99 H ASP 99 -6.548 9.036 -0.079 651 HA ASP 99 HA ASP 99 -8.750 8.744 -1.778 652 1HB ASP 99 1HB ASP 99 -8.312 11.310 -0.291 653 2HB ASP 99 2HB ASP 99 -9.773 10.314 -0.391 654 HD2 ASP 99 HD2 ASP 99 -9.005 8.663 2.517 655 H ALA 100 H ALA 100 -9.660 10.645 -3.124 656 HA ALA 100 HA ALA 100 -7.507 11.748 -4.721 657 1HB ALA 100 1HB ALA 100 -10.241 10.887 -5.110 658 2HB ALA 100 2HB ALA 100 -10.057 12.568 -5.666 659 3HB ALA 100 3HB ALA 100 -9.007 11.293 -6.329 660 H ALA 101 H ALA 101 -8.563 12.609 -1.831 661 HA ALA 101 HA ALA 101 -9.211 15.378 -2.440 662 1HB ALA 101 1HB ALA 101 -9.129 13.747 0.126 663 2HB ALA 101 2HB ALA 101 -9.533 15.478 0.059 664 3HB ALA 101 3HB ALA 101 -10.571 14.289 -0.763 665 H GLY 102 H GLY 102 -6.538 13.292 -1.500 666 1HA GLY 102 1HA GLY 102 -4.331 14.157 -1.866 667 2HA GLY 102 2HA GLY 102 -4.848 15.699 -1.211 668 H ASN 103 H ASN 103 -5.640 12.422 0.081 669 HA ASN 103 HA ASN 103 -3.857 12.981 2.301 670 1HB ASN 103 1HB ASN 103 -6.500 11.698 2.928 671 2HB ASN 103 2HB ASN 103 -5.519 12.773 3.936 672 1HD2 ASN 103 1HD2 ASN 103 -5.155 14.982 2.601 673 2HD2 ASN 103 2HD2 ASN 103 -6.628 15.770 2.144 674 H GLY 104 H GLY 104 -3.228 10.951 3.462 675 1HA GLY 104 1HA GLY 104 -3.969 8.472 2.042 676 2HA GLY 104 2HA GLY 104 -2.289 8.884 2.320 677 HA PRO 105 HA PRO 105 -4.113 8.164 6.621 678 1HB PRO 105 1HB PRO 105 -6.790 7.723 6.947 679 2HB PRO 105 2HB PRO 105 -6.046 9.310 7.132 680 1HG PRO 105 1HG PRO 105 -7.640 8.212 4.906 681 2HG PRO 105 2HG PRO 105 -7.303 9.935 5.304 682 1HD PRO 105 1HD PRO 105 -6.157 8.331 3.228 683 2HD PRO 105 2HD PRO 105 -5.677 9.972 3.681 684 H GLU 106 H GLU 106 -5.438 6.339 4.019 685 HA GLU 106 HA GLU 106 -5.631 3.987 5.610 686 1HB GLU 106 1HB GLU 106 -6.505 4.876 3.023 687 2HB GLU 106 2HB GLU 106 -5.611 3.360 2.808 688 1HG GLU 106 1HG GLU 106 -7.922 2.795 3.196 689 2HG GLU 106 2HG GLU 106 -7.037 2.371 4.670 690 HE2 GLU 106 HE2 GLU 106 -9.726 5.287 4.770 691 H GLY 107 H GLY 107 -4.239 2.154 5.579 692 1HA GLY 107 1HA GLY 107 -2.168 1.594 3.910 693 2HA GLY 107 2HA GLY 107 -1.483 2.766 5.021 694 H VAL 108 H VAL 108 -2.208 -0.539 4.518 695 HA VAL 108 HA VAL 108 -2.284 -1.153 7.362 696 HB VAL 108 HB VAL 108 -3.821 -2.208 5.693 697 1HG1 VAL 108 1HG1 VAL 108 -1.935 -4.228 4.794 698 2HG1 VAL 108 2HG1 VAL 108 -3.087 -3.248 3.857 699 3HG1 VAL 108 3HG1 VAL 108 -1.468 -2.606 4.228 700 1HG2 VAL 108 1HG2 VAL 108 -2.839 -3.213 7.965 701 2HG2 VAL 108 2HG2 VAL 108 -3.959 -4.127 6.927 702 3HG2 VAL 108 3HG2 VAL 108 -2.208 -4.442 6.842 703 H ALA 109 H ALA 109 -0.575 -2.004 8.501 704 HA ALA 109 HA ALA 109 1.999 -1.744 7.335 705 1HB ALA 109 1HB ALA 109 1.299 -3.129 9.941 706 2HB ALA 109 2HB ALA 109 2.788 -2.250 9.521 707 3HB ALA 109 3HB ALA 109 1.268 -1.357 9.768 708 H ILE 110 H ILE 110 2.279 -3.147 5.583 709 HA ILE 110 HA ILE 110 1.493 -5.869 5.743 710 HB ILE 110 HB ILE 110 2.417 -4.027 3.782 711 1HG1 ILE 110 1HG1 ILE 110 1.250 -6.811 3.689 712 2HG1 ILE 110 2HG1 ILE 110 0.393 -5.267 3.526 713 1HG2 ILE 110 1HG2 ILE 110 4.628 -4.933 3.935 714 2HG2 ILE 110 2HG2 ILE 110 4.008 -6.600 3.900 715 3HG2 ILE 110 3HG2 ILE 110 3.869 -5.570 2.455 716 1HD1 ILE 110 1HD1 ILE 110 2.198 -4.997 1.512 717 2HD1 ILE 110 2HD1 ILE 110 2.054 -6.770 1.542 718 3HD1 ILE 110 3HD1 ILE 110 0.608 -5.766 1.286 719 H SER 111 H SER 111 2.470 -7.459 6.866 720 HA SER 111 HA SER 111 4.961 -6.960 8.082 721 1HB SER 111 1HB SER 111 3.054 -8.368 9.001 722 2HB SER 111 2HB SER 111 3.518 -9.634 7.850 723 HG SER 111 HG SER 111 5.290 -10.093 9.024 724 H PHE 112 H PHE 112 5.741 -6.511 5.612 725 HA PHE 112 HA PHE 112 6.219 -8.283 3.731 726 1HB PHE 112 1HB PHE 112 8.405 -7.079 3.421 727 2HB PHE 112 2HB PHE 112 7.130 -5.943 3.875 728 HD1 PHE 112 1HD PHE 112 9.940 -7.938 5.268 729 HD2 PHE 112 2HD PHE 112 7.415 -4.560 5.736 730 HE1 PHE 112 1HE PHE 112 11.352 -7.150 7.188 731 HE2 PHE 112 2HE PHE 112 8.826 -3.771 7.656 732 HZ PHE 112 HZ PHE 112 10.778 -5.075 8.358 733 H ASN 113 H ASN 113 7.903 -9.834 3.154 734 HA ASN 113 HA ASN 113 8.242 -11.837 4.854 735 1HB ASN 113 1HB ASN 113 8.906 -11.862 2.451 736 2HB ASN 113 2HB ASN 113 10.326 -10.873 2.822 737 1HD2 ASN 113 1HD2 ASN 113 8.929 -13.987 2.727 738 2HD2 ASN 113 2HD2 ASN 113 10.256 -14.910 3.345 739 6H NCZ 130 6H NCZ 130 0.157 14.027 -0.640 740 6H1 NCZ 130 6H1 NCZ 130 -0.819 11.284 -0.788 741 5H1 NCZ 130 5H1 NCZ 130 -1.748 12.679 1.259 742 4H1 NCZ 130 4H1 NCZ 130 0.441 12.881 2.919 743 5H NCZ 130 5H NCZ 130 3.266 12.921 0.634 744 3H1 NCZ 130 3H1 NCZ 130 2.098 11.382 1.944 745 2H1 NCZ 130 2H1 NCZ 130 2.019 11.688 -0.744 746 2H NCZ 130 2H NCZ 130 0.204 8.776 -3.754 747 8H NCZ 130 8H NCZ 130 -0.856 5.756 -3.489 748 7H NCZ 130 7H NCZ 130 -1.585 4.617 -1.419 749 3H NCZ 130 3H NCZ 130 -0.697 5.219 3.160 750 1H17 NCZ 130 1H17 NCZ 130 1.640 8.572 5.012 751 2H17 NCZ 130 2H17 NCZ 130 2.252 8.764 3.352 752 3H17 NCZ 130 3H17 NCZ 130 0.601 9.286 3.757 753 1H18 NCZ 130 1H18 NCZ 130 -1.636 3.571 0.079 754 2H18 NCZ 130 2H18 NCZ 130 -1.487 3.450 1.848 755 3H18 NCZ 130 3H18 NCZ 130 -2.778 4.442 1.129 756 1H NCZ 130 1H NCZ 130 1.462 8.352 1.290 Start of MODEL 9 1 H ALA 1 H ALA 1 -14.344 -9.965 9.020 2 HA ALA 1 HA ALA 1 -14.005 -8.163 11.320 3 1HB ALA 1 1HB ALA 1 -12.200 -10.386 11.447 4 2HB ALA 1 2HB ALA 1 -13.508 -9.958 12.574 5 3HB ALA 1 3HB ALA 1 -13.841 -11.022 11.186 6 H ALA 2 H ALA 2 -13.183 -6.500 9.917 7 HA ALA 2 HA ALA 2 -10.409 -6.656 9.518 8 1HB ALA 2 1HB ALA 2 -10.158 -7.022 7.259 9 2HB ALA 2 2HB ALA 2 -11.600 -8.028 7.542 10 3HB ALA 2 3HB ALA 2 -11.774 -6.391 6.865 11 HA PRO 3 HA PRO 3 -11.818 -2.501 9.925 12 1HB PRO 3 1HB PRO 3 -9.524 -1.510 11.029 13 2HB PRO 3 2HB PRO 3 -10.826 -2.215 11.982 14 1HG PRO 3 1HG PRO 3 -8.212 -3.348 11.215 15 2HG PRO 3 2HG PRO 3 -9.305 -3.851 12.553 16 1HD PRO 3 1HD PRO 3 -8.863 -5.141 10.036 17 2HD PRO 3 2HD PRO 3 -10.066 -5.588 11.253 18 H THR 4 H THR 4 -11.971 -0.956 8.417 19 HA THR 4 HA THR 4 -11.519 -0.106 6.378 20 HB THR 4 HB THR 4 -9.883 1.562 6.656 21 HG1 THR 4 1HG THR 4 -7.835 0.936 7.724 22 1HG2 THR 4 1HG2 THR 4 -9.994 2.257 8.866 23 2HG2 THR 4 2HG2 THR 4 -11.175 0.933 8.997 24 3HG2 THR 4 3HG2 THR 4 -9.485 0.670 9.488 25 H ALA 5 H ALA 5 -8.728 0.162 5.257 26 HA ALA 5 HA ALA 5 -8.837 -2.285 3.765 27 1HB ALA 5 1HB ALA 5 -6.598 -0.971 2.909 28 2HB ALA 5 2HB ALA 5 -8.243 -0.631 2.317 29 3HB ALA 5 3HB ALA 5 -7.534 0.377 3.602 30 H THR 6 H THR 6 -7.876 -4.146 4.390 31 HA THR 6 HA THR 6 -5.284 -3.956 5.728 32 HB THR 6 HB THR 6 -6.337 -5.897 7.239 33 HG1 THR 6 1HG THR 6 -8.558 -5.874 7.077 34 1HG2 THR 6 1HG2 THR 6 -7.229 -4.171 8.856 35 2HG2 THR 6 2HG2 THR 6 -5.609 -3.757 8.246 36 3HG2 THR 6 3HG2 THR 6 -7.043 -2.937 7.587 37 H VAL 7 H VAL 7 -3.898 -5.717 5.379 38 HA VAL 7 HA VAL 7 -4.628 -7.221 3.015 39 HB VAL 7 HB VAL 7 -2.185 -6.347 4.388 40 1HG1 VAL 7 1HG1 VAL 7 -0.774 -8.145 3.911 41 2HG1 VAL 7 2HG1 VAL 7 -2.227 -8.937 4.567 42 3HG1 VAL 7 3HG1 VAL 7 -1.947 -8.904 2.810 43 1HG2 VAL 7 1HG2 VAL 7 -1.488 -6.753 1.815 44 2HG2 VAL 7 2HG2 VAL 7 -3.255 -6.642 1.629 45 3HG2 VAL 7 3HG2 VAL 7 -2.351 -5.302 2.375 46 H THR 8 H THR 8 -5.281 -9.320 3.013 47 HA THR 8 HA THR 8 -6.307 -10.676 5.009 48 HB THR 8 HB THR 8 -4.762 -11.466 2.553 49 HG1 THR 8 1HG THR 8 -7.346 -11.975 3.850 50 1HG2 THR 8 1HG2 THR 8 -5.934 -13.559 4.440 51 2HG2 THR 8 2HG2 THR 8 -4.996 -13.830 2.951 52 3HG2 THR 8 3HG2 THR 8 -4.188 -13.201 4.409 53 HA PRO 9 HA PRO 9 -2.364 -12.455 6.752 54 1HB PRO 9 1HB PRO 9 0.040 -12.158 5.489 55 2HB PRO 9 2HB PRO 9 -1.002 -13.559 5.259 56 1HG PRO 9 1HG PRO 9 -0.536 -11.235 3.504 57 2HG PRO 9 2HG PRO 9 -1.198 -12.853 3.072 58 1HD PRO 9 1HD PRO 9 -2.603 -10.377 3.383 59 2HD PRO 9 2HD PRO 9 -3.321 -11.971 3.115 60 H SER 10 H SER 10 0.275 -11.589 7.254 61 HA SER 10 HA SER 10 -0.057 -8.767 7.696 62 1HB SER 10 1HB SER 10 0.013 -10.837 9.886 63 2HB SER 10 2HB SER 10 0.741 -9.247 10.178 64 HG SER 10 HG SER 10 -1.219 -8.334 10.230 65 H SER 11 H SER 11 2.040 -11.256 9.296 66 HA SER 11 HA SER 11 4.296 -9.928 8.027 67 1HB SER 11 1HB SER 11 4.408 -9.821 10.433 68 2HB SER 11 2HB SER 11 4.081 -11.557 10.592 69 HG SER 11 HG SER 11 6.135 -12.039 9.898 70 H GLY 12 H GLY 12 6.199 -11.413 7.472 71 1HA GLY 12 1HA GLY 12 7.082 -13.374 6.709 72 2HA GLY 12 2HA GLY 12 5.595 -14.216 7.100 73 H LEU 13 H LEU 13 5.640 -11.192 5.194 74 HA LEU 13 HA LEU 13 4.301 -12.550 3.052 75 1HB LEU 13 1HB LEU 13 5.216 -9.693 3.342 76 2HB LEU 13 2HB LEU 13 4.153 -10.317 2.070 77 HG LEU 13 HG LEU 13 3.595 -9.797 4.969 78 1HD1 LEU 13 1HD1 LEU 13 1.410 -8.993 3.851 79 2HD1 LEU 13 2HD1 LEU 13 2.892 -8.033 3.627 80 3HD1 LEU 13 3HD1 LEU 13 2.324 -9.110 2.329 81 1HD2 LEU 13 1HD2 LEU 13 2.847 -11.982 5.018 82 2HD2 LEU 13 2HD2 LEU 13 1.385 -11.098 4.518 83 3HD2 LEU 13 3HD2 LEU 13 2.358 -11.969 3.306 84 H SER 14 H SER 14 5.060 -12.172 0.721 85 HA SER 14 HA SER 14 7.968 -12.358 0.659 86 1HB SER 14 1HB SER 14 6.500 -14.527 0.299 87 2HB SER 14 2HB SER 14 6.270 -13.868 -1.329 88 HG SER 14 HG SER 14 8.876 -13.657 -0.862 89 H ASP 15 H ASP 15 8.979 -11.525 -1.317 90 HA ASP 15 HA ASP 15 7.869 -9.207 -2.219 91 1HB ASP 15 1HB ASP 15 10.222 -9.593 -2.462 92 2HB ASP 15 2HB ASP 15 9.964 -11.065 -3.411 93 HD2 ASP 15 HD2 ASP 15 9.058 -7.823 -5.489 94 H GLY 16 H GLY 16 5.594 -9.938 -2.764 95 1HA GLY 16 1HA GLY 16 4.486 -9.835 -4.973 96 2HA GLY 16 2HA GLY 16 5.452 -11.226 -5.427 97 H THR 17 H THR 17 3.900 -10.590 -2.225 98 HA THR 17 HA THR 17 2.575 -13.173 -2.444 99 HB THR 17 HB THR 17 2.917 -11.152 -0.164 100 HG1 THR 17 1HG THR 17 4.757 -12.480 -1.218 101 1HG2 THR 17 1HG2 THR 17 1.317 -12.432 0.879 102 2HG2 THR 17 2HG2 THR 17 1.340 -13.652 -0.417 103 3HG2 THR 17 3HG2 THR 17 2.548 -13.719 0.888 104 H VAL 18 H VAL 18 0.670 -13.291 -3.448 105 HA VAL 18 HA VAL 18 -0.964 -10.978 -3.738 106 HB VAL 18 HB VAL 18 -1.888 -13.782 -4.243 107 1HG1 VAL 18 1HG1 VAL 18 -3.544 -12.375 -4.958 108 2HG1 VAL 18 2HG1 VAL 18 -2.418 -11.043 -5.315 109 3HG1 VAL 18 3HG1 VAL 18 -2.555 -12.418 -6.437 110 1HG2 VAL 18 1HG2 VAL 18 0.510 -12.503 -5.404 111 2HG2 VAL 18 2HG2 VAL 18 0.037 -14.216 -5.340 112 3HG2 VAL 18 3HG2 VAL 18 -0.641 -13.154 -6.594 113 H VAL 19 H VAL 19 -2.485 -10.204 -2.366 114 HA VAL 19 HA VAL 19 -3.774 -12.083 -0.554 115 HB VAL 19 HB VAL 19 -3.298 -10.823 1.394 116 1HG1 VAL 19 1HG1 VAL 19 -1.561 -12.402 0.861 117 2HG1 VAL 19 2HG1 VAL 19 -0.777 -11.245 -0.243 118 3HG1 VAL 19 3HG1 VAL 19 -0.796 -10.932 1.508 119 1HG2 VAL 19 1HG2 VAL 19 -2.554 -8.718 -0.527 120 2HG2 VAL 19 2HG2 VAL 19 -3.191 -8.592 1.130 121 3HG2 VAL 19 3HG2 VAL 19 -1.452 -8.861 0.863 122 H LYS 20 H LYS 20 -5.743 -11.085 0.466 123 HA LYS 20 HA LYS 20 -6.940 -9.270 -1.476 124 1HB LYS 20 1HB LYS 20 -8.860 -10.350 -1.137 125 2HB LYS 20 2HB LYS 20 -7.846 -11.617 -0.424 126 1HG LYS 20 1HG LYS 20 -8.186 -10.646 1.814 127 2HG LYS 20 2HG LYS 20 -9.139 -9.321 1.123 128 1HD LYS 20 1HD LYS 20 -10.853 -10.891 0.376 129 2HD LYS 20 2HD LYS 20 -9.871 -12.277 0.885 130 1HE LYS 20 1HE LYS 20 -9.955 -11.237 3.251 131 2HE LYS 20 2HE LYS 20 -11.238 -10.187 2.629 132 1HZ LYS 20 1HZ LYS 20 -12.393 -11.967 3.394 133 2HZ LYS 20 2HZ LYS 20 -12.188 -12.440 1.844 134 3HZ LYS 20 3HZ LYS 20 -11.243 -13.065 3.021 135 H VAL 21 H VAL 21 -7.260 -7.152 -1.039 136 HA VAL 21 HA VAL 21 -6.782 -6.317 1.726 137 HB VAL 21 HB VAL 21 -6.702 -4.769 -0.871 138 1HG1 VAL 21 1HG1 VAL 21 -6.873 -3.890 1.864 139 2HG1 VAL 21 2HG1 VAL 21 -5.284 -3.441 1.197 140 3HG1 VAL 21 3HG1 VAL 21 -6.773 -2.921 0.375 141 1HG2 VAL 21 1HG2 VAL 21 -4.864 -6.608 -0.012 142 2HG2 VAL 21 2HG2 VAL 21 -4.501 -5.216 -1.060 143 3HG2 VAL 21 3HG2 VAL 21 -4.225 -5.106 0.695 144 H ALA 22 H ALA 22 -8.749 -6.493 2.769 145 HA ALA 22 HA ALA 22 -11.117 -5.533 1.390 146 1HB ALA 22 1HB ALA 22 -11.452 -6.351 4.172 147 2HB ALA 22 2HB ALA 22 -12.172 -7.033 2.694 148 3HB ALA 22 3HB ALA 22 -10.565 -7.576 3.233 149 H GLY 23 H GLY 23 -11.870 -3.486 1.611 150 1HA GLY 23 1HA GLY 23 -10.741 -1.868 3.812 151 2HA GLY 23 2HA GLY 23 -11.261 -1.259 2.253 152 H ALA 24 H ALA 24 -12.394 -2.723 5.335 153 HA ALA 24 HA ALA 24 -15.151 -2.190 4.694 154 1HB ALA 24 1HB ALA 24 -14.030 -4.102 6.151 155 2HB ALA 24 2HB ALA 24 -14.152 -2.886 7.445 156 3HB ALA 24 3HB ALA 24 -15.617 -3.434 6.597 157 H GLY 25 H GLY 25 -16.040 -0.200 4.855 158 1HA GLY 25 1HA GLY 25 -16.498 1.864 5.620 159 2HA GLY 25 2HA GLY 25 -15.803 1.399 7.159 160 H LEU 26 H LEU 26 -14.188 1.482 3.923 161 HA LEU 26 HA LEU 26 -12.272 3.368 5.089 162 1HB LEU 26 1HB LEU 26 -11.441 1.174 4.364 163 2HB LEU 26 2HB LEU 26 -11.972 1.529 2.712 164 HG LEU 26 HG LEU 26 -9.516 1.823 3.184 165 1HD1 LEU 26 1HD1 LEU 26 -9.280 3.726 1.778 166 2HD1 LEU 26 2HD1 LEU 26 -10.774 2.890 1.284 167 3HD1 LEU 26 3HD1 LEU 26 -10.865 4.371 2.270 168 1HD2 LEU 26 1HD2 LEU 26 -8.693 3.256 4.705 169 2HD2 LEU 26 2HD2 LEU 26 -9.938 4.486 4.381 170 3HD2 LEU 26 3HD2 LEU 26 -10.304 3.111 5.450 171 H GLN 27 H GLN 27 -12.675 2.798 1.607 172 HA GLN 27 HA GLN 27 -12.629 5.413 0.943 173 1HB GLN 27 1HB GLN 27 -13.670 2.932 -0.378 174 2HB GLN 27 2HB GLN 27 -14.044 4.484 -1.144 175 1HG GLN 27 1HG GLN 27 -11.830 4.910 -1.662 176 2HG GLN 27 2HG GLN 27 -11.208 4.020 -0.264 177 1HE2 GLN 27 1HE2 GLN 27 -9.819 2.677 -1.221 178 2HE2 GLN 27 2HE2 GLN 27 -10.220 1.473 -2.400 179 H ALA 28 H ALA 28 -15.244 3.617 2.400 180 HA ALA 28 HA ALA 28 -17.220 4.273 3.161 181 1HB ALA 28 1HB ALA 28 -15.805 6.773 2.729 182 2HB ALA 28 2HB ALA 28 -17.543 6.972 2.402 183 3HB ALA 28 3HB ALA 28 -17.000 6.355 3.981 184 H GLY 29 H GLY 29 -16.310 3.863 0.074 185 1HA GLY 29 1HA GLY 29 -18.019 2.966 -1.388 186 2HA GLY 29 2HA GLY 29 -19.046 4.319 -0.955 187 H THR 30 H THR 30 -15.922 5.557 -1.045 188 HA THR 30 HA THR 30 -16.424 6.806 -3.596 189 HB THR 30 HB THR 30 -13.895 7.176 -1.982 190 HG1 THR 30 1HG THR 30 -16.641 8.004 -1.335 191 1HG2 THR 30 1HG2 THR 30 -15.133 9.621 -2.282 192 2HG2 THR 30 2HG2 THR 30 -13.970 8.959 -3.455 193 3HG2 THR 30 3HG2 THR 30 -15.719 8.776 -3.735 194 H ALA 31 H ALA 31 -13.648 7.154 -4.370 195 HA ALA 31 HA ALA 31 -12.903 4.415 -5.085 196 1HB ALA 31 1HB ALA 31 -13.054 4.770 -7.351 197 2HB ALA 31 2HB ALA 31 -14.358 5.859 -6.828 198 3HB ALA 31 3HB ALA 31 -12.749 6.517 -7.211 199 H TYR 32 H TYR 32 -10.851 4.146 -4.379 200 HA TYR 32 HA TYR 32 -9.069 6.483 -4.570 201 1HB TYR 32 1HB TYR 32 -9.452 4.226 -2.524 202 2HB TYR 32 2HB TYR 32 -7.986 5.212 -2.531 203 HD1 TYR 32 1HD TYR 32 -9.563 5.070 -0.102 204 HD2 TYR 32 2HD TYR 32 -10.082 7.614 -3.503 205 HE1 TYR 32 1HE TYR 32 -10.734 6.794 1.357 206 HE2 TYR 32 2HE TYR 32 -11.251 9.328 -2.034 207 HH TYR 32 HH TYR 32 -12.573 8.717 0.741 208 H ASP 33 H ASP 33 -6.699 5.846 -4.665 209 HA ASP 33 HA ASP 33 -6.484 3.745 -6.602 210 1HB ASP 33 1HB ASP 33 -4.812 6.025 -5.629 211 2HB ASP 33 2HB ASP 33 -3.924 4.636 -6.271 212 HD2 ASP 33 HD2 ASP 33 -4.427 6.770 -9.068 213 H VAL 34 H VAL 34 -5.916 1.659 -5.972 214 HA VAL 34 HA VAL 34 -5.063 1.195 -3.277 215 HB VAL 34 HB VAL 34 -5.438 -0.663 -5.636 216 1HG1 VAL 34 1HG1 VAL 34 -5.823 -1.950 -3.110 217 2HG1 VAL 34 2HG1 VAL 34 -4.615 -2.299 -4.368 218 3HG1 VAL 34 3HG1 VAL 34 -4.247 -1.125 -3.083 219 1HG2 VAL 34 1HG2 VAL 34 -7.449 0.697 -4.778 220 2HG2 VAL 34 2HG2 VAL 34 -7.630 -1.070 -4.888 221 3HG2 VAL 34 3HG2 VAL 34 -7.334 -0.303 -3.310 222 H GLY 35 H GLY 35 -3.012 0.825 -2.529 223 1HA GLY 35 1HA GLY 35 -0.894 -0.220 -3.980 224 2HA GLY 35 2HA GLY 35 -0.812 1.519 -4.181 225 H GLN 36 H GLN 36 1.044 -0.298 -2.709 226 HA GLN 36 HA GLN 36 0.545 0.461 0.033 227 1HB GLN 36 1HB GLN 36 2.280 -1.097 0.618 228 2HB GLN 36 2HB GLN 36 1.267 -1.885 -0.604 229 1HG GLN 36 1HG GLN 36 3.361 -0.386 -1.917 230 2HG GLN 36 2HG GLN 36 4.091 -1.413 -0.674 231 1HE2 GLN 36 1HE2 GLN 36 4.058 -1.480 -3.659 232 2HE2 GLN 36 2HE2 GLN 36 3.530 -3.070 -4.101 233 H CYS 37 H CYS 37 1.296 2.405 0.746 234 HA CYS 37 HA CYS 37 3.669 3.462 -0.598 235 1HB CYS 37 1HB CYS 37 1.305 4.659 -0.452 236 2HB CYS 37 2HB CYS 37 1.941 5.193 1.105 237 H ALA 38 H ALA 38 5.378 4.351 0.760 238 HA ALA 38 HA ALA 38 5.197 4.338 3.572 239 1HB ALA 38 1HB ALA 38 6.230 1.878 2.192 240 2HB ALA 38 2HB ALA 38 7.063 2.436 3.663 241 3HB ALA 38 3HB ALA 38 5.330 2.034 3.720 242 H TRP 39 H TRP 39 7.328 4.950 4.555 243 HA TRP 39 HA TRP 39 8.633 6.817 2.872 244 1HB TRP 39 1HB TRP 39 10.165 7.003 4.897 245 2HB TRP 39 2HB TRP 39 8.472 7.463 5.087 246 HD1 TRP 39 HD TRP 39 10.902 4.610 6.082 247 HE1 TRP 39 1HE TRP 39 9.986 3.275 8.166 248 HE3 TRP 39 3HE TRP 39 6.397 6.963 6.269 249 HZ2 TRP 39 2HZ TRP 39 7.535 3.352 9.625 250 HZ3 TRP 39 3HZ TRP 39 4.801 6.273 8.055 251 HH2 TRP 39 HH TRP 39 5.309 4.535 9.698 252 H VAL 40 H VAL 40 10.029 6.205 1.272 253 HA VAL 40 HA VAL 40 11.520 3.728 1.643 254 HB VAL 40 HB VAL 40 10.107 4.617 -0.450 255 1HG1 VAL 40 1HG1 VAL 40 11.563 5.518 -2.187 256 2HG1 VAL 40 2HG1 VAL 40 11.545 6.603 -0.773 257 3HG1 VAL 40 3HG1 VAL 40 12.940 5.532 -1.055 258 1HG2 VAL 40 1HG2 VAL 40 12.036 3.213 -1.785 259 2HG2 VAL 40 2HG2 VAL 40 12.355 2.735 -0.101 260 3HG2 VAL 40 3HG2 VAL 40 10.742 2.482 -0.805 261 H ASP 41 H ASP 41 11.965 7.254 0.981 262 HA ASP 41 HA ASP 41 14.803 6.908 1.225 263 1HB ASP 41 1HB ASP 41 13.085 8.725 -0.079 264 2HB ASP 41 2HB ASP 41 13.835 9.679 1.210 265 HD2 ASP 41 HD2 ASP 41 16.997 9.388 -0.309 266 H THR 42 H THR 42 15.386 9.480 2.474 267 HA THR 42 HA THR 42 15.150 8.762 5.202 268 HB THR 42 HB THR 42 16.146 11.183 3.634 269 HG1 THR 42 1HG THR 42 17.520 9.341 3.651 270 1HG2 THR 42 1HG2 THR 42 15.419 11.116 6.446 271 2HG2 THR 42 2HG2 THR 42 17.192 11.124 6.308 272 3HG2 THR 42 3HG2 THR 42 16.233 12.420 5.551 273 H GLY 43 H GLY 43 12.880 8.444 5.547 274 1HA GLY 43 1HA GLY 43 10.913 9.125 6.401 275 2HA GLY 43 2HA GLY 43 11.617 10.710 6.656 276 H VAL 44 H VAL 44 11.648 9.280 3.409 277 HA VAL 44 HA VAL 44 9.709 11.323 2.605 278 HB VAL 44 HB VAL 44 11.868 9.830 1.107 279 1HG1 VAL 44 1HG1 VAL 44 9.762 10.244 -0.241 280 2HG1 VAL 44 2HG1 VAL 44 10.064 11.987 -0.024 281 3HG1 VAL 44 3HG1 VAL 44 11.251 10.977 -0.889 282 1HG2 VAL 44 1HG2 VAL 44 11.962 12.727 0.995 283 2HG2 VAL 44 2HG2 VAL 44 11.963 12.155 2.682 284 3HG2 VAL 44 3HG2 VAL 44 13.198 11.571 1.542 285 H LEU 45 H LEU 45 7.658 10.557 2.516 286 HA LEU 45 HA LEU 45 7.057 7.830 2.349 287 1HB LEU 45 1HB LEU 45 5.725 10.276 2.771 288 2HB LEU 45 2HB LEU 45 4.886 9.463 1.437 289 HG LEU 45 HG LEU 45 5.517 7.966 3.966 290 1HD1 LEU 45 1HD1 LEU 45 4.479 9.758 4.997 291 2HD1 LEU 45 2HD1 LEU 45 3.413 10.080 3.607 292 3HD1 LEU 45 3HD1 LEU 45 3.110 8.674 4.655 293 1HD2 LEU 45 1HD2 LEU 45 4.705 6.622 2.168 294 2HD2 LEU 45 2HD2 LEU 45 3.381 6.808 3.345 295 3HD2 LEU 45 3HD2 LEU 45 3.374 7.758 1.839 296 H ALA 46 H ALA 46 7.871 6.680 0.634 297 HA ALA 46 HA ALA 46 7.252 7.751 -2.031 298 1HB ALA 46 1HB ALA 46 9.605 6.465 -0.829 299 2HB ALA 46 2HB ALA 46 9.093 5.694 -2.349 300 3HB ALA 46 3HB ALA 46 9.471 7.434 -2.317 301 H CYS 47 H CYS 47 6.102 6.468 -3.495 302 HA CYS 47 HA CYS 47 4.900 4.105 -2.275 303 1HB CYS 47 1HB CYS 47 3.925 5.609 -4.697 304 2HB CYS 47 2HB CYS 47 3.060 4.384 -3.764 305 H ASN 48 H ASN 48 4.621 2.176 -3.709 306 HA ASN 48 HA ASN 48 6.980 1.830 -5.276 307 1HB ASN 48 1HB ASN 48 4.699 -0.169 -5.014 308 2HB ASN 48 2HB ASN 48 6.420 -0.509 -5.251 309 1HD2 ASN 48 1HD2 ASN 48 7.028 1.713 -3.300 310 2HD2 ASN 48 2HD2 ASN 48 6.810 1.023 -1.725 311 HA PRO 49 HA PRO 49 4.968 2.061 -9.173 312 1HB PRO 49 1HB PRO 49 5.991 -0.007 -10.635 313 2HB PRO 49 2HB PRO 49 6.861 1.499 -10.354 314 1HG PRO 49 1HG PRO 49 7.212 -1.154 -9.114 315 2HG PRO 49 2HG PRO 49 8.382 0.214 -9.188 316 1HD PRO 49 1HD PRO 49 6.810 -0.669 -6.964 317 2HD PRO 49 2HD PRO 49 7.821 0.779 -7.030 318 H ALA 50 H ALA 50 4.350 -0.568 -7.217 319 HA ALA 50 HA ALA 50 2.179 -1.423 -8.997 320 1HB ALA 50 1HB ALA 50 2.426 -3.538 -8.133 321 2HB ALA 50 2HB ALA 50 4.086 -2.952 -7.866 322 3HB ALA 50 3HB ALA 50 2.912 -2.945 -6.528 323 H ASP 51 H ASP 51 2.548 0.987 -6.974 324 HA ASP 51 HA ASP 51 0.476 0.328 -5.101 325 1HB ASP 51 1HB ASP 51 2.054 1.684 -4.071 326 2HB ASP 51 2HB ASP 51 2.393 2.603 -5.546 327 HD2 ASP 51 HD2 ASP 51 -0.063 4.941 -4.810 328 H PHE 52 H PHE 52 0.436 0.944 -8.300 329 HA PHE 52 HA PHE 52 -1.711 2.935 -8.188 330 1HB PHE 52 1HB PHE 52 -0.319 1.810 -10.658 331 2HB PHE 52 2HB PHE 52 -1.064 3.402 -10.473 332 HD1 PHE 52 1HD PHE 52 1.890 2.158 -11.205 333 HD2 PHE 52 2HD PHE 52 0.184 4.434 -8.057 334 HE1 PHE 52 1HE PHE 52 4.145 3.134 -10.692 335 HE2 PHE 52 2HE PHE 52 2.437 5.411 -7.543 336 HZ PHE 52 HZ PHE 52 4.391 4.750 -8.867 337 H SER 53 H SER 53 -3.473 1.586 -7.604 338 HA SER 53 HA SER 53 -4.329 -0.088 -9.791 339 1HB SER 53 1HB SER 53 -3.322 -1.137 -7.310 340 2HB SER 53 2HB SER 53 -5.060 -1.476 -7.388 341 HG SER 53 HG SER 53 -2.970 -2.255 -9.216 342 H SER 54 H SER 54 -5.754 1.833 -10.048 343 HA SER 54 HA SER 54 -7.315 2.941 -8.179 344 1HB SER 54 1HB SER 54 -8.938 3.419 -10.019 345 2HB SER 54 2HB SER 54 -7.256 3.740 -10.483 346 HG SER 54 HG SER 54 -9.091 1.992 -11.581 347 H VAL 55 H VAL 55 -9.309 2.496 -7.144 348 HA VAL 55 HA VAL 55 -10.903 0.273 -7.912 349 HB VAL 55 HB VAL 55 -8.706 -0.437 -6.458 350 1HG1 VAL 55 1HG1 VAL 55 -9.492 -0.968 -4.172 351 2HG1 VAL 55 2HG1 VAL 55 -9.417 0.784 -4.474 352 3HG1 VAL 55 3HG1 VAL 55 -10.988 -0.055 -4.489 353 1HG2 VAL 55 1HG2 VAL 55 -10.378 -2.416 -5.744 354 2HG2 VAL 55 2HG2 VAL 55 -11.391 -1.620 -6.971 355 3HG2 VAL 55 3HG2 VAL 55 -9.772 -2.215 -7.404 356 H THR 56 H THR 56 -12.818 0.058 -6.414 357 HA THR 56 HA THR 56 -13.199 2.475 -4.790 358 HB THR 56 HB THR 56 -14.424 1.826 -7.358 359 HG1 THR 56 1HG THR 56 -15.360 4.028 -6.647 360 1HG2 THR 56 1HG2 THR 56 -16.762 2.118 -6.787 361 2HG2 THR 56 2HG2 THR 56 -16.182 0.775 -5.775 362 3HG2 THR 56 3HG2 THR 56 -16.373 2.400 -5.075 363 H ALA 57 H ALA 57 -14.966 2.288 -3.208 364 HA ALA 57 HA ALA 57 -15.190 -0.512 -2.355 365 1HB ALA 57 1HB ALA 57 -15.433 0.390 -0.101 366 2HB ALA 57 2HB ALA 57 -13.972 1.073 -0.854 367 3HB ALA 57 3HB ALA 57 -15.454 2.052 -0.737 368 H ASP 58 H ASP 58 -17.259 -1.239 -1.489 369 HA ASP 58 HA ASP 58 -19.371 -0.416 -3.086 370 1HB ASP 58 1HB ASP 58 -19.851 -1.779 -0.442 371 2HB ASP 58 2HB ASP 58 -20.598 -2.111 -2.013 372 HD2 ASP 58 HD2 ASP 58 -17.198 -3.669 -2.595 373 H ALA 59 H ALA 59 -21.525 0.469 -2.230 374 HA ALA 59 HA ALA 59 -21.358 2.895 -1.106 375 1HB ALA 59 1HB ALA 59 -23.559 0.808 -0.875 376 2HB ALA 59 2HB ALA 59 -23.767 2.517 -0.417 377 3HB ALA 59 3HB ALA 59 -23.396 2.086 -2.105 378 H ASN 60 H ASN 60 -21.147 -0.239 0.543 379 HA ASN 60 HA ASN 60 -21.438 0.998 3.108 380 1HB ASN 60 1HB ASN 60 -21.929 -1.539 2.162 381 2HB ASN 60 2HB ASN 60 -20.347 -1.785 2.913 382 1HD2 ASN 60 1HD2 ASN 60 -23.011 -2.772 3.635 383 2HD2 ASN 60 2HD2 ASN 60 -23.318 -2.275 5.264 384 H GLY 61 H GLY 61 -19.255 1.978 1.404 385 1HA GLY 61 1HA GLY 61 -17.007 2.241 1.312 386 2HA GLY 61 2HA GLY 61 -17.153 2.256 3.059 387 H SER 62 H SER 62 -17.723 -0.503 0.786 388 HA SER 62 HA SER 62 -15.626 -1.899 2.249 389 1HB SER 62 1HB SER 62 -17.901 -3.080 0.608 390 2HB SER 62 2HB SER 62 -16.773 -3.979 1.638 391 HG SER 62 HG SER 62 -17.791 -3.254 3.448 392 H ALA 63 H ALA 63 -13.741 -1.591 1.065 393 HA ALA 63 HA ALA 63 -13.936 -1.962 -1.838 394 1HB ALA 63 1HB ALA 63 -11.377 -1.007 -1.136 395 2HB ALA 63 2HB ALA 63 -12.711 -0.078 -1.859 396 3HB ALA 63 3HB ALA 63 -12.514 -0.124 -0.091 397 H SER 64 H SER 64 -14.017 -4.279 -1.790 398 HA SER 64 HA SER 64 -11.844 -5.602 -0.453 399 1HB SER 64 1HB SER 64 -13.006 -7.667 -1.487 400 2HB SER 64 2HB SER 64 -13.893 -6.770 -0.242 401 HG SER 64 HG SER 64 -14.256 -6.027 -2.973 402 H THR 65 H THR 65 -10.135 -4.564 -1.811 403 HA THR 65 HA THR 65 -10.037 -5.678 -4.533 404 HB THR 65 HB THR 65 -9.972 -3.091 -3.952 405 HG1 THR 65 1HG THR 65 -7.910 -4.515 -5.485 406 1HG2 THR 65 1HG2 THR 65 -7.002 -3.547 -3.881 407 2HG2 THR 65 2HG2 THR 65 -7.949 -2.195 -3.218 408 3HG2 THR 65 3HG2 THR 65 -7.870 -3.741 -2.339 409 H SER 66 H SER 66 -8.324 -6.915 -5.231 410 HA SER 66 HA SER 66 -6.626 -7.816 -3.051 411 1HB SER 66 1HB SER 66 -6.349 -9.867 -4.260 412 2HB SER 66 2HB SER 66 -8.077 -9.479 -4.319 413 HG SER 66 HG SER 66 -7.488 -8.427 -6.473 414 H LEU 67 H LEU 67 -4.344 -7.760 -3.241 415 HA LEU 67 HA LEU 67 -3.227 -6.867 -5.767 416 1HB LEU 67 1HB LEU 67 -3.788 -5.071 -3.677 417 2HB LEU 67 2HB LEU 67 -2.035 -5.322 -3.666 418 HG LEU 67 HG LEU 67 -2.530 -3.409 -5.012 419 1HD1 LEU 67 1HD1 LEU 67 -1.881 -5.776 -6.791 420 2HD1 LEU 67 2HD1 LEU 67 -1.599 -4.065 -7.192 421 3HD1 LEU 67 3HD1 LEU 67 -0.727 -4.818 -5.835 422 1HD2 LEU 67 1HD2 LEU 67 -4.936 -4.121 -5.436 423 2HD2 LEU 67 2HD2 LEU 67 -4.093 -3.299 -6.769 424 3HD2 LEU 67 3HD2 LEU 67 -4.306 -5.066 -6.807 425 H THR 68 H THR 68 -0.712 -6.863 -5.557 426 HA THR 68 HA THR 68 -0.021 -9.238 -3.966 427 HB THR 68 HB THR 68 0.160 -9.342 -6.492 428 HG1 THR 68 1HG THR 68 1.610 -10.592 -5.158 429 1HG2 THR 68 1HG2 THR 68 2.689 -7.834 -6.533 430 2HG2 THR 68 2HG2 THR 68 1.339 -7.788 -7.691 431 3HG2 THR 68 3HG2 THR 68 1.297 -6.768 -6.233 432 H VAL 69 H VAL 69 1.515 -9.192 -2.411 433 HA VAL 69 HA VAL 69 2.502 -6.555 -1.721 434 HB VAL 69 HB VAL 69 2.576 -9.239 -0.329 435 1HG1 VAL 69 1HG1 VAL 69 3.897 -8.418 1.302 436 2HG1 VAL 69 2HG1 VAL 69 4.385 -7.220 0.081 437 3HG1 VAL 69 3HG1 VAL 69 3.117 -6.818 1.265 438 1HG2 VAL 69 1HG2 VAL 69 0.955 -8.174 1.216 439 2HG2 VAL 69 2HG2 VAL 69 0.931 -6.734 0.170 440 3HG2 VAL 69 3HG2 VAL 69 0.338 -8.292 -0.450 441 H ARG 70 H ARG 70 4.015 -6.197 -3.441 442 HA ARG 70 HA ARG 70 6.118 -8.131 -3.687 443 1HB ARG 70 1HB ARG 70 5.132 -5.768 -5.212 444 2HB ARG 70 2HB ARG 70 6.886 -6.017 -5.284 445 1HG ARG 70 1HG ARG 70 6.257 -8.507 -5.809 446 2HG ARG 70 2HG ARG 70 4.653 -7.858 -6.199 447 1HD ARG 70 1HD ARG 70 5.454 -7.366 -8.253 448 2HD ARG 70 2HD ARG 70 6.484 -6.136 -7.506 449 HE ARG 70 HE ARG 70 7.845 -8.558 -7.155 450 1HH1 ARG 70 1HH1 ARG 70 6.649 -6.708 -9.900 451 2HH1 ARG 70 2HH1 ARG 70 7.873 -7.285 -10.982 452 1HH2 ARG 70 1HH2 ARG 70 9.458 -9.319 -8.583 453 2HH2 ARG 70 2HH2 ARG 70 9.481 -8.779 -10.229 454 H ARG 71 H ARG 71 6.781 -7.724 -1.336 455 HA ARG 71 HA ARG 71 7.514 -5.524 -0.163 456 1HB ARG 71 1HB ARG 71 7.928 -7.939 0.576 457 2HB ARG 71 2HB ARG 71 9.458 -7.877 -0.316 458 1HG ARG 71 1HG ARG 71 10.127 -5.897 1.064 459 2HG ARG 71 2HG ARG 71 8.629 -6.062 1.998 460 1HD ARG 71 1HD ARG 71 10.785 -8.204 1.726 461 2HD ARG 71 2HD ARG 71 10.608 -7.130 3.123 462 HE ARG 71 HE ARG 71 8.143 -8.543 2.512 463 1HH1 ARG 71 1HH1 ARG 71 11.271 -8.885 4.084 464 2HH1 ARG 71 2HH1 ARG 71 10.735 -10.129 5.165 465 1HH2 ARG 71 1HH2 ARG 71 7.435 -10.183 3.938 466 2HH2 ARG 71 2HH2 ARG 71 8.538 -10.869 5.080 467 H SER 72 H SER 72 9.167 -6.965 -2.980 468 HA SER 72 HA SER 72 11.233 -4.948 -2.798 469 1HB SER 72 1HB SER 72 12.556 -6.340 -4.038 470 2HB SER 72 2HB SER 72 11.441 -7.573 -3.422 471 HG SER 72 HG SER 72 11.470 -6.284 -6.005 472 H PHE 73 H PHE 73 11.050 -3.063 -3.955 473 HA PHE 73 HA PHE 73 10.018 -3.050 -6.589 474 1HB PHE 73 1HB PHE 73 8.190 -1.285 -5.718 475 2HB PHE 73 2HB PHE 73 7.815 -3.011 -5.692 476 HD1 PHE 73 1HD PHE 73 6.448 -3.361 -3.857 477 HD2 PHE 73 2HD PHE 73 9.890 -0.923 -3.401 478 HE1 PHE 73 1HE PHE 73 6.013 -3.212 -1.391 479 HE2 PHE 73 2HE PHE 73 9.456 -0.772 -0.932 480 HZ PHE 73 HZ PHE 73 7.523 -1.918 0.044 481 H GLU 74 H GLU 74 9.806 -0.651 -7.379 482 HA GLU 74 HA GLU 74 12.112 0.690 -6.292 483 1HB GLU 74 1HB GLU 74 11.842 0.294 -8.754 484 2HB GLU 74 2HB GLU 74 10.449 1.391 -8.751 485 1HG GLU 74 1HG GLU 74 12.077 2.918 -9.294 486 2HG GLU 74 2HG GLU 74 12.257 3.002 -7.534 487 HE2 GLU 74 HE2 GLU 74 14.935 0.651 -9.332 488 H GLY 75 H GLY 75 11.799 2.114 -4.636 489 1HA GLY 75 1HA GLY 75 9.259 3.200 -4.005 490 2HA GLY 75 2HA GLY 75 10.804 3.626 -3.298 491 H PHE 76 H PHE 76 8.357 5.211 -4.424 492 HA PHE 76 HA PHE 76 9.968 6.984 -6.123 493 1HB PHE 76 1HB PHE 76 7.142 5.903 -6.220 494 2HB PHE 76 2HB PHE 76 7.372 7.563 -6.777 495 HD1 PHE 76 1HD PHE 76 9.358 4.421 -7.186 496 HD2 PHE 76 2HD PHE 76 7.319 7.627 -9.076 497 HE1 PHE 76 1HE PHE 76 10.072 3.553 -9.429 498 HE2 PHE 76 2HE PHE 76 8.035 6.757 -11.320 499 HZ PHE 76 HZ PHE 76 9.401 4.730 -11.470 500 H LEU 77 H LEU 77 10.525 8.738 -4.912 501 HA LEU 77 HA LEU 77 9.212 9.491 -2.581 502 1HB LEU 77 1HB LEU 77 10.920 11.190 -4.390 503 2HB LEU 77 2HB LEU 77 10.583 11.472 -2.674 504 HG LEU 77 HG LEU 77 12.570 10.490 -2.359 505 1HD1 LEU 77 1HD1 LEU 77 12.497 8.182 -1.881 506 2HD1 LEU 77 2HD1 LEU 77 10.839 8.777 -1.637 507 3HD1 LEU 77 3HD1 LEU 77 11.252 7.881 -3.117 508 1HD2 LEU 77 1HD2 LEU 77 12.887 10.583 -4.904 509 2HD2 LEU 77 2HD2 LEU 77 13.880 9.430 -3.980 510 3HD2 LEU 77 3HD2 LEU 77 12.462 8.855 -4.888 511 H PHE 78 H PHE 78 7.476 10.791 -2.128 512 HA PHE 78 HA PHE 78 5.611 11.280 -4.115 513 1HB PHE 78 1HB PHE 78 4.413 12.278 -2.290 514 2HB PHE 78 2HB PHE 78 5.506 11.154 -1.475 515 HD1 PHE 78 1HD PHE 78 4.276 14.421 -1.485 516 HD2 PHE 78 2HD PHE 78 7.854 12.234 -0.836 517 HE1 PHE 78 1HE PHE 78 5.188 16.318 -0.118 518 HE2 PHE 78 2HE PHE 78 8.767 14.131 0.529 519 HZ PHE 78 HZ PHE 78 7.422 16.150 0.871 520 H ASP 79 H ASP 79 8.456 13.088 -3.150 521 HA ASP 79 HA ASP 79 7.659 15.634 -3.760 522 1HB ASP 79 1HB ASP 79 10.091 14.217 -3.243 523 2HB ASP 79 2HB ASP 79 10.368 15.194 -4.693 524 HD2 ASP 79 HD2 ASP 79 10.369 18.135 -2.878 525 H GLY 80 H GLY 80 9.293 13.111 -5.825 526 1HA GLY 80 1HA GLY 80 7.899 13.314 -8.112 527 2HA GLY 80 2HA GLY 80 8.959 14.704 -8.222 528 H THR 81 H THR 81 11.096 13.283 -6.549 529 HA THR 81 HA THR 81 12.335 11.942 -8.792 530 HB THR 81 HB THR 81 13.713 13.490 -7.555 531 HG1 THR 81 1HG THR 81 14.832 11.513 -7.964 532 1HG2 THR 81 1HG2 THR 81 13.199 13.917 -5.364 533 2HG2 THR 81 2HG2 THR 81 12.224 12.432 -5.248 534 3HG2 THR 81 3HG2 THR 81 13.984 12.368 -4.972 535 H ARG 82 H ARG 82 13.174 9.800 -8.783 536 HA ARG 82 HA ARG 82 11.511 8.093 -7.146 537 1HB ARG 82 1HB ARG 82 13.233 7.508 -9.598 538 2HB ARG 82 2HB ARG 82 12.255 6.289 -8.762 539 1HG ARG 82 1HG ARG 82 10.588 6.884 -10.170 540 2HG ARG 82 2HG ARG 82 10.443 8.370 -9.213 541 1HD ARG 82 1HD ARG 82 12.413 9.197 -10.797 542 2HD ARG 82 2HD ARG 82 11.817 7.921 -11.869 543 HE ARG 82 HE ARG 82 9.726 9.694 -10.813 544 1HH1 ARG 82 1HH1 ARG 82 12.048 9.169 -13.406 545 2HH1 ARG 82 2HH1 ARG 82 11.199 10.165 -14.539 546 1HH2 ARG 82 1HH2 ARG 82 8.606 11.008 -12.310 547 2HH2 ARG 82 2HH2 ARG 82 9.229 11.219 -13.914 548 H TRP 83 H TRP 83 12.398 6.550 -5.695 549 HA TRP 83 HA TRP 83 15.254 6.916 -5.165 550 1HB TRP 83 1HB TRP 83 13.882 7.416 -3.295 551 2HB TRP 83 2HB TRP 83 12.963 5.919 -3.471 552 HD1 TRP 83 HD TRP 83 13.895 3.849 -2.123 553 HE1 TRP 83 1HE TRP 83 15.993 3.284 -0.624 554 HE3 TRP 83 3HE TRP 83 16.470 8.097 -3.206 555 HZ2 TRP 83 2HZ TRP 83 18.437 4.648 -0.071 556 HZ3 TRP 83 3HZ TRP 83 18.703 8.403 -2.143 557 HH2 TRP 83 HH TRP 83 19.692 6.764 -0.624 558 H GLY 84 H GLY 84 13.218 4.108 -4.267 559 1HA GLY 84 1HA GLY 84 13.356 2.245 -6.055 560 2HA GLY 84 2HA GLY 84 15.076 2.379 -5.749 561 H THR 85 H THR 85 15.887 2.012 -3.507 562 HA THR 85 HA THR 85 15.976 0.882 -1.592 563 HB THR 85 HB THR 85 13.019 1.492 -1.818 564 HG1 THR 85 1HG THR 85 15.019 1.872 0.279 565 1HG2 THR 85 1HG2 THR 85 12.797 -0.576 -0.631 566 2HG2 THR 85 2HG2 THR 85 14.370 -0.375 0.176 567 3HG2 THR 85 3HG2 THR 85 12.987 0.632 0.660 568 H VAL 86 H VAL 86 13.195 -0.466 -3.497 569 HA VAL 86 HA VAL 86 12.935 -2.485 -4.387 570 HB VAL 86 HB VAL 86 15.757 -3.038 -3.448 571 1HG1 VAL 86 1HG1 VAL 86 14.612 -5.122 -3.834 572 2HG1 VAL 86 2HG1 VAL 86 13.948 -4.529 -5.376 573 3HG1 VAL 86 3HG1 VAL 86 15.696 -4.818 -5.211 574 1HG2 VAL 86 1HG2 VAL 86 15.629 -1.132 -5.001 575 2HG2 VAL 86 2HG2 VAL 86 16.426 -2.536 -5.751 576 3HG2 VAL 86 3HG2 VAL 86 14.741 -2.143 -6.167 577 H ASP 87 H ASP 87 15.070 -4.132 -2.154 578 HA ASP 87 HA ASP 87 13.091 -5.655 -1.091 579 1HB ASP 87 1HB ASP 87 15.812 -5.559 -0.902 580 2HB ASP 87 2HB ASP 87 15.381 -5.000 0.721 581 HD2 ASP 87 HD2 ASP 87 15.640 -8.697 0.449 582 H CYS 88 H CYS 88 11.300 -4.816 0.014 583 HA CYS 88 HA CYS 88 11.641 -2.463 1.639 584 1HB CYS 88 1HB CYS 88 9.709 -2.661 0.178 585 2HB CYS 88 2HB CYS 88 9.188 -4.122 1.020 586 H THR 89 H THR 89 13.255 -4.451 2.665 587 HA THR 89 HA THR 89 11.728 -5.821 4.744 588 HB THR 89 HB THR 89 13.416 -7.055 3.344 589 HG1 THR 89 1HG THR 89 13.218 -7.877 5.446 590 1HG2 THR 89 1HG2 THR 89 15.253 -5.669 2.860 591 2HG2 THR 89 2HG2 THR 89 15.192 -4.867 4.448 592 3HG2 THR 89 3HG2 THR 89 15.867 -6.507 4.305 593 H THR 90 H THR 90 13.627 -2.947 4.225 594 HA THR 90 HA THR 90 14.262 -2.712 7.053 595 HB THR 90 HB THR 90 14.866 -1.094 4.531 596 HG1 THR 90 1HG THR 90 16.999 -1.926 5.171 597 1HG2 THR 90 1HG2 THR 90 14.788 -0.090 7.210 598 2HG2 THR 90 2HG2 THR 90 16.498 -0.445 6.860 599 3HG2 THR 90 3HG2 THR 90 15.583 0.661 5.805 600 H ALA 91 H ALA 91 12.431 -0.805 4.565 601 HA ALA 91 HA ALA 91 11.087 0.570 6.742 602 1HB ALA 91 1HB ALA 91 11.497 2.177 5.182 603 2HB ALA 91 2HB ALA 91 11.603 0.999 3.851 604 3HB ALA 91 3HB ALA 91 10.011 1.549 4.429 605 H ALA 92 H ALA 92 8.789 0.540 7.032 606 HA ALA 92 HA ALA 92 7.635 -1.997 6.263 607 1HB ALA 92 1HB ALA 92 6.708 -1.757 8.293 608 2HB ALA 92 2HB ALA 92 7.421 -0.133 8.439 609 3HB ALA 92 3HB ALA 92 5.810 -0.335 7.708 610 H CYS 93 H CYS 93 6.315 -2.280 4.537 611 HA CYS 93 HA CYS 93 5.533 0.091 3.082 612 1HB CYS 93 1HB CYS 93 4.612 -2.388 1.931 613 2HB CYS 93 2HB CYS 93 5.699 -1.167 1.265 614 H GLN 94 H GLN 94 3.516 0.986 3.350 615 HA GLN 94 HA GLN 94 1.585 -0.604 4.805 616 1HB GLN 94 1HB GLN 94 1.821 2.358 4.197 617 2HB GLN 94 2HB GLN 94 0.364 1.664 4.932 618 1HG GLN 94 1HG GLN 94 1.416 1.253 6.938 619 2HG GLN 94 2HG GLN 94 2.985 0.928 6.186 620 1HE2 GLN 94 1HE2 GLN 94 2.686 2.469 8.461 621 2HE2 GLN 94 2HE2 GLN 94 3.099 4.118 8.130 622 H VAL 95 H VAL 95 0.140 -1.770 3.617 623 HA VAL 95 HA VAL 95 -0.399 -0.938 0.895 624 HB VAL 95 HB VAL 95 -1.572 -3.319 2.302 625 1HG1 VAL 95 1HG1 VAL 95 -2.220 -3.926 0.252 626 2HG1 VAL 95 2HG1 VAL 95 -1.705 -2.321 -0.315 627 3HG1 VAL 95 3HG1 VAL 95 -0.579 -3.697 -0.402 628 1HG2 VAL 95 1HG2 VAL 95 0.633 -3.704 2.903 629 2HG2 VAL 95 2HG2 VAL 95 0.541 -4.514 1.322 630 3HG2 VAL 95 3HG2 VAL 95 1.284 -2.901 1.456 631 H GLY 96 H GLY 96 -2.174 0.194 0.275 632 1HA GLY 96 1HA GLY 96 -4.709 -0.083 1.476 633 2HA GLY 96 2HA GLY 96 -3.916 1.336 2.132 634 H LEU 97 H LEU 97 -6.220 1.743 0.686 635 HA LEU 97 HA LEU 97 -5.267 2.586 -1.957 636 1HB LEU 97 1HB LEU 97 -8.028 2.843 -1.870 637 2HB LEU 97 2HB LEU 97 -7.084 1.597 -2.703 638 HG LEU 97 HG LEU 97 -8.824 0.566 -1.404 639 1HD1 LEU 97 1HD1 LEU 97 -6.162 -0.126 -1.276 640 2HD1 LEU 97 2HD1 LEU 97 -6.658 -0.149 0.434 641 3HD1 LEU 97 3HD1 LEU 97 -7.532 -1.137 -0.760 642 1HD2 LEU 97 1HD2 LEU 97 -9.590 1.468 0.468 643 2HD2 LEU 97 2HD2 LEU 97 -8.066 1.058 1.290 644 3HD2 LEU 97 3HD2 LEU 97 -8.244 2.633 0.480 645 H SER 98 H SER 98 -4.653 4.673 -2.055 646 HA SER 98 HA SER 98 -5.854 6.475 -0.131 647 1HB SER 98 1HB SER 98 -3.345 6.299 -0.388 648 2HB SER 98 2HB SER 98 -3.510 6.987 -2.012 649 HG SER 98 HG SER 98 -4.380 8.908 -1.068 650 H ASP 99 H ASP 99 -6.327 8.787 -0.989 651 HA ASP 99 HA ASP 99 -8.287 8.678 -2.844 652 1HB ASP 99 1HB ASP 99 -6.591 11.163 -2.659 653 2HB ASP 99 2HB ASP 99 -8.356 11.027 -2.690 654 HD2 ASP 99 HD2 ASP 99 -7.180 11.891 0.664 655 H ALA 100 H ALA 100 -8.300 9.874 -5.072 656 HA ALA 100 HA ALA 100 -6.602 8.675 -6.844 657 1HB ALA 100 1HB ALA 100 -7.301 10.914 -8.198 658 2HB ALA 100 2HB ALA 100 -8.426 9.567 -7.898 659 3HB ALA 100 3HB ALA 100 -8.463 11.006 -6.852 660 H ALA 101 H ALA 101 -6.228 11.770 -5.061 661 HA ALA 101 HA ALA 101 -3.894 12.541 -6.487 662 1HB ALA 101 1HB ALA 101 -3.718 14.172 -4.541 663 2HB ALA 101 2HB ALA 101 -5.245 14.232 -5.456 664 3HB ALA 101 3HB ALA 101 -5.186 13.412 -3.877 665 H GLY 102 H GLY 102 -4.630 10.431 -3.746 666 1HA GLY 102 1HA GLY 102 -3.166 8.790 -2.999 667 2HA GLY 102 2HA GLY 102 -1.801 9.697 -3.617 668 H ASN 103 H ASN 103 -4.258 11.513 -1.875 669 HA ASN 103 HA ASN 103 -2.311 12.020 0.171 670 1HB ASN 103 1HB ASN 103 -5.124 13.147 -0.237 671 2HB ASN 103 2HB ASN 103 -3.927 13.783 0.901 672 1HD2 ASN 103 1HD2 ASN 103 -1.673 14.039 -0.265 673 2HD2 ASN 103 2HD2 ASN 103 -1.709 14.979 -1.720 674 H GLY 104 H GLY 104 -2.697 11.568 2.448 675 1HA GLY 104 1HA GLY 104 -4.144 10.902 4.208 676 2HA GLY 104 2HA GLY 104 -5.117 9.997 3.064 677 HA PRO 105 HA PRO 105 -1.322 7.564 4.563 678 1HB PRO 105 1HB PRO 105 -1.322 7.414 7.290 679 2HB PRO 105 2HB PRO 105 -0.279 8.510 6.384 680 1HG PRO 105 1HG PRO 105 -2.755 9.061 7.893 681 2HG PRO 105 2HG PRO 105 -1.463 10.212 7.395 682 1HD PRO 105 1HD PRO 105 -4.069 9.862 6.261 683 2HD PRO 105 2HD PRO 105 -2.777 10.895 5.637 684 H GLU 106 H GLU 106 -3.568 6.713 3.521 685 HA GLU 106 HA GLU 106 -4.725 4.906 5.446 686 1HB GLU 106 1HB GLU 106 -5.507 6.095 2.873 687 2HB GLU 106 2HB GLU 106 -5.929 4.378 2.987 688 1HG GLU 106 1HG GLU 106 -7.799 5.251 3.996 689 2HG GLU 106 2HG GLU 106 -6.768 5.180 5.433 690 HE2 GLU 106 HE2 GLU 106 -7.296 8.551 5.785 691 H GLY 107 H GLY 107 -3.362 3.175 5.848 692 1HA GLY 107 1HA GLY 107 -3.145 1.088 4.046 693 2HA GLY 107 2HA GLY 107 -1.679 2.033 3.867 694 H VAL 108 H VAL 108 -2.204 -0.732 5.043 695 HA VAL 108 HA VAL 108 -1.279 -0.223 7.780 696 HB VAL 108 HB VAL 108 -3.324 -1.533 7.552 697 1HG1 VAL 108 1HG1 VAL 108 -2.997 -3.932 6.606 698 2HG1 VAL 108 2HG1 VAL 108 -3.253 -2.583 5.470 699 3HG1 VAL 108 3HG1 VAL 108 -1.612 -3.227 5.737 700 1HG2 VAL 108 1HG2 VAL 108 -1.121 -2.142 9.101 701 2HG2 VAL 108 2HG2 VAL 108 -2.757 -2.811 9.308 702 3HG2 VAL 108 3HG2 VAL 108 -1.538 -3.712 8.375 703 H ALA 109 H ALA 109 0.787 -0.737 8.366 704 HA ALA 109 HA ALA 109 2.643 -1.355 6.340 705 1HB ALA 109 1HB ALA 109 3.277 0.003 8.233 706 2HB ALA 109 2HB ALA 109 2.804 -1.276 9.376 707 3HB ALA 109 3HB ALA 109 4.214 -1.507 8.315 708 H ILE 110 H ILE 110 2.051 -3.318 5.318 709 HA ILE 110 HA ILE 110 2.228 -5.671 7.066 710 HB ILE 110 HB ILE 110 0.105 -4.993 5.613 711 1HG1 ILE 110 1HG1 ILE 110 0.493 -7.860 5.383 712 2HG1 ILE 110 2HG1 ILE 110 1.016 -7.256 6.966 713 1HG2 ILE 110 1HG2 ILE 110 0.078 -5.595 3.437 714 2HG2 ILE 110 2HG2 ILE 110 1.823 -5.268 3.562 715 3HG2 ILE 110 3HG2 ILE 110 1.220 -6.939 3.674 716 1HD1 ILE 110 1HD1 ILE 110 -1.652 -7.712 6.033 717 2HD1 ILE 110 2HD1 ILE 110 -1.143 -7.052 7.605 718 3HD1 ILE 110 3HD1 ILE 110 -1.459 -5.955 6.240 719 H SER 111 H SER 111 3.595 -7.395 6.452 720 HA SER 111 HA SER 111 4.783 -7.969 4.221 721 1HB SER 111 1HB SER 111 7.078 -6.653 4.479 722 2HB SER 111 2HB SER 111 5.729 -5.952 3.568 723 HG SER 111 HG SER 111 5.667 -5.395 6.313 724 H PHE 112 H PHE 112 5.578 -6.949 7.585 725 HA PHE 112 HA PHE 112 6.203 -9.543 8.385 726 1HB PHE 112 1HB PHE 112 8.208 -8.698 6.848 727 2HB PHE 112 2HB PHE 112 8.629 -7.687 8.235 728 HD1 PHE 112 1HD PHE 112 9.807 -8.595 10.058 729 HD2 PHE 112 2HD PHE 112 8.149 -11.195 7.143 730 HE1 PHE 112 1HE PHE 112 11.061 -10.522 11.064 731 HE2 PHE 112 2HE PHE 112 9.403 -13.122 8.150 732 HZ PHE 112 HZ PHE 112 10.843 -12.764 10.098 733 H ASN 113 H ASN 113 7.327 -9.494 10.654 734 HA ASN 113 HA ASN 113 5.861 -7.699 12.198 735 1HB ASN 113 1HB ASN 113 7.453 -10.032 12.591 736 2HB ASN 113 2HB ASN 113 8.159 -8.792 13.639 737 1HD2 ASN 113 1HD2 ASN 113 6.168 -11.280 13.678 738 2HD2 ASN 113 2HD2 ASN 113 4.980 -10.802 14.846 739 6H NCZ 130 6H NCZ 130 1.757 13.681 0.150 740 6H1 NCZ 130 6H1 NCZ 130 -0.321 11.661 -0.145 741 5H1 NCZ 130 5H1 NCZ 130 -0.134 12.706 2.276 742 4H1 NCZ 130 4H1 NCZ 130 2.202 11.615 3.246 743 5H NCZ 130 5H NCZ 130 4.258 11.186 0.280 744 3H1 NCZ 130 3H1 NCZ 130 2.821 9.915 1.609 745 2H1 NCZ 130 2H1 NCZ 130 2.028 11.220 -0.783 746 2H NCZ 130 2H NCZ 130 0.267 8.550 -4.041 747 8H NCZ 130 8H NCZ 130 -0.965 5.585 -3.988 748 7H NCZ 130 7H NCZ 130 -1.892 4.397 -2.028 749 3H NCZ 130 3H NCZ 130 -1.284 4.746 2.621 750 1H17 NCZ 130 1H17 NCZ 130 1.096 7.877 4.781 751 2H17 NCZ 130 2H17 NCZ 130 1.829 8.108 3.175 752 3H17 NCZ 130 3H17 NCZ 130 0.182 8.704 3.496 753 1H18 NCZ 130 1H18 NCZ 130 -2.100 3.291 -0.589 754 2H18 NCZ 130 2H18 NCZ 130 -2.076 3.084 1.178 755 3H18 NCZ 130 3H18 NCZ 130 -3.261 4.177 0.425 756 1H NCZ 130 1H NCZ 130 1.160 7.833 1.049 Start of MODEL 10 1 H ALA 1 H ALA 1 -4.375 1.128 10.444 2 HA ALA 1 HA ALA 1 -3.215 -0.826 8.986 3 1HB ALA 1 1HB ALA 1 -2.993 -1.829 11.525 4 2HB ALA 1 2HB ALA 1 -2.022 -0.481 10.891 5 3HB ALA 1 3HB ALA 1 -3.477 -0.148 11.860 6 H ALA 2 H ALA 2 -5.064 -2.007 11.816 7 HA ALA 2 HA ALA 2 -5.750 -4.387 10.493 8 1HB ALA 2 1HB ALA 2 -6.251 -5.010 12.601 9 2HB ALA 2 2HB ALA 2 -5.713 -3.390 13.107 10 3HB ALA 2 3HB ALA 2 -7.437 -3.696 12.782 11 HA PRO 3 HA PRO 3 -9.973 -2.293 10.042 12 1HB PRO 3 1HB PRO 3 -10.228 0.377 10.553 13 2HB PRO 3 2HB PRO 3 -10.625 -0.870 11.731 14 1HG PRO 3 1HG PRO 3 -8.269 0.897 11.562 15 2HG PRO 3 2HG PRO 3 -8.894 -0.008 12.987 16 1HD PRO 3 1HD PRO 3 -6.626 -0.617 11.346 17 2HD PRO 3 2HD PRO 3 -7.294 -1.622 12.639 18 H THR 4 H THR 4 -10.972 -0.136 8.707 19 HA THR 4 HA THR 4 -11.062 0.491 6.555 20 HB THR 4 HB THR 4 -9.491 2.227 6.148 21 HG1 THR 4 1HG THR 4 -7.644 0.654 7.793 22 1HG2 THR 4 1HG2 THR 4 -10.416 2.391 8.548 23 2HG2 THR 4 2HG2 THR 4 -8.902 1.629 9.088 24 3HG2 THR 4 3HG2 THR 4 -8.859 3.213 8.278 25 H ALA 5 H ALA 5 -8.324 0.683 4.995 26 HA ALA 5 HA ALA 5 -8.743 -1.832 3.675 27 1HB ALA 5 1HB ALA 5 -6.910 -0.896 2.178 28 2HB ALA 5 2HB ALA 5 -8.375 0.106 2.311 29 3HB ALA 5 3HB ALA 5 -6.909 0.548 3.219 30 H THR 6 H THR 6 -7.504 -3.669 3.822 31 HA THR 6 HA THR 6 -4.874 -3.520 5.020 32 HB THR 6 HB THR 6 -5.706 -3.946 7.119 33 HG1 THR 6 1HG THR 6 -6.658 -6.387 5.807 34 1HG2 THR 6 1HG2 THR 6 -8.271 -4.877 5.728 35 2HG2 THR 6 2HG2 THR 6 -8.038 -4.874 7.492 36 3HG2 THR 6 3HG2 THR 6 -8.038 -3.339 6.593 37 H VAL 7 H VAL 7 -4.102 -6.012 5.276 38 HA VAL 7 HA VAL 7 -4.874 -7.257 2.726 39 HB VAL 7 HB VAL 7 -2.466 -6.178 3.324 40 1HG1 VAL 7 1HG1 VAL 7 -1.676 -7.519 5.031 41 2HG1 VAL 7 2HG1 VAL 7 -2.476 -8.980 4.403 42 3HG1 VAL 7 3HG1 VAL 7 -1.012 -8.354 3.607 43 1HG2 VAL 7 1HG2 VAL 7 -2.659 -6.720 1.124 44 2HG2 VAL 7 2HG2 VAL 7 -1.657 -8.104 1.621 45 3HG2 VAL 7 3HG2 VAL 7 -3.419 -8.294 1.462 46 H THR 8 H THR 8 -5.491 -9.394 2.765 47 HA THR 8 HA THR 8 -6.475 -10.549 5.009 48 HB THR 8 HB THR 8 -5.647 -11.389 2.279 49 HG1 THR 8 1HG THR 8 -7.833 -12.465 2.762 50 1HG2 THR 8 1HG2 THR 8 -4.626 -13.325 3.230 51 2HG2 THR 8 2HG2 THR 8 -5.735 -13.332 4.621 52 3HG2 THR 8 3HG2 THR 8 -6.318 -13.831 3.015 53 HA PRO 9 HA PRO 9 -2.405 -12.704 5.907 54 1HB PRO 9 1HB PRO 9 -0.174 -12.166 4.422 55 2HB PRO 9 2HB PRO 9 -1.237 -13.537 4.104 56 1HG PRO 9 1HG PRO 9 -0.990 -10.958 2.692 57 2HG PRO 9 2HG PRO 9 -1.701 -12.503 2.096 58 1HD PRO 9 1HD PRO 9 -3.059 -10.134 2.960 59 2HD PRO 9 2HD PRO 9 -3.803 -11.682 2.535 60 H SER 10 H SER 10 0.277 -11.872 6.209 61 HA SER 10 HA SER 10 0.003 -9.160 7.123 62 1HB SER 10 1HB SER 10 0.695 -11.453 9.002 63 2HB SER 10 2HB SER 10 0.840 -9.736 9.417 64 HG SER 10 HG SER 10 -1.572 -11.199 8.756 65 H SER 11 H SER 11 1.994 -12.174 6.921 66 HA SER 11 HA SER 11 4.433 -10.818 7.152 67 1HB SER 11 1HB SER 11 3.721 -13.544 6.007 68 2HB SER 11 2HB SER 11 5.386 -12.993 6.265 69 HG SER 11 HG SER 11 3.325 -13.342 8.273 70 H GLY 12 H GLY 12 3.548 -9.067 5.504 71 1HA GLY 12 1HA GLY 12 3.154 -9.321 2.871 72 2HA GLY 12 2HA GLY 12 4.115 -8.031 3.567 73 H LEU 13 H LEU 13 6.183 -10.027 4.606 74 HA LEU 13 HA LEU 13 7.730 -10.078 2.181 75 1HB LEU 13 1HB LEU 13 9.531 -10.810 3.647 76 2HB LEU 13 2HB LEU 13 8.762 -9.313 4.203 77 HG LEU 13 HG LEU 13 7.382 -11.114 5.664 78 1HD1 LEU 13 1HD1 LEU 13 9.649 -12.588 4.624 79 2HD1 LEU 13 2HD1 LEU 13 9.700 -12.498 6.401 80 3HD1 LEU 13 3HD1 LEU 13 8.259 -13.153 5.583 81 1HD2 LEU 13 1HD2 LEU 13 8.303 -10.009 7.371 82 2HD2 LEU 13 2HD2 LEU 13 9.951 -10.519 6.936 83 3HD2 LEU 13 3HD2 LEU 13 9.216 -9.109 6.135 84 H SER 14 H SER 14 5.823 -11.602 1.361 85 HA SER 14 HA SER 14 6.807 -14.303 1.832 86 1HB SER 14 1HB SER 14 4.637 -14.055 2.934 87 2HB SER 14 2HB SER 14 3.910 -13.426 1.444 88 HG SER 14 HG SER 14 3.375 -15.612 1.559 89 H ASP 15 H ASP 15 8.183 -13.969 -0.072 90 HA ASP 15 HA ASP 15 8.481 -13.402 -2.257 91 1HB ASP 15 1HB ASP 15 7.362 -16.106 -1.753 92 2HB ASP 15 2HB ASP 15 7.358 -15.626 -3.457 93 HD2 ASP 15 HD2 ASP 15 11.018 -15.583 -1.956 94 H GLY 16 H GLY 16 6.918 -11.544 -2.487 95 1HA GLY 16 1HA GLY 16 5.010 -10.533 -3.205 96 2HA GLY 16 2HA GLY 16 5.349 -11.483 -4.637 97 H THR 17 H THR 17 3.848 -11.877 -1.346 98 HA THR 17 HA THR 17 2.197 -14.031 -2.247 99 HB THR 17 HB THR 17 2.715 -12.459 0.269 100 HG1 THR 17 1HG THR 17 3.709 -14.546 -0.395 101 1HG2 THR 17 1HG2 THR 17 0.236 -14.197 -0.220 102 2HG2 THR 17 2HG2 THR 17 0.827 -13.703 1.384 103 3HG2 THR 17 3HG2 THR 17 0.232 -12.477 0.241 104 H VAL 18 H VAL 18 0.307 -13.974 -3.287 105 HA VAL 18 HA VAL 18 -0.913 -11.355 -3.637 106 HB VAL 18 HB VAL 18 -1.903 -13.819 -4.986 107 1HG1 VAL 18 1HG1 VAL 18 -1.581 -10.894 -5.651 108 2HG1 VAL 18 2HG1 VAL 18 -1.828 -12.102 -6.936 109 3HG1 VAL 18 3HG1 VAL 18 -3.050 -11.900 -5.657 110 1HG2 VAL 18 1HG2 VAL 18 0.385 -14.297 -5.255 111 2HG2 VAL 18 2HG2 VAL 18 -0.067 -13.439 -6.746 112 3HG2 VAL 18 3HG2 VAL 18 0.815 -12.583 -5.460 113 H VAL 19 H VAL 19 -2.739 -10.744 -2.585 114 HA VAL 19 HA VAL 19 -4.549 -12.792 -1.636 115 HB VAL 19 HB VAL 19 -4.495 -11.471 0.637 116 1HG1 VAL 19 1HG1 VAL 19 -3.519 -13.322 1.557 117 2HG1 VAL 19 2HG1 VAL 19 -3.804 -13.952 -0.085 118 3HG1 VAL 19 3HG1 VAL 19 -2.192 -13.353 0.371 119 1HG2 VAL 19 1HG2 VAL 19 -2.319 -10.270 -0.682 120 2HG2 VAL 19 2HG2 VAL 19 -2.764 -10.118 1.036 121 3HG2 VAL 19 3HG2 VAL 19 -1.601 -11.364 0.525 122 H LYS 20 H LYS 20 -6.196 -11.161 -0.059 123 HA LYS 20 HA LYS 20 -6.915 -9.057 -1.981 124 1HB LYS 20 1HB LYS 20 -9.252 -9.497 -1.423 125 2HB LYS 20 2HB LYS 20 -8.470 -10.927 -2.121 126 1HG LYS 20 1HG LYS 20 -8.051 -11.694 0.287 127 2HG LYS 20 2HG LYS 20 -9.138 -10.392 0.805 128 1HD LYS 20 1HD LYS 20 -10.948 -11.355 -0.570 129 2HD LYS 20 2HD LYS 20 -9.863 -12.636 -1.139 130 1HE LYS 20 1HE LYS 20 -9.545 -13.141 1.418 131 2HE LYS 20 2HE LYS 20 -11.036 -12.211 1.625 132 1HZ LYS 20 1HZ LYS 20 -11.332 -14.622 1.309 133 2HZ LYS 20 2HZ LYS 20 -12.150 -13.721 0.220 134 3HZ LYS 20 3HZ LYS 20 -10.772 -14.479 -0.219 135 H VAL 21 H VAL 21 -7.396 -7.021 -1.173 136 HA VAL 21 HA VAL 21 -6.844 -6.719 1.690 137 HB VAL 21 HB VAL 21 -6.384 -5.060 -0.748 138 1HG1 VAL 21 1HG1 VAL 21 -5.834 -3.286 1.289 139 2HG1 VAL 21 2HG1 VAL 21 -7.261 -3.232 0.224 140 3HG1 VAL 21 3HG1 VAL 21 -7.370 -4.017 1.817 141 1HG2 VAL 21 1HG2 VAL 21 -4.212 -5.227 -0.172 142 2HG2 VAL 21 2HG2 VAL 21 -4.543 -4.930 1.551 143 3HG2 VAL 21 3HG2 VAL 21 -4.760 -6.561 0.873 144 H ALA 22 H ALA 22 -8.605 -6.507 2.963 145 HA ALA 22 HA ALA 22 -11.092 -5.659 1.735 146 1HB ALA 22 1HB ALA 22 -11.286 -7.594 3.103 147 2HB ALA 22 2HB ALA 22 -10.304 -6.874 4.401 148 3HB ALA 22 3HB ALA 22 -11.947 -6.265 4.084 149 H GLY 23 H GLY 23 -12.196 -3.755 2.246 150 1HA GLY 23 1HA GLY 23 -10.672 -1.845 3.917 151 2HA GLY 23 2HA GLY 23 -11.546 -1.409 2.461 152 H ALA 24 H ALA 24 -11.746 -1.979 5.895 153 HA ALA 24 HA ALA 24 -14.667 -1.921 5.819 154 1HB ALA 24 1HB ALA 24 -12.827 -3.350 7.344 155 2HB ALA 24 2HB ALA 24 -13.355 -2.052 8.444 156 3HB ALA 24 3HB ALA 24 -14.556 -3.146 7.714 157 H GLY 25 H GLY 25 -15.407 0.145 5.535 158 1HA GLY 25 1HA GLY 25 -15.973 2.208 6.353 159 2HA GLY 25 2HA GLY 25 -14.722 2.091 7.574 160 H LEU 26 H LEU 26 -14.090 1.425 4.121 161 HA LEU 26 HA LEU 26 -12.205 3.634 4.133 162 1HB LEU 26 1HB LEU 26 -11.996 1.090 3.290 163 2HB LEU 26 2HB LEU 26 -12.466 1.876 1.772 164 HG LEU 26 HG LEU 26 -10.142 1.865 1.709 165 1HD1 LEU 26 1HD1 LEU 26 -10.546 4.005 1.034 166 2HD1 LEU 26 2HD1 LEU 26 -11.271 4.485 2.588 167 3HD1 LEU 26 3HD1 LEU 26 -9.502 4.336 2.438 168 1HD2 LEU 26 1HD2 LEU 26 -10.199 1.396 4.373 169 2HD2 LEU 26 2HD2 LEU 26 -8.723 1.790 3.457 170 3HD2 LEU 26 3HD2 LEU 26 -9.580 3.066 4.355 171 H GLN 27 H GLN 27 -12.497 3.597 1.042 172 HA GLN 27 HA GLN 27 -13.893 5.913 0.819 173 1HB GLN 27 1HB GLN 27 -13.200 3.726 -1.149 174 2HB GLN 27 2HB GLN 27 -14.122 5.142 -1.682 175 1HG GLN 27 1HG GLN 27 -11.318 5.016 -0.531 176 2HG GLN 27 2HG GLN 27 -11.828 5.691 -2.087 177 1HE2 GLN 27 1HE2 GLN 27 -11.481 6.157 1.319 178 2HE2 GLN 27 2HE2 GLN 27 -11.895 7.837 1.401 179 H ALA 28 H ALA 28 -15.901 5.892 1.932 180 HA ALA 28 HA ALA 28 -17.828 3.906 1.656 181 1HB ALA 28 1HB ALA 28 -18.299 6.862 2.192 182 2HB ALA 28 2HB ALA 28 -19.292 5.487 2.733 183 3HB ALA 28 3HB ALA 28 -17.662 5.730 3.410 184 H GLY 29 H GLY 29 -17.924 3.313 -0.592 185 1HA GLY 29 1HA GLY 29 -19.055 3.330 -2.551 186 2HA GLY 29 2HA GLY 29 -19.884 4.795 -2.059 187 H THR 30 H THR 30 -16.519 5.204 -1.626 188 HA THR 30 HA THR 30 -16.411 6.861 -4.018 189 HB THR 30 HB THR 30 -14.020 6.972 -2.418 190 HG1 THR 30 1HG THR 30 -15.094 7.238 -0.335 191 1HG2 THR 30 1HG2 THR 30 -15.309 9.135 -1.556 192 2HG2 THR 30 2HG2 THR 30 -14.769 9.059 -3.251 193 3HG2 THR 30 3HG2 THR 30 -16.468 8.718 -2.841 194 H ALA 31 H ALA 31 -13.895 6.924 -4.850 195 HA ALA 31 HA ALA 31 -13.097 4.149 -5.307 196 1HB ALA 31 1HB ALA 31 -13.218 4.309 -7.622 197 2HB ALA 31 2HB ALA 31 -14.646 5.258 -7.144 198 3HB ALA 31 3HB ALA 31 -13.142 6.086 -7.611 199 H TYR 32 H TYR 32 -11.011 3.988 -4.673 200 HA TYR 32 HA TYR 32 -9.328 6.374 -5.051 201 1HB TYR 32 1HB TYR 32 -9.784 4.306 -2.889 202 2HB TYR 32 2HB TYR 32 -8.115 4.845 -3.102 203 HD1 TYR 32 1HD TYR 32 -10.616 7.326 -3.892 204 HD2 TYR 32 2HD TYR 32 -8.347 5.620 -0.692 205 HE1 TYR 32 1HE TYR 32 -11.102 9.364 -2.452 206 HE2 TYR 32 2HE TYR 32 -8.840 7.665 0.737 207 HH TYR 32 HH TYR 32 -10.709 10.379 -0.587 208 H ASP 33 H ASP 33 -6.846 5.223 -4.494 209 HA ASP 33 HA ASP 33 -6.679 3.218 -6.606 210 1HB ASP 33 1HB ASP 33 -5.597 5.031 -7.579 211 2HB ASP 33 2HB ASP 33 -5.051 5.684 -6.027 212 HD2 ASP 33 HD2 ASP 33 -2.813 2.622 -7.137 213 H VAL 34 H VAL 34 -5.973 1.264 -5.731 214 HA VAL 34 HA VAL 34 -4.885 1.191 -3.097 215 HB VAL 34 HB VAL 34 -5.837 -0.687 -5.159 216 1HG1 VAL 34 1HG1 VAL 34 -4.717 -2.635 -4.315 217 2HG1 VAL 34 2HG1 VAL 34 -3.472 -1.442 -4.763 218 3HG1 VAL 34 3HG1 VAL 34 -3.898 -1.685 -3.051 219 1HG2 VAL 34 1HG2 VAL 34 -7.092 0.106 -3.104 220 2HG2 VAL 34 2HG2 VAL 34 -7.027 -1.657 -3.337 221 3HG2 VAL 34 3HG2 VAL 34 -5.965 -0.879 -2.138 222 H GLY 35 H GLY 35 -2.766 0.691 -2.441 223 1HA GLY 35 1HA GLY 35 -0.694 -0.134 -4.098 224 2HA GLY 35 2HA GLY 35 -0.699 1.618 -4.139 225 H GLN 36 H GLN 36 1.351 -0.162 -2.969 226 HA GLN 36 HA GLN 36 0.969 0.271 -0.135 227 1HB GLN 36 1HB GLN 36 3.489 -0.943 -1.164 228 2HB GLN 36 2HB GLN 36 2.482 -1.433 0.209 229 1HG GLN 36 1HG GLN 36 1.494 -3.008 -1.058 230 2HG GLN 36 2HG GLN 36 0.966 -1.785 -2.225 231 1HE2 GLN 36 1HE2 GLN 36 3.020 -0.876 -3.474 232 2HE2 GLN 36 2HE2 GLN 36 3.986 -2.090 -4.245 233 H CYS 37 H CYS 37 1.390 2.394 0.412 234 HA CYS 37 HA CYS 37 3.800 3.577 -0.743 235 1HB CYS 37 1HB CYS 37 1.497 4.675 -0.972 236 2HB CYS 37 2HB CYS 37 1.649 5.076 0.740 237 H ALA 38 H ALA 38 5.314 4.644 0.735 238 HA ALA 38 HA ALA 38 4.967 4.735 3.496 239 1HB ALA 38 1HB ALA 38 5.028 2.428 3.771 240 2HB ALA 38 2HB ALA 38 6.110 2.184 2.379 241 3HB ALA 38 3HB ALA 38 6.755 2.831 3.906 242 H TRP 39 H TRP 39 7.032 5.383 4.594 243 HA TRP 39 HA TRP 39 8.455 7.170 2.961 244 1HB TRP 39 1HB TRP 39 9.951 7.287 5.035 245 2HB TRP 39 2HB TRP 39 8.273 7.822 5.162 246 HD1 TRP 39 HD TRP 39 10.417 4.688 6.067 247 HE1 TRP 39 1HE TRP 39 9.416 3.458 8.177 248 HE3 TRP 39 3HE TRP 39 6.310 7.656 6.504 249 HZ2 TRP 39 2HZ TRP 39 7.072 3.855 9.756 250 HZ3 TRP 39 3HZ TRP 39 4.717 7.166 8.358 251 HH2 TRP 39 HH TRP 39 5.045 5.341 9.950 252 H VAL 40 H VAL 40 9.938 6.597 1.429 253 HA VAL 40 HA VAL 40 11.360 4.074 1.807 254 HB VAL 40 HB VAL 40 10.007 4.964 -0.310 255 1HG1 VAL 40 1HG1 VAL 40 11.564 6.960 -0.490 256 2HG1 VAL 40 2HG1 VAL 40 12.836 5.819 -0.983 257 3HG1 VAL 40 3HG1 VAL 40 11.367 5.997 -1.973 258 1HG2 VAL 40 1HG2 VAL 40 11.977 3.591 -1.618 259 2HG2 VAL 40 2HG2 VAL 40 12.268 3.104 0.070 260 3HG2 VAL 40 3HG2 VAL 40 10.671 2.839 -0.670 261 H ASP 41 H ASP 41 11.837 7.606 1.261 262 HA ASP 41 HA ASP 41 14.675 7.233 1.508 263 1HB ASP 41 1HB ASP 41 13.006 9.086 0.224 264 2HB ASP 41 2HB ASP 41 13.684 10.007 1.576 265 HD2 ASP 41 HD2 ASP 41 16.915 8.981 -0.054 266 H THR 42 H THR 42 15.223 9.790 2.842 267 HA THR 42 HA THR 42 14.966 8.971 5.547 268 HB THR 42 HB THR 42 15.931 11.521 4.155 269 HG1 THR 42 1HG THR 42 17.255 9.350 5.609 270 1HG2 THR 42 1HG2 THR 42 17.250 11.673 6.425 271 2HG2 THR 42 2HG2 THR 42 15.571 12.265 6.401 272 3HG2 THR 42 3HG2 THR 42 15.940 10.660 7.077 273 H GLY 43 H GLY 43 12.635 8.654 5.713 274 1HA GLY 43 1HA GLY 43 10.679 9.330 6.606 275 2HA GLY 43 2HA GLY 43 11.390 10.899 6.927 276 H VAL 44 H VAL 44 11.484 9.583 3.636 277 HA VAL 44 HA VAL 44 9.569 11.663 2.864 278 HB VAL 44 HB VAL 44 11.715 10.212 1.302 279 1HG1 VAL 44 1HG1 VAL 44 10.018 10.703 -0.267 280 2HG1 VAL 44 2HG1 VAL 44 9.672 12.284 0.475 281 3HG1 VAL 44 3HG1 VAL 44 11.191 12.034 -0.419 282 1HG2 VAL 44 1HG2 VAL 44 12.861 11.706 2.677 283 2HG2 VAL 44 2HG2 VAL 44 12.606 12.652 1.191 284 3HG2 VAL 44 3HG2 VAL 44 11.564 12.925 2.608 285 H LEU 45 H LEU 45 7.522 10.912 2.664 286 HA LEU 45 HA LEU 45 6.881 8.217 2.440 287 1HB LEU 45 1HB LEU 45 5.445 10.800 2.088 288 2HB LEU 45 2HB LEU 45 4.647 9.301 1.579 289 HG LEU 45 HG LEU 45 5.791 9.662 4.349 290 1HD1 LEU 45 1HD1 LEU 45 2.933 9.954 4.324 291 2HD1 LEU 45 2HD1 LEU 45 4.179 11.055 4.961 292 3HD1 LEU 45 3HD1 LEU 45 3.668 11.177 3.260 293 1HD2 LEU 45 1HD2 LEU 45 5.364 7.408 4.036 294 2HD2 LEU 45 2HD2 LEU 45 3.853 7.983 4.778 295 3HD2 LEU 45 3HD2 LEU 45 3.933 7.708 3.022 296 H ALA 46 H ALA 46 7.702 6.969 0.817 297 HA ALA 46 HA ALA 46 7.341 8.014 -1.910 298 1HB ALA 46 1HB ALA 46 9.622 6.901 -0.527 299 2HB ALA 46 2HB ALA 46 9.176 5.845 -1.889 300 3HB ALA 46 3HB ALA 46 9.524 7.567 -2.174 301 H CYS 47 H CYS 47 6.011 6.885 -3.267 302 HA CYS 47 HA CYS 47 4.819 4.483 -2.141 303 1HB CYS 47 1HB CYS 47 3.941 6.020 -4.583 304 2HB CYS 47 2HB CYS 47 3.031 4.798 -3.692 305 H ASN 48 H ASN 48 4.529 2.573 -3.612 306 HA ASN 48 HA ASN 48 6.933 2.181 -5.098 307 1HB ASN 48 1HB ASN 48 4.604 0.236 -4.932 308 2HB ASN 48 2HB ASN 48 6.324 -0.143 -5.108 309 1HD2 ASN 48 1HD2 ASN 48 6.967 2.008 -3.125 310 2HD2 ASN 48 2HD2 ASN 48 6.655 1.328 -1.564 311 HA PRO 49 HA PRO 49 5.054 2.586 -9.042 312 1HB PRO 49 1HB PRO 49 6.282 0.677 -10.560 313 2HB PRO 49 2HB PRO 49 7.032 2.222 -10.162 314 1HG PRO 49 1HG PRO 49 7.515 -0.466 -9.046 315 2HG PRO 49 2HG PRO 49 8.587 0.981 -8.994 316 1HD PRO 49 1HD PRO 49 6.988 -0.127 -6.894 317 2HD PRO 49 2HD PRO 49 7.896 1.388 -6.840 318 H ALA 50 H ALA 50 4.509 -0.149 -7.232 319 HA ALA 50 HA ALA 50 2.475 -1.041 -9.153 320 1HB ALA 50 1HB ALA 50 3.919 -2.852 -8.711 321 2HB ALA 50 2HB ALA 50 4.073 -2.428 -6.989 322 3HB ALA 50 3HB ALA 50 2.552 -3.123 -7.602 323 H ASP 51 H ASP 51 2.589 1.256 -7.006 324 HA ASP 51 HA ASP 51 0.584 0.329 -5.183 325 1HB ASP 51 1HB ASP 51 1.731 1.868 -3.975 326 2HB ASP 51 2HB ASP 51 2.429 2.608 -5.424 327 HD2 ASP 51 HD2 ASP 51 -0.484 4.418 -3.564 328 H PHE 52 H PHE 52 0.364 0.854 -8.327 329 HA PHE 52 HA PHE 52 -1.874 2.739 -8.220 330 1HB PHE 52 1HB PHE 52 -0.585 1.531 -10.702 331 2HB PHE 52 2HB PHE 52 -1.343 3.119 -10.541 332 HD1 PHE 52 1HD PHE 52 0.088 4.113 -8.121 333 HD2 PHE 52 2HD PHE 52 1.528 2.042 -11.532 334 HE1 PHE 52 1HE PHE 52 2.352 5.143 -7.789 335 HE2 PHE 52 2HE PHE 52 3.794 3.070 -11.200 336 HZ PHE 52 HZ PHE 52 4.178 4.608 -9.332 337 H SER 53 H SER 53 -3.606 1.437 -7.546 338 HA SER 53 HA SER 53 -4.421 -0.478 -9.543 339 1HB SER 53 1HB SER 53 -3.284 -1.888 -7.935 340 2HB SER 53 2HB SER 53 -4.145 -1.135 -6.580 341 HG SER 53 HG SER 53 -5.187 -2.863 -8.644 342 H SER 54 H SER 54 -5.957 1.267 -10.034 343 HA SER 54 HA SER 54 -7.517 2.589 -8.309 344 1HB SER 54 1HB SER 54 -9.163 2.789 -10.137 345 2HB SER 54 2HB SER 54 -7.509 2.962 -10.748 346 HG SER 54 HG SER 54 -7.680 0.593 -11.275 347 H VAL 55 H VAL 55 -9.316 2.172 -7.009 348 HA VAL 55 HA VAL 55 -10.797 -0.272 -7.405 349 HB VAL 55 HB VAL 55 -10.457 -0.872 -4.965 350 1HG1 VAL 55 1HG1 VAL 55 -8.089 -1.149 -6.845 351 2HG1 VAL 55 2HG1 VAL 55 -8.418 -2.164 -5.423 352 3HG1 VAL 55 3HG1 VAL 55 -9.529 -2.194 -6.814 353 1HG2 VAL 55 1HG2 VAL 55 -9.052 1.495 -4.852 354 2HG2 VAL 55 2HG2 VAL 55 -8.972 0.186 -3.650 355 3HG2 VAL 55 3HG2 VAL 55 -7.754 0.283 -4.944 356 H THR 56 H THR 56 -12.643 -0.349 -5.679 357 HA THR 56 HA THR 56 -13.328 2.295 -4.679 358 HB THR 56 HB THR 56 -14.280 1.273 -7.201 359 HG1 THR 56 1HG THR 56 -15.448 3.386 -6.917 360 1HG2 THR 56 1HG2 THR 56 -16.046 0.090 -5.794 361 2HG2 THR 56 2HG2 THR 56 -16.473 1.675 -5.101 362 3HG2 THR 56 3HG2 THR 56 -16.708 1.369 -6.840 363 H ALA 57 H ALA 57 -14.847 2.280 -2.986 364 HA ALA 57 HA ALA 57 -15.261 -0.418 -1.903 365 1HB ALA 57 1HB ALA 57 -15.727 1.502 0.102 366 2HB ALA 57 2HB ALA 57 -14.281 0.480 -0.087 367 3HB ALA 57 3HB ALA 57 -14.320 2.110 -0.800 368 H ASP 58 H ASP 58 -17.336 -0.988 -1.068 369 HA ASP 58 HA ASP 58 -19.439 0.058 -2.545 370 1HB ASP 58 1HB ASP 58 -19.950 -1.349 0.062 371 2HB ASP 58 2HB ASP 58 -20.738 -1.589 -1.503 372 HD2 ASP 58 HD2 ASP 58 -17.453 -3.362 -2.161 373 H ALA 59 H ALA 59 -21.466 1.096 -1.573 374 HA ALA 59 HA ALA 59 -21.024 3.445 -0.339 375 1HB ALA 59 1HB ALA 59 -23.146 2.802 -1.373 376 2HB ALA 59 2HB ALA 59 -23.445 1.615 -0.081 377 3HB ALA 59 3HB ALA 59 -23.433 3.353 0.295 378 H ASN 60 H ASN 60 -21.066 0.222 1.121 379 HA ASN 60 HA ASN 60 -21.231 1.326 3.761 380 1HB ASN 60 1HB ASN 60 -21.975 -1.084 2.698 381 2HB ASN 60 2HB ASN 60 -20.391 -1.527 3.353 382 1HD2 ASN 60 1HD2 ASN 60 -21.816 -2.921 4.670 383 2HD2 ASN 60 2HD2 ASN 60 -22.448 -2.302 6.159 384 H GLY 61 H GLY 61 -18.985 2.193 2.054 385 1HA GLY 61 1HA GLY 61 -16.731 2.305 1.972 386 2HA GLY 61 2HA GLY 61 -16.848 2.168 3.715 387 H SER 62 H SER 62 -17.704 -0.318 1.231 388 HA SER 62 HA SER 62 -15.806 -2.063 2.561 389 1HB SER 62 1HB SER 62 -17.429 -3.382 0.553 390 2HB SER 62 2HB SER 62 -17.365 -3.677 2.301 391 HG SER 62 HG SER 62 -19.472 -2.902 1.212 392 H ALA 63 H ALA 63 -13.804 -1.622 1.584 393 HA ALA 63 HA ALA 63 -13.730 -1.511 -1.328 394 1HB ALA 63 1HB ALA 63 -12.236 0.098 -0.834 395 2HB ALA 63 2HB ALA 63 -12.232 -0.359 0.886 396 3HB ALA 63 3HB ALA 63 -11.146 -1.185 -0.253 397 H SER 64 H SER 64 -13.847 -3.567 -2.168 398 HA SER 64 HA SER 64 -12.219 -5.582 -0.866 399 1HB SER 64 1HB SER 64 -14.256 -5.926 -3.096 400 2HB SER 64 2HB SER 64 -13.528 -7.217 -2.122 401 HG SER 64 HG SER 64 -14.838 -5.175 -0.675 402 H THR 65 H THR 65 -10.146 -4.792 -1.660 403 HA THR 65 HA THR 65 -9.823 -5.023 -4.576 404 HB THR 65 HB THR 65 -9.255 -2.807 -3.694 405 HG1 THR 65 1HG THR 65 -6.852 -4.473 -3.900 406 1HG2 THR 65 1HG2 THR 65 -8.520 -2.658 -1.526 407 2HG2 THR 65 2HG2 THR 65 -8.140 -4.395 -1.472 408 3HG2 THR 65 3HG2 THR 65 -6.952 -3.243 -2.128 409 H SER 66 H SER 66 -7.586 -5.833 -5.254 410 HA SER 66 HA SER 66 -6.546 -7.762 -3.384 411 1HB SER 66 1HB SER 66 -6.680 -9.612 -5.021 412 2HB SER 66 2HB SER 66 -8.294 -9.030 -4.572 413 HG SER 66 HG SER 66 -7.280 -9.289 -7.028 414 H LEU 67 H LEU 67 -4.320 -8.180 -3.735 415 HA LEU 67 HA LEU 67 -3.064 -7.612 -6.201 416 1HB LEU 67 1HB LEU 67 -3.642 -5.330 -4.969 417 2HB LEU 67 2HB LEU 67 -2.122 -5.699 -4.135 418 HG LEU 67 HG LEU 67 -0.933 -5.729 -6.248 419 1HD1 LEU 67 1HD1 LEU 67 -2.549 -4.737 -8.213 420 2HD1 LEU 67 2HD1 LEU 67 -2.098 -6.447 -8.019 421 3HD1 LEU 67 3HD1 LEU 67 -3.648 -5.857 -7.371 422 1HD2 LEU 67 1HD2 LEU 67 -2.436 -3.389 -5.310 423 2HD2 LEU 67 2HD2 LEU 67 -0.705 -3.576 -5.686 424 3HD2 LEU 67 3HD2 LEU 67 -1.873 -3.260 -6.995 425 H THR 68 H THR 68 -0.493 -7.526 -5.695 426 HA THR 68 HA THR 68 -0.078 -9.686 -3.736 427 HB THR 68 HB THR 68 0.315 -10.131 -6.226 428 HG1 THR 68 1HG THR 68 1.491 -11.043 -4.224 429 1HG2 THR 68 1HG2 THR 68 1.835 -7.680 -5.989 430 2HG2 THR 68 2HG2 THR 68 2.973 -9.014 -6.295 431 3HG2 THR 68 3HG2 THR 68 1.633 -8.707 -7.427 432 H VAL 69 H VAL 69 1.652 -9.610 -2.281 433 HA VAL 69 HA VAL 69 2.461 -6.890 -1.679 434 HB VAL 69 HB VAL 69 1.521 -8.349 0.054 435 1HG1 VAL 69 1HG1 VAL 69 2.526 -10.334 0.813 436 2HG1 VAL 69 2HG1 VAL 69 2.581 -10.461 -0.963 437 3HG1 VAL 69 3HG1 VAL 69 4.044 -10.006 -0.058 438 1HG2 VAL 69 1HG2 VAL 69 3.336 -6.539 0.446 439 2HG2 VAL 69 2HG2 VAL 69 2.971 -7.682 1.761 440 3HG2 VAL 69 3HG2 VAL 69 4.422 -7.916 0.754 441 H ARG 70 H ARG 70 3.907 -6.505 -3.463 442 HA ARG 70 HA ARG 70 6.135 -8.292 -3.686 443 1HB ARG 70 1HB ARG 70 5.471 -5.685 -5.131 444 2HB ARG 70 2HB ARG 70 6.818 -6.753 -5.562 445 1HG ARG 70 1HG ARG 70 4.853 -8.572 -5.635 446 2HG ARG 70 2HG ARG 70 3.854 -7.139 -5.939 447 1HD ARG 70 1HD ARG 70 4.777 -6.783 -8.014 448 2HD ARG 70 2HD ARG 70 6.386 -7.336 -7.525 449 HE ARG 70 HE ARG 70 4.592 -9.565 -7.514 450 1HH1 ARG 70 1HH1 ARG 70 6.163 -7.385 -9.784 451 2HH1 ARG 70 2HH1 ARG 70 6.176 -8.536 -11.078 452 1HH2 ARG 70 1HH2 ARG 70 4.604 -11.084 -9.220 453 2HH2 ARG 70 2HH2 ARG 70 5.282 -10.655 -10.755 454 H ARG 71 H ARG 71 6.981 -7.878 -1.462 455 HA ARG 71 HA ARG 71 7.539 -5.582 -0.306 456 1HB ARG 71 1HB ARG 71 8.119 -7.793 0.633 457 2HB ARG 71 2HB ARG 71 9.450 -7.963 -0.523 458 1HG ARG 71 1HG ARG 71 10.067 -5.548 0.598 459 2HG ARG 71 2HG ARG 71 9.268 -6.333 1.973 460 1HD ARG 71 1HD ARG 71 11.731 -7.224 0.436 461 2HD ARG 71 2HD ARG 71 11.581 -6.919 2.175 462 HE ARG 71 HE ARG 71 9.767 -8.996 1.536 463 1HH1 ARG 71 1HH1 ARG 71 13.246 -8.467 1.483 464 2HH1 ARG 71 2HH1 ARG 71 13.633 -10.139 1.732 465 1HH2 ARG 71 1HH2 ARG 71 10.275 -11.199 1.867 466 2HH2 ARG 71 2HH2 ARG 71 11.930 -11.702 1.952 467 H SER 72 H SER 72 9.360 -7.062 -3.036 468 HA SER 72 HA SER 72 11.318 -4.980 -2.965 469 1HB SER 72 1HB SER 72 12.488 -6.239 -4.513 470 2HB SER 72 2HB SER 72 11.538 -7.513 -3.731 471 HG SER 72 HG SER 72 10.358 -7.781 -5.535 472 H PHE 73 H PHE 73 10.923 -2.977 -3.827 473 HA PHE 73 HA PHE 73 9.705 -2.781 -6.410 474 1HB PHE 73 1HB PHE 73 7.897 -1.243 -5.522 475 2HB PHE 73 2HB PHE 73 7.713 -2.890 -4.911 476 HD1 PHE 73 1HD PHE 73 7.385 -3.178 -2.643 477 HD2 PHE 73 2HD PHE 73 9.307 0.359 -3.987 478 HE1 PHE 73 1HE PHE 73 7.394 -2.291 -0.294 479 HE2 PHE 73 2HE PHE 73 9.318 1.245 -1.640 480 HZ PHE 73 HZ PHE 73 8.360 -0.090 0.179 481 H GLU 74 H GLU 74 9.882 -0.581 -7.306 482 HA GLU 74 HA GLU 74 12.157 0.731 -6.146 483 1HB GLU 74 1HB GLU 74 11.985 0.242 -8.595 484 2HB GLU 74 2HB GLU 74 10.636 1.385 -8.708 485 1HG GLU 74 1HG GLU 74 12.427 2.745 -9.298 486 2HG GLU 74 2HG GLU 74 12.359 3.049 -7.556 487 HE2 GLU 74 HE2 GLU 74 15.108 0.566 -7.353 488 H GLY 75 H GLY 75 11.441 1.839 -4.293 489 1HA GLY 75 1HA GLY 75 9.076 3.167 -3.913 490 2HA GLY 75 2HA GLY 75 10.602 3.595 -3.166 491 H PHE 76 H PHE 76 8.483 5.444 -3.989 492 HA PHE 76 HA PHE 76 10.107 7.089 -5.756 493 1HB PHE 76 1HB PHE 76 7.814 5.623 -6.561 494 2HB PHE 76 2HB PHE 76 7.178 7.240 -6.244 495 HD1 PHE 76 1HD PHE 76 8.811 9.156 -7.276 496 HD2 PHE 76 2HD PHE 76 8.409 5.187 -8.723 497 HE1 PHE 76 1HE PHE 76 9.614 9.899 -9.536 498 HE2 PHE 76 2HE PHE 76 9.211 5.930 -10.983 499 HZ PHE 76 HZ PHE 76 9.804 8.275 -11.362 500 H LEU 77 H LEU 77 10.532 8.795 -4.418 501 HA LEU 77 HA LEU 77 9.086 9.549 -2.233 502 1HB LEU 77 1HB LEU 77 10.518 11.520 -3.978 503 2HB LEU 77 2HB LEU 77 10.364 11.508 -2.213 504 HG LEU 77 HG LEU 77 12.164 9.889 -3.995 505 1HD1 LEU 77 1HD1 LEU 77 13.863 10.977 -2.987 506 2HD1 LEU 77 2HD1 LEU 77 12.601 12.180 -2.629 507 3HD1 LEU 77 3HD1 LEU 77 13.066 10.985 -1.396 508 1HD2 LEU 77 1HD2 LEU 77 11.451 8.085 -2.777 509 2HD2 LEU 77 2HD2 LEU 77 12.738 8.698 -1.712 510 3HD2 LEU 77 3HD2 LEU 77 11.034 9.064 -1.350 511 H PHE 78 H PHE 78 7.189 10.593 -1.835 512 HA PHE 78 HA PHE 78 5.306 10.889 -3.808 513 1HB PHE 78 1HB PHE 78 4.568 10.841 -1.545 514 2HB PHE 78 2HB PHE 78 5.827 11.957 -1.010 515 HD1 PHE 78 1HD PHE 78 2.750 11.858 -3.120 516 HD2 PHE 78 2HD PHE 78 5.246 14.153 -0.565 517 HE1 PHE 78 1HE PHE 78 1.091 13.741 -3.188 518 HE2 PHE 78 2HE PHE 78 3.586 16.034 -0.634 519 HZ PHE 78 HZ PHE 78 1.530 15.807 -1.946 520 H ASP 79 H ASP 79 7.875 13.107 -2.760 521 HA ASP 79 HA ASP 79 6.840 15.478 -3.596 522 1HB ASP 79 1HB ASP 79 9.173 14.732 -2.529 523 2HB ASP 79 2HB ASP 79 9.723 14.827 -4.208 524 HD2 ASP 79 HD2 ASP 79 10.410 18.098 -3.379 525 H GLY 80 H GLY 80 8.809 13.021 -5.427 526 1HA GLY 80 1HA GLY 80 7.546 12.952 -7.783 527 2HA GLY 80 2HA GLY 80 8.449 14.446 -7.929 528 H THR 81 H THR 81 10.619 13.330 -6.049 529 HA THR 81 HA THR 81 12.199 12.158 -8.139 530 HB THR 81 HB THR 81 12.923 12.445 -5.191 531 HG1 THR 81 1HG THR 81 12.862 14.646 -5.558 532 1HG2 THR 81 1HG2 THR 81 14.508 11.526 -7.131 533 2HG2 THR 81 2HG2 THR 81 14.588 13.243 -7.597 534 3HG2 THR 81 3HG2 THR 81 15.132 12.733 -5.979 535 H ARG 82 H ARG 82 12.978 10.080 -8.351 536 HA ARG 82 HA ARG 82 11.396 8.159 -6.905 537 1HB ARG 82 1HB ARG 82 11.568 8.001 -9.381 538 2HB ARG 82 2HB ARG 82 13.324 7.797 -9.255 539 1HG ARG 82 1HG ARG 82 12.490 5.824 -7.572 540 2HG ARG 82 2HG ARG 82 11.114 5.861 -8.689 541 1HD ARG 82 1HD ARG 82 13.787 5.953 -9.986 542 2HD ARG 82 2HD ARG 82 13.453 4.450 -9.113 543 HE ARG 82 HE ARG 82 11.744 3.950 -10.666 544 1HH1 ARG 82 1HH1 ARG 82 12.917 7.230 -11.156 545 2HH1 ARG 82 2HH1 ARG 82 12.101 7.432 -12.670 546 1HH2 ARG 82 1HH2 ARG 82 10.670 4.213 -12.664 547 2HH2 ARG 82 2HH2 ARG 82 10.813 5.704 -13.535 548 H TRP 83 H TRP 83 12.295 6.550 -5.529 549 HA TRP 83 HA TRP 83 15.110 7.012 -4.842 550 1HB TRP 83 1HB TRP 83 13.481 7.414 -3.069 551 2HB TRP 83 2HB TRP 83 12.885 5.759 -3.222 552 HD1 TRP 83 HD TRP 83 13.961 4.148 -1.478 553 HE1 TRP 83 1HE TRP 83 16.155 3.981 -0.020 554 HE3 TRP 83 3HE TRP 83 16.160 8.328 -3.364 555 HZ2 TRP 83 2HZ TRP 83 18.511 5.580 0.174 556 HZ3 TRP 83 3HZ TRP 83 18.407 8.955 -2.486 557 HH2 TRP 83 HH TRP 83 19.581 7.656 -0.778 558 H GLY 84 H GLY 84 13.063 4.147 -4.138 559 1HA GLY 84 1HA GLY 84 13.313 2.334 -5.951 560 2HA GLY 84 2HA GLY 84 15.019 2.493 -5.588 561 H THR 85 H THR 85 15.785 2.028 -3.364 562 HA THR 85 HA THR 85 15.850 0.822 -1.496 563 HB THR 85 HB THR 85 12.881 1.439 -1.710 564 HG1 THR 85 1HG THR 85 15.085 2.639 -0.871 565 1HG2 THR 85 1HG2 THR 85 12.343 -0.152 -0.164 566 2HG2 THR 85 2HG2 THR 85 14.016 -0.759 -0.184 567 3HG2 THR 85 3HG2 THR 85 13.556 0.546 0.935 568 H VAL 86 H VAL 86 13.052 -0.405 -3.455 569 HA VAL 86 HA VAL 86 12.709 -2.397 -4.366 570 HB VAL 86 HB VAL 86 15.579 -2.974 -3.606 571 1HG1 VAL 86 1HG1 VAL 86 15.211 -4.581 -5.682 572 2HG1 VAL 86 2HG1 VAL 86 14.788 -5.092 -4.029 573 3HG1 VAL 86 3HG1 VAL 86 13.517 -4.518 -5.137 574 1HG2 VAL 86 1HG2 VAL 86 16.201 -2.285 -5.796 575 2HG2 VAL 86 2HG2 VAL 86 14.505 -2.169 -6.321 576 3HG2 VAL 86 3HG2 VAL 86 15.156 -1.001 -5.146 577 H ASP 87 H ASP 87 14.943 -4.165 -2.342 578 HA ASP 87 HA ASP 87 13.013 -5.712 -1.232 579 1HB ASP 87 1HB ASP 87 15.787 -5.518 -1.128 580 2HB ASP 87 2HB ASP 87 15.327 -5.247 0.558 581 HD2 ASP 87 HD2 ASP 87 15.518 -8.688 0.712 582 H CYS 88 H CYS 88 11.260 -4.412 -0.358 583 HA CYS 88 HA CYS 88 11.794 -2.354 1.519 584 1HB CYS 88 1HB CYS 88 9.870 -2.235 0.081 585 2HB CYS 88 2HB CYS 88 9.229 -3.747 0.731 586 H THR 89 H THR 89 13.278 -4.194 2.647 587 HA THR 89 HA THR 89 11.621 -5.720 4.528 588 HB THR 89 HB THR 89 13.392 -6.857 3.072 589 HG1 THR 89 1HG THR 89 13.306 -8.113 4.889 590 1HG2 THR 89 1HG2 THR 89 15.134 -5.012 3.256 591 2HG2 THR 89 2HG2 THR 89 15.288 -5.403 4.986 592 3HG2 THR 89 3HG2 THR 89 15.739 -6.611 3.758 593 H THR 90 H THR 90 13.761 -2.952 4.235 594 HA THR 90 HA THR 90 14.155 -2.848 7.118 595 HB THR 90 HB THR 90 15.162 -1.292 4.693 596 HG1 THR 90 1HG THR 90 16.919 -2.571 5.215 597 1HG2 THR 90 1HG2 THR 90 15.388 -0.663 7.665 598 2HG2 THR 90 2HG2 THR 90 16.716 -0.261 6.551 599 3HG2 THR 90 3HG2 THR 90 15.106 0.463 6.317 600 H ALA 91 H ALA 91 12.518 -0.972 4.500 601 HA ALA 91 HA ALA 91 11.277 0.680 6.540 602 1HB ALA 91 1HB ALA 91 11.587 2.170 4.877 603 2HB ALA 91 2HB ALA 91 11.948 0.883 3.701 604 3HB ALA 91 3HB ALA 91 10.260 1.355 4.015 605 H ALA 92 H ALA 92 8.992 0.792 6.862 606 HA ALA 92 HA ALA 92 7.683 -1.727 6.279 607 1HB ALA 92 1HB ALA 92 7.629 -0.796 8.557 608 2HB ALA 92 2HB ALA 92 6.857 0.686 7.944 609 3HB ALA 92 3HB ALA 92 5.989 -0.867 7.868 610 H CYS 93 H CYS 93 6.475 -1.993 4.478 611 HA CYS 93 HA CYS 93 5.633 0.387 3.063 612 1HB CYS 93 1HB CYS 93 4.814 -2.037 1.783 613 2HB CYS 93 2HB CYS 93 5.958 -0.808 1.234 614 H GLN 94 H GLN 94 3.560 1.172 3.266 615 HA GLN 94 HA GLN 94 1.682 -0.535 4.664 616 1HB GLN 94 1HB GLN 94 1.734 2.450 4.106 617 2HB GLN 94 2HB GLN 94 0.364 1.639 4.883 618 1HG GLN 94 1HG GLN 94 1.472 1.425 6.861 619 2HG GLN 94 2HG GLN 94 2.998 0.985 6.081 620 1HE2 GLN 94 1HE2 GLN 94 2.421 2.806 8.298 621 2HE2 GLN 94 2HE2 GLN 94 3.047 4.361 7.861 622 H VAL 95 H VAL 95 0.230 -1.686 3.471 623 HA VAL 95 HA VAL 95 -0.240 -0.868 0.730 624 HB VAL 95 HB VAL 95 -1.286 -3.266 2.243 625 1HG1 VAL 95 1HG1 VAL 95 -2.446 -2.726 0.126 626 2HG1 VAL 95 2HG1 VAL 95 -0.887 -2.797 -0.732 627 3HG1 VAL 95 3HG1 VAL 95 -1.551 -4.260 0.033 628 1HG2 VAL 95 1HG2 VAL 95 0.843 -4.005 0.516 629 2HG2 VAL 95 2HG2 VAL 95 1.420 -2.643 1.508 630 3HG2 VAL 95 3HG2 VAL 95 0.778 -4.106 2.293 631 H GLY 96 H GLY 96 -1.692 0.764 0.476 632 1HA GLY 96 1HA GLY 96 -4.370 0.351 1.545 633 2HA GLY 96 2HA GLY 96 -3.530 1.784 2.099 634 H LEU 97 H LEU 97 -5.784 2.339 0.764 635 HA LEU 97 HA LEU 97 -4.962 2.861 -2.002 636 1HB LEU 97 1HB LEU 97 -7.350 3.145 -2.448 637 2HB LEU 97 2HB LEU 97 -6.929 1.518 -1.883 638 HG LEU 97 HG LEU 97 -8.007 3.619 -0.007 639 1HD1 LEU 97 1HD1 LEU 97 -10.124 1.894 -0.686 640 2HD1 LEU 97 2HD1 LEU 97 -9.973 3.635 -1.031 641 3HD1 LEU 97 3HD1 LEU 97 -9.418 2.437 -2.226 642 1HD2 LEU 97 1HD2 LEU 97 -7.094 0.952 0.291 643 2HD2 LEU 97 2HD2 LEU 97 -7.834 2.013 1.512 644 3HD2 LEU 97 3HD2 LEU 97 -8.858 0.937 0.532 645 H SER 98 H SER 98 -4.554 4.922 -2.636 646 HA SER 98 HA SER 98 -4.843 6.934 -0.605 647 1HB SER 98 1HB SER 98 -3.482 8.328 -2.116 648 2HB SER 98 2HB SER 98 -2.715 6.752 -1.847 649 HG SER 98 HG SER 98 -3.666 7.916 -4.194 650 H ASP 99 H ASP 99 -5.677 9.179 -1.312 651 HA ASP 99 HA ASP 99 -8.168 8.741 -2.657 652 1HB ASP 99 1HB ASP 99 -7.407 11.496 -1.847 653 2HB ASP 99 2HB ASP 99 -8.899 10.604 -1.519 654 HD2 ASP 99 HD2 ASP 99 -6.864 11.150 1.522 655 H ALA 100 H ALA 100 -8.884 10.370 -4.388 656 HA ALA 100 HA ALA 100 -6.759 10.723 -6.288 657 1HB ALA 100 1HB ALA 100 -9.760 11.145 -6.254 658 2HB ALA 100 2HB ALA 100 -8.762 11.704 -7.618 659 3HB ALA 100 3HB ALA 100 -8.806 9.975 -7.197 660 H ALA 101 H ALA 101 -7.596 12.402 -3.561 661 HA ALA 101 HA ALA 101 -7.531 15.051 -4.696 662 1HB ALA 101 1HB ALA 101 -7.194 15.239 -1.932 663 2HB ALA 101 2HB ALA 101 -8.742 15.309 -2.809 664 3HB ALA 101 3HB ALA 101 -8.167 13.763 -2.137 665 H GLY 102 H GLY 102 -5.639 14.057 -1.828 666 1HA GLY 102 1HA GLY 102 -3.113 14.007 -3.130 667 2HA GLY 102 2HA GLY 102 -3.417 15.588 -2.438 668 H ASN 103 H ASN 103 -4.709 12.505 -1.122 669 HA ASN 103 HA ASN 103 -2.697 12.562 0.940 670 1HB ASN 103 1HB ASN 103 -5.590 12.316 1.795 671 2HB ASN 103 2HB ASN 103 -4.197 12.817 2.762 672 1HD2 ASN 103 1HD2 ASN 103 -6.919 13.798 1.134 673 2HD2 ASN 103 2HD2 ASN 103 -6.601 15.492 0.962 674 H GLY 104 H GLY 104 -2.809 10.475 2.266 675 1HA GLY 104 1HA GLY 104 -4.599 8.390 1.527 676 2HA GLY 104 2HA GLY 104 -3.064 8.212 0.701 677 HA PRO 105 HA PRO 105 -2.061 7.969 5.321 678 1HB PRO 105 1HB PRO 105 -4.028 8.328 7.184 679 2HB PRO 105 2HB PRO 105 -2.945 9.619 6.664 680 1HG PRO 105 1HG PRO 105 -5.763 9.103 5.954 681 2HG PRO 105 2HG PRO 105 -4.832 10.639 5.820 682 1HD PRO 105 1HD PRO 105 -5.592 8.828 3.733 683 2HD PRO 105 2HD PRO 105 -4.541 10.242 3.574 684 H GLU 106 H GLU 106 -4.356 6.407 3.658 685 HA GLU 106 HA GLU 106 -4.775 4.363 5.624 686 1HB GLU 106 1HB GLU 106 -6.000 5.213 3.133 687 2HB GLU 106 2HB GLU 106 -5.701 3.467 3.098 688 1HG GLU 106 1HG GLU 106 -7.640 3.301 4.262 689 2HG GLU 106 2HG GLU 106 -6.705 3.850 5.661 690 HE2 GLU 106 HE2 GLU 106 -9.622 6.047 4.863 691 H GLY 107 H GLY 107 -3.982 2.190 5.492 692 1HA GLY 107 1HA GLY 107 -2.731 0.803 3.644 693 2HA GLY 107 2HA GLY 107 -1.477 1.974 4.001 694 H VAL 108 H VAL 108 -2.195 -1.106 4.619 695 HA VAL 108 HA VAL 108 -1.762 -1.021 7.498 696 HB VAL 108 HB VAL 108 -3.510 -2.457 6.398 697 1HG1 VAL 108 1HG1 VAL 108 -1.344 -4.408 5.687 698 2HG1 VAL 108 2HG1 VAL 108 -3.004 -4.264 5.058 699 3HG1 VAL 108 3HG1 VAL 108 -1.753 -3.110 4.538 700 1HG2 VAL 108 1HG2 VAL 108 -2.154 -2.843 8.668 701 2HG2 VAL 108 2HG2 VAL 108 -3.378 -3.995 8.083 702 3HG2 VAL 108 3HG2 VAL 108 -1.650 -4.320 7.809 703 H ALA 109 H ALA 109 0.211 -1.331 8.417 704 HA ALA 109 HA ALA 109 2.507 -1.372 6.830 705 1HB ALA 109 1HB ALA 109 2.143 -2.121 9.760 706 2HB ALA 109 2HB ALA 109 3.671 -1.647 8.975 707 3HB ALA 109 3HB ALA 109 2.348 -0.467 9.137 708 H ILE 110 H ILE 110 2.367 -3.101 5.316 709 HA ILE 110 HA ILE 110 2.115 -5.780 6.370 710 HB ILE 110 HB ILE 110 1.250 -4.653 4.103 711 1HG1 ILE 110 1HG1 ILE 110 2.080 -7.537 4.475 712 2HG1 ILE 110 2HG1 ILE 110 0.542 -6.809 4.971 713 1HG2 ILE 110 1HG2 ILE 110 3.770 -4.452 3.451 714 2HG2 ILE 110 2HG2 ILE 110 3.611 -6.178 3.049 715 3HG2 ILE 110 3HG2 ILE 110 2.575 -4.977 2.242 716 1HD1 ILE 110 1HD1 ILE 110 0.786 -8.127 2.655 717 2HD1 ILE 110 2HD1 ILE 110 -0.247 -6.683 2.782 718 3HD1 ILE 110 3HD1 ILE 110 1.387 -6.550 2.091 719 H SER 111 H SER 111 3.751 -7.416 6.192 720 HA SER 111 HA SER 111 6.117 -7.393 5.116 721 1HB SER 111 1HB SER 111 7.565 -6.453 7.167 722 2HB SER 111 2HB SER 111 7.068 -5.412 5.819 723 HG SER 111 HG SER 111 6.392 -4.240 7.537 724 H PHE 112 H PHE 112 5.200 -7.276 8.647 725 HA PHE 112 HA PHE 112 5.329 -10.151 8.755 726 1HB PHE 112 1HB PHE 112 7.668 -8.839 9.143 727 2HB PHE 112 2HB PHE 112 6.984 -8.556 10.747 728 HD1 PHE 112 1HD PHE 112 6.987 -11.517 8.464 729 HD2 PHE 112 2HD PHE 112 8.018 -9.942 12.268 730 HE1 PHE 112 1HE PHE 112 7.786 -13.784 9.188 731 HE2 PHE 112 2HE PHE 112 8.818 -12.208 12.990 732 HZ PHE 112 HZ PHE 112 8.692 -14.103 11.442 733 H ASN 113 H ASN 113 3.615 -10.781 9.974 734 HA ASN 113 HA ASN 113 1.888 -9.143 11.163 735 1HB ASN 113 1HB ASN 113 1.224 -11.126 12.595 736 2HB ASN 113 2HB ASN 113 1.419 -11.532 10.883 737 1HD2 ASN 113 1HD2 ASN 113 1.781 -12.840 13.695 738 2HD2 ASN 113 2HD2 ASN 113 3.262 -13.728 13.552 739 6H NCZ 130 6H NCZ 130 0.233 13.903 0.122 740 6H1 NCZ 130 6H1 NCZ 130 -1.142 11.337 -0.002 741 5H1 NCZ 130 5H1 NCZ 130 -1.284 12.552 2.342 742 4H1 NCZ 130 4H1 NCZ 130 1.271 12.280 3.338 743 5H NCZ 130 5H NCZ 130 3.368 12.285 0.370 744 3H1 NCZ 130 3H1 NCZ 130 2.372 10.737 1.804 745 2H1 NCZ 130 2H1 NCZ 130 1.482 11.524 -0.586 746 2H NCZ 130 2H NCZ 130 -0.195 8.653 -3.714 747 8H NCZ 130 8H NCZ 130 -1.010 5.547 -3.597 748 7H NCZ 130 7H NCZ 130 -1.585 4.241 -1.579 749 3H NCZ 130 3H NCZ 130 -0.607 4.652 3.002 750 1H17 NCZ 130 1H17 NCZ 130 1.518 8.071 4.986 751 2H17 NCZ 130 2H17 NCZ 130 2.062 8.403 3.324 752 3H17 NCZ 130 3H17 NCZ 130 0.388 8.768 3.802 753 1H18 NCZ 130 1H18 NCZ 130 -1.510 3.112 -0.145 754 2H18 NCZ 130 2H18 NCZ 130 -1.298 2.904 1.611 755 3H18 NCZ 130 3H18 NCZ 130 -2.683 3.829 0.985 756 1H NCZ 130 1H NCZ 130 1.245 8.047 1.264 Start of MODEL 11 1 H ALA 1 H ALA 1 -14.812 -5.539 13.612 2 HA ALA 1 HA ALA 1 -14.284 -7.810 12.444 3 1HB ALA 1 1HB ALA 1 -15.995 -7.289 10.766 4 2HB ALA 1 2HB ALA 1 -16.441 -6.580 12.336 5 3HB ALA 1 3HB ALA 1 -15.772 -5.547 11.052 6 H ALA 2 H ALA 2 -13.815 -4.725 10.568 7 HA ALA 2 HA ALA 2 -11.397 -5.879 9.437 8 1HB ALA 2 1HB ALA 2 -12.911 -6.639 7.791 9 2HB ALA 2 2HB ALA 2 -13.902 -5.164 7.891 10 3HB ALA 2 3HB ALA 2 -12.296 -5.107 7.128 11 HA PRO 3 HA PRO 3 -10.641 -1.632 10.347 12 1HB PRO 3 1HB PRO 3 -7.925 -1.847 10.544 13 2HB PRO 3 2HB PRO 3 -9.013 -2.103 11.907 14 1HG PRO 3 1HG PRO 3 -7.564 -4.061 10.242 15 2HG PRO 3 2HG PRO 3 -8.264 -4.285 11.886 16 1HD PRO 3 1HD PRO 3 -9.275 -5.225 9.376 17 2HD PRO 3 2HD PRO 3 -10.082 -5.332 10.947 18 H THR 4 H THR 4 -11.443 -0.842 8.382 19 HA THR 4 HA THR 4 -11.274 -0.179 6.243 20 HB THR 4 HB THR 4 -9.794 1.643 6.130 21 HG1 THR 4 1HG THR 4 -7.592 1.322 7.087 22 1HG2 THR 4 1HG2 THR 4 -9.130 0.998 9.019 23 2HG2 THR 4 2HG2 THR 4 -9.526 2.571 8.288 24 3HG2 THR 4 3HG2 THR 4 -10.815 1.381 8.584 25 H ALA 5 H ALA 5 -8.927 0.169 4.574 26 HA ALA 5 HA ALA 5 -8.895 -2.398 3.424 27 1HB ALA 5 1HB ALA 5 -7.549 0.250 2.968 28 2HB ALA 5 2HB ALA 5 -6.895 -1.188 2.147 29 3HB ALA 5 3HB ALA 5 -8.585 -0.705 1.880 30 H THR 6 H THR 6 -7.765 -4.166 4.044 31 HA THR 6 HA THR 6 -5.062 -3.810 5.044 32 HB THR 6 HB THR 6 -5.836 -5.463 6.984 33 HG1 THR 6 1HG THR 6 -8.046 -5.406 5.850 34 1HG2 THR 6 1HG2 THR 6 -6.610 -2.498 6.958 35 2HG2 THR 6 2HG2 THR 6 -6.537 -3.512 8.420 36 3HG2 THR 6 3HG2 THR 6 -5.053 -3.167 7.501 37 H VAL 7 H VAL 7 -3.751 -5.673 4.838 38 HA VAL 7 HA VAL 7 -4.690 -7.405 2.748 39 HB VAL 7 HB VAL 7 -2.079 -7.520 4.254 40 1HG1 VAL 7 1HG1 VAL 7 -1.782 -8.025 1.482 41 2HG1 VAL 7 2HG1 VAL 7 -1.630 -9.175 2.831 42 3HG1 VAL 7 3HG1 VAL 7 -3.201 -8.953 2.023 43 1HG2 VAL 7 1HG2 VAL 7 -1.147 -5.963 2.615 44 2HG2 VAL 7 2HG2 VAL 7 -2.748 -5.778 1.857 45 3HG2 VAL 7 3HG2 VAL 7 -2.478 -5.200 3.518 46 H THR 8 H THR 8 -5.412 -9.489 2.938 47 HA THR 8 HA THR 8 -6.505 -10.473 5.189 48 HB THR 8 HB THR 8 -5.440 -11.587 2.623 49 HG1 THR 8 1HG THR 8 -7.692 -12.117 2.591 50 1HG2 THR 8 1HG2 THR 8 -4.781 -13.566 3.653 51 2HG2 THR 8 2HG2 THR 8 -5.688 -13.205 5.141 52 3HG2 THR 8 3HG2 THR 8 -6.537 -13.846 3.716 53 HA PRO 9 HA PRO 9 -2.589 -12.630 6.568 54 1HB PRO 9 1HB PRO 9 -0.291 -12.499 5.098 55 2HB PRO 9 2HB PRO 9 -1.445 -13.823 4.964 56 1HG PRO 9 1HG PRO 9 -0.973 -11.531 3.167 57 2HG PRO 9 2HG PRO 9 -1.783 -13.098 2.801 58 1HD PRO 9 1HD PRO 9 -2.979 -10.531 3.228 59 2HD PRO 9 2HD PRO 9 -3.827 -12.070 3.029 60 H SER 10 H SER 10 0.145 -11.947 6.818 61 HA SER 10 HA SER 10 -0.032 -9.114 7.375 62 1HB SER 10 1HB SER 10 -0.519 -10.884 9.397 63 2HB SER 10 2HB SER 10 1.239 -10.719 9.543 64 HG SER 10 HG SER 10 0.958 -8.424 9.737 65 H SER 11 H SER 11 1.897 -12.164 7.290 66 HA SER 11 HA SER 11 4.381 -10.945 7.392 67 1HB SER 11 1HB SER 11 3.462 -13.574 6.174 68 2HB SER 11 2HB SER 11 5.171 -13.124 6.329 69 HG SER 11 HG SER 11 3.233 -13.666 8.389 70 H GLY 12 H GLY 12 4.076 -9.048 5.948 71 1HA GLY 12 1HA GLY 12 3.579 -9.426 3.157 72 2HA GLY 12 2HA GLY 12 4.096 -7.960 3.966 73 H LEU 13 H LEU 13 6.099 -10.610 4.858 74 HA LEU 13 HA LEU 13 8.284 -9.485 3.392 75 1HB LEU 13 1HB LEU 13 8.045 -11.851 5.243 76 2HB LEU 13 2HB LEU 13 9.570 -11.280 4.540 77 HG LEU 13 HG LEU 13 8.133 -9.138 5.885 78 1HD1 LEU 13 1HD1 LEU 13 7.352 -11.223 7.169 79 2HD1 LEU 13 2HD1 LEU 13 9.034 -11.332 7.746 80 3HD1 LEU 13 3HD1 LEU 13 8.066 -9.883 8.100 81 1HD2 LEU 13 1HD2 LEU 13 10.411 -9.241 7.199 82 2HD2 LEU 13 2HD2 LEU 13 10.877 -10.337 5.876 83 3HD2 LEU 13 3HD2 LEU 13 10.348 -8.677 5.511 84 H SER 14 H SER 14 6.089 -10.483 1.741 85 HA SER 14 HA SER 14 7.574 -12.603 0.398 86 1HB SER 14 1HB SER 14 5.539 -13.533 1.390 87 2HB SER 14 2HB SER 14 4.547 -12.283 0.616 88 HG SER 14 HG SER 14 6.214 -13.891 -1.046 89 H ASP 15 H ASP 15 8.612 -10.715 -0.726 90 HA ASP 15 HA ASP 15 7.325 -8.765 -2.049 91 1HB ASP 15 1HB ASP 15 9.261 -8.837 -3.671 92 2HB ASP 15 2HB ASP 15 9.746 -8.842 -1.970 93 HD2 ASP 15 HD2 ASP 15 10.995 -11.688 -4.281 94 H GLY 16 H GLY 16 5.320 -9.486 -3.029 95 1HA GLY 16 1HA GLY 16 4.567 -9.855 -5.306 96 2HA GLY 16 2HA GLY 16 5.676 -11.209 -5.408 97 H THR 17 H THR 17 3.729 -10.411 -2.498 98 HA THR 17 HA THR 17 2.488 -13.043 -2.712 99 HB THR 17 HB THR 17 3.408 -11.233 -0.601 100 HG1 THR 17 1HG THR 17 2.929 -13.432 0.479 101 1HG2 THR 17 1HG2 THR 17 1.116 -10.637 -0.106 102 2HG2 THR 17 2HG2 THR 17 0.537 -12.274 -0.503 103 3HG2 THR 17 3HG2 THR 17 1.495 -12.001 0.972 104 H VAL 18 H VAL 18 0.573 -13.326 -3.644 105 HA VAL 18 HA VAL 18 -1.082 -10.987 -4.081 106 HB VAL 18 HB VAL 18 -1.646 -13.814 -4.947 107 1HG1 VAL 18 1HG1 VAL 18 -2.366 -12.140 -6.988 108 2HG1 VAL 18 2HG1 VAL 18 -3.460 -12.707 -5.703 109 3HG1 VAL 18 3HG1 VAL 18 -2.676 -11.116 -5.565 110 1HG2 VAL 18 1HG2 VAL 18 0.682 -13.326 -5.568 111 2HG2 VAL 18 2HG2 VAL 18 -0.371 -13.397 -7.002 112 3HG2 VAL 18 3HG2 VAL 18 0.159 -11.821 -6.362 113 H VAL 19 H VAL 19 -2.632 -10.397 -2.662 114 HA VAL 19 HA VAL 19 -4.084 -12.512 -1.288 115 HB VAL 19 HB VAL 19 -3.884 -10.956 0.796 116 1HG1 VAL 19 1HG1 VAL 19 -3.042 -12.965 1.360 117 2HG1 VAL 19 2HG1 VAL 19 -2.215 -13.165 -0.204 118 3HG1 VAL 19 3HG1 VAL 19 -1.455 -12.207 1.089 119 1HG2 VAL 19 1HG2 VAL 19 -1.531 -10.114 -0.893 120 2HG2 VAL 19 2HG2 VAL 19 -2.670 -9.110 0.037 121 3HG2 VAL 19 3HG2 VAL 19 -1.443 -10.082 0.884 122 H LYS 20 H LYS 20 -5.855 -11.144 0.187 123 HA LYS 20 HA LYS 20 -7.037 -9.300 -1.770 124 1HB LYS 20 1HB LYS 20 -8.157 -11.535 -1.264 125 2HB LYS 20 2HB LYS 20 -8.549 -10.862 0.328 126 1HG LYS 20 1HG LYS 20 -9.951 -9.211 -0.582 127 2HG LYS 20 2HG LYS 20 -9.194 -9.293 -2.183 128 1HD LYS 20 1HD LYS 20 -10.171 -11.873 -1.805 129 2HD LYS 20 2HD LYS 20 -11.424 -10.870 -1.054 130 1HE LYS 20 1HE LYS 20 -11.462 -9.478 -3.164 131 2HE LYS 20 2HE LYS 20 -10.340 -10.633 -3.902 132 1HZ LYS 20 1HZ LYS 20 -12.445 -11.334 -4.503 133 2HZ LYS 20 2HZ LYS 20 -12.072 -12.330 -3.263 134 3HZ LYS 20 3HZ LYS 20 -13.095 -11.078 -3.026 135 H VAL 21 H VAL 21 -7.511 -7.228 -1.161 136 HA VAL 21 HA VAL 21 -6.876 -6.574 1.630 137 HB VAL 21 HB VAL 21 -6.703 -4.999 -0.939 138 1HG1 VAL 21 1HG1 VAL 21 -7.592 -3.481 0.705 139 2HG1 VAL 21 2HG1 VAL 21 -6.407 -4.022 1.918 140 3HG1 VAL 21 3HG1 VAL 21 -5.862 -3.119 0.484 141 1HG2 VAL 21 1HG2 VAL 21 -4.324 -4.837 0.563 142 2HG2 VAL 21 2HG2 VAL 21 -4.834 -6.540 0.640 143 3HG2 VAL 21 3HG2 VAL 21 -4.601 -5.751 -0.938 144 H ALA 22 H ALA 22 -8.759 -6.628 2.782 145 HA ALA 22 HA ALA 22 -11.184 -5.668 1.502 146 1HB ALA 22 1HB ALA 22 -11.067 -6.595 4.354 147 2HB ALA 22 2HB ALA 22 -12.306 -6.890 3.108 148 3HB ALA 22 3HB ALA 22 -10.773 -7.793 3.070 149 H GLY 23 H GLY 23 -11.945 -3.625 1.757 150 1HA GLY 23 1HA GLY 23 -10.713 -1.995 3.895 151 2HA GLY 23 2HA GLY 23 -11.240 -1.391 2.337 152 H ALA 24 H ALA 24 -12.216 -2.339 5.583 153 HA ALA 24 HA ALA 24 -15.027 -1.889 4.931 154 1HB ALA 24 1HB ALA 24 -14.500 -2.469 7.714 155 2HB ALA 24 2HB ALA 24 -15.376 -3.447 6.511 156 3HB ALA 24 3HB ALA 24 -13.613 -3.622 6.687 157 H GLY 25 H GLY 25 -15.861 0.122 5.141 158 1HA GLY 25 1HA GLY 25 -16.286 2.151 6.041 159 2HA GLY 25 2HA GLY 25 -15.282 1.744 7.418 160 H LEU 26 H LEU 26 -14.306 1.706 3.944 161 HA LEU 26 HA LEU 26 -12.229 3.640 4.640 162 1HB LEU 26 1HB LEU 26 -11.759 1.346 3.653 163 2HB LEU 26 2HB LEU 26 -12.395 1.992 2.129 164 HG LEU 26 HG LEU 26 -9.977 2.957 3.674 165 1HD1 LEU 26 1HD1 LEU 26 -10.314 1.477 1.062 166 2HD1 LEU 26 2HD1 LEU 26 -8.814 2.319 1.515 167 3HD1 LEU 26 3HD1 LEU 26 -9.418 0.976 2.514 168 1HD2 LEU 26 1HD2 LEU 26 -9.626 4.585 1.898 169 2HD2 LEU 26 2HD2 LEU 26 -11.142 4.082 1.113 170 3HD2 LEU 26 3HD2 LEU 26 -11.184 4.862 2.712 171 H GLN 27 H GLN 27 -12.896 3.341 1.274 172 HA GLN 27 HA GLN 27 -13.254 5.948 0.827 173 1HB GLN 27 1HB GLN 27 -14.360 3.536 -0.637 174 2HB GLN 27 2HB GLN 27 -14.552 5.178 -1.279 175 1HG GLN 27 1HG GLN 27 -12.525 4.852 -2.239 176 2HG GLN 27 2HG GLN 27 -11.846 5.085 -0.622 177 1HE2 GLN 27 1HE2 GLN 27 -11.937 3.126 -3.260 178 2HE2 GLN 27 2HE2 GLN 27 -11.439 1.614 -2.577 179 H ALA 28 H ALA 28 -15.554 3.730 2.267 180 HA ALA 28 HA ALA 28 -17.564 4.029 3.140 181 1HB ALA 28 1HB ALA 28 -17.755 5.969 4.270 182 2HB ALA 28 2HB ALA 28 -16.279 6.505 3.431 183 3HB ALA 28 3HB ALA 28 -17.879 6.910 2.765 184 H GLY 29 H GLY 29 -16.939 3.877 0.110 185 1HA GLY 29 1HA GLY 29 -18.853 3.248 -1.278 186 2HA GLY 29 2HA GLY 29 -19.616 4.751 -0.800 187 H THR 30 H THR 30 -16.419 5.595 -0.932 188 HA THR 30 HA THR 30 -16.746 6.712 -3.596 189 HB THR 30 HB THR 30 -14.338 7.196 -1.844 190 HG1 THR 30 1HG THR 30 -17.133 7.992 -1.417 191 1HG2 THR 30 1HG2 THR 30 -16.068 8.678 -3.795 192 2HG2 THR 30 2HG2 THR 30 -15.506 9.618 -2.390 193 3HG2 THR 30 3HG2 THR 30 -14.324 8.847 -3.476 194 H ALA 31 H ALA 31 -13.971 6.955 -4.255 195 HA ALA 31 HA ALA 31 -13.003 4.233 -4.448 196 1HB ALA 31 1HB ALA 31 -12.885 4.373 -6.942 197 2HB ALA 31 2HB ALA 31 -14.555 4.335 -6.328 198 3HB ALA 31 3HB ALA 31 -13.841 5.873 -6.875 199 H TYR 32 H TYR 32 -10.751 4.154 -4.879 200 HA TYR 32 HA TYR 32 -9.400 6.644 -5.473 201 1HB TYR 32 1HB TYR 32 -9.308 5.021 -2.876 202 2HB TYR 32 2HB TYR 32 -7.935 6.033 -3.339 203 HD1 TYR 32 1HD TYR 32 -9.350 8.411 -4.451 204 HD2 TYR 32 2HD TYR 32 -10.173 6.063 -0.971 205 HE1 TYR 32 1HE TYR 32 -10.483 10.409 -3.364 206 HE2 TYR 32 2HE TYR 32 -11.303 8.070 0.106 207 HH TYR 32 HH TYR 32 -12.083 10.877 -1.690 208 H ASP 33 H ASP 33 -6.796 5.929 -4.909 209 HA ASP 33 HA ASP 33 -6.511 3.668 -6.698 210 1HB ASP 33 1HB ASP 33 -4.626 5.892 -5.830 211 2HB ASP 33 2HB ASP 33 -4.091 4.525 -6.820 212 HD2 ASP 33 HD2 ASP 33 -6.539 7.163 -8.539 213 H VAL 34 H VAL 34 -5.652 1.728 -5.894 214 HA VAL 34 HA VAL 34 -4.858 1.717 -3.098 215 HB VAL 34 HB VAL 34 -6.359 0.038 -4.738 216 1HG1 VAL 34 1HG1 VAL 34 -5.252 -2.028 -4.946 217 2HG1 VAL 34 2HG1 VAL 34 -4.058 -0.830 -5.498 218 3HG1 VAL 34 3HG1 VAL 34 -3.926 -1.531 -3.866 219 1HG2 VAL 34 1HG2 VAL 34 -5.736 0.388 -1.991 220 2HG2 VAL 34 2HG2 VAL 34 -7.088 -0.521 -2.707 221 3HG2 VAL 34 3HG2 VAL 34 -5.554 -1.346 -2.348 222 H GLY 35 H GLY 35 -2.849 0.765 -2.377 223 1HA GLY 35 1HA GLY 35 -0.843 -0.289 -3.899 224 2HA GLY 35 2HA GLY 35 -0.647 1.441 -4.088 225 H GLN 36 H GLN 36 1.245 -0.316 -2.767 226 HA GLN 36 HA GLN 36 0.836 0.271 0.034 227 1HB GLN 36 1HB GLN 36 3.309 -1.104 -0.939 228 2HB GLN 36 2HB GLN 36 2.321 -1.446 0.492 229 1HG GLN 36 1HG GLN 36 1.195 -3.044 -0.629 230 2HG GLN 36 2HG GLN 36 0.744 -1.898 -1.899 231 1HE2 GLN 36 1HE2 GLN 36 3.064 -1.196 -3.029 232 2HE2 GLN 36 2HE2 GLN 36 3.873 -2.546 -3.755 233 H CYS 37 H CYS 37 1.371 2.363 0.559 234 HA CYS 37 HA CYS 37 3.828 3.413 -0.633 235 1HB CYS 37 1HB CYS 37 1.548 4.582 -0.911 236 2HB CYS 37 2HB CYS 37 1.755 5.079 0.772 237 H ALA 38 H ALA 38 5.233 4.709 0.882 238 HA ALA 38 HA ALA 38 4.879 4.821 3.610 239 1HB ALA 38 1HB ALA 38 5.876 2.195 2.601 240 2HB ALA 38 2HB ALA 38 6.732 2.890 3.998 241 3HB ALA 38 3HB ALA 38 4.980 2.585 4.091 242 H TRP 39 H TRP 39 6.943 5.468 4.729 243 HA TRP 39 HA TRP 39 8.398 7.210 3.081 244 1HB TRP 39 1HB TRP 39 9.590 7.797 5.015 245 2HB TRP 39 2HB TRP 39 7.929 7.483 5.521 246 HD1 TRP 39 HD TRP 39 7.590 4.927 6.741 247 HE1 TRP 39 1HE TRP 39 9.150 3.579 8.387 248 HE3 TRP 39 3HE TRP 39 11.864 7.419 5.568 249 HZ2 TRP 39 2HZ TRP 39 11.935 3.703 9.000 250 HZ3 TRP 39 3HZ TRP 39 13.960 6.743 6.735 251 HH2 TRP 39 HH TRP 39 14.040 4.956 8.399 252 H VAL 40 H VAL 40 9.730 6.458 1.473 253 HA VAL 40 HA VAL 40 11.274 4.039 2.033 254 HB VAL 40 HB VAL 40 9.787 4.909 -0.159 255 1HG1 VAL 40 1HG1 VAL 40 11.446 5.016 -1.995 256 2HG1 VAL 40 2HG1 VAL 40 11.583 6.390 -0.871 257 3HG1 VAL 40 3HG1 VAL 40 12.753 5.052 -0.787 258 1HG2 VAL 40 1HG2 VAL 40 11.759 2.674 0.309 259 2HG2 VAL 40 2HG2 VAL 40 9.982 2.611 0.241 260 3HG2 VAL 40 3HG2 VAL 40 10.921 2.852 -1.252 261 H ASP 41 H ASP 41 11.586 7.437 0.819 262 HA ASP 41 HA ASP 41 14.442 7.196 1.105 263 1HB ASP 41 1HB ASP 41 13.945 8.384 -0.838 264 2HB ASP 41 2HB ASP 41 12.532 9.176 -0.127 265 HD2 ASP 41 HD2 ASP 41 14.391 11.986 0.357 266 H THR 42 H THR 42 15.512 9.313 2.162 267 HA THR 42 HA THR 42 15.186 9.420 4.787 268 HB THR 42 HB THR 42 15.781 11.662 2.798 269 HG1 THR 42 1HG THR 42 17.305 9.918 2.911 270 1HG2 THR 42 1HG2 THR 42 15.283 12.868 4.836 271 2HG2 THR 42 2HG2 THR 42 16.010 11.594 5.844 272 3HG2 THR 42 3HG2 THR 42 17.048 12.634 4.838 273 H GLY 43 H GLY 43 13.193 9.137 5.718 274 1HA GLY 43 1HA GLY 43 11.063 9.618 6.308 275 2HA GLY 43 2HA GLY 43 11.717 11.225 6.553 276 H VAL 44 H VAL 44 11.703 9.793 3.303 277 HA VAL 44 HA VAL 44 9.696 11.789 2.547 278 HB VAL 44 HB VAL 44 12.020 10.484 1.187 279 1HG1 VAL 44 1HG1 VAL 44 10.775 10.108 -0.652 280 2HG1 VAL 44 2HG1 VAL 44 9.432 11.121 -0.070 281 3HG1 VAL 44 3HG1 VAL 44 10.837 11.874 -0.863 282 1HG2 VAL 44 1HG2 VAL 44 11.116 13.223 1.898 283 2HG2 VAL 44 2HG2 VAL 44 12.754 12.526 1.853 284 3HG2 VAL 44 3HG2 VAL 44 11.968 13.050 0.344 285 H LEU 45 H LEU 45 7.655 11.062 2.302 286 HA LEU 45 HA LEU 45 7.045 8.325 2.309 287 1HB LEU 45 1HB LEU 45 5.398 9.628 3.169 288 2HB LEU 45 2HB LEU 45 5.554 10.878 1.922 289 HG LEU 45 HG LEU 45 4.560 9.109 0.329 290 1HD1 LEU 45 1HD1 LEU 45 3.013 7.508 1.519 291 2HD1 LEU 45 2HD1 LEU 45 4.747 7.123 1.612 292 3HD1 LEU 45 3HD1 LEU 45 3.923 7.859 3.007 293 1HD2 LEU 45 1HD2 LEU 45 2.991 10.504 2.500 294 2HD2 LEU 45 2HD2 LEU 45 3.297 11.038 0.830 295 3HD2 LEU 45 3HD2 LEU 45 2.218 9.656 1.140 296 H ALA 46 H ALA 46 7.738 6.978 0.717 297 HA ALA 46 HA ALA 46 7.277 7.893 -2.039 298 1HB ALA 46 1HB ALA 46 9.650 6.951 -0.726 299 2HB ALA 46 2HB ALA 46 9.158 5.738 -1.933 300 3HB ALA 46 3HB ALA 46 9.437 7.427 -2.427 301 H CYS 47 H CYS 47 6.136 6.527 -3.417 302 HA CYS 47 HA CYS 47 4.921 4.242 -2.065 303 1HB CYS 47 1HB CYS 47 4.016 5.572 -4.615 304 2HB CYS 47 2HB CYS 47 3.129 4.398 -3.639 305 H ASN 48 H ASN 48 4.698 2.207 -3.347 306 HA ASN 48 HA ASN 48 7.105 1.717 -4.770 307 1HB ASN 48 1HB ASN 48 4.776 -0.220 -4.634 308 2HB ASN 48 2HB ASN 48 6.508 -0.584 -4.607 309 1HD2 ASN 48 1HD2 ASN 48 7.007 1.650 -2.730 310 2HD2 ASN 48 2HD2 ASN 48 6.516 1.101 -1.160 311 HA PRO 49 HA PRO 49 5.377 1.827 -8.804 312 1HB PRO 49 1HB PRO 49 6.463 -0.316 -10.100 313 2HB PRO 49 2HB PRO 49 7.340 1.186 -9.821 314 1HG PRO 49 1HG PRO 49 7.553 -1.417 -8.449 315 2HG PRO 49 2HG PRO 49 8.748 -0.069 -8.495 316 1HD PRO 49 1HD PRO 49 7.005 -0.830 -6.354 317 2HD PRO 49 2HD PRO 49 8.047 0.597 -6.410 318 H ALA 50 H ALA 50 4.599 -0.740 -6.804 319 HA ALA 50 HA ALA 50 2.519 -1.599 -8.686 320 1HB ALA 50 1HB ALA 50 4.216 -2.934 -6.666 321 2HB ALA 50 2HB ALA 50 2.497 -3.388 -6.589 322 3HB ALA 50 3HB ALA 50 3.408 -3.604 -8.104 323 H ASP 51 H ASP 51 2.800 0.848 -6.710 324 HA ASP 51 HA ASP 51 0.676 0.263 -4.888 325 1HB ASP 51 1HB ASP 51 2.258 1.707 -3.943 326 2HB ASP 51 2HB ASP 51 2.499 2.604 -5.451 327 HD2 ASP 51 HD2 ASP 51 -0.208 3.826 -2.864 328 H PHE 52 H PHE 52 0.635 0.603 -8.094 329 HA PHE 52 HA PHE 52 -1.518 2.590 -8.170 330 1HB PHE 52 1HB PHE 52 -0.034 1.259 -10.490 331 2HB PHE 52 2HB PHE 52 -0.890 2.804 -10.521 332 HD1 PHE 52 1HD PHE 52 2.218 1.516 -10.794 333 HD2 PHE 52 2HD PHE 52 0.153 4.387 -8.447 334 HE1 PHE 52 1HE PHE 52 4.381 2.706 -10.348 335 HE2 PHE 52 2HE PHE 52 2.318 5.578 -8.002 336 HZ PHE 52 HZ PHE 52 4.405 4.723 -8.957 337 H SER 53 H SER 53 -3.263 1.267 -7.470 338 HA SER 53 HA SER 53 -4.170 -0.506 -9.535 339 1HB SER 53 1HB SER 53 -2.966 -1.509 -7.128 340 2HB SER 53 2HB SER 53 -4.697 -1.891 -7.075 341 HG SER 53 HG SER 53 -2.681 -2.732 -8.926 342 H SER 54 H SER 54 -5.819 1.111 -9.835 343 HA SER 54 HA SER 54 -7.217 2.486 -8.105 344 1HB SER 54 1HB SER 54 -9.045 2.518 -9.655 345 2HB SER 54 2HB SER 54 -7.573 2.313 -10.619 346 HG SER 54 HG SER 54 -9.224 0.862 -11.330 347 H VAL 55 H VAL 55 -9.268 2.230 -6.897 348 HA VAL 55 HA VAL 55 -10.237 -0.442 -6.474 349 HB VAL 55 HB VAL 55 -8.315 -0.471 -5.023 350 1HG1 VAL 55 1HG1 VAL 55 -7.821 1.830 -4.673 351 2HG1 VAL 55 2HG1 VAL 55 -9.416 2.137 -3.948 352 3HG1 VAL 55 3HG1 VAL 55 -8.217 1.157 -3.072 353 1HG2 VAL 55 1HG2 VAL 55 -10.423 -1.539 -4.258 354 2HG2 VAL 55 2HG2 VAL 55 -9.391 -0.998 -2.912 355 3HG2 VAL 55 3HG2 VAL 55 -10.825 -0.050 -3.368 356 H THR 56 H THR 56 -12.197 -0.404 -5.032 357 HA THR 56 HA THR 56 -13.306 2.217 -4.512 358 HB THR 56 HB THR 56 -14.297 0.338 -6.700 359 HG1 THR 56 1HG THR 56 -13.823 2.213 -7.845 360 1HG2 THR 56 1HG2 THR 56 -15.817 2.692 -5.464 361 2HG2 THR 56 2HG2 THR 56 -16.357 1.665 -6.814 362 3HG2 THR 56 3HG2 THR 56 -16.238 0.987 -5.172 363 H ALA 57 H ALA 57 -14.664 2.219 -2.786 364 HA ALA 57 HA ALA 57 -15.180 -0.430 -1.637 365 1HB ALA 57 1HB ALA 57 -13.855 1.653 -0.532 366 2HB ALA 57 2HB ALA 57 -15.513 2.065 -0.034 367 3HB ALA 57 3HB ALA 57 -14.811 0.496 0.425 368 H ASP 58 H ASP 58 -17.253 -1.162 -1.495 369 HA ASP 58 HA ASP 58 -19.269 -0.041 -2.864 370 1HB ASP 58 1HB ASP 58 -19.864 -1.467 -0.266 371 2HB ASP 58 2HB ASP 58 -20.687 -1.631 -1.826 372 HD2 ASP 58 HD2 ASP 58 -17.450 -3.476 -2.568 373 H ALA 59 H ALA 59 -21.395 0.939 -1.981 374 HA ALA 59 HA ALA 59 -21.091 3.330 -0.825 375 1HB ALA 59 1HB ALA 59 -23.536 2.037 0.130 376 2HB ALA 59 2HB ALA 59 -23.334 3.362 -1.041 377 3HB ALA 59 3HB ALA 59 -23.212 1.670 -1.581 378 H ASN 60 H ASN 60 -21.074 0.167 0.798 379 HA ASN 60 HA ASN 60 -21.209 1.420 3.372 380 1HB ASN 60 1HB ASN 60 -21.963 -1.053 2.441 381 2HB ASN 60 2HB ASN 60 -20.389 -1.453 3.147 382 1HD2 ASN 60 1HD2 ASN 60 -22.662 -2.540 4.149 383 2HD2 ASN 60 2HD2 ASN 60 -23.029 -1.902 5.717 384 H GLY 61 H GLY 61 -18.984 2.225 1.657 385 1HA GLY 61 1HA GLY 61 -16.727 2.295 1.524 386 2HA GLY 61 2HA GLY 61 -16.833 2.267 3.274 387 H SER 62 H SER 62 -17.700 -0.358 0.937 388 HA SER 62 HA SER 62 -15.751 -2.003 2.337 389 1HB SER 62 1HB SER 62 -17.908 -3.055 0.497 390 2HB SER 62 2HB SER 62 -17.091 -3.892 1.829 391 HG SER 62 HG SER 62 -19.441 -2.837 1.990 392 H ALA 63 H ALA 63 -13.834 -1.564 1.176 393 HA ALA 63 HA ALA 63 -13.978 -1.990 -1.724 394 1HB ALA 63 1HB ALA 63 -12.659 -0.052 -0.016 395 2HB ALA 63 2HB ALA 63 -11.454 -0.943 -0.977 396 3HB ALA 63 3HB ALA 63 -12.785 -0.086 -1.792 397 H SER 64 H SER 64 -13.950 -4.289 -1.699 398 HA SER 64 HA SER 64 -11.669 -5.469 -0.356 399 1HB SER 64 1HB SER 64 -12.798 -7.616 -0.751 400 2HB SER 64 2HB SER 64 -13.896 -6.478 0.046 401 HG SER 64 HG SER 64 -14.167 -6.181 -2.637 402 H THR 65 H THR 65 -10.052 -4.674 -1.889 403 HA THR 65 HA THR 65 -10.257 -5.928 -4.547 404 HB THR 65 HB THR 65 -10.201 -3.469 -4.637 405 HG1 THR 65 1HG THR 65 -8.860 -4.626 -6.173 406 1HG2 THR 65 1HG2 THR 65 -8.132 -2.283 -3.785 407 2HG2 THR 65 2HG2 THR 65 -9.146 -2.920 -2.470 408 3HG2 THR 65 3HG2 THR 65 -7.663 -3.782 -2.947 409 H SER 66 H SER 66 -8.653 -7.256 -5.303 410 HA SER 66 HA SER 66 -6.785 -8.071 -3.244 411 1HB SER 66 1HB SER 66 -6.583 -10.140 -4.426 412 2HB SER 66 2HB SER 66 -8.311 -9.745 -4.414 413 HG SER 66 HG SER 66 -8.031 -8.896 -6.597 414 H LEU 67 H LEU 67 -4.524 -7.985 -3.544 415 HA LEU 67 HA LEU 67 -3.508 -7.228 -6.142 416 1HB LEU 67 1HB LEU 67 -4.036 -5.291 -4.127 417 2HB LEU 67 2HB LEU 67 -2.279 -5.440 -4.317 418 HG LEU 67 HG LEU 67 -3.168 -3.662 -5.712 419 1HD1 LEU 67 1HD1 LEU 67 -2.226 -6.071 -7.287 420 2HD1 LEU 67 2HD1 LEU 67 -2.297 -4.409 -7.919 421 3HD1 LEU 67 3HD1 LEU 67 -1.221 -4.798 -6.554 422 1HD2 LEU 67 1HD2 LEU 67 -4.718 -5.627 -7.373 423 2HD2 LEU 67 2HD2 LEU 67 -5.453 -4.884 -5.933 424 3HD2 LEU 67 3HD2 LEU 67 -4.871 -3.857 -7.265 425 H THR 68 H THR 68 -0.933 -6.919 -5.806 426 HA THR 68 HA THR 68 -0.144 -9.240 -4.179 427 HB THR 68 HB THR 68 1.156 -7.939 -6.631 428 HG1 THR 68 1HG THR 68 -0.475 -9.164 -7.506 429 1HG2 THR 68 1HG2 THR 68 2.635 -9.336 -4.975 430 2HG2 THR 68 2HG2 THR 68 1.646 -10.724 -5.490 431 3HG2 THR 68 3HG2 THR 68 2.622 -9.835 -6.683 432 H VAL 69 H VAL 69 1.430 -9.107 -2.634 433 HA VAL 69 HA VAL 69 2.161 -6.384 -1.909 434 HB VAL 69 HB VAL 69 2.496 -9.003 -0.430 435 1HG1 VAL 69 1HG1 VAL 69 3.551 -6.380 0.053 436 2HG1 VAL 69 2HG1 VAL 69 2.349 -6.755 1.311 437 3HG1 VAL 69 3HG1 VAL 69 3.721 -7.854 1.034 438 1HG2 VAL 69 1HG2 VAL 69 0.393 -8.847 0.346 439 2HG2 VAL 69 2HG2 VAL 69 0.508 -7.086 0.576 440 3HG2 VAL 69 3HG2 VAL 69 0.111 -7.751 -1.027 441 H ARG 70 H ARG 70 3.736 -5.930 -3.535 442 HA ARG 70 HA ARG 70 5.940 -7.745 -3.728 443 1HB ARG 70 1HB ARG 70 5.274 -5.094 -5.069 444 2HB ARG 70 2HB ARG 70 6.788 -5.959 -5.385 445 1HG ARG 70 1HG ARG 70 4.375 -7.653 -5.583 446 2HG ARG 70 2HG ARG 70 4.395 -6.324 -6.756 447 1HD ARG 70 1HD ARG 70 6.970 -7.221 -6.969 448 2HD ARG 70 2HD ARG 70 6.152 -8.734 -6.550 449 HE ARG 70 HE ARG 70 4.530 -7.739 -8.513 450 1HH1 ARG 70 1HH1 ARG 70 8.020 -8.145 -8.351 451 2HH1 ARG 70 2HH1 ARG 70 8.202 -8.366 -10.059 452 1HH2 ARG 70 1HH2 ARG 70 4.769 -8.032 -10.769 453 2HH2 ARG 70 2HH2 ARG 70 6.339 -8.302 -11.442 454 H ARG 71 H ARG 71 6.326 -7.313 -1.264 455 HA ARG 71 HA ARG 71 7.007 -5.031 -0.140 456 1HB ARG 71 1HB ARG 71 7.139 -7.446 0.775 457 2HB ARG 71 2HB ARG 71 8.807 -7.475 0.173 458 1HG ARG 71 1HG ARG 71 8.601 -5.045 1.569 459 2HG ARG 71 2HG ARG 71 7.700 -6.193 2.572 460 1HD ARG 71 1HD ARG 71 10.607 -6.230 1.748 461 2HD ARG 71 2HD ARG 71 9.917 -6.421 3.365 462 HE ARG 71 HE ARG 71 9.003 -8.575 1.732 463 1HH1 ARG 71 1HH1 ARG 71 11.988 -7.396 3.174 464 2HH1 ARG 71 2HH1 ARG 71 12.705 -8.969 3.286 465 1HH2 ARG 71 1HH2 ARG 71 9.949 -10.651 1.879 466 2HH2 ARG 71 2HH2 ARG 71 11.537 -10.833 2.544 467 H SER 72 H SER 72 8.861 -6.787 -2.621 468 HA SER 72 HA SER 72 11.020 -4.867 -2.323 469 1HB SER 72 1HB SER 72 12.229 -6.756 -2.566 470 2HB SER 72 2HB SER 72 10.837 -7.678 -3.162 471 HG SER 72 HG SER 72 12.924 -6.944 -4.575 472 H PHE 73 H PHE 73 11.296 -3.239 -3.831 473 HA PHE 73 HA PHE 73 10.805 -3.431 -6.517 474 1HB PHE 73 1HB PHE 73 8.421 -3.246 -4.899 475 2HB PHE 73 2HB PHE 73 8.616 -1.671 -5.675 476 HD1 PHE 73 1HD PHE 73 6.407 -3.786 -6.088 477 HD2 PHE 73 2HD PHE 73 9.979 -2.901 -8.200 478 HE1 PHE 73 1HE PHE 73 5.393 -4.710 -8.189 479 HE2 PHE 73 2HE PHE 73 8.965 -3.826 -10.303 480 HZ PHE 73 HZ PHE 73 6.684 -4.719 -10.272 481 H GLU 74 H GLU 74 10.703 -1.179 -7.591 482 HA GLU 74 HA GLU 74 12.490 0.480 -6.105 483 1HB GLU 74 1HB GLU 74 12.937 0.092 -8.456 484 2HB GLU 74 2HB GLU 74 11.336 0.695 -8.917 485 1HG GLU 74 1HG GLU 74 12.233 2.755 -9.100 486 2HG GLU 74 2HG GLU 74 12.525 2.752 -7.353 487 HE2 GLU 74 HE2 GLU 74 15.912 2.152 -7.782 488 H GLY 75 H GLY 75 11.649 1.834 -4.571 489 1HA GLY 75 1HA GLY 75 8.955 2.740 -4.630 490 2HA GLY 75 2HA GLY 75 10.227 3.245 -3.536 491 H PHE 76 H PHE 76 8.460 5.173 -4.384 492 HA PHE 76 HA PHE 76 10.205 6.808 -6.049 493 1HB PHE 76 1HB PHE 76 8.687 6.380 -7.759 494 2HB PHE 76 2HB PHE 76 7.487 5.722 -6.641 495 HD1 PHE 76 1HD PHE 76 8.538 8.590 -8.556 496 HD2 PHE 76 2HD PHE 76 5.977 7.309 -5.424 497 HE1 PHE 76 1HE PHE 76 7.177 10.685 -8.809 498 HE2 PHE 76 2HE PHE 76 4.618 9.403 -5.677 499 HZ PHE 76 HZ PHE 76 5.235 11.068 -7.366 500 H LEU 77 H LEU 77 10.540 8.740 -5.060 501 HA LEU 77 HA LEU 77 9.281 9.394 -2.668 502 1HB LEU 77 1HB LEU 77 10.665 11.301 -4.537 503 2HB LEU 77 2HB LEU 77 10.500 11.429 -2.776 504 HG LEU 77 HG LEU 77 11.827 9.057 -3.020 505 1HD1 LEU 77 1HD1 LEU 77 13.755 9.984 -4.681 506 2HD1 LEU 77 2HD1 LEU 77 12.470 8.852 -5.169 507 3HD1 LEU 77 3HD1 LEU 77 12.300 10.592 -5.502 508 1HD2 LEU 77 1HD2 LEU 77 12.509 10.663 -1.442 509 2HD2 LEU 77 2HD2 LEU 77 13.904 10.449 -2.527 510 3HD2 LEU 77 3HD2 LEU 77 12.856 11.877 -2.697 511 H PHE 78 H PHE 78 7.734 11.038 -2.130 512 HA PHE 78 HA PHE 78 5.549 11.095 -3.882 513 1HB PHE 78 1HB PHE 78 4.682 12.675 -2.127 514 2HB PHE 78 2HB PHE 78 5.468 11.282 -1.377 515 HD1 PHE 78 1HD PHE 78 5.915 14.847 -2.264 516 HD2 PHE 78 2HD PHE 78 7.337 11.578 0.038 517 HE1 PHE 78 1HE PHE 78 7.402 16.404 -0.972 518 HE2 PHE 78 2HE PHE 78 8.824 13.136 1.329 519 HZ PHE 78 HZ PHE 78 8.839 15.530 0.808 520 H ASP 79 H ASP 79 8.292 13.305 -3.313 521 HA ASP 79 HA ASP 79 7.376 15.632 -4.234 522 1HB ASP 79 1HB ASP 79 9.737 15.004 -3.507 523 2HB ASP 79 2HB ASP 79 10.015 14.403 -5.150 524 HD2 ASP 79 HD2 ASP 79 11.187 17.546 -5.826 525 H GLY 80 H GLY 80 8.529 12.786 -6.168 526 1HA GLY 80 1HA GLY 80 6.888 12.623 -8.188 527 2HA GLY 80 2HA GLY 80 7.704 14.102 -8.658 528 H THR 81 H THR 81 10.177 12.842 -7.064 529 HA THR 81 HA THR 81 11.237 11.535 -9.443 530 HB THR 81 HB THR 81 12.432 12.691 -6.877 531 HG1 THR 81 1HG THR 81 12.300 14.366 -8.324 532 1HG2 THR 81 1HG2 THR 81 14.643 12.294 -7.929 533 2HG2 THR 81 2HG2 THR 81 13.820 10.739 -7.662 534 3HG2 THR 81 3HG2 THR 81 13.859 11.456 -9.290 535 H ARG 82 H ARG 82 12.394 9.511 -9.349 536 HA ARG 82 HA ARG 82 11.024 7.740 -7.549 537 1HB ARG 82 1HB ARG 82 12.015 5.944 -8.956 538 2HB ARG 82 2HB ARG 82 11.181 7.145 -9.957 539 1HG ARG 82 1HG ARG 82 13.794 8.131 -9.738 540 2HG ARG 82 2HG ARG 82 14.022 6.381 -9.903 541 1HD ARG 82 1HD ARG 82 13.898 6.913 -12.139 542 2HD ARG 82 2HD ARG 82 12.160 6.761 -11.842 543 HE ARG 82 HE ARG 82 11.950 9.094 -12.058 544 1HH1 ARG 82 1HH1 ARG 82 15.349 8.231 -11.782 545 2HH1 ARG 82 2HH1 ARG 82 15.917 9.817 -12.183 546 1HH2 ARG 82 1HH2 ARG 82 12.697 11.187 -12.589 547 2HH2 ARG 82 2HH2 ARG 82 14.398 11.510 -12.646 548 H TRP 83 H TRP 83 12.081 6.410 -5.982 549 HA TRP 83 HA TRP 83 14.839 7.237 -5.409 550 1HB TRP 83 1HB TRP 83 13.325 7.800 -3.652 551 2HB TRP 83 2HB TRP 83 12.647 6.170 -3.626 552 HD1 TRP 83 HD TRP 83 14.171 4.256 -2.407 553 HE1 TRP 83 1HE TRP 83 16.160 4.307 -0.673 554 HE3 TRP 83 3HE TRP 83 15.315 9.167 -3.067 555 HZ2 TRP 83 2HZ TRP 83 17.949 6.349 0.207 556 HZ3 TRP 83 3HZ TRP 83 17.196 10.110 -1.732 557 HH2 TRP 83 HH TRP 83 18.495 8.786 -0.140 558 H GLY 84 H GLY 84 13.169 4.356 -4.123 559 1HA GLY 84 1HA GLY 84 13.680 2.350 -5.807 560 2HA GLY 84 2HA GLY 84 15.288 2.673 -5.188 561 H THR 85 H THR 85 15.898 1.726 -3.278 562 HA THR 85 HA THR 85 15.657 0.965 -1.151 563 HB THR 85 HB THR 85 12.630 0.940 -1.588 564 HG1 THR 85 1HG THR 85 12.873 3.136 -1.471 565 1HG2 THR 85 1HG2 THR 85 12.604 0.309 0.607 566 2HG2 THR 85 2HG2 THR 85 14.384 0.317 0.647 567 3HG2 THR 85 3HG2 THR 85 13.479 1.807 1.014 568 H VAL 86 H VAL 86 13.243 -0.444 -3.460 569 HA VAL 86 HA VAL 86 13.011 -2.510 -4.216 570 HB VAL 86 HB VAL 86 15.770 -2.974 -3.065 571 1HG1 VAL 86 1HG1 VAL 86 15.868 -4.794 -4.795 572 2HG1 VAL 86 2HG1 VAL 86 14.717 -5.095 -3.471 573 3HG1 VAL 86 3HG1 VAL 86 14.125 -4.559 -5.062 574 1HG2 VAL 86 1HG2 VAL 86 16.660 -2.397 -5.202 575 2HG2 VAL 86 2HG2 VAL 86 15.037 -2.315 -5.931 576 3HG2 VAL 86 3HG2 VAL 86 15.543 -1.090 -4.740 577 H ASP 87 H ASP 87 15.000 -4.112 -1.845 578 HA ASP 87 HA ASP 87 12.833 -5.491 -0.825 579 1HB ASP 87 1HB ASP 87 15.054 -5.382 1.055 580 2HB ASP 87 2HB ASP 87 14.490 -6.751 0.087 581 HD2 ASP 87 HD2 ASP 87 17.107 -6.443 -2.100 582 H CYS 88 H CYS 88 11.230 -4.076 0.085 583 HA CYS 88 HA CYS 88 11.937 -1.958 1.811 584 1HB CYS 88 1HB CYS 88 9.948 -1.726 0.596 585 2HB CYS 88 2HB CYS 88 9.334 -3.300 1.110 586 H THR 89 H THR 89 13.438 -3.742 2.983 587 HA THR 89 HA THR 89 11.877 -5.144 5.027 588 HB THR 89 HB THR 89 13.635 -6.324 3.584 589 HG1 THR 89 1HG THR 89 12.999 -7.029 5.759 590 1HG2 THR 89 1HG2 THR 89 15.482 -4.586 5.306 591 2HG2 THR 89 2HG2 THR 89 16.007 -6.007 4.369 592 3HG2 THR 89 3HG2 THR 89 15.390 -4.565 3.528 593 H THR 90 H THR 90 13.767 -2.277 4.492 594 HA THR 90 HA THR 90 14.412 -2.013 7.315 595 HB THR 90 HB THR 90 14.953 -0.355 4.801 596 HG1 THR 90 1HG THR 90 16.597 -1.835 4.867 597 1HG2 THR 90 1HG2 THR 90 16.182 0.028 7.569 598 2HG2 THR 90 2HG2 THR 90 16.366 1.070 6.139 599 3HG2 THR 90 3HG2 THR 90 14.813 1.016 7.005 600 H ALA 91 H ALA 91 12.461 -0.239 4.824 601 HA ALA 91 HA ALA 91 11.166 1.205 6.987 602 1HB ALA 91 1HB ALA 91 12.021 2.179 4.733 603 2HB ALA 91 2HB ALA 91 10.563 1.437 4.029 604 3HB ALA 91 3HB ALA 91 10.409 2.670 5.304 605 H ALA 92 H ALA 92 8.787 1.265 7.151 606 HA ALA 92 HA ALA 92 7.712 -1.391 6.687 607 1HB ALA 92 1HB ALA 92 5.898 -0.574 8.181 608 2HB ALA 92 2HB ALA 92 7.507 -0.395 8.916 609 3HB ALA 92 3HB ALA 92 6.681 1.023 8.230 610 H CYS 93 H CYS 93 6.521 -1.850 4.911 611 HA CYS 93 HA CYS 93 5.596 0.371 3.312 612 1HB CYS 93 1HB CYS 93 4.896 -2.229 2.285 613 2HB CYS 93 2HB CYS 93 5.902 -0.963 1.573 614 H GLN 94 H GLN 94 3.510 1.122 3.497 615 HA GLN 94 HA GLN 94 1.649 -0.604 4.911 616 1HB GLN 94 1HB GLN 94 1.680 2.395 4.417 617 2HB GLN 94 2HB GLN 94 0.324 1.552 5.186 618 1HG GLN 94 1HG GLN 94 1.509 1.153 7.129 619 2HG GLN 94 2HG GLN 94 3.066 1.035 6.295 620 1HE2 GLN 94 1HE2 GLN 94 4.410 2.650 6.514 621 2HE2 GLN 94 2HE2 GLN 94 4.031 4.273 6.984 622 H VAL 95 H VAL 95 0.045 -1.616 3.782 623 HA VAL 95 HA VAL 95 -0.323 -0.849 1.009 624 HB VAL 95 HB VAL 95 -1.526 -3.139 2.568 625 1HG1 VAL 95 1HG1 VAL 95 -1.418 -4.091 0.106 626 2HG1 VAL 95 2HG1 VAL 95 -2.764 -3.051 0.626 627 3HG1 VAL 95 3HG1 VAL 95 -1.426 -2.365 -0.329 628 1HG2 VAL 95 1HG2 VAL 95 1.181 -2.791 1.353 629 2HG2 VAL 95 2HG2 VAL 95 0.682 -3.704 2.796 630 3HG2 VAL 95 3HG2 VAL 95 0.382 -4.370 1.172 631 H GLY 96 H GLY 96 -1.793 0.684 0.507 632 1HA GLY 96 1HA GLY 96 -4.470 0.507 1.512 633 2HA GLY 96 2HA GLY 96 -3.590 1.854 2.205 634 H LEU 97 H LEU 97 -5.709 2.615 0.754 635 HA LEU 97 HA LEU 97 -4.653 3.248 -1.909 636 1HB LEU 97 1HB LEU 97 -7.110 3.836 -2.315 637 2HB LEU 97 2HB LEU 97 -6.623 2.132 -2.272 638 HG LEU 97 HG LEU 97 -7.473 3.116 0.341 639 1HD1 LEU 97 1HD1 LEU 97 -9.510 3.214 -1.903 640 2HD1 LEU 97 2HD1 LEU 97 -9.853 3.363 -0.162 641 3HD1 LEU 97 3HD1 LEU 97 -8.885 4.607 -0.989 642 1HD2 LEU 97 1HD2 LEU 97 -9.161 1.063 -0.645 643 2HD2 LEU 97 2HD2 LEU 97 -7.512 0.719 -1.222 644 3HD2 LEU 97 3HD2 LEU 97 -7.819 0.936 0.518 645 H SER 98 H SER 98 -4.350 5.370 -2.525 646 HA SER 98 HA SER 98 -4.554 7.255 -0.349 647 1HB SER 98 1HB SER 98 -3.083 8.664 -1.668 648 2HB SER 98 2HB SER 98 -2.422 7.019 -1.650 649 HG SER 98 HG SER 98 -3.497 6.731 -3.776 650 H ASP 99 H ASP 99 -5.586 9.376 -0.639 651 HA ASP 99 HA ASP 99 -7.897 9.135 -2.311 652 1HB ASP 99 1HB ASP 99 -7.403 11.700 -0.907 653 2HB ASP 99 2HB ASP 99 -8.843 10.671 -0.887 654 HD2 ASP 99 HD2 ASP 99 -6.014 9.907 1.817 655 H ALA 100 H ALA 100 -8.537 11.022 -3.772 656 HA ALA 100 HA ALA 100 -6.184 11.994 -5.172 657 1HB ALA 100 1HB ALA 100 -8.306 12.854 -6.630 658 2HB ALA 100 2HB ALA 100 -7.613 11.221 -6.781 659 3HB ALA 100 3HB ALA 100 -9.058 11.484 -5.776 660 H ALA 101 H ALA 101 -7.358 12.975 -2.429 661 HA ALA 101 HA ALA 101 -7.775 15.769 -3.219 662 1HB ALA 101 1HB ALA 101 -8.593 15.927 -0.796 663 2HB ALA 101 2HB ALA 101 -9.598 14.969 -1.909 664 3HB ALA 101 3HB ALA 101 -8.514 14.150 -0.761 665 H GLY 102 H GLY 102 -5.485 13.507 -1.976 666 1HA GLY 102 1HA GLY 102 -3.265 13.987 -1.588 667 2HA GLY 102 2HA GLY 102 -3.644 15.688 -1.386 668 H ASN 103 H ASN 103 -5.091 12.764 0.205 669 HA ASN 103 HA ASN 103 -4.242 13.954 2.729 670 1HB ASN 103 1HB ASN 103 -6.646 12.148 2.160 671 2HB ASN 103 2HB ASN 103 -6.235 12.826 3.744 672 1HD2 ASN 103 1HD2 ASN 103 -8.650 13.362 3.008 673 2HD2 ASN 103 2HD2 ASN 103 -8.871 14.972 2.409 674 H GLY 104 H GLY 104 -4.018 12.165 4.528 675 1HA GLY 104 1HA GLY 104 -2.689 9.821 3.328 676 2HA GLY 104 2HA GLY 104 -2.323 10.536 4.887 677 HA PRO 105 HA PRO 105 -6.229 7.807 5.116 678 1HB PRO 105 1HB PRO 105 -6.161 5.603 3.504 679 2HB PRO 105 2HB PRO 105 -7.064 7.062 3.104 680 1HG PRO 105 1HG PRO 105 -4.490 6.079 2.053 681 2HG PRO 105 2HG PRO 105 -5.617 7.275 1.321 682 1HD PRO 105 1HD PRO 105 -3.128 7.758 2.648 683 2HD PRO 105 2HD PRO 105 -4.276 8.979 2.086 684 H GLU 106 H GLU 106 -6.567 5.284 5.731 685 HA GLU 106 HA GLU 106 -4.302 4.894 7.463 686 1HB GLU 106 1HB GLU 106 -7.152 4.255 7.498 687 2HB GLU 106 2HB GLU 106 -6.171 2.852 7.959 688 1HG GLU 106 1HG GLU 106 -5.756 3.761 9.978 689 2HG GLU 106 2HG GLU 106 -5.122 5.239 9.237 690 HE2 GLU 106 HE2 GLU 106 -8.914 5.153 10.457 691 H GLY 107 H GLY 107 -2.611 3.670 6.751 692 1HA GLY 107 1HA GLY 107 -3.159 1.591 4.742 693 2HA GLY 107 2HA GLY 107 -1.616 2.359 5.063 694 H VAL 108 H VAL 108 -2.204 -0.532 4.991 695 HA VAL 108 HA VAL 108 -1.899 -1.246 7.812 696 HB VAL 108 HB VAL 108 -3.664 -2.282 6.316 697 1HG1 VAL 108 1HG1 VAL 108 -3.157 -3.644 4.558 698 2HG1 VAL 108 2HG1 VAL 108 -1.748 -2.559 4.464 699 3HG1 VAL 108 3HG1 VAL 108 -1.596 -4.149 5.251 700 1HG2 VAL 108 1HG2 VAL 108 -3.279 -3.368 8.356 701 2HG2 VAL 108 2HG2 VAL 108 -3.076 -4.657 7.145 702 3HG2 VAL 108 3HG2 VAL 108 -1.645 -3.892 7.879 703 H ALA 109 H ALA 109 0.223 -0.993 8.395 704 HA ALA 109 HA ALA 109 2.373 -1.218 6.649 705 1HB ALA 109 1HB ALA 109 1.873 -0.666 9.409 706 2HB ALA 109 2HB ALA 109 3.142 -1.913 9.331 707 3HB ALA 109 3HB ALA 109 3.359 -0.367 8.476 708 H ILE 110 H ILE 110 2.054 -3.122 5.356 709 HA ILE 110 HA ILE 110 1.944 -5.664 6.695 710 HB ILE 110 HB ILE 110 0.940 -4.801 4.386 711 1HG1 ILE 110 1HG1 ILE 110 1.811 -7.555 5.221 712 2HG1 ILE 110 2HG1 ILE 110 0.194 -6.832 5.278 713 1HG2 ILE 110 1HG2 ILE 110 3.530 -4.726 3.661 714 2HG2 ILE 110 2HG2 ILE 110 3.139 -6.403 3.208 715 3HG2 ILE 110 3HG2 ILE 110 2.198 -5.055 2.527 716 1HD1 ILE 110 1HD1 ILE 110 0.804 -6.678 2.580 717 2HD1 ILE 110 2HD1 ILE 110 1.595 -8.199 3.055 718 3HD1 ILE 110 3HD1 ILE 110 -0.150 -7.978 3.333 719 H SER 111 H SER 111 3.574 -7.365 6.411 720 HA SER 111 HA SER 111 5.910 -7.310 5.261 721 1HB SER 111 1HB SER 111 5.920 -5.271 7.411 722 2HB SER 111 2HB SER 111 7.309 -6.369 7.441 723 HG SER 111 HG SER 111 6.685 -4.305 5.677 724 H PHE 112 H PHE 112 5.080 -7.257 8.814 725 HA PHE 112 HA PHE 112 5.466 -10.146 8.840 726 1HB PHE 112 1HB PHE 112 7.113 -9.994 10.543 727 2HB PHE 112 2HB PHE 112 7.522 -8.577 9.566 728 HD1 PHE 112 1HD PHE 112 5.488 -9.598 12.518 729 HD2 PHE 112 2HD PHE 112 7.655 -6.500 10.592 730 HE1 PHE 112 1HE PHE 112 5.204 -8.139 14.542 731 HE2 PHE 112 2HE PHE 112 7.373 -5.042 12.615 732 HZ PHE 112 HZ PHE 112 6.150 -5.878 14.565 733 H ASN 113 H ASN 113 4.328 -11.231 10.554 734 HA ASN 113 HA ASN 113 1.945 -9.959 11.231 735 1HB ASN 113 1HB ASN 113 1.666 -12.018 12.748 736 2HB ASN 113 2HB ASN 113 1.949 -12.369 11.037 737 1HD2 ASN 113 1HD2 ASN 113 3.063 -12.636 14.264 738 2HD2 ASN 113 2HD2 ASN 113 4.522 -13.526 13.982 739 6H NCZ 130 6H NCZ 130 -0.576 13.259 -1.775 740 6H1 NCZ 130 6H1 NCZ 130 -1.064 10.392 -1.947 741 5H1 NCZ 130 5H1 NCZ 130 -2.857 11.734 -0.540 742 4H1 NCZ 130 4H1 NCZ 130 -1.480 12.387 1.757 743 5H NCZ 130 5H NCZ 130 1.958 12.751 0.639 744 3H1 NCZ 130 3H1 NCZ 130 0.601 11.122 1.613 745 2H1 NCZ 130 2H1 NCZ 130 1.219 11.194 -1.302 746 2H NCZ 130 2H NCZ 130 -0.373 7.847 -3.966 747 8H NCZ 130 8H NCZ 130 -1.058 4.761 -3.401 748 7H NCZ 130 7H NCZ 130 -1.558 3.730 -1.211 749 3H NCZ 130 3H NCZ 130 -0.544 4.820 3.250 750 1H17 NCZ 130 1H17 NCZ 130 1.462 8.565 4.698 751 2H17 NCZ 130 2H17 NCZ 130 1.974 8.680 2.997 752 3H17 NCZ 130 3H17 NCZ 130 0.291 9.043 3.447 753 1H18 NCZ 130 1H18 NCZ 130 -1.420 2.818 0.365 754 2H18 NCZ 130 2H18 NCZ 130 -1.180 2.868 2.128 755 3H18 NCZ 130 3H18 NCZ 130 -2.608 3.641 1.404 756 1H NCZ 130 1H NCZ 130 1.148 8.006 1.021 Start of MODEL 12 1 H ALA 1 H ALA 1 -10.327 -6.360 9.959 2 HA ALA 1 HA ALA 1 -10.195 -5.883 7.635 3 1HB ALA 1 1HB ALA 1 -11.044 -7.516 6.328 4 2HB ALA 1 2HB ALA 1 -12.127 -8.092 7.619 5 3HB ALA 1 3HB ALA 1 -12.627 -6.740 6.572 6 H ALA 2 H ALA 2 -11.750 -5.181 10.343 7 HA ALA 2 HA ALA 2 -13.897 -3.559 9.364 8 1HB ALA 2 1HB ALA 2 -14.503 -3.655 11.529 9 2HB ALA 2 2HB ALA 2 -13.081 -4.685 11.819 10 3HB ALA 2 3HB ALA 2 -12.966 -2.923 12.046 11 HA PRO 3 HA PRO 3 -10.531 -0.310 10.180 12 1HB PRO 3 1HB PRO 3 -7.924 -1.121 10.238 13 2HB PRO 3 2HB PRO 3 -8.881 -0.855 11.691 14 1HG PRO 3 1HG PRO 3 -8.090 -3.374 10.377 15 2HG PRO 3 2HG PRO 3 -8.635 -3.116 12.075 16 1HD PRO 3 1HD PRO 3 -10.100 -4.242 9.886 17 2HD PRO 3 2HD PRO 3 -10.731 -3.860 11.495 18 H THR 4 H THR 4 -11.406 0.182 8.125 19 HA THR 4 HA THR 4 -11.347 0.274 5.869 20 HB THR 4 HB THR 4 -9.628 1.792 5.246 21 HG1 THR 4 1HG THR 4 -8.062 0.357 7.276 22 1HG2 THR 4 1HG2 THR 4 -8.964 3.098 7.242 23 2HG2 THR 4 2HG2 THR 4 -10.669 2.614 7.396 24 3HG2 THR 4 3HG2 THR 4 -9.412 1.740 8.303 25 H ALA 5 H ALA 5 -8.826 -0.007 4.244 26 HA ALA 5 HA ALA 5 -9.229 -2.736 3.588 27 1HB ALA 5 1HB ALA 5 -6.886 -1.781 2.334 28 2HB ALA 5 2HB ALA 5 -8.530 -1.830 1.654 29 3HB ALA 5 3HB ALA 5 -7.957 -0.368 2.489 30 H THR 6 H THR 6 -8.148 -4.537 4.266 31 HA THR 6 HA THR 6 -5.565 -4.157 5.588 32 HB THR 6 HB THR 6 -6.599 -5.937 7.291 33 HG1 THR 6 1HG THR 6 -8.849 -4.331 6.303 34 1HG2 THR 6 1HG2 THR 6 -7.755 -3.946 8.555 35 2HG2 THR 6 2HG2 THR 6 -6.003 -3.835 8.265 36 3HG2 THR 6 3HG2 THR 6 -7.136 -2.940 7.224 37 H VAL 7 H VAL 7 -4.103 -5.820 5.311 38 HA VAL 7 HA VAL 7 -4.715 -7.558 3.122 39 HB VAL 7 HB VAL 7 -2.331 -6.898 4.806 40 1HG1 VAL 7 1HG1 VAL 7 -2.388 -9.196 2.823 41 2HG1 VAL 7 2HG1 VAL 7 -0.992 -8.623 3.767 42 3HG1 VAL 7 3HG1 VAL 7 -2.374 -9.384 4.593 43 1HG2 VAL 7 1HG2 VAL 7 -3.005 -6.799 1.855 44 2HG2 VAL 7 2HG2 VAL 7 -2.675 -5.443 2.959 45 3HG2 VAL 7 3HG2 VAL 7 -1.359 -6.542 2.484 46 H THR 8 H THR 8 -5.645 -9.529 3.263 47 HA THR 8 HA THR 8 -6.716 -10.691 5.388 48 HB THR 8 HB THR 8 -5.499 -11.674 2.827 49 HG1 THR 8 1HG THR 8 -7.802 -12.518 2.891 50 1HG2 THR 8 1HG2 THR 8 -6.645 -13.622 4.881 51 2HG2 THR 8 2HG2 THR 8 -5.926 -14.006 3.300 52 3HG2 THR 8 3HG2 THR 8 -4.892 -13.438 4.633 53 HA PRO 9 HA PRO 9 -2.861 -12.878 6.851 54 1HB PRO 9 1HB PRO 9 -0.532 -12.807 5.425 55 2HB PRO 9 2HB PRO 9 -1.718 -14.101 5.270 56 1HG PRO 9 1HG PRO 9 -1.152 -11.824 3.483 57 2HG PRO 9 2HG PRO 9 -1.994 -13.368 3.100 58 1HD PRO 9 1HD PRO 9 -3.130 -10.771 3.504 59 2HD PRO 9 2HD PRO 9 -4.015 -12.289 3.289 60 H SER 10 H SER 10 -0.116 -12.265 7.152 61 HA SER 10 HA SER 10 -0.265 -9.435 7.753 62 1HB SER 10 1HB SER 10 -0.549 -11.439 9.712 63 2HB SER 10 2HB SER 10 1.124 -10.876 9.883 64 HG SER 10 HG SER 10 0.269 -8.686 10.028 65 H SER 11 H SER 11 1.694 -12.474 7.630 66 HA SER 11 HA SER 11 4.126 -11.030 7.483 67 1HB SER 11 1HB SER 11 5.159 -13.217 7.170 68 2HB SER 11 2HB SER 11 3.943 -13.325 8.455 69 HG SER 11 HG SER 11 3.581 -15.104 7.156 70 H GLY 12 H GLY 12 3.686 -9.588 5.647 71 1HA GLY 12 1HA GLY 12 3.028 -10.631 3.076 72 2HA GLY 12 2HA GLY 12 3.566 -9.009 3.468 73 H LEU 13 H LEU 13 5.792 -11.078 4.911 74 HA LEU 13 HA LEU 13 7.808 -10.404 3.064 75 1HB LEU 13 1HB LEU 13 9.142 -12.027 4.477 76 2HB LEU 13 2HB LEU 13 8.483 -10.585 5.269 77 HG LEU 13 HG LEU 13 6.560 -12.637 5.583 78 1HD1 LEU 13 1HD1 LEU 13 8.303 -14.131 6.995 79 2HD1 LEU 13 2HD1 LEU 13 7.799 -14.506 5.330 80 3HD1 LEU 13 3HD1 LEU 13 9.338 -13.666 5.626 81 1HD2 LEU 13 1HD2 LEU 13 6.529 -11.772 7.630 82 2HD2 LEU 13 2HD2 LEU 13 8.230 -12.207 7.920 83 3HD2 LEU 13 3HD2 LEU 13 7.830 -10.679 7.102 84 H SER 14 H SER 14 6.285 -11.300 1.217 85 HA SER 14 HA SER 14 7.419 -13.876 0.577 86 1HB SER 14 1HB SER 14 4.776 -13.657 1.473 87 2HB SER 14 2HB SER 14 4.617 -13.730 -0.292 88 HG SER 14 HG SER 14 4.598 -15.852 0.630 89 H ASP 15 H ASP 15 8.382 -13.624 -1.402 90 HA ASP 15 HA ASP 15 8.479 -11.502 -2.900 91 1HB ASP 15 1HB ASP 15 8.454 -14.420 -3.582 92 2HB ASP 15 2HB ASP 15 8.409 -13.291 -4.943 93 HD2 ASP 15 HD2 ASP 15 11.667 -12.112 -3.988 94 H GLY 16 H GLY 16 6.565 -10.220 -3.129 95 1HA GLY 16 1HA GLY 16 4.617 -9.539 -4.017 96 2HA GLY 16 2HA GLY 16 4.865 -10.724 -5.283 97 H THR 17 H THR 17 3.903 -10.570 -1.780 98 HA THR 17 HA THR 17 2.468 -13.024 -1.919 99 HB THR 17 HB THR 17 2.059 -10.852 0.167 100 HG1 THR 17 1HG THR 17 4.284 -10.862 0.196 101 1HG2 THR 17 1HG2 THR 17 1.884 -12.670 1.678 102 2HG2 THR 17 2HG2 THR 17 1.106 -13.331 0.221 103 3HG2 THR 17 3HG2 THR 17 2.786 -13.766 0.606 104 H VAL 18 H VAL 18 0.711 -13.332 -3.135 105 HA VAL 18 HA VAL 18 -1.003 -11.076 -3.699 106 HB VAL 18 HB VAL 18 -1.577 -13.891 -4.527 107 1HG1 VAL 18 1HG1 VAL 18 -2.978 -12.876 -5.935 108 2HG1 VAL 18 2HG1 VAL 18 -2.552 -11.318 -5.184 109 3HG1 VAL 18 3HG1 VAL 18 -1.656 -11.897 -6.610 110 1HG2 VAL 18 1HG2 VAL 18 0.030 -13.059 -6.565 111 2HG2 VAL 18 2HG2 VAL 18 0.889 -12.387 -5.159 112 3HG2 VAL 18 3HG2 VAL 18 0.553 -14.132 -5.244 113 H VAL 19 H VAL 19 -2.518 -10.464 -2.249 114 HA VAL 19 HA VAL 19 -4.079 -12.588 -0.994 115 HB VAL 19 HB VAL 19 -3.970 -11.405 1.163 116 1HG1 VAL 19 1HG1 VAL 19 -1.554 -12.629 -0.116 117 2HG1 VAL 19 2HG1 VAL 19 -1.384 -11.909 1.506 118 3HG1 VAL 19 3HG1 VAL 19 -2.561 -13.217 1.228 119 1HG2 VAL 19 1HG2 VAL 19 -1.661 -9.901 1.106 120 2HG2 VAL 19 2HG2 VAL 19 -2.432 -9.476 -0.440 121 3HG2 VAL 19 3HG2 VAL 19 -3.319 -9.253 1.087 122 H LYS 20 H LYS 20 -5.898 -11.178 0.418 123 HA LYS 20 HA LYS 20 -6.953 -9.296 -1.576 124 1HB LYS 20 1HB LYS 20 -9.189 -10.005 -0.825 125 2HB LYS 20 2HB LYS 20 -8.258 -11.328 -1.546 126 1HG LYS 20 1HG LYS 20 -8.315 -12.520 0.375 127 2HG LYS 20 2HG LYS 20 -7.810 -11.129 1.349 128 1HD LYS 20 1HD LYS 20 -9.967 -10.558 1.877 129 2HD LYS 20 2HD LYS 20 -10.612 -11.058 0.305 130 1HE LYS 20 1HE LYS 20 -9.598 -13.094 2.312 131 2HE LYS 20 2HE LYS 20 -11.247 -12.457 2.427 132 1HZ LYS 20 1HZ LYS 20 -10.974 -14.511 1.097 133 2HZ LYS 20 2HZ LYS 20 -11.710 -13.292 0.296 134 3HZ LYS 20 3HZ LYS 20 -10.148 -13.650 -0.017 135 H VAL 21 H VAL 21 -7.533 -7.261 -0.903 136 HA VAL 21 HA VAL 21 -7.092 -6.736 1.950 137 HB VAL 21 HB VAL 21 -6.446 -5.321 -0.564 138 1HG1 VAL 21 1HG1 VAL 21 -7.564 -3.900 1.857 139 2HG1 VAL 21 2HG1 VAL 21 -6.392 -3.114 0.770 140 3HG1 VAL 21 3HG1 VAL 21 -7.961 -3.670 0.136 141 1HG2 VAL 21 1HG2 VAL 21 -5.199 -5.173 2.198 142 2HG2 VAL 21 2HG2 VAL 21 -4.776 -6.392 0.971 143 3HG2 VAL 21 3HG2 VAL 21 -4.475 -4.667 0.652 144 H ALA 22 H ALA 22 -9.038 -6.859 2.983 145 HA ALA 22 HA ALA 22 -11.409 -5.936 1.594 146 1HB ALA 22 1HB ALA 22 -12.356 -6.694 3.955 147 2HB ALA 22 2HB ALA 22 -11.873 -7.899 2.737 148 3HB ALA 22 3HB ALA 22 -10.777 -7.504 4.080 149 H GLY 23 H GLY 23 -12.151 -3.883 1.747 150 1HA GLY 23 1HA GLY 23 -11.015 -2.181 3.862 151 2HA GLY 23 2HA GLY 23 -11.709 -1.646 2.344 152 H ALA 24 H ALA 24 -12.272 -1.510 5.544 153 HA ALA 24 HA ALA 24 -15.179 -1.790 5.203 154 1HB ALA 24 1HB ALA 24 -15.110 -2.125 7.754 155 2HB ALA 24 2HB ALA 24 -14.516 -3.468 6.748 156 3HB ALA 24 3HB ALA 24 -13.359 -2.381 7.556 157 H GLY 25 H GLY 25 -15.865 0.269 4.764 158 1HA GLY 25 1HA GLY 25 -16.548 2.335 5.542 159 2HA GLY 25 2HA GLY 25 -15.333 2.289 6.802 160 H LEU 26 H LEU 26 -14.248 1.337 3.610 161 HA LEU 26 HA LEU 26 -12.490 3.589 3.527 162 1HB LEU 26 1HB LEU 26 -12.252 1.055 2.773 163 2HB LEU 26 2HB LEU 26 -12.772 1.737 1.223 164 HG LEU 26 HG LEU 26 -10.632 2.197 0.845 165 1HD1 LEU 26 1HD1 LEU 26 -11.586 4.419 1.817 166 2HD1 LEU 26 2HD1 LEU 26 -10.476 4.091 3.170 167 3HD1 LEU 26 3HD1 LEU 26 -9.838 4.259 1.518 168 1HD2 LEU 26 1HD2 LEU 26 -9.251 2.246 3.331 169 2HD2 LEU 26 2HD2 LEU 26 -10.411 0.896 3.378 170 3HD2 LEU 26 3HD2 LEU 26 -9.218 0.999 2.062 171 H GLN 27 H GLN 27 -12.751 3.442 0.408 172 HA GLN 27 HA GLN 27 -14.084 5.807 0.121 173 1HB GLN 27 1HB GLN 27 -13.635 3.597 -1.923 174 2HB GLN 27 2HB GLN 27 -14.090 5.261 -2.329 175 1HG GLN 27 1HG GLN 27 -11.494 4.167 -1.285 176 2HG GLN 27 2HG GLN 27 -11.767 5.378 -2.545 177 1HE2 GLN 27 1HE2 GLN 27 -13.153 7.309 -1.556 178 2HE2 GLN 27 2HE2 GLN 27 -12.458 8.038 -0.147 179 H ALA 28 H ALA 28 -16.120 5.778 1.215 180 HA ALA 28 HA ALA 28 -18.061 3.834 0.917 181 1HB ALA 28 1HB ALA 28 -19.046 6.606 1.195 182 2HB ALA 28 2HB ALA 28 -19.222 5.214 2.290 183 3HB ALA 28 3HB ALA 28 -17.734 6.188 2.324 184 H GLY 29 H GLY 29 -18.144 3.139 -1.286 185 1HA GLY 29 1HA GLY 29 -19.182 3.093 -3.292 186 2HA GLY 29 2HA GLY 29 -20.026 4.572 -2.880 187 H THR 30 H THR 30 -16.748 5.148 -2.308 188 HA THR 30 HA THR 30 -16.531 6.574 -4.845 189 HB THR 30 HB THR 30 -14.325 7.023 -3.040 190 HG1 THR 30 1HG THR 30 -15.397 6.830 -1.112 191 1HG2 THR 30 1HG2 THR 30 -14.945 9.060 -3.925 192 2HG2 THR 30 2HG2 THR 30 -16.619 8.520 -4.203 193 3HG2 THR 30 3HG2 THR 30 -16.125 9.098 -2.592 194 H ALA 31 H ALA 31 -13.917 6.742 -5.386 195 HA ALA 31 HA ALA 31 -12.909 4.002 -5.468 196 1HB ALA 31 1HB ALA 31 -12.883 3.856 -7.768 197 2HB ALA 31 2HB ALA 31 -14.339 4.861 -7.568 198 3HB ALA 31 3HB ALA 31 -12.785 5.620 -7.990 199 H TYR 32 H TYR 32 -10.821 4.003 -4.813 200 HA TYR 32 HA TYR 32 -9.336 6.524 -5.152 201 1HB TYR 32 1HB TYR 32 -9.732 4.457 -2.982 202 2HB TYR 32 2HB TYR 32 -8.094 5.105 -3.126 203 HD1 TYR 32 1HD TYR 32 -8.421 5.940 -0.771 204 HD2 TYR 32 2HD TYR 32 -10.790 7.353 -4.043 205 HE1 TYR 32 1HE TYR 32 -9.122 7.964 0.600 206 HE2 TYR 32 2HE TYR 32 -11.482 9.372 -2.662 207 HH TYR 32 HH TYR 32 -11.545 10.210 -0.612 208 H ASP 33 H ASP 33 -6.789 5.683 -4.533 209 HA ASP 33 HA ASP 33 -6.327 3.763 -6.675 210 1HB ASP 33 1HB ASP 33 -4.147 4.811 -6.966 211 2HB ASP 33 2HB ASP 33 -5.391 6.069 -6.999 212 HD2 ASP 33 HD2 ASP 33 -4.192 7.494 -4.049 213 H VAL 34 H VAL 34 -5.849 1.744 -5.789 214 HA VAL 34 HA VAL 34 -4.820 1.565 -3.113 215 HB VAL 34 HB VAL 34 -6.253 -0.064 -4.967 216 1HG1 VAL 34 1HG1 VAL 34 -5.149 -2.190 -4.804 217 2HG1 VAL 34 2HG1 VAL 34 -3.974 -1.019 -5.453 218 3HG1 VAL 34 3HG1 VAL 34 -3.884 -1.516 -3.745 219 1HG2 VAL 34 1HG2 VAL 34 -7.245 -0.136 -2.939 220 2HG2 VAL 34 2HG2 VAL 34 -6.148 -1.511 -2.654 221 3HG2 VAL 34 3HG2 VAL 34 -5.715 0.112 -2.064 222 H GLY 35 H GLY 35 -2.745 0.970 -2.472 223 1HA GLY 35 1HA GLY 35 -0.787 -0.110 -4.153 224 2HA GLY 35 2HA GLY 35 -0.619 1.634 -4.191 225 H GLN 36 H GLN 36 1.351 -0.159 -3.089 226 HA GLN 36 HA GLN 36 0.997 0.136 -0.235 227 1HB GLN 36 1HB GLN 36 3.485 -1.061 -1.385 228 2HB GLN 36 2HB GLN 36 2.533 -1.575 0.017 229 1HG GLN 36 1HG GLN 36 1.433 -3.085 -1.243 230 2HG GLN 36 2HG GLN 36 0.928 -1.831 -2.386 231 1HE2 GLN 36 1HE2 GLN 36 3.177 -0.955 -3.498 232 2HE2 GLN 36 2HE2 GLN 36 4.020 -2.197 -4.357 233 H CYS 37 H CYS 37 1.377 2.292 0.296 234 HA CYS 37 HA CYS 37 3.862 3.439 -0.731 235 1HB CYS 37 1HB CYS 37 1.573 4.563 -1.071 236 2HB CYS 37 2HB CYS 37 1.679 4.992 0.638 237 H ALA 38 H ALA 38 5.207 4.656 0.871 238 HA ALA 38 HA ALA 38 4.765 4.762 3.565 239 1HB ALA 38 1HB ALA 38 6.560 2.682 3.904 240 2HB ALA 38 2HB ALA 38 4.806 2.586 4.188 241 3HB ALA 38 3HB ALA 38 5.485 2.060 2.628 242 H TRP 39 H TRP 39 6.818 5.285 4.776 243 HA TRP 39 HA TRP 39 8.420 6.971 3.241 244 1HB TRP 39 1HB TRP 39 9.778 7.174 5.261 245 2HB TRP 39 2HB TRP 39 8.052 7.363 5.578 246 HD1 TRP 39 HD TRP 39 6.851 5.099 6.776 247 HE1 TRP 39 1HE TRP 39 7.767 3.358 8.534 248 HE3 TRP 39 3HE TRP 39 11.776 6.070 5.961 249 HZ2 TRP 39 2HZ TRP 39 10.389 2.599 9.368 250 HZ3 TRP 39 3HZ TRP 39 13.448 4.787 7.290 251 HH2 TRP 39 HH TRP 39 12.823 3.101 8.944 252 H VAL 40 H VAL 40 10.008 6.441 1.805 253 HA VAL 40 HA VAL 40 11.178 3.771 2.039 254 HB VAL 40 HB VAL 40 10.036 5.012 -0.072 255 1HG1 VAL 40 1HG1 VAL 40 11.630 6.774 -0.321 256 2HG1 VAL 40 2HG1 VAL 40 12.999 5.641 -0.215 257 3HG1 VAL 40 3HG1 VAL 40 11.928 5.611 -1.636 258 1HG2 VAL 40 1HG2 VAL 40 10.526 2.670 -0.054 259 2HG2 VAL 40 2HG2 VAL 40 11.315 3.361 -1.492 260 3HG2 VAL 40 3HG2 VAL 40 12.282 2.970 -0.050 261 H ASP 41 H ASP 41 11.991 7.276 1.727 262 HA ASP 41 HA ASP 41 14.765 6.693 2.006 263 1HB ASP 41 1HB ASP 41 13.360 8.745 0.888 264 2HB ASP 41 2HB ASP 41 13.739 9.470 2.460 265 HD2 ASP 41 HD2 ASP 41 17.000 10.034 1.553 266 H THR 42 H THR 42 15.215 9.187 3.698 267 HA THR 42 HA THR 42 14.977 7.911 6.264 268 HB THR 42 HB THR 42 17.012 9.171 5.526 269 HG1 THR 42 1HG THR 42 16.331 9.082 7.811 270 1HG2 THR 42 1HG2 THR 42 15.320 11.686 5.884 271 2HG2 THR 42 2HG2 THR 42 16.990 11.567 5.279 272 3HG2 THR 42 3HG2 THR 42 15.635 10.998 4.274 273 H GLY 43 H GLY 43 12.431 7.997 5.543 274 1HA GLY 43 1HA GLY 43 10.619 8.608 6.935 275 2HA GLY 43 2HA GLY 43 11.363 10.168 7.224 276 H VAL 44 H VAL 44 12.046 9.814 4.052 277 HA VAL 44 HA VAL 44 9.970 11.564 3.247 278 HB VAL 44 HB VAL 44 12.057 10.054 1.662 279 1HG1 VAL 44 1HG1 VAL 44 9.943 11.983 0.894 280 2HG1 VAL 44 2HG1 VAL 44 11.566 12.319 0.242 281 3HG1 VAL 44 3HG1 VAL 44 10.786 10.751 -0.076 282 1HG2 VAL 44 1HG2 VAL 44 12.696 12.796 1.839 283 2HG2 VAL 44 2HG2 VAL 44 12.249 12.288 3.485 284 3HG2 VAL 44 3HG2 VAL 44 13.538 11.429 2.608 285 H LEU 45 H LEU 45 7.899 10.951 2.907 286 HA LEU 45 HA LEU 45 7.130 8.288 2.619 287 1HB LEU 45 1HB LEU 45 5.725 10.065 3.496 288 2HB LEU 45 2HB LEU 45 5.658 10.825 1.896 289 HG LEU 45 HG LEU 45 3.604 9.648 2.328 290 1HD1 LEU 45 1HD1 LEU 45 4.877 9.526 0.031 291 2HD1 LEU 45 2HD1 LEU 45 4.967 7.788 0.416 292 3HD1 LEU 45 3HD1 LEU 45 3.384 8.593 0.301 293 1HD2 LEU 45 1HD2 LEU 45 5.148 7.063 2.613 294 2HD2 LEU 45 2HD2 LEU 45 4.636 8.054 4.000 295 3HD2 LEU 45 3HD2 LEU 45 3.417 7.359 2.905 296 H ALA 46 H ALA 46 7.587 6.945 0.966 297 HA ALA 46 HA ALA 46 7.443 8.097 -1.735 298 1HB ALA 46 1HB ALA 46 9.598 7.555 -2.055 299 2HB ALA 46 2HB ALA 46 9.708 6.973 -0.376 300 3HB ALA 46 3HB ALA 46 9.226 5.856 -1.676 301 H CYS 47 H CYS 47 6.279 6.901 -3.234 302 HA CYS 47 HA CYS 47 4.976 4.535 -2.119 303 1HB CYS 47 1HB CYS 47 4.094 6.151 -4.505 304 2HB CYS 47 2HB CYS 47 3.177 4.917 -3.636 305 H ASN 48 H ASN 48 4.762 2.632 -3.548 306 HA ASN 48 HA ASN 48 7.114 2.311 -5.117 307 1HB ASN 48 1HB ASN 48 4.856 0.296 -5.019 308 2HB ASN 48 2HB ASN 48 6.597 -0.008 -5.075 309 1HD2 ASN 48 1HD2 ASN 48 7.117 2.083 -3.062 310 2HD2 ASN 48 2HD2 ASN 48 6.690 1.414 -1.522 311 HA PRO 49 HA PRO 49 5.150 2.725 -9.017 312 1HB PRO 49 1HB PRO 49 6.319 0.809 -10.574 313 2HB PRO 49 2HB PRO 49 7.095 2.344 -10.188 314 1HG PRO 49 1HG PRO 49 7.576 -0.354 -9.094 315 2HG PRO 49 2HG PRO 49 8.663 1.080 -9.063 316 1HD PRO 49 1HD PRO 49 7.105 -0.019 -6.928 317 2HD PRO 49 2HD PRO 49 8.031 1.486 -6.890 318 H ALA 50 H ALA 50 4.631 -0.025 -7.215 319 HA ALA 50 HA ALA 50 2.555 -0.904 -9.095 320 1HB ALA 50 1HB ALA 50 3.050 -3.025 -8.480 321 2HB ALA 50 2HB ALA 50 4.552 -2.334 -7.820 322 3HB ALA 50 3HB ALA 50 3.150 -2.597 -6.755 323 H ASP 51 H ASP 51 2.724 1.416 -6.963 324 HA ASP 51 HA ASP 51 0.710 0.546 -5.125 325 1HB ASP 51 1HB ASP 51 2.107 2.034 -4.045 326 2HB ASP 51 2HB ASP 51 2.444 2.959 -5.514 327 HD2 ASP 51 HD2 ASP 51 -0.203 5.128 -4.913 328 H PHE 52 H PHE 52 0.562 1.147 -8.301 329 HA PHE 52 HA PHE 52 -1.723 2.975 -8.169 330 1HB PHE 52 1HB PHE 52 -0.408 1.930 -10.697 331 2HB PHE 52 2HB PHE 52 -1.114 3.526 -10.417 332 HD1 PHE 52 1HD PHE 52 1.695 2.536 -11.543 333 HD2 PHE 52 2HD PHE 52 0.367 4.186 -7.867 334 HE1 PHE 52 1HE PHE 52 3.990 3.465 -11.131 335 HE2 PHE 52 2HE PHE 52 2.663 5.114 -7.455 336 HZ PHE 52 HZ PHE 52 4.446 4.742 -9.092 337 H SER 53 H SER 53 -3.408 1.566 -7.563 338 HA SER 53 HA SER 53 -4.175 -0.224 -9.687 339 1HB SER 53 1HB SER 53 -3.018 -1.171 -7.256 340 2HB SER 53 2HB SER 53 -4.745 -1.562 -7.188 341 HG SER 53 HG SER 53 -2.892 -2.239 -9.312 342 H SER 54 H SER 54 -5.817 1.423 -10.050 343 HA SER 54 HA SER 54 -7.363 2.699 -8.369 344 1HB SER 54 1HB SER 54 -9.147 2.657 -10.034 345 2HB SER 54 2HB SER 54 -7.579 2.731 -10.857 346 HG SER 54 HG SER 54 -9.540 0.710 -10.839 347 H VAL 55 H VAL 55 -9.235 2.355 -7.058 348 HA VAL 55 HA VAL 55 -10.305 -0.334 -6.919 349 HB VAL 55 HB VAL 55 -8.392 -0.414 -5.418 350 1HG1 VAL 55 1HG1 VAL 55 -9.517 2.172 -4.448 351 2HG1 VAL 55 2HG1 VAL 55 -8.786 1.092 -3.237 352 3HG1 VAL 55 3HG1 VAL 55 -7.825 1.649 -4.628 353 1HG2 VAL 55 1HG2 VAL 55 -9.539 -1.160 -3.400 354 2HG2 VAL 55 2HG2 VAL 55 -11.003 -0.267 -3.876 355 3HG2 VAL 55 3HG2 VAL 55 -10.452 -1.655 -4.845 356 H THR 56 H THR 56 -12.315 -0.383 -5.560 357 HA THR 56 HA THR 56 -13.430 2.222 -4.936 358 HB THR 56 HB THR 56 -13.909 0.873 -7.450 359 HG1 THR 56 1HG THR 56 -15.172 3.065 -5.957 360 1HG2 THR 56 1HG2 THR 56 -16.460 1.017 -7.301 361 2HG2 THR 56 2HG2 THR 56 -15.759 -0.376 -6.444 362 3HG2 THR 56 3HG2 THR 56 -16.287 1.056 -5.530 363 H ALA 57 H ALA 57 -14.864 2.174 -3.262 364 HA ALA 57 HA ALA 57 -15.344 -0.506 -2.164 365 1HB ALA 57 1HB ALA 57 -14.581 0.392 -0.251 366 2HB ALA 57 2HB ALA 57 -14.366 1.963 -1.059 367 3HB ALA 57 3HB ALA 57 -15.917 1.567 -0.281 368 H ASP 58 H ASP 58 -17.446 -1.154 -1.622 369 HA ASP 58 HA ASP 58 -19.465 -0.084 -3.162 370 1HB ASP 58 1HB ASP 58 -20.058 -1.552 -0.593 371 2HB ASP 58 2HB ASP 58 -20.849 -1.720 -2.167 372 HD2 ASP 58 HD2 ASP 58 -17.557 -3.495 -2.855 373 H ALA 59 H ALA 59 -21.572 0.904 -2.298 374 HA ALA 59 HA ALA 59 -21.255 3.256 -1.047 375 1HB ALA 59 1HB ALA 59 -23.714 1.595 -0.485 376 2HB ALA 59 2HB ALA 59 -23.590 3.320 -0.902 377 3HB ALA 59 3HB ALA 59 -23.325 2.079 -2.151 378 H ASN 60 H ASN 60 -21.296 0.035 0.432 379 HA ASN 60 HA ASN 60 -21.574 1.152 3.055 380 1HB ASN 60 1HB ASN 60 -22.183 -1.300 1.951 381 2HB ASN 60 2HB ASN 60 -20.654 -1.677 2.755 382 1HD2 ASN 60 1HD2 ASN 60 -22.428 -3.064 3.821 383 2HD2 ASN 60 2HD2 ASN 60 -23.113 -2.442 5.285 384 H GLY 61 H GLY 61 -19.293 2.088 1.467 385 1HA GLY 61 1HA GLY 61 -17.034 2.223 1.447 386 2HA GLY 61 2HA GLY 61 -17.220 2.124 3.186 387 H SER 62 H SER 62 -17.970 -0.462 0.783 388 HA SER 62 HA SER 62 -16.071 -2.121 2.214 389 1HB SER 62 1HB SER 62 -17.977 -3.133 0.104 390 2HB SER 62 2HB SER 62 -17.323 -3.990 1.511 391 HG SER 62 HG SER 62 -19.680 -3.138 1.487 392 H ALA 63 H ALA 63 -14.041 -1.707 1.299 393 HA ALA 63 HA ALA 63 -13.888 -1.846 -1.628 394 1HB ALA 63 1HB ALA 63 -12.678 0.032 -1.328 395 2HB ALA 63 2HB ALA 63 -12.635 -0.201 0.437 396 3HB ALA 63 3HB ALA 63 -11.422 -0.994 -0.596 397 H SER 64 H SER 64 -14.097 -4.204 -1.600 398 HA SER 64 HA SER 64 -11.976 -5.594 -0.241 399 1HB SER 64 1HB SER 64 -13.165 -7.632 -1.234 400 2HB SER 64 2HB SER 64 -14.099 -6.675 -0.070 401 HG SER 64 HG SER 64 -15.383 -5.892 -1.692 402 H THR 65 H THR 65 -10.243 -4.570 -1.585 403 HA THR 65 HA THR 65 -10.138 -5.715 -4.298 404 HB THR 65 HB THR 65 -10.027 -3.069 -3.544 405 HG1 THR 65 1HG THR 65 -9.147 -2.933 -5.709 406 1HG2 THR 65 1HG2 THR 65 -7.141 -3.756 -4.156 407 2HG2 THR 65 2HG2 THR 65 -7.811 -2.281 -3.418 408 3HG2 THR 65 3HG2 THR 65 -7.680 -3.776 -2.459 409 H SER 66 H SER 66 -8.367 -6.893 -4.977 410 HA SER 66 HA SER 66 -6.690 -7.749 -2.767 411 1HB SER 66 1HB SER 66 -6.156 -9.694 -4.259 412 2HB SER 66 2HB SER 66 -7.877 -9.566 -3.856 413 HG SER 66 HG SER 66 -7.227 -8.157 -6.162 414 H LEU 67 H LEU 67 -4.335 -8.057 -3.175 415 HA LEU 67 HA LEU 67 -3.223 -6.928 -5.555 416 1HB LEU 67 1HB LEU 67 -3.884 -5.121 -3.598 417 2HB LEU 67 2HB LEU 67 -2.175 -5.456 -3.260 418 HG LEU 67 HG LEU 67 -1.853 -4.996 -5.805 419 1HD1 LEU 67 1HD1 LEU 67 -3.783 -4.666 -6.892 420 2HD1 LEU 67 2HD1 LEU 67 -4.676 -4.277 -5.402 421 3HD1 LEU 67 3HD1 LEU 67 -3.703 -3.024 -6.208 422 1HD2 LEU 67 1HD2 LEU 67 -1.961 -2.422 -5.211 423 2HD2 LEU 67 2HD2 LEU 67 -2.227 -3.050 -3.567 424 3HD2 LEU 67 3HD2 LEU 67 -0.758 -3.501 -4.465 425 H THR 68 H THR 68 -0.729 -6.965 -5.372 426 HA THR 68 HA THR 68 -0.028 -9.322 -3.757 427 HB THR 68 HB THR 68 1.320 -8.213 -6.272 428 HG1 THR 68 1HG THR 68 -0.635 -10.355 -5.800 429 1HG2 THR 68 1HG2 THR 68 1.653 -10.920 -6.296 430 2HG2 THR 68 2HG2 THR 68 2.837 -9.826 -5.542 431 3HG2 THR 68 3HG2 THR 68 1.622 -10.652 -4.538 432 H VAL 69 H VAL 69 1.684 -9.309 -2.354 433 HA VAL 69 HA VAL 69 2.641 -6.657 -1.676 434 HB VAL 69 HB VAL 69 3.147 -9.307 -0.317 435 1HG1 VAL 69 1HG1 VAL 69 3.981 -8.134 1.480 436 2HG1 VAL 69 2HG1 VAL 69 4.514 -7.090 0.138 437 3HG1 VAL 69 3HG1 VAL 69 3.069 -6.657 1.083 438 1HG2 VAL 69 1HG2 VAL 69 1.287 -8.186 1.256 439 2HG2 VAL 69 2HG2 VAL 69 0.758 -7.522 -0.309 440 3HG2 VAL 69 3HG2 VAL 69 0.879 -9.284 -0.083 441 H ARG 70 H ARG 70 3.970 -6.271 -3.564 442 HA ARG 70 HA ARG 70 6.135 -8.109 -3.954 443 1HB ARG 70 1HB ARG 70 5.329 -5.513 -5.335 444 2HB ARG 70 2HB ARG 70 6.753 -6.454 -5.812 445 1HG ARG 70 1HG ARG 70 5.141 -8.449 -6.058 446 2HG ARG 70 2HG ARG 70 3.822 -7.272 -5.937 447 1HD ARG 70 1HD ARG 70 5.412 -6.070 -7.820 448 2HD ARG 70 2HD ARG 70 5.750 -7.773 -8.164 449 HE ARG 70 HE ARG 70 2.899 -7.203 -7.847 450 1HH1 ARG 70 1HH1 ARG 70 5.585 -7.207 -10.120 451 2HH1 ARG 70 2HH1 ARG 70 4.570 -7.346 -11.517 452 1HH2 ARG 70 1HH2 ARG 70 1.560 -7.386 -9.688 453 2HH2 ARG 70 2HH2 ARG 70 2.264 -7.446 -11.270 454 H ARG 71 H ARG 71 6.829 -7.549 -1.587 455 HA ARG 71 HA ARG 71 7.612 -5.264 -0.612 456 1HB ARG 71 1HB ARG 71 8.011 -7.596 0.334 457 2HB ARG 71 2HB ARG 71 9.497 -7.672 -0.628 458 1HG ARG 71 1HG ARG 71 10.430 -5.777 0.559 459 2HG ARG 71 2HG ARG 71 8.897 -5.460 1.390 460 1HD ARG 71 1HD ARG 71 10.580 -7.989 1.692 461 2HD ARG 71 2HD ARG 71 10.571 -6.645 2.843 462 HE ARG 71 HE ARG 71 7.964 -7.921 2.205 463 1HH1 ARG 71 1HH1 ARG 71 10.631 -7.536 4.468 464 2HH1 ARG 71 2HH1 ARG 71 9.751 -8.181 5.813 465 1HH2 ARG 71 1HH2 ARG 71 6.801 -8.771 3.979 466 2HH2 ARG 71 2HH2 ARG 71 7.557 -8.887 5.533 467 H SER 72 H SER 72 9.143 -6.938 -3.361 468 HA SER 72 HA SER 72 11.342 -5.087 -3.358 469 1HB SER 72 1HB SER 72 12.080 -6.396 -5.362 470 2HB SER 72 2HB SER 72 11.836 -7.403 -3.926 471 HG SER 72 HG SER 72 10.716 -8.559 -5.386 472 H PHE 73 H PHE 73 10.900 -3.047 -4.135 473 HA PHE 73 HA PHE 73 9.833 -2.829 -6.790 474 1HB PHE 73 1HB PHE 73 8.145 -1.059 -5.757 475 2HB PHE 73 2HB PHE 73 7.708 -2.770 -5.678 476 HD1 PHE 73 1HD PHE 73 9.909 -0.556 -3.617 477 HD2 PHE 73 2HD PHE 73 6.622 -3.236 -3.706 478 HE1 PHE 73 1HE PHE 73 9.690 -0.370 -1.124 479 HE2 PHE 73 2HE PHE 73 6.400 -3.049 -1.213 480 HZ PHE 73 HZ PHE 73 7.937 -1.618 0.048 481 H GLU 74 H GLU 74 9.841 -0.453 -7.508 482 HA GLU 74 HA GLU 74 12.173 0.759 -6.298 483 1HB GLU 74 1HB GLU 74 12.021 0.279 -8.788 484 2HB GLU 74 2HB GLU 74 10.789 1.548 -8.896 485 1HG GLU 74 1HG GLU 74 12.419 3.174 -7.948 486 2HG GLU 74 2HG GLU 74 13.649 1.904 -7.879 487 HE2 GLU 74 HE2 GLU 74 14.478 2.481 -11.148 488 H GLY 75 H GLY 75 11.226 1.720 -4.418 489 1HA GLY 75 1HA GLY 75 8.885 3.135 -4.243 490 2HA GLY 75 2HA GLY 75 10.317 3.436 -3.282 491 H PHE 76 H PHE 76 8.519 5.511 -4.072 492 HA PHE 76 HA PHE 76 10.361 7.093 -5.685 493 1HB PHE 76 1HB PHE 76 7.377 6.545 -6.075 494 2HB PHE 76 2HB PHE 76 8.101 8.022 -6.720 495 HD1 PHE 76 1HD PHE 76 8.041 4.349 -6.959 496 HD2 PHE 76 2HD PHE 76 9.474 7.953 -8.679 497 HE1 PHE 76 1HE PHE 76 8.729 3.092 -9.021 498 HE2 PHE 76 2HE PHE 76 10.161 6.698 -10.739 499 HZ PHE 76 HZ PHE 76 9.782 4.283 -10.886 500 H LEU 77 H LEU 77 10.911 8.817 -4.445 501 HA LEU 77 HA LEU 77 9.558 9.520 -2.127 502 1HB LEU 77 1HB LEU 77 11.293 11.354 -3.755 503 2HB LEU 77 2HB LEU 77 11.047 11.345 -1.999 504 HG LEU 77 HG LEU 77 12.597 9.364 -3.678 505 1HD1 LEU 77 1HD1 LEU 77 14.143 10.260 -1.535 506 2HD1 LEU 77 2HD1 LEU 77 14.280 10.749 -3.242 507 3HD1 LEU 77 3HD1 LEU 77 13.289 11.710 -2.117 508 1HD2 LEU 77 1HD2 LEU 77 11.434 9.073 -0.957 509 2HD2 LEU 77 2HD2 LEU 77 11.786 7.848 -2.199 510 3HD2 LEU 77 3HD2 LEU 77 13.101 8.503 -1.197 511 H PHE 78 H PHE 78 7.914 10.941 -1.634 512 HA PHE 78 HA PHE 78 6.044 11.517 -3.575 513 1HB PHE 78 1HB PHE 78 5.016 12.792 -1.756 514 2HB PHE 78 2HB PHE 78 5.871 11.444 -0.996 515 HD1 PHE 78 1HD PHE 78 6.051 15.064 -1.731 516 HD2 PHE 78 2HD PHE 78 7.627 11.843 0.538 517 HE1 PHE 78 1HE PHE 78 7.311 16.691 -0.294 518 HE2 PHE 78 2HE PHE 78 8.886 13.470 1.974 519 HZ PHE 78 HZ PHE 78 8.715 15.875 1.542 520 H ASP 79 H ASP 79 8.919 13.325 -2.522 521 HA ASP 79 HA ASP 79 8.283 15.836 -3.259 522 1HB ASP 79 1HB ASP 79 10.436 15.105 -2.249 523 2HB ASP 79 2HB ASP 79 10.914 14.377 -3.790 524 HD2 ASP 79 HD2 ASP 79 11.286 18.283 -3.272 525 H GLY 80 H GLY 80 8.676 12.960 -5.237 526 1HA GLY 80 1HA GLY 80 7.655 13.108 -7.448 527 2HA GLY 80 2HA GLY 80 8.528 14.608 -7.692 528 H THR 81 H THR 81 10.837 13.178 -6.019 529 HA THR 81 HA THR 81 12.105 12.090 -8.402 530 HB THR 81 HB THR 81 13.206 12.652 -5.598 531 HG1 THR 81 1HG THR 81 13.251 14.176 -8.106 532 1HG2 THR 81 1HG2 THR 81 14.948 11.492 -6.675 533 2HG2 THR 81 2HG2 THR 81 14.396 11.972 -8.297 534 3HG2 THR 81 3HG2 THR 81 15.252 13.142 -7.266 535 H ARG 82 H ARG 82 12.587 9.991 -8.775 536 HA ARG 82 HA ARG 82 11.284 8.125 -7.097 537 1HB ARG 82 1HB ARG 82 12.175 6.447 -8.736 538 2HB ARG 82 2HB ARG 82 11.334 7.787 -9.535 539 1HG ARG 82 1HG ARG 82 14.142 8.431 -9.168 540 2HG ARG 82 2HG ARG 82 13.990 6.871 -9.994 541 1HD ARG 82 1HD ARG 82 12.371 7.987 -11.598 542 2HD ARG 82 2HD ARG 82 12.756 9.537 -10.835 543 HE ARG 82 HE ARG 82 15.189 8.223 -11.586 544 1HH1 ARG 82 1HH1 ARG 82 12.423 9.832 -13.046 545 2HH1 ARG 82 2HH1 ARG 82 13.297 10.337 -14.453 546 1HH2 ARG 82 1HH2 ARG 82 16.344 8.889 -13.442 547 2HH2 ARG 82 2HH2 ARG 82 15.543 9.797 -14.680 548 H TRP 83 H TRP 83 12.237 6.579 -5.686 549 HA TRP 83 HA TRP 83 15.068 7.077 -5.104 550 1HB TRP 83 1HB TRP 83 13.504 7.566 -3.299 551 2HB TRP 83 2HB TRP 83 12.893 5.910 -3.360 552 HD1 TRP 83 HD TRP 83 13.936 4.499 -1.437 553 HE1 TRP 83 1HE TRP 83 16.205 4.332 -0.098 554 HE3 TRP 83 3HE TRP 83 16.286 8.269 -3.914 555 HZ2 TRP 83 2HZ TRP 83 18.670 5.764 -0.221 556 HZ3 TRP 83 3HZ TRP 83 18.621 8.820 -3.243 557 HH2 TRP 83 HH TRP 83 19.812 7.636 -1.467 558 H GLY 84 H GLY 84 13.026 4.253 -4.228 559 1HA GLY 84 1HA GLY 84 13.243 2.365 -5.970 560 2HA GLY 84 2HA GLY 84 14.954 2.527 -5.628 561 H THR 85 H THR 85 15.831 1.525 -3.827 562 HA THR 85 HA THR 85 15.869 0.606 -1.753 563 HB THR 85 HB THR 85 12.816 0.576 -1.742 564 HG1 THR 85 1HG THR 85 13.159 2.768 -1.885 565 1HG2 THR 85 1HG2 THR 85 14.776 -0.222 0.149 566 2HG2 THR 85 2HG2 THR 85 14.256 1.395 0.680 567 3HG2 THR 85 3HG2 THR 85 13.057 0.095 0.481 568 H VAL 86 H VAL 86 13.161 -0.618 -3.830 569 HA VAL 86 HA VAL 86 12.821 -2.618 -4.710 570 HB VAL 86 HB VAL 86 15.680 -3.160 -3.878 571 1HG1 VAL 86 1HG1 VAL 86 15.648 -5.156 -4.997 572 2HG1 VAL 86 2HG1 VAL 86 13.955 -5.116 -4.448 573 3HG1 VAL 86 3HG1 VAL 86 14.361 -4.639 -6.115 574 1HG2 VAL 86 1HG2 VAL 86 15.927 -2.855 -6.476 575 2HG2 VAL 86 2HG2 VAL 86 14.417 -1.927 -6.312 576 3HG2 VAL 86 3HG2 VAL 86 15.867 -1.432 -5.408 577 H ASP 87 H ASP 87 14.997 -4.392 -2.634 578 HA ASP 87 HA ASP 87 12.973 -5.878 -1.543 579 1HB ASP 87 1HB ASP 87 15.689 -6.011 -1.584 580 2HB ASP 87 2HB ASP 87 15.454 -5.502 0.095 581 HD2 ASP 87 HD2 ASP 87 14.520 -8.655 1.040 582 H CYS 88 H CYS 88 11.331 -4.500 -0.589 583 HA CYS 88 HA CYS 88 12.010 -2.472 1.254 584 1HB CYS 88 1HB CYS 88 10.018 -2.174 0.082 585 2HB CYS 88 2HB CYS 88 9.436 -3.802 0.443 586 H THR 89 H THR 89 13.540 -4.302 2.319 587 HA THR 89 HA THR 89 11.993 -5.811 4.302 588 HB THR 89 HB THR 89 13.676 -6.974 2.790 589 HG1 THR 89 1HG THR 89 13.159 -7.720 4.983 590 1HG2 THR 89 1HG2 THR 89 15.635 -5.766 2.495 591 2HG2 THR 89 2HG2 THR 89 15.433 -4.885 4.028 592 3HG2 THR 89 3HG2 THR 89 16.087 -6.540 4.033 593 H THR 90 H THR 90 13.904 -2.943 3.878 594 HA THR 90 HA THR 90 14.601 -2.838 6.702 595 HB THR 90 HB THR 90 15.188 -1.147 4.227 596 HG1 THR 90 1HG THR 90 17.368 -1.920 5.025 597 1HG2 THR 90 1HG2 THR 90 15.938 0.580 5.525 598 2HG2 THR 90 2HG2 THR 90 15.089 -0.166 6.900 599 3HG2 THR 90 3HG2 THR 90 16.802 -0.550 6.597 600 H ALA 91 H ALA 91 12.707 -0.854 4.326 601 HA ALA 91 HA ALA 91 11.446 0.481 6.577 602 1HB ALA 91 1HB ALA 91 12.308 1.697 4.536 603 2HB ALA 91 2HB ALA 91 11.042 0.882 3.587 604 3HB ALA 91 3HB ALA 91 10.591 1.997 4.898 605 H ALA 92 H ALA 92 9.085 0.582 6.776 606 HA ALA 92 HA ALA 92 7.920 -1.990 6.092 607 1HB ALA 92 1HB ALA 92 6.405 -1.565 7.835 608 2HB ALA 92 2HB ALA 92 7.904 -0.799 8.415 609 3HB ALA 92 3HB ALA 92 6.611 0.199 7.711 610 H CYS 93 H CYS 93 6.605 -2.264 4.363 611 HA CYS 93 HA CYS 93 5.782 0.122 2.946 612 1HB CYS 93 1HB CYS 93 4.892 -2.325 1.734 613 2HB CYS 93 2HB CYS 93 6.002 -1.099 1.116 614 H GLN 94 H GLN 94 3.723 0.945 3.151 615 HA GLN 94 HA GLN 94 1.831 -0.715 4.594 616 1HB GLN 94 1HB GLN 94 1.973 2.276 4.085 617 2HB GLN 94 2HB GLN 94 0.583 1.499 4.862 618 1HG GLN 94 1HG GLN 94 1.731 1.110 6.810 619 2HG GLN 94 2HG GLN 94 3.268 0.813 5.981 620 1HE2 GLN 94 1HE2 GLN 94 4.195 2.113 7.653 621 2HE2 GLN 94 2HE2 GLN 94 4.179 3.842 7.549 622 H VAL 95 H VAL 95 0.275 -1.765 3.443 623 HA VAL 95 HA VAL 95 -0.198 -0.915 0.711 624 HB VAL 95 HB VAL 95 -1.304 -3.283 2.226 625 1HG1 VAL 95 1HG1 VAL 95 -0.851 -3.561 -0.648 626 2HG1 VAL 95 2HG1 VAL 95 -2.303 -3.909 0.322 627 3HG1 VAL 95 3HG1 VAL 95 -1.996 -2.254 -0.259 628 1HG2 VAL 95 1HG2 VAL 95 0.731 -4.116 0.447 629 2HG2 VAL 95 2HG2 VAL 95 1.402 -2.758 1.381 630 3HG2 VAL 95 3HG2 VAL 95 0.739 -4.179 2.225 631 H GLY 96 H GLY 96 -1.659 0.686 0.391 632 1HA GLY 96 1HA GLY 96 -4.314 0.388 1.486 633 2HA GLY 96 2HA GLY 96 -3.425 1.756 2.128 634 H LEU 97 H LEU 97 -5.694 2.359 0.740 635 HA LEU 97 HA LEU 97 -4.757 3.082 -1.943 636 1HB LEU 97 1HB LEU 97 -7.259 3.518 -2.265 637 2HB LEU 97 2HB LEU 97 -6.666 1.848 -2.253 638 HG LEU 97 HG LEU 97 -7.769 3.118 0.242 639 1HD1 LEU 97 1HD1 LEU 97 -9.815 1.563 -0.930 640 2HD1 LEU 97 2HD1 LEU 97 -9.806 3.313 -0.606 641 3HD1 LEU 97 3HD1 LEU 97 -9.249 2.696 -2.180 642 1HD2 LEU 97 1HD2 LEU 97 -6.659 0.612 -0.377 643 2HD2 LEU 97 2HD2 LEU 97 -7.482 1.101 1.123 644 3HD2 LEU 97 3HD2 LEU 97 -8.407 0.339 -0.192 645 H SER 98 H SER 98 -4.522 5.212 -2.514 646 HA SER 98 HA SER 98 -4.842 7.073 -0.333 647 1HB SER 98 1HB SER 98 -2.872 7.769 -1.161 648 2HB SER 98 2HB SER 98 -3.066 6.796 -2.629 649 HG SER 98 HG SER 98 -3.316 8.676 -3.617 650 H ASP 99 H ASP 99 -5.801 9.282 -0.806 651 HA ASP 99 HA ASP 99 -8.262 8.900 -2.159 652 1HB ASP 99 1HB ASP 99 -7.387 11.641 -1.345 653 2HB ASP 99 2HB ASP 99 -8.936 10.832 -1.063 654 HD2 ASP 99 HD2 ASP 99 -7.999 10.384 2.180 655 H ALA 100 H ALA 100 -9.038 10.569 -3.846 656 HA ALA 100 HA ALA 100 -6.928 10.966 -5.787 657 1HB ALA 100 1HB ALA 100 -8.771 10.134 -6.880 658 2HB ALA 100 2HB ALA 100 -9.920 10.886 -5.745 659 3HB ALA 100 3HB ALA 100 -9.146 11.869 -7.012 660 H ALA 101 H ALA 101 -7.536 12.575 -3.099 661 HA ALA 101 HA ALA 101 -7.832 15.223 -4.277 662 1HB ALA 101 1HB ALA 101 -9.141 15.200 -2.394 663 2HB ALA 101 2HB ALA 101 -8.142 13.972 -1.581 664 3HB ALA 101 3HB ALA 101 -7.603 15.669 -1.626 665 H GLY 102 H GLY 102 -5.617 13.503 -1.955 666 1HA GLY 102 1HA GLY 102 -3.228 13.841 -3.068 667 2HA GLY 102 2HA GLY 102 -3.538 15.469 -2.497 668 H ASN 103 H ASN 103 -4.351 12.212 -1.100 669 HA ASN 103 HA ASN 103 -2.504 12.748 1.040 670 1HB ASN 103 1HB ASN 103 -5.418 12.058 1.627 671 2HB ASN 103 2HB ASN 103 -4.167 12.461 2.814 672 1HD2 ASN 103 1HD2 ASN 103 -6.583 13.585 0.690 673 2HD2 ASN 103 2HD2 ASN 103 -6.392 15.291 0.916 674 H GLY 104 H GLY 104 -2.191 10.708 2.395 675 1HA GLY 104 1HA GLY 104 -3.286 8.274 1.152 676 2HA GLY 104 2HA GLY 104 -1.550 8.475 1.275 677 HA PRO 105 HA PRO 105 -3.083 8.267 5.742 678 1HB PRO 105 1HB PRO 105 -5.758 8.217 6.299 679 2HB PRO 105 2HB PRO 105 -4.798 9.695 6.315 680 1HG PRO 105 1HG PRO 105 -6.706 8.694 4.299 681 2HG PRO 105 2HG PRO 105 -6.114 10.377 4.546 682 1HD PRO 105 1HD PRO 105 -5.366 8.508 2.509 683 2HD PRO 105 2HD PRO 105 -4.640 10.092 2.807 684 H GLU 106 H GLU 106 -4.524 6.439 3.285 685 HA GLU 106 HA GLU 106 -5.007 4.243 5.077 686 1HB GLU 106 1HB GLU 106 -6.005 5.087 2.542 687 2HB GLU 106 2HB GLU 106 -5.254 3.501 2.295 688 1HG GLU 106 1HG GLU 106 -7.510 3.046 2.902 689 2HG GLU 106 2HG GLU 106 -6.581 2.732 4.375 690 HE2 GLU 106 HE2 GLU 106 -8.082 5.366 6.048 691 H GLY 107 H GLY 107 -3.818 2.284 5.114 692 1HA GLY 107 1HA GLY 107 -2.065 1.192 3.459 693 2HA GLY 107 2HA GLY 107 -1.102 2.521 4.076 694 H VAL 108 H VAL 108 -1.832 -0.712 4.536 695 HA VAL 108 HA VAL 108 -1.412 -0.557 7.434 696 HB VAL 108 HB VAL 108 -3.384 -1.796 6.226 697 1HG1 VAL 108 1HG1 VAL 108 -2.975 -4.081 5.644 698 2HG1 VAL 108 2HG1 VAL 108 -1.801 -3.089 4.746 699 3HG1 VAL 108 3HG1 VAL 108 -1.286 -3.984 6.196 700 1HG2 VAL 108 1HG2 VAL 108 -3.756 -2.861 8.205 701 2HG2 VAL 108 2HG2 VAL 108 -2.110 -3.538 8.278 702 3HG2 VAL 108 3HG2 VAL 108 -2.395 -1.839 8.726 703 H ALA 109 H ALA 109 0.618 -0.901 8.162 704 HA ALA 109 HA ALA 109 2.723 -1.536 6.465 705 1HB ALA 109 1HB ALA 109 3.959 -1.872 8.643 706 2HB ALA 109 2HB ALA 109 3.064 -0.337 8.534 707 3HB ALA 109 3HB ALA 109 2.403 -1.688 9.486 708 H ILE 110 H ILE 110 2.370 -3.401 5.220 709 HA ILE 110 HA ILE 110 1.896 -5.867 6.706 710 HB ILE 110 HB ILE 110 0.997 -4.828 4.230 711 1HG1 ILE 110 1HG1 ILE 110 -0.348 -6.034 5.855 712 2HG1 ILE 110 2HG1 ILE 110 -0.442 -6.808 4.264 713 1HG2 ILE 110 1HG2 ILE 110 1.497 -6.839 2.785 714 2HG2 ILE 110 2HG2 ILE 110 2.852 -5.717 3.051 715 3HG2 ILE 110 3HG2 ILE 110 2.779 -7.255 3.945 716 1HD1 ILE 110 1HD1 ILE 110 1.642 -8.196 5.300 717 2HD1 ILE 110 2HD1 ILE 110 0.801 -7.778 6.812 718 3HD1 ILE 110 3HD1 ILE 110 -0.049 -8.690 5.544 719 H SER 111 H SER 111 3.289 -7.709 6.454 720 HA SER 111 HA SER 111 5.361 -8.123 4.950 721 1HB SER 111 1HB SER 111 6.662 -6.256 5.129 722 2HB SER 111 2HB SER 111 6.016 -5.816 6.720 723 HG SER 111 HG SER 111 7.385 -7.421 7.672 724 H PHE 112 H PHE 112 4.967 -7.494 8.515 725 HA PHE 112 HA PHE 112 5.209 -10.357 8.949 726 1HB PHE 112 1HB PHE 112 7.034 -10.074 10.482 727 2HB PHE 112 2HB PHE 112 7.467 -8.986 9.158 728 HD1 PHE 112 1HD PHE 112 6.118 -9.163 12.585 729 HD2 PHE 112 2HD PHE 112 7.565 -6.628 9.504 730 HE1 PHE 112 1HE PHE 112 6.256 -7.260 14.216 731 HE2 PHE 112 2HE PHE 112 7.702 -4.724 11.136 732 HZ PHE 112 HZ PHE 112 7.047 -5.063 13.471 733 H ASN 113 H ASN 113 3.868 -11.089 10.578 734 HA ASN 113 HA ASN 113 1.854 -9.467 11.451 735 1HB ASN 113 1HB ASN 113 1.257 -11.300 12.949 736 2HB ASN 113 2HB ASN 113 1.885 -12.008 11.454 737 1HD2 ASN 113 1HD2 ASN 113 2.074 -11.893 14.801 738 2HD2 ASN 113 2HD2 ASN 113 3.555 -12.753 15.057 739 6H NCZ 130 6H NCZ 130 0.584 14.018 0.521 740 6H1 NCZ 130 6H1 NCZ 130 -0.911 11.546 0.907 741 5H1 NCZ 130 5H1 NCZ 130 0.330 12.432 3.066 742 4H1 NCZ 130 4H1 NCZ 130 2.983 11.931 2.509 743 5H NCZ 130 5H NCZ 130 3.192 12.266 -1.103 744 3H1 NCZ 130 3H1 NCZ 130 2.945 10.572 0.485 745 2H1 NCZ 130 2H1 NCZ 130 1.209 11.672 -0.946 746 2H NCZ 130 2H NCZ 130 -0.249 8.579 -3.969 747 8H NCZ 130 8H NCZ 130 -0.845 5.430 -3.741 748 7H NCZ 130 7H NCZ 130 -1.339 4.160 -1.680 749 3H NCZ 130 3H NCZ 130 -0.412 4.805 2.886 750 1H17 NCZ 130 1H17 NCZ 130 1.462 8.434 4.747 751 2H17 NCZ 130 2H17 NCZ 130 1.988 8.742 3.076 752 3H17 NCZ 130 3H17 NCZ 130 0.291 9.008 3.537 753 1H18 NCZ 130 1H18 NCZ 130 -1.192 3.092 -0.203 754 2H18 NCZ 130 2H18 NCZ 130 -0.973 2.964 1.558 755 3H18 NCZ 130 3H18 NCZ 130 -2.417 3.768 0.897 756 1H NCZ 130 1H NCZ 130 1.209 8.257 1.029 Start of MODEL 13 1 H ALA 1 H ALA 1 -17.004 -7.062 11.232 2 HA ALA 1 HA ALA 1 -14.501 -7.482 12.379 3 1HB ALA 1 1HB ALA 1 -16.474 -9.072 10.764 4 2HB ALA 1 2HB ALA 1 -14.845 -9.744 11.013 5 3HB ALA 1 3HB ALA 1 -15.870 -9.348 12.415 6 H ALA 2 H ALA 2 -13.986 -5.374 10.687 7 HA ALA 2 HA ALA 2 -11.817 -6.354 9.206 8 1HB ALA 2 1HB ALA 2 -14.343 -5.669 7.669 9 2HB ALA 2 2HB ALA 2 -12.726 -5.591 6.931 10 3HB ALA 2 3HB ALA 2 -13.348 -7.139 7.554 11 HA PRO 3 HA PRO 3 -11.401 -2.103 10.353 12 1HB PRO 3 1HB PRO 3 -8.698 -2.166 10.739 13 2HB PRO 3 2HB PRO 3 -9.862 -2.526 12.011 14 1HG PRO 3 1HG PRO 3 -8.184 -4.347 10.407 15 2HG PRO 3 2HG PRO 3 -8.983 -4.658 11.990 16 1HD PRO 3 1HD PRO 3 -9.756 -5.580 9.393 17 2HD PRO 3 2HD PRO 3 -10.664 -5.781 10.896 18 H THR 4 H THR 4 -12.045 -1.126 8.463 19 HA THR 4 HA THR 4 -11.793 -0.375 6.357 20 HB THR 4 HB THR 4 -10.247 1.416 6.372 21 HG1 THR 4 1HG THR 4 -8.137 1.033 7.454 22 1HG2 THR 4 1HG2 THR 4 -10.257 2.309 8.531 23 2HG2 THR 4 2HG2 THR 4 -11.453 1.013 8.768 24 3HG2 THR 4 3HG2 THR 4 -9.766 0.767 9.276 25 H ALA 5 H ALA 5 -9.188 0.031 4.953 26 HA ALA 5 HA ALA 5 -9.185 -2.490 3.633 27 1HB ALA 5 1HB ALA 5 -8.909 -0.476 2.346 28 2HB ALA 5 2HB ALA 5 -7.544 0.055 3.359 29 3HB ALA 5 3HB ALA 5 -7.361 -1.353 2.286 30 H THR 6 H THR 6 -8.144 -4.277 4.349 31 HA THR 6 HA THR 6 -5.481 -3.917 5.500 32 HB THR 6 HB THR 6 -6.373 -5.783 7.200 33 HG1 THR 6 1HG THR 6 -8.500 -5.936 6.346 34 1HG2 THR 6 1HG2 THR 6 -7.369 -3.883 8.674 35 2HG2 THR 6 2HG2 THR 6 -5.675 -3.684 8.165 36 3HG2 THR 6 3HG2 THR 6 -6.966 -2.790 7.327 37 H VAL 7 H VAL 7 -4.075 -5.691 5.227 38 HA VAL 7 HA VAL 7 -4.826 -7.309 2.960 39 HB VAL 7 HB VAL 7 -2.351 -6.546 4.407 40 1HG1 VAL 7 1HG1 VAL 7 -1.025 -8.354 3.717 41 2HG1 VAL 7 2HG1 VAL 7 -2.490 -9.122 4.374 42 3HG1 VAL 7 3HG1 VAL 7 -2.277 -8.974 2.613 43 1HG2 VAL 7 1HG2 VAL 7 -1.514 -6.314 2.079 44 2HG2 VAL 7 2HG2 VAL 7 -3.083 -6.908 1.481 45 3HG2 VAL 7 3HG2 VAL 7 -2.994 -5.374 2.379 46 H THR 8 H THR 8 -5.478 -9.412 3.017 47 HA THR 8 HA THR 8 -6.510 -10.633 5.158 48 HB THR 8 HB THR 8 -5.265 -11.534 2.575 49 HG1 THR 8 1HG THR 8 -7.500 -10.880 2.767 50 1HG2 THR 8 1HG2 THR 8 -6.390 -13.541 4.582 51 2HG2 THR 8 2HG2 THR 8 -5.604 -13.876 3.019 52 3HG2 THR 8 3HG2 THR 8 -4.637 -13.293 4.395 53 HA PRO 9 HA PRO 9 -2.544 -12.664 6.535 54 1HB PRO 9 1HB PRO 9 -0.255 -12.524 5.049 55 2HB PRO 9 2HB PRO 9 -1.403 -13.855 4.930 56 1HG PRO 9 1HG PRO 9 -0.955 -11.568 3.121 57 2HG PRO 9 2HG PRO 9 -1.756 -13.140 2.765 58 1HD PRO 9 1HD PRO 9 -2.967 -10.581 3.188 59 2HD PRO 9 2HD PRO 9 -3.805 -12.125 3.002 60 H SER 10 H SER 10 0.149 -11.996 6.854 61 HA SER 10 HA SER 10 -0.059 -9.156 7.418 62 1HB SER 10 1HB SER 10 -0.161 -11.222 9.377 63 2HB SER 10 2HB SER 10 1.429 -10.456 9.535 64 HG SER 10 HG SER 10 0.495 -8.552 10.106 65 H SER 11 H SER 11 2.032 -12.120 7.381 66 HA SER 11 HA SER 11 4.428 -10.724 7.269 67 1HB SER 11 1HB SER 11 5.405 -12.868 6.569 68 2HB SER 11 2HB SER 11 4.244 -13.116 7.886 69 HG SER 11 HG SER 11 2.679 -13.505 5.965 70 H GLY 12 H GLY 12 3.841 -9.003 5.668 71 1HA GLY 12 1HA GLY 12 3.199 -9.576 2.991 72 2HA GLY 12 2HA GLY 12 3.871 -8.084 3.616 73 H LEU 13 H LEU 13 6.067 -10.228 4.752 74 HA LEU 13 HA LEU 13 7.958 -9.579 2.743 75 1HB LEU 13 1HB LEU 13 8.211 -11.565 4.990 76 2HB LEU 13 2HB LEU 13 9.522 -10.758 4.114 77 HG LEU 13 HG LEU 13 7.676 -8.874 5.376 78 1HD1 LEU 13 1HD1 LEU 13 9.274 -10.574 7.292 79 2HD1 LEU 13 2HD1 LEU 13 8.054 -9.330 7.653 80 3HD1 LEU 13 3HD1 LEU 13 7.556 -10.882 6.938 81 1HD2 LEU 13 1HD2 LEU 13 9.729 -8.046 4.578 82 2HD2 LEU 13 2HD2 LEU 13 9.895 -8.077 6.350 83 3HD2 LEU 13 3HD2 LEU 13 10.658 -9.344 5.363 84 H SER 14 H SER 14 6.146 -10.619 1.156 85 HA SER 14 HA SER 14 7.225 -13.261 0.589 86 1HB SER 14 1HB SER 14 4.566 -12.697 1.395 87 2HB SER 14 2HB SER 14 4.480 -13.032 -0.343 88 HG SER 14 HG SER 14 5.085 -15.097 -0.012 89 H ASP 15 H ASP 15 8.246 -13.161 -1.375 90 HA ASP 15 HA ASP 15 8.464 -11.145 -3.003 91 1HB ASP 15 1HB ASP 15 8.816 -12.743 -4.880 92 2HB ASP 15 2HB ASP 15 9.589 -13.295 -3.384 93 HD2 ASP 15 HD2 ASP 15 7.502 -15.874 -5.137 94 H GLY 16 H GLY 16 6.635 -9.791 -3.397 95 1HA GLY 16 1HA GLY 16 4.627 -9.141 -4.188 96 2HA GLY 16 2HA GLY 16 5.007 -10.184 -5.545 97 H THR 17 H THR 17 3.775 -10.383 -2.130 98 HA THR 17 HA THR 17 2.406 -12.846 -2.691 99 HB THR 17 HB THR 17 3.379 -11.433 -0.429 100 HG1 THR 17 1HG THR 17 1.511 -13.682 -0.726 101 1HG2 THR 17 1HG2 THR 17 0.370 -11.943 -0.208 102 2HG2 THR 17 2HG2 THR 17 1.450 -11.322 1.062 103 3HG2 THR 17 3HG2 THR 17 1.070 -10.314 -0.354 104 H VAL 18 H VAL 18 0.440 -13.138 -3.530 105 HA VAL 18 HA VAL 18 -1.171 -10.738 -3.929 106 HB VAL 18 HB VAL 18 -1.809 -13.430 -5.068 107 1HG1 VAL 18 1HG1 VAL 18 -2.515 -12.030 -7.002 108 2HG1 VAL 18 2HG1 VAL 18 -3.368 -11.628 -5.494 109 3HG1 VAL 18 3HG1 VAL 18 -2.056 -10.580 -6.083 110 1HG2 VAL 18 1HG2 VAL 18 0.613 -11.794 -5.676 111 2HG2 VAL 18 2HG2 VAL 18 0.361 -13.555 -5.769 112 3HG2 VAL 18 3HG2 VAL 18 -0.274 -12.495 -7.051 113 H VAL 19 H VAL 19 -2.715 -10.280 -2.458 114 HA VAL 19 HA VAL 19 -4.212 -12.530 -1.352 115 HB VAL 19 HB VAL 19 -4.143 -11.163 0.850 116 1HG1 VAL 19 1HG1 VAL 19 -1.581 -12.306 0.979 117 2HG1 VAL 19 2HG1 VAL 19 -3.130 -13.077 1.396 118 3HG1 VAL 19 3HG1 VAL 19 -2.460 -13.257 -0.242 119 1HG2 VAL 19 1HG2 VAL 19 -1.777 -10.053 -0.658 120 2HG2 VAL 19 2HG2 VAL 19 -3.016 -9.191 0.286 121 3HG2 VAL 19 3HG2 VAL 19 -1.775 -10.156 1.119 122 H LYS 20 H LYS 20 -5.992 -11.170 0.242 123 HA LYS 20 HA LYS 20 -7.209 -9.328 -1.692 124 1HB LYS 20 1HB LYS 20 -8.216 -11.635 -0.227 125 2HB LYS 20 2HB LYS 20 -9.224 -10.197 0.011 126 1HG LYS 20 1HG LYS 20 -9.512 -9.925 -2.375 127 2HG LYS 20 2HG LYS 20 -8.300 -11.169 -2.728 128 1HD LYS 20 1HD LYS 20 -9.862 -12.786 -2.598 129 2HD LYS 20 2HD LYS 20 -10.355 -12.256 -0.980 130 1HE LYS 20 1HE LYS 20 -11.289 -10.417 -3.061 131 2HE LYS 20 2HE LYS 20 -11.861 -12.068 -3.359 132 1HZ LYS 20 1HZ LYS 20 -12.616 -10.236 -1.338 133 2HZ LYS 20 2HZ LYS 20 -13.376 -11.592 -1.844 134 3HZ LYS 20 3HZ LYS 20 -12.207 -11.685 -0.708 135 H VAL 21 H VAL 21 -7.802 -7.282 -1.034 136 HA VAL 21 HA VAL 21 -7.155 -6.659 1.764 137 HB VAL 21 HB VAL 21 -6.968 -4.987 -0.749 138 1HG1 VAL 21 1HG1 VAL 21 -5.800 -3.404 1.023 139 2HG1 VAL 21 2HG1 VAL 21 -7.560 -3.358 0.762 140 3HG1 VAL 21 3HG1 VAL 21 -6.891 -4.244 2.152 141 1HG2 VAL 21 1HG2 VAL 21 -4.819 -5.965 1.161 142 2HG2 VAL 21 2HG2 VAL 21 -5.149 -6.620 -0.460 143 3HG2 VAL 21 3HG2 VAL 21 -4.567 -4.948 -0.279 144 H ALA 22 H ALA 22 -9.089 -6.769 2.843 145 HA ALA 22 HA ALA 22 -11.471 -5.772 1.527 146 1HB ALA 22 1HB ALA 22 -11.992 -7.706 2.678 147 2HB ALA 22 2HB ALA 22 -10.803 -7.392 3.964 148 3HB ALA 22 3HB ALA 22 -12.343 -6.503 3.942 149 H GLY 23 H GLY 23 -12.239 -3.732 1.774 150 1HA GLY 23 1HA GLY 23 -11.036 -2.099 3.925 151 2HA GLY 23 2HA GLY 23 -11.566 -1.497 2.367 152 H ALA 24 H ALA 24 -12.693 -2.956 5.459 153 HA ALA 24 HA ALA 24 -15.438 -2.294 4.840 154 1HB ALA 24 1HB ALA 24 -15.532 -4.197 6.078 155 2HB ALA 24 2HB ALA 24 -13.939 -3.911 6.819 156 3HB ALA 24 3HB ALA 24 -15.382 -3.093 7.466 157 H GLY 25 H GLY 25 -16.400 -0.383 5.331 158 1HA GLY 25 1HA GLY 25 -16.878 1.486 6.552 159 2HA GLY 25 2HA GLY 25 -15.561 1.126 7.650 160 H LEU 26 H LEU 26 -14.784 0.980 4.235 161 HA LEU 26 HA LEU 26 -13.121 3.329 4.566 162 1HB LEU 26 1HB LEU 26 -12.701 0.907 3.440 163 2HB LEU 26 2HB LEU 26 -13.118 1.867 2.010 164 HG LEU 26 HG LEU 26 -10.902 2.249 1.977 165 1HD1 LEU 26 1HD1 LEU 26 -10.942 4.163 4.218 166 2HD1 LEU 26 2HD1 LEU 26 -10.549 4.403 2.498 167 3HD1 LEU 26 3HD1 LEU 26 -12.248 4.372 3.026 168 1HD2 LEU 26 1HD2 LEU 26 -9.615 1.171 3.424 169 2HD2 LEU 26 2HD2 LEU 26 -9.958 2.403 4.662 170 3HD2 LEU 26 3HD2 LEU 26 -11.003 0.968 4.521 171 H GLN 27 H GLN 27 -13.239 3.686 1.514 172 HA GLN 27 HA GLN 27 -15.120 5.755 1.597 173 1HB GLN 27 1HB GLN 27 -13.126 4.683 -0.270 174 2HB GLN 27 2HB GLN 27 -14.548 5.332 -1.103 175 1HG GLN 27 1HG GLN 27 -12.741 7.031 -0.724 176 2HG GLN 27 2HG GLN 27 -14.278 7.485 0.028 177 1HE2 GLN 27 1HE2 GLN 27 -11.151 7.696 0.471 178 2HE2 GLN 27 2HE2 GLN 27 -10.982 7.512 2.187 179 H ALA 28 H ALA 28 -17.154 4.752 2.168 180 HA ALA 28 HA ALA 28 -18.236 2.639 0.646 181 1HB ALA 28 1HB ALA 28 -19.142 2.824 2.777 182 2HB ALA 28 2HB ALA 28 -19.214 4.601 2.710 183 3HB ALA 28 3HB ALA 28 -20.399 3.627 1.808 184 H GLY 29 H GLY 29 -18.338 2.970 -1.564 185 1HA GLY 29 1HA GLY 29 -19.745 3.638 -3.314 186 2HA GLY 29 2HA GLY 29 -20.174 5.091 -2.434 187 H THR 30 H THR 30 -17.076 5.222 -1.717 188 HA THR 30 HA THR 30 -16.430 6.801 -4.084 189 HB THR 30 HB THR 30 -14.425 7.019 -2.074 190 HG1 THR 30 1HG THR 30 -16.213 7.535 -0.338 191 1HG2 THR 30 1HG2 THR 30 -16.910 8.769 -2.100 192 2HG2 THR 30 2HG2 THR 30 -15.217 9.243 -1.821 193 3HG2 THR 30 3HG2 THR 30 -15.767 8.837 -3.465 194 H ALA 31 H ALA 31 -13.801 6.794 -4.369 195 HA ALA 31 HA ALA 31 -12.750 4.124 -4.270 196 1HB ALA 31 1HB ALA 31 -12.813 5.199 -7.046 197 2HB ALA 31 2HB ALA 31 -12.939 3.522 -6.465 198 3HB ALA 31 3HB ALA 31 -14.362 4.593 -6.410 199 H TYR 32 H TYR 32 -10.452 4.095 -4.938 200 HA TYR 32 HA TYR 32 -9.249 6.671 -5.467 201 1HB TYR 32 1HB TYR 32 -7.731 5.637 -3.334 202 2HB TYR 32 2HB TYR 32 -8.895 6.956 -3.177 203 HD1 TYR 32 1HD TYR 32 -9.411 3.273 -3.665 204 HD2 TYR 32 2HD TYR 32 -9.959 6.670 -1.124 205 HE1 TYR 32 1HE TYR 32 -10.783 1.858 -2.058 206 HE2 TYR 32 2HE TYR 32 -11.329 5.244 0.474 207 HH TYR 32 HH TYR 32 -12.486 2.178 -0.390 208 H ASP 33 H ASP 33 -6.587 5.975 -4.825 209 HA ASP 33 HA ASP 33 -6.220 3.848 -6.768 210 1HB ASP 33 1HB ASP 33 -5.152 6.365 -6.680 211 2HB ASP 33 2HB ASP 33 -3.887 5.466 -5.828 212 HD2 ASP 33 HD2 ASP 33 -3.723 3.523 -9.001 213 H VAL 34 H VAL 34 -5.779 1.860 -5.802 214 HA VAL 34 HA VAL 34 -4.817 1.762 -3.104 215 HB VAL 34 HB VAL 34 -6.225 0.093 -4.926 216 1HG1 VAL 34 1HG1 VAL 34 -3.899 -1.370 -3.641 217 2HG1 VAL 34 2HG1 VAL 34 -5.141 -2.030 -4.733 218 3HG1 VAL 34 3HG1 VAL 34 -3.930 -0.882 -5.353 219 1HG2 VAL 34 1HG2 VAL 34 -5.558 0.067 -1.990 220 2HG2 VAL 34 2HG2 VAL 34 -7.122 0.335 -2.795 221 3HG2 VAL 34 3HG2 VAL 34 -6.425 -1.302 -2.729 222 H GLY 35 H GLY 35 -2.759 1.259 -2.384 223 1HA GLY 35 1HA GLY 35 -0.760 0.061 -3.939 224 2HA GLY 35 2HA GLY 35 -0.587 1.799 -4.080 225 H GLN 36 H GLN 36 1.286 -0.045 -2.778 226 HA GLN 36 HA GLN 36 0.880 0.527 0.025 227 1HB GLN 36 1HB GLN 36 3.320 -0.903 -0.965 228 2HB GLN 36 2HB GLN 36 2.335 -1.222 0.473 229 1HG GLN 36 1HG GLN 36 1.158 -2.787 -0.642 230 2HG GLN 36 2HG GLN 36 0.727 -1.628 -1.907 231 1HE2 GLN 36 1HE2 GLN 36 2.937 -0.997 -3.158 232 2HE2 GLN 36 2HE2 GLN 36 3.746 -2.361 -3.857 233 H CYS 37 H CYS 37 1.421 2.641 0.498 234 HA CYS 37 HA CYS 37 3.935 3.614 -0.634 235 1HB CYS 37 1HB CYS 37 1.700 4.837 -0.982 236 2HB CYS 37 2HB CYS 37 1.860 5.331 0.706 237 H ALA 38 H ALA 38 5.381 4.817 0.881 238 HA ALA 38 HA ALA 38 4.978 5.020 3.596 239 1HB ALA 38 1HB ALA 38 4.879 2.742 4.025 240 2HB ALA 38 2HB ALA 38 5.966 2.332 2.678 241 3HB ALA 38 3HB ALA 38 6.629 3.025 4.177 242 H TRP 39 H TRP 39 7.104 5.482 4.757 243 HA TRP 39 HA TRP 39 8.662 7.162 3.146 244 1HB TRP 39 1HB TRP 39 10.005 7.493 5.106 245 2HB TRP 39 2HB TRP 39 8.292 7.514 5.535 246 HD1 TRP 39 HD TRP 39 11.413 5.237 5.896 247 HE1 TRP 39 1HE TRP 39 11.124 3.557 7.910 248 HE3 TRP 39 3HE TRP 39 6.583 6.461 6.908 249 HZ2 TRP 39 2HZ TRP 39 8.956 2.945 9.663 250 HZ3 TRP 39 3HZ TRP 39 5.454 5.275 8.785 251 HH2 TRP 39 HH TRP 39 6.562 3.569 10.143 252 H VAL 40 H VAL 40 9.974 6.412 1.528 253 HA VAL 40 HA VAL 40 11.319 3.852 1.965 254 HB VAL 40 HB VAL 40 9.911 4.916 -0.174 255 1HG1 VAL 40 1HG1 VAL 40 11.597 5.052 -2.001 256 2HG1 VAL 40 2HG1 VAL 40 11.746 6.371 -0.811 257 3HG1 VAL 40 3HG1 VAL 40 12.887 5.003 -0.775 258 1HG2 VAL 40 1HG2 VAL 40 10.985 2.891 -1.397 259 2HG2 VAL 40 2HG2 VAL 40 11.785 2.577 0.159 260 3HG2 VAL 40 3HG2 VAL 40 10.009 2.595 0.060 261 H ASP 41 H ASP 41 11.817 7.347 1.441 262 HA ASP 41 HA ASP 41 14.650 6.952 1.248 263 1HB ASP 41 1HB ASP 41 13.046 8.792 0.145 264 2HB ASP 41 2HB ASP 41 13.384 9.661 1.651 265 HD2 ASP 41 HD2 ASP 41 16.334 10.778 0.372 266 H THR 42 H THR 42 15.242 9.530 2.696 267 HA THR 42 HA THR 42 15.345 8.437 5.364 268 HB THR 42 HB THR 42 17.207 9.698 4.043 269 HG1 THR 42 1HG THR 42 17.433 9.347 6.300 270 1HG2 THR 42 1HG2 THR 42 17.115 12.014 3.849 271 2HG2 THR 42 2HG2 THR 42 15.367 11.704 3.746 272 3HG2 THR 42 3HG2 THR 42 16.094 12.188 5.295 273 H GLY 43 H GLY 43 12.724 8.563 4.939 274 1HA GLY 43 1HA GLY 43 11.122 9.333 6.506 275 2HA GLY 43 2HA GLY 43 11.932 10.886 6.571 276 H VAL 44 H VAL 44 11.987 9.834 3.346 277 HA VAL 44 HA VAL 44 9.835 11.668 2.703 278 HB VAL 44 HB VAL 44 11.679 10.206 0.818 279 1HG1 VAL 44 1HG1 VAL 44 9.728 12.440 0.620 280 2HG1 VAL 44 2HG1 VAL 44 11.253 12.640 -0.279 281 3HG1 VAL 44 3HG1 VAL 44 10.215 11.226 -0.587 282 1HG2 VAL 44 1HG2 VAL 44 13.249 12.036 0.961 283 2HG2 VAL 44 2HG2 VAL 44 12.207 12.897 2.119 284 3HG2 VAL 44 3HG2 VAL 44 12.994 11.372 2.591 285 H LEU 45 H LEU 45 7.791 10.942 2.453 286 HA LEU 45 HA LEU 45 7.197 8.202 2.410 287 1HB LEU 45 1HB LEU 45 5.813 10.735 2.471 288 2HB LEU 45 2HB LEU 45 4.976 9.571 1.429 289 HG LEU 45 HG LEU 45 5.836 8.840 4.222 290 1HD1 LEU 45 1HD1 LEU 45 4.602 10.746 4.736 291 2HD1 LEU 45 2HD1 LEU 45 3.453 10.488 3.401 292 3HD1 LEU 45 3HD1 LEU 45 3.401 9.437 4.836 293 1HD2 LEU 45 1HD2 LEU 45 3.739 7.389 3.972 294 2HD2 LEU 45 2HD2 LEU 45 3.818 7.792 2.240 295 3HD2 LEU 45 3HD2 LEU 45 5.173 6.942 3.017 296 H ALA 46 H ALA 46 8.040 6.969 0.770 297 HA ALA 46 HA ALA 46 7.516 7.935 -1.957 298 1HB ALA 46 1HB ALA 46 9.661 7.408 -2.359 299 2HB ALA 46 2HB ALA 46 9.859 6.907 -0.662 300 3HB ALA 46 3HB ALA 46 9.340 5.724 -1.885 301 H CYS 47 H CYS 47 6.330 6.654 -3.372 302 HA CYS 47 HA CYS 47 5.052 4.361 -2.101 303 1HB CYS 47 1HB CYS 47 4.180 5.706 -4.646 304 2HB CYS 47 2HB CYS 47 3.247 4.635 -3.596 305 H ASN 48 H ASN 48 4.826 2.355 -3.393 306 HA ASN 48 HA ASN 48 7.208 1.867 -4.859 307 1HB ASN 48 1HB ASN 48 4.909 -0.088 -4.779 308 2HB ASN 48 2HB ASN 48 6.643 -0.415 -4.645 309 1HD2 ASN 48 1HD2 ASN 48 7.062 1.763 -2.743 310 2HD2 ASN 48 2HD2 ASN 48 6.460 1.231 -1.208 311 HA PRO 49 HA PRO 49 5.416 2.015 -8.864 312 1HB PRO 49 1HB PRO 49 6.412 -0.160 -10.186 313 2HB PRO 49 2HB PRO 49 7.340 1.315 -9.919 314 1HG PRO 49 1HG PRO 49 7.497 -1.296 -8.555 315 2HG PRO 49 2HG PRO 49 8.730 0.013 -8.621 316 1HD PRO 49 1HD PRO 49 7.004 -0.698 -6.450 317 2HD PRO 49 2HD PRO 49 8.089 0.697 -6.522 318 H ALA 50 H ALA 50 4.590 -0.526 -6.854 319 HA ALA 50 HA ALA 50 2.450 -1.317 -8.701 320 1HB ALA 50 1HB ALA 50 4.217 -2.945 -7.565 321 2HB ALA 50 2HB ALA 50 3.116 -2.805 -6.175 322 3HB ALA 50 3HB ALA 50 2.509 -3.420 -7.731 323 H ASP 51 H ASP 51 2.791 1.147 -6.813 324 HA ASP 51 HA ASP 51 0.734 0.623 -4.891 325 1HB ASP 51 1HB ASP 51 2.333 2.089 -4.031 326 2HB ASP 51 2HB ASP 51 2.568 2.917 -5.577 327 HD2 ASP 51 HD2 ASP 51 -0.041 4.321 -2.988 328 H PHE 52 H PHE 52 0.678 1.004 -8.143 329 HA PHE 52 HA PHE 52 -1.554 2.902 -8.150 330 1HB PHE 52 1HB PHE 52 -0.277 1.766 -10.640 331 2HB PHE 52 2HB PHE 52 -0.817 3.423 -10.343 332 HD1 PHE 52 1HD PHE 52 1.924 1.862 -11.297 333 HD2 PHE 52 2HD PHE 52 0.680 4.203 -7.984 334 HE1 PHE 52 1HE PHE 52 4.305 2.547 -10.887 335 HE2 PHE 52 2HE PHE 52 3.060 4.887 -7.573 336 HZ PHE 52 HZ PHE 52 4.844 4.049 -9.029 337 H SER 53 H SER 53 -3.280 1.544 -7.537 338 HA SER 53 HA SER 53 -4.070 -0.255 -9.630 339 1HB SER 53 1HB SER 53 -2.860 -1.248 -7.267 340 2HB SER 53 2HB SER 53 -4.593 -1.582 -7.096 341 HG SER 53 HG SER 53 -4.285 -3.212 -8.436 342 H SER 54 H SER 54 -5.716 1.383 -9.970 343 HA SER 54 HA SER 54 -7.223 2.658 -8.232 344 1HB SER 54 1HB SER 54 -9.142 2.391 -9.902 345 2HB SER 54 2HB SER 54 -7.612 2.987 -10.568 346 HG SER 54 HG SER 54 -8.616 0.271 -10.675 347 H VAL 55 H VAL 55 -8.866 2.260 -6.731 348 HA VAL 55 HA VAL 55 -10.055 -0.403 -6.718 349 HB VAL 55 HB VAL 55 -8.288 0.790 -4.631 350 1HG1 VAL 55 1HG1 VAL 55 -9.321 -0.497 -2.849 351 2HG1 VAL 55 2HG1 VAL 55 -10.511 0.629 -3.543 352 3HG1 VAL 55 3HG1 VAL 55 -10.571 -1.098 -3.965 353 1HG2 VAL 55 1HG2 VAL 55 -7.473 -1.462 -4.424 354 2HG2 VAL 55 2HG2 VAL 55 -8.822 -2.098 -5.398 355 3HG2 VAL 55 3HG2 VAL 55 -7.579 -1.073 -6.157 356 H THR 56 H THR 56 -12.033 -0.472 -5.323 357 HA THR 56 HA THR 56 -13.104 2.140 -4.620 358 HB THR 56 HB THR 56 -13.577 1.175 -7.158 359 HG1 THR 56 1HG THR 56 -15.248 2.776 -6.982 360 1HG2 THR 56 1HG2 THR 56 -15.934 0.340 -5.387 361 2HG2 THR 56 2HG2 THR 56 -15.916 0.349 -7.167 362 3HG2 THR 56 3HG2 THR 56 -14.885 -0.791 -6.274 363 H ALA 57 H ALA 57 -14.807 2.070 -3.100 364 HA ALA 57 HA ALA 57 -15.009 -0.563 -1.814 365 1HB ALA 57 1HB ALA 57 -15.931 1.433 -0.060 366 2HB ALA 57 2HB ALA 57 -14.358 0.603 -0.002 367 3HB ALA 57 3HB ALA 57 -14.517 2.150 -0.867 368 H ASP 58 H ASP 58 -17.026 -1.471 -1.425 369 HA ASP 58 HA ASP 58 -19.082 -0.655 -3.091 370 1HB ASP 58 1HB ASP 58 -19.672 -2.244 -0.608 371 2HB ASP 58 2HB ASP 58 -20.240 -2.516 -2.263 372 HD2 ASP 58 HD2 ASP 58 -16.803 -3.866 -2.767 373 H ALA 59 H ALA 59 -21.294 0.124 -2.401 374 HA ALA 59 HA ALA 59 -21.319 2.414 -0.991 375 1HB ALA 59 1HB ALA 59 -23.467 0.301 -1.373 376 2HB ALA 59 2HB ALA 59 -23.800 1.895 -0.655 377 3HB ALA 59 3HB ALA 59 -23.197 1.780 -2.326 378 H ASN 60 H ASN 60 -21.207 -0.889 0.272 379 HA ASN 60 HA ASN 60 -21.909 -0.007 2.905 380 1HB ASN 60 1HB ASN 60 -22.123 -2.414 1.585 381 2HB ASN 60 2HB ASN 60 -20.653 -2.698 2.531 382 1HD2 ASN 60 1HD2 ASN 60 -23.534 -3.655 2.623 383 2HD2 ASN 60 2HD2 ASN 60 -24.030 -3.457 4.272 384 H GLY 61 H GLY 61 -19.549 1.228 1.613 385 1HA GLY 61 1HA GLY 61 -17.326 1.568 1.876 386 2HA GLY 61 2HA GLY 61 -17.720 1.407 3.576 387 H SER 62 H SER 62 -17.777 -1.097 0.955 388 HA SER 62 HA SER 62 -15.760 -2.512 2.518 389 1HB SER 62 1HB SER 62 -18.151 -3.559 0.970 390 2HB SER 62 2HB SER 62 -16.825 -4.617 1.492 391 HG SER 62 HG SER 62 -17.281 -3.899 3.705 392 H ALA 63 H ALA 63 -13.841 -2.230 1.411 393 HA ALA 63 HA ALA 63 -13.964 -2.409 -1.517 394 1HB ALA 63 1HB ALA 63 -12.967 -0.368 -1.072 395 2HB ALA 63 2HB ALA 63 -12.247 -0.932 0.458 396 3HB ALA 63 3HB ALA 63 -11.530 -1.419 -1.096 397 H SER 64 H SER 64 -14.067 -4.734 -1.574 398 HA SER 64 HA SER 64 -11.842 -6.092 -0.337 399 1HB SER 64 1HB SER 64 -14.142 -7.265 -1.945 400 2HB SER 64 2HB SER 64 -13.036 -8.150 -0.882 401 HG SER 64 HG SER 64 -14.134 -6.171 0.584 402 H THR 65 H THR 65 -10.261 -4.993 -1.829 403 HA THR 65 HA THR 65 -10.315 -6.192 -4.521 404 HB THR 65 HB THR 65 -8.946 -4.194 -5.152 405 HG1 THR 65 1HG THR 65 -8.704 -2.611 -3.354 406 1HG2 THR 65 1HG2 THR 65 -10.698 -2.657 -5.188 407 2HG2 THR 65 2HG2 THR 65 -11.633 -4.100 -4.725 408 3HG2 THR 65 3HG2 THR 65 -11.111 -2.940 -3.480 409 H SER 66 H SER 66 -8.630 -7.416 -5.243 410 HA SER 66 HA SER 66 -6.778 -8.179 -3.176 411 1HB SER 66 1HB SER 66 -6.159 -9.996 -4.767 412 2HB SER 66 2HB SER 66 -7.893 -9.971 -4.405 413 HG SER 66 HG SER 66 -8.350 -9.335 -6.446 414 H LEU 67 H LEU 67 -4.504 -7.913 -3.314 415 HA LEU 67 HA LEU 67 -3.462 -6.652 -5.719 416 1HB LEU 67 1HB LEU 67 -4.074 -5.233 -3.325 417 2HB LEU 67 2HB LEU 67 -2.314 -5.273 -3.531 418 HG LEU 67 HG LEU 67 -3.423 -3.265 -4.489 419 1HD1 LEU 67 1HD1 LEU 67 -1.234 -4.202 -5.313 420 2HD1 LEU 67 2HD1 LEU 67 -2.141 -4.951 -6.648 421 3HD1 LEU 67 3HD1 LEU 67 -2.117 -3.180 -6.474 422 1HD2 LEU 67 1HD2 LEU 67 -5.471 -4.644 -5.236 423 2HD2 LEU 67 2HD2 LEU 67 -4.903 -3.322 -6.285 424 3HD2 LEU 67 3HD2 LEU 67 -4.510 -5.010 -6.688 425 H THR 68 H THR 68 -0.969 -6.528 -5.552 426 HA THR 68 HA THR 68 -0.082 -8.990 -4.206 427 HB THR 68 HB THR 68 1.052 -7.502 -6.635 428 HG1 THR 68 1HG THR 68 -1.155 -8.626 -6.689 429 1HG2 THR 68 1HG2 THR 68 2.053 -9.706 -4.989 430 2HG2 THR 68 2HG2 THR 68 1.666 -10.285 -6.627 431 3HG2 THR 68 3HG2 THR 68 2.813 -8.943 -6.406 432 H VAL 69 H VAL 69 1.478 -8.957 -2.679 433 HA VAL 69 HA VAL 69 2.371 -6.322 -1.863 434 HB VAL 69 HB VAL 69 2.731 -9.039 -0.585 435 1HG1 VAL 69 1HG1 VAL 69 4.340 -7.770 0.462 436 2HG1 VAL 69 2HG1 VAL 69 3.451 -6.245 0.228 437 3HG1 VAL 69 3HG1 VAL 69 2.928 -7.396 1.481 438 1HG2 VAL 69 1HG2 VAL 69 0.355 -8.458 -0.803 439 2HG2 VAL 69 2HG2 VAL 69 0.880 -8.394 0.897 440 3HG2 VAL 69 3HG2 VAL 69 0.661 -6.888 -0.024 441 H ARG 70 H ARG 70 3.826 -5.833 -3.610 442 HA ARG 70 HA ARG 70 5.977 -7.669 -4.030 443 1HB ARG 70 1HB ARG 70 5.294 -4.935 -5.192 444 2HB ARG 70 2HB ARG 70 6.746 -5.835 -5.664 445 1HG ARG 70 1HG ARG 70 4.804 -7.756 -5.947 446 2HG ARG 70 2HG ARG 70 3.889 -6.298 -6.371 447 1HD ARG 70 1HD ARG 70 5.307 -5.802 -8.196 448 2HD ARG 70 2HD ARG 70 6.630 -6.801 -7.576 449 HE ARG 70 HE ARG 70 4.578 -8.614 -7.995 450 1HH1 ARG 70 1HH1 ARG 70 6.157 -6.206 -10.020 451 2HH1 ARG 70 2HH1 ARG 70 5.889 -7.083 -11.492 452 1HH2 ARG 70 1HH2 ARG 70 4.224 -9.770 -9.935 453 2HH2 ARG 70 2HH2 ARG 70 4.783 -9.123 -11.441 454 H ARG 71 H ARG 71 6.385 -7.247 -1.500 455 HA ARG 71 HA ARG 71 7.242 -5.059 -0.374 456 1HB ARG 71 1HB ARG 71 7.319 -7.310 0.666 457 2HB ARG 71 2HB ARG 71 8.755 -7.720 -0.287 458 1HG ARG 71 1HG ARG 71 9.817 -5.611 0.803 459 2HG ARG 71 2HG ARG 71 8.477 -5.689 1.959 460 1HD ARG 71 1HD ARG 71 10.469 -6.866 2.824 461 2HD ARG 71 2HD ARG 71 9.144 -8.012 2.565 462 HE ARG 71 HE ARG 71 10.628 -7.968 0.173 463 1HH1 ARG 71 1HH1 ARG 71 11.218 -8.785 3.545 464 2HH1 ARG 71 2HH1 ARG 71 12.445 -9.953 3.178 465 1HH2 ARG 71 1HH2 ARG 71 12.246 -9.508 -0.309 466 2HH2 ARG 71 2HH2 ARG 71 13.033 -10.367 0.972 467 H SER 72 H SER 72 8.933 -6.816 -2.975 468 HA SER 72 HA SER 72 11.158 -4.963 -2.740 469 1HB SER 72 1HB SER 72 12.358 -6.490 -4.233 470 2HB SER 72 2HB SER 72 11.695 -7.387 -2.855 471 HG SER 72 HG SER 72 10.992 -7.461 -5.608 472 H PHE 73 H PHE 73 11.346 -3.269 -4.175 473 HA PHE 73 HA PHE 73 10.708 -3.407 -6.858 474 1HB PHE 73 1HB PHE 73 8.661 -1.722 -6.542 475 2HB PHE 73 2HB PHE 73 8.363 -3.457 -6.394 476 HD1 PHE 73 1HD PHE 73 6.351 -3.009 -5.075 477 HD2 PHE 73 2HD PHE 73 10.170 -1.710 -3.753 478 HE1 PHE 73 1HE PHE 73 5.428 -2.637 -2.772 479 HE2 PHE 73 2HE PHE 73 9.245 -1.340 -1.449 480 HZ PHE 73 HZ PHE 73 6.885 -1.807 -0.985 481 H GLU 74 H GLU 74 10.343 -0.961 -7.739 482 HA GLU 74 HA GLU 74 12.444 0.509 -6.409 483 1HB GLU 74 1HB GLU 74 12.472 0.042 -8.892 484 2HB GLU 74 2HB GLU 74 11.083 1.124 -9.066 485 1HG GLU 74 1HG GLU 74 12.698 2.705 -9.387 486 2HG GLU 74 2HG GLU 74 12.769 2.723 -7.619 487 HE2 GLU 74 HE2 GLU 74 15.728 0.733 -7.696 488 H GLY 75 H GLY 75 11.745 1.817 -4.759 489 1HA GLY 75 1HA GLY 75 9.112 2.824 -4.567 490 2HA GLY 75 2HA GLY 75 10.500 3.293 -3.606 491 H PHE 76 H PHE 76 8.652 5.239 -4.315 492 HA PHE 76 HA PHE 76 10.282 6.871 -6.094 493 1HB PHE 76 1HB PHE 76 8.621 6.301 -7.662 494 2HB PHE 76 2HB PHE 76 7.439 5.905 -6.409 495 HD1 PHE 76 1HD PHE 76 8.732 8.471 -8.618 496 HD2 PHE 76 2HD PHE 76 6.134 7.723 -5.347 497 HE1 PHE 76 1HE PHE 76 7.599 10.674 -9.014 498 HE2 PHE 76 2HE PHE 76 4.999 9.927 -5.743 499 HZ PHE 76 HZ PHE 76 5.745 11.376 -7.573 500 H LEU 77 H LEU 77 10.793 8.683 -4.969 501 HA LEU 77 HA LEU 77 9.576 9.361 -2.564 502 1HB LEU 77 1HB LEU 77 11.117 11.190 -4.392 503 2HB LEU 77 2HB LEU 77 10.923 11.328 -2.635 504 HG LEU 77 HG LEU 77 12.511 9.260 -4.173 505 1HD1 LEU 77 1HD1 LEU 77 13.162 11.821 -3.096 506 2HD1 LEU 77 2HD1 LEU 77 14.011 10.575 -2.145 507 3HD1 LEU 77 3HD1 LEU 77 14.220 10.643 -3.912 508 1HD2 LEU 77 1HD2 LEU 77 13.198 8.526 -1.804 509 2HD2 LEU 77 2HD2 LEU 77 11.707 9.339 -1.270 510 3HD2 LEU 77 3HD2 LEU 77 11.618 7.991 -2.429 511 H PHE 78 H PHE 78 7.804 10.555 -2.014 512 HA PHE 78 HA PHE 78 5.792 10.996 -3.798 513 1HB PHE 78 1HB PHE 78 5.259 11.106 -1.487 514 2HB PHE 78 2HB PHE 78 6.681 12.083 -1.106 515 HD1 PHE 78 1HD PHE 78 3.725 12.503 -3.362 516 HD2 PHE 78 2HD PHE 78 6.094 14.126 -0.239 517 HE1 PHE 78 1HE PHE 78 2.285 14.560 -3.341 518 HE2 PHE 78 2HE PHE 78 4.655 16.183 -0.216 519 HZ PHE 78 HZ PHE 78 2.768 16.375 -1.768 520 H ASP 79 H ASP 79 8.644 12.994 -3.132 521 HA ASP 79 HA ASP 79 7.809 15.439 -3.878 522 1HB ASP 79 1HB ASP 79 10.054 15.178 -3.151 523 2HB ASP 79 2HB ASP 79 10.404 13.940 -4.369 524 HD2 ASP 79 HD2 ASP 79 10.206 17.586 -5.918 525 H GLY 80 H GLY 80 9.124 12.786 -6.007 526 1HA GLY 80 1HA GLY 80 7.442 12.791 -8.065 527 2HA GLY 80 2HA GLY 80 8.361 14.244 -8.409 528 H THR 81 H THR 81 10.763 12.900 -6.903 529 HA THR 81 HA THR 81 11.771 11.570 -9.289 530 HB THR 81 HB THR 81 12.983 12.707 -6.725 531 HG1 THR 81 1HG THR 81 12.842 14.322 -8.259 532 1HG2 THR 81 1HG2 THR 81 14.243 10.612 -7.525 533 2HG2 THR 81 2HG2 THR 81 14.480 11.448 -9.078 534 3HG2 THR 81 3HG2 THR 81 15.185 12.120 -7.587 535 H ARG 82 H ARG 82 12.609 9.469 -9.362 536 HA ARG 82 HA ARG 82 11.281 7.745 -7.525 537 1HB ARG 82 1HB ARG 82 12.663 7.524 -10.142 538 2HB ARG 82 2HB ARG 82 12.867 6.101 -9.104 539 1HG ARG 82 1HG ARG 82 10.280 6.283 -8.765 540 2HG ARG 82 2HG ARG 82 10.312 7.312 -10.209 541 1HD ARG 82 1HD ARG 82 11.793 4.710 -10.347 542 2HD ARG 82 2HD ARG 82 10.024 4.612 -10.323 543 HE ARG 82 HE ARG 82 11.708 5.623 -12.489 544 1HH1 ARG 82 1HH1 ARG 82 8.507 5.786 -11.039 545 2HH1 ARG 82 2HH1 ARG 82 7.731 6.300 -12.499 546 1HH2 ARG 82 1HH2 ARG 82 10.685 6.302 -14.417 547 2HH2 ARG 82 2HH2 ARG 82 8.979 6.596 -14.434 548 H TRP 83 H TRP 83 12.289 6.348 -5.987 549 HA TRP 83 HA TRP 83 15.086 7.036 -5.428 550 1HB TRP 83 1HB TRP 83 13.504 7.602 -3.676 551 2HB TRP 83 2HB TRP 83 12.930 5.935 -3.617 552 HD1 TRP 83 HD TRP 83 14.265 4.324 -2.005 553 HE1 TRP 83 1HE TRP 83 16.410 4.446 -0.472 554 HE3 TRP 83 3HE TRP 83 15.879 8.831 -3.720 555 HZ2 TRP 83 2HZ TRP 83 18.495 6.371 -0.155 556 HZ3 TRP 83 3HZ TRP 83 17.976 9.761 -2.747 557 HH2 TRP 83 HH TRP 83 19.271 8.608 -1.024 558 H GLY 84 H GLY 84 13.288 4.200 -4.209 559 1HA GLY 84 1HA GLY 84 13.711 2.216 -5.941 560 2HA GLY 84 2HA GLY 84 15.330 2.449 -5.313 561 H THR 85 H THR 85 15.881 1.686 -3.263 562 HA THR 85 HA THR 85 15.555 0.888 -1.169 563 HB THR 85 HB THR 85 12.561 0.728 -1.777 564 HG1 THR 85 1HG THR 85 12.883 2.925 -1.905 565 1HG2 THR 85 1HG2 THR 85 14.093 0.022 0.504 566 2HG2 THR 85 2HG2 THR 85 13.448 1.640 0.871 567 3HG2 THR 85 3HG2 THR 85 12.337 0.309 0.462 568 H VAL 86 H VAL 86 13.381 -0.618 -3.647 569 HA VAL 86 HA VAL 86 13.284 -2.693 -4.404 570 HB VAL 86 HB VAL 86 15.979 -2.972 -3.061 571 1HG1 VAL 86 1HG1 VAL 86 15.671 -4.754 -5.274 572 2HG1 VAL 86 2HG1 VAL 86 15.947 -5.145 -3.558 573 3HG1 VAL 86 3HG1 VAL 86 14.286 -4.986 -4.179 574 1HG2 VAL 86 1HG2 VAL 86 15.288 -1.391 -5.210 575 2HG2 VAL 86 2HG2 VAL 86 16.917 -2.024 -4.871 576 3HG2 VAL 86 3HG2 VAL 86 15.842 -2.887 -5.997 577 H ASP 87 H ASP 87 15.127 -4.269 -1.922 578 HA ASP 87 HA ASP 87 12.938 -5.704 -1.059 579 1HB ASP 87 1HB ASP 87 15.720 -5.709 -0.672 580 2HB ASP 87 2HB ASP 87 15.070 -5.480 0.958 581 HD2 ASP 87 HD2 ASP 87 14.905 -8.907 1.032 582 H CYS 88 H CYS 88 11.199 -4.602 -0.078 583 HA CYS 88 HA CYS 88 11.729 -2.397 1.678 584 1HB CYS 88 1HB CYS 88 9.850 -2.352 0.129 585 2HB CYS 88 2HB CYS 88 9.132 -3.755 0.925 586 H THR 89 H THR 89 13.110 -4.420 2.795 587 HA THR 89 HA THR 89 11.354 -5.760 4.718 588 HB THR 89 HB THR 89 13.082 -7.024 3.326 589 HG1 THR 89 1HG THR 89 13.951 -7.984 5.428 590 1HG2 THR 89 1HG2 THR 89 14.820 -4.974 3.938 591 2HG2 THR 89 2HG2 THR 89 15.201 -6.126 5.240 592 3HG2 THR 89 3HG2 THR 89 15.354 -6.623 3.538 593 H THR 90 H THR 90 13.550 -3.061 4.395 594 HA THR 90 HA THR 90 13.962 -2.929 7.274 595 HB THR 90 HB THR 90 15.000 -1.457 4.816 596 HG1 THR 90 1HG THR 90 16.978 -2.310 5.977 597 1HG2 THR 90 1HG2 THR 90 15.298 0.398 6.146 598 2HG2 THR 90 2HG2 THR 90 14.855 -0.492 7.624 599 3HG2 THR 90 3HG2 THR 90 16.516 -0.589 6.990 600 H ALA 91 H ALA 91 12.506 -0.888 4.654 601 HA ALA 91 HA ALA 91 11.239 0.735 6.684 602 1HB ALA 91 1HB ALA 91 12.169 1.858 4.756 603 2HB ALA 91 2HB ALA 91 11.280 0.790 3.643 604 3HB ALA 91 3HB ALA 91 10.395 1.964 4.645 605 H ALA 92 H ALA 92 9.033 0.767 7.166 606 HA ALA 92 HA ALA 92 7.636 -1.654 6.505 607 1HB ALA 92 1HB ALA 92 7.728 -0.266 8.745 608 2HB ALA 92 2HB ALA 92 6.432 0.684 7.979 609 3HB ALA 92 3HB ALA 92 6.214 -1.061 8.254 610 H CYS 93 H CYS 93 6.401 -1.921 4.720 611 HA CYS 93 HA CYS 93 5.667 0.450 3.236 612 1HB CYS 93 1HB CYS 93 4.761 -2.070 2.124 613 2HB CYS 93 2HB CYS 93 5.788 -0.819 1.418 614 H GLN 94 H GLN 94 3.623 1.333 3.372 615 HA GLN 94 HA GLN 94 1.670 -0.218 4.849 616 1HB GLN 94 1HB GLN 94 1.910 2.736 4.197 617 2HB GLN 94 2HB GLN 94 0.459 2.045 4.944 618 1HG GLN 94 1HG GLN 94 1.742 1.297 6.868 619 2HG GLN 94 2HG GLN 94 3.270 1.739 6.091 620 1HE2 GLN 94 1HE2 GLN 94 3.918 3.162 7.631 621 2HE2 GLN 94 2HE2 GLN 94 3.159 4.689 7.943 622 H VAL 95 H VAL 95 0.212 -1.374 3.669 623 HA VAL 95 HA VAL 95 -0.251 -0.604 0.916 624 HB VAL 95 HB VAL 95 -1.418 -2.932 2.438 625 1HG1 VAL 95 1HG1 VAL 95 -1.107 -3.893 0.000 626 2HG1 VAL 95 2HG1 VAL 95 -2.513 -2.879 0.409 627 3HG1 VAL 95 3HG1 VAL 95 -1.124 -2.170 -0.449 628 1HG2 VAL 95 1HG2 VAL 95 0.651 -3.733 2.727 629 2HG2 VAL 95 2HG2 VAL 95 0.749 -3.892 0.958 630 3HG2 VAL 95 3HG2 VAL 95 1.369 -2.427 1.754 631 H GLY 96 H GLY 96 -1.673 1.047 0.616 632 1HA GLY 96 1HA GLY 96 -4.356 0.721 1.686 633 2HA GLY 96 2HA GLY 96 -3.484 2.134 2.245 634 H LEU 97 H LEU 97 -5.637 2.882 0.948 635 HA LEU 97 HA LEU 97 -4.863 3.260 -1.855 636 1HB LEU 97 1HB LEU 97 -7.430 4.095 -1.700 637 2HB LEU 97 2HB LEU 97 -6.910 2.468 -2.178 638 HG LEU 97 HG LEU 97 -8.769 2.422 -0.589 639 1HD1 LEU 97 1HD1 LEU 97 -6.832 1.336 1.257 640 2HD1 LEU 97 2HD1 LEU 97 -7.981 0.497 0.187 641 3HD1 LEU 97 3HD1 LEU 97 -6.377 0.963 -0.424 642 1HD2 LEU 97 1HD2 LEU 97 -8.926 3.790 1.150 643 2HD2 LEU 97 2HD2 LEU 97 -7.403 3.168 1.829 644 3HD2 LEU 97 3HD2 LEU 97 -7.375 4.524 0.676 645 H SER 98 H SER 98 -4.789 5.354 -2.754 646 HA SER 98 HA SER 98 -4.314 7.364 -0.761 647 1HB SER 98 1HB SER 98 -3.070 8.458 -2.363 648 2HB SER 98 2HB SER 98 -2.965 6.806 -2.998 649 HG SER 98 HG SER 98 -4.738 7.328 -4.436 650 H ASP 99 H ASP 99 -5.555 9.260 -0.476 651 HA ASP 99 HA ASP 99 -8.221 9.067 -1.375 652 1HB ASP 99 1HB ASP 99 -7.178 11.641 -0.262 653 2HB ASP 99 2HB ASP 99 -8.651 10.756 0.163 654 HD2 ASP 99 HD2 ASP 99 -6.331 8.635 2.145 655 H ALA 100 H ALA 100 -9.338 10.957 -2.546 656 HA ALA 100 HA ALA 100 -7.684 11.785 -4.767 657 1HB ALA 100 1HB ALA 100 -10.544 12.615 -4.484 658 2HB ALA 100 2HB ALA 100 -9.668 11.997 -5.906 659 3HB ALA 100 3HB ALA 100 -10.211 10.875 -4.636 660 H ALA 101 H ALA 101 -7.877 12.873 -1.717 661 HA ALA 101 HA ALA 101 -8.325 15.675 -2.348 662 1HB ALA 101 1HB ALA 101 -7.802 15.796 0.213 663 2HB ALA 101 2HB ALA 101 -9.340 15.078 -0.322 664 3HB ALA 101 3HB ALA 101 -7.988 14.028 0.163 665 H GLY 102 H GLY 102 -5.742 13.317 -1.676 666 1HA GLY 102 1HA GLY 102 -3.606 13.883 -2.718 667 2HA GLY 102 2HA GLY 102 -3.773 15.495 -2.047 668 H ASN 103 H ASN 103 -4.594 12.371 -0.434 669 HA ASN 103 HA ASN 103 -2.227 12.616 1.182 670 1HB ASN 103 1HB ASN 103 -5.066 12.676 2.309 671 2HB ASN 103 2HB ASN 103 -3.635 12.373 3.304 672 1HD2 ASN 103 1HD2 ASN 103 -5.792 14.614 2.635 673 2HD2 ASN 103 2HD2 ASN 103 -4.871 16.078 2.734 674 H GLY 104 H GLY 104 -1.858 10.557 2.442 675 1HA GLY 104 1HA GLY 104 -3.571 8.319 1.555 676 2HA GLY 104 2HA GLY 104 -1.827 8.247 1.407 677 HA PRO 105 HA PRO 105 -2.680 8.323 6.059 678 1HB PRO 105 1HB PRO 105 -5.219 8.669 7.004 679 2HB PRO 105 2HB PRO 105 -4.068 9.991 6.829 680 1HG PRO 105 1HG PRO 105 -6.379 9.258 5.149 681 2HG PRO 105 2HG PRO 105 -5.523 10.838 5.253 682 1HD PRO 105 1HD PRO 105 -5.363 8.859 3.190 683 2HD PRO 105 2HD PRO 105 -4.382 10.323 3.325 684 H GLU 106 H GLU 106 -4.902 6.756 3.980 685 HA GLU 106 HA GLU 106 -5.335 4.653 5.872 686 1HB GLU 106 1HB GLU 106 -6.770 5.655 3.739 687 2HB GLU 106 2HB GLU 106 -6.104 4.163 3.056 688 1HG GLU 106 1HG GLU 106 -7.643 4.383 5.678 689 2HG GLU 106 2HG GLU 106 -8.326 3.811 4.150 690 HE2 GLU 106 HE2 GLU 106 -6.141 0.929 4.368 691 H GLY 107 H GLY 107 -4.505 2.510 5.732 692 1HA GLY 107 1HA GLY 107 -3.269 1.109 3.912 693 2HA GLY 107 2HA GLY 107 -2.026 2.314 4.179 694 H VAL 108 H VAL 108 -2.449 -0.737 4.861 695 HA VAL 108 HA VAL 108 -1.871 -0.524 7.727 696 HB VAL 108 HB VAL 108 -3.754 -1.996 6.611 697 1HG1 VAL 108 1HG1 VAL 108 -2.100 -3.131 5.087 698 2HG1 VAL 108 2HG1 VAL 108 -1.408 -3.916 6.526 699 3HG1 VAL 108 3HG1 VAL 108 -3.097 -4.235 6.063 700 1HG2 VAL 108 1HG2 VAL 108 -2.727 -3.791 8.519 701 2HG2 VAL 108 2HG2 VAL 108 -2.165 -2.179 9.024 702 3HG2 VAL 108 3HG2 VAL 108 -3.902 -2.481 8.784 703 H ALA 109 H ALA 109 0.208 -0.712 8.369 704 HA ALA 109 HA ALA 109 2.274 -1.078 6.530 705 1HB ALA 109 1HB ALA 109 2.996 0.059 8.385 706 2HB ALA 109 2HB ALA 109 1.953 -0.868 9.491 707 3HB ALA 109 3HB ALA 109 3.472 -1.578 8.898 708 H ILE 110 H ILE 110 2.090 -2.969 5.297 709 HA ILE 110 HA ILE 110 1.837 -5.478 6.735 710 HB ILE 110 HB ILE 110 0.677 -4.671 4.493 711 1HG1 ILE 110 1HG1 ILE 110 0.448 -7.095 3.881 712 2HG1 ILE 110 2HG1 ILE 110 1.624 -7.471 5.154 713 1HG2 ILE 110 1HG2 ILE 110 3.156 -6.076 3.462 714 2HG2 ILE 110 2HG2 ILE 110 1.763 -5.512 2.509 715 3HG2 ILE 110 3HG2 ILE 110 2.826 -4.333 3.312 716 1HD1 ILE 110 1HD1 ILE 110 -0.933 -5.881 5.638 717 2HD1 ILE 110 2HD1 ILE 110 -0.822 -7.646 5.844 718 3HD1 ILE 110 3HD1 ILE 110 0.163 -6.569 6.863 719 H SER 111 H SER 111 3.378 -7.259 6.333 720 HA SER 111 HA SER 111 5.615 -7.346 5.043 721 1HB SER 111 1HB SER 111 5.879 -5.196 7.074 722 2HB SER 111 2HB SER 111 7.236 -6.335 7.018 723 HG SER 111 HG SER 111 7.908 -5.204 5.336 724 H PHE 112 H PHE 112 5.061 -7.060 8.638 725 HA PHE 112 HA PHE 112 5.444 -9.953 8.804 726 1HB PHE 112 1HB PHE 112 6.653 -9.136 11.081 727 2HB PHE 112 2HB PHE 112 7.570 -9.248 9.578 728 HD1 PHE 112 1HD PHE 112 8.548 -7.327 8.629 729 HD2 PHE 112 2HD PHE 112 5.746 -6.900 11.787 730 HE1 PHE 112 1HE PHE 112 9.140 -4.895 8.826 731 HE2 PHE 112 2HE PHE 112 6.338 -4.469 11.984 732 HZ PHE 112 HZ PHE 112 8.027 -3.495 10.501 733 H ASN 113 H ASN 113 4.208 -10.981 10.414 734 HA ASN 113 HA ASN 113 1.949 -9.538 11.231 735 1HB ASN 113 1HB ASN 113 1.939 -11.984 10.748 736 2HB ASN 113 2HB ASN 113 2.991 -12.273 12.144 737 1HD2 ASN 113 1HD2 ASN 113 1.843 -13.246 13.631 738 2HD2 ASN 113 2HD2 ASN 113 0.276 -12.787 14.209 739 6H NCZ 130 6H NCZ 130 1.492 14.058 -0.436 740 6H1 NCZ 130 6H1 NCZ 130 -0.363 11.815 -0.515 741 5H1 NCZ 130 5H1 NCZ 130 -0.348 13.154 1.766 742 4H1 NCZ 130 4H1 NCZ 130 2.060 12.432 2.894 743 5H NCZ 130 5H NCZ 130 4.228 11.867 0.036 744 3H1 NCZ 130 3H1 NCZ 130 2.888 10.622 1.484 745 2H1 NCZ 130 2H1 NCZ 130 2.033 11.550 -1.046 746 2H NCZ 130 2H NCZ 130 0.305 8.536 -4.007 747 8H NCZ 130 8H NCZ 130 -0.716 5.508 -3.677 748 7H NCZ 130 7H NCZ 130 -1.458 4.411 -1.590 749 3H NCZ 130 3H NCZ 130 -0.649 5.145 2.983 750 1H17 NCZ 130 1H17 NCZ 130 1.612 8.579 4.783 751 2H17 NCZ 130 2H17 NCZ 130 2.246 8.736 3.127 752 3H17 NCZ 130 3H17 NCZ 130 0.582 9.244 3.493 753 1H18 NCZ 130 1H18 NCZ 130 -1.517 3.404 -0.067 754 2H18 NCZ 130 2H18 NCZ 130 -1.394 3.331 1.707 755 3H18 NCZ 130 3H18 NCZ 130 -2.688 4.284 0.942 756 1H NCZ 130 1H NCZ 130 1.494 8.260 1.067 Start of MODEL 14 1 H ALA 1 H ALA 1 -15.486 -5.265 13.171 2 HA ALA 1 HA ALA 1 -13.261 -6.140 13.405 3 1HB ALA 1 1HB ALA 1 -13.693 -8.438 12.639 4 2HB ALA 1 2HB ALA 1 -15.163 -7.729 13.346 5 3HB ALA 1 3HB ALA 1 -14.997 -7.853 11.579 6 H ALA 2 H ALA 2 -13.193 -4.100 11.245 7 HA ALA 2 HA ALA 2 -10.902 -5.116 9.895 8 1HB ALA 2 1HB ALA 2 -12.314 -6.158 8.345 9 2HB ALA 2 2HB ALA 2 -13.546 -4.876 8.453 10 3HB ALA 2 3HB ALA 2 -12.018 -4.573 7.590 11 HA PRO 3 HA PRO 3 -10.744 -0.735 10.547 12 1HB PRO 3 1HB PRO 3 -8.048 -0.596 10.955 13 2HB PRO 3 2HB PRO 3 -9.207 -0.858 12.257 14 1HG PRO 3 1HG PRO 3 -7.409 -2.767 10.904 15 2HG PRO 3 2HG PRO 3 -8.210 -2.923 12.510 16 1HD PRO 3 1HD PRO 3 -8.898 -4.207 10.045 17 2HD PRO 3 2HD PRO 3 -9.814 -4.268 11.556 18 H THR 4 H THR 4 -11.465 -0.228 8.461 19 HA THR 4 HA THR 4 -11.209 0.432 6.350 20 HB THR 4 HB THR 4 -9.673 2.186 6.160 21 HG1 THR 4 1HG THR 4 -7.467 1.769 6.651 22 1HG2 THR 4 1HG2 THR 4 -10.613 2.175 8.606 23 2HG2 THR 4 2HG2 THR 4 -9.017 1.532 9.064 24 3HG2 THR 4 3HG2 THR 4 -9.145 3.134 8.299 25 H ALA 5 H ALA 5 -8.866 0.542 4.661 26 HA ALA 5 HA ALA 5 -8.978 -2.049 3.631 27 1HB ALA 5 1HB ALA 5 -7.394 -1.240 2.028 28 2HB ALA 5 2HB ALA 5 -8.422 0.148 2.453 29 3HB ALA 5 3HB ALA 5 -6.789 0.002 3.149 30 H THR 6 H THR 6 -7.863 -3.899 4.074 31 HA THR 6 HA THR 6 -5.282 -3.725 5.374 32 HB THR 6 HB THR 6 -6.301 -5.439 7.139 33 HG1 THR 6 1HG THR 6 -8.438 -5.561 6.404 34 1HG2 THR 6 1HG2 THR 6 -6.266 -3.711 8.657 35 2HG2 THR 6 2HG2 THR 6 -5.755 -2.707 7.279 36 3HG2 THR 6 3HG2 THR 6 -7.474 -2.779 7.739 37 H VAL 7 H VAL 7 -4.009 -5.582 5.113 38 HA VAL 7 HA VAL 7 -4.780 -7.141 2.853 39 HB VAL 7 HB VAL 7 -2.394 -6.883 4.638 40 1HG1 VAL 7 1HG1 VAL 7 -1.265 -8.739 3.563 41 2HG1 VAL 7 2HG1 VAL 7 -2.756 -9.327 4.337 42 3HG1 VAL 7 3HG1 VAL 7 -2.702 -9.090 2.574 43 1HG2 VAL 7 1HG2 VAL 7 -1.262 -6.435 2.494 44 2HG2 VAL 7 2HG2 VAL 7 -2.790 -6.728 1.630 45 3HG2 VAL 7 3HG2 VAL 7 -2.650 -5.350 2.748 46 H THR 8 H THR 8 -5.918 -9.008 2.846 47 HA THR 8 HA THR 8 -7.264 -10.101 4.844 48 HB THR 8 HB THR 8 -5.968 -11.161 2.350 49 HG1 THR 8 1HG THR 8 -8.598 -11.246 3.655 50 1HG2 THR 8 1HG2 THR 8 -7.536 -12.990 4.230 51 2HG2 THR 8 2HG2 THR 8 -6.724 -13.427 2.707 52 3HG2 THR 8 3HG2 THR 8 -5.758 -13.028 4.147 53 HA PRO 9 HA PRO 9 -3.825 -12.775 6.507 54 1HB PRO 9 1HB PRO 9 -1.417 -12.990 5.235 55 2HB PRO 9 2HB PRO 9 -2.748 -14.117 4.976 56 1HG PRO 9 1HG PRO 9 -1.772 -11.911 3.279 57 2HG PRO 9 2HG PRO 9 -2.781 -13.326 2.810 58 1HD PRO 9 1HD PRO 9 -3.595 -10.607 3.195 59 2HD PRO 9 2HD PRO 9 -4.652 -11.992 2.892 60 H SER 10 H SER 10 -1.064 -12.542 7.025 61 HA SER 10 HA SER 10 -0.892 -9.722 7.685 62 1HB SER 10 1HB SER 10 -0.393 -11.999 9.641 63 2HB SER 10 2HB SER 10 -0.118 -10.282 9.981 64 HG SER 10 HG SER 10 -2.160 -10.964 10.822 65 H SER 11 H SER 11 0.729 -12.967 7.681 66 HA SER 11 HA SER 11 3.308 -11.858 7.701 67 1HB SER 11 1HB SER 11 4.082 -14.104 7.407 68 2HB SER 11 2HB SER 11 2.639 -14.206 8.430 69 HG SER 11 HG SER 11 2.892 -15.753 6.521 70 H GLY 12 H GLY 12 2.351 -10.273 5.836 71 1HA GLY 12 1HA GLY 12 2.107 -11.145 3.211 72 2HA GLY 12 2HA GLY 12 2.596 -9.543 3.728 73 H LEU 13 H LEU 13 4.891 -11.180 5.281 74 HA LEU 13 HA LEU 13 6.926 -10.548 3.527 75 1HB LEU 13 1HB LEU 13 8.246 -12.163 4.985 76 2HB LEU 13 2HB LEU 13 7.516 -10.740 5.746 77 HG LEU 13 HG LEU 13 5.631 -12.841 5.957 78 1HD1 LEU 13 1HD1 LEU 13 6.862 -14.707 5.870 79 2HD1 LEU 13 2HD1 LEU 13 8.398 -13.821 6.038 80 3HD1 LEU 13 3HD1 LEU 13 7.440 -14.224 7.484 81 1HD2 LEU 13 1HD2 LEU 13 5.444 -11.675 7.839 82 2HD2 LEU 13 2HD2 LEU 13 6.877 -12.540 8.445 83 3HD2 LEU 13 3HD2 LEU 13 7.065 -10.967 7.634 84 H SER 14 H SER 14 5.962 -11.347 1.461 85 HA SER 14 HA SER 14 7.054 -13.948 0.944 86 1HB SER 14 1HB SER 14 4.426 -13.926 1.582 87 2HB SER 14 2HB SER 14 4.293 -13.572 -0.150 88 HG SER 14 HG SER 14 5.496 -15.863 1.133 89 H ASP 15 H ASP 15 8.164 -13.812 -0.979 90 HA ASP 15 HA ASP 15 8.607 -11.655 -2.368 91 1HB ASP 15 1HB ASP 15 9.013 -13.098 -4.381 92 2HB ASP 15 2HB ASP 15 9.704 -13.767 -2.895 93 HD2 ASP 15 HD2 ASP 15 6.945 -16.170 -2.963 94 H GLY 16 H GLY 16 6.815 -10.209 -2.696 95 1HA GLY 16 1HA GLY 16 4.959 -9.367 -3.643 96 2HA GLY 16 2HA GLY 16 5.367 -10.352 -5.034 97 H THR 17 H THR 17 3.922 -10.702 -1.714 98 HA THR 17 HA THR 17 2.451 -13.031 -2.494 99 HB THR 17 HB THR 17 3.346 -11.836 -0.112 100 HG1 THR 17 1HG THR 17 1.951 -13.723 0.684 101 1HG2 THR 17 1HG2 THR 17 1.381 -11.452 1.241 102 2HG2 THR 17 2HG2 THR 17 1.159 -10.445 -0.209 103 3HG2 THR 17 3HG2 THR 17 0.297 -11.994 -0.065 104 H VAL 18 H VAL 18 0.476 -13.218 -3.369 105 HA VAL 18 HA VAL 18 -0.901 -10.721 -3.957 106 HB VAL 18 HB VAL 18 -1.908 -13.332 -4.934 107 1HG1 VAL 18 1HG1 VAL 18 -1.775 -10.503 -5.793 108 2HG1 VAL 18 2HG1 VAL 18 -1.585 -11.702 -7.097 109 3HG1 VAL 18 3HG1 VAL 18 -3.034 -11.732 -6.065 110 1HG2 VAL 18 1HG2 VAL 18 0.304 -13.966 -5.258 111 2HG2 VAL 18 2HG2 VAL 18 -0.080 -13.154 -6.795 112 3HG2 VAL 18 3HG2 VAL 18 0.853 -12.296 -5.544 113 H VAL 19 H VAL 19 -2.500 -10.010 -2.654 114 HA VAL 19 HA VAL 19 -4.247 -12.000 -1.444 115 HB VAL 19 HB VAL 19 -4.077 -10.527 0.690 116 1HG1 VAL 19 1HG1 VAL 19 -2.347 -12.765 -0.249 117 2HG1 VAL 19 2HG1 VAL 19 -1.878 -11.954 1.263 118 3HG1 VAL 19 3HG1 VAL 19 -3.491 -12.688 1.111 119 1HG2 VAL 19 1HG2 VAL 19 -1.659 -9.781 1.038 120 2HG2 VAL 19 2HG2 VAL 19 -1.481 -9.887 -0.730 121 3HG2 VAL 19 3HG2 VAL 19 -2.664 -8.762 -0.019 122 H LYS 20 H LYS 20 -5.967 -10.450 -0.052 123 HA LYS 20 HA LYS 20 -6.750 -8.393 -1.996 124 1HB LYS 20 1HB LYS 20 -8.559 -10.213 -0.395 125 2HB LYS 20 2HB LYS 20 -9.075 -8.978 -1.556 126 1HG LYS 20 1HG LYS 20 -7.642 -10.244 -3.281 127 2HG LYS 20 2HG LYS 20 -7.556 -11.561 -2.099 128 1HD LYS 20 1HD LYS 20 -9.952 -11.842 -2.134 129 2HD LYS 20 2HD LYS 20 -10.185 -10.349 -3.061 130 1HE LYS 20 1HE LYS 20 -9.669 -11.363 -5.046 131 2HE LYS 20 2HE LYS 20 -8.383 -12.349 -4.337 132 1HZ LYS 20 1HZ LYS 20 -10.889 -13.164 -5.005 133 2HZ LYS 20 2HZ LYS 20 -9.796 -14.013 -4.141 134 3HZ LYS 20 3HZ LYS 20 -10.918 -13.105 -3.375 135 H VAL 21 H VAL 21 -6.992 -6.359 -1.212 136 HA VAL 21 HA VAL 21 -6.747 -6.069 1.686 137 HB VAL 21 HB VAL 21 -6.064 -4.415 -0.705 138 1HG1 VAL 21 1HG1 VAL 21 -7.114 -2.643 0.262 139 2HG1 VAL 21 2HG1 VAL 21 -7.075 -3.363 1.889 140 3HG1 VAL 21 3HG1 VAL 21 -5.616 -2.592 1.223 141 1HG2 VAL 21 1HG2 VAL 21 -4.577 -5.971 0.942 142 2HG2 VAL 21 2HG2 VAL 21 -3.936 -4.561 0.066 143 3HG2 VAL 21 3HG2 VAL 21 -4.426 -4.403 1.770 144 H ALA 22 H ALA 22 -8.817 -6.353 2.502 145 HA ALA 22 HA ALA 22 -11.004 -4.983 1.181 146 1HB ALA 22 1HB ALA 22 -12.116 -6.761 1.979 147 2HB ALA 22 2HB ALA 22 -10.652 -7.313 2.826 148 3HB ALA 22 3HB ALA 22 -11.787 -6.207 3.638 149 H GLY 23 H GLY 23 -12.000 -3.131 1.930 150 1HA GLY 23 1HA GLY 23 -10.824 -1.946 4.376 151 2HA GLY 23 2HA GLY 23 -11.297 -1.034 2.957 152 H ALA 24 H ALA 24 -12.248 -1.815 6.047 153 HA ALA 24 HA ALA 24 -15.100 -1.846 5.380 154 1HB ALA 24 1HB ALA 24 -15.332 -3.209 7.161 155 2HB ALA 24 2HB ALA 24 -13.556 -3.324 7.188 156 3HB ALA 24 3HB ALA 24 -14.385 -2.120 8.204 157 H GLY 25 H GLY 25 -15.594 0.301 4.928 158 1HA GLY 25 1HA GLY 25 -16.478 2.247 5.910 159 2HA GLY 25 2HA GLY 25 -15.303 2.137 7.205 160 H LEU 26 H LEU 26 -14.169 1.468 3.939 161 HA LEU 26 HA LEU 26 -12.472 3.790 4.087 162 1HB LEU 26 1HB LEU 26 -12.063 1.295 3.249 163 2HB LEU 26 2HB LEU 26 -12.509 2.031 1.699 164 HG LEU 26 HG LEU 26 -10.199 2.190 1.723 165 1HD1 LEU 26 1HD1 LEU 26 -9.725 4.675 2.498 166 2HD1 LEU 26 2HD1 LEU 26 -10.720 4.314 1.066 167 3HD1 LEU 26 3HD1 LEU 26 -11.500 4.726 2.614 168 1HD2 LEU 26 1HD2 LEU 26 -8.861 2.107 3.520 169 2HD2 LEU 26 2HD2 LEU 26 -9.755 3.387 4.377 170 3HD2 LEU 26 3HD2 LEU 26 -10.355 1.710 4.402 171 H GLN 27 H GLN 27 -12.562 3.730 0.950 172 HA GLN 27 HA GLN 27 -13.954 6.038 0.639 173 1HB GLN 27 1HB GLN 27 -13.126 3.847 -1.261 174 2HB GLN 27 2HB GLN 27 -14.058 5.226 -1.868 175 1HG GLN 27 1HG GLN 27 -11.292 5.160 -0.652 176 2HG GLN 27 2HG GLN 27 -11.813 5.907 -2.171 177 1HE2 GLN 27 1HE2 GLN 27 -11.351 6.240 1.207 178 2HE2 GLN 27 2HE2 GLN 27 -11.856 7.887 1.395 179 H ALA 28 H ALA 28 -16.016 6.001 1.662 180 HA ALA 28 HA ALA 28 -17.917 4.010 1.281 181 1HB ALA 28 1HB ALA 28 -18.265 6.973 1.898 182 2HB ALA 28 2HB ALA 28 -19.484 5.706 2.166 183 3HB ALA 28 3HB ALA 28 -17.964 5.686 3.090 184 H GLY 29 H GLY 29 -17.862 3.443 -0.985 185 1HA GLY 29 1HA GLY 29 -18.940 3.461 -2.982 186 2HA GLY 29 2HA GLY 29 -19.750 4.951 -2.539 187 H THR 30 H THR 30 -16.433 5.341 -1.918 188 HA THR 30 HA THR 30 -16.147 6.903 -4.363 189 HB THR 30 HB THR 30 -13.915 7.045 -2.498 190 HG1 THR 30 1HG THR 30 -16.686 7.285 -1.551 191 1HG2 THR 30 1HG2 THR 30 -15.884 9.198 -2.246 192 2HG2 THR 30 2HG2 THR 30 -14.234 9.270 -2.911 193 3HG2 THR 30 3HG2 THR 30 -15.596 8.818 -3.961 194 H ALA 31 H ALA 31 -13.509 6.948 -4.894 195 HA ALA 31 HA ALA 31 -12.697 4.159 -5.196 196 1HB ALA 31 1HB ALA 31 -12.351 5.887 -7.592 197 2HB ALA 31 2HB ALA 31 -12.771 4.162 -7.475 198 3HB ALA 31 3HB ALA 31 -14.023 5.400 -7.226 199 H TYR 32 H TYR 32 -10.713 4.054 -4.280 200 HA TYR 32 HA TYR 32 -8.973 6.403 -4.623 201 1HB TYR 32 1HB TYR 32 -9.664 4.456 -2.405 202 2HB TYR 32 2HB TYR 32 -7.990 5.017 -2.460 203 HD1 TYR 32 1HD TYR 32 -10.488 7.360 -3.650 204 HD2 TYR 32 2HD TYR 32 -8.443 5.961 -0.162 205 HE1 TYR 32 1HE TYR 32 -11.165 9.466 -2.397 206 HE2 TYR 32 2HE TYR 32 -9.129 8.070 1.078 207 HH TYR 32 HH TYR 32 -10.051 10.762 -0.321 208 H ASP 33 H ASP 33 -6.572 5.828 -4.496 209 HA ASP 33 HA ASP 33 -6.187 3.588 -6.254 210 1HB ASP 33 1HB ASP 33 -4.478 5.893 -5.281 211 2HB ASP 33 2HB ASP 33 -3.732 4.530 -6.132 212 HD2 ASP 33 HD2 ASP 33 -5.107 7.364 -8.275 213 H VAL 34 H VAL 34 -5.302 1.626 -5.535 214 HA VAL 34 HA VAL 34 -4.421 1.549 -2.749 215 HB VAL 34 HB VAL 34 -6.050 -0.105 -4.420 216 1HG1 VAL 34 1HG1 VAL 34 -3.760 -1.621 -3.134 217 2HG1 VAL 34 2HG1 VAL 34 -5.106 -2.287 -4.088 218 3HG1 VAL 34 3HG1 VAL 34 -3.872 -1.274 -4.874 219 1HG2 VAL 34 1HG2 VAL 34 -5.746 0.588 -1.703 220 2HG2 VAL 34 2HG2 VAL 34 -7.041 -0.385 -2.441 221 3HG2 VAL 34 3HG2 VAL 34 -5.595 -1.185 -1.778 222 H GLY 35 H GLY 35 -2.352 0.901 -2.173 223 1HA GLY 35 1HA GLY 35 -0.566 -0.519 -3.741 224 2HA GLY 35 2HA GLY 35 -0.318 1.170 -4.134 225 H GLN 36 H GLN 36 0.895 -1.221 -2.250 226 HA GLN 36 HA GLN 36 0.980 -0.218 0.293 227 1HB GLN 36 1HB GLN 36 3.352 -1.456 0.208 228 2HB GLN 36 2HB GLN 36 1.830 -2.364 0.190 229 1HG GLN 36 1HG GLN 36 2.240 -3.146 -1.890 230 2HG GLN 36 2HG GLN 36 2.603 -1.529 -2.509 231 1HE2 GLN 36 1HE2 GLN 36 4.303 -2.239 -3.747 232 2HE2 GLN 36 2HE2 GLN 36 5.829 -2.738 -3.094 233 H CYS 37 H CYS 37 1.396 1.959 0.634 234 HA CYS 37 HA CYS 37 3.818 3.013 -0.617 235 1HB CYS 37 1HB CYS 37 1.477 4.090 -0.896 236 2HB CYS 37 2HB CYS 37 1.739 4.705 0.738 237 H ALA 38 H ALA 38 5.193 4.434 0.817 238 HA ALA 38 HA ALA 38 4.852 4.630 3.553 239 1HB ALA 38 1HB ALA 38 6.083 2.064 2.605 240 2HB ALA 38 2HB ALA 38 6.789 2.853 4.035 241 3HB ALA 38 3HB ALA 38 5.072 2.384 4.033 242 H TRP 39 H TRP 39 7.001 5.287 4.635 243 HA TRP 39 HA TRP 39 8.304 7.095 2.872 244 1HB TRP 39 1HB TRP 39 9.654 7.635 4.873 245 2HB TRP 39 2HB TRP 39 7.911 7.779 5.110 246 HD1 TRP 39 HD TRP 39 10.890 5.552 6.169 247 HE1 TRP 39 1HE TRP 39 10.303 4.142 8.321 248 HE3 TRP 39 3HE TRP 39 5.978 6.858 6.325 249 HZ2 TRP 39 2HZ TRP 39 7.904 3.740 9.813 250 HZ3 TRP 39 3HZ TRP 39 4.584 5.913 8.163 251 HH2 TRP 39 HH TRP 39 5.472 4.404 9.869 252 H VAL 40 H VAL 40 9.788 6.408 1.387 253 HA VAL 40 HA VAL 40 11.368 4.044 2.050 254 HB VAL 40 HB VAL 40 9.956 4.493 -0.122 255 1HG1 VAL 40 1HG1 VAL 40 12.581 5.890 -0.735 256 2HG1 VAL 40 2HG1 VAL 40 11.396 5.375 -1.961 257 3HG1 VAL 40 3HG1 VAL 40 10.951 6.605 -0.754 258 1HG2 VAL 40 1HG2 VAL 40 12.214 3.335 -1.275 259 2HG2 VAL 40 2HG2 VAL 40 12.372 2.966 0.461 260 3HG2 VAL 40 3HG2 VAL 40 10.901 2.488 -0.420 261 H ASP 41 H ASP 41 11.657 7.474 0.939 262 HA ASP 41 HA ASP 41 14.495 7.331 1.210 263 1HB ASP 41 1HB ASP 41 12.766 8.867 -0.283 264 2HB ASP 41 2HB ASP 41 13.178 9.999 1.016 265 HD2 ASP 41 HD2 ASP 41 16.653 9.286 -0.288 266 H THR 42 H THR 42 14.875 10.064 2.255 267 HA THR 42 HA THR 42 14.797 9.508 5.032 268 HB THR 42 HB THR 42 15.502 11.911 3.289 269 HG1 THR 42 1HG THR 42 17.279 10.588 3.344 270 1HG2 THR 42 1HG2 THR 42 16.668 12.076 5.911 271 2HG2 THR 42 2HG2 THR 42 15.572 13.247 5.139 272 3HG2 THR 42 3HG2 THR 42 14.910 11.928 6.131 273 H GLY 43 H GLY 43 12.534 8.983 5.376 274 1HA GLY 43 1HA GLY 43 10.536 9.532 6.255 275 2HA GLY 43 2HA GLY 43 11.111 11.176 6.451 276 H VAL 44 H VAL 44 11.293 9.761 3.227 277 HA VAL 44 HA VAL 44 9.180 11.596 2.395 278 HB VAL 44 HB VAL 44 11.175 10.088 0.703 279 1HG1 VAL 44 1HG1 VAL 44 8.945 11.822 0.125 280 2HG1 VAL 44 2HG1 VAL 44 10.459 12.576 -0.433 281 3HG1 VAL 44 3HG1 VAL 44 10.016 10.947 -0.997 282 1HG2 VAL 44 1HG2 VAL 44 12.434 11.433 2.281 283 2HG2 VAL 44 2HG2 VAL 44 12.494 12.198 0.675 284 3HG2 VAL 44 3HG2 VAL 44 11.420 12.853 1.933 285 H LEU 45 H LEU 45 7.170 10.735 2.318 286 HA LEU 45 HA LEU 45 6.714 7.970 2.293 287 1HB LEU 45 1HB LEU 45 5.200 10.436 2.362 288 2HB LEU 45 2HB LEU 45 4.390 9.194 1.392 289 HG LEU 45 HG LEU 45 5.393 8.195 3.958 290 1HD1 LEU 45 1HD1 LEU 45 3.246 10.335 4.019 291 2HD1 LEU 45 2HD1 LEU 45 3.783 9.326 5.385 292 3HD1 LEU 45 3HD1 LEU 45 4.901 10.502 4.653 293 1HD2 LEU 45 1HD2 LEU 45 3.102 7.873 2.156 294 2HD2 LEU 45 2HD2 LEU 45 3.903 6.697 3.226 295 3HD2 LEU 45 3HD2 LEU 45 2.674 7.804 3.881 296 H ALA 46 H ALA 46 7.663 6.838 0.615 297 HA ALA 46 HA ALA 46 6.948 7.735 -2.089 298 1HB ALA 46 1HB ALA 46 8.903 6.476 -2.825 299 2HB ALA 46 2HB ALA 46 9.377 7.593 -1.525 300 3HB ALA 46 3HB ALA 46 9.166 5.861 -1.175 301 H CYS 47 H CYS 47 5.866 6.332 -3.490 302 HA CYS 47 HA CYS 47 4.695 4.030 -2.150 303 1HB CYS 47 1HB CYS 47 3.924 5.343 -4.757 304 2HB CYS 47 2HB CYS 47 3.042 4.054 -3.932 305 H ASN 48 H ASN 48 4.587 1.943 -3.369 306 HA ASN 48 HA ASN 48 7.089 1.444 -4.601 307 1HB ASN 48 1HB ASN 48 4.691 -0.163 -3.754 308 2HB ASN 48 2HB ASN 48 5.765 -0.898 -4.952 309 1HD2 ASN 48 1HD2 ASN 48 6.492 1.330 -2.293 310 2HD2 ASN 48 2HD2 ASN 48 7.544 0.283 -1.398 311 HA PRO 49 HA PRO 49 5.677 1.427 -8.759 312 1HB PRO 49 1HB PRO 49 6.877 -0.740 -9.909 313 2HB PRO 49 2HB PRO 49 7.718 0.778 -9.604 314 1HG PRO 49 1HG PRO 49 7.846 -1.785 -8.146 315 2HG PRO 49 2HG PRO 49 9.027 -0.427 -8.140 316 1HD PRO 49 1HD PRO 49 7.133 -1.145 -6.117 317 2HD PRO 49 2HD PRO 49 8.164 0.290 -6.134 318 H ALA 50 H ALA 50 4.874 -1.228 -6.821 319 HA ALA 50 HA ALA 50 2.861 -2.040 -8.796 320 1HB ALA 50 1HB ALA 50 4.243 -3.885 -8.170 321 2HB ALA 50 2HB ALA 50 4.173 -3.447 -6.446 322 3HB ALA 50 3HB ALA 50 2.725 -4.084 -7.263 323 H ASP 51 H ASP 51 3.029 0.323 -6.719 324 HA ASP 51 HA ASP 51 0.863 -0.400 -4.985 325 1HB ASP 51 1HB ASP 51 1.927 1.130 -3.718 326 2HB ASP 51 2HB ASP 51 2.944 1.622 -5.081 327 HD2 ASP 51 HD2 ASP 51 0.797 4.326 -5.793 328 H PHE 52 H PHE 52 0.766 -0.058 -8.112 329 HA PHE 52 HA PHE 52 -1.227 2.083 -8.227 330 1HB PHE 52 1HB PHE 52 -0.026 0.517 -10.550 331 2HB PHE 52 2HB PHE 52 -0.623 2.177 -10.566 332 HD1 PHE 52 1HD PHE 52 2.076 1.026 -11.567 333 HD2 PHE 52 2HD PHE 52 0.907 2.966 -7.980 334 HE1 PHE 52 1HE PHE 52 4.424 1.857 -11.253 335 HE2 PHE 52 2HE PHE 52 3.255 3.796 -7.665 336 HZ PHE 52 HZ PHE 52 4.986 3.232 -9.304 337 H SER 53 H SER 53 -2.998 0.876 -7.315 338 HA SER 53 HA SER 53 -4.165 -0.875 -9.277 339 1HB SER 53 1HB SER 53 -3.415 -2.685 -8.105 340 2HB SER 53 2HB SER 53 -3.182 -1.764 -6.606 341 HG SER 53 HG SER 53 -4.903 -3.320 -6.407 342 H SER 54 H SER 54 -5.629 0.944 -9.554 343 HA SER 54 HA SER 54 -6.896 2.219 -7.486 344 1HB SER 54 1HB SER 54 -8.539 2.934 -9.182 345 2HB SER 54 2HB SER 54 -6.888 3.031 -9.820 346 HG SER 54 HG SER 54 -9.019 1.251 -10.487 347 H VAL 55 H VAL 55 -9.024 1.970 -6.530 348 HA VAL 55 HA VAL 55 -10.601 -0.320 -7.200 349 HB VAL 55 HB VAL 55 -8.739 -1.275 -5.840 350 1HG1 VAL 55 1HG1 VAL 55 -9.335 -0.730 -3.237 351 2HG1 VAL 55 2HG1 VAL 55 -8.034 0.062 -4.160 352 3HG1 VAL 55 3HG1 VAL 55 -9.617 0.858 -3.989 353 1HG2 VAL 55 1HG2 VAL 55 -10.152 -2.851 -5.076 354 2HG2 VAL 55 2HG2 VAL 55 -11.048 -1.693 -4.063 355 3HG2 VAL 55 3HG2 VAL 55 -11.430 -1.842 -5.797 356 H THR 56 H THR 56 -12.694 -0.250 -6.133 357 HA THR 56 HA THR 56 -13.175 2.318 -4.770 358 HB THR 56 HB THR 56 -14.214 1.249 -7.278 359 HG1 THR 56 1HG THR 56 -14.822 3.482 -7.311 360 1HG2 THR 56 1HG2 THR 56 -16.626 1.955 -6.730 361 2HG2 THR 56 2HG2 THR 56 -16.145 0.368 -6.090 362 3HG2 THR 56 3HG2 THR 56 -16.198 1.783 -5.012 363 H ALA 57 H ALA 57 -14.777 2.355 -3.128 364 HA ALA 57 HA ALA 57 -15.215 -0.318 -2.003 365 1HB ALA 57 1HB ALA 57 -15.787 1.681 -0.087 366 2HB ALA 57 2HB ALA 57 -14.351 0.628 -0.156 367 3HB ALA 57 3HB ALA 57 -14.320 2.229 -0.934 368 H ASP 58 H ASP 58 -17.310 -0.922 -1.274 369 HA ASP 58 HA ASP 58 -19.368 0.144 -2.831 370 1HB ASP 58 1HB ASP 58 -19.957 -1.409 -0.324 371 2HB ASP 58 2HB ASP 58 -20.677 -1.578 -1.931 372 HD2 ASP 58 HD2 ASP 58 -17.324 -3.251 -2.530 373 H ALA 59 H ALA 59 -21.467 1.067 -1.876 374 HA ALA 59 HA ALA 59 -21.152 3.370 -0.542 375 1HB ALA 59 1HB ALA 59 -23.394 3.435 -0.775 376 2HB ALA 59 2HB ALA 59 -23.275 1.791 -1.448 377 3HB ALA 59 3HB ALA 59 -23.617 2.022 0.284 378 H ASN 60 H ASN 60 -21.093 0.097 0.812 379 HA ASN 60 HA ASN 60 -21.317 1.107 3.483 380 1HB ASN 60 1HB ASN 60 -22.074 -1.241 2.434 381 2HB ASN 60 2HB ASN 60 -20.419 -1.713 2.848 382 1HD2 ASN 60 1HD2 ASN 60 -21.281 -3.200 4.335 383 2HD2 ASN 60 2HD2 ASN 60 -21.857 -2.717 5.896 384 H GLY 61 H GLY 61 -19.090 2.123 1.855 385 1HA GLY 61 1HA GLY 61 -16.836 2.295 1.782 386 2HA GLY 61 2HA GLY 61 -16.969 2.122 3.519 387 H SER 62 H SER 62 -17.716 -0.348 0.984 388 HA SER 62 HA SER 62 -15.761 -2.044 2.303 389 1HB SER 62 1HB SER 62 -17.526 -3.209 0.221 390 2HB SER 62 2HB SER 62 -17.124 -3.826 1.833 391 HG SER 62 HG SER 62 -18.810 -2.749 2.707 392 H ALA 63 H ALA 63 -13.781 -1.528 1.323 393 HA ALA 63 HA ALA 63 -13.738 -1.544 -1.610 394 1HB ALA 63 1HB ALA 63 -12.497 0.303 -1.290 395 2HB ALA 63 2HB ALA 63 -12.448 0.030 0.468 396 3HB ALA 63 3HB ALA 63 -11.236 -0.738 -0.586 397 H SER 64 H SER 64 -13.622 -3.712 -2.165 398 HA SER 64 HA SER 64 -11.614 -5.270 -0.761 399 1HB SER 64 1HB SER 64 -13.820 -6.143 -2.669 400 2HB SER 64 2HB SER 64 -12.725 -7.239 -1.808 401 HG SER 64 HG SER 64 -14.664 -5.428 -0.645 402 H THR 65 H THR 65 -9.665 -4.633 -1.764 403 HA THR 65 HA THR 65 -9.580 -4.917 -4.691 404 HB THR 65 HB THR 65 -8.989 -2.686 -3.494 405 HG1 THR 65 1HG THR 65 -7.261 -2.508 -5.061 406 1HG2 THR 65 1HG2 THR 65 -6.569 -2.622 -2.751 407 2HG2 THR 65 2HG2 THR 65 -7.605 -3.547 -1.636 408 3HG2 THR 65 3HG2 THR 65 -6.550 -4.402 -2.787 409 H SER 66 H SER 66 -7.523 -5.810 -5.601 410 HA SER 66 HA SER 66 -6.323 -7.717 -3.776 411 1HB SER 66 1HB SER 66 -6.593 -9.558 -5.294 412 2HB SER 66 2HB SER 66 -8.193 -8.824 -5.088 413 HG SER 66 HG SER 66 -8.124 -8.011 -7.143 414 H LEU 67 H LEU 67 -4.114 -7.555 -3.912 415 HA LEU 67 HA LEU 67 -2.897 -7.107 -6.489 416 1HB LEU 67 1HB LEU 67 -3.524 -4.900 -5.000 417 2HB LEU 67 2HB LEU 67 -1.849 -5.217 -4.518 418 HG LEU 67 HG LEU 67 -2.333 -3.608 -6.482 419 1HD1 LEU 67 1HD1 LEU 67 -0.357 -5.608 -7.410 420 2HD1 LEU 67 2HD1 LEU 67 -0.184 -3.861 -7.113 421 3HD1 LEU 67 3HD1 LEU 67 -0.142 -5.006 -5.749 422 1HD2 LEU 67 1HD2 LEU 67 -3.906 -5.308 -7.568 423 2HD2 LEU 67 2HD2 LEU 67 -2.736 -4.479 -8.623 424 3HD2 LEU 67 3HD2 LEU 67 -2.432 -6.154 -8.100 425 H THR 68 H THR 68 -0.331 -6.940 -6.018 426 HA THR 68 HA THR 68 0.190 -9.134 -4.128 427 HB THR 68 HB THR 68 0.611 -9.335 -6.694 428 HG1 THR 68 1HG THR 68 1.606 -10.530 -4.762 429 1HG2 THR 68 1HG2 THR 68 1.750 -7.171 -7.090 430 2HG2 THR 68 2HG2 THR 68 2.947 -7.552 -5.828 431 3HG2 THR 68 3HG2 THR 68 2.908 -8.501 -7.334 432 H VAL 69 H VAL 69 1.663 -8.950 -2.496 433 HA VAL 69 HA VAL 69 2.505 -6.229 -1.944 434 HB VAL 69 HB VAL 69 2.730 -8.751 -0.287 435 1HG1 VAL 69 1HG1 VAL 69 3.592 -7.513 1.393 436 2HG1 VAL 69 2HG1 VAL 69 4.055 -6.393 0.090 437 3HG1 VAL 69 3HG1 VAL 69 2.566 -6.108 1.025 438 1HG2 VAL 69 1HG2 VAL 69 0.716 -6.757 0.495 439 2HG2 VAL 69 2HG2 VAL 69 0.382 -7.538 -1.070 440 3HG2 VAL 69 3HG2 VAL 69 0.599 -8.530 0.393 441 H ARG 70 H ARG 70 4.124 -5.982 -3.599 442 HA ARG 70 HA ARG 70 6.309 -7.837 -3.491 443 1HB ARG 70 1HB ARG 70 5.621 -5.452 -5.244 444 2HB ARG 70 2HB ARG 70 7.210 -6.230 -5.347 445 1HG ARG 70 1HG ARG 70 4.859 -8.060 -5.423 446 2HG ARG 70 2HG ARG 70 5.028 -6.987 -6.824 447 1HD ARG 70 1HD ARG 70 7.526 -7.780 -6.820 448 2HD ARG 70 2HD ARG 70 6.949 -9.106 -5.799 449 HE ARG 70 HE ARG 70 5.215 -8.923 -8.041 450 1HH1 ARG 70 1HH1 ARG 70 8.579 -9.702 -7.370 451 2HH1 ARG 70 2HH1 ARG 70 8.739 -10.761 -8.731 452 1HH2 ARG 70 1HH2 ARG 70 5.425 -10.318 -9.839 453 2HH2 ARG 70 2HH2 ARG 70 6.933 -11.113 -10.145 454 H ARG 71 H ARG 71 6.772 -7.145 -1.157 455 HA ARG 71 HA ARG 71 7.382 -4.706 -0.313 456 1HB ARG 71 1HB ARG 71 7.500 -6.645 1.150 457 2HB ARG 71 2HB ARG 71 8.872 -7.315 0.250 458 1HG ARG 71 1HG ARG 71 9.859 -4.856 0.914 459 2HG ARG 71 2HG ARG 71 8.795 -5.144 2.300 460 1HD ARG 71 1HD ARG 71 11.088 -5.977 2.724 461 2HD ARG 71 2HD ARG 71 9.928 -7.315 2.718 462 HE ARG 71 HE ARG 71 11.034 -6.895 0.081 463 1HH1 ARG 71 1HH1 ARG 71 11.816 -8.247 3.233 464 2HH1 ARG 71 2HH1 ARG 71 12.969 -9.376 2.606 465 1HH2 ARG 71 1HH2 ARG 71 12.555 -8.385 -0.750 466 2HH2 ARG 71 2HH2 ARG 71 13.391 -9.455 0.325 467 H SER 72 H SER 72 9.340 -6.792 -2.459 468 HA SER 72 HA SER 72 11.491 -4.862 -2.386 469 1HB SER 72 1HB SER 72 12.753 -6.509 -3.678 470 2HB SER 72 2HB SER 72 12.023 -7.292 -2.264 471 HG SER 72 HG SER 72 11.253 -7.456 -5.036 472 H PHE 73 H PHE 73 11.656 -3.261 -3.917 473 HA PHE 73 HA PHE 73 11.321 -3.542 -6.595 474 1HB PHE 73 1HB PHE 73 8.819 -3.533 -5.118 475 2HB PHE 73 2HB PHE 73 8.905 -2.017 -6.022 476 HD1 PHE 73 1HD PHE 73 7.001 -4.465 -6.341 477 HD2 PHE 73 2HD PHE 73 10.520 -3.227 -8.366 478 HE1 PHE 73 1HE PHE 73 6.241 -5.673 -8.406 479 HE2 PHE 73 2HE PHE 73 9.757 -4.433 -10.429 480 HZ PHE 73 HZ PHE 73 7.627 -5.643 -10.426 481 H GLU 74 H GLU 74 11.025 -1.334 -7.738 482 HA GLU 74 HA GLU 74 12.546 0.536 -6.220 483 1HB GLU 74 1HB GLU 74 13.084 0.157 -8.565 484 2HB GLU 74 2HB GLU 74 11.447 0.623 -9.065 485 1HG GLU 74 1HG GLU 74 12.102 2.849 -7.697 486 2HG GLU 74 2HG GLU 74 13.740 2.333 -8.131 487 HE2 GLU 74 HE2 GLU 74 13.069 2.811 -11.564 488 H GLY 75 H GLY 75 11.614 1.971 -4.835 489 1HA GLY 75 1HA GLY 75 8.794 2.552 -5.009 490 2HA GLY 75 2HA GLY 75 9.937 3.117 -3.807 491 H PHE 76 H PHE 76 8.175 4.991 -4.630 492 HA PHE 76 HA PHE 76 9.842 6.697 -6.325 493 1HB PHE 76 1HB PHE 76 6.973 5.782 -6.574 494 2HB PHE 76 2HB PHE 76 7.280 7.481 -6.954 495 HD1 PHE 76 1HD PHE 76 7.815 8.014 -9.134 496 HD2 PHE 76 2HD PHE 76 8.612 4.082 -7.749 497 HE1 PHE 76 1HE PHE 76 8.543 7.349 -11.442 498 HE2 PHE 76 2HE PHE 76 9.339 3.418 -10.058 499 HZ PHE 76 HZ PHE 76 9.296 5.058 -11.875 500 H LEU 77 H LEU 77 10.361 8.514 -5.210 501 HA LEU 77 HA LEU 77 9.523 9.153 -2.730 502 1HB LEU 77 1HB LEU 77 10.262 11.086 -4.922 503 2HB LEU 77 2HB LEU 77 10.316 11.412 -3.181 504 HG LEU 77 HG LEU 77 11.989 9.346 -4.634 505 1HD1 LEU 77 1HD1 LEU 77 13.415 11.597 -3.453 506 2HD1 LEU 77 2HD1 LEU 77 13.538 10.882 -5.078 507 3HD1 LEU 77 3HD1 LEU 77 12.286 12.098 -4.734 508 1HD2 LEU 77 1HD2 LEU 77 13.224 9.115 -2.576 509 2HD2 LEU 77 2HD2 LEU 77 12.230 10.367 -1.792 510 3HD2 LEU 77 3HD2 LEU 77 11.497 8.815 -2.262 511 H PHE 78 H PHE 78 8.171 11.096 -1.992 512 HA PHE 78 HA PHE 78 5.534 10.690 -2.986 513 1HB PHE 78 1HB PHE 78 4.988 11.884 -1.015 514 2HB PHE 78 2HB PHE 78 6.595 11.298 -0.582 515 HD1 PHE 78 1HD PHE 78 4.551 14.069 -0.510 516 HD2 PHE 78 2HD PHE 78 8.531 12.979 -1.499 517 HE1 PHE 78 1HE PHE 78 5.292 16.436 -0.127 518 HE2 PHE 78 2HE PHE 78 9.273 15.346 -1.116 519 HZ PHE 78 HZ PHE 78 7.645 17.046 -0.435 520 H ASP 79 H ASP 79 8.106 13.128 -3.391 521 HA ASP 79 HA ASP 79 6.534 15.197 -4.293 522 1HB ASP 79 1HB ASP 79 9.115 14.988 -3.769 523 2HB ASP 79 2HB ASP 79 9.255 14.612 -5.493 524 HD2 ASP 79 HD2 ASP 79 7.886 18.269 -4.734 525 H GLY 80 H GLY 80 8.440 12.693 -6.145 526 1HA GLY 80 1HA GLY 80 6.579 11.943 -7.976 527 2HA GLY 80 2HA GLY 80 7.232 13.423 -8.654 528 H THR 81 H THR 81 9.924 12.936 -7.276 529 HA THR 81 HA THR 81 11.110 11.508 -9.427 530 HB THR 81 HB THR 81 12.074 12.713 -6.791 531 HG1 THR 81 1HG THR 81 11.459 14.104 -8.606 532 1HG2 THR 81 1HG2 THR 81 14.370 12.378 -7.582 533 2HG2 THR 81 2HG2 THR 81 13.586 10.782 -7.510 534 3HG2 THR 81 3HG2 THR 81 13.785 11.605 -9.076 535 H ARG 82 H ARG 82 11.868 9.447 -9.610 536 HA ARG 82 HA ARG 82 10.727 7.604 -7.807 537 1HB ARG 82 1HB ARG 82 11.758 5.898 -9.265 538 2HB ARG 82 2HB ARG 82 10.981 7.147 -10.252 539 1HG ARG 82 1HG ARG 82 13.251 8.273 -10.426 540 2HG ARG 82 2HG ARG 82 13.956 6.845 -9.645 541 1HD ARG 82 1HD ARG 82 12.929 5.444 -11.495 542 2HD ARG 82 2HD ARG 82 12.457 6.946 -12.304 543 HE ARG 82 HE ARG 82 15.135 7.334 -11.878 544 1HH1 ARG 82 1HH1 ARG 82 13.339 4.640 -13.255 545 2HH1 ARG 82 2HH1 ARG 82 14.630 4.146 -14.297 546 1HH2 ARG 82 1HH2 ARG 82 16.840 6.682 -13.253 547 2HH2 ARG 82 2HH2 ARG 82 16.635 5.315 -14.297 548 H TRP 83 H TRP 83 11.754 6.347 -6.192 549 HA TRP 83 HA TRP 83 14.471 7.217 -5.535 550 1HB TRP 83 1HB TRP 83 12.784 7.591 -3.835 551 2HB TRP 83 2HB TRP 83 12.349 5.879 -3.849 552 HD1 TRP 83 HD TRP 83 13.653 4.405 -2.114 553 HE1 TRP 83 1HE TRP 83 15.750 4.630 -0.528 554 HE3 TRP 83 3HE TRP 83 15.175 8.917 -3.896 555 HZ2 TRP 83 2HZ TRP 83 17.764 6.625 -0.204 556 HZ3 TRP 83 3HZ TRP 83 17.217 9.935 -2.891 557 HH2 TRP 83 HH TRP 83 18.497 8.864 -1.105 558 H GLY 84 H GLY 84 12.815 4.190 -4.555 559 1HA GLY 84 1HA GLY 84 13.371 2.250 -6.163 560 2HA GLY 84 2HA GLY 84 15.025 2.677 -5.771 561 H THR 85 H THR 85 15.839 2.375 -3.597 562 HA THR 85 HA THR 85 15.986 1.400 -1.601 563 HB THR 85 HB THR 85 12.953 1.625 -1.834 564 HG1 THR 85 1HG THR 85 15.170 2.792 -0.306 565 1HG2 THR 85 1HG2 THR 85 12.887 0.018 -0.160 566 2HG2 THR 85 2HG2 THR 85 14.621 0.192 0.205 567 3HG2 THR 85 3HG2 THR 85 13.451 1.367 0.854 568 H VAL 86 H VAL 86 13.323 -0.241 -3.443 569 HA VAL 86 HA VAL 86 13.268 -2.314 -4.263 570 HB VAL 86 HB VAL 86 15.969 -2.778 -2.985 571 1HG1 VAL 86 1HG1 VAL 86 14.164 -4.535 -4.284 572 2HG1 VAL 86 2HG1 VAL 86 15.501 -4.236 -5.422 573 3HG1 VAL 86 3HG1 VAL 86 15.844 -4.853 -3.788 574 1HG2 VAL 86 1HG2 VAL 86 16.716 -1.233 -4.437 575 2HG2 VAL 86 2HG2 VAL 86 16.417 -2.466 -5.686 576 3HG2 VAL 86 3HG2 VAL 86 15.189 -1.220 -5.354 577 H ASP 87 H ASP 87 15.235 -3.651 -1.675 578 HA ASP 87 HA ASP 87 13.094 -5.101 -0.691 579 1HB ASP 87 1HB ASP 87 15.756 -5.322 -0.485 580 2HB ASP 87 2HB ASP 87 15.476 -4.496 1.056 581 HD2 ASP 87 HD2 ASP 87 13.829 -7.323 2.358 582 H CYS 88 H CYS 88 11.343 -3.890 0.165 583 HA CYS 88 HA CYS 88 11.882 -1.605 1.811 584 1HB CYS 88 1HB CYS 88 10.049 -1.362 0.389 585 2HB CYS 88 2HB CYS 88 9.379 -2.940 0.808 586 H THR 89 H THR 89 13.227 -3.331 3.201 587 HA THR 89 HA THR 89 11.416 -4.664 5.091 588 HB THR 89 HB THR 89 14.259 -5.083 4.125 589 HG1 THR 89 1HG THR 89 13.259 -7.243 4.018 590 1HG2 THR 89 1HG2 THR 89 14.623 -5.215 6.521 591 2HG2 THR 89 2HG2 THR 89 13.044 -5.992 6.778 592 3HG2 THR 89 3HG2 THR 89 14.355 -6.886 5.973 593 H THR 90 H THR 90 13.260 -1.813 4.657 594 HA THR 90 HA THR 90 13.846 -1.540 7.491 595 HB THR 90 HB THR 90 14.403 0.091 4.969 596 HG1 THR 90 1HG THR 90 15.862 -1.401 7.030 597 1HG2 THR 90 1HG2 THR 90 15.072 0.690 7.896 598 2HG2 THR 90 2HG2 THR 90 15.919 1.433 6.519 599 3HG2 THR 90 3HG2 THR 90 14.185 1.745 6.770 600 H ALA 91 H ALA 91 11.960 0.286 4.982 601 HA ALA 91 HA ALA 91 10.521 1.585 7.145 602 1HB ALA 91 1HB ALA 91 9.433 2.644 4.955 603 2HB ALA 91 2HB ALA 91 11.038 3.157 5.527 604 3HB ALA 91 3HB ALA 91 10.903 1.989 4.193 605 H ALA 92 H ALA 92 8.483 1.030 7.797 606 HA ALA 92 HA ALA 92 7.399 -1.414 6.914 607 1HB ALA 92 1HB ALA 92 6.130 -1.171 8.773 608 2HB ALA 92 2HB ALA 92 7.145 0.254 9.106 609 3HB ALA 92 3HB ALA 92 5.576 0.450 8.291 610 H CYS 93 H CYS 93 6.329 -1.815 5.052 611 HA CYS 93 HA CYS 93 5.251 0.447 3.606 612 1HB CYS 93 1HB CYS 93 4.842 -2.133 2.366 613 2HB CYS 93 2HB CYS 93 5.691 -0.705 1.764 614 H GLN 94 H GLN 94 3.089 0.969 3.720 615 HA GLN 94 HA GLN 94 1.360 -1.050 4.907 616 1HB GLN 94 1HB GLN 94 -0.074 0.775 5.617 617 2HB GLN 94 2HB GLN 94 1.588 1.140 6.115 618 1HG GLN 94 1HG GLN 94 1.852 2.604 4.136 619 2HG GLN 94 2HG GLN 94 0.203 2.227 3.616 620 1HE2 GLN 94 1HE2 GLN 94 2.238 4.067 5.672 621 2HE2 GLN 94 2HE2 GLN 94 1.034 5.016 6.478 622 H VAL 95 H VAL 95 -0.253 -1.961 3.687 623 HA VAL 95 HA VAL 95 -0.599 -0.884 0.998 624 HB VAL 95 HB VAL 95 -1.842 -3.438 1.875 625 1HG1 VAL 95 1HG1 VAL 95 -1.955 -2.482 -0.461 626 2HG1 VAL 95 2HG1 VAL 95 -0.204 -2.778 -0.590 627 3HG1 VAL 95 3HG1 VAL 95 -1.323 -4.143 -0.350 628 1HG2 VAL 95 1HG2 VAL 95 0.102 -4.043 2.906 629 2HG2 VAL 95 2HG2 VAL 95 0.567 -4.421 1.228 630 3HG2 VAL 95 3HG2 VAL 95 1.089 -2.892 1.974 631 H GLY 96 H GLY 96 -2.376 0.279 0.463 632 1HA GLY 96 1HA GLY 96 -4.954 -0.286 1.505 633 2HA GLY 96 2HA GLY 96 -4.262 1.103 2.318 634 H LEU 97 H LEU 97 -6.439 1.788 0.995 635 HA LEU 97 HA LEU 97 -5.562 2.703 -1.650 636 1HB LEU 97 1HB LEU 97 -8.102 3.147 -1.840 637 2HB LEU 97 2HB LEU 97 -7.459 1.509 -2.054 638 HG LEU 97 HG LEU 97 -8.407 2.345 0.659 639 1HD1 LEU 97 1HD1 LEU 97 -10.177 1.888 -1.729 640 2HD1 LEU 97 2HD1 LEU 97 -10.717 1.447 -0.092 641 3HD1 LEU 97 3HD1 LEU 97 -10.281 3.133 -0.462 642 1HD2 LEU 97 1HD2 LEU 97 -9.198 -0.070 0.617 643 2HD2 LEU 97 2HD2 LEU 97 -8.303 -0.231 -0.913 644 3HD2 LEU 97 3HD2 LEU 97 -7.439 0.197 0.583 645 H SER 98 H SER 98 -4.998 4.797 -1.864 646 HA SER 98 HA SER 98 -5.821 6.559 0.295 647 1HB SER 98 1HB SER 98 -3.937 7.959 -0.309 648 2HB SER 98 2HB SER 98 -3.364 6.287 -0.165 649 HG SER 98 HG SER 98 -3.691 6.196 -2.580 650 H ASP 99 H ASP 99 -6.203 8.941 -0.431 651 HA ASP 99 HA ASP 99 -8.300 8.953 -2.217 652 1HB ASP 99 1HB ASP 99 -6.681 11.446 -1.731 653 2HB ASP 99 2HB ASP 99 -8.440 11.256 -1.760 654 HD2 ASP 99 HD2 ASP 99 -7.663 9.685 1.605 655 H ALA 100 H ALA 100 -8.377 10.375 -4.289 656 HA ALA 100 HA ALA 100 -6.059 9.730 -5.907 657 1HB ALA 100 1HB ALA 100 -7.502 10.049 -7.751 658 2HB ALA 100 2HB ALA 100 -8.546 9.323 -6.505 659 3HB ALA 100 3HB ALA 100 -8.616 11.074 -6.816 660 H ALA 101 H ALA 101 -6.868 12.181 -3.813 661 HA ALA 101 HA ALA 101 -6.035 14.365 -5.524 662 1HB ALA 101 1HB ALA 101 -6.922 14.143 -2.626 663 2HB ALA 101 2HB ALA 101 -6.402 15.670 -3.379 664 3HB ALA 101 3HB ALA 101 -7.836 14.816 -3.995 665 H GLY 102 H GLY 102 -4.719 12.045 -3.232 666 1HA GLY 102 1HA GLY 102 -2.372 11.670 -3.245 667 2HA GLY 102 2HA GLY 102 -2.104 13.387 -3.473 668 H ASN 103 H ASN 103 -4.381 11.747 -1.187 669 HA ASN 103 HA ASN 103 -2.648 12.447 0.995 670 1HB ASN 103 1HB ASN 103 -5.511 13.493 0.761 671 2HB ASN 103 2HB ASN 103 -4.507 13.642 2.211 672 1HD2 ASN 103 1HD2 ASN 103 -4.783 14.468 -1.209 673 2HD2 ASN 103 2HD2 ASN 103 -3.848 15.926 -1.175 674 H GLY 104 H GLY 104 -3.709 11.560 3.142 675 1HA GLY 104 1HA GLY 104 -5.342 10.137 4.121 676 2HA GLY 104 2HA GLY 104 -5.573 9.346 2.573 677 HA PRO 105 HA PRO 105 -1.540 7.804 4.593 678 1HB PRO 105 1HB PRO 105 -1.368 8.037 7.309 679 2HB PRO 105 2HB PRO 105 -0.590 9.160 6.194 680 1HG PRO 105 1HG PRO 105 -3.042 9.477 7.805 681 2HG PRO 105 2HG PRO 105 -2.010 10.754 7.068 682 1HD PRO 105 1HD PRO 105 -4.564 9.803 6.193 683 2HD PRO 105 2HD PRO 105 -3.519 10.948 5.342 684 H GLU 106 H GLU 106 -3.930 6.610 3.985 685 HA GLU 106 HA GLU 106 -4.354 4.776 6.172 686 1HB GLU 106 1HB GLU 106 -5.921 5.813 3.978 687 2HB GLU 106 2HB GLU 106 -5.933 4.042 3.913 688 1HG GLU 106 1HG GLU 106 -7.786 4.886 5.297 689 2HG GLU 106 2HG GLU 106 -6.644 3.974 6.298 690 HE2 GLU 106 HE2 GLU 106 -5.777 6.790 8.116 691 H GLY 107 H GLY 107 -3.601 2.675 6.216 692 1HA GLY 107 1HA GLY 107 -3.062 1.101 3.970 693 2HA GLY 107 2HA GLY 107 -1.567 1.886 4.436 694 H VAL 108 H VAL 108 -2.162 -0.986 4.574 695 HA VAL 108 HA VAL 108 -2.237 -1.381 7.479 696 HB VAL 108 HB VAL 108 -3.964 -2.520 6.166 697 1HG1 VAL 108 1HG1 VAL 108 -2.263 -4.540 4.940 698 2HG1 VAL 108 2HG1 VAL 108 -3.584 -3.579 4.234 699 3HG1 VAL 108 3HG1 VAL 108 -1.931 -2.916 4.291 700 1HG2 VAL 108 1HG2 VAL 108 -2.953 -3.512 8.260 701 2HG2 VAL 108 2HG2 VAL 108 -3.736 -4.677 7.167 702 3HG2 VAL 108 3HG2 VAL 108 -1.962 -4.546 7.203 703 H ALA 109 H ALA 109 -0.319 -1.693 8.472 704 HA ALA 109 HA ALA 109 2.074 -1.873 7.037 705 1HB ALA 109 1HB ALA 109 3.076 -1.834 9.139 706 2HB ALA 109 2HB ALA 109 1.487 -1.117 9.497 707 3HB ALA 109 3HB ALA 109 1.799 -2.828 9.883 708 H ILE 110 H ILE 110 2.100 -3.577 5.542 709 HA ILE 110 HA ILE 110 1.306 -6.195 6.274 710 HB ILE 110 HB ILE 110 1.206 -5.297 3.995 711 1HG1 ILE 110 1HG1 ILE 110 2.078 -7.291 2.849 712 2HG1 ILE 110 2HG1 ILE 110 2.947 -7.758 4.321 713 1HG2 ILE 110 1HG2 ILE 110 4.134 -5.710 3.595 714 2HG2 ILE 110 2HG2 ILE 110 2.993 -4.641 2.742 715 3HG2 ILE 110 3HG2 ILE 110 3.592 -4.195 4.357 716 1HD1 ILE 110 1HD1 ILE 110 0.680 -8.880 3.968 717 2HD1 ILE 110 2HD1 ILE 110 0.881 -8.058 5.535 718 3HD1 ILE 110 3HD1 ILE 110 -0.062 -7.285 4.238 719 H SER 111 H SER 111 2.488 -7.930 7.034 720 HA SER 111 HA SER 111 4.874 -7.285 8.359 721 1HB SER 111 1HB SER 111 2.978 -9.145 8.746 722 2HB SER 111 2HB SER 111 4.133 -10.152 7.855 723 HG SER 111 HG SER 111 5.616 -8.865 9.626 724 H PHE 112 H PHE 112 5.747 -6.456 6.071 725 HA PHE 112 HA PHE 112 6.509 -8.147 4.077 726 1HB PHE 112 1HB PHE 112 8.355 -6.410 3.779 727 2HB PHE 112 2HB PHE 112 6.767 -5.683 4.038 728 HD1 PHE 112 1HD PHE 112 10.037 -6.394 5.568 729 HD2 PHE 112 2HD PHE 112 6.320 -4.396 6.007 730 HE1 PHE 112 1HE PHE 112 10.969 -5.084 7.495 731 HE2 PHE 112 2HE PHE 112 7.252 -3.083 7.935 732 HZ PHE 112 HZ PHE 112 9.567 -3.443 8.656 733 H ASN 113 H ASN 113 8.631 -9.100 3.511 734 HA ASN 113 HA ASN 113 9.542 -10.727 5.566 735 1HB ASN 113 1HB ASN 113 9.936 -10.412 2.728 736 2HB ASN 113 2HB ASN 113 11.538 -10.520 3.475 737 1HD2 ASN 113 1HD2 ASN 113 10.131 -12.386 1.735 738 2HD2 ASN 113 2HD2 ASN 113 10.005 -13.894 2.581 739 6H NCZ 130 6H NCZ 130 1.306 13.287 -0.061 740 6H1 NCZ 130 6H1 NCZ 130 -0.980 11.508 -0.360 741 5H1 NCZ 130 5H1 NCZ 130 -0.445 12.207 2.132 742 4H1 NCZ 130 4H1 NCZ 130 1.860 10.801 2.689 743 5H NCZ 130 5H NCZ 130 3.550 10.590 -0.521 744 3H1 NCZ 130 3H1 NCZ 130 2.135 9.286 0.798 745 2H1 NCZ 130 2H1 NCZ 130 0.800 11.062 -1.588 746 2H NCZ 130 2H NCZ 130 -0.452 7.815 -4.541 747 8H NCZ 130 8H NCZ 130 -1.098 4.687 -4.188 748 7H NCZ 130 7H NCZ 130 -1.762 3.537 -2.105 749 3H NCZ 130 3H NCZ 130 -1.185 4.428 2.477 750 1H17 NCZ 130 1H17 NCZ 130 0.576 8.142 4.278 751 2H17 NCZ 130 2H17 NCZ 130 1.235 8.354 2.639 752 3H17 NCZ 130 3H17 NCZ 130 -0.491 8.654 2.950 753 1H18 NCZ 130 1H18 NCZ 130 -1.739 2.551 -0.565 754 2H18 NCZ 130 2H18 NCZ 130 -1.660 2.519 1.210 755 3H18 NCZ 130 3H18 NCZ 130 -3.039 3.293 0.396 756 1H NCZ 130 1H NCZ 130 0.610 7.761 0.566 Start of MODEL 15 1 H ALA 1 H ALA 1 -6.539 -9.442 7.012 2 HA ALA 1 HA ALA 1 -7.745 -7.326 6.479 3 1HB ALA 1 1HB ALA 1 -9.134 -8.499 4.617 4 2HB ALA 1 2HB ALA 1 -7.370 -8.731 4.626 5 3HB ALA 1 3HB ALA 1 -8.439 -10.008 5.259 6 H ALA 2 H ALA 2 -9.444 -6.082 7.096 7 HA ALA 2 HA ALA 2 -12.046 -6.744 7.197 8 1HB ALA 2 1HB ALA 2 -11.852 -6.894 10.002 9 2HB ALA 2 2HB ALA 2 -12.313 -8.205 8.889 10 3HB ALA 2 3HB ALA 2 -10.614 -8.019 9.392 11 HA PRO 3 HA PRO 3 -11.137 -2.962 9.872 12 1HB PRO 3 1HB PRO 3 -8.629 -2.531 10.865 13 2HB PRO 3 2HB PRO 3 -9.909 -3.312 11.788 14 1HG PRO 3 1HG PRO 3 -7.564 -4.481 10.431 15 2HG PRO 3 2HG PRO 3 -8.572 -5.190 11.746 16 1HD PRO 3 1HD PRO 3 -8.568 -5.841 8.955 17 2HD PRO 3 2HD PRO 3 -9.688 -6.451 10.181 18 H THR 4 H THR 4 -11.550 -1.584 8.242 19 HA THR 4 HA THR 4 -11.122 -0.363 6.415 20 HB THR 4 HB THR 4 -9.702 1.417 6.982 21 HG1 THR 4 1HG THR 4 -7.563 0.892 7.305 22 1HG2 THR 4 1HG2 THR 4 -10.926 0.389 9.174 23 2HG2 THR 4 2HG2 THR 4 -9.236 0.089 9.648 24 3HG2 THR 4 3HG2 THR 4 -9.782 1.747 9.294 25 H ALA 5 H ALA 5 -9.046 0.350 4.853 26 HA ALA 5 HA ALA 5 -8.672 -1.849 3.254 27 1HB ALA 5 1HB ALA 5 -7.231 -0.449 1.994 28 2HB ALA 5 2HB ALA 5 -8.359 0.674 2.793 29 3HB ALA 5 3HB ALA 5 -6.712 0.457 3.436 30 H THR 6 H THR 6 -7.640 -3.733 3.670 31 HA THR 6 HA THR 6 -4.976 -3.605 4.822 32 HB THR 6 HB THR 6 -5.869 -5.585 6.385 33 HG1 THR 6 1HG THR 6 -8.174 -4.644 6.938 34 1HG2 THR 6 1HG2 THR 6 -6.676 -2.690 6.978 35 2HG2 THR 6 2HG2 THR 6 -6.412 -3.981 8.173 36 3HG2 THR 6 3HG2 THR 6 -5.040 -3.341 7.238 37 H VAL 7 H VAL 7 -3.611 -5.167 4.057 38 HA VAL 7 HA VAL 7 -4.858 -7.015 2.146 39 HB VAL 7 HB VAL 7 -3.346 -5.263 1.244 40 1HG1 VAL 7 1HG1 VAL 7 -1.129 -5.037 1.819 41 2HG1 VAL 7 2HG1 VAL 7 -1.812 -5.523 3.389 42 3HG1 VAL 7 3HG1 VAL 7 -0.981 -6.722 2.368 43 1HG2 VAL 7 1HG2 VAL 7 -2.704 -6.659 -0.407 44 2HG2 VAL 7 2HG2 VAL 7 -1.803 -7.721 0.702 45 3HG2 VAL 7 3HG2 VAL 7 -3.566 -7.899 0.535 46 H THR 8 H THR 8 -5.099 -9.010 3.014 47 HA THR 8 HA THR 8 -4.741 -10.795 4.314 48 HB THR 8 HB THR 8 -2.678 -10.466 2.450 49 HG1 THR 8 1HG THR 8 -4.101 -12.339 3.237 50 1HG2 THR 8 1HG2 THR 8 -1.348 -9.928 4.786 51 2HG2 THR 8 2HG2 THR 8 -1.319 -11.708 4.820 52 3HG2 THR 8 3HG2 THR 8 -0.610 -10.834 3.441 53 HA PRO 9 HA PRO 9 -3.432 -9.869 8.294 54 1HB PRO 9 1HB PRO 9 -2.597 -12.259 9.316 55 2HB PRO 9 2HB PRO 9 -4.294 -11.818 9.164 56 1HG PRO 9 1HG PRO 9 -2.649 -13.632 7.516 57 2HG PRO 9 2HG PRO 9 -4.444 -13.561 7.659 58 1HD PRO 9 1HD PRO 9 -2.789 -12.623 5.518 59 2HD PRO 9 2HD PRO 9 -4.533 -12.387 5.684 60 H SER 10 H SER 10 -1.007 -11.861 6.702 61 HA SER 10 HA SER 10 0.989 -10.495 8.278 62 1HB SER 10 1HB SER 10 2.542 -12.121 7.031 63 2HB SER 10 2HB SER 10 1.383 -12.838 8.164 64 HG SER 10 HG SER 10 1.722 -13.476 5.615 65 H SER 11 H SER 11 0.910 -11.548 4.798 66 HA SER 11 HA SER 11 1.516 -10.562 2.964 67 1HB SER 11 1HB SER 11 -0.046 -8.573 4.400 68 2HB SER 11 2HB SER 11 1.143 -7.782 3.350 69 HG SER 11 HG SER 11 0.098 -9.749 1.885 70 H GLY 12 H GLY 12 3.271 -9.320 1.911 71 1HA GLY 12 1HA GLY 12 5.229 -8.152 1.860 72 2HA GLY 12 2HA GLY 12 5.108 -7.840 3.579 73 H LEU 13 H LEU 13 4.776 -10.561 4.517 74 HA LEU 13 HA LEU 13 7.228 -11.357 5.101 75 1HB LEU 13 1HB LEU 13 4.674 -12.789 4.676 76 2HB LEU 13 2HB LEU 13 6.132 -13.783 4.850 77 HG LEU 13 HG LEU 13 4.931 -11.843 6.833 78 1HD1 LEU 13 1HD1 LEU 13 5.590 -14.415 7.900 79 2HD1 LEU 13 2HD1 LEU 13 3.998 -13.636 7.737 80 3HD1 LEU 13 3HD1 LEU 13 4.645 -14.630 6.408 81 1HD2 LEU 13 1HD2 LEU 13 7.077 -11.341 7.338 82 2HD2 LEU 13 2HD2 LEU 13 6.983 -12.884 8.220 83 3HD2 LEU 13 3HD2 LEU 13 7.720 -12.827 6.602 84 H SER 14 H SER 14 5.599 -11.847 1.956 85 HA SER 14 HA SER 14 8.175 -12.801 0.974 86 1HB SER 14 1HB SER 14 5.770 -14.247 1.026 87 2HB SER 14 2HB SER 14 5.902 -13.689 -0.651 88 HG SER 14 HG SER 14 7.411 -15.588 0.754 89 H ASP 15 H ASP 15 9.021 -11.485 -0.604 90 HA ASP 15 HA ASP 15 7.676 -9.201 -1.385 91 1HB ASP 15 1HB ASP 15 9.544 -9.298 -3.273 92 2HB ASP 15 2HB ASP 15 9.988 -8.997 -1.586 93 HD2 ASP 15 HD2 ASP 15 11.475 -12.090 -3.416 94 H GLY 16 H GLY 16 5.588 -10.377 -2.107 95 1HA GLY 16 1HA GLY 16 4.777 -10.192 -4.533 96 2HA GLY 16 2HA GLY 16 5.826 -11.570 -4.790 97 H THR 17 H THR 17 3.949 -10.918 -1.790 98 HA THR 17 HA THR 17 2.700 -13.521 -2.076 99 HB THR 17 HB THR 17 2.362 -11.492 0.178 100 HG1 THR 17 1HG THR 17 4.607 -11.705 0.013 101 1HG2 THR 17 1HG2 THR 17 2.032 -13.412 1.553 102 2HG2 THR 17 2HG2 THR 17 1.144 -13.827 0.067 103 3HG2 THR 17 3HG2 THR 17 2.765 -14.504 0.352 104 H VAL 18 H VAL 18 0.939 -13.740 -3.304 105 HA VAL 18 HA VAL 18 -0.725 -11.487 -3.854 106 HB VAL 18 HB VAL 18 -1.204 -14.411 -4.454 107 1HG1 VAL 18 1HG1 VAL 18 -2.364 -13.388 -6.475 108 2HG1 VAL 18 2HG1 VAL 18 -3.167 -13.149 -4.905 109 3HG1 VAL 18 3HG1 VAL 18 -2.238 -11.822 -5.640 110 1HG2 VAL 18 1HG2 VAL 18 0.055 -12.609 -6.477 111 2HG2 VAL 18 2HG2 VAL 18 1.086 -13.228 -5.165 112 3HG2 VAL 18 3HG2 VAL 18 0.230 -14.364 -6.235 113 H VAL 19 H VAL 19 -2.367 -10.741 -2.623 114 HA VAL 19 HA VAL 19 -3.913 -12.655 -1.085 115 HB VAL 19 HB VAL 19 -3.670 -10.785 0.812 116 1HG1 VAL 19 1HG1 VAL 19 -3.383 -13.003 1.451 117 2HG1 VAL 19 2HG1 VAL 19 -2.074 -13.283 0.277 118 3HG1 VAL 19 3HG1 VAL 19 -1.767 -12.314 1.739 119 1HG2 VAL 19 1HG2 VAL 19 -1.687 -9.664 0.912 120 2HG2 VAL 19 2HG2 VAL 19 -0.795 -10.928 0.030 121 3HG2 VAL 19 3HG2 VAL 19 -1.827 -9.780 -0.859 122 H LYS 20 H LYS 20 -5.530 -10.886 0.311 123 HA LYS 20 HA LYS 20 -6.635 -9.268 -1.880 124 1HB LYS 20 1HB LYS 20 -7.962 -11.269 -1.290 125 2HB LYS 20 2HB LYS 20 -8.146 -10.648 0.357 126 1HG LYS 20 1HG LYS 20 -9.562 -8.934 -0.308 127 2HG LYS 20 2HG LYS 20 -8.872 -8.836 -1.937 128 1HD LYS 20 1HD LYS 20 -9.971 -11.431 -1.738 129 2HD LYS 20 2HD LYS 20 -11.169 -10.370 -0.974 130 1HE LYS 20 1HE LYS 20 -10.809 -8.860 -3.086 131 2HE LYS 20 2HE LYS 20 -10.089 -10.304 -3.811 132 1HZ LYS 20 1HZ LYS 20 -12.235 -11.394 -2.985 133 2HZ LYS 20 2HZ LYS 20 -12.827 -9.873 -2.915 134 3HZ LYS 20 3HZ LYS 20 -12.294 -10.477 -4.335 135 H VAL 21 H VAL 21 -7.114 -7.123 -1.487 136 HA VAL 21 HA VAL 21 -6.342 -6.180 1.184 137 HB VAL 21 HB VAL 21 -6.490 -4.477 -1.285 138 1HG1 VAL 21 1HG1 VAL 21 -4.352 -3.628 0.171 139 2HG1 VAL 21 2HG1 VAL 21 -6.009 -3.008 0.366 140 3HG1 VAL 21 3HG1 VAL 21 -5.396 -4.272 1.460 141 1HG2 VAL 21 1HG2 VAL 21 -4.647 -6.702 -0.824 142 2HG2 VAL 21 2HG2 VAL 21 -4.920 -5.723 -2.287 143 3HG2 VAL 21 3HG2 VAL 21 -3.804 -5.146 -1.025 144 H ALA 22 H ALA 22 -8.496 -6.736 2.009 145 HA ALA 22 HA ALA 22 -10.702 -5.259 0.839 146 1HB ALA 22 1HB ALA 22 -10.890 -6.881 3.366 147 2HB ALA 22 2HB ALA 22 -12.064 -6.703 2.040 148 3HB ALA 22 3HB ALA 22 -10.624 -7.725 1.821 149 H GLY 23 H GLY 23 -11.642 -3.435 1.725 150 1HA GLY 23 1HA GLY 23 -10.565 -2.509 4.314 151 2HA GLY 23 2HA GLY 23 -10.585 -1.457 2.913 152 H ALA 24 H ALA 24 -12.475 -2.929 5.481 153 HA ALA 24 HA ALA 24 -14.933 -1.787 4.376 154 1HB ALA 24 1HB ALA 24 -14.386 -3.778 6.612 155 2HB ALA 24 2HB ALA 24 -16.001 -3.155 6.200 156 3HB ALA 24 3HB ALA 24 -15.091 -4.120 5.015 157 H GLY 25 H GLY 25 -15.697 0.121 5.142 158 1HA GLY 25 1HA GLY 25 -16.261 1.582 6.874 159 2HA GLY 25 2HA GLY 25 -14.977 0.927 7.868 160 H LEU 26 H LEU 26 -14.157 1.501 4.509 161 HA LEU 26 HA LEU 26 -12.424 3.668 5.364 162 1HB LEU 26 1HB LEU 26 -11.933 1.524 3.873 163 2HB LEU 26 2HB LEU 26 -12.416 2.636 2.581 164 HG LEU 26 HG LEU 26 -10.121 2.887 2.638 165 1HD1 LEU 26 1HD1 LEU 26 -9.753 5.048 4.175 166 2HD1 LEU 26 2HD1 LEU 26 -10.644 5.093 2.637 167 3HD1 LEU 26 3HD1 LEU 26 -11.532 5.006 4.176 168 1HD2 LEU 26 1HD2 LEU 26 -10.296 1.742 5.178 169 2HD2 LEU 26 2HD2 LEU 26 -8.816 2.173 4.288 170 3HD2 LEU 26 3HD2 LEU 26 -9.525 3.326 5.444 171 H GLN 27 H GLN 27 -12.495 4.510 2.351 172 HA GLN 27 HA GLN 27 -14.311 6.617 2.806 173 1HB GLN 27 1HB GLN 27 -12.130 6.049 1.065 174 2HB GLN 27 2HB GLN 27 -13.515 6.436 0.030 175 1HG GLN 27 1HG GLN 27 -12.937 8.598 0.418 176 2HG GLN 27 2HG GLN 27 -13.709 8.376 1.995 177 1HE2 GLN 27 1HE2 GLN 27 -10.782 8.752 0.221 178 2HE2 GLN 27 2HE2 GLN 27 -9.671 8.833 1.547 179 H ALA 28 H ALA 28 -16.358 5.495 3.118 180 HA ALA 28 HA ALA 28 -17.414 3.772 1.160 181 1HB ALA 28 1HB ALA 28 -19.607 4.557 2.435 182 2HB ALA 28 2HB ALA 28 -18.402 3.529 3.246 183 3HB ALA 28 3HB ALA 28 -18.429 5.281 3.556 184 H GLY 29 H GLY 29 -18.034 4.276 -0.875 185 1HA GLY 29 1HA GLY 29 -19.374 5.405 -2.394 186 2HA GLY 29 2HA GLY 29 -19.463 6.787 -1.321 187 H THR 30 H THR 30 -16.371 6.445 -0.886 188 HA THR 30 HA THR 30 -15.666 8.100 -3.181 189 HB THR 30 HB THR 30 -13.523 7.839 -1.305 190 HG1 THR 30 1HG THR 30 -15.096 8.522 0.567 191 1HG2 THR 30 1HG2 THR 30 -14.343 9.971 -2.441 192 2HG2 THR 30 2HG2 THR 30 -15.742 9.950 -1.342 193 3HG2 THR 30 3HG2 THR 30 -14.099 10.143 -0.687 194 H ALA 31 H ALA 31 -13.123 7.759 -3.727 195 HA ALA 31 HA ALA 31 -12.594 4.914 -4.003 196 1HB ALA 31 1HB ALA 31 -13.911 6.267 -6.032 197 2HB ALA 31 2HB ALA 31 -12.204 6.386 -6.524 198 3HB ALA 31 3HB ALA 31 -12.935 4.790 -6.236 199 H TYR 32 H TYR 32 -10.335 4.484 -4.542 200 HA TYR 32 HA TYR 32 -8.571 6.785 -4.583 201 1HB TYR 32 1HB TYR 32 -7.385 5.175 -2.666 202 2HB TYR 32 2HB TYR 32 -8.419 6.546 -2.250 203 HD1 TYR 32 1HD TYR 32 -9.326 3.165 -3.589 204 HD2 TYR 32 2HD TYR 32 -9.545 5.899 -0.306 205 HE1 TYR 32 1HE TYR 32 -10.903 1.587 -2.371 206 HE2 TYR 32 2HE TYR 32 -11.124 4.313 0.901 207 HH TYR 32 HH TYR 32 -11.543 1.815 0.857 208 H ASP 33 H ASP 33 -6.148 5.493 -4.138 209 HA ASP 33 HA ASP 33 -6.235 3.387 -6.153 210 1HB ASP 33 1HB ASP 33 -4.397 5.755 -5.802 211 2HB ASP 33 2HB ASP 33 -3.754 4.282 -6.545 212 HD2 ASP 33 HD2 ASP 33 -6.564 6.248 -8.581 213 H VAL 34 H VAL 34 -5.477 1.452 -5.280 214 HA VAL 34 HA VAL 34 -4.264 1.442 -2.703 215 HB VAL 34 HB VAL 34 -5.864 -0.244 -3.908 216 1HG1 VAL 34 1HG1 VAL 34 -4.898 -2.025 -5.087 217 2HG1 VAL 34 2HG1 VAL 34 -4.068 -0.591 -5.740 218 3HG1 VAL 34 3HG1 VAL 34 -3.253 -1.624 -4.541 219 1HG2 VAL 34 1HG2 VAL 34 -4.245 -0.332 -1.641 220 2HG2 VAL 34 2HG2 VAL 34 -5.580 -1.441 -2.036 221 3HG2 VAL 34 3HG2 VAL 34 -3.909 -1.869 -2.470 222 H GLY 35 H GLY 35 -2.145 1.681 -2.227 223 1HA GLY 35 1HA GLY 35 -0.112 0.572 -3.937 224 2HA GLY 35 2HA GLY 35 -0.175 2.323 -3.988 225 H GLN 36 H GLN 36 1.295 -0.258 -2.464 226 HA GLN 36 HA GLN 36 1.237 0.343 0.194 227 1HB GLN 36 1HB GLN 36 3.655 -0.641 -1.365 228 2HB GLN 36 2HB GLN 36 3.330 -0.914 0.355 229 1HG GLN 36 1HG GLN 36 1.780 -2.557 -0.068 230 2HG GLN 36 2HG GLN 36 1.190 -1.782 -1.546 231 1HE2 GLN 36 1HE2 GLN 36 3.122 -1.562 -3.217 232 2HE2 GLN 36 2HE2 GLN 36 3.935 -3.047 -3.580 233 H CYS 37 H CYS 37 1.205 2.630 0.542 234 HA CYS 37 HA CYS 37 3.556 4.087 -0.335 235 1HB CYS 37 1HB CYS 37 0.947 4.792 -0.274 236 2HB CYS 37 2HB CYS 37 1.484 5.457 1.271 237 H ALA 38 H ALA 38 5.006 5.092 1.188 238 HA ALA 38 HA ALA 38 4.748 5.344 3.860 239 1HB ALA 38 1HB ALA 38 6.276 3.023 4.203 240 2HB ALA 38 2HB ALA 38 4.582 3.257 4.694 241 3HB ALA 38 3HB ALA 38 4.958 2.522 3.118 242 H TRP 39 H TRP 39 6.955 5.521 4.982 243 HA TRP 39 HA TRP 39 8.694 6.912 3.277 244 1HB TRP 39 1HB TRP 39 9.182 5.839 6.055 245 2HB TRP 39 2HB TRP 39 10.143 7.065 5.230 246 HD1 TRP 39 HD TRP 39 6.484 7.607 4.611 247 HE1 TRP 39 1HE TRP 39 5.482 9.573 6.058 248 HE3 TRP 39 3HE TRP 39 10.483 8.056 7.723 249 HZ2 TRP 39 2HZ TRP 39 6.453 11.062 8.293 250 HZ3 TRP 39 3HZ TRP 39 10.374 9.790 9.509 251 HH2 TRP 39 HH TRP 39 8.449 11.264 9.822 252 H VAL 40 H VAL 40 9.277 5.517 1.525 253 HA VAL 40 HA VAL 40 10.530 2.992 2.176 254 HB VAL 40 HB VAL 40 8.965 3.839 0.132 255 1HG1 VAL 40 1HG1 VAL 40 10.875 5.272 -0.698 256 2HG1 VAL 40 2HG1 VAL 40 11.753 3.766 -1.059 257 3HG1 VAL 40 3HG1 VAL 40 10.215 4.122 -1.883 258 1HG2 VAL 40 1HG2 VAL 40 9.178 1.542 0.498 259 2HG2 VAL 40 2HG2 VAL 40 9.935 1.765 -1.098 260 3HG2 VAL 40 3HG2 VAL 40 10.952 1.579 0.352 261 H ASP 41 H ASP 41 11.378 6.277 0.994 262 HA ASP 41 HA ASP 41 14.119 5.485 0.721 263 1HB ASP 41 1HB ASP 41 12.677 7.264 -0.643 264 2HB ASP 41 2HB ASP 41 13.186 8.358 0.653 265 HD2 ASP 41 HD2 ASP 41 16.599 7.458 -0.595 266 H THR 42 H THR 42 15.104 8.210 1.594 267 HA THR 42 HA THR 42 15.394 7.617 4.388 268 HB THR 42 HB THR 42 16.447 9.720 2.446 269 HG1 THR 42 1HG THR 42 17.273 7.472 2.522 270 1HG2 THR 42 1HG2 THR 42 16.739 11.034 4.347 271 2HG2 THR 42 2HG2 THR 42 16.541 9.651 5.449 272 3HG2 THR 42 3HG2 THR 42 18.094 9.911 4.619 273 H GLY 43 H GLY 43 13.023 7.706 4.853 274 1HA GLY 43 1HA GLY 43 11.454 8.790 6.079 275 2HA GLY 43 2HA GLY 43 12.429 10.245 6.045 276 H VAL 44 H VAL 44 11.758 8.664 2.967 277 HA VAL 44 HA VAL 44 9.931 10.868 2.335 278 HB VAL 44 HB VAL 44 11.377 9.103 0.372 279 1HG1 VAL 44 1HG1 VAL 44 9.683 10.381 -0.676 280 2HG1 VAL 44 2HG1 VAL 44 10.088 11.840 0.262 281 3HG1 VAL 44 3HG1 VAL 44 11.201 11.251 -0.996 282 1HG2 VAL 44 1HG2 VAL 44 13.118 9.971 1.805 283 2HG2 VAL 44 2HG2 VAL 44 13.140 10.866 0.265 284 3HG2 VAL 44 3HG2 VAL 44 12.432 11.611 1.719 285 H LEU 45 H LEU 45 7.824 10.303 2.513 286 HA LEU 45 HA LEU 45 6.994 7.613 2.521 287 1HB LEU 45 1HB LEU 45 5.823 9.260 3.765 288 2HB LEU 45 2HB LEU 45 5.503 10.229 2.315 289 HG LEU 45 HG LEU 45 4.461 7.459 2.265 290 1HD1 LEU 45 1HD1 LEU 45 2.650 7.787 3.770 291 2HD1 LEU 45 2HD1 LEU 45 4.143 8.175 4.659 292 3HD1 LEU 45 3HD1 LEU 45 3.101 9.483 4.054 293 1HD2 LEU 45 1HD2 LEU 45 3.658 10.180 1.332 294 2HD2 LEU 45 2HD2 LEU 45 3.728 8.635 0.451 295 3HD2 LEU 45 3HD2 LEU 45 2.388 8.956 1.577 296 H ALA 46 H ALA 46 7.906 6.694 0.584 297 HA ALA 46 HA ALA 46 6.841 7.733 -1.918 298 1HB ALA 46 1HB ALA 46 9.191 7.268 -1.941 299 2HB ALA 46 2HB ALA 46 8.948 5.672 -1.187 300 3HB ALA 46 3HB ALA 46 8.410 5.959 -2.859 301 H CYS 47 H CYS 47 5.499 6.505 -3.313 302 HA CYS 47 HA CYS 47 4.026 4.444 -1.891 303 1HB CYS 47 1HB CYS 47 3.391 5.897 -4.461 304 2HB CYS 47 2HB CYS 47 2.346 4.721 -3.661 305 H ASN 48 H ASN 48 3.495 2.401 -3.083 306 HA ASN 48 HA ASN 48 5.799 1.587 -4.602 307 1HB ASN 48 1HB ASN 48 3.614 0.248 -3.052 308 2HB ASN 48 2HB ASN 48 4.249 -0.670 -4.426 309 1HD2 ASN 48 1HD2 ASN 48 4.944 0.834 -1.351 310 2HD2 ASN 48 2HD2 ASN 48 6.445 0.034 -1.016 311 HA PRO 49 HA PRO 49 3.203 2.094 -8.177 312 1HB PRO 49 1HB PRO 49 5.173 1.854 -10.055 313 2HB PRO 49 2HB PRO 49 4.758 3.384 -9.283 314 1HG PRO 49 1HG PRO 49 7.040 1.578 -8.805 315 2HG PRO 49 2HG PRO 49 6.880 3.322 -8.381 316 1HD PRO 49 1HD PRO 49 6.708 1.045 -6.651 317 2HD PRO 49 2HD PRO 49 6.384 2.728 -6.217 318 H ALA 50 H ALA 50 4.320 -0.549 -6.822 319 HA ALA 50 HA ALA 50 3.672 -2.230 -9.136 320 1HB ALA 50 1HB ALA 50 4.737 -3.488 -6.681 321 2HB ALA 50 2HB ALA 50 5.238 -3.685 -8.378 322 3HB ALA 50 3HB ALA 50 5.831 -2.299 -7.431 323 H ASP 51 H ASP 51 2.325 -0.811 -6.368 324 HA ASP 51 HA ASP 51 0.520 -3.069 -6.024 325 1HB ASP 51 1HB ASP 51 1.516 -2.442 -3.934 326 2HB ASP 51 2HB ASP 51 1.263 -0.718 -4.240 327 HD2 ASP 51 HD2 ASP 51 -2.148 -2.555 -3.448 328 H PHE 52 H PHE 52 0.932 0.045 -7.421 329 HA PHE 52 HA PHE 52 -1.337 1.436 -7.006 330 1HB PHE 52 1HB PHE 52 0.583 0.899 -9.251 331 2HB PHE 52 2HB PHE 52 -0.934 1.648 -9.758 332 HD1 PHE 52 1HD PHE 52 -0.153 3.781 -10.380 333 HD2 PHE 52 2HD PHE 52 0.846 2.228 -6.560 334 HE1 PHE 52 1HE PHE 52 0.746 6.024 -9.704 335 HE2 PHE 52 2HE PHE 52 1.745 4.473 -5.882 336 HZ PHE 52 HZ PHE 52 1.684 6.342 -7.463 337 H SER 53 H SER 53 -3.437 0.781 -6.967 338 HA SER 53 HA SER 53 -4.436 -0.528 -9.309 339 1HB SER 53 1HB SER 53 -3.737 -2.090 -7.073 340 2HB SER 53 2HB SER 53 -5.500 -1.925 -6.972 341 HG SER 53 HG SER 53 -5.614 -3.396 -8.510 342 H SER 54 H SER 54 -5.751 1.303 -9.673 343 HA SER 54 HA SER 54 -7.059 2.701 -7.719 344 1HB SER 54 1HB SER 54 -8.137 3.824 -9.458 345 2HB SER 54 2HB SER 54 -6.707 3.174 -10.279 346 HG SER 54 HG SER 54 -9.439 2.522 -10.570 347 H VAL 55 H VAL 55 -8.926 2.363 -6.528 348 HA VAL 55 HA VAL 55 -10.938 0.555 -7.502 349 HB VAL 55 HB VAL 55 -8.978 -0.202 -5.404 350 1HG1 VAL 55 1HG1 VAL 55 -11.043 0.121 -4.090 351 2HG1 VAL 55 2HG1 VAL 55 -11.911 -0.968 -5.197 352 3HG1 VAL 55 3HG1 VAL 55 -10.580 -1.595 -4.195 353 1HG2 VAL 55 1HG2 VAL 55 -8.712 -1.735 -7.023 354 2HG2 VAL 55 2HG2 VAL 55 -10.196 -2.478 -6.376 355 3HG2 VAL 55 3HG2 VAL 55 -10.288 -1.367 -7.763 356 H THR 56 H THR 56 -12.855 0.546 -5.968 357 HA THR 56 HA THR 56 -12.885 3.051 -4.414 358 HB THR 56 HB THR 56 -14.162 2.771 -6.771 359 HG1 THR 56 1HG THR 56 -15.466 4.431 -5.847 360 1HG2 THR 56 1HG2 THR 56 -16.519 2.134 -6.392 361 2HG2 THR 56 2HG2 THR 56 -15.478 0.745 -6.000 362 3HG2 THR 56 3HG2 THR 56 -16.164 1.739 -4.692 363 H ALA 57 H ALA 57 -14.729 3.076 -2.764 364 HA ALA 57 HA ALA 57 -14.706 0.448 -1.457 365 1HB ALA 57 1HB ALA 57 -13.852 2.898 -0.534 366 2HB ALA 57 2HB ALA 57 -15.516 2.829 0.097 367 3HB ALA 57 3HB ALA 57 -14.357 1.540 0.499 368 H ASP 58 H ASP 58 -16.596 -0.659 -1.268 369 HA ASP 58 HA ASP 58 -18.830 0.092 -2.602 370 1HB ASP 58 1HB ASP 58 -18.878 -1.570 -0.056 371 2HB ASP 58 2HB ASP 58 -19.950 -1.723 -1.457 372 HD2 ASP 58 HD2 ASP 58 -16.711 -2.983 -2.974 373 H ALA 59 H ALA 59 -21.082 0.580 -1.607 374 HA ALA 59 HA ALA 59 -21.248 2.937 -0.388 375 1HB ALA 59 1HB ALA 59 -22.996 0.888 -1.089 376 2HB ALA 59 2HB ALA 59 -23.274 1.085 0.658 377 3HB ALA 59 3HB ALA 59 -23.458 2.478 -0.432 378 H ASN 60 H ASN 60 -20.783 -0.241 1.244 379 HA ASN 60 HA ASN 60 -20.792 1.060 3.795 380 1HB ASN 60 1HB ASN 60 -21.486 -1.457 2.994 381 2HB ASN 60 2HB ASN 60 -19.825 -1.771 3.518 382 1HD2 ASN 60 1HD2 ASN 60 -19.964 -2.716 5.414 383 2HD2 ASN 60 2HD2 ASN 60 -20.861 -2.166 6.789 384 H GLY 61 H GLY 61 -18.761 2.003 1.951 385 1HA GLY 61 1HA GLY 61 -16.527 2.201 1.637 386 2HA GLY 61 2HA GLY 61 -16.502 2.188 3.388 387 H SER 62 H SER 62 -17.198 -0.414 0.945 388 HA SER 62 HA SER 62 -15.135 -1.967 2.297 389 1HB SER 62 1HB SER 62 -17.619 -2.824 0.769 390 2HB SER 62 2HB SER 62 -16.367 -3.964 1.295 391 HG SER 62 HG SER 62 -17.611 -2.165 3.164 392 H ALA 63 H ALA 63 -13.250 -1.711 1.117 393 HA ALA 63 HA ALA 63 -13.499 -1.834 -1.806 394 1HB ALA 63 1HB ALA 63 -12.494 0.224 -1.092 395 2HB ALA 63 2HB ALA 63 -11.426 -0.619 0.054 396 3HB ALA 63 3HB ALA 63 -11.175 -0.803 -1.699 397 H SER 64 H SER 64 -13.381 -3.980 -2.367 398 HA SER 64 HA SER 64 -11.379 -5.561 -0.989 399 1HB SER 64 1HB SER 64 -12.521 -7.505 -2.014 400 2HB SER 64 2HB SER 64 -13.645 -6.510 -1.071 401 HG SER 64 HG SER 64 -13.331 -6.612 -3.946 402 H THR 65 H THR 65 -9.505 -4.655 -2.082 403 HA THR 65 HA THR 65 -9.396 -5.281 -4.958 404 HB THR 65 HB THR 65 -9.164 -2.864 -4.349 405 HG1 THR 65 1HG THR 65 -6.633 -4.210 -4.976 406 1HG2 THR 65 1HG2 THR 65 -7.986 -3.479 -2.055 407 2HG2 THR 65 2HG2 THR 65 -6.512 -3.579 -3.050 408 3HG2 THR 65 3HG2 THR 65 -7.422 -2.052 -2.956 409 H SER 66 H SER 66 -8.355 -7.094 -5.465 410 HA SER 66 HA SER 66 -6.549 -8.180 -3.515 411 1HB SER 66 1HB SER 66 -6.751 -10.210 -4.662 412 2HB SER 66 2HB SER 66 -8.338 -9.469 -4.929 413 HG SER 66 HG SER 66 -7.941 -9.375 -7.033 414 H LEU 67 H LEU 67 -4.295 -8.389 -3.785 415 HA LEU 67 HA LEU 67 -3.067 -7.906 -6.303 416 1HB LEU 67 1HB LEU 67 -3.709 -5.637 -4.799 417 2HB LEU 67 2HB LEU 67 -1.971 -5.891 -4.561 418 HG LEU 67 HG LEU 67 -3.438 -5.532 -7.189 419 1HD1 LEU 67 1HD1 LEU 67 -3.100 -3.488 -5.811 420 2HD1 LEU 67 2HD1 LEU 67 -1.345 -3.776 -5.881 421 3HD1 LEU 67 3HD1 LEU 67 -2.254 -3.450 -7.377 422 1HD2 LEU 67 1HD2 LEU 67 -1.315 -5.711 -8.314 423 2HD2 LEU 67 2HD2 LEU 67 -0.467 -5.952 -6.769 424 3HD2 LEU 67 3HD2 LEU 67 -1.601 -7.191 -7.365 425 H THR 68 H THR 68 -0.515 -7.671 -5.826 426 HA THR 68 HA THR 68 0.028 -9.715 -3.781 427 HB THR 68 HB THR 68 0.477 -10.228 -6.239 428 HG1 THR 68 1HG THR 68 2.023 -11.399 -5.176 429 1HG2 THR 68 1HG2 THR 68 2.792 -8.268 -5.864 430 2HG2 THR 68 2HG2 THR 68 2.365 -9.174 -7.336 431 3HG2 THR 68 3HG2 THR 68 1.324 -7.843 -6.777 432 H VAL 69 H VAL 69 1.415 -9.355 -2.122 433 HA VAL 69 HA VAL 69 2.266 -6.600 -1.810 434 HB VAL 69 HB VAL 69 2.472 -8.933 0.101 435 1HG1 VAL 69 1HG1 VAL 69 2.743 -7.294 1.824 436 2HG1 VAL 69 2HG1 VAL 69 3.904 -6.904 0.534 437 3HG1 VAL 69 3HG1 VAL 69 2.403 -5.960 0.696 438 1HG2 VAL 69 1HG2 VAL 69 0.149 -7.338 -0.753 439 2HG2 VAL 69 2HG2 VAL 69 0.223 -8.895 0.107 440 3HG2 VAL 69 3HG2 VAL 69 0.397 -7.370 1.010 441 H ARG 70 H ARG 70 3.947 -6.478 -3.398 442 HA ARG 70 HA ARG 70 6.104 -8.347 -3.083 443 1HB ARG 70 1HB ARG 70 5.281 -6.280 -5.092 444 2HB ARG 70 2HB ARG 70 7.018 -6.607 -4.973 445 1HG ARG 70 1HG ARG 70 6.364 -9.105 -5.140 446 2HG ARG 70 2HG ARG 70 4.771 -8.536 -5.665 447 1HD ARG 70 1HD ARG 70 5.619 -7.624 -7.656 448 2HD ARG 70 2HD ARG 70 7.262 -7.467 -7.016 449 HE ARG 70 HE ARG 70 6.091 -9.808 -8.299 450 1HH1 ARG 70 1HH1 ARG 70 8.508 -8.757 -5.969 451 2HH1 ARG 70 2HH1 ARG 70 9.495 -10.169 -6.165 452 1HH2 ARG 70 1HH2 ARG 70 7.391 -11.670 -8.559 453 2HH2 ARG 70 2HH2 ARG 70 8.855 -11.835 -7.647 454 H ARG 71 H ARG 71 6.451 -7.452 -0.780 455 HA ARG 71 HA ARG 71 7.056 -5.006 -0.057 456 1HB ARG 71 1HB ARG 71 7.329 -7.345 1.158 457 2HB ARG 71 2HB ARG 71 9.037 -7.165 0.721 458 1HG ARG 71 1HG ARG 71 8.768 -4.766 1.764 459 2HG ARG 71 2HG ARG 71 7.333 -5.449 2.549 460 1HD ARG 71 1HD ARG 71 10.244 -6.242 2.855 461 2HD ARG 71 2HD ARG 71 9.084 -5.808 4.123 462 HE ARG 71 HE ARG 71 8.426 -8.225 2.560 463 1HH1 ARG 71 1HH1 ARG 71 9.932 -6.917 5.459 464 2HH1 ARG 71 2HH1 ARG 71 9.850 -8.412 6.331 465 1HH2 ARG 71 1HH2 ARG 71 8.316 -10.198 3.709 466 2HH2 ARG 71 2HH2 ARG 71 8.925 -10.290 5.329 467 H SER 72 H SER 72 8.964 -7.046 -2.247 468 HA SER 72 HA SER 72 11.124 -5.118 -2.185 469 1HB SER 72 1HB SER 72 10.871 -7.832 -3.540 470 2HB SER 72 2HB SER 72 12.318 -6.811 -3.615 471 HG SER 72 HG SER 72 12.670 -8.263 -1.944 472 H PHE 73 H PHE 73 10.890 -3.394 -3.561 473 HA PHE 73 HA PHE 73 10.625 -3.748 -6.307 474 1HB PHE 73 1HB PHE 73 8.204 -4.057 -4.982 475 2HB PHE 73 2HB PHE 73 8.193 -2.313 -5.264 476 HD1 PHE 73 1HD PHE 73 8.477 -1.509 -7.667 477 HD2 PHE 73 2HD PHE 73 7.622 -5.545 -6.678 478 HE1 PHE 73 1HE PHE 73 7.660 -1.909 -10.006 479 HE2 PHE 73 2HE PHE 73 6.805 -5.945 -9.018 480 HZ PHE 73 HZ PHE 73 6.833 -4.122 -10.653 481 H GLU 74 H GLU 74 10.403 -1.588 -7.466 482 HA GLU 74 HA GLU 74 11.942 0.298 -6.025 483 1HB GLU 74 1HB GLU 74 12.367 -0.032 -8.379 484 2HB GLU 74 2HB GLU 74 10.688 0.346 -8.802 485 1HG GLU 74 1HG GLU 74 11.378 2.604 -7.427 486 2HG GLU 74 2HG GLU 74 12.953 2.166 -8.109 487 HE2 GLU 74 HE2 GLU 74 10.101 2.670 -10.851 488 H GLY 75 H GLY 75 11.247 2.044 -4.851 489 1HA GLY 75 1HA GLY 75 8.369 2.537 -4.746 490 2HA GLY 75 2HA GLY 75 9.591 3.099 -3.624 491 H PHE 76 H PHE 76 7.768 4.961 -4.425 492 HA PHE 76 HA PHE 76 9.387 6.645 -6.180 493 1HB PHE 76 1HB PHE 76 7.676 6.587 -7.720 494 2HB PHE 76 2HB PHE 76 6.810 5.430 -6.700 495 HD1 PHE 76 1HD PHE 76 7.459 9.102 -6.942 496 HD2 PHE 76 2HD PHE 76 4.714 6.023 -5.945 497 HE1 PHE 76 1HE PHE 76 5.680 10.822 -6.525 498 HE2 PHE 76 2HE PHE 76 2.936 7.745 -5.524 499 HZ PHE 76 HZ PHE 76 3.440 10.124 -5.820 500 H LEU 77 H LEU 77 9.944 8.451 -5.067 501 HA LEU 77 HA LEU 77 8.844 9.101 -2.601 502 1HB LEU 77 1HB LEU 77 10.277 10.951 -4.494 503 2HB LEU 77 2HB LEU 77 10.164 11.089 -2.732 504 HG LEU 77 HG LEU 77 11.636 8.941 -4.283 505 1HD1 LEU 77 1HD1 LEU 77 13.643 10.033 -3.149 506 2HD1 LEU 77 2HD1 LEU 77 12.893 10.915 -4.501 507 3HD1 LEU 77 3HD1 LEU 77 12.567 11.413 -2.825 508 1HD2 LEU 77 1HD2 LEU 77 12.389 9.039 -1.534 509 2HD2 LEU 77 2HD2 LEU 77 10.618 8.894 -1.628 510 3HD2 LEU 77 3HD2 LEU 77 11.653 7.700 -2.448 511 H PHE 78 H PHE 78 7.141 10.354 -1.931 512 HA PHE 78 HA PHE 78 4.997 10.749 -3.561 513 1HB PHE 78 1HB PHE 78 4.149 11.921 -1.656 514 2HB PHE 78 2HB PHE 78 5.431 10.934 -0.946 515 HD1 PHE 78 1HD PHE 78 4.500 14.329 -2.031 516 HD2 PHE 78 2HD PHE 78 7.373 11.957 -0.002 517 HE1 PHE 78 1HE PHE 78 5.571 16.407 -1.116 518 HE2 PHE 78 2HE PHE 78 8.444 14.033 0.913 519 HZ PHE 78 HZ PHE 78 7.530 16.235 0.344 520 H ASP 79 H ASP 79 7.874 12.794 -3.130 521 HA ASP 79 HA ASP 79 6.980 15.201 -3.910 522 1HB ASP 79 1HB ASP 79 9.445 13.963 -3.592 523 2HB ASP 79 2HB ASP 79 9.472 14.407 -5.306 524 HD2 ASP 79 HD2 ASP 79 10.686 17.107 -3.064 525 H GLY 80 H GLY 80 8.112 12.455 -6.018 526 1HA GLY 80 1HA GLY 80 6.342 12.353 -7.961 527 2HA GLY 80 2HA GLY 80 7.153 13.842 -8.408 528 H THR 81 H THR 81 9.706 12.590 -7.012 529 HA THR 81 HA THR 81 10.630 11.307 -9.457 530 HB THR 81 HB THR 81 11.945 12.463 -6.954 531 HG1 THR 81 1HG THR 81 11.106 13.777 -8.829 532 1HG2 THR 81 1HG2 THR 81 13.201 11.033 -9.353 533 2HG2 THR 81 2HG2 THR 81 14.106 12.094 -8.244 534 3HG2 THR 81 3HG2 THR 81 13.378 10.586 -7.638 535 H ARG 82 H ARG 82 11.523 9.238 -9.591 536 HA ARG 82 HA ARG 82 10.368 7.465 -7.681 537 1HB ARG 82 1HB ARG 82 12.102 6.950 -10.142 538 2HB ARG 82 2HB ARG 82 11.285 5.681 -9.214 539 1HG ARG 82 1HG ARG 82 9.199 6.249 -10.021 540 2HG ARG 82 2HG ARG 82 9.598 7.970 -10.184 541 1HD ARG 82 1HD ARG 82 9.466 7.254 -12.418 542 2HD ARG 82 2HD ARG 82 11.205 7.148 -12.105 543 HE ARG 82 HE ARG 82 9.708 4.689 -11.520 544 1HH1 ARG 82 1HH1 ARG 82 11.475 6.501 -13.963 545 2HH1 ARG 82 2HH1 ARG 82 11.829 5.106 -14.925 546 1HH2 ARG 82 1HH2 ARG 82 10.174 2.846 -12.789 547 2HH2 ARG 82 2HH2 ARG 82 11.085 3.013 -14.253 548 H TRP 83 H TRP 83 11.503 6.155 -6.175 549 HA TRP 83 HA TRP 83 14.324 6.887 -5.836 550 1HB TRP 83 1HB TRP 83 12.944 7.494 -3.971 551 2HB TRP 83 2HB TRP 83 12.267 5.867 -3.871 552 HD1 TRP 83 HD TRP 83 13.279 4.797 -1.713 553 HE1 TRP 83 1HE TRP 83 15.631 4.553 -0.542 554 HE3 TRP 83 3HE TRP 83 15.818 7.703 -5.025 555 HZ2 TRP 83 2HZ TRP 83 18.231 5.579 -1.119 556 HZ3 TRP 83 3HZ TRP 83 18.260 8.031 -4.649 557 HH2 TRP 83 HH TRP 83 19.466 7.025 -2.776 558 H GLY 84 H GLY 84 12.596 4.055 -4.482 559 1HA GLY 84 1HA GLY 84 12.878 2.021 -6.113 560 2HA GLY 84 2HA GLY 84 14.570 2.309 -5.758 561 H THR 85 H THR 85 15.444 1.749 -3.730 562 HA THR 85 HA THR 85 15.509 0.928 -1.645 563 HB THR 85 HB THR 85 12.449 0.971 -1.689 564 HG1 THR 85 1HG THR 85 13.939 2.988 -2.160 565 1HG2 THR 85 1HG2 THR 85 14.590 0.848 0.474 566 2HG2 THR 85 2HG2 THR 85 12.996 1.563 0.811 567 3HG2 THR 85 3HG2 THR 85 13.119 -0.143 0.320 568 H VAL 86 H VAL 86 12.803 -0.549 -3.553 569 HA VAL 86 HA VAL 86 12.502 -2.636 -4.226 570 HB VAL 86 HB VAL 86 15.337 -3.113 -3.285 571 1HG1 VAL 86 1HG1 VAL 86 15.221 -4.976 -5.012 572 2HG1 VAL 86 2HG1 VAL 86 14.294 -5.235 -3.516 573 3HG1 VAL 86 3HG1 VAL 86 13.456 -4.747 -5.009 574 1HG2 VAL 86 1HG2 VAL 86 15.905 -2.840 -5.703 575 2HG2 VAL 86 2HG2 VAL 86 14.238 -2.290 -5.992 576 3HG2 VAL 86 3HG2 VAL 86 15.314 -1.349 -4.931 577 H ASP 87 H ASP 87 14.658 -4.160 -1.945 578 HA ASP 87 HA ASP 87 12.624 -5.518 -0.717 579 1HB ASP 87 1HB ASP 87 15.379 -5.583 -0.700 580 2HB ASP 87 2HB ASP 87 15.044 -5.024 0.948 581 HD2 ASP 87 HD2 ASP 87 14.005 -8.732 -0.058 582 H CYS 88 H CYS 88 10.970 -4.150 0.167 583 HA CYS 88 HA CYS 88 11.749 -1.983 1.891 584 1HB CYS 88 1HB CYS 88 9.933 -1.546 0.448 585 2HB CYS 88 2HB CYS 88 9.089 -3.022 0.921 586 H THR 89 H THR 89 12.841 -4.237 2.972 587 HA THR 89 HA THR 89 10.939 -5.359 4.875 588 HB THR 89 HB THR 89 12.504 -6.849 3.627 589 HG1 THR 89 1HG THR 89 11.933 -7.365 5.849 590 1HG2 THR 89 1HG2 THR 89 14.503 -5.563 3.256 591 2HG2 THR 89 2HG2 THR 89 14.578 -5.051 4.958 592 3HG2 THR 89 3HG2 THR 89 14.958 -6.733 4.517 593 H THR 90 H THR 90 13.219 -2.764 4.625 594 HA THR 90 HA THR 90 13.696 -2.712 7.492 595 HB THR 90 HB THR 90 15.502 -2.212 5.805 596 HG1 THR 90 1HG THR 90 16.074 -0.257 6.997 597 1HG2 THR 90 1HG2 THR 90 13.858 -0.952 4.208 598 2HG2 THR 90 2HG2 THR 90 14.014 0.408 5.344 599 3HG2 THR 90 3HG2 THR 90 15.449 -0.204 4.490 600 H ALA 91 H ALA 91 12.085 -0.673 4.971 601 HA ALA 91 HA ALA 91 10.893 0.895 7.105 602 1HB ALA 91 1HB ALA 91 10.106 1.421 4.307 603 2HB ALA 91 2HB ALA 91 10.755 2.527 5.542 604 3HB ALA 91 3HB ALA 91 11.860 1.503 4.595 605 H ALA 92 H ALA 92 8.638 1.000 7.503 606 HA ALA 92 HA ALA 92 7.257 -1.432 6.850 607 1HB ALA 92 1HB ALA 92 6.799 -0.795 9.023 608 2HB ALA 92 2HB ALA 92 6.866 0.942 8.644 609 3HB ALA 92 3HB ALA 92 5.432 -0.012 8.195 610 H CYS 93 H CYS 93 6.215 -1.708 4.947 611 HA CYS 93 HA CYS 93 5.437 0.647 3.467 612 1HB CYS 93 1HB CYS 93 4.713 -1.938 2.325 613 2HB CYS 93 2HB CYS 93 5.638 -0.601 1.631 614 H GLN 94 H GLN 94 3.373 1.468 3.585 615 HA GLN 94 HA GLN 94 1.404 -0.198 4.909 616 1HB GLN 94 1HB GLN 94 1.537 2.783 4.334 617 2HB GLN 94 2HB GLN 94 0.115 2.003 5.049 618 1HG GLN 94 1HG GLN 94 1.146 1.701 7.072 619 2HG GLN 94 2HG GLN 94 2.726 1.369 6.349 620 1HE2 GLN 94 1HE2 GLN 94 3.155 2.782 8.329 621 2HE2 GLN 94 2HE2 GLN 94 3.296 4.486 8.057 622 H VAL 95 H VAL 95 0.055 -1.371 3.623 623 HA VAL 95 HA VAL 95 -0.346 -0.481 0.889 624 HB VAL 95 HB VAL 95 -1.516 -2.964 2.086 625 1HG1 VAL 95 1HG1 VAL 95 -0.608 -2.027 -0.622 626 2HG1 VAL 95 2HG1 VAL 95 -0.654 -3.768 -0.261 627 3HG1 VAL 95 3HG1 VAL 95 -2.140 -2.794 -0.138 628 1HG2 VAL 95 1HG2 VAL 95 0.521 -3.539 2.874 629 2HG2 VAL 95 2HG2 VAL 95 0.886 -3.870 1.164 630 3HG2 VAL 95 3HG2 VAL 95 1.363 -2.317 1.891 631 H GLY 96 H GLY 96 -2.061 0.744 0.319 632 1HA GLY 96 1HA GLY 96 -4.678 0.238 1.307 633 2HA GLY 96 2HA GLY 96 -3.989 1.648 2.086 634 H LEU 97 H LEU 97 -6.181 2.163 0.601 635 HA LEU 97 HA LEU 97 -5.173 3.069 -1.999 636 1HB LEU 97 1HB LEU 97 -8.025 2.812 -1.077 637 2HB LEU 97 2HB LEU 97 -7.450 3.133 -2.723 638 HG LEU 97 HG LEU 97 -6.236 0.755 -2.205 639 1HD1 LEU 97 1HD1 LEU 97 -8.911 0.607 -0.788 640 2HD1 LEU 97 2HD1 LEU 97 -7.799 -0.745 -1.108 641 3HD1 LEU 97 3HD1 LEU 97 -7.316 0.562 0.000 642 1HD2 LEU 97 1HD2 LEU 97 -7.502 1.340 -4.213 643 2HD2 LEU 97 2HD2 LEU 97 -7.965 -0.265 -3.599 644 3HD2 LEU 97 3HD2 LEU 97 -9.028 1.136 -3.320 645 H SER 98 H SER 98 -4.796 5.200 -2.324 646 HA SER 98 HA SER 98 -5.733 6.967 -0.214 647 1HB SER 98 1HB SER 98 -3.873 8.340 -0.622 648 2HB SER 98 2HB SER 98 -3.218 6.708 -0.841 649 HG SER 98 HG SER 98 -3.220 8.763 -2.589 650 H ASP 99 H ASP 99 -6.509 9.166 -0.872 651 HA ASP 99 HA ASP 99 -8.435 9.000 -2.813 652 1HB ASP 99 1HB ASP 99 -7.179 11.659 -2.141 653 2HB ASP 99 2HB ASP 99 -8.896 11.252 -2.302 654 HD2 ASP 99 HD2 ASP 99 -8.124 11.747 1.204 655 H ALA 100 H ALA 100 -8.562 10.482 -4.841 656 HA ALA 100 HA ALA 100 -6.145 10.126 -6.366 657 1HB ALA 100 1HB ALA 100 -8.736 11.420 -7.265 658 2HB ALA 100 2HB ALA 100 -7.526 10.562 -8.248 659 3HB ALA 100 3HB ALA 100 -8.561 9.654 -7.120 660 H ALA 101 H ALA 101 -7.039 12.352 -4.110 661 HA ALA 101 HA ALA 101 -6.221 14.688 -5.639 662 1HB ALA 101 1HB ALA 101 -6.626 15.384 -2.948 663 2HB ALA 101 2HB ALA 101 -7.782 15.585 -4.286 664 3HB ALA 101 3HB ALA 101 -7.837 14.123 -3.274 665 H GLY 102 H GLY 102 -4.829 12.130 -3.871 666 1HA GLY 102 1HA GLY 102 -2.612 11.805 -3.443 667 2HA GLY 102 2HA GLY 102 -2.280 13.488 -3.800 668 H ASN 103 H ASN 103 -4.700 12.147 -1.473 669 HA ASN 103 HA ASN 103 -3.007 12.966 0.703 670 1HB ASN 103 1HB ASN 103 -5.821 14.076 0.258 671 2HB ASN 103 2HB ASN 103 -4.897 14.289 1.751 672 1HD2 ASN 103 1HD2 ASN 103 -5.809 15.726 -1.022 673 2HD2 ASN 103 2HD2 ASN 103 -4.525 16.860 -1.273 674 H GLY 104 H GLY 104 -3.909 12.104 2.828 675 1HA GLY 104 1HA GLY 104 -5.628 10.852 3.935 676 2HA GLY 104 2HA GLY 104 -5.958 10.012 2.433 677 HA PRO 105 HA PRO 105 -2.078 8.282 4.592 678 1HB PRO 105 1HB PRO 105 -2.325 8.117 7.306 679 2HB PRO 105 2HB PRO 105 -1.416 9.392 6.496 680 1HG PRO 105 1HG PRO 105 -4.089 9.469 7.743 681 2HG PRO 105 2HG PRO 105 -2.988 10.841 7.361 682 1HD PRO 105 1HD PRO 105 -5.358 10.024 5.979 683 2HD PRO 105 2HD PRO 105 -4.221 11.281 5.472 684 H GLU 106 H GLU 106 -4.031 7.047 3.346 685 HA GLU 106 HA GLU 106 -5.014 5.043 5.166 686 1HB GLU 106 1HB GLU 106 -5.832 6.167 2.621 687 2HB GLU 106 2HB GLU 106 -5.773 4.399 2.507 688 1HG GLU 106 1HG GLU 106 -7.953 4.819 3.286 689 2HG GLU 106 2HG GLU 106 -7.078 4.441 4.779 690 HE2 GLU 106 HE2 GLU 106 -8.349 7.433 5.932 691 H GLY 107 H GLY 107 -3.818 3.242 5.587 692 1HA GLY 107 1HA GLY 107 -2.864 1.471 3.724 693 2HA GLY 107 2HA GLY 107 -1.533 2.577 3.998 694 H VAL 108 H VAL 108 -2.197 -0.381 4.792 695 HA VAL 108 HA VAL 108 -1.794 -0.070 7.681 696 HB VAL 108 HB VAL 108 -3.741 -1.399 6.761 697 1HG1 VAL 108 1HG1 VAL 108 -1.491 -3.265 5.941 698 2HG1 VAL 108 2HG1 VAL 108 -3.202 -3.744 6.058 699 3HG1 VAL 108 3HG1 VAL 108 -2.704 -2.499 4.885 700 1HG2 VAL 108 1HG2 VAL 108 -1.788 -2.175 8.826 701 2HG2 VAL 108 2HG2 VAL 108 -3.556 -2.000 8.922 702 3HG2 VAL 108 3HG2 VAL 108 -2.845 -3.501 8.284 703 H ALA 109 H ALA 109 0.159 -0.558 8.571 704 HA ALA 109 HA ALA 109 2.353 -1.037 6.881 705 1HB ALA 109 1HB ALA 109 3.309 -0.176 8.722 706 2HB ALA 109 2HB ALA 109 1.807 -0.413 9.648 707 3HB ALA 109 3HB ALA 109 3.013 -1.720 9.561 708 H ILE 110 H ILE 110 2.058 -2.924 5.639 709 HA ILE 110 HA ILE 110 1.490 -5.388 7.043 710 HB ILE 110 HB ILE 110 1.016 -4.372 4.474 711 1HG1 ILE 110 1HG1 ILE 110 -0.201 -6.477 4.168 712 2HG1 ILE 110 2HG1 ILE 110 0.585 -7.152 5.608 713 1HG2 ILE 110 1HG2 ILE 110 2.028 -5.840 2.934 714 2HG2 ILE 110 2HG2 ILE 110 3.348 -5.251 3.974 715 3HG2 ILE 110 3HG2 ILE 110 2.677 -6.881 4.224 716 1HD1 ILE 110 1HD1 ILE 110 -0.396 -4.777 6.593 717 2HD1 ILE 110 2HD1 ILE 110 -1.630 -5.181 5.375 718 3HD1 ILE 110 3HD1 ILE 110 -1.262 -6.330 6.684 719 H SER 111 H SER 111 2.933 -7.356 6.340 720 HA SER 111 HA SER 111 5.393 -7.328 5.486 721 1HB SER 111 1HB SER 111 5.313 -5.797 8.014 722 2HB SER 111 2HB SER 111 6.556 -7.060 7.986 723 HG SER 111 HG SER 111 6.317 -4.677 6.462 724 H PHE 112 H PHE 112 4.112 -7.958 8.845 725 HA PHE 112 HA PHE 112 4.008 -10.775 8.250 726 1HB PHE 112 1HB PHE 112 5.658 -11.389 9.873 727 2HB PHE 112 2HB PHE 112 6.398 -9.987 9.093 728 HD1 PHE 112 1HD PHE 112 5.618 -11.462 12.166 729 HD2 PHE 112 2HD PHE 112 5.793 -7.677 10.256 730 HE1 PHE 112 1HE PHE 112 5.820 -10.343 14.403 731 HE2 PHE 112 2HE PHE 112 5.995 -6.557 12.493 732 HZ PHE 112 HZ PHE 112 6.006 -7.903 14.542 733 H ASN 113 H ASN 113 2.672 -11.949 9.738 734 HA ASN 113 HA ASN 113 0.613 -10.496 10.797 735 1HB ASN 113 1HB ASN 113 0.957 -13.095 10.286 736 2HB ASN 113 2HB ASN 113 1.370 -13.173 12.007 737 1HD2 ASN 113 1HD2 ASN 113 -0.552 -14.592 11.945 738 2HD2 ASN 113 2HD2 ASN 113 -2.117 -13.891 12.179 739 6H NCZ 130 6H NCZ 130 0.120 14.212 1.096 740 6H1 NCZ 130 6H1 NCZ 130 -1.423 11.760 1.397 741 5H1 NCZ 130 5H1 NCZ 130 0.256 12.258 3.378 742 4H1 NCZ 130 4H1 NCZ 130 2.719 11.767 2.243 743 5H NCZ 130 5H NCZ 130 2.262 12.655 -1.250 744 3H1 NCZ 130 3H1 NCZ 130 2.215 10.744 0.087 745 2H1 NCZ 130 2H1 NCZ 130 0.307 12.091 -0.854 746 2H NCZ 130 2H NCZ 130 -0.897 9.104 -4.090 747 8H NCZ 130 8H NCZ 130 -1.350 5.924 -4.053 748 7H NCZ 130 7H NCZ 130 -1.853 4.521 -2.082 749 3H NCZ 130 3H NCZ 130 -1.117 4.957 2.543 750 1H17 NCZ 130 1H17 NCZ 130 0.514 8.557 4.664 751 2H17 NCZ 130 2H17 NCZ 130 1.085 8.981 3.033 752 3H17 NCZ 130 3H17 NCZ 130 -0.639 9.143 3.444 753 1H18 NCZ 130 1H18 NCZ 130 -1.707 3.381 -0.661 754 2H18 NCZ 130 2H18 NCZ 130 -1.543 3.166 1.098 755 3H18 NCZ 130 3H18 NCZ 130 -3.000 3.938 0.428 756 1H NCZ 130 1H NCZ 130 0.400 8.574 0.934 Start of MODEL 16 1 H ALA 1 H ALA 1 -9.050 -8.151 12.427 2 HA ALA 1 HA ALA 1 -8.898 -8.967 10.156 3 1HB ALA 1 1HB ALA 1 -11.625 -7.630 9.983 4 2HB ALA 1 2HB ALA 1 -10.697 -8.189 8.572 5 3HB ALA 1 3HB ALA 1 -11.256 -9.362 9.789 6 H ALA 2 H ALA 2 -9.577 -6.025 11.882 7 HA ALA 2 HA ALA 2 -8.380 -4.127 11.869 8 1HB ALA 2 1HB ALA 2 -6.721 -5.714 10.390 9 2HB ALA 2 2HB ALA 2 -7.145 -4.470 9.188 10 3HB ALA 2 3HB ALA 2 -6.407 -3.996 10.736 11 HA PRO 3 HA PRO 3 -11.286 -1.942 9.500 12 1HB PRO 3 1HB PRO 3 -10.675 0.594 10.313 13 2HB PRO 3 2HB PRO 3 -11.709 -0.493 11.238 14 1HG PRO 3 1HG PRO 3 -8.895 0.278 11.677 15 2HG PRO 3 2HG PRO 3 -10.063 -0.420 12.854 16 1HD PRO 3 1HD PRO 3 -7.885 -1.718 11.525 17 2HD PRO 3 2HD PRO 3 -9.103 -2.488 12.550 18 H THR 4 H THR 4 -11.593 -0.379 7.751 19 HA THR 4 HA THR 4 -10.966 0.376 5.756 20 HB THR 4 HB THR 4 -9.373 2.061 5.904 21 HG1 THR 4 1HG THR 4 -7.292 1.340 6.194 22 1HG2 THR 4 1HG2 THR 4 -8.927 1.254 8.793 23 2HG2 THR 4 2HG2 THR 4 -9.135 2.883 8.106 24 3HG2 THR 4 3HG2 THR 4 -10.543 1.807 8.295 25 H ALA 5 H ALA 5 -9.222 0.197 3.928 26 HA ALA 5 HA ALA 5 -9.021 -2.445 3.248 27 1HB ALA 5 1HB ALA 5 -8.690 -1.109 1.427 28 2HB ALA 5 2HB ALA 5 -7.828 0.134 2.363 29 3HB ALA 5 3HB ALA 5 -6.974 -1.336 1.839 30 H THR 6 H THR 6 -7.849 -4.123 4.023 31 HA THR 6 HA THR 6 -5.147 -3.601 4.975 32 HB THR 6 HB THR 6 -5.890 -5.131 7.029 33 HG1 THR 6 1HG THR 6 -8.088 -5.215 5.863 34 1HG2 THR 6 1HG2 THR 6 -5.871 -3.215 8.308 35 2HG2 THR 6 2HG2 THR 6 -5.528 -2.379 6.773 36 3HG2 THR 6 3HG2 THR 6 -7.201 -2.483 7.375 37 H VAL 7 H VAL 7 -3.765 -5.415 4.899 38 HA VAL 7 HA VAL 7 -4.576 -7.306 2.919 39 HB VAL 7 HB VAL 7 -2.092 -6.660 4.456 40 1HG1 VAL 7 1HG1 VAL 7 -2.280 -9.137 4.498 41 2HG1 VAL 7 2HG1 VAL 7 -2.399 -9.135 2.720 42 3HG1 VAL 7 3HG1 VAL 7 -0.911 -8.563 3.514 43 1HG2 VAL 7 1HG2 VAL 7 -2.168 -5.363 2.553 44 2HG2 VAL 7 2HG2 VAL 7 -1.281 -6.781 1.944 45 3HG2 VAL 7 3HG2 VAL 7 -3.020 -6.603 1.603 46 H THR 8 H THR 8 -5.994 -8.894 3.465 47 HA THR 8 HA THR 8 -6.721 -9.808 5.861 48 HB THR 8 HB THR 8 -6.533 -10.917 3.099 49 HG1 THR 8 1HG THR 8 -8.797 -11.200 3.717 50 1HG2 THR 8 1HG2 THR 8 -7.300 -12.759 5.412 51 2HG2 THR 8 2HG2 THR 8 -7.159 -13.172 3.687 52 3HG2 THR 8 3HG2 THR 8 -5.696 -12.838 4.643 53 HA PRO 9 HA PRO 9 -3.148 -12.798 6.298 54 1HB PRO 9 1HB PRO 9 -1.235 -13.030 4.361 55 2HB PRO 9 2HB PRO 9 -2.645 -14.086 4.456 56 1HG PRO 9 1HG PRO 9 -2.092 -11.819 2.649 57 2HG PRO 9 2HG PRO 9 -3.269 -13.164 2.436 58 1HD PRO 9 1HD PRO 9 -3.786 -10.445 3.172 59 2HD PRO 9 2HD PRO 9 -4.959 -11.769 3.131 60 H SER 10 H SER 10 -0.356 -12.710 6.007 61 HA SER 10 HA SER 10 0.017 -10.249 7.453 62 1HB SER 10 1HB SER 10 1.911 -12.573 6.921 63 2HB SER 10 2HB SER 10 2.252 -11.212 8.005 64 HG SER 10 HG SER 10 1.249 -13.425 8.796 65 H SER 11 H SER 11 1.494 -12.042 4.652 66 HA SER 11 HA SER 11 2.720 -11.380 2.980 67 1HB SER 11 1HB SER 11 1.797 -9.742 1.607 68 2HB SER 11 2HB SER 11 0.422 -10.142 2.650 69 HG SER 11 HG SER 11 1.422 -8.267 4.022 70 H GLY 12 H GLY 12 4.179 -9.394 2.067 71 1HA GLY 12 1HA GLY 12 5.525 -7.547 2.613 72 2HA GLY 12 2HA GLY 12 5.330 -7.898 4.320 73 H LEU 13 H LEU 13 5.965 -10.539 4.644 74 HA LEU 13 HA LEU 13 8.787 -10.487 4.254 75 1HB LEU 13 1HB LEU 13 6.944 -12.598 5.365 76 2HB LEU 13 2HB LEU 13 8.715 -12.642 5.440 77 HG LEU 13 HG LEU 13 7.917 -10.166 6.549 78 1HD1 LEU 13 1HD1 LEU 13 6.215 -10.521 8.040 79 2HD1 LEU 13 2HD1 LEU 13 5.661 -11.523 6.676 80 3HD1 LEU 13 3HD1 LEU 13 6.456 -12.285 8.074 81 1HD2 LEU 13 1HD2 LEU 13 9.410 -10.757 8.100 82 2HD2 LEU 13 2HD2 LEU 13 8.568 -12.282 8.470 83 3HD2 LEU 13 3HD2 LEU 13 9.690 -12.198 7.090 84 H SER 14 H SER 14 6.176 -11.275 2.242 85 HA SER 14 HA SER 14 7.963 -12.948 0.663 86 1HB SER 14 1HB SER 14 6.247 -14.393 1.612 87 2HB SER 14 2HB SER 14 4.960 -13.304 1.065 88 HG SER 14 HG SER 14 6.682 -14.159 -0.976 89 H ASP 15 H ASP 15 8.609 -11.145 -0.633 90 HA ASP 15 HA ASP 15 6.830 -9.272 -1.614 91 1HB ASP 15 1HB ASP 15 8.701 -9.026 -3.431 92 2HB ASP 15 2HB ASP 15 9.098 -8.658 -1.746 93 HD2 ASP 15 HD2 ASP 15 10.775 -11.814 -3.481 94 H GLY 16 H GLY 16 5.065 -9.858 -2.908 95 1HA GLY 16 1HA GLY 16 4.512 -10.339 -5.223 96 2HA GLY 16 2HA GLY 16 5.605 -11.708 -5.154 97 H THR 17 H THR 17 3.765 -11.046 -2.238 98 HA THR 17 HA THR 17 2.259 -13.499 -2.689 99 HB THR 17 HB THR 17 2.496 -11.724 -0.206 100 HG1 THR 17 1HG THR 17 4.539 -12.611 -1.226 101 1HG2 THR 17 1HG2 THR 17 0.753 -13.757 -0.499 102 2HG2 THR 17 2HG2 THR 17 2.216 -14.734 -0.229 103 3HG2 THR 17 3HG2 THR 17 1.687 -13.566 1.006 104 H VAL 18 H VAL 18 0.271 -13.501 -3.511 105 HA VAL 18 HA VAL 18 -1.125 -11.025 -3.807 106 HB VAL 18 HB VAL 18 -2.361 -13.696 -4.315 107 1HG1 VAL 18 1HG1 VAL 18 -2.247 -11.206 -6.041 108 2HG1 VAL 18 2HG1 VAL 18 -3.350 -12.596 -6.194 109 3HG1 VAL 18 3HG1 VAL 18 -3.495 -11.494 -4.803 110 1HG2 VAL 18 1HG2 VAL 18 -1.090 -13.532 -6.609 111 2HG2 VAL 18 2HG2 VAL 18 0.109 -12.630 -5.652 112 3HG2 VAL 18 3HG2 VAL 18 -0.314 -14.299 -5.204 113 H VAL 19 H VAL 19 -2.413 -10.096 -2.310 114 HA VAL 19 HA VAL 19 -3.733 -11.895 -0.402 115 HB VAL 19 HB VAL 19 -3.127 -10.624 1.395 116 1HG1 VAL 19 1HG1 VAL 19 -0.861 -10.505 -0.600 117 2HG1 VAL 19 2HG1 VAL 19 -0.667 -9.916 1.070 118 3HG1 VAL 19 3HG1 VAL 19 -1.093 -11.619 0.769 119 1HG2 VAL 19 1HG2 VAL 19 -1.984 -8.230 0.789 120 2HG2 VAL 19 2HG2 VAL 19 -3.163 -8.377 -0.534 121 3HG2 VAL 19 3HG2 VAL 19 -3.710 -8.451 1.160 122 H LYS 20 H LYS 20 -5.558 -10.490 0.789 123 HA LYS 20 HA LYS 20 -6.947 -9.052 -1.363 124 1HB LYS 20 1HB LYS 20 -7.755 -11.375 -0.382 125 2HB LYS 20 2HB LYS 20 -8.451 -10.339 0.878 126 1HG LYS 20 1HG LYS 20 -9.462 -8.947 -1.016 127 2HG LYS 20 2HG LYS 20 -8.966 -10.234 -2.126 128 1HD LYS 20 1HD LYS 20 -10.329 -11.857 -0.887 129 2HD LYS 20 2HD LYS 20 -10.765 -10.627 0.311 130 1HE LYS 20 1HE LYS 20 -12.596 -10.320 -1.007 131 2HE LYS 20 2HE LYS 20 -11.504 -9.385 -2.042 132 1HZ LYS 20 1HZ LYS 20 -12.794 -11.189 -3.134 133 2HZ LYS 20 2HZ LYS 20 -11.183 -11.250 -3.391 134 3HZ LYS 20 3HZ LYS 20 -11.879 -12.278 -2.330 135 H VAL 21 H VAL 21 -7.002 -6.900 -1.033 136 HA VAL 21 HA VAL 21 -6.615 -5.918 1.665 137 HB VAL 21 HB VAL 21 -6.599 -4.721 -1.092 138 1HG1 VAL 21 1HG1 VAL 21 -7.609 -2.923 -0.085 139 2HG1 VAL 21 2HG1 VAL 21 -6.976 -3.328 1.530 140 3HG1 VAL 21 3HG1 VAL 21 -5.908 -2.579 0.318 141 1HG2 VAL 21 1HG2 VAL 21 -4.302 -4.049 -0.408 142 2HG2 VAL 21 2HG2 VAL 21 -4.544 -4.907 1.134 143 3HG2 VAL 21 3HG2 VAL 21 -4.552 -5.812 -0.398 144 H ALA 22 H ALA 22 -8.566 -6.419 2.737 145 HA ALA 22 HA ALA 22 -10.993 -5.320 1.535 146 1HB ALA 22 1HB ALA 22 -11.758 -6.625 3.830 147 2HB ALA 22 2HB ALA 22 -11.663 -7.381 2.221 148 3HB ALA 22 3HB ALA 22 -10.308 -7.547 3.363 149 H GLY 23 H GLY 23 -11.878 -3.443 2.268 150 1HA GLY 23 1HA GLY 23 -10.987 -2.467 4.912 151 2HA GLY 23 2HA GLY 23 -10.969 -1.434 3.498 152 H ALA 24 H ALA 24 -12.863 -2.661 6.108 153 HA ALA 24 HA ALA 24 -15.389 -2.038 4.819 154 1HB ALA 24 1HB ALA 24 -15.019 -4.053 6.315 155 2HB ALA 24 2HB ALA 24 -14.835 -2.921 7.675 156 3HB ALA 24 3HB ALA 24 -16.378 -3.006 6.791 157 H GLY 25 H GLY 25 -15.883 0.096 4.643 158 1HA GLY 25 1HA GLY 25 -16.547 2.121 5.463 159 2HA GLY 25 2HA GLY 25 -15.932 1.701 7.049 160 H LEU 26 H LEU 26 -14.119 1.525 3.935 161 HA LEU 26 HA LEU 26 -11.987 3.030 5.091 162 1HB LEU 26 1HB LEU 26 -11.895 1.062 3.464 163 2HB LEU 26 2HB LEU 26 -12.251 2.251 2.199 164 HG LEU 26 HG LEU 26 -9.817 2.035 3.970 165 1HD1 LEU 26 1HD1 LEU 26 -10.246 2.019 0.973 166 2HD1 LEU 26 2HD1 LEU 26 -8.651 2.092 1.760 167 3HD1 LEU 26 3HD1 LEU 26 -9.700 0.675 2.006 168 1HD2 LEU 26 1HD2 LEU 26 -10.076 4.317 4.109 169 2HD2 LEU 26 2HD2 LEU 26 -9.121 4.168 2.615 170 3HD2 LEU 26 3HD2 LEU 26 -10.877 4.437 2.525 171 H GLN 27 H GLN 27 -13.077 3.666 1.759 172 HA GLN 27 HA GLN 27 -13.113 6.465 2.451 173 1HB GLN 27 1HB GLN 27 -13.075 4.941 -0.170 174 2HB GLN 27 2HB GLN 27 -13.313 6.696 -0.115 175 1HG GLN 27 1HG GLN 27 -10.895 5.061 0.665 176 2HG GLN 27 2HG GLN 27 -10.976 6.474 -0.397 177 1HE2 GLN 27 1HE2 GLN 27 -12.124 8.401 0.870 178 2HE2 GLN 27 2HE2 GLN 27 -11.378 8.808 2.379 179 H ALA 28 H ALA 28 -15.299 4.387 3.134 180 HA ALA 28 HA ALA 28 -17.499 4.538 3.429 181 1HB ALA 28 1HB ALA 28 -18.629 6.549 3.109 182 2HB ALA 28 2HB ALA 28 -16.942 7.108 3.178 183 3HB ALA 28 3HB ALA 28 -17.752 6.924 1.607 184 H GLY 29 H GLY 29 -15.841 4.299 0.448 185 1HA GLY 29 1HA GLY 29 -16.731 2.379 -0.862 186 2HA GLY 29 2HA GLY 29 -18.262 3.232 -0.881 187 H THR 30 H THR 30 -15.853 5.596 -0.897 188 HA THR 30 HA THR 30 -16.418 6.439 -3.496 189 HB THR 30 HB THR 30 -13.869 7.123 -1.982 190 HG1 THR 30 1HG THR 30 -16.689 7.760 -1.469 191 1HG2 THR 30 1HG2 THR 30 -13.964 8.959 -3.334 192 2HG2 THR 30 2HG2 THR 30 -15.424 8.307 -4.115 193 3HG2 THR 30 3HG2 THR 30 -15.574 9.345 -2.676 194 H ALA 31 H ALA 31 -13.694 7.054 -4.422 195 HA ALA 31 HA ALA 31 -12.791 4.373 -5.182 196 1HB ALA 31 1HB ALA 31 -12.881 6.558 -7.243 197 2HB ALA 31 2HB ALA 31 -12.962 4.792 -7.453 198 3HB ALA 31 3HB ALA 31 -14.385 5.684 -6.861 199 H TYR 32 H TYR 32 -10.742 4.239 -4.419 200 HA TYR 32 HA TYR 32 -9.069 6.642 -4.723 201 1HB TYR 32 1HB TYR 32 -9.632 4.651 -2.516 202 2HB TYR 32 2HB TYR 32 -7.954 5.181 -2.663 203 HD1 TYR 32 1HD TYR 32 -7.699 6.451 -0.685 204 HD2 TYR 32 2HD TYR 32 -11.015 7.221 -3.276 205 HE1 TYR 32 1HE TYR 32 -8.265 8.542 0.647 206 HE2 TYR 32 2HE TYR 32 -11.569 9.309 -1.936 207 HH TYR 32 HH TYR 32 -10.847 9.887 0.877 208 H ASP 33 H ASP 33 -6.640 6.037 -4.665 209 HA ASP 33 HA ASP 33 -6.340 3.905 -6.570 210 1HB ASP 33 1HB ASP 33 -4.911 6.349 -5.801 211 2HB ASP 33 2HB ASP 33 -3.799 4.986 -5.992 212 HD2 ASP 33 HD2 ASP 33 -4.652 6.832 -9.161 213 H VAL 34 H VAL 34 -5.831 1.848 -5.808 214 HA VAL 34 HA VAL 34 -4.911 1.532 -3.107 215 HB VAL 34 HB VAL 34 -6.314 0.024 -5.049 216 1HG1 VAL 34 1HG1 VAL 34 -3.961 -0.846 -5.577 217 2HG1 VAL 34 2HG1 VAL 34 -4.005 -1.601 -3.966 218 3HG1 VAL 34 3HG1 VAL 34 -5.209 -2.058 -5.195 219 1HG2 VAL 34 1HG2 VAL 34 -5.641 -0.162 -2.146 220 2HG2 VAL 34 2HG2 VAL 34 -7.225 -0.097 -2.957 221 3HG2 VAL 34 3HG2 VAL 34 -6.298 -1.616 -2.936 222 H GLY 35 H GLY 35 -2.877 0.795 -2.418 223 1HA GLY 35 1HA GLY 35 -0.850 -0.238 -3.956 224 2HA GLY 35 2HA GLY 35 -0.685 1.498 -4.112 225 H GLN 36 H GLN 36 1.209 -0.295 -2.801 226 HA GLN 36 HA GLN 36 0.787 0.273 0.003 227 1HB GLN 36 1HB GLN 36 3.258 -1.105 -0.972 228 2HB GLN 36 2HB GLN 36 2.268 -1.452 0.456 229 1HG GLN 36 1HG GLN 36 1.104 -3.019 -0.675 230 2HG GLN 36 2HG GLN 36 0.714 -1.877 -1.970 231 1HE2 GLN 36 1HE2 GLN 36 2.952 -1.258 -3.162 232 2HE2 GLN 36 2HE2 GLN 36 3.794 -2.628 -3.809 233 H CYS 37 H CYS 37 1.242 2.439 0.388 234 HA CYS 37 HA CYS 37 3.776 3.425 -0.686 235 1HB CYS 37 1HB CYS 37 1.586 4.610 -1.189 236 2HB CYS 37 2HB CYS 37 1.573 5.102 0.505 237 H ALA 38 H ALA 38 5.158 4.688 0.837 238 HA ALA 38 HA ALA 38 4.622 4.902 3.554 239 1HB ALA 38 1HB ALA 38 5.754 2.289 2.650 240 2HB ALA 38 2HB ALA 38 6.487 3.032 4.092 241 3HB ALA 38 3HB ALA 38 4.744 2.670 4.064 242 H TRP 39 H TRP 39 6.764 5.397 4.789 243 HA TRP 39 HA TRP 39 8.245 7.185 3.129 244 1HB TRP 39 1HB TRP 39 9.431 7.722 5.197 245 2HB TRP 39 2HB TRP 39 7.680 7.834 5.365 246 HD1 TRP 39 HD TRP 39 6.516 6.019 7.029 247 HE1 TRP 39 1HE TRP 39 7.390 4.437 8.953 248 HE3 TRP 39 3HE TRP 39 11.434 6.351 5.785 249 HZ2 TRP 39 2HZ TRP 39 9.981 3.524 9.723 250 HZ3 TRP 39 3HZ TRP 39 13.073 5.083 7.174 251 HH2 TRP 39 HH TRP 39 12.415 3.706 9.084 252 H VAL 40 H VAL 40 9.641 6.263 1.656 253 HA VAL 40 HA VAL 40 11.139 3.910 2.488 254 HB VAL 40 HB VAL 40 9.840 4.413 0.222 255 1HG1 VAL 40 1HG1 VAL 40 12.628 5.505 -0.264 256 2HG1 VAL 40 2HG1 VAL 40 11.496 5.034 -1.552 257 3HG1 VAL 40 3HG1 VAL 40 11.083 6.366 -0.446 258 1HG2 VAL 40 1HG2 VAL 40 10.626 2.269 0.390 259 2HG2 VAL 40 2HG2 VAL 40 11.728 2.882 -0.865 260 3HG2 VAL 40 3HG2 VAL 40 12.274 2.783 0.826 261 H ASP 41 H ASP 41 11.646 7.257 1.194 262 HA ASP 41 HA ASP 41 14.449 7.007 1.687 263 1HB ASP 41 1HB ASP 41 12.739 8.639 0.093 264 2HB ASP 41 2HB ASP 41 13.573 9.736 1.203 265 HD2 ASP 41 HD2 ASP 41 16.539 8.031 -0.464 266 H THR 42 H THR 42 15.213 9.493 2.685 267 HA THR 42 HA THR 42 14.816 9.287 5.409 268 HB THR 42 HB THR 42 15.699 11.535 3.543 269 HG1 THR 42 1HG THR 42 17.032 9.599 3.873 270 1HG2 THR 42 1HG2 THR 42 16.825 12.233 5.892 271 2HG2 THR 42 2HG2 THR 42 15.245 12.888 5.403 272 3HG2 THR 42 3HG2 THR 42 15.328 11.522 6.541 273 H GLY 43 H GLY 43 12.626 8.950 5.927 274 1HA GLY 43 1HA GLY 43 10.554 9.577 6.529 275 2HA GLY 43 2HA GLY 43 11.209 11.190 6.728 276 H VAL 44 H VAL 44 11.475 9.689 3.544 277 HA VAL 44 HA VAL 44 9.531 11.633 2.563 278 HB VAL 44 HB VAL 44 11.611 9.972 1.123 279 1HG1 VAL 44 1HG1 VAL 44 10.453 12.425 -0.098 280 2HG1 VAL 44 2HG1 VAL 44 10.966 10.896 -0.852 281 3HG1 VAL 44 3HG1 VAL 44 9.396 10.996 -0.020 282 1HG2 VAL 44 1HG2 VAL 44 12.942 11.441 2.279 283 2HG2 VAL 44 2HG2 VAL 44 12.555 12.441 0.857 284 3HG2 VAL 44 3HG2 VAL 44 11.675 12.688 2.385 285 H LEU 45 H LEU 45 7.490 10.970 2.174 286 HA LEU 45 HA LEU 45 6.824 8.223 2.280 287 1HB LEU 45 1HB LEU 45 5.419 10.803 1.883 288 2HB LEU 45 2HB LEU 45 4.591 9.329 1.348 289 HG LEU 45 HG LEU 45 5.697 9.685 4.138 290 1HD1 LEU 45 1HD1 LEU 45 4.166 11.330 4.336 291 2HD1 LEU 45 2HD1 LEU 45 3.222 10.775 2.932 292 3HD1 LEU 45 3HD1 LEU 45 3.039 9.961 4.505 293 1HD2 LEU 45 1HD2 LEU 45 3.750 7.963 4.501 294 2HD2 LEU 45 2HD2 LEU 45 3.980 7.652 2.762 295 3HD2 LEU 45 3HD2 LEU 45 5.335 7.431 3.893 296 H ALA 46 H ALA 46 7.713 6.930 0.708 297 HA ALA 46 HA ALA 46 7.253 7.798 -2.063 298 1HB ALA 46 1HB ALA 46 9.200 6.535 -2.667 299 2HB ALA 46 2HB ALA 46 9.644 7.495 -1.236 300 3HB ALA 46 3HB ALA 46 9.275 5.761 -1.066 301 H CYS 47 H CYS 47 6.129 6.435 -3.458 302 HA CYS 47 HA CYS 47 4.911 4.133 -2.132 303 1HB CYS 47 1HB CYS 47 3.928 5.374 -4.683 304 2HB CYS 47 2HB CYS 47 3.051 4.367 -3.529 305 H ASN 48 H ASN 48 4.746 2.110 -3.393 306 HA ASN 48 HA ASN 48 7.112 1.673 -4.878 307 1HB ASN 48 1HB ASN 48 4.816 -0.295 -4.814 308 2HB ASN 48 2HB ASN 48 6.552 -0.623 -4.721 309 1HD2 ASN 48 1HD2 ASN 48 7.038 1.494 -2.788 310 2HD2 ASN 48 2HD2 ASN 48 6.456 0.947 -1.252 311 HA PRO 49 HA PRO 49 5.353 1.832 -8.898 312 1HB PRO 49 1HB PRO 49 6.347 -0.340 -10.222 313 2HB PRO 49 2HB PRO 49 7.280 1.126 -9.944 314 1HG PRO 49 1HG PRO 49 7.414 -1.490 -8.589 315 2HG PRO 49 2HG PRO 49 8.655 -0.188 -8.641 316 1HD PRO 49 1HD PRO 49 6.910 -0.901 -6.486 317 2HD PRO 49 2HD PRO 49 8.001 0.489 -6.543 318 H ALA 50 H ALA 50 4.506 -0.724 -6.909 319 HA ALA 50 HA ALA 50 2.362 -1.474 -8.769 320 1HB ALA 50 1HB ALA 50 3.784 -2.898 -6.508 321 2HB ALA 50 2HB ALA 50 2.196 -3.446 -7.094 322 3HB ALA 50 3HB ALA 50 3.587 -3.409 -8.202 323 H ASP 51 H ASP 51 2.738 0.939 -6.803 324 HA ASP 51 HA ASP 51 0.646 0.374 -4.923 325 1HB ASP 51 1HB ASP 51 2.330 1.731 -4.002 326 2HB ASP 51 2HB ASP 51 2.516 2.687 -5.480 327 HD2 ASP 51 HD2 ASP 51 -0.114 3.799 -2.748 328 H PHE 52 H PHE 52 0.624 0.875 -8.144 329 HA PHE 52 HA PHE 52 -1.515 2.878 -8.100 330 1HB PHE 52 1HB PHE 52 -0.248 1.754 -10.606 331 2HB PHE 52 2HB PHE 52 -0.759 3.415 -10.289 332 HD1 PHE 52 1HD PHE 52 0.703 4.204 -7.952 333 HD2 PHE 52 2HD PHE 52 1.976 1.741 -11.164 334 HE1 PHE 52 1HE PHE 52 3.088 4.835 -7.491 335 HE2 PHE 52 2HE PHE 52 4.361 2.371 -10.702 336 HZ PHE 52 HZ PHE 52 4.889 3.912 -8.871 337 H SER 53 H SER 53 -3.318 1.595 -7.554 338 HA SER 53 HA SER 53 -4.167 -0.105 -9.705 339 1HB SER 53 1HB SER 53 -3.052 -1.212 -7.329 340 2HB SER 53 2HB SER 53 -4.798 -1.500 -7.247 341 HG SER 53 HG SER 53 -2.899 -2.754 -8.771 342 H SER 54 H SER 54 -5.624 1.794 -9.909 343 HA SER 54 HA SER 54 -7.146 2.881 -8.007 344 1HB SER 54 1HB SER 54 -8.793 3.388 -9.774 345 2HB SER 54 2HB SER 54 -7.138 3.604 -10.366 346 HG SER 54 HG SER 54 -9.046 1.544 -10.968 347 H VAL 55 H VAL 55 -9.104 2.417 -6.906 348 HA VAL 55 HA VAL 55 -10.639 0.114 -7.600 349 HB VAL 55 HB VAL 55 -8.550 -0.710 -6.339 350 1HG1 VAL 55 1HG1 VAL 55 -8.896 -0.677 -3.823 351 2HG1 VAL 55 2HG1 VAL 55 -8.388 0.863 -4.560 352 3HG1 VAL 55 3HG1 VAL 55 -10.087 0.620 -4.092 353 1HG2 VAL 55 1HG2 VAL 55 -9.758 -2.565 -6.002 354 2HG2 VAL 55 2HG2 VAL 55 -10.774 -1.770 -4.776 355 3HG2 VAL 55 3HG2 VAL 55 -11.179 -1.620 -6.502 356 H THR 56 H THR 56 -12.519 -0.127 -6.010 357 HA THR 56 HA THR 56 -13.018 2.368 -4.554 358 HB THR 56 HB THR 56 -14.371 1.336 -7.008 359 HG1 THR 56 1HG THR 56 -14.731 3.675 -7.049 360 1HG2 THR 56 1HG2 THR 56 -15.900 2.344 -4.558 361 2HG2 THR 56 2HG2 THR 56 -16.534 2.487 -6.217 362 3HG2 THR 56 3HG2 THR 56 -16.236 0.880 -5.512 363 H ALA 57 H ALA 57 -14.660 2.201 -2.897 364 HA ALA 57 HA ALA 57 -14.776 -0.545 -1.893 365 1HB ALA 57 1HB ALA 57 -14.739 2.205 -0.684 366 2HB ALA 57 2HB ALA 57 -15.569 0.901 0.201 367 3HB ALA 57 3HB ALA 57 -13.845 0.740 -0.211 368 H ASP 58 H ASP 58 -16.764 -1.499 -1.263 369 HA ASP 58 HA ASP 58 -18.894 -0.924 -2.876 370 1HB ASP 58 1HB ASP 58 -19.231 -2.156 -0.129 371 2HB ASP 58 2HB ASP 58 -20.081 -2.576 -1.624 372 HD2 ASP 58 HD2 ASP 58 -17.558 -5.097 -0.850 373 H ALA 59 H ALA 59 -21.167 -0.217 -2.108 374 HA ALA 59 HA ALA 59 -21.281 2.300 -1.220 375 1HB ALA 59 1HB ALA 59 -23.400 0.381 -0.277 376 2HB ALA 59 2HB ALA 59 -23.574 1.972 -1.056 377 3HB ALA 59 3HB ALA 59 -23.105 0.553 -2.022 378 H ASN 60 H ASN 60 -20.971 -0.657 0.783 379 HA ASN 60 HA ASN 60 -21.234 0.892 3.176 380 1HB ASN 60 1HB ASN 60 -21.999 -1.563 2.811 381 2HB ASN 60 2HB ASN 60 -20.293 -2.006 2.959 382 1HD2 ASN 60 1HD2 ASN 60 -21.051 -3.254 4.781 383 2HD2 ASN 60 2HD2 ASN 60 -21.234 -2.511 6.335 384 H GLY 61 H GLY 61 -19.074 1.711 1.412 385 1HA GLY 61 1HA GLY 61 -16.833 1.984 1.283 386 2HA GLY 61 2HA GLY 61 -16.952 2.103 3.027 387 H SER 62 H SER 62 -17.560 -0.792 0.948 388 HA SER 62 HA SER 62 -15.491 -2.125 2.497 389 1HB SER 62 1HB SER 62 -17.980 -3.055 1.068 390 2HB SER 62 2HB SER 62 -16.670 -4.210 1.375 391 HG SER 62 HG SER 62 -16.839 -3.629 3.663 392 H ALA 63 H ALA 63 -13.573 -1.690 1.364 393 HA ALA 63 HA ALA 63 -13.613 -2.170 -1.522 394 1HB ALA 63 1HB ALA 63 -12.471 -0.220 -1.404 395 2HB ALA 63 2HB ALA 63 -12.152 -0.407 0.336 396 3HB ALA 63 3HB ALA 63 -11.104 -1.215 -0.853 397 H SER 64 H SER 64 -13.543 -4.415 -1.722 398 HA SER 64 HA SER 64 -11.370 -5.705 -0.277 399 1HB SER 64 1HB SER 64 -13.591 -7.139 -1.753 400 2HB SER 64 2HB SER 64 -12.576 -7.752 -0.435 401 HG SER 64 HG SER 64 -14.987 -6.799 -0.167 402 H THR 65 H THR 65 -9.822 -4.768 -1.883 403 HA THR 65 HA THR 65 -9.995 -6.102 -4.501 404 HB THR 65 HB THR 65 -9.981 -3.511 -4.275 405 HG1 THR 65 1HG THR 65 -7.745 -4.862 -5.612 406 1HG2 THR 65 1HG2 THR 65 -7.959 -3.707 -2.549 407 2HG2 THR 65 2HG2 THR 65 -6.982 -3.897 -4.025 408 3HG2 THR 65 3HG2 THR 65 -7.942 -2.418 -3.777 409 H SER 66 H SER 66 -8.493 -7.552 -5.131 410 HA SER 66 HA SER 66 -6.526 -8.199 -3.119 411 1HB SER 66 1HB SER 66 -6.252 -10.295 -4.334 412 2HB SER 66 2HB SER 66 -7.980 -9.992 -4.076 413 HG SER 66 HG SER 66 -8.106 -9.227 -6.276 414 H LEU 67 H LEU 67 -4.301 -7.944 -3.417 415 HA LEU 67 HA LEU 67 -3.358 -7.300 -6.091 416 1HB LEU 67 1HB LEU 67 -3.853 -5.341 -4.100 417 2HB LEU 67 2HB LEU 67 -2.097 -5.489 -4.295 418 HG LEU 67 HG LEU 67 -2.835 -3.757 -5.736 419 1HD1 LEU 67 1HD1 LEU 67 -2.062 -4.476 -7.867 420 2HD1 LEU 67 2HD1 LEU 67 -1.178 -5.420 -6.645 421 3HD1 LEU 67 3HD1 LEU 67 -2.524 -6.164 -7.542 422 1HD2 LEU 67 1HD2 LEU 67 -5.252 -5.097 -5.811 423 2HD2 LEU 67 2HD2 LEU 67 -4.823 -3.638 -6.736 424 3HD2 LEU 67 3HD2 LEU 67 -4.646 -5.247 -7.477 425 H THR 68 H THR 68 -0.886 -7.287 -6.124 426 HA THR 68 HA THR 68 -0.004 -9.514 -4.469 427 HB THR 68 HB THR 68 0.367 -9.687 -6.880 428 HG1 THR 68 1HG THR 68 2.239 -10.455 -5.921 429 1HG2 THR 68 1HG2 THR 68 0.493 -7.593 -7.909 430 2HG2 THR 68 2HG2 THR 68 1.341 -6.856 -6.529 431 3HG2 THR 68 3HG2 THR 68 2.233 -7.884 -7.675 432 H VAL 69 H VAL 69 1.231 -9.341 -2.708 433 HA VAL 69 HA VAL 69 2.164 -6.681 -2.018 434 HB VAL 69 HB VAL 69 1.687 -9.268 -0.604 435 1HG1 VAL 69 1HG1 VAL 69 2.775 -8.053 1.442 436 2HG1 VAL 69 2HG1 VAL 69 3.802 -8.954 0.300 437 3HG1 VAL 69 3HG1 VAL 69 3.700 -7.180 0.197 438 1HG2 VAL 69 1HG2 VAL 69 0.812 -6.405 -0.363 439 2HG2 VAL 69 2HG2 VAL 69 -0.165 -7.893 -0.417 440 3HG2 VAL 69 3HG2 VAL 69 0.735 -7.470 1.061 441 H ARG 70 H ARG 70 3.927 -6.291 -3.398 442 HA ARG 70 HA ARG 70 6.065 -8.243 -3.176 443 1HB ARG 70 1HB ARG 70 5.917 -5.940 -5.158 444 2HB ARG 70 2HB ARG 70 6.922 -7.392 -5.271 445 1HG ARG 70 1HG ARG 70 4.251 -8.310 -5.039 446 2HG ARG 70 2HG ARG 70 4.188 -6.958 -6.185 447 1HD ARG 70 1HD ARG 70 5.857 -8.001 -7.602 448 2HD ARG 70 2HD ARG 70 6.193 -9.250 -6.395 449 HE ARG 70 HE ARG 70 3.415 -9.342 -7.038 450 1HH1 ARG 70 1HH1 ARG 70 6.528 -9.988 -8.547 451 2HH1 ARG 70 2HH1 ARG 70 5.900 -11.186 -9.629 452 1HH2 ARG 70 1HH2 ARG 70 2.586 -10.923 -8.464 453 2HH2 ARG 70 2HH2 ARG 70 3.642 -11.722 -9.581 454 H ARG 71 H ARG 71 6.701 -7.412 -1.026 455 HA ARG 71 HA ARG 71 7.099 -4.909 -0.277 456 1HB ARG 71 1HB ARG 71 7.614 -6.521 1.341 457 2HB ARG 71 2HB ARG 71 8.660 -7.446 0.251 458 1HG ARG 71 1HG ARG 71 9.468 -4.641 0.973 459 2HG ARG 71 2HG ARG 71 9.662 -5.899 2.209 460 1HD ARG 71 1HD ARG 71 10.952 -5.698 -0.530 461 2HD ARG 71 2HD ARG 71 11.744 -5.879 1.041 462 HE ARG 71 HE ARG 71 10.352 -8.017 -0.501 463 1HH1 ARG 71 1HH1 ARG 71 12.236 -7.063 2.315 464 2HH1 ARG 71 2HH1 ARG 71 12.651 -8.688 2.747 465 1HH2 ARG 71 1HH2 ARG 71 10.900 -10.161 0.071 466 2HH2 ARG 71 2HH2 ARG 71 11.887 -10.461 1.461 467 H SER 72 H SER 72 9.251 -6.864 -2.403 468 HA SER 72 HA SER 72 11.195 -4.785 -2.517 469 1HB SER 72 1HB SER 72 11.789 -6.499 -4.598 470 2HB SER 72 2HB SER 72 12.379 -6.679 -2.937 471 HG SER 72 HG SER 72 10.544 -8.212 -4.376 472 H PHE 73 H PHE 73 11.627 -3.397 -4.321 473 HA PHE 73 HA PHE 73 10.659 -3.488 -6.813 474 1HB PHE 73 1HB PHE 73 8.618 -1.838 -6.450 475 2HB PHE 73 2HB PHE 73 8.351 -3.558 -6.151 476 HD1 PHE 73 1HD PHE 73 10.146 -1.185 -3.940 477 HD2 PHE 73 2HD PHE 73 6.612 -3.447 -4.571 478 HE1 PHE 73 1HE PHE 73 9.387 -0.646 -1.609 479 HE2 PHE 73 2HE PHE 73 5.851 -2.910 -2.239 480 HZ PHE 73 HZ PHE 73 7.248 -1.514 -0.787 481 H GLU 74 H GLU 74 10.132 -1.025 -7.675 482 HA GLU 74 HA GLU 74 12.352 0.469 -6.584 483 1HB GLU 74 1HB GLU 74 12.083 -0.047 -9.068 484 2HB GLU 74 2HB GLU 74 10.739 1.109 -9.085 485 1HG GLU 74 1HG GLU 74 12.271 2.876 -8.245 486 2HG GLU 74 2HG GLU 74 13.612 1.719 -8.238 487 HE2 GLU 74 HE2 GLU 74 12.177 2.680 -11.844 488 H GLY 75 H GLY 75 11.766 1.734 -4.850 489 1HA GLY 75 1HA GLY 75 9.153 2.768 -4.485 490 2HA GLY 75 2HA GLY 75 10.596 3.181 -3.581 491 H PHE 76 H PHE 76 8.461 5.002 -4.511 492 HA PHE 76 HA PHE 76 10.183 6.801 -6.035 493 1HB PHE 76 1HB PHE 76 8.045 5.364 -7.118 494 2HB PHE 76 2HB PHE 76 7.239 6.850 -6.607 495 HD1 PHE 76 1HD PHE 76 8.966 5.281 -9.219 496 HD2 PHE 76 2HD PHE 76 8.475 9.064 -7.363 497 HE1 PHE 76 1HE PHE 76 9.754 6.412 -11.317 498 HE2 PHE 76 2HE PHE 76 9.264 10.196 -9.460 499 HZ PHE 76 HZ PHE 76 9.895 8.857 -11.411 500 H LEU 77 H LEU 77 10.320 8.751 -5.030 501 HA LEU 77 HA LEU 77 8.867 9.264 -2.693 502 1HB LEU 77 1HB LEU 77 10.252 11.346 -4.345 503 2HB LEU 77 2HB LEU 77 10.059 11.271 -2.585 504 HG LEU 77 HG LEU 77 11.909 9.661 -4.350 505 1HD1 LEU 77 1HD1 LEU 77 12.843 11.770 -3.809 506 2HD1 LEU 77 2HD1 LEU 77 12.324 11.647 -2.109 507 3HD1 LEU 77 3HD1 LEU 77 13.611 10.585 -2.727 508 1HD2 LEU 77 1HD2 LEU 77 10.866 9.030 -1.630 509 2HD2 LEU 77 2HD2 LEU 77 11.358 7.949 -2.955 510 3HD2 LEU 77 3HD2 LEU 77 12.594 8.744 -1.951 511 H PHE 78 H PHE 78 7.303 10.985 -2.267 512 HA PHE 78 HA PHE 78 5.337 11.061 -4.364 513 1HB PHE 78 1HB PHE 78 4.485 10.755 -2.152 514 2HB PHE 78 2HB PHE 78 5.654 11.874 -1.446 515 HD1 PHE 78 1HD PHE 78 4.714 13.779 -0.579 516 HD2 PHE 78 2HD PHE 78 2.944 12.042 -4.024 517 HE1 PHE 78 1HE PHE 78 2.971 15.583 -0.595 518 HE2 PHE 78 2HE PHE 78 1.201 13.846 -4.038 519 HZ PHE 78 HZ PHE 78 1.235 15.598 -2.323 520 H ASP 79 H ASP 79 7.855 13.145 -3.034 521 HA ASP 79 HA ASP 79 6.797 15.597 -3.666 522 1HB ASP 79 1HB ASP 79 9.021 14.860 -2.459 523 2HB ASP 79 2HB ASP 79 9.736 14.966 -4.076 524 HD2 ASP 79 HD2 ASP 79 10.144 18.146 -2.378 525 H GLY 80 H GLY 80 8.878 13.304 -5.574 526 1HA GLY 80 1HA GLY 80 7.754 13.588 -8.023 527 2HA GLY 80 2HA GLY 80 8.835 14.964 -7.931 528 H THR 81 H THR 81 10.721 13.456 -6.056 529 HA THR 81 HA THR 81 12.256 12.213 -8.156 530 HB THR 81 HB THR 81 12.647 13.101 -5.289 531 HG1 THR 81 1HG THR 81 13.020 14.318 -7.405 532 1HG2 THR 81 1HG2 THR 81 13.722 10.808 -5.444 533 2HG2 THR 81 2HG2 THR 81 14.614 11.369 -6.878 534 3HG2 THR 81 3HG2 THR 81 14.915 12.122 -5.294 535 H ARG 82 H ARG 82 13.361 10.070 -7.752 536 HA ARG 82 HA ARG 82 11.373 8.290 -6.586 537 1HB ARG 82 1HB ARG 82 12.341 6.567 -8.217 538 2HB ARG 82 2HB ARG 82 11.435 7.892 -8.968 539 1HG ARG 82 1HG ARG 82 13.272 8.661 -10.051 540 2HG ARG 82 2HG ARG 82 14.300 8.512 -8.614 541 1HD ARG 82 1HD ARG 82 13.592 5.877 -9.601 542 2HD ARG 82 2HD ARG 82 14.264 6.838 -10.929 543 HE ARG 82 HE ARG 82 15.679 5.857 -8.566 544 1HH1 ARG 82 1HH1 ARG 82 15.651 8.343 -11.056 545 2HH1 ARG 82 2HH1 ARG 82 17.348 8.670 -10.930 546 1HH2 ARG 82 1HH2 ARG 82 17.917 6.288 -8.399 547 2HH2 ARG 82 2HH2 ARG 82 18.645 7.492 -9.407 548 H TRP 83 H TRP 83 12.188 6.415 -5.398 549 HA TRP 83 HA TRP 83 14.936 6.833 -4.455 550 1HB TRP 83 1HB TRP 83 13.172 7.017 -2.778 551 2HB TRP 83 2HB TRP 83 12.620 5.382 -3.156 552 HD1 TRP 83 HD TRP 83 13.476 3.735 -1.331 553 HE1 TRP 83 1HE TRP 83 15.602 3.381 0.190 554 HE3 TRP 83 3HE TRP 83 16.014 7.801 -3.025 555 HZ2 TRP 83 2HZ TRP 83 18.051 4.811 0.507 556 HZ3 TRP 83 3HZ TRP 83 18.265 8.251 -2.058 557 HH2 TRP 83 HH TRP 83 19.288 6.833 -0.351 558 H GLY 84 H GLY 84 12.868 3.893 -4.276 559 1HA GLY 84 1HA GLY 84 13.182 2.217 -6.098 560 2HA GLY 84 2HA GLY 84 14.903 2.483 -5.897 561 H THR 85 H THR 85 15.887 2.009 -3.721 562 HA THR 85 HA THR 85 16.222 0.697 -1.956 563 HB THR 85 HB THR 85 13.170 0.795 -1.967 564 HG1 THR 85 1HG THR 85 13.933 2.025 0.054 565 1HG2 THR 85 1HG2 THR 85 14.939 -1.007 -0.448 566 2HG2 THR 85 2HG2 THR 85 14.086 0.130 0.622 567 3HG2 THR 85 3HG2 THR 85 13.161 -0.935 -0.464 568 H VAL 86 H VAL 86 13.498 -0.756 -3.871 569 HA VAL 86 HA VAL 86 13.511 -2.651 -5.063 570 HB VAL 86 HB VAL 86 15.415 -3.760 -5.629 571 1HG1 VAL 86 1HG1 VAL 86 17.198 -1.668 -4.651 572 2HG1 VAL 86 2HG1 VAL 86 16.711 -2.069 -6.316 573 3HG1 VAL 86 3HG1 VAL 86 15.691 -1.001 -5.322 574 1HG2 VAL 86 1HG2 VAL 86 17.406 -3.428 -3.693 575 2HG2 VAL 86 2HG2 VAL 86 15.920 -3.737 -2.763 576 3HG2 VAL 86 3HG2 VAL 86 16.450 -4.896 -4.005 577 H ASP 87 H ASP 87 14.319 -2.391 -1.659 578 HA ASP 87 HA ASP 87 12.642 -4.703 -1.211 579 1HB ASP 87 1HB ASP 87 15.335 -4.992 -1.014 580 2HB ASP 87 2HB ASP 87 14.998 -4.387 0.617 581 HD2 ASP 87 HD2 ASP 87 13.768 -7.421 1.621 582 H CYS 88 H CYS 88 10.960 -3.610 -0.144 583 HA CYS 88 HA CYS 88 11.647 -1.449 1.649 584 1HB CYS 88 1HB CYS 88 9.873 -0.869 0.289 585 2HB CYS 88 2HB CYS 88 9.101 -2.452 0.422 586 H THR 89 H THR 89 12.824 -3.302 2.953 587 HA THR 89 HA THR 89 10.871 -4.693 4.656 588 HB THR 89 HB THR 89 13.426 -5.398 3.382 589 HG1 THR 89 1HG THR 89 11.107 -6.401 3.682 590 1HG2 THR 89 1HG2 THR 89 14.322 -6.703 5.281 591 2HG2 THR 89 2HG2 THR 89 14.308 -4.978 5.718 592 3HG2 THR 89 3HG2 THR 89 13.050 -6.065 6.349 593 H THR 90 H THR 90 12.932 -1.969 4.512 594 HA THR 90 HA THR 90 13.475 -2.002 7.372 595 HB THR 90 HB THR 90 14.279 -0.303 4.976 596 HG1 THR 90 1HG THR 90 15.677 -1.647 7.177 597 1HG2 THR 90 1HG2 THR 90 15.789 0.509 7.222 598 2HG2 THR 90 2HG2 THR 90 14.579 1.496 6.367 599 3HG2 THR 90 3HG2 THR 90 14.105 0.544 7.795 600 H ALA 91 H ALA 91 11.876 0.257 5.018 601 HA ALA 91 HA ALA 91 10.446 1.418 7.265 602 1HB ALA 91 1HB ALA 91 10.409 3.285 5.992 603 2HB ALA 91 2HB ALA 91 11.584 2.444 4.952 604 3HB ALA 91 3HB ALA 91 9.850 2.399 4.554 605 H ALA 92 H ALA 92 8.735 0.185 7.934 606 HA ALA 92 HA ALA 92 7.387 -1.719 6.630 607 1HB ALA 92 1HB ALA 92 7.143 -0.666 9.026 608 2HB ALA 92 2HB ALA 92 5.843 0.287 8.270 609 3HB ALA 92 3HB ALA 92 5.752 -1.489 8.281 610 H CYS 93 H CYS 93 6.132 -1.906 4.836 611 HA CYS 93 HA CYS 93 5.459 0.547 3.465 612 1HB CYS 93 1HB CYS 93 4.634 -1.981 2.241 613 2HB CYS 93 2HB CYS 93 5.542 -0.627 1.565 614 H GLN 94 H GLN 94 3.396 1.410 3.484 615 HA GLN 94 HA GLN 94 1.412 -0.096 4.940 616 1HB GLN 94 1HB GLN 94 1.517 2.787 3.982 617 2HB GLN 94 2HB GLN 94 0.137 2.095 4.855 618 1HG GLN 94 1HG GLN 94 1.282 2.014 6.855 619 2HG GLN 94 2HG GLN 94 2.846 1.711 6.083 620 1HE2 GLN 94 1HE2 GLN 94 1.645 3.702 8.095 621 2HE2 GLN 94 2HE2 GLN 94 2.214 5.253 7.571 622 H VAL 95 H VAL 95 0.122 -1.458 3.779 623 HA VAL 95 HA VAL 95 -0.325 -0.885 0.974 624 HB VAL 95 HB VAL 95 -1.418 -3.218 2.519 625 1HG1 VAL 95 1HG1 VAL 95 -2.205 -3.476 0.397 626 2HG1 VAL 95 2HG1 VAL 95 -0.889 -2.524 -0.329 627 3HG1 VAL 95 3HG1 VAL 95 -0.604 -4.213 0.157 628 1HG2 VAL 95 1HG2 VAL 95 0.649 -3.801 3.152 629 2HG2 VAL 95 2HG2 VAL 95 0.980 -4.110 1.431 630 3HG2 VAL 95 3HG2 VAL 95 1.400 -2.535 2.148 631 H GLY 96 H GLY 96 -1.894 0.576 0.511 632 1HA GLY 96 1HA GLY 96 -4.578 0.066 1.358 633 2HA GLY 96 2HA GLY 96 -3.891 1.458 2.170 634 H LEU 97 H LEU 97 -5.965 2.158 0.691 635 HA LEU 97 HA LEU 97 -4.887 2.977 -1.912 636 1HB LEU 97 1HB LEU 97 -7.314 3.385 -2.438 637 2HB LEU 97 2HB LEU 97 -6.792 1.698 -2.287 638 HG LEU 97 HG LEU 97 -7.733 1.716 0.045 639 1HD1 LEU 97 1HD1 LEU 97 -8.057 3.766 0.903 640 2HD1 LEU 97 2HD1 LEU 97 -8.257 4.521 -0.696 641 3HD1 LEU 97 3HD1 LEU 97 -9.624 3.674 0.064 642 1HD2 LEU 97 1HD2 LEU 97 -9.193 1.745 -2.492 643 2HD2 LEU 97 2HD2 LEU 97 -9.265 0.599 -1.133 644 3HD2 LEU 97 3HD2 LEU 97 -10.216 2.101 -1.082 645 H SER 98 H SER 98 -4.461 5.099 -2.280 646 HA SER 98 HA SER 98 -5.057 6.883 -0.092 647 1HB SER 98 1HB SER 98 -2.785 6.968 -0.807 648 2HB SER 98 2HB SER 98 -3.237 7.059 -2.520 649 HG SER 98 HG SER 98 -2.791 9.157 -2.053 650 H ASP 99 H ASP 99 -5.630 9.269 -0.841 651 HA ASP 99 HA ASP 99 -7.991 8.990 -2.420 652 1HB ASP 99 1HB ASP 99 -7.150 11.717 -1.647 653 2HB ASP 99 2HB ASP 99 -8.681 10.887 -1.336 654 HD2 ASP 99 HD2 ASP 99 -7.789 10.618 1.939 655 H ALA 100 H ALA 100 -8.437 10.588 -4.254 656 HA ALA 100 HA ALA 100 -6.049 10.875 -5.874 657 1HB ALA 100 1HB ALA 100 -7.488 10.822 -7.670 658 2HB ALA 100 2HB ALA 100 -8.510 9.984 -6.478 659 3HB ALA 100 3HB ALA 100 -8.766 11.714 -6.811 660 H ALA 101 H ALA 101 -7.135 12.603 -3.388 661 HA ALA 101 HA ALA 101 -6.954 15.189 -4.763 662 1HB ALA 101 1HB ALA 101 -8.547 14.124 -2.566 663 2HB ALA 101 2HB ALA 101 -7.652 15.579 -2.067 664 3HB ALA 101 3HB ALA 101 -8.740 15.643 -3.473 665 H GLY 102 H GLY 102 -5.767 13.317 -1.891 666 1HA GLY 102 1HA GLY 102 -3.306 13.315 -1.693 667 2HA GLY 102 2HA GLY 102 -3.369 15.052 -1.913 668 H ASN 103 H ASN 103 -5.389 12.750 0.053 669 HA ASN 103 HA ASN 103 -4.834 14.498 2.313 670 1HB ASN 103 1HB ASN 103 -7.120 12.514 1.880 671 2HB ASN 103 2HB ASN 103 -6.949 13.571 3.288 672 1HD2 ASN 103 1HD2 ASN 103 -8.810 13.207 0.815 673 2HD2 ASN 103 2HD2 ASN 103 -9.095 14.824 0.264 674 H GLY 104 H GLY 104 -4.267 13.457 4.370 675 1HA GLY 104 1HA GLY 104 -2.465 11.543 4.513 676 2HA GLY 104 2HA GLY 104 -3.696 11.721 5.750 677 HA PRO 105 HA PRO 105 -4.825 8.138 2.814 678 1HB PRO 105 1HB PRO 105 -2.737 6.928 1.533 679 2HB PRO 105 2HB PRO 105 -3.788 8.113 0.758 680 1HG PRO 105 1HG PRO 105 -1.044 8.406 1.806 681 2HG PRO 105 2HG PRO 105 -1.908 9.442 0.613 682 1HD PRO 105 1HD PRO 105 -1.360 9.980 3.372 683 2HD PRO 105 2HD PRO 105 -2.352 10.959 2.283 684 H GLU 106 H GLU 106 -5.435 6.416 3.961 685 HA GLU 106 HA GLU 106 -3.515 5.607 5.952 686 1HB GLU 106 1HB GLU 106 -6.212 5.997 6.062 687 2HB GLU 106 2HB GLU 106 -6.162 4.244 5.811 688 1HG GLU 106 1HG GLU 106 -5.916 4.184 8.077 689 2HG GLU 106 2HG GLU 106 -4.219 4.543 7.727 690 HE2 GLU 106 HE2 GLU 106 -6.499 7.627 8.862 691 H GLY 107 H GLY 107 -2.730 3.439 6.192 692 1HA GLY 107 1HA GLY 107 -3.384 1.559 4.033 693 2HA GLY 107 2HA GLY 107 -1.717 2.055 4.241 694 H VAL 108 H VAL 108 -2.255 -0.624 4.506 695 HA VAL 108 HA VAL 108 -2.513 -1.102 7.378 696 HB VAL 108 HB VAL 108 -3.907 -2.304 5.629 697 1HG1 VAL 108 1HG1 VAL 108 -1.969 -4.382 5.123 698 2HG1 VAL 108 2HG1 VAL 108 -2.945 -3.442 3.969 699 3HG1 VAL 108 3HG1 VAL 108 -1.366 -2.824 4.510 700 1HG2 VAL 108 1HG2 VAL 108 -4.051 -4.225 6.942 701 2HG2 VAL 108 2HG2 VAL 108 -2.302 -4.254 7.276 702 3HG2 VAL 108 3HG2 VAL 108 -3.338 -3.035 8.058 703 H ALA 109 H ALA 109 -0.873 -2.149 8.573 704 HA ALA 109 HA ALA 109 1.758 -1.645 7.600 705 1HB ALA 109 1HB ALA 109 1.545 -1.293 9.891 706 2HB ALA 109 2HB ALA 109 0.489 -2.707 10.118 707 3HB ALA 109 3HB ALA 109 2.235 -2.933 9.861 708 H ILE 110 H ILE 110 2.365 -2.913 5.863 709 HA ILE 110 HA ILE 110 1.615 -5.620 5.634 710 HB ILE 110 HB ILE 110 2.482 -3.759 3.928 711 1HG1 ILE 110 1HG1 ILE 110 2.767 -6.756 3.638 712 2HG1 ILE 110 2HG1 ILE 110 1.322 -5.786 3.296 713 1HG2 ILE 110 1HG2 ILE 110 4.938 -5.428 4.532 714 2HG2 ILE 110 2HG2 ILE 110 4.733 -4.386 3.103 715 3HG2 ILE 110 3HG2 ILE 110 4.756 -3.669 4.732 716 1HD1 ILE 110 1HD1 ILE 110 3.906 -6.009 1.753 717 2HD1 ILE 110 2HD1 ILE 110 2.228 -6.004 1.156 718 3HD1 ILE 110 3HD1 ILE 110 2.991 -4.483 1.674 719 H SER 111 H SER 111 2.631 -7.510 6.246 720 HA SER 111 HA SER 111 4.507 -7.249 8.333 721 1HB SER 111 1HB SER 111 2.686 -9.185 7.440 722 2HB SER 111 2HB SER 111 4.268 -9.951 7.212 723 HG SER 111 HG SER 111 4.451 -8.843 9.594 724 H PHE 112 H PHE 112 5.892 -5.941 6.523 725 HA PHE 112 HA PHE 112 7.256 -7.211 4.542 726 1HB PHE 112 1HB PHE 112 8.960 -5.414 4.998 727 2HB PHE 112 2HB PHE 112 7.320 -4.767 5.114 728 HD1 PHE 112 1HD PHE 112 6.479 -3.935 7.190 729 HD2 PHE 112 2HD PHE 112 10.277 -5.821 7.038 730 HE1 PHE 112 1HE PHE 112 6.988 -3.094 9.498 731 HE2 PHE 112 2HE PHE 112 10.788 -4.979 9.347 732 HZ PHE 112 HZ PHE 112 9.136 -3.625 10.549 733 H ASN 113 H ASN 113 9.613 -7.868 4.463 734 HA ASN 113 HA ASN 113 10.013 -9.934 6.286 735 1HB ASN 113 1HB ASN 113 10.920 -9.502 3.820 736 2HB ASN 113 2HB ASN 113 12.286 -8.749 4.659 737 1HD2 ASN 113 1HD2 ASN 113 10.231 -11.655 4.708 738 2HD2 ASN 113 2HD2 ASN 113 11.477 -12.802 5.074 739 6H NCZ 130 6H NCZ 130 0.207 13.796 -0.929 740 6H1 NCZ 130 6H1 NCZ 130 -0.711 11.068 -1.387 741 5H1 NCZ 130 5H1 NCZ 130 -2.091 12.407 0.428 742 4H1 NCZ 130 4H1 NCZ 130 -0.350 12.540 2.560 743 5H NCZ 130 5H NCZ 130 2.930 12.626 0.998 744 3H1 NCZ 130 3H1 NCZ 130 1.488 11.057 1.952 745 2H1 NCZ 130 2H1 NCZ 130 1.861 11.479 -0.843 746 2H NCZ 130 2H NCZ 130 0.222 8.669 -4.044 747 8H NCZ 130 8H NCZ 130 -0.785 5.619 -3.948 748 7H NCZ 130 7H NCZ 130 -1.569 4.377 -1.959 749 3H NCZ 130 3H NCZ 130 -0.867 4.796 2.672 750 1H17 NCZ 130 1H17 NCZ 130 1.328 8.111 4.755 751 2H17 NCZ 130 2H17 NCZ 130 1.999 8.384 3.129 752 3H17 NCZ 130 3H17 NCZ 130 0.323 8.857 3.492 753 1H18 NCZ 130 1H18 NCZ 130 -1.656 3.267 -0.511 754 2H18 NCZ 130 2H18 NCZ 130 -1.571 3.073 1.255 755 3H18 NCZ 130 3H18 NCZ 130 -2.853 4.069 0.531 756 1H NCZ 130 1H NCZ 130 1.298 8.049 1.024 Start of MODEL 17 1 H ALA 1 H ALA 1 -11.178 -5.350 6.451 2 HA ALA 1 HA ALA 1 -13.055 -7.613 6.431 3 1HB ALA 1 1HB ALA 1 -11.896 -8.077 8.743 4 2HB ALA 1 2HB ALA 1 -11.106 -8.616 7.241 5 3HB ALA 1 3HB ALA 1 -10.556 -7.132 8.053 6 H ALA 2 H ALA 2 -11.937 -4.508 7.788 7 HA ALA 2 HA ALA 2 -14.464 -3.624 8.418 8 1HB ALA 2 1HB ALA 2 -15.009 -4.694 10.317 9 2HB ALA 2 2HB ALA 2 -13.430 -5.512 10.362 10 3HB ALA 2 3HB ALA 2 -13.621 -3.906 11.105 11 HA PRO 3 HA PRO 3 -11.056 -0.953 10.305 12 1HB PRO 3 1HB PRO 3 -8.531 -1.945 10.618 13 2HB PRO 3 2HB PRO 3 -9.729 -1.937 11.908 14 1HG PRO 3 1HG PRO 3 -8.790 -4.155 10.205 15 2HG PRO 3 2HG PRO 3 -9.627 -4.239 11.797 16 1HD PRO 3 1HD PRO 3 -10.703 -4.742 9.191 17 2HD PRO 3 2HD PRO 3 -11.605 -4.683 10.711 18 H THR 4 H THR 4 -11.772 -0.549 7.961 19 HA THR 4 HA THR 4 -11.229 0.157 5.921 20 HB THR 4 HB THR 4 -9.558 1.806 5.953 21 HG1 THR 4 1HG THR 4 -7.539 1.241 7.255 22 1HG2 THR 4 1HG2 THR 4 -10.842 1.825 8.244 23 2HG2 THR 4 2HG2 THR 4 -9.356 1.108 8.910 24 3HG2 THR 4 3HG2 THR 4 -9.304 2.718 8.150 25 H ALA 5 H ALA 5 -9.250 0.077 4.157 26 HA ALA 5 HA ALA 5 -9.159 -2.602 3.421 27 1HB ALA 5 1HB ALA 5 -8.161 -0.004 2.477 28 2HB ALA 5 2HB ALA 5 -7.075 -1.352 2.068 29 3HB ALA 5 3HB ALA 5 -8.777 -1.394 1.551 30 H THR 6 H THR 6 -7.988 -4.266 4.223 31 HA THR 6 HA THR 6 -5.276 -3.705 5.155 32 HB THR 6 HB THR 6 -6.011 -5.336 7.148 33 HG1 THR 6 1HG THR 6 -8.302 -4.934 7.569 34 1HG2 THR 6 1HG2 THR 6 -5.322 -3.141 7.815 35 2HG2 THR 6 2HG2 THR 6 -6.629 -2.362 6.889 36 3HG2 THR 6 3HG2 THR 6 -7.005 -3.250 8.385 37 H VAL 7 H VAL 7 -3.841 -5.466 5.017 38 HA VAL 7 HA VAL 7 -4.579 -7.314 2.975 39 HB VAL 7 HB VAL 7 -2.131 -6.706 4.593 40 1HG1 VAL 7 1HG1 VAL 7 -2.234 -8.976 2.593 41 2HG1 VAL 7 2HG1 VAL 7 -0.909 -8.530 3.694 42 3HG1 VAL 7 3HG1 VAL 7 -2.410 -9.227 4.347 43 1HG2 VAL 7 1HG2 VAL 7 -2.827 -5.390 2.537 44 2HG2 VAL 7 2HG2 VAL 7 -1.183 -6.077 2.502 45 3HG2 VAL 7 3HG2 VAL 7 -2.495 -6.860 1.589 46 H THR 8 H THR 8 -5.932 -8.985 3.419 47 HA THR 8 HA THR 8 -6.666 -9.990 5.796 48 HB THR 8 HB THR 8 -6.483 -10.967 2.983 49 HG1 THR 8 1HG THR 8 -8.346 -9.936 4.036 50 1HG2 THR 8 1HG2 THR 8 -5.617 -12.961 4.372 51 2HG2 THR 8 2HG2 THR 8 -7.168 -12.908 5.247 52 3HG2 THR 8 3HG2 THR 8 -7.144 -13.249 3.500 53 HA PRO 9 HA PRO 9 -3.056 -12.957 6.064 54 1HB PRO 9 1HB PRO 9 -1.153 -13.070 4.108 55 2HB PRO 9 2HB PRO 9 -2.548 -14.146 4.158 56 1HG PRO 9 1HG PRO 9 -2.033 -11.785 2.465 57 2HG PRO 9 2HG PRO 9 -3.196 -13.133 2.191 58 1HD PRO 9 1HD PRO 9 -3.742 -10.460 3.061 59 2HD PRO 9 2HD PRO 9 -4.898 -11.794 2.963 60 H SER 10 H SER 10 -0.241 -12.772 5.646 61 HA SER 10 HA SER 10 0.111 -10.419 7.271 62 1HB SER 10 1HB SER 10 1.714 -12.898 6.688 63 2HB SER 10 2HB SER 10 2.559 -11.467 7.308 64 HG SER 10 HG SER 10 1.475 -13.244 8.806 65 H SER 11 H SER 11 1.333 -11.929 4.216 66 HA SER 11 HA SER 11 2.360 -11.120 2.486 67 1HB SER 11 1HB SER 11 1.576 -9.125 1.545 68 2HB SER 11 2HB SER 11 0.259 -9.570 2.645 69 HG SER 11 HG SER 11 0.695 -7.382 2.983 70 H GLY 12 H GLY 12 3.887 -9.013 1.747 71 1HA GLY 12 1HA GLY 12 5.716 -7.743 2.184 72 2HA GLY 12 2HA GLY 12 5.431 -7.910 3.903 73 H LEU 13 H LEU 13 5.474 -10.674 4.319 74 HA LEU 13 HA LEU 13 8.232 -11.170 4.327 75 1HB LEU 13 1HB LEU 13 7.510 -13.449 5.066 76 2HB LEU 13 2HB LEU 13 6.949 -12.086 6.052 77 HG LEU 13 HG LEU 13 4.928 -12.598 4.136 78 1HD1 LEU 13 1HD1 LEU 13 6.140 -14.824 3.894 79 2HD1 LEU 13 2HD1 LEU 13 5.623 -15.168 5.562 80 3HD1 LEU 13 3HD1 LEU 13 4.406 -14.888 4.293 81 1HD2 LEU 13 1HD2 LEU 13 3.758 -13.462 6.306 82 2HD2 LEU 13 2HD2 LEU 13 5.237 -12.880 7.107 83 3HD2 LEU 13 3HD2 LEU 13 4.233 -11.752 6.164 84 H SER 14 H SER 14 5.801 -11.526 1.880 85 HA SER 14 HA SER 14 7.693 -13.158 0.376 86 1HB SER 14 1HB SER 14 5.035 -13.806 1.078 87 2HB SER 14 2HB SER 14 4.967 -13.364 -0.639 88 HG SER 14 HG SER 14 7.102 -14.887 -0.483 89 H ASP 15 H ASP 15 8.697 -11.552 -0.851 90 HA ASP 15 HA ASP 15 7.443 -9.258 -1.702 91 1HB ASP 15 1HB ASP 15 9.789 -9.224 -1.763 92 2HB ASP 15 2HB ASP 15 9.898 -10.800 -2.561 93 HD2 ASP 15 HD2 ASP 15 10.457 -9.151 -5.492 94 H GLY 16 H GLY 16 5.343 -10.127 -2.574 95 1HA GLY 16 1HA GLY 16 4.560 -10.004 -4.940 96 2HA GLY 16 2HA GLY 16 5.631 -11.355 -5.250 97 H THR 17 H THR 17 3.693 -10.854 -2.256 98 HA THR 17 HA THR 17 2.424 -13.433 -2.757 99 HB THR 17 HB THR 17 3.508 -12.060 -0.492 100 HG1 THR 17 1HG THR 17 3.278 -14.198 0.176 101 1HG2 THR 17 1HG2 THR 17 1.294 -11.023 -0.066 102 2HG2 THR 17 2HG2 THR 17 0.497 -12.596 -0.309 103 3HG2 THR 17 3HG2 THR 17 1.567 -12.347 1.091 104 H VAL 18 H VAL 18 0.326 -13.731 -3.266 105 HA VAL 18 HA VAL 18 -1.172 -11.353 -3.905 106 HB VAL 18 HB VAL 18 -2.341 -14.075 -4.125 107 1HG1 VAL 18 1HG1 VAL 18 -2.481 -11.458 -5.486 108 2HG1 VAL 18 2HG1 VAL 18 -2.523 -12.866 -6.571 109 3HG1 VAL 18 3HG1 VAL 18 -3.727 -12.711 -5.269 110 1HG2 VAL 18 1HG2 VAL 18 -0.330 -14.871 -4.872 111 2HG2 VAL 18 2HG2 VAL 18 -0.933 -14.158 -6.388 112 3HG2 VAL 18 3HG2 VAL 18 0.244 -13.268 -5.391 113 H VAL 19 H VAL 19 -2.456 -10.329 -2.469 114 HA VAL 19 HA VAL 19 -3.800 -11.993 -0.467 115 HB VAL 19 HB VAL 19 -3.169 -10.664 1.298 116 1HG1 VAL 19 1HG1 VAL 19 -0.789 -10.645 -0.589 117 2HG1 VAL 19 2HG1 VAL 19 -0.702 -10.329 1.161 118 3HG1 VAL 19 3HG1 VAL 19 -1.234 -11.921 0.570 119 1HG2 VAL 19 1HG2 VAL 19 -3.521 -8.462 0.974 120 2HG2 VAL 19 2HG2 VAL 19 -1.792 -8.415 0.550 121 3HG2 VAL 19 3HG2 VAL 19 -3.020 -8.531 -0.735 122 H LYS 20 H LYS 20 -5.562 -10.474 0.673 123 HA LYS 20 HA LYS 20 -6.841 -8.977 -1.509 124 1HB LYS 20 1HB LYS 20 -7.794 -11.268 -0.686 125 2HB LYS 20 2HB LYS 20 -8.417 -10.311 0.670 126 1HG LYS 20 1HG LYS 20 -9.704 -8.920 -0.781 127 2HG LYS 20 2HG LYS 20 -8.843 -9.477 -2.227 128 1HD LYS 20 1HD LYS 20 -10.641 -10.851 -2.473 129 2HD LYS 20 2HD LYS 20 -9.833 -11.854 -1.255 130 1HE LYS 20 1HE LYS 20 -11.095 -10.421 0.491 131 2HE LYS 20 2HE LYS 20 -12.083 -9.839 -0.858 132 1HZ LYS 20 1HZ LYS 20 -12.782 -11.910 0.451 133 2HZ LYS 20 2HZ LYS 20 -12.945 -11.913 -1.173 134 3HZ LYS 20 3HZ LYS 20 -11.695 -12.698 -0.477 135 H VAL 21 H VAL 21 -7.202 -6.852 -1.131 136 HA VAL 21 HA VAL 21 -6.713 -5.920 1.592 137 HB VAL 21 HB VAL 21 -6.873 -4.442 -1.044 138 1HG1 VAL 21 1HG1 VAL 21 -7.008 -3.483 1.639 139 2HG1 VAL 21 2HG1 VAL 21 -5.422 -3.021 0.973 140 3HG1 VAL 21 3HG1 VAL 21 -6.917 -2.547 0.129 141 1HG2 VAL 21 1HG2 VAL 21 -4.386 -4.219 -0.735 142 2HG2 VAL 21 2HG2 VAL 21 -4.503 -5.409 0.585 143 3HG2 VAL 21 3HG2 VAL 21 -4.946 -5.873 -1.076 144 H ALA 22 H ALA 22 -8.743 -6.594 2.509 145 HA ALA 22 HA ALA 22 -11.112 -5.363 1.340 146 1HB ALA 22 1HB ALA 22 -10.559 -7.564 3.329 147 2HB ALA 22 2HB ALA 22 -12.154 -6.774 3.291 148 3HB ALA 22 3HB ALA 22 -11.539 -7.606 1.843 149 H GLY 23 H GLY 23 -12.000 -3.522 2.153 150 1HA GLY 23 1HA GLY 23 -11.230 -2.731 4.892 151 2HA GLY 23 2HA GLY 23 -11.067 -1.614 3.552 152 H ALA 24 H ALA 24 -13.049 -2.405 6.085 153 HA ALA 24 HA ALA 24 -15.501 -1.744 4.616 154 1HB ALA 24 1HB ALA 24 -15.805 -2.522 7.419 155 2HB ALA 24 2HB ALA 24 -16.543 -3.223 5.959 156 3HB ALA 24 3HB ALA 24 -14.924 -3.751 6.479 157 H GLY 25 H GLY 25 -16.224 0.318 4.750 158 1HA GLY 25 1HA GLY 25 -16.927 2.151 6.052 159 2HA GLY 25 2HA GLY 25 -15.654 1.828 7.211 160 H LEU 26 H LEU 26 -14.278 1.310 4.184 161 HA LEU 26 HA LEU 26 -12.829 3.767 4.348 162 1HB LEU 26 1HB LEU 26 -12.085 1.363 3.672 163 2HB LEU 26 2HB LEU 26 -12.633 1.851 2.060 164 HG LEU 26 HG LEU 26 -10.997 3.552 1.915 165 1HD1 LEU 26 1HD1 LEU 26 -10.672 3.200 4.893 166 2HD1 LEU 26 2HD1 LEU 26 -9.443 4.009 3.894 167 3HD1 LEU 26 3HD1 LEU 26 -11.096 4.665 3.975 168 1HD2 LEU 26 1HD2 LEU 26 -8.971 1.984 3.089 169 2HD2 LEU 26 2HD2 LEU 26 -10.237 0.851 2.558 170 3HD2 LEU 26 3HD2 LEU 26 -9.515 1.987 1.393 171 H GLN 27 H GLN 27 -12.774 3.503 1.163 172 HA GLN 27 HA GLN 27 -14.239 5.762 0.701 173 1HB GLN 27 1HB GLN 27 -13.238 3.544 -1.090 174 2HB GLN 27 2HB GLN 27 -14.139 4.911 -1.770 175 1HG GLN 27 1HG GLN 27 -11.481 4.920 -0.308 176 2HG GLN 27 2HG GLN 27 -11.831 5.522 -1.934 177 1HE2 GLN 27 1HE2 GLN 27 -11.587 6.214 1.374 178 2HE2 GLN 27 2HE2 GLN 27 -12.167 7.845 1.376 179 H ALA 28 H ALA 28 -16.340 5.584 1.675 180 HA ALA 28 HA ALA 28 -18.103 3.489 1.212 181 1HB ALA 28 1HB ALA 28 -18.037 5.799 2.721 182 2HB ALA 28 2HB ALA 28 -19.305 6.170 1.528 183 3HB ALA 28 3HB ALA 28 -19.446 4.723 2.557 184 H GLY 29 H GLY 29 -18.187 2.822 -0.955 185 1HA GLY 29 1HA GLY 29 -19.051 2.799 -3.034 186 2HA GLY 29 2HA GLY 29 -20.004 4.212 -2.622 187 H THR 30 H THR 30 -16.717 4.824 -1.915 188 HA THR 30 HA THR 30 -16.505 6.465 -4.317 189 HB THR 30 HB THR 30 -14.299 6.739 -2.467 190 HG1 THR 30 1HG THR 30 -17.015 6.855 -1.371 191 1HG2 THR 30 1HG2 THR 30 -16.668 8.355 -3.390 192 2HG2 THR 30 2HG2 THR 30 -15.901 8.844 -1.861 193 3HG2 THR 30 3HG2 THR 30 -14.944 8.799 -3.360 194 H ALA 31 H ALA 31 -13.898 6.694 -4.858 195 HA ALA 31 HA ALA 31 -12.877 3.977 -5.190 196 1HB ALA 31 1HB ALA 31 -14.295 5.185 -7.207 197 2HB ALA 31 2HB ALA 31 -12.635 5.710 -7.579 198 3HB ALA 31 3HB ALA 31 -13.013 3.975 -7.457 199 H TYR 32 H TYR 32 -10.823 3.959 -4.439 200 HA TYR 32 HA TYR 32 -9.317 6.479 -4.650 201 1HB TYR 32 1HB TYR 32 -9.795 4.359 -2.552 202 2HB TYR 32 2HB TYR 32 -8.140 4.971 -2.638 203 HD1 TYR 32 1HD TYR 32 -10.744 7.319 -3.558 204 HD2 TYR 32 2HD TYR 32 -8.522 5.736 -0.263 205 HE1 TYR 32 1HE TYR 32 -11.422 9.312 -2.133 206 HE2 TYR 32 2HE TYR 32 -9.206 7.735 1.149 207 HH TYR 32 HH TYR 32 -11.669 9.594 0.566 208 H ASP 33 H ASP 33 -6.807 5.912 -4.336 209 HA ASP 33 HA ASP 33 -6.301 3.967 -6.414 210 1HB ASP 33 1HB ASP 33 -4.587 6.125 -5.123 211 2HB ASP 33 2HB ASP 33 -3.972 5.012 -6.354 212 HD2 ASP 33 HD2 ASP 33 -6.690 6.887 -8.285 213 H VAL 34 H VAL 34 -5.759 1.907 -5.677 214 HA VAL 34 HA VAL 34 -4.806 1.577 -2.982 215 HB VAL 34 HB VAL 34 -6.316 0.100 -4.793 216 1HG1 VAL 34 1HG1 VAL 34 -5.200 -1.902 -5.295 217 2HG1 VAL 34 2HG1 VAL 34 -4.010 -0.638 -5.685 218 3HG1 VAL 34 3HG1 VAL 34 -3.869 -1.555 -4.167 219 1HG2 VAL 34 1HG2 VAL 34 -5.313 -0.169 -2.023 220 2HG2 VAL 34 2HG2 VAL 34 -6.964 -0.321 -2.669 221 3HG2 VAL 34 3HG2 VAL 34 -5.831 -1.687 -2.792 222 H GLY 35 H GLY 35 -2.733 1.021 -2.333 223 1HA GLY 35 1HA GLY 35 -0.723 -0.027 -3.924 224 2HA GLY 35 2HA GLY 35 -0.604 1.715 -4.080 225 H GLN 36 H GLN 36 1.372 -0.018 -2.821 226 HA GLN 36 HA GLN 36 0.997 0.508 -0.006 227 1HB GLN 36 1HB GLN 36 3.499 -0.758 -1.043 228 2HB GLN 36 2HB GLN 36 2.543 -1.166 0.391 229 1HG GLN 36 1HG GLN 36 1.465 -2.781 -0.751 230 2HG GLN 36 2HG GLN 36 0.950 -1.623 -1.987 231 1HE2 GLN 36 1HE2 GLN 36 3.061 -0.837 -3.278 232 2HE2 GLN 36 2HE2 GLN 36 3.963 -2.130 -3.997 233 H CYS 37 H CYS 37 1.440 2.631 0.507 234 HA CYS 37 HA CYS 37 3.846 3.780 -0.692 235 1HB CYS 37 1HB CYS 37 1.498 4.860 -0.879 236 2HB CYS 37 2HB CYS 37 1.770 5.365 0.791 237 H ALA 38 H ALA 38 5.392 4.838 0.742 238 HA ALA 38 HA ALA 38 5.075 5.047 3.490 239 1HB ALA 38 1HB ALA 38 5.002 2.718 3.790 240 2HB ALA 38 2HB ALA 38 6.187 2.418 2.498 241 3HB ALA 38 3HB ALA 38 6.720 3.102 4.052 242 H TRP 39 H TRP 39 7.318 5.406 4.567 243 HA TRP 39 HA TRP 39 8.756 7.173 2.894 244 1HB TRP 39 1HB TRP 39 10.139 7.560 4.801 245 2HB TRP 39 2HB TRP 39 8.450 7.504 5.306 246 HD1 TRP 39 HD TRP 39 7.741 4.908 6.391 247 HE1 TRP 39 1HE TRP 39 9.063 3.379 8.087 248 HE3 TRP 39 3HE TRP 39 12.295 7.001 5.541 249 HZ2 TRP 39 2HZ TRP 39 11.804 3.221 8.867 250 HZ3 TRP 39 3HZ TRP 39 14.243 6.102 6.811 251 HH2 TRP 39 HH TRP 39 14.050 4.277 8.426 252 H VAL 40 H VAL 40 10.068 6.470 1.260 253 HA VAL 40 HA VAL 40 11.373 3.883 1.584 254 HB VAL 40 HB VAL 40 10.004 4.979 -0.486 255 1HG1 VAL 40 1HG1 VAL 40 12.937 5.400 -1.146 256 2HG1 VAL 40 2HG1 VAL 40 11.558 5.606 -2.252 257 3HG1 VAL 40 3HG1 VAL 40 11.750 6.694 -0.856 258 1HG2 VAL 40 1HG2 VAL 40 11.404 2.632 0.055 259 2HG2 VAL 40 2HG2 VAL 40 10.342 2.938 -1.339 260 3HG2 VAL 40 3HG2 VAL 40 12.096 3.205 -1.481 261 H ASP 41 H ASP 41 12.065 7.367 0.910 262 HA ASP 41 HA ASP 41 14.875 6.797 1.131 263 1HB ASP 41 1HB ASP 41 13.400 8.621 -0.327 264 2HB ASP 41 2HB ASP 41 13.969 9.630 1.010 265 HD2 ASP 41 HD2 ASP 41 17.347 8.675 -0.171 266 H THR 42 H THR 42 15.461 9.534 2.249 267 HA THR 42 HA THR 42 15.187 8.867 5.032 268 HB THR 42 HB THR 42 17.173 9.990 3.647 269 HG1 THR 42 1HG THR 42 16.788 9.587 6.065 270 1HG2 THR 42 1HG2 THR 42 15.590 11.995 3.042 271 2HG2 THR 42 2HG2 THR 42 15.769 12.459 4.751 272 3HG2 THR 42 3HG2 THR 42 17.200 12.383 3.696 273 H GLY 43 H GLY 43 13.125 8.988 5.800 274 1HA GLY 43 1HA GLY 43 11.207 9.935 6.488 275 2HA GLY 43 2HA GLY 43 12.084 11.453 6.524 276 H VAL 44 H VAL 44 11.927 9.735 3.451 277 HA VAL 44 HA VAL 44 10.049 11.781 2.506 278 HB VAL 44 HB VAL 44 12.066 10.121 0.982 279 1HG1 VAL 44 1HG1 VAL 44 10.249 10.742 -0.464 280 2HG1 VAL 44 2HG1 VAL 44 10.267 12.416 0.142 281 3HG1 VAL 44 3HG1 VAL 44 11.629 11.807 -0.828 282 1HG2 VAL 44 1HG2 VAL 44 12.726 12.873 0.895 283 2HG2 VAL 44 2HG2 VAL 44 12.408 12.480 2.603 284 3HG2 VAL 44 3HG2 VAL 44 13.623 11.553 1.688 285 H LEU 45 H LEU 45 7.991 11.100 2.241 286 HA LEU 45 HA LEU 45 7.367 8.337 2.288 287 1HB LEU 45 1HB LEU 45 6.077 10.604 2.930 288 2HB LEU 45 2HB LEU 45 5.351 10.283 1.346 289 HG LEU 45 HG LEU 45 5.463 7.969 3.179 290 1HD1 LEU 45 1HD1 LEU 45 4.896 10.215 4.509 291 2HD1 LEU 45 2HD1 LEU 45 3.283 9.888 3.830 292 3HD1 LEU 45 3HD1 LEU 45 4.088 8.663 4.845 293 1HD2 LEU 45 1HD2 LEU 45 3.490 7.357 2.156 294 2HD2 LEU 45 2HD2 LEU 45 3.013 9.038 1.817 295 3HD2 LEU 45 3HD2 LEU 45 4.301 8.271 0.859 296 H ALA 46 H ALA 46 8.016 7.054 0.623 297 HA ALA 46 HA ALA 46 7.486 8.076 -2.082 298 1HB ALA 46 1HB ALA 46 9.819 6.926 -0.856 299 2HB ALA 46 2HB ALA 46 9.228 5.812 -2.115 300 3HB ALA 46 3HB ALA 46 9.610 7.501 -2.529 301 H CYS 47 H CYS 47 6.152 6.896 -3.431 302 HA CYS 47 HA CYS 47 4.815 4.659 -2.146 303 1HB CYS 47 1HB CYS 47 4.078 6.181 -4.648 304 2HB CYS 47 2HB CYS 47 3.105 4.934 -3.862 305 H ASN 48 H ASN 48 4.436 2.656 -3.455 306 HA ASN 48 HA ASN 48 6.819 1.968 -4.828 307 1HB ASN 48 1HB ASN 48 4.227 0.385 -4.490 308 2HB ASN 48 2HB ASN 48 5.792 -0.293 -4.958 309 1HD2 ASN 48 1HD2 ASN 48 6.664 2.063 -2.969 310 2HD2 ASN 48 2HD2 ASN 48 6.674 1.273 -1.427 311 HA PRO 49 HA PRO 49 5.218 2.409 -8.888 312 1HB PRO 49 1HB PRO 49 6.427 0.389 -10.272 313 2HB PRO 49 2HB PRO 49 7.238 1.900 -9.865 314 1HG PRO 49 1HG PRO 49 7.492 -0.776 -8.648 315 2HG PRO 49 2HG PRO 49 8.640 0.608 -8.566 316 1HD PRO 49 1HD PRO 49 6.847 -0.342 -6.545 317 2HD PRO 49 2HD PRO 49 7.838 1.119 -6.472 318 H ALA 50 H ALA 50 4.495 -0.349 -7.110 319 HA ALA 50 HA ALA 50 2.473 -1.100 -9.103 320 1HB ALA 50 1HB ALA 50 4.295 -2.579 -7.389 321 2HB ALA 50 2HB ALA 50 2.609 -3.034 -7.047 322 3HB ALA 50 3HB ALA 50 3.249 -3.173 -8.703 323 H ASP 51 H ASP 51 2.652 1.133 -6.869 324 HA ASP 51 HA ASP 51 0.517 0.277 -5.165 325 1HB ASP 51 1HB ASP 51 1.438 1.808 -3.798 326 2HB ASP 51 2HB ASP 51 2.608 2.218 -5.060 327 HD2 ASP 51 HD2 ASP 51 0.881 5.135 -5.880 328 H PHE 52 H PHE 52 0.456 0.915 -8.288 329 HA PHE 52 HA PHE 52 -1.650 2.949 -8.204 330 1HB PHE 52 1HB PHE 52 -0.302 1.718 -10.652 331 2HB PHE 52 2HB PHE 52 -1.025 3.325 -10.517 332 HD1 PHE 52 1HD PHE 52 1.938 1.886 -11.096 333 HD2 PHE 52 2HD PHE 52 0.223 4.556 -8.279 334 HE1 PHE 52 1HE PHE 52 4.206 2.851 -10.632 335 HE2 PHE 52 2HE PHE 52 2.493 5.522 -7.815 336 HZ PHE 52 HZ PHE 52 4.457 4.658 -8.997 337 H SER 53 H SER 53 -3.390 1.592 -7.506 338 HA SER 53 HA SER 53 -4.406 -0.009 -9.668 339 1HB SER 53 1HB SER 53 -3.154 -1.203 -7.399 340 2HB SER 53 2HB SER 53 -4.898 -1.490 -7.233 341 HG SER 53 HG SER 53 -4.587 -2.086 -9.694 342 H SER 54 H SER 54 -5.947 1.769 -9.794 343 HA SER 54 HA SER 54 -7.317 2.831 -7.715 344 1HB SER 54 1HB SER 54 -8.875 3.643 -9.319 345 2HB SER 54 2HB SER 54 -7.342 3.493 -10.196 346 HG SER 54 HG SER 54 -8.743 2.500 -11.560 347 H VAL 55 H VAL 55 -9.149 2.273 -6.485 348 HA VAL 55 HA VAL 55 -10.559 -0.165 -7.218 349 HB VAL 55 HB VAL 55 -10.368 -0.977 -4.879 350 1HG1 VAL 55 1HG1 VAL 55 -7.863 -1.641 -5.131 351 2HG1 VAL 55 2HG1 VAL 55 -9.026 -2.159 -6.373 352 3HG1 VAL 55 3HG1 VAL 55 -7.959 -0.769 -6.678 353 1HG2 VAL 55 1HG2 VAL 55 -8.066 0.972 -4.587 354 2HG2 VAL 55 2HG2 VAL 55 -9.695 1.287 -3.945 355 3HG2 VAL 55 3HG2 VAL 55 -8.761 -0.105 -3.353 356 H THR 56 H THR 56 -12.535 -0.427 -5.671 357 HA THR 56 HA THR 56 -13.451 2.167 -4.682 358 HB THR 56 HB THR 56 -14.337 0.795 -7.145 359 HG1 THR 56 1HG THR 56 -15.056 3.002 -7.409 360 1HG2 THR 56 1HG2 THR 56 -16.205 0.055 -5.613 361 2HG2 THR 56 2HG2 THR 56 -16.432 1.751 -5.124 362 3HG2 THR 56 3HG2 THR 56 -16.743 1.261 -6.805 363 H ALA 57 H ALA 57 -14.843 2.067 -2.941 364 HA ALA 57 HA ALA 57 -15.186 -0.646 -1.880 365 1HB ALA 57 1HB ALA 57 -14.228 1.840 -0.780 366 2HB ALA 57 2HB ALA 57 -15.703 1.352 0.087 367 3HB ALA 57 3HB ALA 57 -14.317 0.239 -0.009 368 H ASP 58 H ASP 58 -17.221 -1.462 -1.575 369 HA ASP 58 HA ASP 58 -19.344 -0.462 -2.865 370 1HB ASP 58 1HB ASP 58 -19.795 -1.813 -0.205 371 2HB ASP 58 2HB ASP 58 -20.629 -2.090 -1.741 372 HD2 ASP 58 HD2 ASP 58 -17.275 -3.782 -2.407 373 H ALA 59 H ALA 59 -21.440 0.511 -1.960 374 HA ALA 59 HA ALA 59 -21.126 2.927 -0.825 375 1HB ALA 59 1HB ALA 59 -23.505 2.862 -0.376 376 2HB ALA 59 2HB ALA 59 -23.197 1.935 -1.864 377 3HB ALA 59 3HB ALA 59 -23.496 1.084 -0.329 378 H ASN 60 H ASN 60 -21.071 -0.232 0.783 379 HA ASN 60 HA ASN 60 -21.289 0.990 3.367 380 1HB ASN 60 1HB ASN 60 -22.153 -1.367 2.637 381 2HB ASN 60 2HB ASN 60 -20.470 -1.892 2.798 382 1HD2 ASN 60 1HD2 ASN 60 -21.025 -3.290 4.465 383 2HD2 ASN 60 2HD2 ASN 60 -21.365 -2.752 6.074 384 H GLY 61 H GLY 61 -19.061 1.861 1.656 385 1HA GLY 61 1HA GLY 61 -16.809 2.036 1.580 386 2HA GLY 61 2HA GLY 61 -16.938 1.974 3.326 387 H SER 62 H SER 62 -17.648 -0.625 0.903 388 HA SER 62 HA SER 62 -15.699 -2.243 2.331 389 1HB SER 62 1HB SER 62 -17.457 -3.572 0.356 390 2HB SER 62 2HB SER 62 -17.082 -4.037 2.024 391 HG SER 62 HG SER 62 -18.698 -2.690 2.787 392 H ALA 63 H ALA 63 -13.729 -1.801 1.300 393 HA ALA 63 HA ALA 63 -13.723 -2.015 -1.626 394 1HB ALA 63 1HB ALA 63 -11.258 -1.062 -0.955 395 2HB ALA 63 2HB ALA 63 -12.666 -0.025 -1.284 396 3HB ALA 63 3HB ALA 63 -12.230 -0.424 0.394 397 H SER 64 H SER 64 -13.541 -4.195 -2.070 398 HA SER 64 HA SER 64 -11.469 -5.605 -0.590 399 1HB SER 64 1HB SER 64 -12.597 -7.673 -1.525 400 2HB SER 64 2HB SER 64 -13.591 -6.726 -0.404 401 HG SER 64 HG SER 64 -14.942 -6.179 -2.016 402 H THR 65 H THR 65 -9.740 -4.627 -1.901 403 HA THR 65 HA THR 65 -9.729 -5.569 -4.693 404 HB THR 65 HB THR 65 -9.612 -3.115 -4.438 405 HG1 THR 65 1HG THR 65 -6.940 -3.382 -4.918 406 1HG2 THR 65 1HG2 THR 65 -7.046 -3.600 -2.843 407 2HG2 THR 65 2HG2 THR 65 -7.799 -2.032 -3.222 408 3HG2 THR 65 3HG2 THR 65 -8.589 -3.144 -2.079 409 H SER 66 H SER 66 -8.496 -7.260 -5.189 410 HA SER 66 HA SER 66 -6.542 -8.054 -3.215 411 1HB SER 66 1HB SER 66 -6.556 -10.204 -4.291 412 2HB SER 66 2HB SER 66 -8.244 -9.681 -4.153 413 HG SER 66 HG SER 66 -7.032 -10.502 -6.344 414 H LEU 67 H LEU 67 -4.310 -8.052 -3.600 415 HA LEU 67 HA LEU 67 -3.368 -7.648 -6.302 416 1HB LEU 67 1HB LEU 67 -3.797 -5.454 -4.613 417 2HB LEU 67 2HB LEU 67 -2.047 -5.728 -4.621 418 HG LEU 67 HG LEU 67 -2.683 -4.105 -6.308 419 1HD1 LEU 67 1HD1 LEU 67 -1.833 -6.750 -7.521 420 2HD1 LEU 67 2HD1 LEU 67 -1.671 -5.156 -8.296 421 3HD1 LEU 67 3HD1 LEU 67 -0.773 -5.516 -6.802 422 1HD2 LEU 67 1HD2 LEU 67 -5.028 -5.272 -6.566 423 2HD2 LEU 67 2HD2 LEU 67 -4.306 -4.357 -7.909 424 3HD2 LEU 67 3HD2 LEU 67 -4.212 -6.134 -7.892 425 H THR 68 H THR 68 -0.750 -7.363 -6.028 426 HA THR 68 HA THR 68 -0.015 -9.593 -4.259 427 HB THR 68 HB THR 68 0.283 -9.833 -6.768 428 HG1 THR 68 1HG THR 68 2.139 -10.915 -6.171 429 1HG2 THR 68 1HG2 THR 68 1.291 -7.203 -6.618 430 2HG2 THR 68 2HG2 THR 68 2.748 -8.215 -6.769 431 3HG2 THR 68 3HG2 THR 68 1.467 -8.308 -8.003 432 H VAL 69 H VAL 69 1.303 -9.311 -2.561 433 HA VAL 69 HA VAL 69 2.234 -6.606 -2.093 434 HB VAL 69 HB VAL 69 2.253 -9.095 -0.374 435 1HG1 VAL 69 1HG1 VAL 69 2.654 -7.497 1.499 436 2HG1 VAL 69 2HG1 VAL 69 4.005 -7.592 0.347 437 3HG1 VAL 69 3HG1 VAL 69 2.892 -6.203 0.298 438 1HG2 VAL 69 1HG2 VAL 69 0.475 -7.466 0.821 439 2HG2 VAL 69 2HG2 VAL 69 0.245 -6.954 -0.866 440 3HG2 VAL 69 3HG2 VAL 69 0.018 -8.660 -0.418 441 H ARG 70 H ARG 70 3.942 -6.349 -3.591 442 HA ARG 70 HA ARG 70 6.045 -8.312 -3.437 443 1HB ARG 70 1HB ARG 70 5.317 -6.061 -5.301 444 2HB ARG 70 2HB ARG 70 7.013 -6.570 -5.248 445 1HG ARG 70 1HG ARG 70 6.156 -8.960 -5.599 446 2HG ARG 70 2HG ARG 70 4.569 -8.252 -5.949 447 1HD ARG 70 1HD ARG 70 5.210 -7.729 -8.048 448 2HD ARG 70 2HD ARG 70 6.648 -6.876 -7.463 449 HE ARG 70 HE ARG 70 7.928 -8.824 -7.827 450 1HH1 ARG 70 1HH1 ARG 70 4.503 -9.537 -8.195 451 2HH1 ARG 70 2HH1 ARG 70 4.773 -11.104 -8.881 452 1HH2 ARG 70 1HH2 ARG 70 8.286 -10.891 -8.733 453 2HH2 ARG 70 2HH2 ARG 70 6.938 -11.879 -9.188 454 H ARG 71 H ARG 71 6.535 -7.636 -1.131 455 HA ARG 71 HA ARG 71 7.114 -5.306 -0.142 456 1HB ARG 71 1HB ARG 71 7.551 -7.222 1.201 457 2HB ARG 71 2HB ARG 71 8.726 -7.883 0.048 458 1HG ARG 71 1HG ARG 71 10.230 -5.938 0.557 459 2HG ARG 71 2HG ARG 71 9.076 -5.395 1.787 460 1HD ARG 71 1HD ARG 71 10.921 -6.694 2.799 461 2HD ARG 71 2HD ARG 71 9.381 -7.543 3.009 462 HE ARG 71 HE ARG 71 10.288 -8.646 0.695 463 1HH1 ARG 71 1HH1 ARG 71 11.922 -8.047 3.752 464 2HH1 ARG 71 2HH1 ARG 71 13.012 -9.384 3.578 465 1HH2 ARG 71 1HH2 ARG 71 11.725 -10.410 0.463 466 2HH2 ARG 71 2HH2 ARG 71 12.898 -10.737 1.697 467 H SER 72 H SER 72 9.102 -7.010 -2.594 468 HA SER 72 HA SER 72 11.089 -4.933 -2.481 469 1HB SER 72 1HB SER 72 12.464 -6.365 -3.648 470 2HB SER 72 2HB SER 72 11.382 -7.558 -2.904 471 HG SER 72 HG SER 72 11.348 -6.525 -5.601 472 H PHE 73 H PHE 73 11.060 -3.147 -3.807 473 HA PHE 73 HA PHE 73 10.160 -3.263 -6.467 474 1HB PHE 73 1HB PHE 73 8.268 -1.476 -5.827 475 2HB PHE 73 2HB PHE 73 7.902 -3.201 -5.710 476 HD1 PHE 73 1HD PHE 73 9.785 -0.902 -3.446 477 HD2 PHE 73 2HD PHE 73 6.451 -3.482 -3.934 478 HE1 PHE 73 1HE PHE 73 9.194 -0.596 -1.027 479 HE2 PHE 73 2HE PHE 73 5.860 -3.175 -1.513 480 HZ PHE 73 HZ PHE 73 7.237 -1.736 -0.089 481 H GLU 74 H GLU 74 10.043 -0.942 -7.426 482 HA GLU 74 HA GLU 74 12.213 0.508 -6.191 483 1HB GLU 74 1HB GLU 74 12.221 -0.122 -8.635 484 2HB GLU 74 2HB GLU 74 10.881 1.010 -8.887 485 1HG GLU 74 1HG GLU 74 12.417 2.774 -7.778 486 2HG GLU 74 2HG GLU 74 13.733 1.613 -8.013 487 HE2 GLU 74 HE2 GLU 74 12.745 3.833 -11.001 488 H GLY 75 H GLY 75 11.325 1.690 -4.475 489 1HA GLY 75 1HA GLY 75 8.825 2.952 -4.510 490 2HA GLY 75 2HA GLY 75 10.168 3.315 -3.443 491 H PHE 76 H PHE 76 8.357 5.289 -4.531 492 HA PHE 76 HA PHE 76 10.301 6.829 -6.088 493 1HB PHE 76 1HB PHE 76 7.462 6.010 -6.630 494 2HB PHE 76 2HB PHE 76 7.802 7.714 -6.946 495 HD1 PHE 76 1HD PHE 76 9.456 4.418 -7.590 496 HD2 PHE 76 2HD PHE 76 8.306 8.201 -9.131 497 HE1 PHE 76 1HE PHE 76 10.409 3.796 -9.828 498 HE2 PHE 76 2HE PHE 76 9.258 7.578 -11.367 499 HZ PHE 76 HZ PHE 76 10.299 5.383 -11.688 500 H LEU 77 H LEU 77 10.784 8.716 -5.075 501 HA LEU 77 HA LEU 77 9.656 9.486 -2.697 502 1HB LEU 77 1HB LEU 77 10.900 11.367 -4.684 503 2HB LEU 77 2HB LEU 77 10.893 11.486 -2.916 504 HG LEU 77 HG LEU 77 12.468 9.598 -4.671 505 1HD1 LEU 77 1HD1 LEU 77 14.173 10.727 -2.837 506 2HD1 LEU 77 2HD1 LEU 77 13.927 11.281 -4.509 507 3HD1 LEU 77 3HD1 LEU 77 13.035 12.053 -3.176 508 1HD2 LEU 77 1HD2 LEU 77 11.981 8.076 -3.046 509 2HD2 LEU 77 2HD2 LEU 77 13.366 8.890 -2.275 510 3HD2 LEU 77 3HD2 LEU 77 11.703 9.320 -1.801 511 H PHE 78 H PHE 78 8.124 11.087 -2.069 512 HA PHE 78 HA PHE 78 5.859 11.175 -3.733 513 1HB PHE 78 1HB PHE 78 5.329 11.393 -1.464 514 2HB PHE 78 2HB PHE 78 6.859 12.194 -1.089 515 HD1 PHE 78 1HD PHE 78 4.011 13.079 -3.342 516 HD2 PHE 78 2HD PHE 78 6.425 14.196 -0.038 517 HE1 PHE 78 1HE PHE 78 2.807 15.278 -3.208 518 HE2 PHE 78 2HE PHE 78 5.223 16.395 0.097 519 HZ PHE 78 HZ PHE 78 3.427 16.910 -1.489 520 H ASP 79 H ASP 79 8.641 13.335 -3.232 521 HA ASP 79 HA ASP 79 7.571 15.686 -4.088 522 1HB ASP 79 1HB ASP 79 9.880 15.325 -3.184 523 2HB ASP 79 2HB ASP 79 10.347 14.579 -4.720 524 HD2 ASP 79 HD2 ASP 79 11.327 18.088 -4.692 525 H GLY 80 H GLY 80 9.330 13.132 -6.012 526 1HA GLY 80 1HA GLY 80 7.687 12.955 -8.168 527 2HA GLY 80 2HA GLY 80 8.666 14.363 -8.528 528 H THR 81 H THR 81 10.990 13.232 -6.879 529 HA THR 81 HA THR 81 12.177 11.770 -9.052 530 HB THR 81 HB THR 81 13.046 12.883 -6.355 531 HG1 THR 81 1HG THR 81 12.876 14.150 -8.400 532 1HG2 THR 81 1HG2 THR 81 14.228 10.627 -6.859 533 2HG2 THR 81 2HG2 THR 81 14.871 11.417 -8.317 534 3HG2 THR 81 3HG2 THR 81 15.286 12.052 -6.707 535 H ARG 82 H ARG 82 12.897 9.638 -9.097 536 HA ARG 82 HA ARG 82 11.362 7.962 -7.334 537 1HB ARG 82 1HB ARG 82 11.786 6.193 -8.903 538 2HB ARG 82 2HB ARG 82 11.487 7.637 -9.884 539 1HG ARG 82 1HG ARG 82 14.120 7.911 -9.706 540 2HG ARG 82 2HG ARG 82 14.080 6.174 -9.355 541 1HD ARG 82 1HD ARG 82 13.261 5.638 -11.481 542 2HD ARG 82 2HD ARG 82 12.535 7.234 -11.729 543 HE ARG 82 HE ARG 82 15.469 7.239 -11.518 544 1HH1 ARG 82 1HH1 ARG 82 12.707 7.002 -13.685 545 2HH1 ARG 82 2HH1 ARG 82 13.602 7.489 -15.088 546 1HH2 ARG 82 1HH2 ARG 82 16.650 7.880 -13.366 547 2HH2 ARG 82 2HH2 ARG 82 15.861 7.992 -14.903 548 H TRP 83 H TRP 83 12.301 6.409 -5.902 549 HA TRP 83 HA TRP 83 15.159 6.847 -5.413 550 1HB TRP 83 1HB TRP 83 13.891 7.427 -3.520 551 2HB TRP 83 2HB TRP 83 12.882 5.984 -3.640 552 HD1 TRP 83 HD TRP 83 13.880 3.732 -2.545 553 HE1 TRP 83 1HE TRP 83 15.903 3.145 -0.955 554 HE3 TRP 83 3HE TRP 83 16.280 8.182 -3.082 555 HZ2 TRP 83 2HZ TRP 83 18.227 4.572 -0.119 556 HZ3 TRP 83 3HZ TRP 83 18.419 8.505 -1.845 557 HH2 TRP 83 HH TRP 83 19.395 6.789 -0.403 558 H GLY 84 H GLY 84 13.170 4.080 -4.325 559 1HA GLY 84 1HA GLY 84 13.301 2.149 -6.077 560 2HA GLY 84 2HA GLY 84 15.013 2.280 -5.728 561 H THR 85 H THR 85 15.713 2.098 -3.389 562 HA THR 85 HA THR 85 15.725 1.060 -1.421 563 HB THR 85 HB THR 85 12.713 1.344 -1.830 564 HG1 THR 85 1HG THR 85 13.392 2.800 0.118 565 1HG2 THR 85 1HG2 THR 85 12.518 0.853 0.618 566 2HG2 THR 85 2HG2 THR 85 13.076 -0.580 -0.278 567 3HG2 THR 85 3HG2 THR 85 14.236 0.395 0.655 568 H VAL 86 H VAL 86 13.163 -0.476 -3.485 569 HA VAL 86 HA VAL 86 13.011 -2.546 -4.260 570 HB VAL 86 HB VAL 86 15.820 -2.878 -3.189 571 1HG1 VAL 86 1HG1 VAL 86 15.938 -4.968 -4.075 572 2HG1 VAL 86 2HG1 VAL 86 14.187 -4.943 -3.759 573 3HG1 VAL 86 3HG1 VAL 86 14.801 -4.596 -5.394 574 1HG2 VAL 86 1HG2 VAL 86 15.451 -1.114 -4.961 575 2HG2 VAL 86 2HG2 VAL 86 16.591 -2.410 -5.401 576 3HG2 VAL 86 3HG2 VAL 86 14.931 -2.422 -6.051 577 H ASP 87 H ASP 87 15.099 -4.041 -1.897 578 HA ASP 87 HA ASP 87 13.095 -5.559 -0.841 579 1HB ASP 87 1HB ASP 87 15.829 -5.418 -0.602 580 2HB ASP 87 2HB ASP 87 15.334 -4.897 1.015 581 HD2 ASP 87 HD2 ASP 87 15.177 -8.205 1.840 582 H CYS 88 H CYS 88 11.271 -4.313 -0.106 583 HA CYS 88 HA CYS 88 11.667 -2.090 1.631 584 1HB CYS 88 1HB CYS 88 9.813 -2.342 -0.041 585 2HB CYS 88 2HB CYS 88 9.085 -3.538 1.035 586 H THR 89 H THR 89 13.097 -3.859 2.952 587 HA THR 89 HA THR 89 11.317 -5.196 4.875 588 HB THR 89 HB THR 89 13.060 -6.516 3.512 589 HG1 THR 89 1HG THR 89 12.248 -7.261 5.576 590 1HG2 THR 89 1HG2 THR 89 14.911 -4.936 5.374 591 2HG2 THR 89 2HG2 THR 89 15.384 -6.418 4.507 592 3HG2 THR 89 3HG2 THR 89 14.970 -4.947 3.594 593 H THR 90 H THR 90 13.459 -2.499 4.407 594 HA THR 90 HA THR 90 13.964 -2.253 7.264 595 HB THR 90 HB THR 90 15.753 -1.819 5.546 596 HG1 THR 90 1HG THR 90 16.370 -0.128 6.880 597 1HG2 THR 90 1HG2 THR 90 15.646 0.147 4.133 598 2HG2 THR 90 2HG2 THR 90 14.139 -0.750 3.830 599 3HG2 THR 90 3HG2 THR 90 14.125 0.682 4.888 600 H ALA 91 H ALA 91 12.401 -0.308 4.627 601 HA ALA 91 HA ALA 91 11.084 1.257 6.691 602 1HB ALA 91 1HB ALA 91 11.616 1.498 3.746 603 2HB ALA 91 2HB ALA 91 10.211 2.353 4.422 604 3HB ALA 91 3HB ALA 91 11.842 2.693 5.046 605 H ALA 92 H ALA 92 9.126 0.672 7.468 606 HA ALA 92 HA ALA 92 7.726 -1.523 6.470 607 1HB ALA 92 1HB ALA 92 5.859 -0.231 7.931 608 2HB ALA 92 2HB ALA 92 7.210 -1.125 8.669 609 3HB ALA 92 3HB ALA 92 7.307 0.644 8.485 610 H CYS 93 H CYS 93 6.494 -1.734 4.675 611 HA CYS 93 HA CYS 93 5.710 0.695 3.307 612 1HB CYS 93 1HB CYS 93 4.868 -1.742 2.017 613 2HB CYS 93 2HB CYS 93 5.950 -0.471 1.440 614 H GLN 94 H GLN 94 3.606 1.465 3.333 615 HA GLN 94 HA GLN 94 1.714 -0.143 4.824 616 1HB GLN 94 1HB GLN 94 1.806 2.794 4.064 617 2HB GLN 94 2HB GLN 94 0.381 2.055 4.815 618 1HG GLN 94 1HG GLN 94 1.450 1.751 6.850 619 2HG GLN 94 2HG GLN 94 3.056 1.601 6.118 620 1HE2 GLN 94 1HE2 GLN 94 1.568 3.348 8.228 621 2HE2 GLN 94 2HE2 GLN 94 2.123 4.957 7.905 622 H VAL 95 H VAL 95 0.432 -1.473 3.615 623 HA VAL 95 HA VAL 95 -0.106 -0.746 0.861 624 HB VAL 95 HB VAL 95 -1.122 -3.200 2.249 625 1HG1 VAL 95 1HG1 VAL 95 -0.559 -2.305 -0.533 626 2HG1 VAL 95 2HG1 VAL 95 -0.212 -4.009 -0.154 627 3HG1 VAL 95 3HG1 VAL 95 -1.849 -3.357 0.100 628 1HG2 VAL 95 1HG2 VAL 95 0.948 -3.751 2.908 629 2HG2 VAL 95 2HG2 VAL 95 1.315 -3.972 1.179 630 3HG2 VAL 95 3HG2 VAL 95 1.689 -2.426 1.976 631 H GLY 96 H GLY 96 -1.710 0.735 0.582 632 1HA GLY 96 1HA GLY 96 -4.355 0.073 1.516 633 2HA GLY 96 2HA GLY 96 -3.671 1.486 2.297 634 H LEU 97 H LEU 97 -5.892 2.004 0.872 635 HA LEU 97 HA LEU 97 -4.948 2.944 -1.741 636 1HB LEU 97 1HB LEU 97 -7.422 3.190 -2.174 637 2HB LEU 97 2HB LEU 97 -6.766 1.544 -2.091 638 HG LEU 97 HG LEU 97 -7.848 2.602 0.447 639 1HD1 LEU 97 1HD1 LEU 97 -9.596 3.584 -0.671 640 2HD1 LEU 97 2HD1 LEU 97 -9.531 2.430 -2.026 641 3HD1 LEU 97 3HD1 LEU 97 -10.221 1.931 -0.461 642 1HD2 LEU 97 1HD2 LEU 97 -8.845 0.340 0.537 643 2HD2 LEU 97 2HD2 LEU 97 -8.188 0.009 -1.085 644 3HD2 LEU 97 3HD2 LEU 97 -7.084 0.317 0.277 645 H SER 98 H SER 98 -4.363 5.038 -1.839 646 HA SER 98 HA SER 98 -5.102 6.757 0.303 647 1HB SER 98 1HB SER 98 -3.748 8.447 -1.007 648 2HB SER 98 2HB SER 98 -2.865 6.971 -0.574 649 HG SER 98 HG SER 98 -4.145 7.454 -3.129 650 H ASP 99 H ASP 99 -5.920 9.084 -0.275 651 HA ASP 99 HA ASP 99 -8.338 8.718 -1.709 652 1HB ASP 99 1HB ASP 99 -7.445 11.460 -0.937 653 2HB ASP 99 2HB ASP 99 -9.014 10.684 -0.680 654 HD2 ASP 99 HD2 ASP 99 -7.217 9.047 2.161 655 H ALA 100 H ALA 100 -9.012 10.334 -3.477 656 HA ALA 100 HA ALA 100 -6.861 10.595 -5.372 657 1HB ALA 100 1HB ALA 100 -8.720 11.331 -6.871 658 2HB ALA 100 2HB ALA 100 -9.038 9.762 -6.093 659 3HB ALA 100 3HB ALA 100 -9.835 11.233 -5.487 660 H ALA 101 H ALA 101 -7.577 12.331 -2.706 661 HA ALA 101 HA ALA 101 -7.547 14.955 -3.940 662 1HB ALA 101 1HB ALA 101 -8.356 13.773 -1.413 663 2HB ALA 101 2HB ALA 101 -7.261 15.150 -1.136 664 3HB ALA 101 3HB ALA 101 -8.749 15.373 -2.088 665 H GLY 102 H GLY 102 -5.729 13.953 -1.012 666 1HA GLY 102 1HA GLY 102 -3.178 13.831 -2.200 667 2HA GLY 102 2HA GLY 102 -3.471 15.469 -1.650 668 H ASN 103 H ASN 103 -4.705 12.390 -0.210 669 HA ASN 103 HA ASN 103 -2.841 12.700 1.959 670 1HB ASN 103 1HB ASN 103 -5.762 12.349 2.672 671 2HB ASN 103 2HB ASN 103 -4.451 12.981 3.679 672 1HD2 ASN 103 1HD2 ASN 103 -6.935 13.644 1.413 673 2HD2 ASN 103 2HD2 ASN 103 -6.759 15.365 1.304 674 H GLY 104 H GLY 104 -2.515 10.648 3.059 675 1HA GLY 104 1HA GLY 104 -4.199 8.403 2.169 676 2HA GLY 104 2HA GLY 104 -2.461 8.332 1.953 677 HA PRO 105 HA PRO 105 -3.296 8.342 6.628 678 1HB PRO 105 1HB PRO 105 -5.872 8.210 7.527 679 2HB PRO 105 2HB PRO 105 -4.973 9.721 7.393 680 1HG PRO 105 1HG PRO 105 -7.085 8.610 5.661 681 2HG PRO 105 2HG PRO 105 -6.532 10.316 5.801 682 1HD PRO 105 1HD PRO 105 -5.983 8.430 3.715 683 2HD PRO 105 2HD PRO 105 -5.285 10.046 3.889 684 H GLU 106 H GLU 106 -5.302 6.452 4.557 685 HA GLU 106 HA GLU 106 -5.255 4.263 6.402 686 1HB GLU 106 1HB GLU 106 -6.989 5.041 4.429 687 2HB GLU 106 2HB GLU 106 -6.095 3.758 3.594 688 1HG GLU 106 1HG GLU 106 -8.081 2.854 4.743 689 2HG GLU 106 2HG GLU 106 -6.603 2.202 5.466 690 HE2 GLU 106 HE2 GLU 106 -7.407 3.536 8.524 691 H GLY 107 H GLY 107 -4.085 2.294 6.141 692 1HA GLY 107 1HA GLY 107 -2.605 1.508 3.952 693 2HA GLY 107 2HA GLY 107 -1.549 2.563 4.870 694 H VAL 108 H VAL 108 -2.670 -0.628 4.518 695 HA VAL 108 HA VAL 108 -2.579 -1.451 7.229 696 HB VAL 108 HB VAL 108 -3.744 -2.529 5.230 697 1HG1 VAL 108 1HG1 VAL 108 -1.163 -2.647 4.205 698 2HG1 VAL 108 2HG1 VAL 108 -1.489 -4.321 4.724 699 3HG1 VAL 108 3HG1 VAL 108 -2.588 -3.511 3.582 700 1HG2 VAL 108 1HG2 VAL 108 -2.377 -4.793 6.439 701 2HG2 VAL 108 2HG2 VAL 108 -2.790 -3.559 7.653 702 3HG2 VAL 108 3HG2 VAL 108 -4.063 -4.251 6.620 703 H ALA 109 H ALA 109 -0.925 -2.865 8.201 704 HA ALA 109 HA ALA 109 1.711 -1.892 7.501 705 1HB ALA 109 1HB ALA 109 0.616 -3.560 9.796 706 2HB ALA 109 2HB ALA 109 2.323 -3.081 9.634 707 3HB ALA 109 3HB ALA 109 1.062 -1.838 9.834 708 H ILE 110 H ILE 110 2.635 -2.924 5.775 709 HA ILE 110 HA ILE 110 2.023 -5.585 5.098 710 HB ILE 110 HB ILE 110 2.813 -3.729 3.594 711 1HG1 ILE 110 1HG1 ILE 110 4.085 -6.465 3.525 712 2HG1 ILE 110 2HG1 ILE 110 2.613 -5.924 2.699 713 1HG2 ILE 110 1HG2 ILE 110 5.636 -4.492 4.143 714 2HG2 ILE 110 2HG2 ILE 110 4.946 -2.958 3.559 715 3HG2 ILE 110 3HG2 ILE 110 4.853 -3.375 5.287 716 1HD1 ILE 110 1HD1 ILE 110 5.271 -4.572 2.154 717 2HD1 ILE 110 2HD1 ILE 110 4.856 -6.101 1.344 718 3HD1 ILE 110 3HD1 ILE 110 3.832 -4.663 1.114 719 H SER 111 H SER 111 2.670 -7.436 6.046 720 HA SER 111 HA SER 111 4.564 -7.324 8.126 721 1HB SER 111 1HB SER 111 2.485 -8.952 7.567 722 2HB SER 111 2HB SER 111 3.796 -9.963 6.930 723 HG SER 111 HG SER 111 4.848 -9.544 9.104 724 H PHE 112 H PHE 112 6.149 -6.289 6.345 725 HA PHE 112 HA PHE 112 7.337 -7.732 4.383 726 1HB PHE 112 1HB PHE 112 9.414 -6.323 5.180 727 2HB PHE 112 2HB PHE 112 7.953 -5.425 4.756 728 HD1 PHE 112 1HD PHE 112 9.995 -6.686 7.558 729 HD2 PHE 112 2HD PHE 112 6.786 -4.163 6.401 730 HE1 PHE 112 1HE PHE 112 10.006 -5.627 9.833 731 HE2 PHE 112 2HE PHE 112 6.797 -3.103 8.676 732 HZ PHE 112 HZ PHE 112 8.408 -3.848 10.364 733 H ASN 113 H ASN 113 9.255 -9.050 4.217 734 HA ASN 113 HA ASN 113 9.400 -10.959 6.250 735 1HB ASN 113 1HB ASN 113 10.088 -10.878 3.597 736 2HB ASN 113 2HB ASN 113 11.693 -10.732 4.327 737 1HD2 ASN 113 1HD2 ASN 113 12.683 -12.491 5.000 738 2HD2 ASN 113 2HD2 ASN 113 11.984 -14.066 5.191 739 6H NCZ 130 6H NCZ 130 1.473 13.945 1.455 740 6H1 NCZ 130 6H1 NCZ 130 -0.288 11.640 1.731 741 5H1 NCZ 130 5H1 NCZ 130 1.467 11.927 3.688 742 4H1 NCZ 130 4H1 NCZ 130 3.852 11.238 2.489 743 5H NCZ 130 5H NCZ 130 3.414 12.257 -0.971 744 3H1 NCZ 130 3H1 NCZ 130 3.214 10.322 0.321 745 2H1 NCZ 130 2H1 NCZ 130 1.511 11.837 -0.529 746 2H NCZ 130 2H NCZ 130 -0.014 9.104 -3.853 747 8H NCZ 130 8H NCZ 130 -0.876 6.010 -3.899 748 7H NCZ 130 7H NCZ 130 -1.588 4.641 -1.968 749 3H NCZ 130 3H NCZ 130 -0.879 4.873 2.674 750 1H17 NCZ 130 1H17 NCZ 130 1.171 8.185 4.905 751 2H17 NCZ 130 2H17 NCZ 130 1.817 8.567 3.291 752 3H17 NCZ 130 3H17 NCZ 130 0.123 8.943 3.683 753 1H18 NCZ 130 1H18 NCZ 130 -1.613 3.461 -0.574 754 2H18 NCZ 130 2H18 NCZ 130 -1.510 3.187 1.181 755 3H18 NCZ 130 3H18 NCZ 130 -2.841 4.154 0.510 756 1H NCZ 130 1H NCZ 130 1.120 8.299 1.175 Start of MODEL 18 1 H ALA 1 H ALA 1 -6.787 -7.181 9.484 2 HA ALA 1 HA ALA 1 -7.813 -6.701 7.555 3 1HB ALA 1 1HB ALA 1 -8.475 -9.670 7.388 4 2HB ALA 1 2HB ALA 1 -8.700 -8.474 6.088 5 3HB ALA 1 3HB ALA 1 -7.061 -8.878 6.652 6 H ALA 2 H ALA 2 -9.481 -5.385 8.110 7 HA ALA 2 HA ALA 2 -12.078 -6.184 8.165 8 1HB ALA 2 1HB ALA 2 -10.741 -6.922 10.614 9 2HB ALA 2 2HB ALA 2 -11.961 -5.673 10.961 10 3HB ALA 2 3HB ALA 2 -12.437 -7.179 10.144 11 HA PRO 3 HA PRO 3 -11.479 -1.847 9.945 12 1HB PRO 3 1HB PRO 3 -9.025 -1.047 10.838 13 2HB PRO 3 2HB PRO 3 -10.278 -1.676 11.903 14 1HG PRO 3 1HG PRO 3 -7.839 -2.975 10.869 15 2HG PRO 3 2HG PRO 3 -8.832 -3.429 12.301 16 1HD PRO 3 1HD PRO 3 -8.727 -4.693 9.735 17 2HD PRO 3 2HD PRO 3 -9.838 -5.079 11.053 18 H THR 4 H THR 4 -11.938 -0.938 8.020 19 HA THR 4 HA THR 4 -11.546 0.036 6.059 20 HB THR 4 HB THR 4 -9.909 1.733 6.138 21 HG1 THR 4 1HG THR 4 -7.808 1.116 6.611 22 1HG2 THR 4 1HG2 THR 4 -11.159 1.499 8.458 23 2HG2 THR 4 2HG2 THR 4 -9.603 0.859 9.036 24 3HG2 THR 4 3HG2 THR 4 -9.697 2.511 8.379 25 H ALA 5 H ALA 5 -8.825 0.291 4.770 26 HA ALA 5 HA ALA 5 -8.964 -2.251 3.435 27 1HB ALA 5 1HB ALA 5 -8.541 -0.682 1.840 28 2HB ALA 5 2HB ALA 5 -7.783 0.437 2.999 29 3HB ALA 5 3HB ALA 5 -6.845 -0.919 2.329 30 H THR 6 H THR 6 -7.935 -4.026 4.193 31 HA THR 6 HA THR 6 -5.229 -3.675 5.242 32 HB THR 6 HB THR 6 -6.078 -5.436 7.060 33 HG1 THR 6 1HG THR 6 -8.416 -3.833 6.296 34 1HG2 THR 6 1HG2 THR 6 -7.332 -3.143 8.109 35 2HG2 THR 6 2HG2 THR 6 -5.618 -3.574 8.319 36 3HG2 THR 6 3HG2 THR 6 -6.108 -2.484 6.998 37 H VAL 7 H VAL 7 -3.887 -5.535 5.064 38 HA VAL 7 HA VAL 7 -4.717 -7.197 2.856 39 HB VAL 7 HB VAL 7 -2.190 -6.547 4.297 40 1HG1 VAL 7 1HG1 VAL 7 -0.992 -8.378 3.151 41 2HG1 VAL 7 2HG1 VAL 7 -2.170 -8.988 4.338 42 3HG1 VAL 7 3HG1 VAL 7 -2.550 -9.039 2.599 43 1HG2 VAL 7 1HG2 VAL 7 -2.700 -5.236 2.360 44 2HG2 VAL 7 2HG2 VAL 7 -1.388 -6.351 1.914 45 3HG2 VAL 7 3HG2 VAL 7 -3.056 -6.688 1.396 46 H THR 8 H THR 8 -5.337 -9.322 2.961 47 HA THR 8 HA THR 8 -6.522 -10.466 5.017 48 HB THR 8 HB THR 8 -4.832 -11.541 2.754 49 HG1 THR 8 1HG THR 8 -7.046 -10.874 2.445 50 1HG2 THR 8 1HG2 THR 8 -4.626 -13.122 4.839 51 2HG2 THR 8 2HG2 THR 8 -6.376 -13.377 4.634 52 3HG2 THR 8 3HG2 THR 8 -5.251 -13.828 3.328 53 HA PRO 9 HA PRO 9 -2.770 -12.225 7.128 54 1HB PRO 9 1HB PRO 9 -0.315 -12.274 5.931 55 2HB PRO 9 2HB PRO 9 -1.456 -13.611 5.841 56 1HG PRO 9 1HG PRO 9 -0.757 -11.572 3.826 57 2HG PRO 9 2HG PRO 9 -1.532 -13.179 3.576 58 1HD PRO 9 1HD PRO 9 -2.747 -10.588 3.517 59 2HD PRO 9 2HD PRO 9 -3.578 -12.145 3.426 60 H SER 10 H SER 10 -0.083 -11.500 7.612 61 HA SER 10 HA SER 10 -0.235 -8.623 7.708 62 1HB SER 10 1HB SER 10 -1.118 -10.055 9.889 63 2HB SER 10 2HB SER 10 0.584 -9.799 10.306 64 HG SER 10 HG SER 10 -0.381 -7.465 9.342 65 H SER 11 H SER 11 1.645 -11.311 9.305 66 HA SER 11 HA SER 11 4.034 -10.056 8.219 67 1HB SER 11 1HB SER 11 4.191 -10.213 10.584 68 2HB SER 11 2HB SER 11 3.545 -11.864 10.611 69 HG SER 11 HG SER 11 5.529 -12.616 10.346 70 H GLY 12 H GLY 12 5.825 -11.619 7.523 71 1HA GLY 12 1HA GLY 12 6.553 -13.589 6.602 72 2HA GLY 12 2HA GLY 12 4.953 -14.287 6.772 73 H LEU 13 H LEU 13 5.100 -11.062 5.394 74 HA LEU 13 HA LEU 13 4.229 -12.166 2.859 75 1HB LEU 13 1HB LEU 13 4.383 -9.312 3.808 76 2HB LEU 13 2HB LEU 13 3.581 -9.894 2.338 77 HG LEU 13 HG LEU 13 2.693 -9.925 5.168 78 1HD1 LEU 13 1HD1 LEU 13 0.628 -9.297 4.281 79 2HD1 LEU 13 2HD1 LEU 13 1.810 -8.504 3.212 80 3HD1 LEU 13 3HD1 LEU 13 0.990 -9.993 2.685 81 1HD2 LEU 13 1HD2 LEU 13 2.266 -12.268 3.320 82 2HD2 LEU 13 2HD2 LEU 13 2.779 -12.258 5.025 83 3HD2 LEU 13 3HD2 LEU 13 1.100 -11.850 4.598 84 H SER 14 H SER 14 5.265 -11.767 0.851 85 HA SER 14 HA SER 14 7.912 -10.593 1.093 86 1HB SER 14 1HB SER 14 7.805 -13.213 1.109 87 2HB SER 14 2HB SER 14 7.477 -13.048 -0.627 88 HG SER 14 HG SER 14 9.816 -12.290 0.872 89 H ASP 15 H ASP 15 8.841 -10.107 -1.198 90 HA ASP 15 HA ASP 15 7.041 -8.529 -2.536 91 1HB ASP 15 1HB ASP 15 8.782 -8.373 -4.286 92 2HB ASP 15 2HB ASP 15 9.494 -8.253 -2.670 93 HD2 ASP 15 HD2 ASP 15 10.899 -11.526 -3.103 94 H GLY 16 H GLY 16 5.142 -9.799 -3.107 95 1HA GLY 16 1HA GLY 16 4.449 -10.651 -5.372 96 2HA GLY 16 2HA GLY 16 5.609 -11.938 -5.096 97 H THR 17 H THR 17 3.862 -10.604 -2.323 98 HA THR 17 HA THR 17 2.571 -13.183 -1.961 99 HB THR 17 HB THR 17 2.655 -10.701 -0.168 100 HG1 THR 17 1HG THR 17 4.279 -13.143 -0.308 101 1HG2 THR 17 1HG2 THR 17 1.516 -13.398 0.090 102 2HG2 THR 17 2HG2 THR 17 2.793 -13.123 1.299 103 3HG2 THR 17 3HG2 THR 17 1.397 -12.022 1.214 104 H VAL 18 H VAL 18 0.770 -13.501 -3.141 105 HA VAL 18 HA VAL 18 -0.969 -11.293 -3.720 106 HB VAL 18 HB VAL 18 -1.437 -14.239 -4.184 107 1HG1 VAL 18 1HG1 VAL 18 -2.324 -11.937 -5.924 108 2HG1 VAL 18 2HG1 VAL 18 -2.962 -13.595 -5.846 109 3HG1 VAL 18 3HG1 VAL 18 -3.277 -12.457 -4.514 110 1HG2 VAL 18 1HG2 VAL 18 0.557 -12.439 -5.391 111 2HG2 VAL 18 2HG2 VAL 18 0.459 -14.216 -5.393 112 3HG2 VAL 18 3HG2 VAL 18 -0.483 -13.271 -6.572 113 H VAL 19 H VAL 19 -2.648 -10.593 -2.501 114 HA VAL 19 HA VAL 19 -4.039 -12.473 -0.810 115 HB VAL 19 HB VAL 19 -3.751 -11.032 1.194 116 1HG1 VAL 19 1HG1 VAL 19 -1.547 -11.914 1.814 117 2HG1 VAL 19 2HG1 VAL 19 -2.502 -13.131 0.935 118 3HG1 VAL 19 3HG1 VAL 19 -1.194 -12.255 0.104 119 1HG2 VAL 19 1HG2 VAL 19 -1.470 -9.686 1.048 120 2HG2 VAL 19 2HG2 VAL 19 -1.911 -9.578 -0.672 121 3HG2 VAL 19 3HG2 VAL 19 -3.016 -8.944 0.571 122 H LYS 20 H LYS 20 -5.925 -11.226 0.338 123 HA LYS 20 HA LYS 20 -6.968 -9.363 -1.665 124 1HB LYS 20 1HB LYS 20 -9.096 -10.120 -1.175 125 2HB LYS 20 2HB LYS 20 -8.124 -11.598 -1.078 126 1HG LYS 20 1HG LYS 20 -8.337 -11.741 1.219 127 2HG LYS 20 2HG LYS 20 -8.464 -9.989 1.439 128 1HD LYS 20 1HD LYS 20 -10.745 -9.965 0.968 129 2HD LYS 20 2HD LYS 20 -10.676 -11.432 -0.023 130 1HE LYS 20 1HE LYS 20 -9.851 -12.109 2.645 131 2HE LYS 20 2HE LYS 20 -11.345 -11.171 2.770 132 1HZ LYS 20 1HZ LYS 20 -11.649 -12.944 0.690 133 2HZ LYS 20 2HZ LYS 20 -11.000 -13.802 1.918 134 3HZ LYS 20 3HZ LYS 20 -12.392 -12.982 2.143 135 H VAL 21 H VAL 21 -7.551 -7.281 -1.132 136 HA VAL 21 HA VAL 21 -6.970 -6.525 1.646 137 HB VAL 21 HB VAL 21 -6.685 -5.097 -0.990 138 1HG1 VAL 21 1HG1 VAL 21 -7.415 -3.231 0.046 139 2HG1 VAL 21 2HG1 VAL 21 -7.255 -3.946 1.667 140 3HG1 VAL 21 3HG1 VAL 21 -5.829 -3.261 0.854 141 1HG2 VAL 21 1HG2 VAL 21 -4.796 -6.478 -0.279 142 2HG2 VAL 21 2HG2 VAL 21 -4.373 -4.750 -0.203 143 3HG2 VAL 21 3HG2 VAL 21 -4.754 -5.642 1.291 144 H ALA 22 H ALA 22 -8.881 -6.554 2.752 145 HA ALA 22 HA ALA 22 -11.286 -5.688 1.380 146 1HB ALA 22 1HB ALA 22 -12.432 -6.581 3.312 147 2HB ALA 22 2HB ALA 22 -11.175 -7.748 2.834 148 3HB ALA 22 3HB ALA 22 -10.910 -6.677 4.232 149 H GLY 23 H GLY 23 -12.129 -3.663 1.543 150 1HA GLY 23 1HA GLY 23 -10.943 -1.890 3.593 151 2HA GLY 23 2HA GLY 23 -11.461 -1.381 1.999 152 H ALA 24 H ALA 24 -12.591 -2.629 5.175 153 HA ALA 24 HA ALA 24 -15.345 -2.095 4.490 154 1HB ALA 24 1HB ALA 24 -15.595 -3.736 6.003 155 2HB ALA 24 2HB ALA 24 -13.865 -3.660 6.422 156 3HB ALA 24 3HB ALA 24 -15.033 -2.612 7.265 157 H GLY 25 H GLY 25 -16.503 -0.279 5.033 158 1HA GLY 25 1HA GLY 25 -16.963 1.760 5.864 159 2HA GLY 25 2HA GLY 25 -15.817 1.453 7.153 160 H LEU 26 H LEU 26 -14.478 1.027 3.971 161 HA LEU 26 HA LEU 26 -12.841 3.366 4.368 162 1HB LEU 26 1HB LEU 26 -12.329 0.900 3.460 163 2HB LEU 26 2HB LEU 26 -12.606 1.727 1.915 164 HG LEU 26 HG LEU 26 -10.487 2.245 4.000 165 1HD1 LEU 26 1HD1 LEU 26 -10.239 1.814 1.012 166 2HD1 LEU 26 2HD1 LEU 26 -8.937 1.833 2.229 167 3HD1 LEU 26 3HD1 LEU 26 -10.131 0.513 2.224 168 1HD2 LEU 26 1HD2 LEU 26 -11.679 4.376 3.152 169 2HD2 LEU 26 2HD2 LEU 26 -9.903 4.302 3.087 170 3HD2 LEU 26 3HD2 LEU 26 -10.857 4.038 1.609 171 H GLN 27 H GLN 27 -12.622 3.456 1.251 172 HA GLN 27 HA GLN 27 -13.980 5.747 0.870 173 1HB GLN 27 1HB GLN 27 -13.267 3.566 -1.121 174 2HB GLN 27 2HB GLN 27 -13.848 5.165 -1.615 175 1HG GLN 27 1HG GLN 27 -11.235 4.350 -0.395 176 2HG GLN 27 2HG GLN 27 -11.555 5.550 -1.656 177 1HE2 GLN 27 1HE2 GLN 27 -12.970 7.427 -0.860 178 2HE2 GLN 27 2HE2 GLN 27 -12.510 8.157 0.644 179 H ALA 28 H ALA 28 -16.105 5.769 1.728 180 HA ALA 28 HA ALA 28 -18.020 3.812 1.218 181 1HB ALA 28 1HB ALA 28 -19.495 5.286 2.290 182 2HB ALA 28 2HB ALA 28 -17.915 5.782 2.938 183 3HB ALA 28 3HB ALA 28 -18.683 6.731 1.643 184 H GLY 29 H GLY 29 -17.995 3.209 -0.997 185 1HA GLY 29 1HA GLY 29 -18.838 3.277 -3.085 186 2HA GLY 29 2HA GLY 29 -19.712 4.737 -2.668 187 H THR 30 H THR 30 -16.395 5.095 -1.877 188 HA THR 30 HA THR 30 -16.029 6.806 -4.205 189 HB THR 30 HB THR 30 -13.806 6.943 -2.441 190 HG1 THR 30 1HG THR 30 -16.405 6.865 -1.092 191 1HG2 THR 30 1HG2 THR 30 -14.983 8.927 -3.411 192 2HG2 THR 30 2HG2 THR 30 -16.411 8.560 -2.412 193 3HG2 THR 30 3HG2 THR 30 -14.884 9.052 -1.639 194 H ALA 31 H ALA 31 -13.530 6.867 -4.902 195 HA ALA 31 HA ALA 31 -12.571 4.129 -5.184 196 1HB ALA 31 1HB ALA 31 -12.826 4.014 -7.448 197 2HB ALA 31 2HB ALA 31 -14.150 5.163 -7.142 198 3HB ALA 31 3HB ALA 31 -12.559 5.760 -7.672 199 H TYR 32 H TYR 32 -10.515 4.210 -4.432 200 HA TYR 32 HA TYR 32 -8.991 6.659 -5.014 201 1HB TYR 32 1HB TYR 32 -9.216 4.668 -2.712 202 2HB TYR 32 2HB TYR 32 -7.704 5.561 -2.911 203 HD1 TYR 32 1HD TYR 32 -8.444 6.216 -0.472 204 HD2 TYR 32 2HD TYR 32 -10.431 7.537 -4.022 205 HE1 TYR 32 1HE TYR 32 -9.449 8.168 0.809 206 HE2 TYR 32 2HE TYR 32 -11.430 9.485 -2.730 207 HH TYR 32 HH TYR 32 -10.310 10.374 0.340 208 H ASP 33 H ASP 33 -6.446 5.787 -4.353 209 HA ASP 33 HA ASP 33 -6.052 3.790 -6.431 210 1HB ASP 33 1HB ASP 33 -4.902 6.303 -6.022 211 2HB ASP 33 2HB ASP 33 -3.659 5.198 -5.418 212 HD2 ASP 33 HD2 ASP 33 -2.678 4.424 -8.594 213 H VAL 34 H VAL 34 -5.705 1.748 -5.541 214 HA VAL 34 HA VAL 34 -4.809 1.492 -2.833 215 HB VAL 34 HB VAL 34 -6.208 -0.049 -4.767 216 1HG1 VAL 34 1HG1 VAL 34 -5.166 -2.193 -4.702 217 2HG1 VAL 34 2HG1 VAL 34 -3.916 -1.034 -5.213 218 3HG1 VAL 34 3HG1 VAL 34 -3.939 -1.640 -3.539 219 1HG2 VAL 34 1HG2 VAL 34 -5.511 -0.528 -1.852 220 2HG2 VAL 34 2HG2 VAL 34 -6.969 0.260 -2.501 221 3HG2 VAL 34 3HG2 VAL 34 -6.700 -1.478 -2.774 222 H GLY 35 H GLY 35 -2.795 0.812 -2.086 223 1HA GLY 35 1HA GLY 35 -0.775 -0.362 -3.551 224 2HA GLY 35 2HA GLY 35 -0.570 1.365 -3.779 225 H GLN 36 H GLN 36 1.325 -0.300 -2.402 226 HA GLN 36 HA GLN 36 0.855 0.302 0.387 227 1HB GLN 36 1HB GLN 36 2.803 -1.125 0.817 228 2HB GLN 36 2HB GLN 36 1.648 -1.969 -0.232 229 1HG GLN 36 1HG GLN 36 3.401 -0.507 -1.939 230 2HG GLN 36 2HG GLN 36 4.428 -1.296 -0.733 231 1HE2 GLN 36 1HE2 GLN 36 4.670 -2.022 -3.301 232 2HE2 GLN 36 2HE2 GLN 36 4.016 -3.597 -3.596 233 H CYS 37 H CYS 37 1.312 2.431 0.858 234 HA CYS 37 HA CYS 37 3.760 3.524 -0.308 235 1HB CYS 37 1HB CYS 37 1.356 4.600 -0.476 236 2HB CYS 37 2HB CYS 37 1.766 5.227 1.123 237 H ALA 38 H ALA 38 5.289 4.591 1.136 238 HA ALA 38 HA ALA 38 4.930 4.884 3.867 239 1HB ALA 38 1HB ALA 38 4.752 2.535 4.163 240 2HB ALA 38 2HB ALA 38 6.058 2.206 3.001 241 3HB ALA 38 3HB ALA 38 6.437 2.924 4.585 242 H TRP 39 H TRP 39 7.146 5.229 4.979 243 HA TRP 39 HA TRP 39 8.727 6.784 3.174 244 1HB TRP 39 1HB TRP 39 9.968 7.419 5.136 245 2HB TRP 39 2HB TRP 39 8.233 7.557 5.425 246 HD1 TRP 39 HD TRP 39 7.157 5.521 7.041 247 HE1 TRP 39 1HE TRP 39 8.167 4.148 9.057 248 HE3 TRP 39 3HE TRP 39 12.028 6.500 5.956 249 HZ2 TRP 39 2HZ TRP 39 10.829 3.638 9.949 250 HZ3 TRP 39 3HZ TRP 39 13.770 5.526 7.450 251 HH2 TRP 39 HH TRP 39 13.235 4.139 9.389 252 H VAL 40 H VAL 40 10.288 5.905 1.884 253 HA VAL 40 HA VAL 40 11.496 3.391 2.791 254 HB VAL 40 HB VAL 40 10.202 3.879 0.496 255 1HG1 VAL 40 1HG1 VAL 40 11.828 4.224 -1.327 256 2HG1 VAL 40 2HG1 VAL 40 11.730 5.637 -0.249 257 3HG1 VAL 40 3HG1 VAL 40 13.107 4.516 -0.122 258 1HG2 VAL 40 1HG2 VAL 40 10.987 1.830 -0.222 259 2HG2 VAL 40 2HG2 VAL 40 12.658 2.163 0.300 260 3HG2 VAL 40 3HG2 VAL 40 11.409 1.766 1.505 261 H ASP 41 H ASP 41 12.165 6.669 1.439 262 HA ASP 41 HA ASP 41 14.969 6.250 1.699 263 1HB ASP 41 1HB ASP 41 13.327 7.954 0.233 264 2HB ASP 41 2HB ASP 41 14.016 9.042 1.447 265 HD2 ASP 41 HD2 ASP 41 16.147 8.781 -1.551 266 H THR 42 H THR 42 15.712 8.905 2.664 267 HA THR 42 HA THR 42 15.600 8.466 5.453 268 HB THR 42 HB THR 42 16.558 10.690 3.602 269 HG1 THR 42 1HG THR 42 17.691 8.587 3.912 270 1HG2 THR 42 1HG2 THR 42 17.699 10.871 6.248 271 2HG2 THR 42 2HG2 THR 42 16.798 12.124 5.363 272 3HG2 THR 42 3HG2 THR 42 15.929 10.977 6.410 273 H GLY 43 H GLY 43 13.305 8.211 5.859 274 1HA GLY 43 1HA GLY 43 11.377 8.994 6.706 275 2HA GLY 43 2HA GLY 43 12.154 10.552 6.911 276 H VAL 44 H VAL 44 12.114 9.108 3.685 277 HA VAL 44 HA VAL 44 10.240 11.201 2.873 278 HB VAL 44 HB VAL 44 12.128 9.513 1.221 279 1HG1 VAL 44 1HG1 VAL 44 10.469 11.969 0.570 280 2HG1 VAL 44 2HG1 VAL 44 11.767 11.333 -0.471 281 3HG1 VAL 44 3HG1 VAL 44 10.326 10.342 -0.135 282 1HG2 VAL 44 1HG2 VAL 44 12.514 12.068 2.722 283 2HG2 VAL 44 2HG2 VAL 44 13.662 10.751 2.386 284 3HG2 VAL 44 3HG2 VAL 44 13.260 11.928 1.113 285 H LEU 45 H LEU 45 8.150 10.605 2.663 286 HA LEU 45 HA LEU 45 7.390 7.891 2.640 287 1HB LEU 45 1HB LEU 45 6.102 9.770 3.587 288 2HB LEU 45 2HB LEU 45 5.759 10.334 1.944 289 HG LEU 45 HG LEU 45 5.026 7.538 2.746 290 1HD1 LEU 45 1HD1 LEU 45 2.965 8.184 3.719 291 2HD1 LEU 45 2HD1 LEU 45 4.226 9.139 4.534 292 3HD1 LEU 45 3HD1 LEU 45 3.209 9.892 3.285 293 1HD2 LEU 45 1HD2 LEU 45 3.081 8.134 1.180 294 2HD2 LEU 45 2HD2 LEU 45 4.055 9.554 0.728 295 3HD2 LEU 45 3HD2 LEU 45 4.697 7.914 0.463 296 H ALA 46 H ALA 46 8.065 6.618 0.961 297 HA ALA 46 HA ALA 46 7.521 7.659 -1.734 298 1HB ALA 46 1HB ALA 46 9.269 5.354 -1.679 299 2HB ALA 46 2HB ALA 46 9.597 6.998 -2.279 300 3HB ALA 46 3HB ALA 46 9.883 6.602 -0.566 301 H CYS 47 H CYS 47 6.274 6.417 -3.147 302 HA CYS 47 HA CYS 47 4.873 4.226 -1.839 303 1HB CYS 47 1HB CYS 47 4.195 5.690 -4.390 304 2HB CYS 47 2HB CYS 47 3.191 4.489 -3.572 305 H ASN 48 H ASN 48 4.475 2.220 -3.159 306 HA ASN 48 HA ASN 48 6.894 1.500 -4.479 307 1HB ASN 48 1HB ASN 48 4.378 0.102 -3.578 308 2HB ASN 48 2HB ASN 48 5.363 -0.703 -4.808 309 1HD2 ASN 48 1HD2 ASN 48 6.548 1.461 -2.298 310 2HD2 ASN 48 2HD2 ASN 48 7.449 0.297 -1.385 311 HA PRO 49 HA PRO 49 5.306 1.762 -8.560 312 1HB PRO 49 1HB PRO 49 6.348 -0.415 -9.840 313 2HB PRO 49 2HB PRO 49 7.277 1.048 -9.516 314 1HG PRO 49 1HG PRO 49 7.334 -1.571 -8.162 315 2HG PRO 49 2HG PRO 49 8.584 -0.276 -8.153 316 1HD PRO 49 1HD PRO 49 6.737 -0.981 -6.082 317 2HD PRO 49 2HD PRO 49 7.838 0.404 -6.088 318 H ALA 50 H ALA 50 4.522 -1.022 -6.756 319 HA ALA 50 HA ALA 50 2.381 -1.639 -8.655 320 1HB ALA 50 1HB ALA 50 4.193 -3.228 -7.203 321 2HB ALA 50 2HB ALA 50 2.635 -3.421 -6.362 322 3HB ALA 50 3HB ALA 50 2.760 -3.787 -8.101 323 H ASP 51 H ASP 51 2.745 0.636 -6.474 324 HA ASP 51 HA ASP 51 0.561 -0.033 -4.744 325 1HB ASP 51 1HB ASP 51 1.838 1.309 -3.444 326 2HB ASP 51 2HB ASP 51 2.736 1.933 -4.835 327 HD2 ASP 51 HD2 ASP 51 0.611 4.719 -5.064 328 H PHE 52 H PHE 52 0.698 0.751 -7.906 329 HA PHE 52 HA PHE 52 -1.387 2.804 -7.786 330 1HB PHE 52 1HB PHE 52 0.050 1.780 -10.267 331 2HB PHE 52 2HB PHE 52 -0.596 3.399 -9.980 332 HD1 PHE 52 1HD PHE 52 2.278 2.134 -10.799 333 HD2 PHE 52 2HD PHE 52 0.649 4.038 -7.374 334 HE1 PHE 52 1HE PHE 52 4.571 2.915 -10.141 335 HE2 PHE 52 2HE PHE 52 2.942 4.818 -6.718 336 HZ PHE 52 HZ PHE 52 4.876 4.248 -8.110 337 H SER 53 H SER 53 -3.114 1.312 -7.244 338 HA SER 53 HA SER 53 -4.017 -0.079 -9.606 339 1HB SER 53 1HB SER 53 -3.257 -2.023 -8.675 340 2HB SER 53 2HB SER 53 -3.259 -1.373 -7.026 341 HG SER 53 HG SER 53 -5.023 -3.045 -8.082 342 H SER 54 H SER 54 -5.605 1.616 -9.773 343 HA SER 54 HA SER 54 -7.043 2.821 -7.960 344 1HB SER 54 1HB SER 54 -8.839 3.034 -9.558 345 2HB SER 54 2HB SER 54 -7.316 2.980 -10.465 346 HG SER 54 HG SER 54 -9.198 0.815 -10.063 347 H VAL 55 H VAL 55 -9.062 2.493 -6.776 348 HA VAL 55 HA VAL 55 -10.160 -0.173 -6.721 349 HB VAL 55 HB VAL 55 -8.128 -0.178 -5.220 350 1HG1 VAL 55 1HG1 VAL 55 -7.839 1.495 -3.775 351 2HG1 VAL 55 2HG1 VAL 55 -9.434 2.172 -4.181 352 3HG1 VAL 55 3HG1 VAL 55 -9.286 0.950 -2.893 353 1HG2 VAL 55 1HG2 VAL 55 -9.170 -1.549 -3.583 354 2HG2 VAL 55 2HG2 VAL 55 -10.716 -0.679 -3.725 355 3HG2 VAL 55 3HG2 VAL 55 -10.153 -1.716 -5.058 356 H THR 56 H THR 56 -12.192 -0.235 -5.453 357 HA THR 56 HA THR 56 -13.214 2.352 -4.614 358 HB THR 56 HB THR 56 -13.663 1.324 -7.247 359 HG1 THR 56 1HG THR 56 -15.196 3.251 -7.053 360 1HG2 THR 56 1HG2 THR 56 -15.478 -0.123 -6.393 361 2HG2 THR 56 2HG2 THR 56 -16.120 1.221 -5.417 362 3HG2 THR 56 3HG2 THR 56 -16.194 1.297 -7.195 363 H ALA 57 H ALA 57 -14.604 2.209 -2.923 364 HA ALA 57 HA ALA 57 -15.170 -0.518 -2.033 365 1HB ALA 57 1HB ALA 57 -15.865 1.333 -0.029 366 2HB ALA 57 2HB ALA 57 -14.393 0.336 -0.101 367 3HB ALA 57 3HB ALA 57 -14.383 1.986 -0.768 368 H ASP 58 H ASP 58 -17.250 -1.292 -1.867 369 HA ASP 58 HA ASP 58 -19.215 -0.213 -3.367 370 1HB ASP 58 1HB ASP 58 -19.937 -1.670 -0.824 371 2HB ASP 58 2HB ASP 58 -20.626 -1.863 -2.445 372 HD2 ASP 58 HD2 ASP 58 -17.297 -3.604 -2.946 373 H ALA 59 H ALA 59 -21.389 0.737 -2.613 374 HA ALA 59 HA ALA 59 -21.167 3.104 -1.362 375 1HB ALA 59 1HB ALA 59 -23.171 1.754 -2.532 376 2HB ALA 59 2HB ALA 59 -23.663 1.532 -0.837 377 3HB ALA 59 3HB ALA 59 -23.466 3.173 -1.498 378 H ASN 60 H ASN 60 -21.245 -0.110 0.124 379 HA ASN 60 HA ASN 60 -21.689 1.012 2.723 380 1HB ASN 60 1HB ASN 60 -22.464 -1.323 1.820 381 2HB ASN 60 2HB ASN 60 -20.804 -1.845 2.138 382 1HD2 ASN 60 1HD2 ASN 60 -21.367 -3.267 3.732 383 2HD2 ASN 60 2HD2 ASN 60 -21.928 -2.793 5.300 384 H GLY 61 H GLY 61 -19.314 1.914 1.202 385 1HA GLY 61 1HA GLY 61 -17.063 2.078 1.322 386 2HA GLY 61 2HA GLY 61 -17.344 2.007 3.049 387 H SER 62 H SER 62 -17.751 -0.531 0.484 388 HA SER 62 HA SER 62 -15.877 -2.132 2.042 389 1HB SER 62 1HB SER 62 -17.956 -3.251 0.145 390 2HB SER 62 2HB SER 62 -17.103 -4.092 1.452 391 HG SER 62 HG SER 62 -18.783 -1.849 2.058 392 H ALA 63 H ALA 63 -13.920 -1.760 0.975 393 HA ALA 63 HA ALA 63 -13.955 -2.079 -1.942 394 1HB ALA 63 1HB ALA 63 -12.963 -0.031 -1.655 395 2HB ALA 63 2HB ALA 63 -12.403 -0.413 -0.009 396 3HB ALA 63 3HB ALA 63 -11.517 -1.046 -1.418 397 H SER 64 H SER 64 -14.037 -4.416 -1.838 398 HA SER 64 HA SER 64 -11.800 -5.653 -0.498 399 1HB SER 64 1HB SER 64 -12.979 -7.789 -1.282 400 2HB SER 64 2HB SER 64 -13.860 -6.792 -0.110 401 HG SER 64 HG SER 64 -15.340 -6.261 -1.622 402 H THR 65 H THR 65 -10.123 -4.800 -1.950 403 HA THR 65 HA THR 65 -10.214 -5.990 -4.642 404 HB THR 65 HB THR 65 -10.059 -3.379 -4.141 405 HG1 THR 65 1HG THR 65 -9.493 -3.660 -6.260 406 1HG2 THR 65 1HG2 THR 65 -8.119 -3.387 -2.627 407 2HG2 THR 65 2HG2 THR 65 -7.188 -4.383 -3.773 408 3HG2 THR 65 3HG2 THR 65 -7.607 -2.704 -4.189 409 H SER 66 H SER 66 -8.663 -7.394 -5.317 410 HA SER 66 HA SER 66 -6.847 -8.227 -3.220 411 1HB SER 66 1HB SER 66 -6.648 -10.305 -4.412 412 2HB SER 66 2HB SER 66 -8.371 -9.892 -4.367 413 HG SER 66 HG SER 66 -6.887 -10.454 -6.515 414 H LEU 67 H LEU 67 -4.579 -8.173 -3.473 415 HA LEU 67 HA LEU 67 -3.455 -7.580 -6.046 416 1HB LEU 67 1HB LEU 67 -4.294 -5.416 -4.665 417 2HB LEU 67 2HB LEU 67 -2.642 -5.575 -4.045 418 HG LEU 67 HG LEU 67 -3.078 -4.045 -6.066 419 1HD1 LEU 67 1HD1 LEU 67 -0.869 -4.109 -6.307 420 2HD1 LEU 67 2HD1 LEU 67 -0.863 -5.536 -5.242 421 3HD1 LEU 67 3HD1 LEU 67 -0.926 -5.743 -7.010 422 1HD2 LEU 67 1HD2 LEU 67 -4.444 -5.933 -7.201 423 2HD2 LEU 67 2HD2 LEU 67 -3.360 -4.927 -8.192 424 3HD2 LEU 67 3HD2 LEU 67 -2.855 -6.561 -7.699 425 H THR 68 H THR 68 -0.960 -7.395 -5.793 426 HA THR 68 HA THR 68 -0.195 -9.398 -3.789 427 HB THR 68 HB THR 68 1.195 -8.442 -6.349 428 HG1 THR 68 1HG THR 68 -0.395 -9.756 -7.156 429 1HG2 THR 68 1HG2 THR 68 1.683 -10.706 -4.363 430 2HG2 THR 68 2HG2 THR 68 2.199 -10.841 -6.062 431 3HG2 THR 68 3HG2 THR 68 2.865 -9.553 -5.029 432 H VAL 69 H VAL 69 1.417 -9.078 -2.292 433 HA VAL 69 HA VAL 69 2.028 -6.282 -1.822 434 HB VAL 69 HB VAL 69 2.555 -8.777 -0.194 435 1HG1 VAL 69 1HG1 VAL 69 2.453 -6.197 1.203 436 2HG1 VAL 69 2HG1 VAL 69 3.620 -7.534 1.344 437 3HG1 VAL 69 3HG1 VAL 69 3.801 -6.323 0.050 438 1HG2 VAL 69 1HG2 VAL 69 0.595 -6.857 0.833 439 2HG2 VAL 69 2HG2 VAL 69 0.115 -7.572 -0.726 440 3HG2 VAL 69 3HG2 VAL 69 0.486 -8.626 0.659 441 H ARG 70 H ARG 70 3.489 -5.869 -3.576 442 HA ARG 70 HA ARG 70 5.833 -7.516 -3.680 443 1HB ARG 70 1HB ARG 70 5.006 -5.042 -5.263 444 2HB ARG 70 2HB ARG 70 6.455 -6.002 -5.606 445 1HG ARG 70 1HG ARG 70 3.982 -7.604 -5.398 446 2HG ARG 70 2HG ARG 70 3.931 -6.412 -6.709 447 1HD ARG 70 1HD ARG 70 5.894 -7.328 -7.739 448 2HD ARG 70 2HD ARG 70 6.296 -8.292 -6.308 449 HE ARG 70 HE ARG 70 3.785 -9.206 -7.037 450 1HH1 ARG 70 1HH1 ARG 70 6.841 -8.851 -8.742 451 2HH1 ARG 70 2HH1 ARG 70 6.541 -10.175 -9.819 452 1HH2 ARG 70 1HH2 ARG 70 3.387 -10.952 -8.457 453 2HH2 ARG 70 2HH2 ARG 70 4.563 -11.377 -9.656 454 H ARG 71 H ARG 71 6.634 -6.955 -1.482 455 HA ARG 71 HA ARG 71 7.094 -4.352 -0.711 456 1HB ARG 71 1HB ARG 71 7.330 -6.820 0.455 457 2HB ARG 71 2HB ARG 71 9.043 -6.412 0.246 458 1HG ARG 71 1HG ARG 71 8.727 -5.380 2.264 459 2HG ARG 71 2HG ARG 71 8.130 -4.054 1.253 460 1HD ARG 71 1HD ARG 71 6.463 -6.213 2.615 461 2HD ARG 71 2HD ARG 71 6.531 -4.503 3.070 462 HE ARG 71 HE ARG 71 5.695 -5.092 0.291 463 1HH1 ARG 71 1HH1 ARG 71 4.706 -4.335 3.584 464 2HH1 ARG 71 2HH1 ARG 71 3.127 -3.796 3.122 465 1HH2 ARG 71 1HH2 ARG 71 3.612 -4.380 -0.318 466 2HH2 ARG 71 2HH2 ARG 71 2.498 -3.822 0.887 467 H SER 72 H SER 72 8.772 -6.460 -2.957 468 HA SER 72 HA SER 72 11.101 -4.726 -2.877 469 1HB SER 72 1HB SER 72 11.552 -7.127 -2.693 470 2HB SER 72 2HB SER 72 10.675 -7.440 -4.202 471 HG SER 72 HG SER 72 12.677 -5.518 -4.478 472 H PHE 73 H PHE 73 11.423 -3.234 -4.504 473 HA PHE 73 HA PHE 73 11.008 -3.536 -7.144 474 1HB PHE 73 1HB PHE 73 8.518 -3.365 -5.655 475 2HB PHE 73 2HB PHE 73 8.674 -1.878 -6.596 476 HD1 PHE 73 1HD PHE 73 10.121 -3.061 -8.976 477 HD2 PHE 73 2HD PHE 73 6.742 -4.399 -6.785 478 HE1 PHE 73 1HE PHE 73 9.286 -4.280 -11.005 479 HE2 PHE 73 2HE PHE 73 5.907 -5.617 -8.815 480 HZ PHE 73 HZ PHE 73 7.189 -5.542 -10.901 481 H GLU 74 H GLU 74 10.278 -1.146 -8.173 482 HA GLU 74 HA GLU 74 12.188 0.590 -6.917 483 1HB GLU 74 1HB GLU 74 12.097 0.147 -9.405 484 2HB GLU 74 2HB GLU 74 10.584 1.065 -9.461 485 1HG GLU 74 1HG GLU 74 12.023 2.900 -8.198 486 2HG GLU 74 2HG GLU 74 13.394 2.026 -8.896 487 HE2 GLU 74 HE2 GLU 74 10.959 4.061 -11.300 488 H GLY 75 H GLY 75 11.580 2.042 -5.378 489 1HA GLY 75 1HA GLY 75 8.762 2.775 -5.165 490 2HA GLY 75 2HA GLY 75 10.032 3.054 -3.991 491 H PHE 76 H PHE 76 8.278 5.127 -4.614 492 HA PHE 76 HA PHE 76 10.079 6.930 -6.057 493 1HB PHE 76 1HB PHE 76 7.010 6.894 -6.108 494 2HB PHE 76 2HB PHE 76 8.047 7.933 -7.092 495 HD1 PHE 76 1HD PHE 76 8.421 7.301 -9.275 496 HD2 PHE 76 2HD PHE 76 7.446 4.303 -6.436 497 HE1 PHE 76 1HE PHE 76 8.382 5.579 -11.104 498 HE2 PHE 76 2HE PHE 76 7.406 2.583 -8.262 499 HZ PHE 76 HZ PHE 76 7.875 3.243 -10.575 500 H LEU 77 H LEU 77 10.684 8.611 -4.783 501 HA LEU 77 HA LEU 77 9.937 8.973 -2.215 502 1HB LEU 77 1HB LEU 77 10.971 10.841 -4.310 503 2HB LEU 77 2HB LEU 77 10.622 11.429 -2.675 504 HG LEU 77 HG LEU 77 12.728 10.878 -2.202 505 1HD1 LEU 77 1HD1 LEU 77 11.635 9.076 -1.027 506 2HD1 LEU 77 2HD1 LEU 77 11.671 8.052 -2.482 507 3HD1 LEU 77 3HD1 LEU 77 13.191 8.500 -1.675 508 1HD2 LEU 77 1HD2 LEU 77 14.079 9.298 -3.706 509 2HD2 LEU 77 2HD2 LEU 77 12.670 9.339 -4.794 510 3HD2 LEU 77 3HD2 LEU 77 13.534 10.845 -4.398 511 H PHE 78 H PHE 78 8.715 10.908 -1.231 512 HA PHE 78 HA PHE 78 6.031 10.706 -2.099 513 1HB PHE 78 1HB PHE 78 5.712 11.630 0.010 514 2HB PHE 78 2HB PHE 78 7.441 11.333 0.216 515 HD1 PHE 78 1HD PHE 78 4.850 13.801 0.045 516 HD2 PHE 78 2HD PHE 78 9.040 13.230 -0.327 517 HE1 PHE 78 1HE PHE 78 5.217 16.261 0.387 518 HE2 PHE 78 2HE PHE 78 9.404 15.689 0.014 519 HZ PHE 78 HZ PHE 78 7.490 17.175 0.366 520 H ASP 79 H ASP 79 8.704 12.872 -2.825 521 HA ASP 79 HA ASP 79 7.197 15.120 -3.463 522 1HB ASP 79 1HB ASP 79 9.658 15.109 -3.123 523 2HB ASP 79 2HB ASP 79 9.864 14.155 -4.601 524 HD2 ASP 79 HD2 ASP 79 10.459 17.236 -6.021 525 H GLY 80 H GLY 80 8.783 12.584 -5.562 526 1HA GLY 80 1HA GLY 80 6.737 11.930 -7.205 527 2HA GLY 80 2HA GLY 80 7.313 13.435 -7.895 528 H THR 81 H THR 81 10.143 12.868 -6.837 529 HA THR 81 HA THR 81 11.071 11.543 -9.173 530 HB THR 81 HB THR 81 12.420 13.305 -8.242 531 HG1 THR 81 1HG THR 81 14.073 11.877 -8.595 532 1HG2 THR 81 1HG2 THR 81 12.341 13.736 -5.997 533 2HG2 THR 81 2HG2 THR 81 11.550 12.170 -5.690 534 3HG2 THR 81 3HG2 THR 81 13.326 12.275 -5.744 535 H ARG 82 H ARG 82 12.038 9.529 -9.454 536 HA ARG 82 HA ARG 82 10.959 7.565 -7.730 537 1HB ARG 82 1HB ARG 82 12.984 7.193 -9.980 538 2HB ARG 82 2HB ARG 82 11.894 5.958 -9.326 539 1HG ARG 82 1HG ARG 82 10.017 6.889 -10.362 540 2HG ARG 82 2HG ARG 82 10.732 8.507 -10.467 541 1HD ARG 82 1HD ARG 82 12.090 7.902 -12.320 542 2HD ARG 82 2HD ARG 82 11.894 6.166 -12.022 543 HE ARG 82 HE ARG 82 9.418 7.652 -12.644 544 1HH1 ARG 82 1HH1 ARG 82 12.056 5.678 -13.881 545 2HH1 ARG 82 2HH1 ARG 82 11.201 5.207 -15.310 546 1HH2 ARG 82 1HH2 ARG 82 8.290 7.031 -14.531 547 2HH2 ARG 82 2HH2 ARG 82 9.045 5.983 -15.683 548 H TRP 83 H TRP 83 11.998 6.472 -6.056 549 HA TRP 83 HA TRP 83 14.721 7.319 -5.473 550 1HB TRP 83 1HB TRP 83 13.161 7.555 -3.689 551 2HB TRP 83 2HB TRP 83 12.611 5.886 -3.855 552 HD1 TRP 83 HD TRP 83 13.659 4.346 -2.036 553 HE1 TRP 83 1HE TRP 83 15.843 4.217 -0.561 554 HE3 TRP 83 3HE TRP 83 15.872 8.476 -4.013 555 HZ2 TRP 83 2HZ TRP 83 18.199 5.820 -0.391 556 HZ3 TRP 83 3HZ TRP 83 18.114 9.124 -3.135 557 HH2 TRP 83 HH TRP 83 19.274 7.871 -1.387 558 H GLY 84 H GLY 84 13.202 4.171 -4.654 559 1HA GLY 84 1HA GLY 84 14.227 2.552 -6.631 560 2HA GLY 84 2HA GLY 84 15.526 2.732 -5.469 561 H THR 85 H THR 85 14.334 2.800 -3.000 562 HA THR 85 HA THR 85 13.426 1.535 -1.413 563 HB THR 85 HB THR 85 11.610 0.747 -3.744 564 HG1 THR 85 1HG THR 85 10.270 2.211 -2.205 565 1HG2 THR 85 1HG2 THR 85 10.065 0.365 -1.565 566 2HG2 THR 85 2HG2 THR 85 11.020 -0.967 -2.258 567 3HG2 THR 85 3HG2 THR 85 11.628 -0.080 -0.839 568 H VAL 86 H VAL 86 13.477 -0.556 -4.385 569 HA VAL 86 HA VAL 86 14.468 -2.492 -4.770 570 HB VAL 86 HB VAL 86 16.194 -1.665 -2.431 571 1HG1 VAL 86 1HG1 VAL 86 16.106 -4.163 -3.969 572 2HG1 VAL 86 2HG1 VAL 86 17.707 -3.385 -3.972 573 3HG1 VAL 86 3HG1 VAL 86 16.918 -3.790 -2.429 574 1HG2 VAL 86 1HG2 VAL 86 16.990 -1.653 -5.339 575 2HG2 VAL 86 2HG2 VAL 86 16.096 -0.287 -4.630 576 3HG2 VAL 86 3HG2 VAL 86 17.685 -0.747 -3.976 577 H ASP 87 H ASP 87 15.061 -2.709 -1.234 578 HA ASP 87 HA ASP 87 12.995 -4.769 -1.198 579 1HB ASP 87 1HB ASP 87 15.660 -5.137 -0.742 580 2HB ASP 87 2HB ASP 87 15.129 -4.755 0.902 581 HD2 ASP 87 HD2 ASP 87 14.700 -8.360 -0.321 582 H CYS 88 H CYS 88 11.241 -3.640 -0.262 583 HA CYS 88 HA CYS 88 11.756 -1.744 1.836 584 1HB CYS 88 1HB CYS 88 10.107 -1.130 0.257 585 2HB CYS 88 2HB CYS 88 9.247 -2.661 0.430 586 H THR 89 H THR 89 12.764 -4.158 2.671 587 HA THR 89 HA THR 89 10.684 -5.533 4.182 588 HB THR 89 HB THR 89 12.340 -6.877 2.931 589 HG1 THR 89 1HG THR 89 13.244 -7.910 4.979 590 1HG2 THR 89 1HG2 THR 89 14.735 -6.780 4.153 591 2HG2 THR 89 2HG2 THR 89 14.386 -5.734 2.756 592 3HG2 THR 89 3HG2 THR 89 14.274 -5.079 4.409 593 H THR 90 H THR 90 13.125 -3.055 4.572 594 HA THR 90 HA THR 90 13.146 -3.384 7.461 595 HB THR 90 HB THR 90 14.590 -1.624 5.429 596 HG1 THR 90 1HG THR 90 16.332 -2.861 6.718 597 1HG2 THR 90 1HG2 THR 90 15.441 -1.631 8.300 598 2HG2 THR 90 2HG2 THR 90 15.531 -0.321 7.098 599 3HG2 THR 90 3HG2 THR 90 13.996 -0.657 7.935 600 H ALA 91 H ALA 91 11.822 -1.202 4.942 601 HA ALA 91 HA ALA 91 10.643 0.450 7.022 602 1HB ALA 91 1HB ALA 91 9.837 1.730 4.951 603 2HB ALA 91 2HB ALA 91 11.597 1.672 5.212 604 3HB ALA 91 3HB ALA 91 10.842 0.613 3.998 605 H ALA 92 H ALA 92 8.579 0.200 7.745 606 HA ALA 92 HA ALA 92 7.063 -2.009 6.835 607 1HB ALA 92 1HB ALA 92 5.747 -1.562 8.676 608 2HB ALA 92 2HB ALA 92 7.223 -0.692 9.159 609 3HB ALA 92 3HB ALA 92 5.851 0.201 8.462 610 H CYS 93 H CYS 93 6.267 -1.975 4.767 611 HA CYS 93 HA CYS 93 5.374 0.485 3.623 612 1HB CYS 93 1HB CYS 93 4.697 -2.093 2.337 613 2HB CYS 93 2HB CYS 93 5.337 -0.604 1.636 614 H GLN 94 H GLN 94 3.322 1.315 3.848 615 HA GLN 94 HA GLN 94 1.379 -0.367 5.147 616 1HB GLN 94 1HB GLN 94 1.555 2.594 4.527 617 2HB GLN 94 2HB GLN 94 0.048 1.871 5.119 618 1HG GLN 94 1HG GLN 94 0.901 1.518 7.225 619 2HG GLN 94 2HG GLN 94 2.534 1.174 6.633 620 1HE2 GLN 94 1HE2 GLN 94 1.574 2.892 8.808 621 2HE2 GLN 94 2HE2 GLN 94 2.183 4.486 8.506 622 H VAL 95 H VAL 95 -0.007 -1.586 3.948 623 HA VAL 95 HA VAL 95 -0.407 -0.887 1.168 624 HB VAL 95 HB VAL 95 -1.585 -3.206 2.692 625 1HG1 VAL 95 1HG1 VAL 95 -1.457 -4.308 0.470 626 2HG1 VAL 95 2HG1 VAL 95 -2.499 -2.866 0.469 627 3HG1 VAL 95 3HG1 VAL 95 -0.862 -2.783 -0.226 628 1HG2 VAL 95 1HG2 VAL 95 0.572 -3.710 3.207 629 2HG2 VAL 95 2HG2 VAL 95 0.575 -4.326 1.538 630 3HG2 VAL 95 3HG2 VAL 95 1.239 -2.712 1.894 631 H GLY 96 H GLY 96 -1.880 0.683 0.740 632 1HA GLY 96 1HA GLY 96 -4.597 0.308 1.603 633 2HA GLY 96 2HA GLY 96 -3.820 1.675 2.374 634 H LEU 97 H LEU 97 -5.864 2.478 0.919 635 HA LEU 97 HA LEU 97 -4.805 3.150 -1.732 636 1HB LEU 97 1HB LEU 97 -7.343 3.866 -1.930 637 2HB LEU 97 2HB LEU 97 -6.779 2.216 -2.252 638 HG LEU 97 HG LEU 97 -8.874 2.329 -0.937 639 1HD1 LEU 97 1HD1 LEU 97 -7.238 1.125 1.120 640 2HD1 LEU 97 2HD1 LEU 97 -8.314 0.362 -0.076 641 3HD1 LEU 97 3HD1 LEU 97 -6.621 0.716 -0.499 642 1HD2 LEU 97 1HD2 LEU 97 -7.546 3.099 1.573 643 2HD2 LEU 97 2HD2 LEU 97 -7.719 4.419 0.392 644 3HD2 LEU 97 3HD2 LEU 97 -9.156 3.521 0.939 645 H SER 98 H SER 98 -4.741 5.328 -2.425 646 HA SER 98 HA SER 98 -4.867 7.177 -0.183 647 1HB SER 98 1HB SER 98 -3.236 8.508 -1.300 648 2HB SER 98 2HB SER 98 -2.680 6.833 -1.470 649 HG SER 98 HG SER 98 -3.655 8.657 -3.416 650 H ASP 99 H ASP 99 -5.990 9.202 -0.413 651 HA ASP 99 HA ASP 99 -8.261 9.054 -2.002 652 1HB ASP 99 1HB ASP 99 -7.234 11.714 -1.045 653 2HB ASP 99 2HB ASP 99 -8.879 11.063 -0.970 654 HD2 ASP 99 HD2 ASP 99 -8.372 10.378 2.327 655 H ALA 100 H ALA 100 -8.880 10.810 -3.679 656 HA ALA 100 HA ALA 100 -6.652 11.153 -5.506 657 1HB ALA 100 1HB ALA 100 -8.575 10.257 -6.541 658 2HB ALA 100 2HB ALA 100 -9.667 11.371 -5.684 659 3HB ALA 100 3HB ALA 100 -8.615 11.980 -6.983 660 H ALA 101 H ALA 101 -7.277 12.731 -2.844 661 HA ALA 101 HA ALA 101 -7.419 15.403 -4.033 662 1HB ALA 101 1HB ALA 101 -8.341 14.139 -1.555 663 2HB ALA 101 2HB ALA 101 -7.417 15.630 -1.246 664 3HB ALA 101 3HB ALA 101 -8.846 15.671 -2.306 665 H GLY 102 H GLY 102 -5.409 13.177 -2.062 666 1HA GLY 102 1HA GLY 102 -2.988 13.510 -2.646 667 2HA GLY 102 2HA GLY 102 -3.233 15.175 -2.159 668 H ASN 103 H ASN 103 -4.361 12.007 -0.771 669 HA ASN 103 HA ASN 103 -2.744 12.541 1.550 670 1HB ASN 103 1HB ASN 103 -5.772 12.133 1.661 671 2HB ASN 103 2HB ASN 103 -4.716 12.124 3.082 672 1HD2 ASN 103 1HD2 ASN 103 -6.932 13.892 1.757 673 2HD2 ASN 103 2HD2 ASN 103 -6.350 15.509 1.968 674 H GLY 104 H GLY 104 -2.538 10.533 2.910 675 1HA GLY 104 1HA GLY 104 -3.609 8.095 1.652 676 2HA GLY 104 2HA GLY 104 -1.885 8.259 1.916 677 HA PRO 105 HA PRO 105 -3.885 8.139 6.210 678 1HB PRO 105 1HB PRO 105 -6.592 7.863 6.446 679 2HB PRO 105 2HB PRO 105 -5.772 9.421 6.522 680 1HG PRO 105 1HG PRO 105 -7.329 8.202 4.332 681 2HG PRO 105 2HG PRO 105 -6.917 9.935 4.585 682 1HD PRO 105 1HD PRO 105 -5.769 8.088 2.724 683 2HD PRO 105 2HD PRO 105 -5.223 9.739 3.046 684 H GLU 106 H GLU 106 -5.560 6.174 3.854 685 HA GLU 106 HA GLU 106 -5.628 3.980 5.668 686 1HB GLU 106 1HB GLU 106 -6.769 4.682 3.088 687 2HB GLU 106 2HB GLU 106 -6.118 3.033 3.047 688 1HG GLU 106 1HG GLU 106 -8.488 3.074 3.774 689 2HG GLU 106 2HG GLU 106 -7.440 2.453 5.055 690 HE2 GLU 106 HE2 GLU 106 -8.077 5.201 7.091 691 H GLY 107 H GLY 107 -4.336 2.083 5.614 692 1HA GLY 107 1HA GLY 107 -2.678 1.044 3.850 693 2HA GLY 107 2HA GLY 107 -1.745 2.454 4.310 694 H VAL 108 H VAL 108 -2.169 -0.787 4.957 695 HA VAL 108 HA VAL 108 -1.515 -0.486 7.800 696 HB VAL 108 HB VAL 108 -3.470 -1.918 6.883 697 1HG1 VAL 108 1HG1 VAL 108 -2.155 -3.068 5.135 698 2HG1 VAL 108 2HG1 VAL 108 -1.157 -3.827 6.396 699 3HG1 VAL 108 3HG1 VAL 108 -2.890 -4.214 6.282 700 1HG2 VAL 108 1HG2 VAL 108 -2.871 -1.960 9.206 701 2HG2 VAL 108 2HG2 VAL 108 -3.046 -3.646 8.666 702 3HG2 VAL 108 3HG2 VAL 108 -1.425 -2.943 8.876 703 H ALA 109 H ALA 109 0.566 -0.733 8.427 704 HA ALA 109 HA ALA 109 2.568 -1.266 6.518 705 1HB ALA 109 1HB ALA 109 2.333 -0.558 9.367 706 2HB ALA 109 2HB ALA 109 3.739 -1.587 9.006 707 3HB ALA 109 3HB ALA 109 3.528 -0.036 8.157 708 H ILE 110 H ILE 110 2.054 -3.299 5.537 709 HA ILE 110 HA ILE 110 2.200 -5.597 7.341 710 HB ILE 110 HB ILE 110 0.438 -4.997 5.339 711 1HG1 ILE 110 1HG1 ILE 110 0.549 -7.826 5.590 712 2HG1 ILE 110 2HG1 ILE 110 0.988 -7.126 7.158 713 1HG2 ILE 110 1HG2 ILE 110 2.010 -5.309 3.553 714 2HG2 ILE 110 2HG2 ILE 110 2.516 -6.886 4.206 715 3HG2 ILE 110 3HG2 ILE 110 0.874 -6.679 3.553 716 1HD1 ILE 110 1HD1 ILE 110 -1.134 -6.385 7.521 717 2HD1 ILE 110 2HD1 ILE 110 -1.282 -5.750 5.865 718 3HD1 ILE 110 3HD1 ILE 110 -1.599 -7.472 6.189 719 H SER 111 H SER 111 3.523 -7.486 6.602 720 HA SER 111 HA SER 111 5.224 -7.765 4.699 721 1HB SER 111 1HB SER 111 6.326 -5.746 4.591 722 2HB SER 111 2HB SER 111 6.183 -5.436 6.330 723 HG SER 111 HG SER 111 7.876 -6.958 6.703 724 H PHE 112 H PHE 112 5.605 -7.119 8.259 725 HA PHE 112 HA PHE 112 5.914 -9.913 8.753 726 1HB PHE 112 1HB PHE 112 8.220 -9.901 9.260 727 2HB PHE 112 2HB PHE 112 8.207 -8.707 7.959 728 HD1 PHE 112 1HD PHE 112 8.749 -9.298 11.491 729 HD2 PHE 112 2HD PHE 112 8.315 -6.292 8.527 730 HE1 PHE 112 1HE PHE 112 9.757 -7.612 13.051 731 HE2 PHE 112 2HE PHE 112 9.323 -4.607 10.088 732 HZ PHE 112 HZ PHE 112 10.033 -5.285 12.332 733 H ASN 113 H ASN 113 6.588 -10.173 11.241 734 HA ASN 113 HA ASN 113 4.616 -8.825 12.653 735 1HB ASN 113 1HB ASN 113 5.856 -11.101 13.117 736 2HB ASN 113 2HB ASN 113 7.038 -10.107 13.981 737 1HD2 ASN 113 1HD2 ASN 113 5.624 -12.051 15.266 738 2HD2 ASN 113 2HD2 ASN 113 4.486 -11.364 16.377 739 6H NCZ 130 6H NCZ 130 1.346 14.055 0.106 740 6H1 NCZ 130 6H1 NCZ 130 -0.410 11.787 0.630 741 5H1 NCZ 130 5H1 NCZ 130 1.407 12.230 2.499 742 4H1 NCZ 130 4H1 NCZ 130 3.751 11.432 1.288 743 5H NCZ 130 5H NCZ 130 3.206 12.158 -2.230 744 3H1 NCZ 130 3H1 NCZ 130 3.044 10.342 -0.774 745 2H1 NCZ 130 2H1 NCZ 130 1.309 11.770 -1.734 746 2H NCZ 130 2H NCZ 130 0.102 8.520 -4.703 747 8H NCZ 130 8H NCZ 130 -0.642 5.417 -4.345 748 7H NCZ 130 7H NCZ 130 -1.427 4.309 -2.280 749 3H NCZ 130 3H NCZ 130 -1.028 5.243 2.314 750 1H17 NCZ 130 1H17 NCZ 130 0.750 8.932 4.148 751 2H17 NCZ 130 2H17 NCZ 130 1.486 9.106 2.536 752 3H17 NCZ 130 3H17 NCZ 130 -0.243 9.456 2.769 753 1H18 NCZ 130 1H18 NCZ 130 -1.500 3.343 -0.730 754 2H18 NCZ 130 2H18 NCZ 130 -1.499 3.330 1.049 755 3H18 NCZ 130 3H18 NCZ 130 -2.820 4.131 0.167 756 1H NCZ 130 1H NCZ 130 0.938 8.503 0.445 Start of MODEL 19 1 H ALA 1 H ALA 1 -11.966 -5.739 14.794 2 HA ALA 1 HA ALA 1 -10.432 -4.391 13.898 3 1HB ALA 1 1HB ALA 1 -8.942 -6.956 13.215 4 2HB ALA 1 2HB ALA 1 -8.295 -5.311 13.009 5 3HB ALA 1 3HB ALA 1 -8.672 -5.921 14.637 6 H ALA 2 H ALA 2 -10.529 -3.293 11.951 7 HA ALA 2 HA ALA 2 -10.629 -4.521 9.456 8 1HB ALA 2 1HB ALA 2 -13.271 -3.547 9.424 9 2HB ALA 2 2HB ALA 2 -12.754 -5.249 9.341 10 3HB ALA 2 3HB ALA 2 -13.149 -4.514 10.913 11 HA PRO 3 HA PRO 3 -10.083 0.006 9.868 12 1HB PRO 3 1HB PRO 3 -7.389 0.153 9.446 13 2HB PRO 3 2HB PRO 3 -8.114 0.149 11.051 14 1HG PRO 3 1HG PRO 3 -6.731 -2.009 9.590 15 2HG PRO 3 2HG PRO 3 -7.028 -1.862 11.360 16 1HD PRO 3 1HD PRO 3 -8.362 -3.543 9.465 17 2HD PRO 3 2HD PRO 3 -8.796 -3.316 11.163 18 H THR 4 H THR 4 -11.379 0.204 8.034 19 HA THR 4 HA THR 4 -11.778 0.344 5.833 20 HB THR 4 HB THR 4 -10.344 1.995 4.764 21 HG1 THR 4 1HG THR 4 -8.410 1.423 6.869 22 1HG2 THR 4 1HG2 THR 4 -10.095 2.308 7.803 23 2HG2 THR 4 2HG2 THR 4 -9.785 3.597 6.614 24 3HG2 THR 4 3HG2 THR 4 -11.427 2.934 6.803 25 H ALA 5 H ALA 5 -8.802 0.401 4.316 26 HA ALA 5 HA ALA 5 -9.253 -2.287 3.338 27 1HB ALA 5 1HB ALA 5 -6.978 -1.079 2.133 28 2HB ALA 5 2HB ALA 5 -8.606 -1.274 1.440 29 3HB ALA 5 3HB ALA 5 -8.191 0.207 2.339 30 H THR 6 H THR 6 -8.262 -4.025 4.222 31 HA THR 6 HA THR 6 -5.578 -3.612 5.344 32 HB THR 6 HB THR 6 -6.548 -5.418 7.087 33 HG1 THR 6 1HG THR 6 -8.637 -5.458 5.975 34 1HG2 THR 6 1HG2 THR 6 -6.090 -2.655 7.227 35 2HG2 THR 6 2HG2 THR 6 -7.796 -2.806 7.712 36 3HG2 THR 6 3HG2 THR 6 -6.534 -3.691 8.603 37 H VAL 7 H VAL 7 -4.134 -5.332 5.118 38 HA VAL 7 HA VAL 7 -4.979 -7.228 3.072 39 HB VAL 7 HB VAL 7 -2.372 -6.117 4.044 40 1HG1 VAL 7 1HG1 VAL 7 -1.700 -8.013 2.102 41 2HG1 VAL 7 2HG1 VAL 7 -1.336 -8.089 3.842 42 3HG1 VAL 7 3HG1 VAL 7 -2.803 -8.870 3.204 43 1HG2 VAL 7 1HG2 VAL 7 -4.075 -5.716 1.805 44 2HG2 VAL 7 2HG2 VAL 7 -2.491 -4.975 2.134 45 3HG2 VAL 7 3HG2 VAL 7 -2.589 -6.491 1.205 46 H THR 8 H THR 8 -5.483 -9.297 3.573 47 HA THR 8 HA THR 8 -5.506 -10.187 6.228 48 HB THR 8 HB THR 8 -6.018 -11.280 3.472 49 HG1 THR 8 1HG THR 8 -7.266 -11.395 6.128 50 1HG2 THR 8 1HG2 THR 8 -6.321 -13.547 4.252 51 2HG2 THR 8 2HG2 THR 8 -4.676 -13.092 4.759 52 3HG2 THR 8 3HG2 THR 8 -6.006 -13.079 5.941 53 HA PRO 9 HA PRO 9 -1.687 -12.710 5.352 54 1HB PRO 9 1HB PRO 9 -0.629 -12.915 2.841 55 2HB PRO 9 2HB PRO 9 -1.776 -14.078 3.501 56 1HG PRO 9 1HG PRO 9 -2.188 -11.907 1.545 57 2HG PRO 9 2HG PRO 9 -3.210 -13.360 1.843 58 1HD PRO 9 1HD PRO 9 -3.698 -10.650 2.628 59 2HD PRO 9 2HD PRO 9 -4.652 -12.068 3.082 60 H SER 10 H SER 10 -1.599 -10.278 6.284 61 HA SER 10 HA SER 10 0.481 -8.897 4.860 62 1HB SER 10 1HB SER 10 -1.067 -7.365 5.660 63 2HB SER 10 2HB SER 10 -1.358 -8.264 7.159 64 HG SER 10 HG SER 10 -0.084 -6.728 7.975 65 H SER 11 H SER 11 0.478 -11.544 6.775 66 HA SER 11 HA SER 11 2.683 -10.663 8.442 67 1HB SER 11 1HB SER 11 1.177 -11.824 9.791 68 2HB SER 11 2HB SER 11 0.761 -12.987 8.522 69 HG SER 11 HG SER 11 3.270 -12.843 9.964 70 H GLY 12 H GLY 12 4.788 -11.464 8.165 71 1HA GLY 12 1HA GLY 12 6.483 -12.141 6.790 72 2HA GLY 12 2HA GLY 12 5.769 -13.699 7.155 73 H LEU 13 H LEU 13 4.675 -10.926 5.067 74 HA LEU 13 HA LEU 13 3.830 -12.755 3.045 75 1HB LEU 13 1HB LEU 13 3.324 -10.653 1.808 76 2HB LEU 13 2HB LEU 13 2.509 -10.844 3.369 77 HG LEU 13 HG LEU 13 4.805 -9.412 3.991 78 1HD1 LEU 13 1HD1 LEU 13 3.754 -7.760 1.796 79 2HD1 LEU 13 2HD1 LEU 13 5.422 -7.998 2.366 80 3HD1 LEU 13 3HD1 LEU 13 4.676 -9.189 1.273 81 1HD2 LEU 13 1HD2 LEU 13 2.768 -8.930 5.058 82 2HD2 LEU 13 2HD2 LEU 13 3.169 -7.461 4.135 83 3HD2 LEU 13 3HD2 LEU 13 1.939 -8.591 3.519 84 H SER 14 H SER 14 4.537 -11.834 0.627 85 HA SER 14 HA SER 14 7.439 -11.660 0.693 86 1HB SER 14 1HB SER 14 6.444 -14.043 0.259 87 2HB SER 14 2HB SER 14 6.049 -13.412 -1.351 88 HG SER 14 HG SER 14 8.630 -13.748 -0.110 89 H ASP 15 H ASP 15 8.367 -10.642 -1.246 90 HA ASP 15 HA ASP 15 6.845 -8.545 -2.168 91 1HB ASP 15 1HB ASP 15 8.702 -8.364 -3.928 92 2HB ASP 15 2HB ASP 15 9.227 -8.342 -2.237 93 HD2 ASP 15 HD2 ASP 15 10.541 -11.147 -4.638 94 H GLY 16 H GLY 16 4.844 -9.437 -3.072 95 1HA GLY 16 1HA GLY 16 4.018 -9.589 -5.376 96 2HA GLY 16 2HA GLY 16 5.216 -10.841 -5.650 97 H THR 17 H THR 17 3.405 -10.499 -2.580 98 HA THR 17 HA THR 17 2.259 -13.145 -3.073 99 HB THR 17 HB THR 17 3.226 -11.559 -0.751 100 HG1 THR 17 1HG THR 17 2.529 -14.373 -1.182 101 1HG2 THR 17 1HG2 THR 17 1.090 -11.557 0.230 102 2HG2 THR 17 2HG2 THR 17 0.540 -12.950 -0.730 103 3HG2 THR 17 3HG2 THR 17 1.626 -13.199 0.657 104 H VAL 18 H VAL 18 0.131 -13.543 -3.357 105 HA VAL 18 HA VAL 18 -1.534 -11.298 -3.900 106 HB VAL 18 HB VAL 18 -2.551 -14.097 -3.635 107 1HG1 VAL 18 1HG1 VAL 18 -3.049 -12.530 -6.079 108 2HG1 VAL 18 2HG1 VAL 18 -4.184 -13.398 -5.018 109 3HG1 VAL 18 3HG1 VAL 18 -3.636 -11.761 -4.585 110 1HG2 VAL 18 1HG2 VAL 18 -0.696 -14.803 -4.763 111 2HG2 VAL 18 2HG2 VAL 18 -1.646 -14.225 -6.153 112 3HG2 VAL 18 3HG2 VAL 18 -0.367 -13.198 -5.457 113 H VAL 19 H VAL 19 -2.317 -10.058 -2.269 114 HA VAL 19 HA VAL 19 -3.274 -11.492 0.112 115 HB VAL 19 HB VAL 19 -2.845 -9.421 1.335 116 1HG1 VAL 19 1HG1 VAL 19 -0.868 -11.170 0.197 117 2HG1 VAL 19 2HG1 VAL 19 -0.175 -9.539 0.373 118 3HG1 VAL 19 3HG1 VAL 19 -0.877 -10.364 1.785 119 1HG2 VAL 19 1HG2 VAL 19 -3.114 -7.703 -0.271 120 2HG2 VAL 19 2HG2 VAL 19 -1.391 -7.670 0.173 121 3HG2 VAL 19 3HG2 VAL 19 -1.901 -8.417 -1.360 122 H LYS 20 H LYS 20 -5.233 -10.575 1.145 123 HA LYS 20 HA LYS 20 -6.994 -9.485 -0.926 124 1HB LYS 20 1HB LYS 20 -7.688 -11.633 -0.110 125 2HB LYS 20 2HB LYS 20 -7.584 -11.093 1.576 126 1HG LYS 20 1HG LYS 20 -9.427 -9.577 1.288 127 2HG LYS 20 2HG LYS 20 -9.401 -9.756 -0.475 128 1HD LYS 20 1HD LYS 20 -10.930 -11.396 -0.255 129 2HD LYS 20 2HD LYS 20 -9.699 -12.385 0.551 130 1HE LYS 20 1HE LYS 20 -10.672 -12.105 2.582 131 2HE LYS 20 2HE LYS 20 -10.897 -10.367 2.340 132 1HZ LYS 20 1HZ LYS 20 -12.790 -12.357 2.177 133 2HZ LYS 20 2HZ LYS 20 -12.996 -10.765 1.879 134 3HZ LYS 20 3HZ LYS 20 -12.610 -11.781 0.659 135 H VAL 21 H VAL 21 -7.317 -7.333 -0.838 136 HA VAL 21 HA VAL 21 -6.877 -5.996 1.706 137 HB VAL 21 HB VAL 21 -7.449 -4.798 -1.005 138 1HG1 VAL 21 1HG1 VAL 21 -5.683 -3.354 0.827 139 2HG1 VAL 21 2HG1 VAL 21 -7.127 -2.797 -0.054 140 3HG1 VAL 21 3HG1 VAL 21 -7.303 -3.632 1.509 141 1HG2 VAL 21 1HG2 VAL 21 -5.187 -6.349 -0.263 142 2HG2 VAL 21 2HG2 VAL 21 -5.420 -5.373 -1.732 143 3HG2 VAL 21 3HG2 VAL 21 -4.669 -4.646 -0.293 144 H ALA 22 H ALA 22 -8.665 -6.307 3.007 145 HA ALA 22 HA ALA 22 -11.294 -6.013 1.818 146 1HB ALA 22 1HB ALA 22 -10.331 -7.690 3.712 147 2HB ALA 22 2HB ALA 22 -10.920 -6.374 4.756 148 3HB ALA 22 3HB ALA 22 -12.038 -7.190 3.635 149 H GLY 23 H GLY 23 -12.090 -3.993 1.539 150 1HA GLY 23 1HA GLY 23 -11.099 -1.824 3.218 151 2HA GLY 23 2HA GLY 23 -12.075 -1.694 1.768 152 H ALA 24 H ALA 24 -12.082 -2.128 5.274 153 HA ALA 24 HA ALA 24 -14.995 -2.330 5.286 154 1HB ALA 24 1HB ALA 24 -13.061 -2.436 7.628 155 2HB ALA 24 2HB ALA 24 -14.749 -2.996 7.578 156 3HB ALA 24 3HB ALA 24 -13.496 -3.863 6.658 157 H GLY 25 H GLY 25 -15.600 -0.218 4.639 158 1HA GLY 25 1HA GLY 25 -16.434 1.785 5.494 159 2HA GLY 25 2HA GLY 25 -15.193 1.796 6.730 160 H LEU 26 H LEU 26 -14.715 1.182 3.207 161 HA LEU 26 HA LEU 26 -12.515 2.854 3.026 162 1HB LEU 26 1HB LEU 26 -13.569 0.965 1.498 163 2HB LEU 26 2HB LEU 26 -14.205 2.372 0.627 164 HG LEU 26 HG LEU 26 -11.619 3.100 0.836 165 1HD1 LEU 26 1HD1 LEU 26 -11.494 0.543 1.857 166 2HD1 LEU 26 2HD1 LEU 26 -11.017 0.318 0.155 167 3HD1 LEU 26 3HD1 LEU 26 -10.133 1.471 1.183 168 1HD2 LEU 26 1HD2 LEU 26 -11.614 2.924 -1.407 169 2HD2 LEU 26 2HD2 LEU 26 -12.081 1.206 -1.385 170 3HD2 LEU 26 3HD2 LEU 26 -13.322 2.468 -1.180 171 H GLN 27 H GLN 27 -13.718 4.184 0.446 172 HA GLN 27 HA GLN 27 -14.355 6.604 1.840 173 1HB GLN 27 1HB GLN 27 -12.797 6.538 -0.113 174 2HB GLN 27 2HB GLN 27 -14.152 6.081 -1.158 175 1HG GLN 27 1HG GLN 27 -14.183 8.369 -1.468 176 2HG GLN 27 2HG GLN 27 -15.250 8.271 -0.057 177 1HE2 GLN 27 1HE2 GLN 27 -13.345 10.332 -1.143 178 2HE2 GLN 27 2HE2 GLN 27 -12.321 10.772 0.183 179 H ALA 28 H ALA 28 -16.324 4.636 2.291 180 HA ALA 28 HA ALA 28 -18.544 4.543 2.389 181 1HB ALA 28 1HB ALA 28 -19.074 6.638 0.342 182 2HB ALA 28 2HB ALA 28 -19.766 6.424 1.968 183 3HB ALA 28 3HB ALA 28 -18.156 7.161 1.775 184 H GLY 29 H GLY 29 -16.598 4.198 -0.384 185 1HA GLY 29 1HA GLY 29 -17.196 2.083 -1.564 186 2HA GLY 29 2HA GLY 29 -18.772 2.807 -1.831 187 H THR 30 H THR 30 -16.533 5.337 -1.839 188 HA THR 30 HA THR 30 -16.861 5.878 -4.558 189 HB THR 30 HB THR 30 -14.564 6.911 -2.853 190 HG1 THR 30 1HG THR 30 -16.390 8.318 -1.993 191 1HG2 THR 30 1HG2 THR 30 -16.290 8.925 -3.965 192 2HG2 THR 30 2HG2 THR 30 -14.606 8.569 -4.421 193 3HG2 THR 30 3HG2 THR 30 -15.947 7.753 -5.261 194 H ALA 31 H ALA 31 -14.034 6.623 -5.149 195 HA ALA 31 HA ALA 31 -12.932 3.946 -5.607 196 1HB ALA 31 1HB ALA 31 -12.516 4.472 -7.929 197 2HB ALA 31 2HB ALA 31 -14.240 4.767 -7.606 198 3HB ALA 31 3HB ALA 31 -13.108 6.136 -7.713 199 H TYR 32 H TYR 32 -10.757 3.820 -5.201 200 HA TYR 32 HA TYR 32 -9.325 6.375 -4.953 201 1HB TYR 32 1HB TYR 32 -9.821 4.043 -3.106 202 2HB TYR 32 2HB TYR 32 -8.158 4.639 -3.119 203 HD1 TYR 32 1HD TYR 32 -7.750 5.924 -1.236 204 HD2 TYR 32 2HD TYR 32 -11.516 6.327 -3.227 205 HE1 TYR 32 1HE TYR 32 -8.418 7.763 0.387 206 HE2 TYR 32 2HE TYR 32 -12.172 8.165 -1.598 207 HH TYR 32 HH TYR 32 -9.899 9.246 0.913 208 H ASP 33 H ASP 33 -6.810 5.323 -4.289 209 HA ASP 33 HA ASP 33 -6.287 3.580 -6.567 210 1HB ASP 33 1HB ASP 33 -5.613 6.129 -6.688 211 2HB ASP 33 2HB ASP 33 -4.290 5.652 -5.613 212 HD2 ASP 33 HD2 ASP 33 -3.813 5.159 -9.393 213 H VAL 34 H VAL 34 -5.307 1.685 -5.840 214 HA VAL 34 HA VAL 34 -4.381 1.539 -3.137 215 HB VAL 34 HB VAL 34 -4.412 -0.447 -5.417 216 1HG1 VAL 34 1HG1 VAL 34 -3.012 -1.655 -4.150 217 2HG1 VAL 34 2HG1 VAL 34 -3.205 -0.570 -2.753 218 3HG1 VAL 34 3HG1 VAL 34 -4.383 -1.875 -3.037 219 1HG2 VAL 34 1HG2 VAL 34 -6.558 0.605 -4.077 220 2HG2 VAL 34 2HG2 VAL 34 -6.519 -1.004 -4.839 221 3HG2 VAL 34 3HG2 VAL 34 -6.193 -0.836 -3.096 222 H GLY 35 H GLY 35 -2.357 1.966 -2.427 223 1HA GLY 35 1HA GLY 35 -0.063 1.328 -4.049 224 2HA GLY 35 2HA GLY 35 -0.346 3.050 -3.887 225 H GLN 36 H GLN 36 1.228 0.400 -2.524 226 HA GLN 36 HA GLN 36 0.903 1.059 0.200 227 1HB GLN 36 1HB GLN 36 2.674 -0.579 0.585 228 2HB GLN 36 2HB GLN 36 1.523 -1.218 -0.604 229 1HG GLN 36 1HG GLN 36 3.455 0.195 -2.109 230 2HG GLN 36 2HG GLN 36 4.388 -0.672 -0.879 231 1HE2 GLN 36 1HE2 GLN 36 5.043 -1.562 -3.119 232 2HE2 GLN 36 2HE2 GLN 36 4.251 -3.018 -3.623 233 H CYS 37 H CYS 37 1.501 3.120 0.821 234 HA CYS 37 HA CYS 37 4.037 4.123 -0.199 235 1HB CYS 37 1HB CYS 37 1.616 5.340 0.057 236 2HB CYS 37 2HB CYS 37 2.419 5.862 1.540 237 H ALA 38 H ALA 38 5.641 4.972 1.355 238 HA ALA 38 HA ALA 38 5.433 4.941 4.075 239 1HB ALA 38 1HB ALA 38 5.502 2.253 2.986 240 2HB ALA 38 2HB ALA 38 6.955 2.557 3.969 241 3HB ALA 38 3HB ALA 38 5.338 2.779 4.679 242 H TRP 39 H TRP 39 7.655 5.004 5.135 243 HA TRP 39 HA TRP 39 9.360 6.576 3.571 244 1HB TRP 39 1HB TRP 39 10.880 6.444 5.472 245 2HB TRP 39 2HB TRP 39 9.230 6.836 5.955 246 HD1 TRP 39 HD TRP 39 7.830 4.687 7.130 247 HE1 TRP 39 1HE TRP 39 8.632 2.702 8.675 248 HE3 TRP 39 3HE TRP 39 12.748 5.008 5.882 249 HZ2 TRP 39 2HZ TRP 39 11.176 1.517 9.190 250 HZ3 TRP 39 3HZ TRP 39 14.324 3.399 6.952 251 HH2 TRP 39 HH TRP 39 13.609 1.697 8.553 252 H VAL 40 H VAL 40 9.683 5.268 1.619 253 HA VAL 40 HA VAL 40 10.939 2.716 1.863 254 HB VAL 40 HB VAL 40 9.444 3.990 -0.024 255 1HG1 VAL 40 1HG1 VAL 40 12.214 3.852 -1.239 256 2HG1 VAL 40 2HG1 VAL 40 10.724 4.514 -1.952 257 3HG1 VAL 40 3HG1 VAL 40 11.516 5.359 -0.602 258 1HG2 VAL 40 1HG2 VAL 40 9.307 1.801 -0.467 259 2HG2 VAL 40 2HG2 VAL 40 10.768 1.996 -1.467 260 3HG2 VAL 40 3HG2 VAL 40 10.913 1.486 0.233 261 H ASP 41 H ASP 41 11.952 6.104 1.203 262 HA ASP 41 HA ASP 41 14.660 5.216 0.857 263 1HB ASP 41 1HB ASP 41 13.291 7.244 -0.262 264 2HB ASP 41 2HB ASP 41 13.927 8.122 1.138 265 HD2 ASP 41 HD2 ASP 41 17.185 6.997 -0.426 266 H THR 42 H THR 42 15.706 7.804 2.078 267 HA THR 42 HA THR 42 15.922 6.846 4.782 268 HB THR 42 HB THR 42 17.145 9.020 3.054 269 HG1 THR 42 1HG THR 42 17.921 6.754 3.193 270 1HG2 THR 42 1HG2 THR 42 17.213 10.309 5.013 271 2HG2 THR 42 2HG2 THR 42 17.054 8.886 6.071 272 3HG2 THR 42 3HG2 THR 42 18.616 9.251 5.301 273 H GLY 43 H GLY 43 13.494 6.998 5.109 274 1HA GLY 43 1HA GLY 43 11.976 7.987 6.488 275 2HA GLY 43 2HA GLY 43 12.986 9.414 6.601 276 H VAL 44 H VAL 44 12.289 8.133 3.388 277 HA VAL 44 HA VAL 44 10.535 10.442 2.950 278 HB VAL 44 HB VAL 44 12.096 8.809 0.944 279 1HG1 VAL 44 1HG1 VAL 44 10.351 11.245 0.785 280 2HG1 VAL 44 2HG1 VAL 44 11.734 11.093 -0.326 281 3HG1 VAL 44 3HG1 VAL 44 10.463 9.847 -0.311 282 1HG2 VAL 44 1HG2 VAL 44 13.280 10.344 2.832 283 2HG2 VAL 44 2HG2 VAL 44 13.918 10.139 1.184 284 3HG2 VAL 44 3HG2 VAL 44 12.951 11.578 1.592 285 H LEU 45 H LEU 45 8.418 9.901 3.106 286 HA LEU 45 HA LEU 45 7.509 7.259 2.858 287 1HB LEU 45 1HB LEU 45 6.561 9.524 3.927 288 2HB LEU 45 2HB LEU 45 5.615 9.492 2.429 289 HG LEU 45 HG LEU 45 5.758 7.148 4.334 290 1HD1 LEU 45 1HD1 LEU 45 3.852 9.500 4.375 291 2HD1 LEU 45 2HD1 LEU 45 3.526 7.945 5.177 292 3HD1 LEU 45 3HD1 LEU 45 4.921 8.929 5.678 293 1HD2 LEU 45 1HD2 LEU 45 4.999 6.801 1.959 294 2HD2 LEU 45 2HD2 LEU 45 3.820 6.342 3.210 295 3HD2 LEU 45 3HD2 LEU 45 3.620 7.868 2.317 296 H ALA 46 H ALA 46 8.520 6.555 0.842 297 HA ALA 46 HA ALA 46 7.436 7.779 -1.566 298 1HB ALA 46 1HB ALA 46 9.062 5.629 -2.284 299 2HB ALA 46 2HB ALA 46 9.561 7.337 -2.184 300 3HB ALA 46 3HB ALA 46 9.819 6.251 -0.796 301 H CYS 47 H CYS 47 6.166 6.620 -3.096 302 HA CYS 47 HA CYS 47 4.734 4.405 -1.867 303 1HB CYS 47 1HB CYS 47 4.007 5.952 -4.352 304 2HB CYS 47 2HB CYS 47 2.986 4.828 -3.451 305 H ASN 48 H ASN 48 4.302 2.452 -3.207 306 HA ASN 48 HA ASN 48 6.568 1.953 -4.935 307 1HB ASN 48 1HB ASN 48 4.494 0.083 -3.690 308 2HB ASN 48 2HB ASN 48 5.842 -0.468 -4.696 309 1HD2 ASN 48 1HD2 ASN 48 5.120 1.562 -1.861 310 2HD2 ASN 48 2HD2 ASN 48 6.492 1.106 -0.908 311 HA PRO 49 HA PRO 49 3.689 2.205 -8.279 312 1HB PRO 49 1HB PRO 49 5.438 1.724 -10.318 313 2HB PRO 49 2HB PRO 49 5.197 3.321 -9.615 314 1HG PRO 49 1HG PRO 49 7.404 1.399 -9.242 315 2HG PRO 49 2HG PRO 49 7.390 3.173 -8.921 316 1HD PRO 49 1HD PRO 49 7.261 1.020 -7.034 317 2HD PRO 49 2HD PRO 49 7.083 2.745 -6.683 318 H ALA 50 H ALA 50 4.797 -0.423 -6.874 319 HA ALA 50 HA ALA 50 3.893 -2.211 -9.005 320 1HB ALA 50 1HB ALA 50 5.724 -3.323 -8.296 321 2HB ALA 50 2HB ALA 50 5.858 -2.318 -6.833 322 3HB ALA 50 3HB ALA 50 4.782 -3.738 -6.843 323 H ASP 51 H ASP 51 2.597 -0.403 -6.529 324 HA ASP 51 HA ASP 51 0.702 -2.516 -5.871 325 1HB ASP 51 1HB ASP 51 1.911 -1.564 -3.929 326 2HB ASP 51 2HB ASP 51 1.376 0.063 -4.378 327 HD2 ASP 51 HD2 ASP 51 -0.854 -2.024 -2.025 328 H PHE 52 H PHE 52 1.298 0.490 -7.505 329 HA PHE 52 HA PHE 52 -1.045 1.878 -7.254 330 1HB PHE 52 1HB PHE 52 1.022 1.359 -9.423 331 2HB PHE 52 2HB PHE 52 -0.384 2.343 -9.839 332 HD1 PHE 52 1HD PHE 52 1.533 2.245 -6.653 333 HD2 PHE 52 2HD PHE 52 0.509 4.478 -10.112 334 HE1 PHE 52 1HE PHE 52 2.679 4.260 -5.690 335 HE2 PHE 52 2HE PHE 52 1.655 6.495 -9.149 336 HZ PHE 52 HZ PHE 52 2.726 6.360 -6.951 337 H SER 53 H SER 53 -3.031 0.852 -7.269 338 HA SER 53 HA SER 53 -3.858 -0.141 -9.816 339 1HB SER 53 1HB SER 53 -2.926 -2.005 -7.971 340 2HB SER 53 2HB SER 53 -4.680 -2.049 -7.723 341 HG SER 53 HG SER 53 -3.303 -3.278 -9.629 342 H SER 54 H SER 54 -5.554 1.314 -10.004 343 HA SER 54 HA SER 54 -6.917 2.460 -7.976 344 1HB SER 54 1HB SER 54 -8.532 3.132 -9.601 345 2HB SER 54 2HB SER 54 -6.996 2.994 -10.476 346 HG SER 54 HG SER 54 -8.076 0.589 -10.662 347 H VAL 55 H VAL 55 -9.012 2.077 -6.965 348 HA VAL 55 HA VAL 55 -10.320 -0.434 -7.451 349 HB VAL 55 HB VAL 55 -8.342 -0.923 -5.942 350 1HG1 VAL 55 1HG1 VAL 55 -8.586 1.195 -4.600 351 2HG1 VAL 55 2HG1 VAL 55 -10.023 0.472 -3.838 352 3HG1 VAL 55 3HG1 VAL 55 -8.428 -0.290 -3.631 353 1HG2 VAL 55 1HG2 VAL 55 -9.498 -2.616 -4.883 354 2HG2 VAL 55 2HG2 VAL 55 -10.884 -1.573 -4.486 355 3HG2 VAL 55 3HG2 VAL 55 -10.660 -2.163 -6.151 356 H THR 56 H THR 56 -12.285 -0.618 -5.908 357 HA THR 56 HA THR 56 -13.131 1.967 -4.870 358 HB THR 56 HB THR 56 -14.135 0.643 -7.365 359 HG1 THR 56 1HG THR 56 -13.797 2.779 -7.838 360 1HG2 THR 56 1HG2 THR 56 -16.356 1.960 -6.906 361 2HG2 THR 56 2HG2 THR 56 -16.197 0.341 -6.185 362 3HG2 THR 56 3HG2 THR 56 -15.928 1.789 -5.185 363 H ALA 57 H ALA 57 -14.997 1.831 -3.451 364 HA ALA 57 HA ALA 57 -15.168 -0.862 -2.297 365 1HB ALA 57 1HB ALA 57 -15.238 1.940 -1.207 366 2HB ALA 57 2HB ALA 57 -16.138 0.666 -0.348 367 3HB ALA 57 3HB ALA 57 -14.384 0.502 -0.596 368 H ASP 58 H ASP 58 -17.229 -1.752 -1.777 369 HA ASP 58 HA ASP 58 -19.191 -1.206 -3.628 370 1HB ASP 58 1HB ASP 58 -19.810 -2.410 -0.922 371 2HB ASP 58 2HB ASP 58 -20.473 -2.861 -2.500 372 HD2 ASP 58 HD2 ASP 58 -17.094 -4.373 -2.982 373 H ALA 59 H ALA 59 -21.525 -0.494 -3.063 374 HA ALA 59 HA ALA 59 -21.716 2.031 -2.219 375 1HB ALA 59 1HB ALA 59 -23.724 1.358 -3.044 376 2HB ALA 59 2HB ALA 59 -23.547 -0.292 -2.403 377 3HB ALA 59 3HB ALA 59 -24.111 1.020 -1.342 378 H ASN 60 H ASN 60 -21.548 -0.893 -0.157 379 HA ASN 60 HA ASN 60 -22.006 0.689 2.187 380 1HB ASN 60 1HB ASN 60 -22.625 -1.858 1.674 381 2HB ASN 60 2HB ASN 60 -20.984 -2.165 2.259 382 1HD2 ASN 60 1HD2 ASN 60 -23.062 -3.236 3.580 383 2HD2 ASN 60 2HD2 ASN 60 -23.322 -2.469 5.110 384 H GLY 61 H GLY 61 -19.709 1.468 0.573 385 1HA GLY 61 1HA GLY 61 -17.466 1.746 0.619 386 2HA GLY 61 2HA GLY 61 -17.722 1.894 2.346 387 H SER 62 H SER 62 -18.127 -1.019 0.232 388 HA SER 62 HA SER 62 -16.194 -2.326 1.971 389 1HB SER 62 1HB SER 62 -18.647 -3.217 0.512 390 2HB SER 62 2HB SER 62 -17.338 -4.403 0.662 391 HG SER 62 HG SER 62 -18.157 -4.759 2.606 392 H ALA 63 H ALA 63 -14.203 -1.912 0.966 393 HA ALA 63 HA ALA 63 -14.042 -2.484 -1.902 394 1HB ALA 63 1HB ALA 63 -11.606 -1.427 -1.075 395 2HB ALA 63 2HB ALA 63 -12.941 -0.515 -1.825 396 3HB ALA 63 3HB ALA 63 -12.788 -0.577 -0.052 397 H SER 64 H SER 64 -14.268 -4.842 -1.352 398 HA SER 64 HA SER 64 -11.968 -5.920 0.008 399 1HB SER 64 1HB SER 64 -13.256 -8.131 -0.553 400 2HB SER 64 2HB SER 64 -13.907 -7.049 0.691 401 HG SER 64 HG SER 64 -14.775 -7.388 -2.042 402 H THR 65 H THR 65 -10.465 -5.140 -1.744 403 HA THR 65 HA THR 65 -10.628 -6.843 -4.143 404 HB THR 65 HB THR 65 -9.218 -4.158 -3.702 405 HG1 THR 65 1HG THR 65 -11.632 -4.973 -5.159 406 1HG2 THR 65 1HG2 THR 65 -8.374 -5.710 -5.602 407 2HG2 THR 65 2HG2 THR 65 -9.998 -5.543 -6.310 408 3HG2 THR 65 3HG2 THR 65 -8.964 -4.109 -6.107 409 H SER 66 H SER 66 -8.852 -8.039 -4.819 410 HA SER 66 HA SER 66 -6.828 -8.282 -2.736 411 1HB SER 66 1HB SER 66 -6.594 -10.573 -3.299 412 2HB SER 66 2HB SER 66 -8.343 -10.284 -3.324 413 HG SER 66 HG SER 66 -8.365 -10.407 -5.536 414 H LEU 67 H LEU 67 -4.647 -8.015 -3.279 415 HA LEU 67 HA LEU 67 -3.970 -7.891 -6.106 416 1HB LEU 67 1HB LEU 67 -4.423 -5.599 -4.536 417 2HB LEU 67 2HB LEU 67 -2.669 -5.724 -4.754 418 HG LEU 67 HG LEU 67 -3.678 -4.310 -6.457 419 1HD1 LEU 67 1HD1 LEU 67 -2.720 -6.945 -7.606 420 2HD1 LEU 67 2HD1 LEU 67 -2.764 -5.381 -8.456 421 3HD1 LEU 67 3HD1 LEU 67 -1.692 -5.602 -7.052 422 1HD2 LEU 67 1HD2 LEU 67 -5.892 -5.744 -6.333 423 2HD2 LEU 67 2HD2 LEU 67 -5.443 -4.852 -7.807 424 3HD2 LEU 67 3HD2 LEU 67 -5.142 -6.602 -7.700 425 H THR 68 H THR 68 -1.363 -7.324 -6.084 426 HA THR 68 HA THR 68 -0.273 -9.327 -4.226 427 HB THR 68 HB THR 68 -0.221 -9.674 -6.788 428 HG1 THR 68 1HG THR 68 2.086 -9.416 -5.013 429 1HG2 THR 68 1HG2 THR 68 2.218 -7.911 -6.774 430 2HG2 THR 68 2HG2 THR 68 1.158 -8.357 -8.133 431 3HG2 THR 68 3HG2 THR 68 0.646 -7.100 -6.982 432 H VAL 69 H VAL 69 0.979 -8.686 -2.597 433 HA VAL 69 HA VAL 69 1.821 -5.913 -2.573 434 HB VAL 69 HB VAL 69 0.680 -7.017 -0.656 435 1HG1 VAL 69 1HG1 VAL 69 1.651 -8.704 0.628 436 2HG1 VAL 69 2HG1 VAL 69 2.040 -9.206 -1.035 437 3HG1 VAL 69 3HG1 VAL 69 3.277 -8.414 -0.032 438 1HG2 VAL 69 1HG2 VAL 69 3.295 -6.323 0.521 439 2HG2 VAL 69 2HG2 VAL 69 2.676 -5.137 -0.656 440 3HG2 VAL 69 3HG2 VAL 69 1.693 -5.584 0.759 441 H ARG 70 H ARG 70 3.507 -5.762 -4.084 442 HA ARG 70 HA ARG 70 5.629 -7.673 -3.869 443 1HB ARG 70 1HB ARG 70 5.235 -5.231 -5.656 444 2HB ARG 70 2HB ARG 70 6.609 -6.341 -5.796 445 1HG ARG 70 1HG ARG 70 3.965 -7.673 -5.763 446 2HG ARG 70 2HG ARG 70 4.199 -6.590 -7.149 447 1HD ARG 70 1HD ARG 70 6.466 -7.777 -7.479 448 2HD ARG 70 2HD ARG 70 5.887 -8.989 -6.325 449 HE ARG 70 HE ARG 70 3.923 -8.526 -8.388 450 1HH1 ARG 70 1HH1 ARG 70 7.012 -10.112 -7.820 451 2HH1 ARG 70 2HH1 ARG 70 6.774 -11.301 -9.057 452 1HH2 ARG 70 1HH2 ARG 70 3.608 -10.096 -10.020 453 2HH2 ARG 70 2HH2 ARG 70 4.824 -11.291 -10.315 454 H ARG 71 H ARG 71 6.062 -6.923 -1.540 455 HA ARG 71 HA ARG 71 6.737 -4.508 -0.724 456 1HB ARG 71 1HB ARG 71 6.822 -6.635 0.616 457 2HB ARG 71 2HB ARG 71 8.392 -7.011 -0.119 458 1HG ARG 71 1HG ARG 71 9.493 -5.415 1.118 459 2HG ARG 71 2HG ARG 71 8.114 -4.304 1.135 460 1HD ARG 71 1HD ARG 71 8.787 -5.431 3.368 461 2HD ARG 71 2HD ARG 71 7.068 -5.467 2.938 462 HE ARG 71 HE ARG 71 7.979 -7.807 1.853 463 1HH1 ARG 71 1HH1 ARG 71 8.397 -6.388 5.045 464 2HH1 ARG 71 2HH1 ARG 71 8.532 -7.918 5.847 465 1HH2 ARG 71 1HH2 ARG 71 8.158 -9.825 2.910 466 2HH2 ARG 71 2HH2 ARG 71 8.396 -9.884 4.624 467 H SER 72 H SER 72 8.616 -6.599 -2.917 468 HA SER 72 HA SER 72 10.842 -4.762 -2.808 469 1HB SER 72 1HB SER 72 10.434 -7.384 -4.297 470 2HB SER 72 2HB SER 72 11.935 -6.439 -4.336 471 HG SER 72 HG SER 72 11.824 -8.261 -2.747 472 H PHE 73 H PHE 73 11.087 -3.123 -4.289 473 HA PHE 73 HA PHE 73 10.601 -3.321 -6.979 474 1HB PHE 73 1HB PHE 73 8.200 -3.306 -5.557 475 2HB PHE 73 2HB PHE 73 8.418 -1.582 -5.872 476 HD1 PHE 73 1HD PHE 73 8.454 -4.872 -7.630 477 HD2 PHE 73 2HD PHE 73 7.645 -0.714 -7.873 478 HE1 PHE 73 1HE PHE 73 7.516 -5.190 -9.936 479 HE2 PHE 73 2HE PHE 73 6.708 -1.031 -10.180 480 HZ PHE 73 HZ PHE 73 6.654 -3.266 -11.184 481 H GLU 74 H GLU 74 10.137 -0.885 -7.917 482 HA GLU 74 HA GLU 74 12.183 0.651 -6.626 483 1HB GLU 74 1HB GLU 74 12.156 0.355 -9.080 484 2HB GLU 74 2HB GLU 74 10.598 1.198 -9.175 485 1HG GLU 74 1HG GLU 74 11.980 2.988 -9.582 486 2HG GLU 74 2HG GLU 74 11.999 3.068 -7.812 487 HE2 GLU 74 HE2 GLU 74 15.198 1.254 -8.021 488 H GLY 75 H GLY 75 11.660 2.002 -4.962 489 1HA GLY 75 1HA GLY 75 8.949 2.925 -4.618 490 2HA GLY 75 2HA GLY 75 10.324 3.212 -3.570 491 H PHE 76 H PHE 76 8.309 5.171 -4.491 492 HA PHE 76 HA PHE 76 10.152 6.988 -5.872 493 1HB PHE 76 1HB PHE 76 7.827 5.864 -6.900 494 2HB PHE 76 2HB PHE 76 7.175 7.328 -6.154 495 HD1 PHE 76 1HD PHE 76 8.786 5.949 -9.009 496 HD2 PHE 76 2HD PHE 76 8.272 9.555 -6.834 497 HE1 PHE 76 1HE PHE 76 9.477 7.266 -11.031 498 HE2 PHE 76 2HE PHE 76 8.961 10.872 -8.854 499 HZ PHE 76 HZ PHE 76 9.555 9.712 -10.929 500 H LEU 77 H LEU 77 10.526 8.864 -4.779 501 HA LEU 77 HA LEU 77 9.351 9.273 -2.259 502 1HB LEU 77 1HB LEU 77 10.751 11.399 -3.828 503 2HB LEU 77 2HB LEU 77 10.759 11.108 -2.081 504 HG LEU 77 HG LEU 77 12.260 9.657 -4.258 505 1HD1 LEU 77 1HD1 LEU 77 13.970 10.150 -2.159 506 2HD1 LEU 77 2HD1 LEU 77 13.796 11.147 -3.621 507 3HD1 LEU 77 3HD1 LEU 77 12.906 11.576 -2.142 508 1HD2 LEU 77 1HD2 LEU 77 11.146 8.484 -1.870 509 2HD2 LEU 77 2HD2 LEU 77 12.085 7.726 -3.179 510 3HD2 LEU 77 3HD2 LEU 77 12.925 8.469 -1.797 511 H PHE 78 H PHE 78 7.743 10.690 -1.547 512 HA PHE 78 HA PHE 78 5.721 11.244 -3.438 513 1HB PHE 78 1HB PHE 78 4.537 11.911 -1.465 514 2HB PHE 78 2HB PHE 78 5.703 10.742 -0.836 515 HD1 PHE 78 1HD PHE 78 4.996 14.354 -1.218 516 HD2 PHE 78 2HD PHE 78 7.339 11.406 0.739 517 HE1 PHE 78 1HE PHE 78 5.856 16.093 0.375 518 HE2 PHE 78 2HE PHE 78 8.199 13.145 2.331 519 HZ PHE 78 HZ PHE 78 7.446 15.470 2.129 520 H ASP 79 H ASP 79 8.459 13.059 -2.123 521 HA ASP 79 HA ASP 79 7.573 15.608 -2.407 522 1HB ASP 79 1HB ASP 79 9.798 14.822 -1.504 523 2HB ASP 79 2HB ASP 79 10.346 14.580 -3.171 524 HD2 ASP 79 HD2 ASP 79 9.646 18.402 -2.685 525 H GLY 80 H GLY 80 9.228 13.451 -4.832 526 1HA GLY 80 1HA GLY 80 7.778 14.040 -7.045 527 2HA GLY 80 2HA GLY 80 8.927 15.362 -6.969 528 H THR 81 H THR 81 10.976 13.582 -5.555 529 HA THR 81 HA THR 81 12.080 12.467 -7.996 530 HB THR 81 HB THR 81 13.111 12.937 -5.154 531 HG1 THR 81 1HG THR 81 12.840 14.775 -6.625 532 1HG2 THR 81 1HG2 THR 81 15.380 12.525 -6.302 533 2HG2 THR 81 2HG2 THR 81 14.418 11.061 -5.982 534 3HG2 THR 81 3HG2 THR 81 14.472 11.753 -7.622 535 H ARG 82 H ARG 82 13.175 10.288 -7.904 536 HA ARG 82 HA ARG 82 11.375 8.494 -6.480 537 1HB ARG 82 1HB ARG 82 11.833 6.845 -8.277 538 2HB ARG 82 2HB ARG 82 11.184 8.345 -8.958 539 1HG ARG 82 1HG ARG 82 13.418 9.064 -9.618 540 2HG ARG 82 2HG ARG 82 14.161 7.684 -8.790 541 1HD ARG 82 1HD ARG 82 12.856 6.167 -10.346 542 2HD ARG 82 2HD ARG 82 12.329 7.602 -11.234 543 HE ARG 82 HE ARG 82 15.212 7.544 -10.924 544 1HH1 ARG 82 1HH1 ARG 82 12.573 6.164 -12.800 545 2HH1 ARG 82 2HH1 ARG 82 13.561 5.829 -14.182 546 1HH2 ARG 82 1HH2 ARG 82 16.514 7.102 -12.747 547 2HH2 ARG 82 2HH2 ARG 82 15.818 6.364 -14.151 548 H TRP 83 H TRP 83 12.309 6.614 -5.433 549 HA TRP 83 HA TRP 83 15.188 6.915 -4.961 550 1HB TRP 83 1HB TRP 83 13.990 7.159 -2.954 551 2HB TRP 83 2HB TRP 83 12.946 5.779 -3.301 552 HD1 TRP 83 HD TRP 83 13.777 3.455 -2.355 553 HE1 TRP 83 1HE TRP 83 15.888 2.516 -1.082 554 HE3 TRP 83 3HE TRP 83 16.618 7.638 -2.900 555 HZ2 TRP 83 2HZ TRP 83 18.451 3.604 -0.459 556 HZ3 TRP 83 3HZ TRP 83 18.914 7.616 -1.928 557 HH2 TRP 83 HH TRP 83 19.839 5.689 -0.743 558 H GLY 84 H GLY 84 13.177 4.027 -4.327 559 1HA GLY 84 1HA GLY 84 13.186 2.432 -6.376 560 2HA GLY 84 2HA GLY 84 14.920 2.500 -6.135 561 H THR 85 H THR 85 15.642 2.142 -3.709 562 HA THR 85 HA THR 85 15.753 0.792 -1.945 563 HB THR 85 HB THR 85 12.747 0.926 -2.393 564 HG1 THR 85 1HG THR 85 14.479 1.565 -0.129 565 1HG2 THR 85 1HG2 THR 85 12.538 -0.136 -0.105 566 2HG2 THR 85 2HG2 THR 85 13.087 -1.287 -1.346 567 3HG2 THR 85 3HG2 THR 85 14.257 -0.588 -0.197 568 H VAL 86 H VAL 86 13.320 -0.702 -4.192 569 HA VAL 86 HA VAL 86 13.539 -2.569 -5.412 570 HB VAL 86 HB VAL 86 16.086 -3.308 -3.995 571 1HG1 VAL 86 1HG1 VAL 86 16.612 -4.230 -6.284 572 2HG1 VAL 86 2HG1 VAL 86 15.243 -5.009 -5.450 573 3HG1 VAL 86 3HG1 VAL 86 14.941 -3.834 -6.753 574 1HG2 VAL 86 1HG2 VAL 86 15.625 -0.915 -5.582 575 2HG2 VAL 86 2HG2 VAL 86 17.070 -1.421 -4.675 576 3HG2 VAL 86 3HG2 VAL 86 16.829 -1.981 -6.347 577 H ASP 87 H ASP 87 14.595 -2.798 -1.960 578 HA ASP 87 HA ASP 87 12.597 -4.899 -1.697 579 1HB ASP 87 1HB ASP 87 15.130 -5.572 -1.598 580 2HB ASP 87 2HB ASP 87 15.114 -4.807 -0.003 581 HD2 ASP 87 HD2 ASP 87 12.883 -8.088 -0.386 582 H CYS 88 H CYS 88 10.983 -3.840 -0.509 583 HA CYS 88 HA CYS 88 11.789 -1.865 1.444 584 1HB CYS 88 1HB CYS 88 9.999 -1.281 -0.051 585 2HB CYS 88 2HB CYS 88 9.073 -2.709 0.418 586 H THR 89 H THR 89 12.688 -4.471 2.069 587 HA THR 89 HA THR 89 10.739 -5.635 3.884 588 HB THR 89 HB THR 89 13.590 -6.404 3.067 589 HG1 THR 89 1HG THR 89 12.421 -7.652 1.571 590 1HG2 THR 89 1HG2 THR 89 13.406 -8.287 4.386 591 2HG2 THR 89 2HG2 THR 89 12.221 -7.328 5.307 592 3HG2 THR 89 3HG2 THR 89 11.667 -8.454 4.045 593 H THR 90 H THR 90 13.248 -3.256 3.934 594 HA THR 90 HA THR 90 13.789 -3.670 6.762 595 HB THR 90 HB THR 90 14.871 -1.935 4.511 596 HG1 THR 90 1HG THR 90 15.929 -3.921 4.794 597 1HG2 THR 90 1HG2 THR 90 14.949 -1.396 7.458 598 2HG2 THR 90 2HG2 THR 90 16.529 -1.403 6.640 599 3HG2 THR 90 3HG2 THR 90 15.251 -0.287 6.100 600 H ALA 91 H ALA 91 12.371 -1.112 4.621 601 HA ALA 91 HA ALA 91 11.368 0.225 6.992 602 1HB ALA 91 1HB ALA 91 11.942 0.884 4.177 603 2HB ALA 91 2HB ALA 91 10.412 1.575 4.770 604 3HB ALA 91 3HB ALA 91 11.937 1.931 5.617 605 H ALA 92 H ALA 92 9.300 0.053 7.745 606 HA ALA 92 HA ALA 92 7.643 -1.976 6.771 607 1HB ALA 92 1HB ALA 92 6.815 -1.616 8.826 608 2HB ALA 92 2HB ALA 92 7.760 -0.114 8.961 609 3HB ALA 92 3HB ALA 92 6.123 -0.075 8.266 610 H CYS 93 H CYS 93 6.535 -2.008 4.886 611 HA CYS 93 HA CYS 93 5.913 0.518 3.631 612 1HB CYS 93 1HB CYS 93 5.014 -1.964 2.341 613 2HB CYS 93 2HB CYS 93 5.891 -0.582 1.675 614 H GLN 94 H GLN 94 3.882 1.444 3.729 615 HA GLN 94 HA GLN 94 1.854 -0.117 5.082 616 1HB GLN 94 1HB GLN 94 2.135 2.850 4.497 617 2HB GLN 94 2HB GLN 94 0.683 2.151 5.236 618 1HG GLN 94 1HG GLN 94 1.767 1.681 7.227 619 2HG GLN 94 2HG GLN 94 3.345 1.465 6.459 620 1HE2 GLN 94 1HE2 GLN 94 3.030 2.911 8.772 621 2HE2 GLN 94 2HE2 GLN 94 3.330 4.592 8.490 622 H VAL 95 H VAL 95 0.483 -1.261 3.787 623 HA VAL 95 HA VAL 95 0.042 -0.327 1.078 624 HB VAL 95 HB VAL 95 -0.907 -2.824 2.492 625 1HG1 VAL 95 1HG1 VAL 95 -1.665 -1.713 0.018 626 2HG1 VAL 95 2HG1 VAL 95 -0.549 -3.046 -0.372 627 3HG1 VAL 95 3HG1 VAL 95 -1.996 -3.357 0.617 628 1HG2 VAL 95 1HG2 VAL 95 1.321 -2.903 0.511 629 2HG2 VAL 95 2HG2 VAL 95 1.690 -2.269 2.132 630 3HG2 VAL 95 3HG2 VAL 95 1.027 -3.909 1.948 631 H GLY 96 H GLY 96 -1.665 0.921 0.524 632 1HA GLY 96 1HA GLY 96 -4.245 0.521 1.714 633 2HA GLY 96 2HA GLY 96 -3.473 1.997 2.261 634 H LEU 97 H LEU 97 -5.812 2.270 0.850 635 HA LEU 97 HA LEU 97 -4.940 2.949 -1.866 636 1HB LEU 97 1HB LEU 97 -7.442 3.066 -2.261 637 2HB LEU 97 2HB LEU 97 -6.703 1.468 -2.062 638 HG LEU 97 HG LEU 97 -7.472 1.593 0.370 639 1HD1 LEU 97 1HD1 LEU 97 -8.448 4.166 -0.606 640 2HD1 LEU 97 2HD1 LEU 97 -9.724 3.188 0.156 641 3HD1 LEU 97 3HD1 LEU 97 -8.238 3.571 1.058 642 1HD2 LEU 97 1HD2 LEU 97 -8.727 0.694 -1.956 643 2HD2 LEU 97 2HD2 LEU 97 -9.097 0.224 -0.280 644 3HD2 LEU 97 3HD2 LEU 97 -10.000 1.548 -1.051 645 H SER 98 H SER 98 -4.684 5.058 -2.395 646 HA SER 98 HA SER 98 -5.582 6.966 -0.406 647 1HB SER 98 1HB SER 98 -4.009 8.530 -1.524 648 2HB SER 98 2HB SER 98 -3.199 7.053 -0.971 649 HG SER 98 HG SER 98 -3.218 8.102 -3.442 650 H ASP 99 H ASP 99 -6.300 9.193 -1.386 651 HA ASP 99 HA ASP 99 -8.439 8.608 -3.146 652 1HB ASP 99 1HB ASP 99 -7.685 11.446 -2.610 653 2HB ASP 99 2HB ASP 99 -9.271 10.666 -2.491 654 HD2 ASP 99 HD2 ASP 99 -8.941 10.780 0.899 655 H ALA 100 H ALA 100 -8.809 10.005 -5.184 656 HA ALA 100 HA ALA 100 -6.328 10.128 -6.677 657 1HB ALA 100 1HB ALA 100 -9.266 10.010 -7.275 658 2HB ALA 100 2HB ALA 100 -8.191 10.740 -8.492 659 3HB ALA 100 3HB ALA 100 -7.923 9.063 -7.961 660 H ALA 101 H ALA 101 -7.425 12.113 -4.462 661 HA ALA 101 HA ALA 101 -7.481 14.538 -6.080 662 1HB ALA 101 1HB ALA 101 -8.123 15.602 -3.933 663 2HB ALA 101 2HB ALA 101 -9.199 14.246 -4.349 664 3HB ALA 101 3HB ALA 101 -7.936 14.034 -3.112 665 H GLY 102 H GLY 102 -5.815 13.334 -3.074 666 1HA GLY 102 1HA GLY 102 -3.240 13.514 -3.717 667 2HA GLY 102 2HA GLY 102 -3.640 15.210 -3.543 668 H ASN 103 H ASN 103 -4.739 12.241 -1.752 669 HA ASN 103 HA ASN 103 -3.505 13.379 0.611 670 1HB ASN 103 1HB ASN 103 -6.331 12.218 0.570 671 2HB ASN 103 2HB ASN 103 -5.523 12.958 1.959 672 1HD2 ASN 103 1HD2 ASN 103 -7.290 13.417 -0.952 673 2HD2 ASN 103 2HD2 ASN 103 -7.450 15.141 -0.906 674 H GLY 104 H GLY 104 -2.962 11.698 2.222 675 1HA GLY 104 1HA GLY 104 -3.159 8.948 1.143 676 2HA GLY 104 2HA GLY 104 -1.764 9.577 1.998 677 HA PRO 105 HA PRO 105 -5.344 8.524 4.964 678 1HB PRO 105 1HB PRO 105 -6.557 6.154 4.355 679 2HB PRO 105 2HB PRO 105 -7.254 7.724 3.958 680 1HG PRO 105 1HG PRO 105 -5.883 5.765 2.230 681 2HG PRO 105 2HG PRO 105 -6.992 7.101 1.753 682 1HD PRO 105 1HD PRO 105 -4.140 6.982 1.516 683 2HD PRO 105 2HD PRO 105 -5.170 8.379 1.181 684 H GLU 106 H GLU 106 -5.844 6.055 6.154 685 HA GLU 106 HA GLU 106 -3.193 5.605 7.103 686 1HB GLU 106 1HB GLU 106 -5.373 5.689 8.481 687 2HB GLU 106 2HB GLU 106 -5.672 4.040 7.902 688 1HG GLU 106 1HG GLU 106 -4.258 3.219 9.449 689 2HG GLU 106 2HG GLU 106 -2.939 4.226 8.833 690 HE2 GLU 106 HE2 GLU 106 -5.156 5.789 11.774 691 H GLY 107 H GLY 107 -1.936 3.711 6.871 692 1HA GLY 107 1HA GLY 107 -2.944 1.812 4.840 693 2HA GLY 107 2HA GLY 107 -1.271 2.307 5.008 694 H VAL 108 H VAL 108 -1.850 -0.405 5.027 695 HA VAL 108 HA VAL 108 -1.799 -1.133 7.866 696 HB VAL 108 HB VAL 108 -3.478 -2.070 6.124 697 1HG1 VAL 108 1HG1 VAL 108 -1.771 -2.611 4.412 698 2HG1 VAL 108 2HG1 VAL 108 -1.076 -3.822 5.514 699 3HG1 VAL 108 3HG1 VAL 108 -2.730 -4.031 4.895 700 1HG2 VAL 108 1HG2 VAL 108 -3.404 -2.933 8.352 701 2HG2 VAL 108 2HG2 VAL 108 -3.380 -4.328 7.249 702 3HG2 VAL 108 3HG2 VAL 108 -1.877 -3.792 8.037 703 H ALA 109 H ALA 109 0.127 -1.631 8.772 704 HA ALA 109 HA ALA 109 2.497 -1.524 7.309 705 1HB ALA 109 1HB ALA 109 1.652 -2.316 10.079 706 2HB ALA 109 2HB ALA 109 3.295 -2.747 9.542 707 3HB ALA 109 3HB ALA 109 2.780 -1.045 9.550 708 H ILE 110 H ILE 110 2.537 -2.921 5.524 709 HA ILE 110 HA ILE 110 1.907 -5.701 5.917 710 HB ILE 110 HB ILE 110 1.869 -3.921 3.788 711 1HG1 ILE 110 1HG1 ILE 110 1.420 -6.263 2.567 712 2HG1 ILE 110 2HG1 ILE 110 1.292 -6.802 4.249 713 1HG2 ILE 110 1HG2 ILE 110 4.098 -5.935 3.423 714 2HG2 ILE 110 2HG2 ILE 110 3.284 -5.096 2.081 715 3HG2 ILE 110 3HG2 ILE 110 4.189 -4.162 3.296 716 1HD1 ILE 110 1HD1 ILE 110 -0.622 -5.570 4.627 717 2HD1 ILE 110 2HD1 ILE 110 -0.113 -4.252 3.544 718 3HD1 ILE 110 3HD1 ILE 110 -0.792 -5.751 2.864 719 H SER 111 H SER 111 3.338 -7.415 6.090 720 HA SER 111 HA SER 111 5.776 -7.775 5.390 721 1HB SER 111 1HB SER 111 7.178 -6.916 7.446 722 2HB SER 111 2HB SER 111 6.834 -5.818 6.100 723 HG SER 111 HG SER 111 5.861 -4.545 7.506 724 H PHE 112 H PHE 112 5.070 -7.260 8.915 725 HA PHE 112 HA PHE 112 4.296 -10.017 9.210 726 1HB PHE 112 1HB PHE 112 6.784 -10.097 9.257 727 2HB PHE 112 2HB PHE 112 6.835 -8.751 10.400 728 HD1 PHE 112 1HD PHE 112 6.765 -9.157 12.711 729 HD2 PHE 112 2HD PHE 112 5.755 -12.279 10.019 730 HE1 PHE 112 1HE PHE 112 6.748 -10.793 14.615 731 HE2 PHE 112 2HE PHE 112 5.738 -13.916 11.924 732 HZ PHE 112 HZ PHE 112 6.234 -13.152 14.199 733 H ASN 113 H ASN 113 2.643 -10.033 10.654 734 HA ASN 113 HA ASN 113 2.007 -7.720 12.073 735 1HB ASN 113 1HB ASN 113 0.206 -9.092 13.059 736 2HB ASN 113 2HB ASN 113 0.337 -9.447 11.331 737 1HD2 ASN 113 1HD2 ASN 113 -0.950 -11.233 12.754 738 2HD2 ASN 113 2HD2 ASN 113 -0.028 -12.668 13.049 739 6H NCZ 130 6H NCZ 130 0.455 14.225 -0.097 740 6H1 NCZ 130 6H1 NCZ 130 -0.884 11.639 -0.046 741 5H1 NCZ 130 5H1 NCZ 130 -0.978 12.973 2.234 742 4H1 NCZ 130 4H1 NCZ 130 1.607 12.788 3.169 743 5H NCZ 130 5H NCZ 130 3.620 12.666 0.148 744 3H1 NCZ 130 3H1 NCZ 130 2.689 11.182 1.688 745 2H1 NCZ 130 2H1 NCZ 130 1.946 11.754 -0.661 746 2H NCZ 130 2H NCZ 130 0.103 8.892 -3.702 747 8H NCZ 130 8H NCZ 130 -0.987 5.880 -3.466 748 7H NCZ 130 7H NCZ 130 -1.729 4.728 -1.410 749 3H NCZ 130 3H NCZ 130 -0.839 5.274 3.175 750 1H17 NCZ 130 1H17 NCZ 130 1.532 8.586 5.062 751 2H17 NCZ 130 2H17 NCZ 130 2.145 8.787 3.406 752 3H17 NCZ 130 3H17 NCZ 130 0.499 9.321 3.814 753 1H18 NCZ 130 1H18 NCZ 130 -1.793 3.668 0.078 754 2H18 NCZ 130 2H18 NCZ 130 -1.647 3.526 1.845 755 3H18 NCZ 130 3H18 NCZ 130 -2.928 4.538 1.135 756 1H NCZ 130 1H NCZ 130 1.354 8.406 1.338 Start of MODEL 20 1 H ALA 1 H ALA 1 -14.171 -9.290 13.188 2 HA ALA 1 HA ALA 1 -13.408 -7.094 12.760 3 1HB ALA 1 1HB ALA 1 -11.428 -9.241 13.399 4 2HB ALA 1 2HB ALA 1 -10.780 -7.621 13.047 5 3HB ALA 1 3HB ALA 1 -11.952 -7.842 14.368 6 H ALA 2 H ALA 2 -12.484 -5.585 11.336 7 HA ALA 2 HA ALA 2 -10.719 -6.070 9.321 8 1HB ALA 2 1HB ALA 2 -12.036 -7.615 8.165 9 2HB ALA 2 2HB ALA 2 -13.556 -6.789 8.587 10 3HB ALA 2 3HB ALA 2 -12.471 -6.087 7.363 11 HA PRO 3 HA PRO 3 -12.141 -1.843 10.018 12 1HB PRO 3 1HB PRO 3 -9.739 -0.800 10.799 13 2HB PRO 3 2HB PRO 3 -10.947 -1.389 11.938 14 1HG PRO 3 1HG PRO 3 -8.433 -2.638 11.025 15 2HG PRO 3 2HG PRO 3 -9.393 -2.997 12.505 16 1HD PRO 3 1HD PRO 3 -9.216 -4.518 10.085 17 2HD PRO 3 2HD PRO 3 -10.296 -4.830 11.451 18 H THR 4 H THR 4 -12.566 -0.732 8.232 19 HA THR 4 HA THR 4 -12.273 -0.044 6.121 20 HB THR 4 HB THR 4 -10.641 1.673 6.027 21 HG1 THR 4 1HG THR 4 -8.528 1.215 6.758 22 1HG2 THR 4 1HG2 THR 4 -10.286 2.568 8.270 23 2HG2 THR 4 2HG2 THR 4 -11.899 1.816 8.259 24 3HG2 THR 4 3HG2 THR 4 -10.525 0.961 9.001 25 H ALA 5 H ALA 5 -9.414 0.140 4.926 26 HA ALA 5 HA ALA 5 -9.594 -2.458 3.680 27 1HB ALA 5 1HB ALA 5 -9.206 -0.852 2.069 28 2HB ALA 5 2HB ALA 5 -8.238 0.167 3.162 29 3HB ALA 5 3HB ALA 5 -7.523 -1.298 2.444 30 H THR 6 H THR 6 -8.403 -4.209 4.251 31 HA THR 6 HA THR 6 -5.809 -3.780 5.498 32 HB THR 6 HB THR 6 -6.660 -5.599 7.244 33 HG1 THR 6 1HG THR 6 -9.042 -4.123 6.366 34 1HG2 THR 6 1HG2 THR 6 -7.658 -3.783 8.705 35 2HG2 THR 6 2HG2 THR 6 -6.086 -3.323 8.008 36 3HG2 THR 6 3HG2 THR 6 -7.591 -2.681 7.310 37 H VAL 7 H VAL 7 -4.344 -5.474 5.206 38 HA VAL 7 HA VAL 7 -5.132 -7.248 3.053 39 HB VAL 7 HB VAL 7 -2.596 -6.244 4.253 40 1HG1 VAL 7 1HG1 VAL 7 -2.985 -9.010 3.376 41 2HG1 VAL 7 2HG1 VAL 7 -1.715 -8.168 2.457 42 3HG1 VAL 7 3HG1 VAL 7 -1.616 -8.261 4.232 43 1HG2 VAL 7 1HG2 VAL 7 -3.305 -5.044 2.358 44 2HG2 VAL 7 2HG2 VAL 7 -2.051 -6.146 1.741 45 3HG2 VAL 7 3HG2 VAL 7 -3.772 -6.523 1.480 46 H THR 8 H THR 8 -5.854 -9.277 3.409 47 HA THR 8 HA THR 8 -6.141 -10.357 5.944 48 HB THR 8 HB THR 8 -6.316 -11.290 3.085 49 HG1 THR 8 1HG THR 8 -8.475 -11.573 3.914 50 1HG2 THR 8 1HG2 THR 8 -5.236 -13.215 4.431 51 2HG2 THR 8 2HG2 THR 8 -6.693 -13.182 5.456 52 3HG2 THR 8 3HG2 THR 8 -6.830 -13.572 3.725 53 HA PRO 9 HA PRO 9 -2.304 -12.940 5.386 54 1HB PRO 9 1HB PRO 9 -0.970 -13.061 3.006 55 2HB PRO 9 2HB PRO 9 -2.216 -14.217 3.473 56 1HG PRO 9 1HG PRO 9 -2.344 -11.948 1.592 57 2HG PRO 9 2HG PRO 9 -3.430 -13.380 1.700 58 1HD PRO 9 1HD PRO 9 -3.936 -10.695 2.556 59 2HD PRO 9 2HD PRO 9 -4.973 -12.104 2.828 60 H SER 10 H SER 10 -2.270 -10.547 6.432 61 HA SER 10 HA SER 10 0.001 -9.176 5.328 62 1HB SER 10 1HB SER 10 -0.510 -7.436 6.954 63 2HB SER 10 2HB SER 10 -2.006 -7.923 6.136 64 HG SER 10 HG SER 10 -2.340 -9.379 8.051 65 H SER 11 H SER 11 0.174 -11.935 6.618 66 HA SER 11 HA SER 11 1.931 -11.201 8.825 67 1HB SER 11 1HB SER 11 -0.184 -13.038 8.734 68 2HB SER 11 2HB SER 11 1.268 -14.052 8.652 69 HG SER 11 HG SER 11 2.021 -13.061 10.599 70 H GLY 12 H GLY 12 4.114 -11.642 8.605 71 1HA GLY 12 1HA GLY 12 6.002 -12.061 7.401 72 2HA GLY 12 2HA GLY 12 5.419 -13.708 7.553 73 H LEU 13 H LEU 13 4.278 -10.862 5.592 74 HA LEU 13 HA LEU 13 3.503 -12.348 3.409 75 1HB LEU 13 1HB LEU 13 4.525 -9.514 3.499 76 2HB LEU 13 2HB LEU 13 3.574 -10.232 2.188 77 HG LEU 13 HG LEU 13 1.902 -10.682 4.247 78 1HD1 LEU 13 1HD1 LEU 13 3.830 -8.732 5.251 79 2HD1 LEU 13 2HD1 LEU 13 2.151 -8.147 5.319 80 3HD1 LEU 13 3HD1 LEU 13 2.594 -9.677 6.112 81 1HD2 LEU 13 1HD2 LEU 13 2.102 -8.065 2.733 82 2HD2 LEU 13 2HD2 LEU 13 1.360 -9.566 2.131 83 3HD2 LEU 13 3HD2 LEU 13 0.651 -8.719 3.527 84 H SER 14 H SER 14 4.710 -11.574 1.098 85 HA SER 14 HA SER 14 7.524 -12.144 1.428 86 1HB SER 14 1HB SER 14 6.069 -14.284 1.023 87 2HB SER 14 2HB SER 14 5.958 -13.699 -0.647 88 HG SER 14 HG SER 14 8.325 -14.413 0.854 89 H ASP 15 H ASP 15 8.801 -11.537 -0.504 90 HA ASP 15 HA ASP 15 8.038 -9.185 -1.599 91 1HB ASP 15 1HB ASP 15 10.310 -9.709 -1.798 92 2HB ASP 15 2HB ASP 15 9.994 -11.340 -2.405 93 HD2 ASP 15 HD2 ASP 15 9.451 -8.566 -5.185 94 H GLY 16 H GLY 16 5.819 -9.358 -2.409 95 1HA GLY 16 1HA GLY 16 4.662 -9.317 -4.458 96 2HA GLY 16 2HA GLY 16 5.651 -10.634 -5.054 97 H THR 17 H THR 17 3.866 -10.244 -1.916 98 HA THR 17 HA THR 17 2.683 -12.873 -2.368 99 HB THR 17 HB THR 17 3.236 -11.046 -0.018 100 HG1 THR 17 1HG THR 17 3.316 -13.929 -0.562 101 1HG2 THR 17 1HG2 THR 17 1.235 -11.616 0.962 102 2HG2 THR 17 2HG2 THR 17 0.857 -12.791 -0.322 103 3HG2 THR 17 3HG2 THR 17 1.900 -13.266 1.038 104 H VAL 18 H VAL 18 0.644 -13.213 -3.001 105 HA VAL 18 HA VAL 18 -0.955 -10.944 -3.654 106 HB VAL 18 HB VAL 18 -2.002 -13.739 -3.637 107 1HG1 VAL 18 1HG1 VAL 18 -3.391 -11.904 -4.486 108 2HG1 VAL 18 2HG1 VAL 18 -2.121 -11.473 -5.657 109 3HG1 VAL 18 3HG1 VAL 18 -2.961 -13.037 -5.788 110 1HG2 VAL 18 1HG2 VAL 18 0.390 -12.791 -5.173 111 2HG2 VAL 18 2HG2 VAL 18 0.035 -14.392 -4.480 112 3HG2 VAL 18 3HG2 VAL 18 -0.772 -13.872 -5.978 113 H VAL 19 H VAL 19 -2.042 -9.791 -2.148 114 HA VAL 19 HA VAL 19 -3.274 -11.330 0.034 115 HB VAL 19 HB VAL 19 -2.953 -9.375 1.449 116 1HG1 VAL 19 1HG1 VAL 19 -0.180 -9.514 0.776 117 2HG1 VAL 19 2HG1 VAL 19 -1.053 -10.360 2.076 118 3HG1 VAL 19 3HG1 VAL 19 -0.903 -11.111 0.469 119 1HG2 VAL 19 1HG2 VAL 19 -2.981 -7.530 -0.025 120 2HG2 VAL 19 2HG2 VAL 19 -1.318 -7.589 0.609 121 3HG2 VAL 19 3HG2 VAL 19 -1.670 -8.199 -1.026 122 H LYS 20 H LYS 20 -5.280 -10.244 0.929 123 HA LYS 20 HA LYS 20 -6.702 -8.927 -1.280 124 1HB LYS 20 1HB LYS 20 -7.369 -11.293 -0.620 125 2HB LYS 20 2HB LYS 20 -7.988 -10.594 0.886 126 1HG LYS 20 1HG LYS 20 -9.145 -8.894 -0.844 127 2HG LYS 20 2HG LYS 20 -8.981 -10.278 -1.937 128 1HD LYS 20 1HD LYS 20 -9.943 -11.349 0.494 129 2HD LYS 20 2HD LYS 20 -10.864 -9.852 0.260 130 1HE LYS 20 1HE LYS 20 -11.551 -10.585 -1.972 131 2HE LYS 20 2HE LYS 20 -10.524 -12.022 -1.864 132 1HZ LYS 20 1HZ LYS 20 -12.090 -12.089 0.351 133 2HZ LYS 20 2HZ LYS 20 -13.110 -11.590 -0.824 134 3HZ LYS 20 3HZ LYS 20 -12.288 -12.991 -0.995 135 H VAL 21 H VAL 21 -7.023 -6.804 -0.922 136 HA VAL 21 HA VAL 21 -6.936 -5.856 1.822 137 HB VAL 21 HB VAL 21 -7.194 -4.239 -0.710 138 1HG1 VAL 21 1HG1 VAL 21 -6.235 -3.658 2.102 139 2HG1 VAL 21 2HG1 VAL 21 -5.892 -2.585 0.726 140 3HG1 VAL 21 3HG1 VAL 21 -7.575 -2.899 1.211 141 1HG2 VAL 21 1HG2 VAL 21 -4.492 -4.246 0.153 142 2HG2 VAL 21 2HG2 VAL 21 -5.007 -5.947 0.052 143 3HG2 VAL 21 3HG2 VAL 21 -5.164 -4.885 -1.367 144 H ALA 22 H ALA 22 -8.899 -6.462 2.761 145 HA ALA 22 HA ALA 22 -11.340 -5.845 1.326 146 1HB ALA 22 1HB ALA 22 -10.574 -7.849 3.066 147 2HB ALA 22 2HB ALA 22 -11.507 -6.766 4.127 148 3HB ALA 22 3HB ALA 22 -12.256 -7.434 2.655 149 H GLY 23 H GLY 23 -12.346 -3.909 1.490 150 1HA GLY 23 1HA GLY 23 -11.555 -2.149 3.718 151 2HA GLY 23 2HA GLY 23 -12.194 -1.645 2.166 152 H ALA 24 H ALA 24 -12.982 -1.886 5.370 153 HA ALA 24 HA ALA 24 -15.821 -2.336 4.749 154 1HB ALA 24 1HB ALA 24 -15.824 -3.899 6.360 155 2HB ALA 24 2HB ALA 24 -14.089 -3.626 6.642 156 3HB ALA 24 3HB ALA 24 -15.296 -2.675 7.539 157 H GLY 25 H GLY 25 -16.570 -0.260 4.447 158 1HA GLY 25 1HA GLY 25 -17.489 1.646 5.370 159 2HA GLY 25 2HA GLY 25 -16.442 1.500 6.769 160 H LEU 26 H LEU 26 -15.076 1.125 3.517 161 HA LEU 26 HA LEU 26 -13.512 3.527 3.982 162 1HB LEU 26 1HB LEU 26 -12.913 1.027 3.051 163 2HB LEU 26 2HB LEU 26 -13.000 1.974 1.556 164 HG LEU 26 HG LEU 26 -11.388 2.993 3.872 165 1HD1 LEU 26 1HD1 LEU 26 -10.727 0.637 3.638 166 2HD1 LEU 26 2HD1 LEU 26 -10.395 0.907 1.909 167 3HD1 LEU 26 3HD1 LEU 26 -9.429 1.751 3.144 168 1HD2 LEU 26 1HD2 LEU 26 -11.633 4.506 2.045 169 2HD2 LEU 26 2HD2 LEU 26 -9.975 3.858 1.988 170 3HD2 LEU 26 3HD2 LEU 26 -11.210 3.245 0.861 171 H GLN 27 H GLN 27 -13.112 3.681 0.936 172 HA GLN 27 HA GLN 27 -14.633 5.825 0.442 173 1HB GLN 27 1HB GLN 27 -13.467 3.716 -1.377 174 2HB GLN 27 2HB GLN 27 -14.378 5.073 -2.066 175 1HG GLN 27 1HG GLN 27 -11.807 5.114 -0.459 176 2HG GLN 27 2HG GLN 27 -12.102 5.792 -2.066 177 1HE2 GLN 27 1HE2 GLN 27 -12.388 6.184 1.359 178 2HE2 GLN 27 2HE2 GLN 27 -12.913 7.833 1.393 179 H ALA 28 H ALA 28 -16.808 5.719 1.129 180 HA ALA 28 HA ALA 28 -18.525 3.600 0.521 181 1HB ALA 28 1HB ALA 28 -20.024 4.830 1.722 182 2HB ALA 28 2HB ALA 28 -18.591 5.807 2.125 183 3HB ALA 28 3HB ALA 28 -19.682 6.323 0.815 184 H GLY 29 H GLY 29 -18.167 3.069 -1.721 185 1HA GLY 29 1HA GLY 29 -18.987 3.062 -3.837 186 2HA GLY 29 2HA GLY 29 -19.922 4.503 -3.487 187 H THR 30 H THR 30 -16.706 5.006 -2.469 188 HA THR 30 HA THR 30 -16.212 6.644 -4.833 189 HB THR 30 HB THR 30 -14.201 6.899 -2.781 190 HG1 THR 30 1HG THR 30 -15.575 6.983 -0.951 191 1HG2 THR 30 1HG2 THR 30 -14.784 9.122 -2.939 192 2HG2 THR 30 2HG2 THR 30 -15.817 8.600 -4.292 193 3HG2 THR 30 3HG2 THR 30 -16.506 8.769 -2.660 194 H ALA 31 H ALA 31 -13.562 6.814 -5.105 195 HA ALA 31 HA ALA 31 -12.529 4.096 -5.262 196 1HB ALA 31 1HB ALA 31 -12.159 5.731 -7.717 197 2HB ALA 31 2HB ALA 31 -12.457 3.985 -7.538 198 3HB ALA 31 3HB ALA 31 -13.812 5.135 -7.434 199 H TYR 32 H TYR 32 -10.486 4.100 -4.472 200 HA TYR 32 HA TYR 32 -9.026 6.652 -4.618 201 1HB TYR 32 1HB TYR 32 -9.473 4.466 -2.559 202 2HB TYR 32 2HB TYR 32 -7.897 5.261 -2.547 203 HD1 TYR 32 1HD TYR 32 -10.536 7.424 -3.643 204 HD2 TYR 32 2HD TYR 32 -8.646 5.836 -0.149 205 HE1 TYR 32 1HE TYR 32 -11.514 9.311 -2.247 206 HE2 TYR 32 2HE TYR 32 -9.630 7.729 1.236 207 HH TYR 32 HH TYR 32 -11.365 10.372 -0.301 208 H ASP 33 H ASP 33 -6.509 6.006 -4.032 209 HA ASP 33 HA ASP 33 -5.851 4.207 -6.199 210 1HB ASP 33 1HB ASP 33 -4.890 6.565 -5.980 211 2HB ASP 33 2HB ASP 33 -3.988 5.990 -4.570 212 HD2 ASP 33 HD2 ASP 33 -2.146 5.713 -7.816 213 H VAL 34 H VAL 34 -5.431 2.082 -5.578 214 HA VAL 34 HA VAL 34 -4.688 1.550 -2.835 215 HB VAL 34 HB VAL 34 -6.236 0.285 -4.731 216 1HG1 VAL 34 1HG1 VAL 34 -3.973 -0.496 -5.710 217 2HG1 VAL 34 2HG1 VAL 34 -3.889 -1.560 -4.286 218 3HG1 VAL 34 3HG1 VAL 34 -5.238 -1.716 -5.435 219 1HG2 VAL 34 1HG2 VAL 34 -6.730 -0.056 -2.477 220 2HG2 VAL 34 2HG2 VAL 34 -6.140 -1.653 -2.999 221 3HG2 VAL 34 3HG2 VAL 34 -5.071 -0.562 -2.083 222 H GLY 35 H GLY 35 -2.712 0.675 -2.143 223 1HA GLY 35 1HA GLY 35 -0.697 -0.414 -3.598 224 2HA GLY 35 2HA GLY 35 -0.458 1.307 -3.823 225 H GLN 36 H GLN 36 1.350 -0.496 -2.417 226 HA GLN 36 HA GLN 36 0.911 0.160 0.359 227 1HB GLN 36 1HB GLN 36 2.801 -1.335 0.799 228 2HB GLN 36 2HB GLN 36 1.620 -2.139 -0.251 229 1HG GLN 36 1HG GLN 36 3.385 -0.790 -1.999 230 2HG GLN 36 2HG GLN 36 4.428 -1.491 -0.755 231 1HE2 GLN 36 1HE2 GLN 36 4.488 -2.280 -3.403 232 2HE2 GLN 36 2HE2 GLN 36 3.923 -3.910 -3.558 233 H CYS 37 H CYS 37 1.414 2.300 0.771 234 HA CYS 37 HA CYS 37 3.928 3.277 -0.354 235 1HB CYS 37 1HB CYS 37 1.600 4.442 -0.636 236 2HB CYS 37 2HB CYS 37 1.929 5.055 0.988 237 H ALA 38 H ALA 38 5.389 4.465 1.133 238 HA ALA 38 HA ALA 38 4.987 4.758 3.838 239 1HB ALA 38 1HB ALA 38 6.113 2.056 3.043 240 2HB ALA 38 2HB ALA 38 6.450 2.793 4.628 241 3HB ALA 38 3HB ALA 38 4.775 2.413 4.160 242 H TRP 39 H TRP 39 7.163 5.127 5.000 243 HA TRP 39 HA TRP 39 8.815 6.618 3.205 244 1HB TRP 39 1HB TRP 39 10.010 7.276 5.196 245 2HB TRP 39 2HB TRP 39 8.269 7.460 5.416 246 HD1 TRP 39 HD TRP 39 7.094 5.425 6.997 247 HE1 TRP 39 1HE TRP 39 7.993 4.109 9.099 248 HE3 TRP 39 3HE TRP 39 12.011 6.425 6.177 249 HZ2 TRP 39 2HZ TRP 39 10.601 3.644 10.160 250 HZ3 TRP 39 3HZ TRP 39 13.670 5.503 7.793 251 HH2 TRP 39 HH TRP 39 13.033 4.155 9.730 252 H VAL 40 H VAL 40 10.218 5.530 1.880 253 HA VAL 40 HA VAL 40 11.431 3.083 2.914 254 HB VAL 40 HB VAL 40 10.244 3.682 0.524 255 1HG1 VAL 40 1HG1 VAL 40 13.243 3.765 0.047 256 2HG1 VAL 40 2HG1 VAL 40 11.968 3.748 -1.196 257 3HG1 VAL 40 3HG1 VAL 40 12.136 5.148 -0.112 258 1HG2 VAL 40 1HG2 VAL 40 11.706 1.511 1.725 259 2HG2 VAL 40 2HG2 VAL 40 10.396 1.460 0.522 260 3HG2 VAL 40 3HG2 VAL 40 12.090 1.599 -0.010 261 H ASP 41 H ASP 41 12.219 6.297 1.461 262 HA ASP 41 HA ASP 41 15.003 5.815 1.898 263 1HB ASP 41 1HB ASP 41 13.479 7.449 0.206 264 2HB ASP 41 2HB ASP 41 14.205 8.599 1.341 265 HD2 ASP 41 HD2 ASP 41 17.262 6.778 -0.116 266 H THR 42 H THR 42 15.758 8.534 2.662 267 HA THR 42 HA THR 42 15.531 8.359 5.453 268 HB THR 42 HB THR 42 16.429 10.526 3.494 269 HG1 THR 42 1HG THR 42 17.583 8.410 3.830 270 1HG2 THR 42 1HG2 THR 42 16.188 11.896 5.382 271 2HG2 THR 42 2HG2 THR 42 16.260 10.520 6.511 272 3HG2 THR 42 3HG2 THR 42 17.753 11.141 5.766 273 H GLY 43 H GLY 43 13.226 8.060 5.797 274 1HA GLY 43 1HA GLY 43 11.234 8.834 6.489 275 2HA GLY 43 2HA GLY 43 11.972 10.414 6.657 276 H VAL 44 H VAL 44 12.067 8.778 3.514 277 HA VAL 44 HA VAL 44 10.278 10.847 2.490 278 HB VAL 44 HB VAL 44 12.261 8.994 1.162 279 1HG1 VAL 44 1HG1 VAL 44 11.512 11.095 -0.585 280 2HG1 VAL 44 2HG1 VAL 44 11.207 9.351 -0.771 281 3HG1 VAL 44 3HG1 VAL 44 10.003 10.384 0.038 282 1HG2 VAL 44 1HG2 VAL 44 13.793 10.589 1.465 283 2HG2 VAL 44 2HG2 VAL 44 12.708 11.836 0.806 284 3HG2 VAL 44 3HG2 VAL 44 12.636 11.417 2.534 285 H LEU 45 H LEU 45 8.163 10.268 2.503 286 HA LEU 45 HA LEU 45 7.338 7.579 2.540 287 1HB LEU 45 1HB LEU 45 6.239 10.087 3.000 288 2HB LEU 45 2HB LEU 45 5.319 9.445 1.629 289 HG LEU 45 HG LEU 45 5.739 7.648 3.968 290 1HD1 LEU 45 1HD1 LEU 45 5.243 9.809 5.035 291 2HD1 LEU 45 2HD1 LEU 45 3.763 9.945 4.056 292 3HD1 LEU 45 3HD1 LEU 45 3.924 8.634 5.248 293 1HD2 LEU 45 1HD2 LEU 45 3.598 8.144 1.912 294 2HD2 LEU 45 2HD2 LEU 45 4.502 6.653 2.270 295 3HD2 LEU 45 3HD2 LEU 45 3.252 7.227 3.397 296 H ALA 46 H ALA 46 8.261 6.432 0.807 297 HA ALA 46 HA ALA 46 7.489 7.376 -1.860 298 1HB ALA 46 1HB ALA 46 9.218 5.238 -2.185 299 2HB ALA 46 2HB ALA 46 9.687 6.954 -2.193 300 3HB ALA 46 3HB ALA 46 9.821 6.004 -0.695 301 H CYS 47 H CYS 47 6.396 5.961 -3.318 302 HA CYS 47 HA CYS 47 5.009 3.807 -1.912 303 1HB CYS 47 1HB CYS 47 4.176 5.079 -4.511 304 2HB CYS 47 2HB CYS 47 3.215 4.058 -3.439 305 H ASN 48 H ASN 48 4.708 1.751 -3.116 306 HA ASN 48 HA ASN 48 7.077 1.066 -4.487 307 1HB ASN 48 1HB ASN 48 4.548 -0.337 -3.629 308 2HB ASN 48 2HB ASN 48 5.553 -1.134 -4.851 309 1HD2 ASN 48 1HD2 ASN 48 6.736 1.018 -2.340 310 2HD2 ASN 48 2HD2 ASN 48 7.611 -0.154 -1.411 311 HA PRO 49 HA PRO 49 5.537 1.323 -8.589 312 1HB PRO 49 1HB PRO 49 6.503 -0.902 -9.847 313 2HB PRO 49 2HB PRO 49 7.485 0.527 -9.525 314 1HG PRO 49 1HG PRO 49 7.429 -2.084 -8.152 315 2HG PRO 49 2HG PRO 49 8.729 -0.838 -8.144 316 1HD PRO 49 1HD PRO 49 6.841 -1.457 -6.080 317 2HD PRO 49 2HD PRO 49 7.994 -0.116 -6.088 318 H ALA 50 H ALA 50 4.562 -1.313 -6.707 319 HA ALA 50 HA ALA 50 2.438 -1.899 -8.643 320 1HB ALA 50 1HB ALA 50 3.713 -3.446 -6.368 321 2HB ALA 50 2HB ALA 50 2.147 -3.926 -7.066 322 3HB ALA 50 3HB ALA 50 3.602 -3.888 -8.089 323 H ASP 51 H ASP 51 2.899 0.377 -6.471 324 HA ASP 51 HA ASP 51 0.640 -0.164 -4.784 325 1HB ASP 51 1HB ASP 51 2.030 1.050 -3.460 326 2HB ASP 51 2HB ASP 51 2.921 1.707 -4.844 327 HD2 ASP 51 HD2 ASP 51 0.337 3.961 -2.989 328 H PHE 52 H PHE 52 0.802 0.521 -7.923 329 HA PHE 52 HA PHE 52 -1.067 2.779 -7.856 330 1HB PHE 52 1HB PHE 52 0.243 1.551 -10.315 331 2HB PHE 52 2HB PHE 52 -0.237 3.233 -10.070 332 HD1 PHE 52 1HD PHE 52 2.455 2.032 -11.065 333 HD2 PHE 52 2HD PHE 52 1.123 3.454 -7.295 334 HE1 PHE 52 1HE PHE 52 4.821 2.599 -10.444 335 HE2 PHE 52 2HE PHE 52 3.488 4.022 -6.673 336 HZ PHE 52 HZ PHE 52 5.309 3.588 -8.255 337 H SER 53 H SER 53 -2.914 1.452 -7.247 338 HA SER 53 HA SER 53 -4.033 0.190 -9.572 339 1HB SER 53 1HB SER 53 -3.414 -1.867 -8.831 340 2HB SER 53 2HB SER 53 -3.122 -1.306 -7.173 341 HG SER 53 HG SER 53 -5.788 -1.573 -8.233 342 H SER 54 H SER 54 -5.500 2.002 -9.520 343 HA SER 54 HA SER 54 -6.783 2.896 -7.275 344 1HB SER 54 1HB SER 54 -8.575 3.651 -8.991 345 2HB SER 54 2HB SER 54 -6.924 4.266 -9.194 346 HG SER 54 HG SER 54 -7.842 3.514 -11.205 347 H VAL 55 H VAL 55 -8.623 2.256 -6.125 348 HA VAL 55 HA VAL 55 -10.096 -0.034 -7.215 349 HB VAL 55 HB VAL 55 -10.198 -0.962 -4.945 350 1HG1 VAL 55 1HG1 VAL 55 -8.581 -2.034 -6.225 351 2HG1 VAL 55 2HG1 VAL 55 -7.549 -0.588 -6.323 352 3HG1 VAL 55 3HG1 VAL 55 -7.643 -1.511 -4.805 353 1HG2 VAL 55 1HG2 VAL 55 -8.003 0.943 -4.123 354 2HG2 VAL 55 2HG2 VAL 55 -9.719 1.338 -3.866 355 3HG2 VAL 55 3HG2 VAL 55 -9.017 -0.111 -3.107 356 H THR 56 H THR 56 -12.259 -0.300 -5.948 357 HA THR 56 HA THR 56 -13.256 2.285 -5.013 358 HB THR 56 HB THR 56 -13.761 1.096 -7.628 359 HG1 THR 56 1HG THR 56 -14.644 3.248 -7.793 360 1HG2 THR 56 1HG2 THR 56 -15.737 0.028 -6.475 361 2HG2 THR 56 2HG2 THR 56 -16.207 1.631 -5.860 362 3HG2 THR 56 3HG2 THR 56 -16.230 1.309 -7.610 363 H ALA 57 H ALA 57 -14.761 2.162 -3.399 364 HA ALA 57 HA ALA 57 -15.284 -0.562 -2.462 365 1HB ALA 57 1HB ALA 57 -14.577 1.975 -1.221 366 2HB ALA 57 2HB ALA 57 -16.075 1.320 -0.518 367 3HB ALA 57 3HB ALA 57 -14.589 0.339 -0.521 368 H ASP 58 H ASP 58 -17.351 -1.375 -2.351 369 HA ASP 58 HA ASP 58 -19.293 -0.318 -3.920 370 1HB ASP 58 1HB ASP 58 -20.127 -1.819 -1.455 371 2HB ASP 58 2HB ASP 58 -20.642 -2.059 -3.131 372 HD2 ASP 58 HD2 ASP 58 -18.524 -4.828 -2.158 373 H ALA 59 H ALA 59 -21.498 0.585 -3.231 374 HA ALA 59 HA ALA 59 -21.377 2.921 -1.922 375 1HB ALA 59 1HB ALA 59 -23.618 0.898 -2.205 376 2HB ALA 59 2HB ALA 59 -23.882 2.494 -1.460 377 3HB ALA 59 3HB ALA 59 -23.331 2.379 -3.149 378 H ASN 60 H ASN 60 -21.446 -0.326 -0.501 379 HA ASN 60 HA ASN 60 -21.980 0.741 2.105 380 1HB ASN 60 1HB ASN 60 -22.661 -1.606 1.086 381 2HB ASN 60 2HB ASN 60 -21.028 -2.093 1.559 382 1HD2 ASN 60 1HD2 ASN 60 -23.031 -3.417 2.666 383 2HD2 ASN 60 2HD2 ASN 60 -23.286 -2.987 4.325 384 H GLY 61 H GLY 61 -19.585 1.733 0.718 385 1HA GLY 61 1HA GLY 61 -17.341 1.928 0.909 386 2HA GLY 61 2HA GLY 61 -17.668 1.764 2.624 387 H SER 62 H SER 62 -18.097 -0.719 0.026 388 HA SER 62 HA SER 62 -16.346 -2.420 1.587 389 1HB SER 62 1HB SER 62 -17.559 -3.764 -0.663 390 2HB SER 62 2HB SER 62 -17.803 -4.063 1.067 391 HG SER 62 HG SER 62 -19.786 -3.488 -0.025 392 H ALA 63 H ALA 63 -14.248 -1.783 0.939 393 HA ALA 63 HA ALA 63 -13.729 -1.761 -1.941 394 1HB ALA 63 1HB ALA 63 -11.419 -1.017 -0.501 395 2HB ALA 63 2HB ALA 63 -12.544 0.060 -1.361 396 3HB ALA 63 3HB ALA 63 -12.781 -0.272 0.370 397 H SER 64 H SER 64 -13.849 -4.073 -2.239 398 HA SER 64 HA SER 64 -11.870 -5.574 -0.749 399 1HB SER 64 1HB SER 64 -12.975 -7.536 -2.008 400 2HB SER 64 2HB SER 64 -13.952 -6.709 -0.782 401 HG SER 64 HG SER 64 -15.189 -7.025 -2.696 402 H THR 65 H THR 65 -10.021 -4.539 -1.863 403 HA THR 65 HA THR 65 -9.750 -5.416 -4.662 404 HB THR 65 HB THR 65 -9.705 -2.952 -4.302 405 HG1 THR 65 1HG THR 65 -7.045 -4.145 -4.626 406 1HG2 THR 65 1HG2 THR 65 -8.103 -1.876 -2.907 407 2HG2 THR 65 2HG2 THR 65 -8.662 -3.224 -1.888 408 3HG2 THR 65 3HG2 THR 65 -7.114 -3.349 -2.759 409 H SER 66 H SER 66 -8.214 -6.851 -5.228 410 HA SER 66 HA SER 66 -6.458 -7.670 -3.053 411 1HB SER 66 1HB SER 66 -6.299 -9.843 -4.246 412 2HB SER 66 2HB SER 66 -7.970 -9.447 -3.812 413 HG SER 66 HG SER 66 -7.193 -10.191 -6.165 414 H LEU 67 H LEU 67 -4.207 -7.704 -3.387 415 HA LEU 67 HA LEU 67 -3.196 -7.348 -6.067 416 1HB LEU 67 1HB LEU 67 -3.704 -5.110 -4.475 417 2HB LEU 67 2HB LEU 67 -1.954 -5.367 -4.381 418 HG LEU 67 HG LEU 67 -2.647 -3.790 -6.158 419 1HD1 LEU 67 1HD1 LEU 67 -0.560 -5.211 -6.265 420 2HD1 LEU 67 2HD1 LEU 67 -1.446 -6.283 -7.375 421 3HD1 LEU 67 3HD1 LEU 67 -1.157 -4.584 -7.820 422 1HD2 LEU 67 1HD2 LEU 67 -3.875 -6.180 -7.551 423 2HD2 LEU 67 2HD2 LEU 67 -4.808 -4.938 -6.682 424 3HD2 LEU 67 3HD2 LEU 67 -3.841 -4.488 -8.106 425 H THR 68 H THR 68 -0.617 -7.140 -5.825 426 HA THR 68 HA THR 68 0.099 -9.245 -3.904 427 HB THR 68 HB THR 68 1.200 -8.331 -6.604 428 HG1 THR 68 1HG THR 68 0.216 -10.806 -5.364 429 1HG2 THR 68 1HG2 THR 68 3.224 -9.263 -6.106 430 2HG2 THR 68 2HG2 THR 68 2.695 -9.496 -4.422 431 3HG2 THR 68 3HG2 THR 68 2.405 -10.771 -5.630 432 H VAL 69 H VAL 69 1.625 -8.966 -2.346 433 HA VAL 69 HA VAL 69 2.443 -6.215 -1.928 434 HB VAL 69 HB VAL 69 2.779 -8.680 -0.207 435 1HG1 VAL 69 1HG1 VAL 69 2.671 -6.036 1.078 436 2HG1 VAL 69 2HG1 VAL 69 3.781 -7.400 1.350 437 3HG1 VAL 69 3HG1 VAL 69 4.078 -6.261 0.014 438 1HG2 VAL 69 1HG2 VAL 69 0.840 -7.845 1.058 439 2HG2 VAL 69 2HG2 VAL 69 0.637 -6.528 -0.124 440 3HG2 VAL 69 3HG2 VAL 69 0.411 -8.221 -0.628 441 H ARG 70 H ARG 70 4.007 -5.922 -3.592 442 HA ARG 70 HA ARG 70 6.225 -7.757 -3.550 443 1HB ARG 70 1HB ARG 70 5.718 -5.324 -5.323 444 2HB ARG 70 2HB ARG 70 6.972 -6.548 -5.586 445 1HG ARG 70 1HG ARG 70 5.468 -8.102 -6.371 446 2HG ARG 70 2HG ARG 70 4.156 -7.542 -5.320 447 1HD ARG 70 1HD ARG 70 3.675 -5.688 -6.772 448 2HD ARG 70 2HD ARG 70 5.176 -5.909 -7.686 449 HE ARG 70 HE ARG 70 2.666 -7.356 -8.043 450 1HH1 ARG 70 1HH1 ARG 70 6.157 -7.573 -8.436 451 2HH1 ARG 70 2HH1 ARG 70 6.070 -8.768 -9.685 452 1HH2 ARG 70 1HH2 ARG 70 2.551 -8.932 -9.692 453 2HH2 ARG 70 2HH2 ARG 70 4.005 -9.547 -10.405 454 H ARG 71 H ARG 71 7.618 -7.312 -1.833 455 HA ARG 71 HA ARG 71 7.982 -4.640 -0.975 456 1HB ARG 71 1HB ARG 71 8.147 -6.983 0.311 457 2HB ARG 71 2HB ARG 71 9.854 -6.865 -0.150 458 1HG ARG 71 1HG ARG 71 10.147 -4.841 1.065 459 2HG ARG 71 2HG ARG 71 8.402 -4.555 1.195 460 1HD ARG 71 1HD ARG 71 10.190 -6.360 2.786 461 2HD ARG 71 2HD ARG 71 8.808 -5.396 3.324 462 HE ARG 71 HE ARG 71 8.757 -8.155 2.488 463 1HH1 ARG 71 1HH1 ARG 71 6.864 -5.193 2.334 464 2HH1 ARG 71 2HH1 ARG 71 5.347 -6.019 2.191 465 1HH2 ARG 71 1HH2 ARG 71 6.757 -9.245 2.298 466 2HH2 ARG 71 2HH2 ARG 71 5.286 -8.338 2.171 467 H SER 72 H SER 72 9.549 -6.894 -3.199 468 HA SER 72 HA SER 72 11.898 -5.198 -3.302 469 1HB SER 72 1HB SER 72 11.522 -7.973 -3.462 470 2HB SER 72 2HB SER 72 11.895 -7.493 -5.127 471 HG SER 72 HG SER 72 13.497 -6.413 -3.031 472 H PHE 73 H PHE 73 11.842 -3.531 -4.761 473 HA PHE 73 HA PHE 73 11.471 -3.842 -7.443 474 1HB PHE 73 1HB PHE 73 9.016 -3.961 -5.962 475 2HB PHE 73 2HB PHE 73 9.039 -2.357 -6.700 476 HD1 PHE 73 1HD PHE 73 7.175 -4.788 -7.237 477 HD2 PHE 73 2HD PHE 73 10.628 -3.284 -9.194 478 HE1 PHE 73 1HE PHE 73 6.386 -5.789 -9.398 479 HE2 PHE 73 2HE PHE 73 9.838 -4.285 -11.356 480 HZ PHE 73 HZ PHE 73 7.726 -5.526 -11.432 481 H GLU 74 H GLU 74 10.554 -1.476 -8.393 482 HA GLU 74 HA GLU 74 12.349 0.361 -7.085 483 1HB GLU 74 1HB GLU 74 12.385 -0.067 -9.577 484 2HB GLU 74 2HB GLU 74 10.810 0.739 -9.687 485 1HG GLU 74 1HG GLU 74 11.809 2.760 -9.670 486 2HG GLU 74 2HG GLU 74 12.633 2.390 -8.148 487 HE2 GLU 74 HE2 GLU 74 14.586 1.904 -11.583 488 H GLY 75 H GLY 75 11.662 1.972 -5.738 489 1HA GLY 75 1HA GLY 75 8.763 2.487 -5.628 490 2HA GLY 75 2HA GLY 75 9.919 2.747 -4.337 491 H PHE 76 H PHE 76 8.137 4.789 -5.094 492 HA PHE 76 HA PHE 76 9.964 6.655 -6.439 493 1HB PHE 76 1HB PHE 76 6.906 6.389 -6.362 494 2HB PHE 76 2HB PHE 76 7.718 7.801 -7.048 495 HD1 PHE 76 1HD PHE 76 7.436 4.108 -7.388 496 HD2 PHE 76 2HD PHE 76 8.370 7.784 -9.290 497 HE1 PHE 76 1HE PHE 76 7.582 2.928 -9.599 498 HE2 PHE 76 2HE PHE 76 8.514 6.605 -11.501 499 HZ PHE 76 HZ PHE 76 8.119 4.191 -11.628 500 H LEU 77 H LEU 77 10.397 8.592 -5.406 501 HA LEU 77 HA LEU 77 10.113 8.811 -2.708 502 1HB LEU 77 1HB LEU 77 10.320 10.998 -4.771 503 2HB LEU 77 2HB LEU 77 10.602 11.211 -3.035 504 HG LEU 77 HG LEU 77 12.190 9.291 -4.750 505 1HD1 LEU 77 1HD1 LEU 77 12.245 12.160 -4.822 506 2HD1 LEU 77 2HD1 LEU 77 13.768 11.555 -4.127 507 3HD1 LEU 77 3HD1 LEU 77 13.234 10.987 -5.726 508 1HD2 LEU 77 1HD2 LEU 77 12.268 8.837 -2.362 509 2HD2 LEU 77 2HD2 LEU 77 13.835 9.458 -2.931 510 3HD2 LEU 77 3HD2 LEU 77 12.727 10.525 -2.034 511 H PHE 78 H PHE 78 8.896 10.818 -1.622 512 HA PHE 78 HA PHE 78 6.121 10.201 -1.976 513 1HB PHE 78 1HB PHE 78 5.947 11.353 0.111 514 2HB PHE 78 2HB PHE 78 7.596 10.725 0.176 515 HD1 PHE 78 1HD PHE 78 9.497 12.273 -0.340 516 HD2 PHE 78 2HD PHE 78 5.515 13.669 0.124 517 HE1 PHE 78 1HE PHE 78 10.355 14.606 0.008 518 HE2 PHE 78 2HE PHE 78 6.375 16.002 0.472 519 HZ PHE 78 HZ PHE 78 8.784 16.443 0.410 520 H ASP 79 H ASP 79 8.384 12.700 -3.013 521 HA ASP 79 HA ASP 79 6.429 14.685 -3.404 522 1HB ASP 79 1HB ASP 79 8.382 15.455 -5.091 523 2HB ASP 79 2HB ASP 79 8.521 15.661 -3.338 524 HD2 ASP 79 HD2 ASP 79 10.900 13.099 -5.196 525 H GLY 80 H GLY 80 8.351 12.511 -5.620 526 1HA GLY 80 1HA GLY 80 6.333 11.633 -7.236 527 2HA GLY 80 2HA GLY 80 6.773 13.185 -7.922 528 H THR 81 H THR 81 9.639 12.940 -6.945 529 HA THR 81 HA THR 81 10.675 11.687 -9.262 530 HB THR 81 HB THR 81 11.903 12.774 -6.676 531 HG1 THR 81 1HG THR 81 11.795 14.616 -7.922 532 1HG2 THR 81 1HG2 THR 81 13.137 11.255 -8.868 533 2HG2 THR 81 2HG2 THR 81 13.742 12.929 -8.831 534 3HG2 THR 81 3HG2 THR 81 13.894 11.896 -7.389 535 H ARG 82 H ARG 82 11.453 9.686 -9.666 536 HA ARG 82 HA ARG 82 10.682 7.664 -7.910 537 1HB ARG 82 1HB ARG 82 12.143 6.231 -9.516 538 2HB ARG 82 2HB ARG 82 10.763 7.086 -10.224 539 1HG ARG 82 1HG ARG 82 13.087 8.814 -10.209 540 2HG ARG 82 2HG ARG 82 13.515 7.269 -10.966 541 1HD ARG 82 1HD ARG 82 10.884 8.286 -11.822 542 2HD ARG 82 2HD ARG 82 12.199 9.407 -12.206 543 HE ARG 82 HE ARG 82 13.091 6.841 -12.963 544 1HH1 ARG 82 1HH1 ARG 82 10.477 9.025 -13.845 545 2HH1 ARG 82 2HH1 ARG 82 10.367 8.442 -15.473 546 1HH2 ARG 82 1HH2 ARG 82 12.946 6.071 -15.109 547 2HH2 ARG 82 2HH2 ARG 82 11.780 6.750 -16.195 548 H TRP 83 H TRP 83 11.877 6.456 -6.390 549 HA TRP 83 HA TRP 83 14.554 7.505 -5.827 550 1HB TRP 83 1HB TRP 83 13.123 7.767 -3.981 551 2HB TRP 83 2HB TRP 83 12.483 6.131 -4.127 552 HD1 TRP 83 HD TRP 83 13.423 4.683 -2.178 553 HE1 TRP 83 1HE TRP 83 15.669 4.390 -0.824 554 HE3 TRP 83 3HE TRP 83 15.977 8.348 -4.604 555 HZ2 TRP 83 2HZ TRP 83 18.206 5.693 -0.920 556 HZ3 TRP 83 3HZ TRP 83 18.335 8.773 -3.913 557 HH2 TRP 83 HH TRP 83 19.450 7.515 -2.139 558 H GLY 84 H GLY 84 13.229 4.353 -4.786 559 1HA GLY 84 1HA GLY 84 14.267 2.724 -6.801 560 2HA GLY 84 2HA GLY 84 15.528 2.938 -5.602 561 H THR 85 H THR 85 14.107 3.094 -3.187 562 HA THR 85 HA THR 85 13.160 1.835 -1.619 563 HB THR 85 HB THR 85 11.564 1.017 -4.080 564 HG1 THR 85 1HG THR 85 10.785 2.204 -1.539 565 1HG2 THR 85 1HG2 THR 85 10.991 -0.892 -2.876 566 2HG2 THR 85 2HG2 THR 85 11.554 -0.203 -1.333 567 3HG2 THR 85 3HG2 THR 85 9.970 0.270 -1.994 568 H VAL 86 H VAL 86 13.402 -0.455 -4.427 569 HA VAL 86 HA VAL 86 14.472 -2.375 -4.638 570 HB VAL 86 HB VAL 86 16.205 -1.223 -2.446 571 1HG1 VAL 86 1HG1 VAL 86 17.083 -3.276 -2.259 572 2HG1 VAL 86 2HG1 VAL 86 16.208 -3.872 -3.691 573 3HG1 VAL 86 3HG1 VAL 86 17.756 -3.015 -3.888 574 1HG2 VAL 86 1HG2 VAL 86 17.652 -1.260 -4.803 575 2HG2 VAL 86 2HG2 VAL 86 16.015 -0.818 -5.344 576 3HG2 VAL 86 3HG2 VAL 86 16.835 0.156 -4.099 577 H ASP 87 H ASP 87 15.507 -2.611 -1.296 578 HA ASP 87 HA ASP 87 13.543 -4.699 -0.959 579 1HB ASP 87 1HB ASP 87 16.234 -4.505 -0.342 580 2HB ASP 87 2HB ASP 87 15.487 -4.187 1.230 581 HD2 ASP 87 HD2 ASP 87 16.014 -7.809 0.478 582 H CYS 88 H CYS 88 11.606 -3.869 -0.117 583 HA CYS 88 HA CYS 88 11.742 -1.649 1.726 584 1HB CYS 88 1HB CYS 88 10.101 -1.487 0.011 585 2HB CYS 88 2HB CYS 88 9.439 -3.079 0.394 586 H THR 89 H THR 89 12.993 -4.046 2.658 587 HA THR 89 HA THR 89 11.045 -5.352 4.382 588 HB THR 89 HB THR 89 12.774 -6.659 3.113 589 HG1 THR 89 1HG THR 89 12.701 -7.880 4.957 590 1HG2 THR 89 1HG2 THR 89 14.671 -5.043 3.176 591 2HG2 THR 89 2HG2 THR 89 14.703 -5.148 4.952 592 3HG2 THR 89 3HG2 THR 89 15.132 -6.570 3.970 593 H THR 90 H THR 90 13.323 -2.713 4.449 594 HA THR 90 HA THR 90 13.525 -2.810 7.349 595 HB THR 90 HB THR 90 14.690 -1.022 5.157 596 HG1 THR 90 1HG THR 90 16.563 -2.276 5.816 597 1HG2 THR 90 1HG2 THR 90 16.228 -0.249 7.029 598 2HG2 THR 90 2HG2 THR 90 14.557 0.340 7.203 599 3HG2 THR 90 3HG2 THR 90 15.125 -1.029 8.188 600 H ALA 91 H ALA 91 12.126 -0.700 4.769 601 HA ALA 91 HA ALA 91 10.802 0.854 6.835 602 1HB ALA 91 1HB ALA 91 11.456 1.131 3.940 603 2HB ALA 91 2HB ALA 91 9.940 1.891 4.482 604 3HB ALA 91 3HB ALA 91 11.485 2.344 5.241 605 H ALA 92 H ALA 92 9.025 -0.105 7.719 606 HA ALA 92 HA ALA 92 7.563 -2.142 6.643 607 1HB ALA 92 1HB ALA 92 7.519 -1.197 8.998 608 2HB ALA 92 2HB ALA 92 6.453 0.090 8.384 609 3HB ALA 92 3HB ALA 92 5.925 -1.608 8.324 610 H CYS 93 H CYS 93 6.425 -2.302 4.784 611 HA CYS 93 HA CYS 93 5.606 0.114 3.464 612 1HB CYS 93 1HB CYS 93 4.796 -2.513 2.381 613 2HB CYS 93 2HB CYS 93 5.481 -1.104 1.566 614 H GLN 94 H GLN 94 3.548 0.977 3.589 615 HA GLN 94 HA GLN 94 1.612 -0.605 5.058 616 1HB GLN 94 1HB GLN 94 1.773 2.361 4.416 617 2HB GLN 94 2HB GLN 94 0.395 1.622 5.250 618 1HG GLN 94 1HG GLN 94 1.613 1.231 7.183 619 2HG GLN 94 2HG GLN 94 3.152 1.065 6.323 620 1HE2 GLN 94 1HE2 GLN 94 4.150 2.452 7.787 621 2HE2 GLN 94 2HE2 GLN 94 3.931 4.169 7.753 622 H VAL 95 H VAL 95 0.235 -1.802 3.818 623 HA VAL 95 HA VAL 95 -0.298 -0.935 1.107 624 HB VAL 95 HB VAL 95 -1.216 -3.389 2.617 625 1HG1 VAL 95 1HG1 VAL 95 -0.887 -3.506 -0.308 626 2HG1 VAL 95 2HG1 VAL 95 -2.199 -4.118 0.726 627 3HG1 VAL 95 3HG1 VAL 95 -2.174 -2.406 0.241 628 1HG2 VAL 95 1HG2 VAL 95 1.405 -2.705 1.879 629 2HG2 VAL 95 2HG2 VAL 95 0.803 -4.308 2.360 630 3HG2 VAL 95 3HG2 VAL 95 0.852 -3.856 0.639 631 H GLY 96 H GLY 96 -1.919 0.467 0.692 632 1HA GLY 96 1HA GLY 96 -4.535 0.032 1.774 633 2HA GLY 96 2HA GLY 96 -3.750 1.426 2.489 634 H LEU 97 H LEU 97 -5.983 2.026 1.116 635 HA LEU 97 HA LEU 97 -5.050 2.870 -1.535 636 1HB LEU 97 1HB LEU 97 -7.765 3.266 -1.460 637 2HB LEU 97 2HB LEU 97 -6.914 1.918 -2.233 638 HG LEU 97 HG LEU 97 -8.751 1.096 -0.901 639 1HD1 LEU 97 1HD1 LEU 97 -6.063 0.272 -0.622 640 2HD1 LEU 97 2HD1 LEU 97 -6.816 0.128 0.984 641 3HD1 LEU 97 3HD1 LEU 97 -7.542 -0.696 -0.416 642 1HD2 LEU 97 1HD2 LEU 97 -8.023 1.524 1.770 643 2HD2 LEU 97 2HD2 LEU 97 -7.867 3.112 0.978 644 3HD2 LEU 97 3HD2 LEU 97 -9.407 2.223 0.896 645 H SER 98 H SER 98 -4.330 4.924 -1.584 646 HA SER 98 HA SER 98 -5.161 6.706 0.489 647 1HB SER 98 1HB SER 98 -3.590 8.300 -0.689 648 2HB SER 98 2HB SER 98 -2.838 6.788 -0.154 649 HG SER 98 HG SER 98 -3.402 7.735 -2.777 650 H ASP 99 H ASP 99 -6.057 8.909 0.008 651 HA ASP 99 HA ASP 99 -8.358 8.885 -1.294 652 1HB ASP 99 1HB ASP 99 -6.643 11.356 -1.555 653 2HB ASP 99 2HB ASP 99 -8.360 11.243 -1.137 654 HD2 ASP 99 HD2 ASP 99 -6.506 12.086 1.850 655 H ALA 100 H ALA 100 -9.009 10.094 -3.413 656 HA ALA 100 HA ALA 100 -7.674 8.947 -5.585 657 1HB ALA 100 1HB ALA 100 -9.362 11.366 -6.016 658 2HB ALA 100 2HB ALA 100 -9.451 9.758 -6.772 659 3HB ALA 100 3HB ALA 100 -10.127 10.015 -5.147 660 H ALA 101 H ALA 101 -7.088 11.838 -3.704 661 HA ALA 101 HA ALA 101 -5.784 13.320 -5.735 662 1HB ALA 101 1HB ALA 101 -5.353 13.512 -2.735 663 2HB ALA 101 2HB ALA 101 -5.200 14.799 -3.954 664 3HB ALA 101 3HB ALA 101 -6.806 14.153 -3.540 665 H GLY 102 H GLY 102 -5.023 10.388 -4.202 666 1HA GLY 102 1HA GLY 102 -3.171 9.100 -4.487 667 2HA GLY 102 2HA GLY 102 -2.346 10.437 -5.263 668 H ASN 103 H ASN 103 -3.948 10.828 -2.100 669 HA ASN 103 HA ASN 103 -1.403 10.523 -0.775 670 1HB ASN 103 1HB ASN 103 -1.939 12.758 0.459 671 2HB ASN 103 2HB ASN 103 -1.281 12.879 -1.180 672 1HD2 ASN 103 1HD2 ASN 103 -2.171 14.614 -2.029 673 2HD2 ASN 103 2HD2 ASN 103 -3.863 14.978 -2.112 674 H GLY 104 H GLY 104 -1.727 10.416 1.657 675 1HA GLY 104 1HA GLY 104 -3.767 10.695 3.250 676 2HA GLY 104 2HA GLY 104 -4.400 9.377 2.285 677 HA PRO 105 HA PRO 105 -1.286 7.924 5.488 678 1HB PRO 105 1HB PRO 105 -2.710 7.768 7.815 679 2HB PRO 105 2HB PRO 105 -1.614 9.099 7.441 680 1HG PRO 105 1HG PRO 105 -4.561 8.990 7.362 681 2HG PRO 105 2HG PRO 105 -3.493 10.436 7.455 682 1HD PRO 105 1HD PRO 105 -4.941 9.432 5.198 683 2HD PRO 105 2HD PRO 105 -3.778 10.765 5.198 684 H GLU 106 H GLU 106 -4.390 7.178 4.466 685 HA GLU 106 HA GLU 106 -4.927 4.823 5.642 686 1HB GLU 106 1HB GLU 106 -5.671 6.199 3.233 687 2HB GLU 106 2HB GLU 106 -5.470 4.483 2.845 688 1HG GLU 106 1HG GLU 106 -7.654 4.430 3.571 689 2HG GLU 106 2HG GLU 106 -6.864 4.210 5.139 690 HE2 GLU 106 HE2 GLU 106 -8.800 7.579 4.382 691 H GLY 107 H GLY 107 -3.592 3.113 6.049 692 1HA GLY 107 1HA GLY 107 -2.461 1.593 3.964 693 2HA GLY 107 2HA GLY 107 -1.213 2.592 4.680 694 H VAL 108 H VAL 108 -2.003 -0.450 4.750 695 HA VAL 108 HA VAL 108 -2.133 -0.718 7.666 696 HB VAL 108 HB VAL 108 -3.878 -1.811 6.304 697 1HG1 VAL 108 1HG1 VAL 108 -2.324 -4.047 5.338 698 2HG1 VAL 108 2HG1 VAL 108 -3.419 -2.963 4.448 699 3HG1 VAL 108 3HG1 VAL 108 -1.707 -2.526 4.644 700 1HG2 VAL 108 1HG2 VAL 108 -3.523 -4.146 7.287 701 2HG2 VAL 108 2HG2 VAL 108 -1.971 -3.534 7.905 702 3HG2 VAL 108 3HG2 VAL 108 -3.496 -2.780 8.429 703 H ALA 109 H ALA 109 -0.352 -1.353 8.786 704 HA ALA 109 HA ALA 109 2.116 -1.564 7.461 705 1HB ALA 109 1HB ALA 109 1.249 -2.284 10.290 706 2HB ALA 109 2HB ALA 109 2.937 -2.164 9.740 707 3HB ALA 109 3HB ALA 109 1.896 -0.719 9.743 708 H ILE 110 H ILE 110 2.120 -3.205 5.892 709 HA ILE 110 HA ILE 110 1.155 -5.802 6.477 710 HB ILE 110 HB ILE 110 2.015 -4.323 4.227 711 1HG1 ILE 110 1HG1 ILE 110 1.021 -6.340 3.033 712 2HG1 ILE 110 2HG1 ILE 110 0.717 -7.020 4.643 713 1HG2 ILE 110 1HG2 ILE 110 4.197 -5.243 4.293 714 2HG2 ILE 110 2HG2 ILE 110 3.581 -6.875 4.646 715 3HG2 ILE 110 3HG2 ILE 110 3.305 -6.147 3.045 716 1HD1 ILE 110 1HD1 ILE 110 -0.955 -5.503 5.098 717 2HD1 ILE 110 2HD1 ILE 110 -0.139 -4.185 4.224 718 3HD1 ILE 110 3HD1 ILE 110 -1.050 -5.420 3.323 719 H SER 111 H SER 111 2.128 -7.468 7.516 720 HA SER 111 HA SER 111 4.571 -7.021 8.781 721 1HB SER 111 1HB SER 111 3.177 -9.682 8.308 722 2HB SER 111 2HB SER 111 4.339 -9.316 9.595 723 HG SER 111 HG SER 111 2.815 -8.194 10.701 724 H PHE 112 H PHE 112 5.569 -6.379 6.501 725 HA PHE 112 HA PHE 112 6.156 -7.987 4.481 726 1HB PHE 112 1HB PHE 112 8.542 -6.853 4.716 727 2HB PHE 112 2HB PHE 112 7.137 -5.795 4.546 728 HD1 PHE 112 1HD PHE 112 6.388 -4.441 6.402 729 HD2 PHE 112 2HD PHE 112 9.689 -7.069 6.847 730 HE1 PHE 112 1HE PHE 112 7.010 -3.297 8.548 731 HE2 PHE 112 2HE PHE 112 10.313 -5.926 8.991 732 HZ PHE 112 HZ PHE 112 8.966 -4.051 9.816 733 H ASN 113 H ASN 113 8.051 -9.359 3.893 734 HA ASN 113 HA ASN 113 8.302 -11.449 5.674 735 1HB ASN 113 1HB ASN 113 10.174 -12.191 4.107 736 2HB ASN 113 2HB ASN 113 8.648 -11.818 3.291 737 1HD2 ASN 113 1HD2 ASN 113 8.924 -10.777 1.482 738 2HD2 ASN 113 2HD2 ASN 113 10.115 -9.573 1.127 739 6H NCZ 130 6H NCZ 130 1.894 13.705 -0.016 740 6H1 NCZ 130 6H1 NCZ 130 -0.090 11.602 0.348 741 5H1 NCZ 130 5H1 NCZ 130 1.309 12.187 2.514 742 4H1 NCZ 130 4H1 NCZ 130 3.794 11.139 1.949 743 5H NCZ 130 5H NCZ 130 4.074 11.456 -1.659 744 3H1 NCZ 130 3H1 NCZ 130 3.471 9.839 -0.089 745 2H1 NCZ 130 2H1 NCZ 130 1.986 11.291 -1.545 746 2H NCZ 130 2H NCZ 130 0.502 8.188 -4.547 747 8H NCZ 130 8H NCZ 130 -0.557 5.174 -4.211 748 7H NCZ 130 7H NCZ 130 -1.480 4.147 -2.161 749 3H NCZ 130 3H NCZ 130 -1.062 5.020 2.439 750 1H17 NCZ 130 1H17 NCZ 130 1.054 8.506 4.316 751 2H17 NCZ 130 2H17 NCZ 130 1.827 8.610 2.717 752 3H17 NCZ 130 3H17 NCZ 130 0.140 9.132 2.924 753 1H18 NCZ 130 1H18 NCZ 130 -1.676 3.188 -0.619 754 2H18 NCZ 130 2H18 NCZ 130 -1.702 3.171 1.160 755 3H18 NCZ 130 3H18 NCZ 130 -2.924 4.102 0.260 756 1H NCZ 130 1H NCZ 130 1.253 8.072 0.615 Start of MODEL 21 1 H ALA 1 H ALA 1 -13.155 -6.029 13.425 2 HA ALA 1 HA ALA 1 -10.236 -6.005 13.257 3 1HB ALA 1 1HB ALA 1 -11.468 -8.498 12.291 4 2HB ALA 1 2HB ALA 1 -10.030 -8.256 13.312 5 3HB ALA 1 3HB ALA 1 -11.650 -8.260 14.047 6 H ALA 2 H ALA 2 -10.668 -4.220 11.762 7 HA ALA 2 HA ALA 2 -10.709 -5.023 9.117 8 1HB ALA 2 1HB ALA 2 -13.271 -3.568 9.524 9 2HB ALA 2 2HB ALA 2 -12.861 -4.869 8.379 10 3HB ALA 2 3HB ALA 2 -13.250 -5.261 10.070 11 HA PRO 3 HA PRO 3 -9.413 -0.805 10.250 12 1HB PRO 3 1HB PRO 3 -6.729 -1.099 9.850 13 2HB PRO 3 2HB PRO 3 -7.489 -1.245 11.433 14 1HG PRO 3 1HG PRO 3 -6.488 -3.336 9.608 15 2HG PRO 3 2HG PRO 3 -6.806 -3.448 11.377 16 1HD PRO 3 1HD PRO 3 -8.372 -4.488 9.217 17 2HD PRO 3 2HD PRO 3 -8.809 -4.483 10.932 18 H THR 4 H THR 4 -10.769 -0.497 8.325 19 HA THR 4 HA THR 4 -11.029 0.093 6.189 20 HB THR 4 HB THR 4 -9.636 1.918 5.574 21 HG1 THR 4 1HG THR 4 -7.424 1.606 5.677 22 1HG2 THR 4 1HG2 THR 4 -9.425 3.151 7.521 23 2HG2 THR 4 2HG2 THR 4 -10.270 1.768 8.256 24 3HG2 THR 4 3HG2 THR 4 -8.495 1.870 8.335 25 H ALA 5 H ALA 5 -8.487 0.418 4.384 26 HA ALA 5 HA ALA 5 -8.782 -2.168 3.213 27 1HB ALA 5 1HB ALA 5 -8.558 -0.424 1.664 28 2HB ALA 5 2HB ALA 5 -7.267 0.371 2.596 29 3HB ALA 5 3HB ALA 5 -6.922 -1.122 1.692 30 H THR 6 H THR 6 -7.739 -3.962 3.903 31 HA THR 6 HA THR 6 -4.935 -3.695 4.659 32 HB THR 6 HB THR 6 -5.685 -5.345 6.641 33 HG1 THR 6 1HG THR 6 -7.956 -3.599 5.985 34 1HG2 THR 6 1HG2 THR 6 -6.596 -2.923 7.736 35 2HG2 THR 6 2HG2 THR 6 -4.906 -3.484 7.734 36 3HG2 THR 6 3HG2 THR 6 -5.485 -2.399 6.447 37 H VAL 7 H VAL 7 -3.675 -5.494 4.204 38 HA VAL 7 HA VAL 7 -4.868 -7.274 2.299 39 HB VAL 7 HB VAL 7 -2.103 -7.630 3.348 40 1HG1 VAL 7 1HG1 VAL 7 -2.240 -7.380 0.520 41 2HG1 VAL 7 2HG1 VAL 7 -1.971 -8.849 1.488 42 3HG1 VAL 7 3HG1 VAL 7 -3.625 -8.376 1.032 43 1HG2 VAL 7 1HG2 VAL 7 -3.154 -5.105 2.185 44 2HG2 VAL 7 2HG2 VAL 7 -1.762 -5.385 3.257 45 3HG2 VAL 7 3HG2 VAL 7 -1.622 -5.710 1.512 46 H THR 8 H THR 8 -5.170 -9.525 2.508 47 HA THR 8 HA THR 8 -6.210 -10.532 4.751 48 HB THR 8 HB THR 8 -4.928 -11.580 2.294 49 HG1 THR 8 1HG THR 8 -6.987 -12.614 2.361 50 1HG2 THR 8 1HG2 THR 8 -4.961 -13.947 3.105 51 2HG2 THR 8 2HG2 THR 8 -3.697 -13.009 3.937 52 3HG2 THR 8 3HG2 THR 8 -5.229 -13.368 4.766 53 HA PRO 9 HA PRO 9 -2.047 -11.862 6.467 54 1HB PRO 9 1HB PRO 9 0.275 -11.135 5.226 55 2HB PRO 9 2HB PRO 9 -0.507 -12.694 4.969 56 1HG PRO 9 1HG PRO 9 -0.443 -10.298 3.248 57 2HG PRO 9 2HG PRO 9 -0.813 -12.003 2.790 58 1HD PRO 9 1HD PRO 9 -2.630 -9.814 3.125 59 2HD PRO 9 2HD PRO 9 -3.056 -11.505 2.831 60 H SER 10 H SER 10 0.201 -10.738 7.363 61 HA SER 10 HA SER 10 -0.318 -7.926 7.560 62 1HB SER 10 1HB SER 10 -0.258 -8.010 10.087 63 2HB SER 10 2HB SER 10 -1.737 -8.667 9.365 64 HG SER 10 HG SER 10 0.155 -9.897 10.963 65 H SER 11 H SER 11 1.488 -10.645 9.188 66 HA SER 11 HA SER 11 3.921 -9.178 8.540 67 1HB SER 11 1HB SER 11 4.212 -8.901 10.758 68 2HB SER 11 2HB SER 11 2.908 -10.033 11.160 69 HG SER 11 HG SER 11 5.605 -10.767 10.397 70 H GLY 12 H GLY 12 5.893 -10.646 8.428 71 1HA GLY 12 1HA GLY 12 6.951 -12.548 7.829 72 2HA GLY 12 2HA GLY 12 5.546 -13.473 8.322 73 H LEU 13 H LEU 13 5.271 -10.784 5.997 74 HA LEU 13 HA LEU 13 4.190 -12.597 4.061 75 1HB LEU 13 1HB LEU 13 3.431 -10.745 2.960 76 2HB LEU 13 2HB LEU 13 3.404 -10.230 4.656 77 HG LEU 13 HG LEU 13 5.703 -9.172 4.148 78 1HD1 LEU 13 1HD1 LEU 13 5.549 -8.429 1.572 79 2HD1 LEU 13 2HD1 LEU 13 6.485 -9.836 2.133 80 3HD1 LEU 13 3HD1 LEU 13 4.859 -10.064 1.447 81 1HD2 LEU 13 1HD2 LEU 13 4.603 -7.139 3.164 82 2HD2 LEU 13 2HD2 LEU 13 3.111 -8.100 3.018 83 3HD2 LEU 13 3HD2 LEU 13 3.820 -7.796 4.623 84 H SER 14 H SER 14 4.965 -12.101 1.632 85 HA SER 14 HA SER 14 7.880 -12.146 1.693 86 1HB SER 14 1HB SER 14 6.701 -14.433 1.406 87 2HB SER 14 2HB SER 14 6.244 -13.859 -0.210 88 HG SER 14 HG SER 14 8.183 -14.968 -0.459 89 H ASP 15 H ASP 15 8.904 -11.415 -0.352 90 HA ASP 15 HA ASP 15 7.573 -9.210 -1.396 91 1HB ASP 15 1HB ASP 15 9.903 -10.660 -2.700 92 2HB ASP 15 2HB ASP 15 9.528 -8.932 -2.795 93 HD2 ASP 15 HD2 ASP 15 10.621 -8.899 0.755 94 H GLY 16 H GLY 16 5.643 -10.999 -1.877 95 1HA GLY 16 1HA GLY 16 5.023 -10.952 -4.520 96 2HA GLY 16 2HA GLY 16 5.950 -12.430 -4.357 97 H THR 17 H THR 17 3.969 -11.058 -1.706 98 HA THR 17 HA THR 17 2.377 -13.501 -1.743 99 HB THR 17 HB THR 17 2.871 -11.248 0.262 100 HG1 THR 17 1HG THR 17 3.579 -13.393 1.350 101 1HG2 THR 17 1HG2 THR 17 1.111 -13.742 0.539 102 2HG2 THR 17 2HG2 THR 17 1.553 -12.637 1.861 103 3HG2 THR 17 3HG2 THR 17 0.515 -12.065 0.533 104 H VAL 18 H VAL 18 0.755 -13.449 -3.203 105 HA VAL 18 HA VAL 18 -0.730 -10.960 -3.478 106 HB VAL 18 HB VAL 18 -0.139 -11.863 -5.542 107 1HG1 VAL 18 1HG1 VAL 18 0.681 -14.003 -5.150 108 2HG1 VAL 18 2HG1 VAL 18 -0.794 -14.529 -4.305 109 3HG1 VAL 18 3HG1 VAL 18 -0.803 -14.333 -6.073 110 1HG2 VAL 18 1HG2 VAL 18 -2.665 -13.209 -5.842 111 2HG2 VAL 18 2HG2 VAL 18 -2.867 -11.797 -4.777 112 3HG2 VAL 18 3HG2 VAL 18 -2.177 -11.593 -6.404 113 H VAL 19 H VAL 19 -2.691 -10.619 -2.543 114 HA VAL 19 HA VAL 19 -4.326 -12.888 -1.830 115 HB VAL 19 HB VAL 19 -4.502 -12.248 0.520 116 1HG1 VAL 19 1HG1 VAL 19 -2.425 -13.204 1.284 117 2HG1 VAL 19 2HG1 VAL 19 -2.878 -13.996 -0.246 118 3HG1 VAL 19 3HG1 VAL 19 -1.604 -12.753 -0.229 119 1HG2 VAL 19 1HG2 VAL 19 -3.235 -9.873 -0.308 120 2HG2 VAL 19 2HG2 VAL 19 -3.719 -10.327 1.343 121 3HG2 VAL 19 3HG2 VAL 19 -2.076 -10.690 0.767 122 H LYS 20 H LYS 20 -6.055 -11.366 -0.071 123 HA LYS 20 HA LYS 20 -7.013 -9.371 -2.004 124 1HB LYS 20 1HB LYS 20 -9.256 -9.921 -1.353 125 2HB LYS 20 2HB LYS 20 -8.421 -11.407 -1.842 126 1HG LYS 20 1HG LYS 20 -8.271 -12.193 0.364 127 2HG LYS 20 2HG LYS 20 -8.444 -10.577 1.072 128 1HD LYS 20 1HD LYS 20 -10.827 -10.580 0.115 129 2HD LYS 20 2HD LYS 20 -10.598 -12.306 -0.217 130 1HE LYS 20 1HE LYS 20 -9.874 -11.415 2.531 131 2HE LYS 20 2HE LYS 20 -11.597 -11.304 2.138 132 1HZ LYS 20 1HZ LYS 20 -10.168 -13.732 1.450 133 2HZ LYS 20 2HZ LYS 20 -10.550 -13.488 3.017 134 3HZ LYS 20 3HZ LYS 20 -11.729 -13.537 1.889 135 H VAL 21 H VAL 21 -7.627 -7.335 -1.245 136 HA VAL 21 HA VAL 21 -6.923 -6.866 1.570 137 HB VAL 21 HB VAL 21 -6.961 -4.769 -0.581 138 1HG1 VAL 21 1HG1 VAL 21 -5.104 -4.944 1.787 139 2HG1 VAL 21 2HG1 VAL 21 -5.631 -3.512 0.870 140 3HG1 VAL 21 3HG1 VAL 21 -6.765 -4.332 1.970 141 1HG2 VAL 21 1HG2 VAL 21 -5.432 -6.049 -1.681 142 2HG2 VAL 21 2HG2 VAL 21 -4.332 -5.334 -0.477 143 3HG2 VAL 21 3HG2 VAL 21 -4.988 -6.971 -0.224 144 H ALA 22 H ALA 22 -8.764 -6.827 2.765 145 HA ALA 22 HA ALA 22 -11.203 -5.860 1.535 146 1HB ALA 22 1HB ALA 22 -11.311 -7.902 2.844 147 2HB ALA 22 2HB ALA 22 -10.558 -7.094 4.241 148 3HB ALA 22 3HB ALA 22 -12.191 -6.622 3.713 149 H GLY 23 H GLY 23 -12.050 -3.843 1.830 150 1HA GLY 23 1HA GLY 23 -10.611 -2.081 3.713 151 2HA GLY 23 2HA GLY 23 -11.438 -1.575 2.253 152 H ALA 24 H ALA 24 -11.743 -2.297 5.661 153 HA ALA 24 HA ALA 24 -14.652 -2.176 5.533 154 1HB ALA 24 1HB ALA 24 -14.204 -2.481 8.123 155 2HB ALA 24 2HB ALA 24 -14.017 -3.857 7.010 156 3HB ALA 24 3HB ALA 24 -12.581 -2.968 7.572 157 H GLY 25 H GLY 25 -15.401 -0.115 5.252 158 1HA GLY 25 1HA GLY 25 -15.983 1.943 6.084 159 2HA GLY 25 2HA GLY 25 -14.714 1.840 7.287 160 H LEU 26 H LEU 26 -14.193 1.203 3.799 161 HA LEU 26 HA LEU 26 -12.161 3.234 3.771 162 1HB LEU 26 1HB LEU 26 -12.377 0.823 2.631 163 2HB LEU 26 2HB LEU 26 -12.953 1.826 1.289 164 HG LEU 26 HG LEU 26 -10.670 1.560 0.891 165 1HD1 LEU 26 1HD1 LEU 26 -10.970 3.794 0.465 166 2HD1 LEU 26 2HD1 LEU 26 -11.323 4.191 2.162 167 3HD1 LEU 26 3HD1 LEU 26 -9.648 3.861 1.656 168 1HD2 LEU 26 1HD2 LEU 26 -8.952 1.427 2.434 169 2HD2 LEU 26 2HD2 LEU 26 -9.834 2.365 3.663 170 3HD2 LEU 26 3HD2 LEU 26 -10.312 0.686 3.313 171 H GLN 27 H GLN 27 -12.876 3.585 0.739 172 HA GLN 27 HA GLN 27 -14.287 6.002 1.195 173 1HB GLN 27 1HB GLN 27 -13.051 4.626 -1.183 174 2HB GLN 27 2HB GLN 27 -14.148 5.989 -1.455 175 1HG GLN 27 1HG GLN 27 -11.682 6.034 0.337 176 2HG GLN 27 2HG GLN 27 -11.745 6.689 -1.307 177 1HE2 GLN 27 1HE2 GLN 27 -12.423 8.691 -1.616 178 2HE2 GLN 27 2HE2 GLN 27 -13.134 9.733 -0.428 179 H ALA 28 H ALA 28 -16.261 4.915 2.137 180 HA ALA 28 HA ALA 28 -17.873 3.213 0.643 181 1HB ALA 28 1HB ALA 28 -19.476 3.600 2.328 182 2HB ALA 28 2HB ALA 28 -17.926 3.898 3.151 183 3HB ALA 28 3HB ALA 28 -18.921 5.269 2.604 184 H GLY 29 H GLY 29 -17.912 3.947 -1.552 185 1HA GLY 29 1HA GLY 29 -19.666 4.891 -2.937 186 2HA GLY 29 2HA GLY 29 -19.613 6.336 -1.945 187 H THR 30 H THR 30 -16.608 6.251 -1.681 188 HA THR 30 HA THR 30 -16.048 7.467 -4.276 189 HB THR 30 HB THR 30 -13.930 7.670 -2.283 190 HG1 THR 30 1HG THR 30 -15.445 8.742 -0.706 191 1HG2 THR 30 1HG2 THR 30 -16.031 9.745 -3.084 192 2HG2 THR 30 2HG2 THR 30 -14.406 10.057 -2.429 193 3HG2 THR 30 3HG2 THR 30 -14.592 9.393 -4.070 194 H ALA 31 H ALA 31 -13.325 7.222 -4.490 195 HA ALA 31 HA ALA 31 -12.681 4.408 -4.322 196 1HB ALA 31 1HB ALA 31 -12.759 3.908 -6.548 197 2HB ALA 31 2HB ALA 31 -13.997 5.188 -6.567 198 3HB ALA 31 3HB ALA 31 -12.323 5.560 -7.043 199 H TYR 32 H TYR 32 -10.443 4.067 -4.243 200 HA TYR 32 HA TYR 32 -8.820 6.508 -4.516 201 1HB TYR 32 1HB TYR 32 -8.977 4.224 -2.486 202 2HB TYR 32 2HB TYR 32 -7.476 5.140 -2.650 203 HD1 TYR 32 1HD TYR 32 -9.684 7.591 -3.368 204 HD2 TYR 32 2HD TYR 32 -8.636 5.102 -0.048 205 HE1 TYR 32 1HE TYR 32 -10.594 9.337 -1.760 206 HE2 TYR 32 2HE TYR 32 -9.549 6.858 1.547 207 HH TYR 32 HH TYR 32 -10.833 9.928 0.306 208 H ASP 33 H ASP 33 -6.304 5.415 -4.155 209 HA ASP 33 HA ASP 33 -6.207 3.447 -6.305 210 1HB ASP 33 1HB ASP 33 -5.369 5.901 -6.714 211 2HB ASP 33 2HB ASP 33 -3.976 5.423 -5.731 212 HD2 ASP 33 HD2 ASP 33 -3.755 4.701 -9.450 213 H VAL 34 H VAL 34 -5.318 1.519 -5.545 214 HA VAL 34 HA VAL 34 -4.140 1.406 -2.967 215 HB VAL 34 HB VAL 34 -4.790 -0.485 -5.182 216 1HG1 VAL 34 1HG1 VAL 34 -2.573 -0.846 -3.266 217 2HG1 VAL 34 2HG1 VAL 34 -3.738 -2.190 -3.321 218 3HG1 VAL 34 3HG1 VAL 34 -2.908 -1.671 -4.806 219 1HG2 VAL 34 1HG2 VAL 34 -5.746 -1.677 -3.038 220 2HG2 VAL 34 2HG2 VAL 34 -5.554 -0.065 -2.308 221 3HG2 VAL 34 3HG2 VAL 34 -6.586 -0.275 -3.742 222 H GLY 35 H GLY 35 -2.021 1.526 -2.365 223 1HA GLY 35 1HA GLY 35 0.124 0.841 -4.098 224 2HA GLY 35 2HA GLY 35 -0.088 2.581 -4.041 225 H GLN 36 H GLN 36 1.435 -0.055 -2.568 226 HA GLN 36 HA GLN 36 1.281 0.500 0.105 227 1HB GLN 36 1HB GLN 36 3.742 -0.475 -1.393 228 2HB GLN 36 2HB GLN 36 3.364 -0.767 0.315 229 1HG GLN 36 1HG GLN 36 1.813 -2.393 -0.179 230 2HG GLN 36 2HG GLN 36 1.284 -1.602 -1.672 231 1HE2 GLN 36 1HE2 GLN 36 3.317 -1.367 -3.244 232 2HE2 GLN 36 2HE2 GLN 36 4.120 -2.862 -3.596 233 H CYS 37 H CYS 37 1.265 2.765 0.524 234 HA CYS 37 HA CYS 37 3.680 4.204 -0.236 235 1HB CYS 37 1HB CYS 37 1.114 4.961 -0.435 236 2HB CYS 37 2HB CYS 37 1.466 5.585 1.180 237 H ALA 38 H ALA 38 4.975 5.270 1.407 238 HA ALA 38 HA ALA 38 4.493 5.492 4.051 239 1HB ALA 38 1HB ALA 38 6.000 3.265 4.622 240 2HB ALA 38 2HB ALA 38 4.226 3.348 4.750 241 3HB ALA 38 3HB ALA 38 4.983 2.673 3.286 242 H TRP 39 H TRP 39 6.692 5.484 5.366 243 HA TRP 39 HA TRP 39 8.496 7.034 3.833 244 1HB TRP 39 1HB TRP 39 9.882 6.793 5.989 245 2HB TRP 39 2HB TRP 39 8.372 7.706 6.021 246 HD1 TRP 39 HD TRP 39 9.838 4.331 7.227 247 HE1 TRP 39 1HE TRP 39 8.381 3.308 9.176 248 HE3 TRP 39 3HE TRP 39 6.099 7.765 6.942 249 HZ2 TRP 39 2HZ TRP 39 5.885 4.035 10.353 250 HZ3 TRP 39 3HZ TRP 39 4.190 7.536 8.527 251 HH2 TRP 39 HH TRP 39 4.044 5.751 10.190 252 H VAL 40 H VAL 40 9.136 5.637 2.068 253 HA VAL 40 HA VAL 40 10.448 3.155 2.760 254 HB VAL 40 HB VAL 40 8.939 4.013 0.644 255 1HG1 VAL 40 1HG1 VAL 40 11.848 4.034 -0.226 256 2HG1 VAL 40 2HG1 VAL 40 10.457 3.953 -1.334 257 3HG1 VAL 40 3HG1 VAL 40 10.694 5.385 -0.303 258 1HG2 VAL 40 1HG2 VAL 40 8.900 1.783 0.544 259 2HG2 VAL 40 2HG2 VAL 40 10.437 1.852 -0.351 260 3HG2 VAL 40 3HG2 VAL 40 10.446 1.661 1.419 261 H ASP 41 H ASP 41 11.259 6.352 1.257 262 HA ASP 41 HA ASP 41 14.041 5.645 1.404 263 1HB ASP 41 1HB ASP 41 13.608 6.813 -0.568 264 2HB ASP 41 2HB ASP 41 12.411 7.874 0.192 265 HD2 ASP 41 HD2 ASP 41 16.242 8.876 0.670 266 H THR 42 H THR 42 15.519 7.620 2.250 267 HA THR 42 HA THR 42 15.417 7.889 4.887 268 HB THR 42 HB THR 42 16.184 9.995 2.799 269 HG1 THR 42 1HG THR 42 17.568 7.956 4.398 270 1HG2 THR 42 1HG2 THR 42 16.612 11.332 4.624 271 2HG2 THR 42 2HG2 THR 42 16.358 9.991 5.766 272 3HG2 THR 42 3HG2 THR 42 17.934 10.187 4.962 273 H GLY 43 H GLY 43 13.442 7.960 5.918 274 1HA GLY 43 1HA GLY 43 11.490 8.835 6.644 275 2HA GLY 43 2HA GLY 43 12.409 10.322 6.736 276 H VAL 44 H VAL 44 11.919 8.741 3.596 277 HA VAL 44 HA VAL 44 10.181 10.981 2.858 278 HB VAL 44 HB VAL 44 12.237 9.335 1.454 279 1HG1 VAL 44 1HG1 VAL 44 11.138 10.619 -0.665 280 2HG1 VAL 44 2HG1 VAL 44 10.776 8.930 -0.232 281 3HG1 VAL 44 3HG1 VAL 44 9.670 10.233 0.265 282 1HG2 VAL 44 1HG2 VAL 44 12.106 11.979 0.478 283 2HG2 VAL 44 2HG2 VAL 44 11.842 12.089 2.234 284 3HG2 VAL 44 3HG2 VAL 44 13.301 11.289 1.602 285 H LEU 45 H LEU 45 8.051 10.587 2.569 286 HA LEU 45 HA LEU 45 7.107 7.900 2.737 287 1HB LEU 45 1HB LEU 45 6.136 10.260 3.507 288 2HB LEU 45 2HB LEU 45 5.301 10.115 1.950 289 HG LEU 45 HG LEU 45 5.233 7.932 4.034 290 1HD1 LEU 45 1HD1 LEU 45 4.303 10.444 4.568 291 2HD1 LEU 45 2HD1 LEU 45 2.865 9.673 3.860 292 3HD1 LEU 45 3HD1 LEU 45 3.661 8.943 5.274 293 1HD2 LEU 45 1HD2 LEU 45 3.678 8.566 1.536 294 2HD2 LEU 45 2HD2 LEU 45 4.497 7.059 2.008 295 3HD2 LEU 45 3HD2 LEU 45 2.988 7.541 2.819 296 H ALA 46 H ALA 46 7.999 6.794 0.934 297 HA ALA 46 HA ALA 46 7.223 7.818 -1.688 298 1HB ALA 46 1HB ALA 46 8.887 5.350 -1.220 299 2HB ALA 46 2HB ALA 46 8.971 6.539 -2.542 300 3HB ALA 46 3HB ALA 46 9.603 6.954 -0.929 301 H CYS 47 H CYS 47 5.974 6.554 -3.162 302 HA CYS 47 HA CYS 47 4.330 4.581 -1.776 303 1HB CYS 47 1HB CYS 47 3.792 6.068 -4.349 304 2HB CYS 47 2HB CYS 47 2.684 4.959 -3.535 305 H ASN 48 H ASN 48 3.778 2.570 -2.995 306 HA ASN 48 HA ASN 48 6.083 1.719 -4.491 307 1HB ASN 48 1HB ASN 48 3.797 0.402 -3.048 308 2HB ASN 48 2HB ASN 48 4.519 -0.509 -4.382 309 1HD2 ASN 48 1HD2 ASN 48 5.055 1.039 -1.283 310 2HD2 ASN 48 2HD2 ASN 48 6.512 0.212 -0.846 311 HA PRO 49 HA PRO 49 3.551 2.376 -8.094 312 1HB PRO 49 1HB PRO 49 5.554 2.185 -9.940 313 2HB PRO 49 2HB PRO 49 5.130 3.692 -9.130 314 1HG PRO 49 1HG PRO 49 7.397 1.860 -8.665 315 2HG PRO 49 2HG PRO 49 7.235 3.591 -8.191 316 1HD PRO 49 1HD PRO 49 7.023 1.264 -6.536 317 2HD PRO 49 2HD PRO 49 6.697 2.934 -6.056 318 H ALA 50 H ALA 50 4.629 -0.313 -6.798 319 HA ALA 50 HA ALA 50 4.003 -1.918 -9.173 320 1HB ALA 50 1HB ALA 50 5.928 -2.914 -8.526 321 2HB ALA 50 2HB ALA 50 5.887 -2.151 -6.919 322 3HB ALA 50 3HB ALA 50 4.956 -3.637 -7.224 323 H ASP 51 H ASP 51 2.566 -0.529 -6.482 324 HA ASP 51 HA ASP 51 0.788 -2.817 -6.172 325 1HB ASP 51 1HB ASP 51 1.771 -2.216 -4.057 326 2HB ASP 51 2HB ASP 51 1.478 -0.493 -4.328 327 HD2 ASP 51 HD2 ASP 51 -1.841 -2.524 -3.536 328 H PHE 52 H PHE 52 1.136 -0.024 -7.895 329 HA PHE 52 HA PHE 52 -1.106 1.508 -7.373 330 1HB PHE 52 1HB PHE 52 0.815 0.916 -9.608 331 2HB PHE 52 2HB PHE 52 -0.697 1.673 -10.123 332 HD1 PHE 52 1HD PHE 52 -1.173 3.457 -7.773 333 HD2 PHE 52 2HD PHE 52 2.375 2.615 -9.944 334 HE1 PHE 52 1HE PHE 52 -0.249 5.701 -7.133 335 HE2 PHE 52 2HE PHE 52 3.298 4.860 -9.305 336 HZ PHE 52 HZ PHE 52 1.975 6.375 -7.907 337 H SER 53 H SER 53 -3.175 0.741 -7.245 338 HA SER 53 HA SER 53 -4.218 -0.507 -9.597 339 1HB SER 53 1HB SER 53 -3.429 -2.463 -8.348 340 2HB SER 53 2HB SER 53 -4.298 -1.928 -6.898 341 HG SER 53 HG SER 53 -5.249 -3.171 -9.257 342 H SER 54 H SER 54 -5.669 1.215 -9.862 343 HA SER 54 HA SER 54 -6.930 2.499 -7.777 344 1HB SER 54 1HB SER 54 -8.583 3.194 -9.630 345 2HB SER 54 2HB SER 54 -6.878 3.617 -9.869 346 HG SER 54 HG SER 54 -7.752 1.109 -10.880 347 H VAL 55 H VAL 55 -8.816 2.098 -6.609 348 HA VAL 55 HA VAL 55 -10.646 0.077 -7.593 349 HB VAL 55 HB VAL 55 -8.731 -0.941 -6.167 350 1HG1 VAL 55 1HG1 VAL 55 -9.207 -0.939 -3.734 351 2HG1 VAL 55 2HG1 VAL 55 -8.760 0.673 -4.346 352 3HG1 VAL 55 3HG1 VAL 55 -10.465 0.291 -4.001 353 1HG2 VAL 55 1HG2 VAL 55 -11.216 -1.855 -4.921 354 2HG2 VAL 55 2HG2 VAL 55 -11.357 -1.664 -6.686 355 3HG2 VAL 55 3HG2 VAL 55 -10.092 -2.713 -6.001 356 H THR 56 H THR 56 -12.685 0.054 -6.250 357 HA THR 56 HA THR 56 -13.049 2.656 -4.916 358 HB THR 56 HB THR 56 -14.054 2.083 -7.370 359 HG1 THR 56 1HG THR 56 -15.635 3.693 -6.689 360 1HG2 THR 56 1HG2 THR 56 -16.396 1.368 -7.164 361 2HG2 THR 56 2HG2 THR 56 -15.367 0.088 -6.478 362 3HG2 THR 56 3HG2 THR 56 -16.230 1.211 -5.399 363 H ALA 57 H ALA 57 -14.805 2.711 -3.308 364 HA ALA 57 HA ALA 57 -14.933 0.112 -1.954 365 1HB ALA 57 1HB ALA 57 -14.273 2.775 -1.110 366 2HB ALA 57 2HB ALA 57 -15.770 2.280 -0.282 367 3HB ALA 57 3HB ALA 57 -14.304 1.278 -0.145 368 H ASP 58 H ASP 58 -16.915 -0.805 -1.432 369 HA ASP 58 HA ASP 58 -19.082 0.008 -2.972 370 1HB ASP 58 1HB ASP 58 -19.339 -1.688 -0.479 371 2HB ASP 58 2HB ASP 58 -20.232 -1.837 -1.999 372 HD2 ASP 58 HD2 ASP 58 -17.883 -4.526 -1.973 373 H ALA 59 H ALA 59 -21.269 0.701 -2.090 374 HA ALA 59 HA ALA 59 -21.257 2.970 -0.665 375 1HB ALA 59 1HB ALA 59 -23.675 2.224 -0.016 376 2HB ALA 59 2HB ALA 59 -23.258 2.381 -1.739 377 3HB ALA 59 3HB ALA 59 -23.308 0.773 -0.980 378 H ASN 60 H ASN 60 -21.105 -0.364 0.602 379 HA ASN 60 HA ASN 60 -21.434 0.574 3.286 380 1HB ASN 60 1HB ASN 60 -21.849 -1.856 1.985 381 2HB ASN 60 2HB ASN 60 -20.369 -2.172 2.901 382 1HD2 ASN 60 1HD2 ASN 60 -21.391 -3.604 4.268 383 2HD2 ASN 60 2HD2 ASN 60 -22.490 -3.118 5.513 384 H GLY 61 H GLY 61 -19.208 1.756 1.832 385 1HA GLY 61 1HA GLY 61 -16.949 1.974 1.805 386 2HA GLY 61 2HA GLY 61 -17.147 1.791 3.537 387 H SER 62 H SER 62 -17.678 -0.682 0.946 388 HA SER 62 HA SER 62 -15.729 -2.317 2.347 389 1HB SER 62 1HB SER 62 -17.548 -3.362 0.181 390 2HB SER 62 2HB SER 62 -16.895 -4.211 1.594 391 HG SER 62 HG SER 62 -19.143 -2.466 1.371 392 H ALA 63 H ALA 63 -13.705 -1.902 1.468 393 HA ALA 63 HA ALA 63 -13.542 -1.783 -1.458 394 1HB ALA 63 1HB ALA 63 -12.201 -0.408 0.785 395 2HB ALA 63 2HB ALA 63 -11.084 -1.005 -0.467 396 3HB ALA 63 3HB ALA 63 -12.410 0.100 -0.908 397 H SER 64 H SER 64 -13.804 -4.161 -1.551 398 HA SER 64 HA SER 64 -11.643 -5.645 -0.366 399 1HB SER 64 1HB SER 64 -12.863 -7.622 -1.352 400 2HB SER 64 2HB SER 64 -13.832 -6.665 -0.218 401 HG SER 64 HG SER 64 -15.040 -5.848 -1.897 402 H THR 65 H THR 65 -9.930 -4.586 -1.684 403 HA THR 65 HA THR 65 -9.948 -5.493 -4.485 404 HB THR 65 HB THR 65 -9.869 -2.987 -3.966 405 HG1 THR 65 1HG THR 65 -8.840 -4.254 -5.837 406 1HG2 THR 65 1HG2 THR 65 -8.362 -3.094 -1.954 407 2HG2 THR 65 2HG2 THR 65 -7.068 -3.754 -2.985 408 3HG2 THR 65 3HG2 THR 65 -7.661 -2.094 -3.250 409 H SER 66 H SER 66 -8.524 -6.980 -5.166 410 HA SER 66 HA SER 66 -6.639 -7.885 -3.163 411 1HB SER 66 1HB SER 66 -6.605 -9.964 -4.291 412 2HB SER 66 2HB SER 66 -8.301 -9.450 -4.363 413 HG SER 66 HG SER 66 -6.641 -10.078 -6.403 414 H LEU 67 H LEU 67 -4.367 -8.204 -3.691 415 HA LEU 67 HA LEU 67 -3.406 -7.374 -6.252 416 1HB LEU 67 1HB LEU 67 -3.819 -5.381 -4.335 417 2HB LEU 67 2HB LEU 67 -2.073 -5.687 -4.333 418 HG LEU 67 HG LEU 67 -2.770 -3.852 -5.840 419 1HD1 LEU 67 1HD1 LEU 67 -1.397 -4.475 -7.704 420 2HD1 LEU 67 2HD1 LEU 67 -0.715 -5.211 -6.233 421 3HD1 LEU 67 3HD1 LEU 67 -1.649 -6.207 -7.377 422 1HD2 LEU 67 1HD2 LEU 67 -4.970 -4.734 -6.482 423 2HD2 LEU 67 2HD2 LEU 67 -3.981 -4.312 -7.899 424 3HD2 LEU 67 3HD2 LEU 67 -4.177 -6.018 -7.427 425 H THR 68 H THR 68 -0.770 -7.122 -5.879 426 HA THR 68 HA THR 68 -0.087 -9.569 -4.395 427 HB THR 68 HB THR 68 0.198 -9.403 -6.964 428 HG1 THR 68 1HG THR 68 2.436 -9.731 -5.093 429 1HG2 THR 68 1HG2 THR 68 2.392 -8.326 -7.624 430 2HG2 THR 68 2HG2 THR 68 1.160 -7.131 -7.145 431 3HG2 THR 68 3HG2 THR 68 2.462 -7.572 -6.013 432 H VAL 69 H VAL 69 1.230 -9.501 -2.672 433 HA VAL 69 HA VAL 69 2.195 -6.882 -1.901 434 HB VAL 69 HB VAL 69 2.184 -9.547 -0.471 435 1HG1 VAL 69 1HG1 VAL 69 2.293 -7.253 1.269 436 2HG1 VAL 69 2HG1 VAL 69 3.422 -8.623 1.137 437 3HG1 VAL 69 3HG1 VAL 69 3.638 -7.188 0.106 438 1HG2 VAL 69 1HG2 VAL 69 0.433 -7.333 0.439 439 2HG2 VAL 69 2HG2 VAL 69 -0.012 -8.083 -1.114 440 3HG2 VAL 69 3HG2 VAL 69 0.124 -9.084 0.352 441 H ARG 70 H ARG 70 3.897 -6.512 -3.403 442 HA ARG 70 HA ARG 70 6.061 -8.441 -3.195 443 1HB ARG 70 1HB ARG 70 5.347 -6.357 -5.296 444 2HB ARG 70 2HB ARG 70 6.932 -7.151 -5.278 445 1HG ARG 70 1HG ARG 70 4.727 -9.068 -5.023 446 2HG ARG 70 2HG ARG 70 4.586 -8.104 -6.502 447 1HD ARG 70 1HD ARG 70 6.925 -8.704 -7.098 448 2HD ARG 70 2HD ARG 70 7.060 -9.672 -5.621 449 HE ARG 70 HE ARG 70 5.704 -11.333 -6.610 450 1HH1 ARG 70 1HH1 ARG 70 5.729 -8.435 -8.606 451 2HH1 ARG 70 2HH1 ARG 70 4.970 -9.206 -9.959 452 1HH2 ARG 70 1HH2 ARG 70 4.702 -12.350 -8.394 453 2HH2 ARG 70 2HH2 ARG 70 4.381 -11.448 -9.837 454 H ARG 71 H ARG 71 6.713 -7.518 -1.076 455 HA ARG 71 HA ARG 71 7.150 -4.935 -0.528 456 1HB ARG 71 1HB ARG 71 7.824 -7.422 0.606 457 2HB ARG 71 2HB ARG 71 9.378 -6.579 0.473 458 1HG ARG 71 1HG ARG 71 8.742 -5.679 2.475 459 2HG ARG 71 2HG ARG 71 7.812 -4.563 1.460 460 1HD ARG 71 1HD ARG 71 6.719 -7.193 2.548 461 2HD ARG 71 2HD ARG 71 6.496 -5.636 3.360 462 HE ARG 71 HE ARG 71 5.335 -6.439 0.731 463 1HH1 ARG 71 1HH1 ARG 71 5.567 -4.107 3.356 464 2HH1 ARG 71 2HH1 ARG 71 4.173 -3.210 2.853 465 1HH2 ARG 71 1HH2 ARG 71 3.494 -5.257 0.068 466 2HH2 ARG 71 2HH2 ARG 71 2.986 -3.869 0.972 467 H SER 72 H SER 72 8.927 -7.006 -2.749 468 HA SER 72 HA SER 72 11.162 -5.187 -2.813 469 1HB SER 72 1HB SER 72 12.297 -6.824 -4.060 470 2HB SER 72 2HB SER 72 11.302 -7.780 -2.947 471 HG SER 72 HG SER 72 9.687 -7.751 -4.824 472 H PHE 73 H PHE 73 10.977 -3.366 -4.064 473 HA PHE 73 HA PHE 73 10.441 -3.482 -6.781 474 1HB PHE 73 1HB PHE 73 8.145 -3.255 -4.912 475 2HB PHE 73 2HB PHE 73 8.205 -1.894 -6.036 476 HD1 PHE 73 1HD PHE 73 6.663 -4.870 -5.548 477 HD2 PHE 73 2HD PHE 73 8.899 -2.880 -8.555 478 HE1 PHE 73 1HE PHE 73 5.570 -6.295 -7.302 479 HE2 PHE 73 2HE PHE 73 7.807 -4.305 -10.312 480 HZ PHE 73 HZ PHE 73 6.155 -5.995 -9.663 481 H GLU 74 H GLU 74 10.313 -1.247 -7.767 482 HA GLU 74 HA GLU 74 11.975 0.472 -6.204 483 1HB GLU 74 1HB GLU 74 12.487 0.135 -8.558 484 2HB GLU 74 2HB GLU 74 10.880 0.704 -9.040 485 1HG GLU 74 1HG GLU 74 11.742 2.821 -7.533 486 2HG GLU 74 2HG GLU 74 13.287 2.247 -8.177 487 HE2 GLU 74 HE2 GLU 74 10.701 3.018 -11.087 488 H GLY 75 H GLY 75 11.136 1.917 -4.771 489 1HA GLY 75 1HA GLY 75 8.355 2.713 -4.990 490 2HA GLY 75 2HA GLY 75 9.477 3.070 -3.690 491 H PHE 76 H PHE 76 7.768 5.064 -4.720 492 HA PHE 76 HA PHE 76 9.682 6.743 -6.183 493 1HB PHE 76 1HB PHE 76 6.734 6.163 -6.365 494 2HB PHE 76 2HB PHE 76 7.172 7.861 -6.569 495 HD1 PHE 76 1HD PHE 76 6.669 8.157 -8.849 496 HD2 PHE 76 2HD PHE 76 9.148 4.921 -7.664 497 HE1 PHE 76 1HE PHE 76 7.230 7.705 -11.253 498 HE2 PHE 76 2HE PHE 76 9.708 4.471 -10.067 499 HZ PHE 76 HZ PHE 76 8.744 5.868 -11.834 500 H LEU 77 H LEU 77 10.438 8.456 -5.039 501 HA LEU 77 HA LEU 77 9.889 8.998 -2.466 502 1HB LEU 77 1HB LEU 77 10.595 10.974 -4.628 503 2HB LEU 77 2HB LEU 77 10.774 11.251 -2.886 504 HG LEU 77 HG LEU 77 12.184 9.034 -4.388 505 1HD1 LEU 77 1HD1 LEU 77 12.712 11.881 -4.433 506 2HD1 LEU 77 2HD1 LEU 77 14.072 10.985 -3.716 507 3HD1 LEU 77 3HD1 LEU 77 13.485 10.560 -5.342 508 1HD2 LEU 77 1HD2 LEU 77 13.609 8.891 -2.452 509 2HD2 LEU 77 2HD2 LEU 77 12.800 10.286 -1.699 510 3HD2 LEU 77 3HD2 LEU 77 11.912 8.762 -1.934 511 H PHE 78 H PHE 78 8.738 10.893 -1.431 512 HA PHE 78 HA PHE 78 6.010 10.799 -2.245 513 1HB PHE 78 1HB PHE 78 5.718 11.686 -0.092 514 2HB PHE 78 2HB PHE 78 7.371 11.093 0.108 515 HD1 PHE 78 1HD PHE 78 5.306 14.085 -0.514 516 HD2 PHE 78 2HD PHE 78 9.183 12.616 0.393 517 HE1 PHE 78 1HE PHE 78 6.057 16.413 0.050 518 HE2 PHE 78 2HE PHE 78 9.935 14.945 0.956 519 HZ PHE 78 HZ PHE 78 8.363 16.815 0.775 520 H ASP 79 H ASP 79 8.752 12.990 -2.712 521 HA ASP 79 HA ASP 79 7.282 15.292 -3.209 522 1HB ASP 79 1HB ASP 79 9.759 15.149 -2.801 523 2HB ASP 79 2HB ASP 79 9.960 14.446 -4.413 524 HD2 ASP 79 HD2 ASP 79 8.606 17.975 -5.146 525 H GLY 80 H GLY 80 8.831 12.841 -5.425 526 1HA GLY 80 1HA GLY 80 6.801 12.479 -7.199 527 2HA GLY 80 2HA GLY 80 7.583 13.940 -7.770 528 H THR 81 H THR 81 10.275 13.061 -6.643 529 HA THR 81 HA THR 81 11.178 11.730 -8.978 530 HB THR 81 HB THR 81 12.417 12.523 -6.300 531 HG1 THR 81 1HG THR 81 12.775 13.329 -9.096 532 1HG2 THR 81 1HG2 THR 81 13.689 10.576 -7.315 533 2HG2 THR 81 2HG2 THR 81 13.826 11.511 -8.824 534 3HG2 THR 81 3HG2 THR 81 14.613 12.097 -7.339 535 H ARG 82 H ARG 82 12.360 9.674 -9.064 536 HA ARG 82 HA ARG 82 10.843 7.733 -7.589 537 1HB ARG 82 1HB ARG 82 13.010 7.158 -9.642 538 2HB ARG 82 2HB ARG 82 11.630 6.135 -9.208 539 1HG ARG 82 1HG ARG 82 10.083 7.681 -10.259 540 2HG ARG 82 2HG ARG 82 11.363 8.881 -10.515 541 1HD ARG 82 1HD ARG 82 12.167 6.353 -11.679 542 2HD ARG 82 2HD ARG 82 10.547 6.761 -12.263 543 HE ARG 82 HE ARG 82 13.003 8.037 -13.025 544 1HH1 ARG 82 1HH1 ARG 82 9.666 8.826 -12.228 545 2HH1 ARG 82 2HH1 ARG 82 9.644 10.267 -13.190 546 1HH2 ARG 82 1HH2 ARG 82 12.973 9.937 -14.294 547 2HH2 ARG 82 2HH2 ARG 82 11.538 10.903 -14.372 548 H TRP 83 H TRP 83 11.714 6.334 -6.015 549 HA TRP 83 HA TRP 83 14.463 6.959 -5.214 550 1HB TRP 83 1HB TRP 83 12.827 7.376 -3.519 551 2HB TRP 83 2HB TRP 83 12.135 5.764 -3.705 552 HD1 TRP 83 HD TRP 83 12.972 4.117 -1.867 553 HE1 TRP 83 1HE TRP 83 15.054 3.812 -0.273 554 HE3 TRP 83 3HE TRP 83 15.592 8.086 -3.663 555 HZ2 TRP 83 2HZ TRP 83 17.508 5.231 0.049 556 HZ3 TRP 83 3HZ TRP 83 17.823 8.557 -2.654 557 HH2 TRP 83 HH TRP 83 18.786 7.204 -0.861 558 H GLY 84 H GLY 84 12.581 4.013 -4.432 559 1HA GLY 84 1HA GLY 84 13.066 2.141 -6.170 560 2HA GLY 84 2HA GLY 84 14.719 2.408 -5.650 561 H THR 85 H THR 85 15.251 2.143 -3.308 562 HA THR 85 HA THR 85 15.184 1.030 -1.384 563 HB THR 85 HB THR 85 12.210 1.342 -1.962 564 HG1 THR 85 1HG THR 85 14.013 2.216 0.175 565 1HG2 THR 85 1HG2 THR 85 13.535 0.135 0.526 566 2HG2 THR 85 2HG2 THR 85 11.835 0.657 0.427 567 3HG2 THR 85 3HG2 THR 85 12.407 -0.710 -0.563 568 H VAL 86 H VAL 86 12.732 -0.503 -3.580 569 HA VAL 86 HA VAL 86 12.638 -2.556 -4.405 570 HB VAL 86 HB VAL 86 15.439 -2.875 -3.305 571 1HG1 VAL 86 1HG1 VAL 86 15.526 -4.633 -5.196 572 2HG1 VAL 86 2HG1 VAL 86 14.684 -5.060 -3.686 573 3HG1 VAL 86 3HG1 VAL 86 13.748 -4.590 -5.125 574 1HG2 VAL 86 1HG2 VAL 86 15.994 -2.551 -5.808 575 2HG2 VAL 86 2HG2 VAL 86 14.366 -1.839 -5.930 576 3HG2 VAL 86 3HG2 VAL 86 15.576 -1.113 -4.845 577 H ASP 87 H ASP 87 14.754 -4.040 -2.050 578 HA ASP 87 HA ASP 87 12.688 -5.570 -1.033 579 1HB ASP 87 1HB ASP 87 15.269 -5.944 -1.049 580 2HB ASP 87 2HB ASP 87 15.280 -5.007 0.455 581 HD2 ASP 87 HD2 ASP 87 13.606 -8.625 0.541 582 H CYS 88 H CYS 88 10.996 -4.362 -0.037 583 HA CYS 88 HA CYS 88 11.709 -2.298 1.850 584 1HB CYS 88 1HB CYS 88 9.927 -1.743 0.424 585 2HB CYS 88 2HB CYS 88 9.096 -3.274 0.708 586 H THR 89 H THR 89 12.762 -4.721 2.696 587 HA THR 89 HA THR 89 10.845 -5.992 4.465 588 HB THR 89 HB THR 89 13.819 -6.457 3.891 589 HG1 THR 89 1HG THR 89 11.340 -7.857 3.182 590 1HG2 THR 89 1HG2 THR 89 11.784 -8.366 5.137 591 2HG2 THR 89 2HG2 THR 89 13.542 -8.601 4.979 592 3HG2 THR 89 3HG2 THR 89 12.902 -7.396 6.124 593 H THR 90 H THR 90 13.196 -3.411 4.536 594 HA THR 90 HA THR 90 13.425 -3.563 7.434 595 HB THR 90 HB THR 90 14.667 -1.843 5.233 596 HG1 THR 90 1HG THR 90 15.693 -3.854 5.449 597 1HG2 THR 90 1HG2 THR 90 16.113 -0.887 6.981 598 2HG2 THR 90 2HG2 THR 90 14.420 -0.514 7.384 599 3HG2 THR 90 3HG2 THR 90 15.269 -1.825 8.235 600 H ALA 91 H ALA 91 12.013 -1.448 4.878 601 HA ALA 91 HA ALA 91 10.858 0.231 6.938 602 1HB ALA 91 1HB ALA 91 10.371 0.411 3.954 603 2HB ALA 91 2HB ALA 91 10.352 1.710 5.172 604 3HB ALA 91 3HB ALA 91 11.897 0.978 4.677 605 H ALA 92 H ALA 92 8.632 0.381 7.398 606 HA ALA 92 HA ALA 92 7.143 -1.997 6.644 607 1HB ALA 92 1HB ALA 92 5.814 -1.541 8.531 608 2HB ALA 92 2HB ALA 92 7.436 -1.008 9.035 609 3HB ALA 92 3HB ALA 92 6.227 0.191 8.521 610 H CYS 93 H CYS 93 6.671 -1.551 4.426 611 HA CYS 93 HA CYS 93 5.568 0.906 3.624 612 1HB CYS 93 1HB CYS 93 5.408 -1.805 2.302 613 2HB CYS 93 2HB CYS 93 5.021 -0.261 1.538 614 H GLN 94 H GLN 94 3.413 1.589 3.569 615 HA GLN 94 HA GLN 94 1.553 -0.209 4.873 616 1HB GLN 94 1HB GLN 94 1.506 2.783 4.355 617 2HB GLN 94 2HB GLN 94 0.142 1.907 5.069 618 1HG GLN 94 1HG GLN 94 1.247 1.557 7.065 619 2HG GLN 94 2HG GLN 94 2.843 1.474 6.304 620 1HE2 GLN 94 1HE2 GLN 94 3.101 2.828 8.365 621 2HE2 GLN 94 2HE2 GLN 94 3.022 4.547 8.178 622 H VAL 95 H VAL 95 0.193 -1.394 3.610 623 HA VAL 95 HA VAL 95 -0.204 -0.555 0.866 624 HB VAL 95 HB VAL 95 -1.409 -2.996 2.114 625 1HG1 VAL 95 1HG1 VAL 95 -0.760 -3.942 -0.137 626 2HG1 VAL 95 2HG1 VAL 95 -1.967 -2.637 -0.181 627 3HG1 VAL 95 3HG1 VAL 95 -0.274 -2.297 -0.611 628 1HG2 VAL 95 1HG2 VAL 95 0.664 -3.427 2.988 629 2HG2 VAL 95 2HG2 VAL 95 0.918 -4.045 1.337 630 3HG2 VAL 95 3HG2 VAL 95 1.506 -2.424 1.782 631 H GLY 96 H GLY 96 -1.981 0.514 0.149 632 1HA GLY 96 1HA GLY 96 -4.578 0.104 1.150 633 2HA GLY 96 2HA GLY 96 -3.901 1.523 1.919 634 H LEU 97 H LEU 97 -6.056 2.048 0.402 635 HA LEU 97 HA LEU 97 -5.006 2.896 -2.202 636 1HB LEU 97 1HB LEU 97 -7.422 3.150 -2.774 637 2HB LEU 97 2HB LEU 97 -6.853 1.492 -2.517 638 HG LEU 97 HG LEU 97 -8.271 3.074 -0.369 639 1HD1 LEU 97 1HD1 LEU 97 -9.400 2.191 -2.835 640 2HD1 LEU 97 2HD1 LEU 97 -10.036 1.165 -1.527 641 3HD1 LEU 97 3HD1 LEU 97 -10.208 2.934 -1.433 642 1HD2 LEU 97 1HD2 LEU 97 -7.766 1.302 0.866 643 2HD2 LEU 97 2HD2 LEU 97 -8.820 0.327 -0.185 644 3HD2 LEU 97 3HD2 LEU 97 -7.081 0.450 -0.539 645 H SER 98 H SER 98 -4.727 5.035 -2.633 646 HA SER 98 HA SER 98 -5.583 6.831 -0.513 647 1HB SER 98 1HB SER 98 -3.867 8.381 -1.427 648 2HB SER 98 2HB SER 98 -3.170 6.831 -0.926 649 HG SER 98 HG SER 98 -3.351 8.012 -3.467 650 H ASP 99 H ASP 99 -6.156 9.145 -1.333 651 HA ASP 99 HA ASP 99 -8.116 8.787 -3.380 652 1HB ASP 99 1HB ASP 99 -7.653 11.532 -2.405 653 2HB ASP 99 2HB ASP 99 -9.146 10.580 -2.402 654 HD2 ASP 99 HD2 ASP 99 -6.838 9.929 0.767 655 H ALA 100 H ALA 100 -8.269 10.451 -5.217 656 HA ALA 100 HA ALA 100 -5.610 10.924 -6.283 657 1HB ALA 100 1HB ALA 100 -7.753 9.878 -7.452 658 2HB ALA 100 2HB ALA 100 -8.165 11.587 -7.725 659 3HB ALA 100 3HB ALA 100 -6.640 10.927 -8.362 660 H ALA 101 H ALA 101 -7.188 12.488 -4.014 661 HA ALA 101 HA ALA 101 -6.990 15.129 -5.276 662 1HB ALA 101 1HB ALA 101 -9.153 14.301 -4.145 663 2HB ALA 101 2HB ALA 101 -8.270 14.460 -2.608 664 3HB ALA 101 3HB ALA 101 -8.529 15.890 -3.635 665 H GLY 102 H GLY 102 -6.091 13.189 -2.352 666 1HA GLY 102 1HA GLY 102 -3.729 13.353 -1.729 667 2HA GLY 102 2HA GLY 102 -3.859 15.089 -1.937 668 H ASN 103 H ASN 103 -5.986 12.608 -0.332 669 HA ASN 103 HA ASN 103 -5.893 14.334 2.015 670 1HB ASN 103 1HB ASN 103 -8.014 12.344 1.076 671 2HB ASN 103 2HB ASN 103 -8.091 13.198 2.625 672 1HD2 ASN 103 1HD2 ASN 103 -9.997 13.294 0.517 673 2HD2 ASN 103 2HD2 ASN 103 -10.098 14.918 -0.073 674 H GLY 104 H GLY 104 -5.598 13.265 4.107 675 1HA GLY 104 1HA GLY 104 -3.783 11.400 4.488 676 2HA GLY 104 2HA GLY 104 -5.192 11.508 5.522 677 HA PRO 105 HA PRO 105 -5.737 7.971 2.371 678 1HB PRO 105 1HB PRO 105 -3.439 6.869 1.385 679 2HB PRO 105 2HB PRO 105 -4.409 8.040 0.493 680 1HG PRO 105 1HG PRO 105 -1.862 8.395 1.940 681 2HG PRO 105 2HG PRO 105 -2.579 9.437 0.658 682 1HD PRO 105 1HD PRO 105 -2.464 9.911 3.480 683 2HD PRO 105 2HD PRO 105 -3.319 10.889 2.279 684 H GLU 106 H GLU 106 -5.989 5.751 2.823 685 HA GLU 106 HA GLU 106 -4.864 5.201 5.419 686 1HB GLU 106 1HB GLU 106 -7.276 4.482 3.961 687 2HB GLU 106 2HB GLU 106 -6.496 3.032 4.615 688 1HG GLU 106 1HG GLU 106 -8.104 4.002 6.223 689 2HG GLU 106 2HG GLU 106 -6.457 4.068 6.869 690 HE2 GLU 106 HE2 GLU 106 -7.228 7.388 7.466 691 H GLY 107 H GLY 107 -3.735 3.180 5.909 692 1HA GLY 107 1HA GLY 107 -3.020 1.308 3.923 693 2HA GLY 107 2HA GLY 107 -1.751 2.507 4.067 694 H VAL 108 H VAL 108 -2.107 -0.484 4.915 695 HA VAL 108 HA VAL 108 -1.462 -0.128 7.754 696 HB VAL 108 HB VAL 108 -3.372 -1.637 6.879 697 1HG1 VAL 108 1HG1 VAL 108 -2.694 -3.934 6.317 698 2HG1 VAL 108 2HG1 VAL 108 -2.091 -2.767 5.117 699 3HG1 VAL 108 3HG1 VAL 108 -0.985 -3.439 6.341 700 1HG2 VAL 108 1HG2 VAL 108 -1.934 -1.597 9.180 701 2HG2 VAL 108 2HG2 VAL 108 -3.304 -2.694 8.883 702 3HG2 VAL 108 3HG2 VAL 108 -1.637 -3.269 8.645 703 H ALA 109 H ALA 109 0.646 -0.209 8.320 704 HA ALA 109 HA ALA 109 2.652 -0.688 6.434 705 1HB ALA 109 1HB ALA 109 3.208 -1.028 9.354 706 2HB ALA 109 2HB ALA 109 4.062 -0.052 8.134 707 3HB ALA 109 3HB ALA 109 2.530 0.529 8.830 708 H ILE 110 H ILE 110 2.042 -2.733 5.434 709 HA ILE 110 HA ILE 110 2.130 -5.075 7.124 710 HB ILE 110 HB ILE 110 0.672 -4.487 4.973 711 1HG1 ILE 110 1HG1 ILE 110 1.545 -7.333 5.221 712 2HG1 ILE 110 2HG1 ILE 110 0.793 -6.547 6.622 713 1HG2 ILE 110 1HG2 ILE 110 2.418 -4.303 3.367 714 2HG2 ILE 110 2HG2 ILE 110 3.139 -5.851 3.872 715 3HG2 ILE 110 3HG2 ILE 110 1.564 -5.831 3.042 716 1HD1 ILE 110 1HD1 ILE 110 -0.391 -6.730 3.813 717 2HD1 ILE 110 2HD1 ILE 110 -0.897 -7.692 5.222 718 3HD1 ILE 110 3HD1 ILE 110 -1.160 -5.932 5.206 719 H SER 111 H SER 111 3.617 -6.902 6.625 720 HA SER 111 HA SER 111 5.651 -7.117 5.075 721 1HB SER 111 1HB SER 111 6.684 -5.054 5.202 722 2HB SER 111 2HB SER 111 6.251 -4.808 6.904 723 HG SER 111 HG SER 111 7.941 -6.150 7.541 724 H PHE 112 H PHE 112 5.935 -6.358 8.629 725 HA PHE 112 HA PHE 112 5.656 -9.054 9.398 726 1HB PHE 112 1HB PHE 112 7.906 -9.216 8.377 727 2HB PHE 112 2HB PHE 112 8.436 -7.751 9.209 728 HD1 PHE 112 1HD PHE 112 7.498 -11.294 9.686 729 HD2 PHE 112 2HD PHE 112 9.290 -7.859 11.417 730 HE1 PHE 112 1HE PHE 112 8.370 -12.700 11.573 731 HE2 PHE 112 2HE PHE 112 10.161 -9.265 13.305 732 HZ PHE 112 HZ PHE 112 9.692 -11.669 13.361 733 H ASN 113 H ASN 113 6.180 -9.326 11.800 734 HA ASN 113 HA ASN 113 4.985 -7.327 13.214 735 1HB ASN 113 1HB ASN 113 5.269 -9.667 14.015 736 2HB ASN 113 2HB ASN 113 7.009 -9.405 14.204 737 1HD2 ASN 113 1HD2 ASN 113 6.028 -10.256 16.372 738 2HD2 ASN 113 2HD2 ASN 113 5.692 -9.045 17.564 739 6H NCZ 130 6H NCZ 130 0.542 14.242 1.230 740 6H1 NCZ 130 6H1 NCZ 130 -1.277 12.017 0.749 741 5H1 NCZ 130 5H1 NCZ 130 -1.020 12.704 3.290 742 4H1 NCZ 130 4H1 NCZ 130 1.512 11.817 3.919 743 5H NCZ 130 5H NCZ 130 3.344 12.130 0.798 744 3H1 NCZ 130 3H1 NCZ 130 2.199 10.486 1.996 745 2H1 NCZ 130 2H1 NCZ 130 1.134 11.973 -0.099 746 2H NCZ 130 2H NCZ 130 -0.144 9.448 -3.682 747 8H NCZ 130 8H NCZ 130 -0.989 6.363 -3.974 748 7H NCZ 130 7H NCZ 130 -1.830 4.880 -2.185 749 3H NCZ 130 3H NCZ 130 -1.452 4.831 2.503 750 1H17 NCZ 130 1H17 NCZ 130 0.423 8.001 5.069 751 2H17 NCZ 130 2H17 NCZ 130 1.180 8.479 3.529 752 3H17 NCZ 130 3H17 NCZ 130 -0.538 8.831 3.821 753 1H18 NCZ 130 1H18 NCZ 130 -1.950 3.617 -0.869 754 2H18 NCZ 130 2H18 NCZ 130 -1.969 3.238 0.868 755 3H18 NCZ 130 3H18 NCZ 130 -3.255 4.247 0.165 756 1H NCZ 130 1H NCZ 130 0.635 8.340 1.358 Start of MODEL 22 1 H ALA 1 H ALA 1 -13.602 1.087 13.598 2 HA ALA 1 HA ALA 1 -14.216 -1.367 14.895 3 1HB ALA 1 1HB ALA 1 -16.350 0.207 15.003 4 2HB ALA 1 2HB ALA 1 -16.529 -0.286 13.302 5 3HB ALA 1 3HB ALA 1 -16.510 -1.517 14.588 6 H ALA 2 H ALA 2 -14.424 0.716 11.954 7 HA ALA 2 HA ALA 2 -14.028 -1.603 10.263 8 1HB ALA 2 1HB ALA 2 -13.853 0.841 8.811 9 2HB ALA 2 2HB ALA 2 -15.214 -0.304 8.870 10 3HB ALA 2 3HB ALA 2 -15.136 1.048 10.025 11 HA PRO 3 HA PRO 3 -9.702 -0.927 10.572 12 1HB PRO 3 1HB PRO 3 -8.936 -3.252 9.358 13 2HB PRO 3 2HB PRO 3 -9.280 -3.133 11.082 14 1HG PRO 3 1HG PRO 3 -10.907 -4.265 8.897 15 2HG PRO 3 2HG PRO 3 -11.033 -4.573 10.667 16 1HD PRO 3 1HD PRO 3 -12.729 -2.962 9.014 17 2HD PRO 3 2HD PRO 3 -12.800 -3.105 10.774 18 H THR 4 H THR 4 -11.706 -0.772 7.988 19 HA THR 4 HA THR 4 -11.485 0.046 5.933 20 HB THR 4 HB THR 4 -10.083 1.917 5.770 21 HG1 THR 4 1HG THR 4 -7.858 1.706 6.472 22 1HG2 THR 4 1HG2 THR 4 -9.230 1.543 8.618 23 2HG2 THR 4 2HG2 THR 4 -10.016 2.943 7.850 24 3HG2 THR 4 3HG2 THR 4 -10.989 1.533 8.335 25 H ALA 5 H ALA 5 -9.278 0.351 4.181 26 HA ALA 5 HA ALA 5 -9.096 -2.272 3.226 27 1HB ALA 5 1HB ALA 5 -8.841 -0.754 1.529 28 2HB ALA 5 2HB ALA 5 -7.987 0.418 2.560 29 3HB ALA 5 3HB ALA 5 -7.118 -0.990 1.903 30 H THR 6 H THR 6 -7.994 -3.921 4.153 31 HA THR 6 HA THR 6 -5.257 -3.382 5.024 32 HB THR 6 HB THR 6 -5.983 -4.959 7.064 33 HG1 THR 6 1HG THR 6 -8.177 -5.209 6.296 34 1HG2 THR 6 1HG2 THR 6 -6.258 -3.051 8.450 35 2HG2 THR 6 2HG2 THR 6 -5.344 -2.386 7.074 36 3HG2 THR 6 3HG2 THR 6 -7.104 -2.137 7.177 37 H VAL 7 H VAL 7 -3.844 -5.145 4.860 38 HA VAL 7 HA VAL 7 -4.830 -7.162 3.028 39 HB VAL 7 HB VAL 7 -2.229 -6.002 3.826 40 1HG1 VAL 7 1HG1 VAL 7 -1.391 -8.060 4.348 41 2HG1 VAL 7 2HG1 VAL 7 -2.614 -8.927 3.391 42 3HG1 VAL 7 3HG1 VAL 7 -1.232 -8.157 2.579 43 1HG2 VAL 7 1HG2 VAL 7 -1.797 -6.151 1.431 44 2HG2 VAL 7 2HG2 VAL 7 -3.275 -7.115 1.201 45 3HG2 VAL 7 3HG2 VAL 7 -3.392 -5.418 1.724 46 H THR 8 H THR 8 -5.523 -9.129 3.679 47 HA THR 8 HA THR 8 -5.640 -9.855 6.360 48 HB THR 8 HB THR 8 -6.099 -11.113 3.669 49 HG1 THR 8 1HG THR 8 -8.159 -11.311 4.769 50 1HG2 THR 8 1HG2 THR 8 -6.556 -13.305 4.604 51 2HG2 THR 8 2HG2 THR 8 -4.891 -12.901 5.090 52 3HG2 THR 8 3HG2 THR 8 -6.224 -12.735 6.256 53 HA PRO 9 HA PRO 9 -1.908 -12.596 5.808 54 1HB PRO 9 1HB PRO 9 -0.749 -12.988 3.367 55 2HB PRO 9 2HB PRO 9 -1.975 -14.062 4.035 56 1HG PRO 9 1HG PRO 9 -2.202 -11.994 1.945 57 2HG PRO 9 2HG PRO 9 -3.300 -13.382 2.274 58 1HD PRO 9 1HD PRO 9 -3.702 -10.614 2.881 59 2HD PRO 9 2HD PRO 9 -4.738 -11.963 3.368 60 H SER 10 H SER 10 -1.692 -10.193 6.686 61 HA SER 10 HA SER 10 0.435 -8.903 5.249 62 1HB SER 10 1HB SER 10 0.147 -7.094 6.862 63 2HB SER 10 2HB SER 10 -1.439 -7.589 6.243 64 HG SER 10 HG SER 10 -1.887 -7.641 8.358 65 H SER 11 H SER 11 0.718 -11.608 6.675 66 HA SER 11 HA SER 11 2.725 -10.809 8.628 67 1HB SER 11 1HB SER 11 0.676 -12.493 9.035 68 2HB SER 11 2HB SER 11 1.829 -13.666 8.376 69 HG SER 11 HG SER 11 3.341 -12.987 10.037 70 H GLY 12 H GLY 12 4.889 -11.487 8.375 71 1HA GLY 12 1HA GLY 12 6.699 -11.906 7.065 72 2HA GLY 12 2HA GLY 12 5.991 -13.511 7.035 73 H LEU 13 H LEU 13 4.944 -10.387 5.499 74 HA LEU 13 HA LEU 13 3.932 -11.400 3.217 75 1HB LEU 13 1HB LEU 13 4.106 -9.279 2.299 76 2HB LEU 13 2HB LEU 13 3.972 -9.020 4.048 77 HG LEU 13 HG LEU 13 6.445 -8.684 4.120 78 1HD1 LEU 13 1HD1 LEU 13 7.513 -9.624 2.364 79 2HD1 LEU 13 2HD1 LEU 13 6.164 -9.338 1.240 80 3HD1 LEU 13 3HD1 LEU 13 7.276 -8.010 1.651 81 1HD2 LEU 13 1HD2 LEU 13 4.900 -6.788 4.058 82 2HD2 LEU 13 2HD2 LEU 13 6.411 -6.426 3.190 83 3HD2 LEU 13 3HD2 LEU 13 4.932 -6.813 2.278 84 H SER 14 H SER 14 4.837 -11.336 0.927 85 HA SER 14 HA SER 14 7.659 -12.002 0.908 86 1HB SER 14 1HB SER 14 5.917 -14.035 0.995 87 2HB SER 14 2HB SER 14 5.830 -13.720 -0.747 88 HG SER 14 HG SER 14 7.500 -15.152 -0.582 89 H ASP 15 H ASP 15 8.707 -11.479 -1.089 90 HA ASP 15 HA ASP 15 7.691 -9.385 -2.472 91 1HB ASP 15 1HB ASP 15 10.061 -10.087 -2.489 92 2HB ASP 15 2HB ASP 15 9.648 -11.520 -3.445 93 HD2 ASP 15 HD2 ASP 15 10.827 -9.313 -5.907 94 H GLY 16 H GLY 16 5.495 -9.790 -3.196 95 1HA GLY 16 1HA GLY 16 4.318 -10.181 -5.214 96 2HA GLY 16 2HA GLY 16 5.317 -11.588 -5.526 97 H THR 17 H THR 17 3.787 -10.674 -2.384 98 HA THR 17 HA THR 17 2.460 -13.276 -2.385 99 HB THR 17 HB THR 17 3.426 -11.263 -0.360 100 HG1 THR 17 1HG THR 17 3.192 -14.163 -0.739 101 1HG2 THR 17 1HG2 THR 17 0.981 -11.617 0.226 102 2HG2 THR 17 2HG2 THR 17 1.280 -13.372 0.220 103 3HG2 THR 17 3HG2 THR 17 2.092 -12.334 1.416 104 H VAL 18 H VAL 18 0.370 -13.551 -2.838 105 HA VAL 18 HA VAL 18 -1.197 -11.261 -3.493 106 HB VAL 18 HB VAL 18 -2.302 -14.025 -3.184 107 1HG1 VAL 18 1HG1 VAL 18 -3.242 -11.631 -4.261 108 2HG1 VAL 18 2HG1 VAL 18 -2.774 -12.595 -5.684 109 3HG1 VAL 18 3HG1 VAL 18 -3.936 -13.252 -4.507 110 1HG2 VAL 18 1HG2 VAL 18 -0.130 -13.182 -5.076 111 2HG2 VAL 18 2HG2 VAL 18 -0.377 -14.735 -4.239 112 3HG2 VAL 18 3HG2 VAL 18 -1.387 -14.310 -5.643 113 H VAL 19 H VAL 19 -2.151 -9.979 -2.003 114 HA VAL 19 HA VAL 19 -3.149 -11.306 0.423 115 HB VAL 19 HB VAL 19 -2.804 -9.011 1.459 116 1HG1 VAL 19 1HG1 VAL 19 -0.110 -9.542 1.299 117 2HG1 VAL 19 2HG1 VAL 19 -1.255 -10.350 2.395 118 3HG1 VAL 19 3HG1 VAL 19 -0.829 -11.106 0.839 119 1HG2 VAL 19 1HG2 VAL 19 -1.107 -8.659 -1.034 120 2HG2 VAL 19 2HG2 VAL 19 -2.508 -7.679 -0.540 121 3HG2 VAL 19 3HG2 VAL 19 -1.007 -7.632 0.416 122 H LYS 20 H LYS 20 -5.138 -10.378 1.336 123 HA LYS 20 HA LYS 20 -6.791 -9.267 -0.811 124 1HB LYS 20 1HB LYS 20 -7.149 -11.417 0.990 125 2HB LYS 20 2HB LYS 20 -8.309 -10.162 1.458 126 1HG LYS 20 1HG LYS 20 -8.607 -10.072 -1.237 127 2HG LYS 20 2HG LYS 20 -8.123 -11.766 -1.065 128 1HD LYS 20 1HD LYS 20 -10.132 -12.335 -0.200 129 2HD LYS 20 2HD LYS 20 -10.107 -10.993 0.955 130 1HE LYS 20 1HE LYS 20 -10.793 -9.462 -0.940 131 2HE LYS 20 2HE LYS 20 -10.981 -10.890 -1.970 132 1HZ LYS 20 1HZ LYS 20 -13.052 -10.657 -1.126 133 2HZ LYS 20 2HZ LYS 20 -12.436 -11.646 0.018 134 3HZ LYS 20 3HZ LYS 20 -12.564 -10.043 0.306 135 H VAL 21 H VAL 21 -6.984 -7.096 -0.758 136 HA VAL 21 HA VAL 21 -6.646 -5.746 1.787 137 HB VAL 21 HB VAL 21 -6.946 -4.763 -1.055 138 1HG1 VAL 21 1HG1 VAL 21 -6.150 -3.127 1.370 139 2HG1 VAL 21 2HG1 VAL 21 -6.473 -2.552 -0.282 140 3HG1 VAL 21 3HG1 VAL 21 -7.804 -3.177 0.720 141 1HG2 VAL 21 1HG2 VAL 21 -4.714 -4.889 -1.264 142 2HG2 VAL 21 2HG2 VAL 21 -4.436 -4.231 0.367 143 3HG2 VAL 21 3HG2 VAL 21 -4.768 -5.966 0.152 144 H ALA 22 H ALA 22 -8.524 -6.221 2.975 145 HA ALA 22 HA ALA 22 -11.082 -5.727 1.704 146 1HB ALA 22 1HB ALA 22 -10.111 -6.921 4.299 147 2HB ALA 22 2HB ALA 22 -11.807 -6.401 4.136 148 3HB ALA 22 3HB ALA 22 -11.146 -7.641 3.043 149 H GLY 23 H GLY 23 -11.921 -3.710 1.635 150 1HA GLY 23 1HA GLY 23 -10.963 -1.749 3.606 151 2HA GLY 23 2HA GLY 23 -11.692 -1.403 2.051 152 H ALA 24 H ALA 24 -12.395 -2.857 5.290 153 HA ALA 24 HA ALA 24 -15.223 -2.661 4.879 154 1HB ALA 24 1HB ALA 24 -15.045 -3.186 7.473 155 2HB ALA 24 2HB ALA 24 -14.665 -4.436 6.266 156 3HB ALA 24 3HB ALA 24 -13.349 -3.541 7.062 157 H GLY 25 H GLY 25 -16.081 -0.633 4.698 158 1HA GLY 25 1HA GLY 25 -16.854 1.340 5.518 159 2HA GLY 25 2HA GLY 25 -15.912 1.114 6.979 160 H LEU 26 H LEU 26 -14.610 0.973 3.626 161 HA LEU 26 HA LEU 26 -12.493 2.690 4.239 162 1HB LEU 26 1HB LEU 26 -12.742 0.902 2.433 163 2HB LEU 26 2HB LEU 26 -13.530 2.162 1.468 164 HG LEU 26 HG LEU 26 -11.408 2.392 0.700 165 1HD1 LEU 26 1HD1 LEU 26 -11.542 4.092 3.183 166 2HD1 LEU 26 2HD1 LEU 26 -10.143 4.151 2.085 167 3HD1 LEU 26 3HD1 LEU 26 -11.764 4.560 1.480 168 1HD2 LEU 26 1HD2 LEU 26 -9.650 2.127 2.947 169 2HD2 LEU 26 2HD2 LEU 26 -10.765 0.740 2.906 170 3HD2 LEU 26 3HD2 LEU 26 -9.769 1.124 1.482 171 H GLN 27 H GLN 27 -13.589 3.908 1.315 172 HA GLN 27 HA GLN 27 -14.215 6.391 2.598 173 1HB GLN 27 1HB GLN 27 -12.771 5.880 0.422 174 2HB GLN 27 2HB GLN 27 -14.341 6.023 -0.389 175 1HG GLN 27 1HG GLN 27 -12.837 8.091 1.241 176 2HG GLN 27 2HG GLN 27 -13.425 8.227 -0.422 177 1HE2 GLN 27 1HE2 GLN 27 -14.984 9.637 -0.559 178 2HE2 GLN 27 2HE2 GLN 27 -16.296 9.867 0.547 179 H ALA 28 H ALA 28 -16.129 4.223 3.002 180 HA ALA 28 HA ALA 28 -18.345 4.077 3.147 181 1HB ALA 28 1HB ALA 28 -19.547 5.988 2.989 182 2HB ALA 28 2HB ALA 28 -17.994 6.765 2.597 183 3HB ALA 28 3HB ALA 28 -19.082 6.246 1.289 184 H GLY 29 H GLY 29 -16.496 4.105 0.250 185 1HA GLY 29 1HA GLY 29 -17.077 2.015 -1.046 186 2HA GLY 29 2HA GLY 29 -18.657 2.748 -1.238 187 H THR 30 H THR 30 -16.384 5.259 -1.073 188 HA THR 30 HA THR 30 -16.767 6.041 -3.724 189 HB THR 30 HB THR 30 -14.387 6.885 -2.037 190 HG1 THR 30 1HG THR 30 -16.250 8.256 -1.031 191 1HG2 THR 30 1HG2 THR 30 -14.563 8.814 -3.259 192 2HG2 THR 30 2HG2 THR 30 -15.712 7.948 -4.309 193 3HG2 THR 30 3HG2 THR 30 -16.312 8.913 -2.939 194 H ALA 31 H ALA 31 -13.986 6.785 -4.393 195 HA ALA 31 HA ALA 31 -12.886 4.149 -5.032 196 1HB ALA 31 1HB ALA 31 -14.398 5.368 -6.865 197 2HB ALA 31 2HB ALA 31 -12.896 6.280 -7.147 198 3HB ALA 31 3HB ALA 31 -12.906 4.507 -7.315 199 H TYR 32 H TYR 32 -10.616 4.097 -5.128 200 HA TYR 32 HA TYR 32 -9.185 6.610 -4.972 201 1HB TYR 32 1HB TYR 32 -9.483 4.465 -2.813 202 2HB TYR 32 2HB TYR 32 -8.011 5.441 -2.867 203 HD1 TYR 32 1HD TYR 32 -9.629 7.983 -3.853 204 HD2 TYR 32 2HD TYR 32 -10.059 5.259 -0.583 205 HE1 TYR 32 1HE TYR 32 -10.798 9.788 -2.495 206 HE2 TYR 32 2HE TYR 32 -11.225 7.071 0.765 207 HH TYR 32 HH TYR 32 -11.020 10.159 0.188 208 H ASP 33 H ASP 33 -6.716 6.120 -4.815 209 HA ASP 33 HA ASP 33 -6.249 4.046 -6.748 210 1HB ASP 33 1HB ASP 33 -5.155 6.586 -6.202 211 2HB ASP 33 2HB ASP 33 -3.869 5.453 -5.762 212 HD2 ASP 33 HD2 ASP 33 -3.539 4.430 -9.126 213 H VAL 34 H VAL 34 -5.823 1.989 -5.921 214 HA VAL 34 HA VAL 34 -4.878 1.697 -3.230 215 HB VAL 34 HB VAL 34 -6.368 0.207 -5.061 216 1HG1 VAL 34 1HG1 VAL 34 -5.273 -1.864 -5.392 217 2HG1 VAL 34 2HG1 VAL 34 -4.088 -0.624 -5.866 218 3HG1 VAL 34 3HG1 VAL 34 -3.946 -1.435 -4.286 219 1HG2 VAL 34 1HG2 VAL 34 -6.203 -1.516 -3.059 220 2HG2 VAL 34 2HG2 VAL 34 -5.377 -0.159 -2.256 221 3HG2 VAL 34 3HG2 VAL 34 -7.037 0.043 -2.866 222 H GLY 35 H GLY 35 -2.823 1.141 -2.538 223 1HA GLY 35 1HA GLY 35 -0.811 0.057 -4.149 224 2HA GLY 35 2HA GLY 35 -0.645 1.800 -4.196 225 H GLN 36 H GLN 36 1.314 0.069 -3.029 226 HA GLN 36 HA GLN 36 0.866 0.367 -0.185 227 1HB GLN 36 1HB GLN 36 3.373 -0.843 -1.304 228 2HB GLN 36 2HB GLN 36 2.450 -1.307 0.135 229 1HG GLN 36 1HG GLN 36 1.176 -2.770 -1.040 230 2HG GLN 36 2HG GLN 36 0.912 -1.624 -2.363 231 1HE2 GLN 36 1HE2 GLN 36 3.208 -1.104 -3.448 232 2HE2 GLN 36 2HE2 GLN 36 4.048 -2.507 -4.023 233 H CYS 37 H CYS 37 1.292 2.459 0.465 234 HA CYS 37 HA CYS 37 3.744 3.662 -0.580 235 1HB CYS 37 1HB CYS 37 1.411 4.761 -0.820 236 2HB CYS 37 2HB CYS 37 1.608 5.182 0.884 237 H ALA 38 H ALA 38 5.178 4.725 1.000 238 HA ALA 38 HA ALA 38 4.773 4.816 3.713 239 1HB ALA 38 1HB ALA 38 5.903 2.173 2.741 240 2HB ALA 38 2HB ALA 38 6.226 2.801 4.376 241 3HB ALA 38 3HB ALA 38 4.557 2.454 3.870 242 H TRP 39 H TRP 39 6.971 5.052 4.906 243 HA TRP 39 HA TRP 39 8.568 6.787 3.352 244 1HB TRP 39 1HB TRP 39 9.018 5.594 6.089 245 2HB TRP 39 2HB TRP 39 9.966 6.902 5.380 246 HD1 TRP 39 HD TRP 39 8.667 9.324 5.146 247 HE1 TRP 39 1HE TRP 39 6.632 10.428 6.412 248 HE3 TRP 39 3HE TRP 39 6.882 5.000 7.139 249 HZ2 TRP 39 2HZ TRP 39 4.551 9.392 8.068 250 HZ3 TRP 39 3HZ TRP 39 4.845 5.134 8.568 251 HH2 TRP 39 HH TRP 39 3.686 7.234 9.042 252 H VAL 40 H VAL 40 9.841 6.004 1.714 253 HA VAL 40 HA VAL 40 11.046 3.376 2.056 254 HB VAL 40 HB VAL 40 9.818 4.613 -0.050 255 1HG1 VAL 40 1HG1 VAL 40 11.524 5.061 -1.754 256 2HG1 VAL 40 2HG1 VAL 40 11.693 6.167 -0.370 257 3HG1 VAL 40 3HG1 VAL 40 12.808 4.791 -0.552 258 1HG2 VAL 40 1HG2 VAL 40 11.469 2.734 -1.269 259 2HG2 VAL 40 2HG2 VAL 40 11.388 2.196 0.426 260 3HG2 VAL 40 3HG2 VAL 40 9.889 2.421 -0.508 261 H ASP 41 H ASP 41 11.915 6.836 1.457 262 HA ASP 41 HA ASP 41 14.689 6.153 1.728 263 1HB ASP 41 1HB ASP 41 13.211 8.190 0.453 264 2HB ASP 41 2HB ASP 41 14.057 9.020 1.769 265 HD2 ASP 41 HD2 ASP 41 16.165 8.991 -1.187 266 H THR 42 H THR 42 15.502 8.669 3.027 267 HA THR 42 HA THR 42 15.142 7.911 5.747 268 HB THR 42 HB THR 42 16.467 10.248 4.288 269 HG1 THR 42 1HG THR 42 17.473 8.144 4.138 270 1HG2 THR 42 1HG2 THR 42 15.740 10.764 6.745 271 2HG2 THR 42 2HG2 THR 42 16.875 9.474 7.211 272 3HG2 THR 42 3HG2 THR 42 17.472 10.924 6.365 273 H GLY 43 H GLY 43 12.857 7.910 6.077 274 1HA GLY 43 1HA GLY 43 10.998 8.852 6.923 275 2HA GLY 43 2HA GLY 43 11.898 10.338 7.159 276 H VAL 44 H VAL 44 11.885 8.976 3.913 277 HA VAL 44 HA VAL 44 10.147 11.181 3.089 278 HB VAL 44 HB VAL 44 12.134 9.491 1.559 279 1HG1 VAL 44 1HG1 VAL 44 10.586 11.935 0.636 280 2HG1 VAL 44 2HG1 VAL 44 11.778 11.010 -0.308 281 3HG1 VAL 44 3HG1 VAL 44 10.235 10.256 0.160 282 1HG2 VAL 44 1HG2 VAL 44 13.686 10.887 2.341 283 2HG2 VAL 44 2HG2 VAL 44 12.838 12.235 1.546 284 3HG2 VAL 44 3HG2 VAL 44 12.453 11.814 3.232 285 H LEU 45 H LEU 45 8.037 10.627 2.901 286 HA LEU 45 HA LEU 45 7.176 7.972 2.707 287 1HB LEU 45 1HB LEU 45 6.054 10.284 3.406 288 2HB LEU 45 2HB LEU 45 5.425 10.170 1.753 289 HG LEU 45 HG LEU 45 5.162 7.743 3.447 290 1HD1 LEU 45 1HD1 LEU 45 3.704 10.319 4.054 291 2HD1 LEU 45 2HD1 LEU 45 3.052 8.720 4.481 292 3HD1 LEU 45 3HD1 LEU 45 4.605 9.260 5.164 293 1HD2 LEU 45 1HD2 LEU 45 3.199 7.391 2.228 294 2HD2 LEU 45 2HD2 LEU 45 3.042 9.109 1.793 295 3HD2 LEU 45 3HD2 LEU 45 4.319 8.115 1.049 296 H ALA 46 H ALA 46 7.954 6.744 1.027 297 HA ALA 46 HA ALA 46 7.533 7.854 -1.663 298 1HB ALA 46 1HB ALA 46 9.671 7.263 -2.017 299 2HB ALA 46 2HB ALA 46 9.781 6.567 -0.383 300 3HB ALA 46 3HB ALA 46 9.218 5.565 -1.741 301 H CYS 47 H CYS 47 6.217 6.754 -3.092 302 HA CYS 47 HA CYS 47 4.787 4.506 -1.928 303 1HB CYS 47 1HB CYS 47 4.154 6.105 -4.409 304 2HB CYS 47 2HB CYS 47 3.124 4.888 -3.650 305 H ASN 48 H ASN 48 4.395 2.566 -3.327 306 HA ASN 48 HA ASN 48 6.806 1.852 -4.632 307 1HB ASN 48 1HB ASN 48 4.130 0.390 -4.414 308 2HB ASN 48 2HB ASN 48 5.639 -0.350 -4.970 309 1HD2 ASN 48 1HD2 ASN 48 6.446 1.936 -2.750 310 2HD2 ASN 48 2HD2 ASN 48 6.528 0.989 -1.302 311 HA PRO 49 HA PRO 49 5.425 2.523 -8.740 312 1HB PRO 49 1HB PRO 49 6.583 0.489 -10.150 313 2HB PRO 49 2HB PRO 49 7.458 1.933 -9.646 314 1HG PRO 49 1HG PRO 49 7.504 -0.798 -8.533 315 2HG PRO 49 2HG PRO 49 8.721 0.515 -8.338 316 1HD PRO 49 1HD PRO 49 6.785 -0.411 -6.443 317 2HD PRO 49 2HD PRO 49 7.852 0.989 -6.264 318 H ALA 50 H ALA 50 4.478 -0.271 -7.122 319 HA ALA 50 HA ALA 50 2.491 -0.796 -9.219 320 1HB ALA 50 1HB ALA 50 3.836 -2.500 -7.117 321 2HB ALA 50 2HB ALA 50 2.269 -2.984 -7.811 322 3HB ALA 50 3HB ALA 50 3.688 -2.785 -8.867 323 H ASP 51 H ASP 51 2.638 1.345 -6.971 324 HA ASP 51 HA ASP 51 0.512 0.486 -5.261 325 1HB ASP 51 1HB ASP 51 1.657 1.938 -3.957 326 2HB ASP 51 2HB ASP 51 2.502 2.637 -5.347 327 HD2 ASP 51 HD2 ASP 51 -0.413 4.628 -3.671 328 H PHE 52 H PHE 52 0.510 1.207 -8.412 329 HA PHE 52 HA PHE 52 -1.679 3.147 -8.307 330 1HB PHE 52 1HB PHE 52 -0.361 2.069 -10.820 331 2HB PHE 52 2HB PHE 52 -0.971 3.701 -10.523 332 HD1 PHE 52 1HD PHE 52 0.472 4.255 -7.944 333 HD2 PHE 52 2HD PHE 52 1.807 2.509 -11.577 334 HE1 PHE 52 1HE PHE 52 2.813 5.022 -7.456 335 HE2 PHE 52 2HE PHE 52 4.146 3.278 -11.087 336 HZ PHE 52 HZ PHE 52 4.619 4.525 -9.032 337 H SER 53 H SER 53 -3.375 1.699 -7.671 338 HA SER 53 HA SER 53 -4.293 0.126 -9.896 339 1HB SER 53 1HB SER 53 -3.061 -1.071 -7.603 340 2HB SER 53 2HB SER 53 -4.793 -1.446 -7.531 341 HG SER 53 HG SER 53 -3.315 -1.772 -9.976 342 H SER 54 H SER 54 -5.892 1.853 -10.008 343 HA SER 54 HA SER 54 -7.323 2.909 -8.026 344 1HB SER 54 1HB SER 54 -7.447 2.980 -10.737 345 2HB SER 54 2HB SER 54 -8.943 2.096 -10.403 346 HG SER 54 HG SER 54 -9.734 3.838 -9.231 347 H VAL 55 H VAL 55 -9.268 2.412 -6.853 348 HA VAL 55 HA VAL 55 -10.562 -0.109 -7.303 349 HB VAL 55 HB VAL 55 -8.356 -0.338 -5.827 350 1HG1 VAL 55 1HG1 VAL 55 -10.497 0.421 -3.807 351 2HG1 VAL 55 2HG1 VAL 55 -8.909 -0.287 -3.421 352 3HG1 VAL 55 3HG1 VAL 55 -9.006 1.328 -4.162 353 1HG2 VAL 55 1HG2 VAL 55 -9.109 -2.431 -5.493 354 2HG2 VAL 55 2HG2 VAL 55 -10.539 -1.874 -4.591 355 3HG2 VAL 55 3HG2 VAL 55 -10.562 -1.898 -6.372 356 H THR 56 H THR 56 -12.439 -0.360 -5.715 357 HA THR 56 HA THR 56 -13.215 2.134 -4.437 358 HB THR 56 HB THR 56 -14.316 1.061 -7.004 359 HG1 THR 56 1HG THR 56 -14.608 3.365 -7.162 360 1HG2 THR 56 1HG2 THR 56 -16.339 0.608 -5.816 361 2HG2 THR 56 2HG2 THR 56 -16.041 1.915 -4.644 362 3HG2 THR 56 3HG2 THR 56 -16.532 2.308 -6.311 363 H ALA 57 H ALA 57 -14.970 1.893 -2.922 364 HA ALA 57 HA ALA 57 -15.111 -0.878 -1.983 365 1HB ALA 57 1HB ALA 57 -14.355 0.319 -0.176 366 2HB ALA 57 2HB ALA 57 -15.117 1.835 -0.720 367 3HB ALA 57 3HB ALA 57 -16.101 0.574 0.063 368 H ASP 58 H ASP 58 -17.129 -1.860 -1.514 369 HA ASP 58 HA ASP 58 -19.148 -1.249 -3.262 370 1HB ASP 58 1HB ASP 58 -19.701 -2.583 -0.604 371 2HB ASP 58 2HB ASP 58 -20.372 -2.981 -2.195 372 HD2 ASP 58 HD2 ASP 58 -17.807 -5.405 -1.147 373 H ALA 59 H ALA 59 -21.479 -0.599 -2.624 374 HA ALA 59 HA ALA 59 -21.674 1.881 -1.634 375 1HB ALA 59 1HB ALA 59 -23.415 0.156 -2.659 376 2HB ALA 59 2HB ALA 59 -23.856 -0.072 -0.948 377 3HB ALA 59 3HB ALA 59 -23.966 1.543 -1.690 378 H ASN 60 H ASN 60 -21.386 -1.152 0.222 379 HA ASN 60 HA ASN 60 -21.932 0.230 2.671 380 1HB ASN 60 1HB ASN 60 -22.174 -2.406 1.831 381 2HB ASN 60 2HB ASN 60 -20.708 -2.481 2.820 382 1HD2 ASN 60 1HD2 ASN 60 -23.105 -3.775 3.432 383 2HD2 ASN 60 2HD2 ASN 60 -23.775 -3.111 4.885 384 H GLY 61 H GLY 61 -19.660 1.190 1.057 385 1HA GLY 61 1HA GLY 61 -17.438 1.587 1.134 386 2HA GLY 61 2HA GLY 61 -17.704 1.650 2.865 387 H SER 62 H SER 62 -17.900 -1.159 0.575 388 HA SER 62 HA SER 62 -15.851 -2.408 2.233 389 1HB SER 62 1HB SER 62 -18.280 -3.514 0.820 390 2HB SER 62 2HB SER 62 -16.920 -4.579 1.212 391 HG SER 62 HG SER 62 -17.327 -3.313 3.461 392 H ALA 63 H ALA 63 -13.961 -1.935 1.079 393 HA ALA 63 HA ALA 63 -14.013 -2.490 -1.798 394 1HB ALA 63 1HB ALA 63 -11.628 -1.312 -1.408 395 2HB ALA 63 2HB ALA 63 -13.128 -0.374 -1.618 396 3HB ALA 63 3HB ALA 63 -12.480 -0.664 0.015 397 H SER 64 H SER 64 -14.005 -4.826 -1.505 398 HA SER 64 HA SER 64 -11.684 -5.876 -0.159 399 1HB SER 64 1HB SER 64 -12.793 -8.108 -0.845 400 2HB SER 64 2HB SER 64 -13.637 -7.111 0.353 401 HG SER 64 HG SER 64 -15.233 -7.618 -1.083 402 H THR 65 H THR 65 -10.108 -4.977 -1.728 403 HA THR 65 HA THR 65 -10.175 -6.363 -4.325 404 HB THR 65 HB THR 65 -10.167 -3.726 -4.014 405 HG1 THR 65 1HG THR 65 -9.811 -4.762 -6.052 406 1HG2 THR 65 1HG2 THR 65 -7.938 -2.758 -3.895 407 2HG2 THR 65 2HG2 THR 65 -8.109 -3.803 -2.465 408 3HG2 THR 65 3HG2 THR 65 -7.180 -4.369 -3.873 409 H SER 66 H SER 66 -8.419 -7.546 -5.058 410 HA SER 66 HA SER 66 -6.612 -8.270 -2.906 411 1HB SER 66 1HB SER 66 -6.237 -10.325 -4.082 412 2HB SER 66 2HB SER 66 -7.985 -10.034 -4.119 413 HG SER 66 HG SER 66 -7.395 -10.624 -6.207 414 H LEU 67 H LEU 67 -4.390 -7.899 -3.047 415 HA LEU 67 HA LEU 67 -3.370 -6.978 -5.630 416 1HB LEU 67 1HB LEU 67 -3.866 -5.344 -3.372 417 2HB LEU 67 2HB LEU 67 -2.109 -5.494 -3.553 418 HG LEU 67 HG LEU 67 -3.119 -3.514 -4.683 419 1HD1 LEU 67 1HD1 LEU 67 -1.792 -5.491 -6.558 420 2HD1 LEU 67 2HD1 LEU 67 -1.844 -3.722 -6.738 421 3HD1 LEU 67 3HD1 LEU 67 -0.954 -4.452 -5.381 422 1HD2 LEU 67 1HD2 LEU 67 -4.220 -5.359 -6.786 423 2HD2 LEU 67 2HD2 LEU 67 -5.201 -4.901 -5.374 424 3HD2 LEU 67 3HD2 LEU 67 -4.585 -3.645 -6.473 425 H THR 68 H THR 68 -0.874 -6.950 -5.578 426 HA THR 68 HA THR 68 -0.023 -9.331 -4.075 427 HB THR 68 HB THR 68 0.709 -8.115 -6.772 428 HG1 THR 68 1HG THR 68 0.113 -10.350 -7.299 429 1HG2 THR 68 1HG2 THR 68 2.595 -9.309 -4.997 430 2HG2 THR 68 2HG2 THR 68 2.101 -10.604 -6.115 431 3HG2 THR 68 3HG2 THR 68 2.779 -9.088 -6.754 432 H VAL 69 H VAL 69 1.616 -9.258 -2.632 433 HA VAL 69 HA VAL 69 2.618 -6.604 -2.027 434 HB VAL 69 HB VAL 69 3.040 -9.234 -0.594 435 1HG1 VAL 69 1HG1 VAL 69 3.037 -6.971 1.143 436 2HG1 VAL 69 2HG1 VAL 69 4.377 -8.080 0.765 437 3HG1 VAL 69 3HG1 VAL 69 4.132 -6.615 -0.215 438 1HG2 VAL 69 1HG2 VAL 69 0.768 -7.275 -0.539 439 2HG2 VAL 69 2HG2 VAL 69 0.747 -9.051 -0.441 440 3HG2 VAL 69 3HG2 VAL 69 1.247 -8.089 0.970 441 H ARG 70 H ARG 70 3.989 -6.263 -3.876 442 HA ARG 70 HA ARG 70 6.089 -8.174 -4.258 443 1HB ARG 70 1HB ARG 70 5.443 -5.517 -5.613 444 2HB ARG 70 2HB ARG 70 6.782 -6.568 -6.109 445 1HG ARG 70 1HG ARG 70 4.213 -7.993 -5.863 446 2HG ARG 70 2HG ARG 70 4.155 -6.684 -7.058 447 1HD ARG 70 1HD ARG 70 6.392 -7.683 -7.943 448 2HD ARG 70 2HD ARG 70 5.980 -9.116 -6.990 449 HE ARG 70 HE ARG 70 4.250 -9.599 -8.513 450 1HH1 ARG 70 1HH1 ARG 70 5.487 -6.358 -9.099 451 2HH1 ARG 70 2HH1 ARG 70 4.626 -6.161 -10.590 452 1HH2 ARG 70 1HH2 ARG 70 3.116 -9.342 -10.479 453 2HH2 ARG 70 2HH2 ARG 70 3.269 -7.870 -11.381 454 H ARG 71 H ARG 71 6.826 -7.697 -1.903 455 HA ARG 71 HA ARG 71 7.675 -5.447 -0.884 456 1HB ARG 71 1HB ARG 71 8.024 -7.951 -0.140 457 2HB ARG 71 2HB ARG 71 9.629 -7.774 -0.870 458 1HG ARG 71 1HG ARG 71 9.746 -5.582 0.581 459 2HG ARG 71 2HG ARG 71 8.435 -6.328 1.512 460 1HD ARG 71 1HD ARG 71 11.266 -7.331 1.075 461 2HD ARG 71 2HD ARG 71 10.454 -7.000 2.613 462 HE ARG 71 HE ARG 71 9.063 -9.047 1.111 463 1HH1 ARG 71 1HH1 ARG 71 11.889 -8.513 3.136 464 2HH1 ARG 71 2HH1 ARG 71 11.976 -10.158 3.668 465 1HH2 ARG 71 1HH2 ARG 71 9.177 -11.218 1.813 466 2HH2 ARG 71 2HH2 ARG 71 10.423 -11.708 2.911 467 H SER 72 H SER 72 9.112 -7.100 -3.682 468 HA SER 72 HA SER 72 11.369 -5.299 -3.644 469 1HB SER 72 1HB SER 72 12.343 -6.697 -5.294 470 2HB SER 72 2HB SER 72 11.524 -7.812 -4.185 471 HG SER 72 HG SER 72 10.533 -6.858 -6.737 472 H PHE 73 H PHE 73 11.351 -3.395 -4.787 473 HA PHE 73 HA PHE 73 10.371 -3.123 -7.353 474 1HB PHE 73 1HB PHE 73 8.406 -1.505 -6.470 475 2HB PHE 73 2HB PHE 73 8.101 -3.234 -6.667 476 HD1 PHE 73 1HD PHE 73 6.264 -3.126 -5.062 477 HD2 PHE 73 2HD PHE 73 10.216 -2.062 -3.935 478 HE1 PHE 73 1HE PHE 73 5.615 -3.274 -2.641 479 HE2 PHE 73 2HE PHE 73 9.565 -2.209 -1.515 480 HZ PHE 73 HZ PHE 73 7.271 -2.813 -0.896 481 H GLU 74 H GLU 74 10.173 -0.696 -7.977 482 HA GLU 74 HA GLU 74 12.262 0.648 -6.506 483 1HB GLU 74 1HB GLU 74 12.382 0.388 -8.995 484 2HB GLU 74 2HB GLU 74 10.949 1.419 -9.150 485 1HG GLU 74 1HG GLU 74 12.552 3.050 -9.361 486 2HG GLU 74 2HG GLU 74 12.474 3.032 -7.591 487 HE2 GLU 74 HE2 GLU 74 15.938 2.577 -8.770 488 H GLY 75 H GLY 75 11.634 1.947 -4.838 489 1HA GLY 75 1HA GLY 75 8.971 2.948 -4.618 490 2HA GLY 75 2HA GLY 75 10.331 3.286 -3.567 491 H PHE 76 H PHE 76 8.495 5.312 -4.264 492 HA PHE 76 HA PHE 76 10.270 7.051 -5.800 493 1HB PHE 76 1HB PHE 76 7.601 6.015 -6.476 494 2HB PHE 76 2HB PHE 76 7.529 7.772 -6.307 495 HD1 PHE 76 1HD PHE 76 8.113 9.099 -8.119 496 HD2 PHE 76 2HD PHE 76 9.492 5.088 -7.994 497 HE1 PHE 76 1HE PHE 76 9.032 9.344 -10.440 498 HE2 PHE 76 2HE PHE 76 10.411 5.332 -10.317 499 HZ PHE 76 HZ PHE 76 10.171 7.457 -11.512 500 H LEU 77 H LEU 77 10.786 8.751 -4.517 501 HA LEU 77 HA LEU 77 9.605 9.263 -2.087 502 1HB LEU 77 1HB LEU 77 10.987 11.290 -3.829 503 2HB LEU 77 2HB LEU 77 10.877 11.276 -2.060 504 HG LEU 77 HG LEU 77 12.487 9.448 -3.852 505 1HD1 LEU 77 1HD1 LEU 77 14.236 10.378 -2.050 506 2HD1 LEU 77 2HD1 LEU 77 13.866 11.222 -3.573 507 3HD1 LEU 77 3HD1 LEU 77 13.088 11.739 -2.059 508 1HD2 LEU 77 1HD2 LEU 77 11.847 7.885 -2.307 509 2HD2 LEU 77 2HD2 LEU 77 13.269 8.578 -1.491 510 3HD2 LEU 77 3HD2 LEU 77 11.631 9.087 -1.011 511 H PHE 78 H PHE 78 8.423 11.323 -1.427 512 HA PHE 78 HA PHE 78 6.047 11.466 -3.004 513 1HB PHE 78 1HB PHE 78 5.233 12.577 -1.058 514 2HB PHE 78 2HB PHE 78 6.530 11.587 -0.378 515 HD1 PHE 78 1HD PHE 78 5.617 14.996 -1.468 516 HD2 PHE 78 2HD PHE 78 8.427 12.600 0.624 517 HE1 PHE 78 1HE PHE 78 6.688 17.066 -0.538 518 HE2 PHE 78 2HE PHE 78 9.498 14.671 1.554 519 HZ PHE 78 HZ PHE 78 8.617 16.879 0.964 520 H ASP 79 H ASP 79 8.934 13.498 -2.421 521 HA ASP 79 HA ASP 79 8.008 15.896 -3.269 522 1HB ASP 79 1HB ASP 79 10.400 14.969 -2.500 523 2HB ASP 79 2HB ASP 79 10.708 14.972 -4.243 524 HD2 ASP 79 HD2 ASP 79 11.318 18.235 -2.399 525 H GLY 80 H GLY 80 9.477 13.185 -5.204 526 1HA GLY 80 1HA GLY 80 7.916 13.080 -7.351 527 2HA GLY 80 2HA GLY 80 8.840 14.525 -7.710 528 H THR 81 H THR 81 11.185 13.317 -6.043 529 HA THR 81 HA THR 81 12.425 12.028 -8.295 530 HB THR 81 HB THR 81 13.311 12.796 -5.469 531 HG1 THR 81 1HG THR 81 12.810 14.354 -7.341 532 1HG2 THR 81 1HG2 THR 81 15.646 12.534 -6.577 533 2HG2 THR 81 2HG2 THR 81 14.834 11.026 -6.089 534 3HG2 THR 81 3HG2 THR 81 14.828 11.529 -7.797 535 H ARG 82 H ARG 82 12.992 9.906 -8.574 536 HA ARG 82 HA ARG 82 11.488 8.103 -6.960 537 1HB ARG 82 1HB ARG 82 12.029 6.451 -8.611 538 2HB ARG 82 2HB ARG 82 11.801 7.959 -9.517 539 1HG ARG 82 1HG ARG 82 14.352 8.276 -9.289 540 2HG ARG 82 2HG ARG 82 14.410 6.584 -8.763 541 1HD ARG 82 1HD ARG 82 14.771 6.397 -11.071 542 2HD ARG 82 2HD ARG 82 13.024 6.135 -10.968 543 HE ARG 82 HE ARG 82 13.235 8.868 -11.286 544 1HH1 ARG 82 1HH1 ARG 82 14.542 6.127 -13.066 545 2HH1 ARG 82 2HH1 ARG 82 14.573 6.965 -14.583 546 1HH2 ARG 82 1HH2 ARG 82 13.277 9.972 -13.288 547 2HH2 ARG 82 2HH2 ARG 82 13.849 9.167 -14.709 548 H TRP 83 H TRP 83 12.370 6.415 -5.621 549 HA TRP 83 HA TRP 83 15.167 6.886 -4.876 550 1HB TRP 83 1HB TRP 83 13.617 7.262 -3.085 551 2HB TRP 83 2HB TRP 83 12.854 5.692 -3.341 552 HD1 TRP 83 HD TRP 83 13.875 3.709 -1.943 553 HE1 TRP 83 1HE TRP 83 15.946 3.294 -0.363 554 HE3 TRP 83 3HE TRP 83 16.164 8.145 -2.909 555 HZ2 TRP 83 2HZ TRP 83 18.258 4.834 0.292 556 HZ3 TRP 83 3HZ TRP 83 18.324 8.611 -1.756 557 HH2 TRP 83 HH TRP 83 19.373 7.042 -0.203 558 H GLY 84 H GLY 84 13.183 3.986 -4.195 559 1HA GLY 84 1HA GLY 84 13.564 2.245 -6.139 560 2HA GLY 84 2HA GLY 84 15.204 2.345 -5.526 561 H THR 85 H THR 85 15.505 2.005 -3.091 562 HA THR 85 HA THR 85 15.233 0.781 -1.254 563 HB THR 85 HB THR 85 12.376 1.219 -2.151 564 HG1 THR 85 1HG THR 85 14.288 2.350 -0.625 565 1HG2 THR 85 1HG2 THR 85 11.805 -0.771 -1.084 566 2HG2 THR 85 2HG2 THR 85 13.347 -0.847 -0.195 567 3HG2 THR 85 3HG2 THR 85 12.046 0.228 0.369 568 H VAL 86 H VAL 86 13.092 -0.644 -3.818 569 HA VAL 86 HA VAL 86 13.148 -2.639 -4.779 570 HB VAL 86 HB VAL 86 15.800 -2.962 -3.357 571 1HG1 VAL 86 1HG1 VAL 86 15.731 -4.519 -5.709 572 2HG1 VAL 86 2HG1 VAL 86 15.761 -5.090 -4.024 573 3HG1 VAL 86 3HG1 VAL 86 14.205 -4.850 -4.854 574 1HG2 VAL 86 1HG2 VAL 86 16.453 -2.627 -5.947 575 2HG2 VAL 86 2HG2 VAL 86 14.960 -1.656 -5.901 576 3HG2 VAL 86 3HG2 VAL 86 16.308 -1.274 -4.800 577 H ASP 87 H ASP 87 14.979 -4.215 -2.242 578 HA ASP 87 HA ASP 87 12.730 -5.753 -1.566 579 1HB ASP 87 1HB ASP 87 14.847 -5.894 0.420 580 2HB ASP 87 2HB ASP 87 14.336 -7.131 -0.741 581 HD2 ASP 87 HD2 ASP 87 17.499 -4.881 -1.587 582 H CYS 88 H CYS 88 11.078 -4.657 -0.436 583 HA CYS 88 HA CYS 88 11.783 -2.696 1.537 584 1HB CYS 88 1HB CYS 88 9.930 -2.018 0.400 585 2HB CYS 88 2HB CYS 88 9.264 -3.647 0.255 586 H THR 89 H THR 89 13.060 -4.396 2.807 587 HA THR 89 HA THR 89 11.264 -6.124 4.369 588 HB THR 89 HB THR 89 14.290 -6.234 3.899 589 HG1 THR 89 1HG THR 89 13.006 -6.775 2.021 590 1HG2 THR 89 1HG2 THR 89 12.526 -7.610 5.784 591 2HG2 THR 89 2HG2 THR 89 13.171 -8.761 4.589 592 3HG2 THR 89 3HG2 THR 89 14.285 -7.787 5.577 593 H THR 90 H THR 90 13.451 -3.360 4.476 594 HA THR 90 HA THR 90 13.516 -3.436 7.384 595 HB THR 90 HB THR 90 14.808 -1.763 5.182 596 HG1 THR 90 1HG THR 90 16.534 -3.020 5.910 597 1HG2 THR 90 1HG2 THR 90 14.701 -0.062 6.805 598 2HG2 THR 90 2HG2 THR 90 14.568 -1.220 8.150 599 3HG2 THR 90 3HG2 THR 90 16.141 -0.944 7.366 600 H ALA 91 H ALA 91 12.099 -1.491 4.705 601 HA ALA 91 HA ALA 91 10.770 0.199 6.644 602 1HB ALA 91 1HB ALA 91 11.648 1.289 4.694 603 2HB ALA 91 2HB ALA 91 10.884 0.104 3.607 604 3HB ALA 91 3HB ALA 91 9.878 1.262 4.511 605 H ALA 92 H ALA 92 8.554 0.185 7.096 606 HA ALA 92 HA ALA 92 7.227 -2.298 6.379 607 1HB ALA 92 1HB ALA 92 6.265 -0.085 8.225 608 2HB ALA 92 2HB ALA 92 5.754 -1.789 8.194 609 3HB ALA 92 3HB ALA 92 7.389 -1.360 8.748 610 H CYS 93 H CYS 93 6.699 -1.988 4.169 611 HA CYS 93 HA CYS 93 5.528 0.372 3.227 612 1HB CYS 93 1HB CYS 93 5.261 -2.394 2.053 613 2HB CYS 93 2HB CYS 93 5.062 -0.854 1.213 614 H GLN 94 H GLN 94 3.378 1.046 3.225 615 HA GLN 94 HA GLN 94 1.533 -0.777 4.542 616 1HB GLN 94 1HB GLN 94 1.549 2.245 4.235 617 2HB GLN 94 2HB GLN 94 0.172 1.355 4.906 618 1HG GLN 94 1HG GLN 94 1.465 0.581 6.765 619 2HG GLN 94 2HG GLN 94 2.993 1.053 6.010 620 1HE2 GLN 94 1HE2 GLN 94 2.144 1.776 8.595 621 2HE2 GLN 94 2HE2 GLN 94 1.941 3.494 8.671 622 H VAL 95 H VAL 95 0.081 -1.824 3.261 623 HA VAL 95 HA VAL 95 -0.339 -0.819 0.574 624 HB VAL 95 HB VAL 95 -1.436 -3.312 1.880 625 1HG1 VAL 95 1HG1 VAL 95 -2.555 -3.309 -0.089 626 2HG1 VAL 95 2HG1 VAL 95 -1.408 -2.188 -0.863 627 3HG1 VAL 95 3HG1 VAL 95 -1.011 -3.919 -0.737 628 1HG2 VAL 95 1HG2 VAL 95 0.694 -3.990 2.091 629 2HG2 VAL 95 2HG2 VAL 95 0.690 -4.128 0.317 630 3HG2 VAL 95 3HG2 VAL 95 1.315 -2.653 1.094 631 H GLY 96 H GLY 96 -1.935 0.606 0.154 632 1HA GLY 96 1HA GLY 96 -4.588 0.179 1.115 633 2HA GLY 96 2HA GLY 96 -3.810 1.504 1.956 634 H LEU 97 H LEU 97 -5.987 2.203 0.508 635 HA LEU 97 HA LEU 97 -4.920 3.216 -2.030 636 1HB LEU 97 1HB LEU 97 -7.423 3.623 -2.444 637 2HB LEU 97 2HB LEU 97 -6.765 1.984 -2.594 638 HG LEU 97 HG LEU 97 -8.999 2.160 -1.474 639 1HD1 LEU 97 1HD1 LEU 97 -8.522 0.215 -0.517 640 2HD1 LEU 97 2HD1 LEU 97 -6.806 0.533 -0.872 641 3HD1 LEU 97 3HD1 LEU 97 -7.488 0.993 0.706 642 1HD2 LEU 97 1HD2 LEU 97 -7.542 3.227 0.941 643 2HD2 LEU 97 2HD2 LEU 97 -8.329 4.306 -0.236 644 3HD2 LEU 97 3HD2 LEU 97 -9.292 3.098 0.649 645 H SER 98 H SER 98 -4.757 5.404 -2.387 646 HA SER 98 HA SER 98 -5.443 7.029 -0.076 647 1HB SER 98 1HB SER 98 -3.775 8.607 -0.858 648 2HB SER 98 2HB SER 98 -3.049 6.991 -0.835 649 HG SER 98 HG SER 98 -2.546 8.179 -2.790 650 H ASP 99 H ASP 99 -6.034 9.425 -0.721 651 HA ASP 99 HA ASP 99 -8.363 9.294 -2.210 652 1HB ASP 99 1HB ASP 99 -6.889 11.899 -1.875 653 2HB ASP 99 2HB ASP 99 -8.616 11.565 -1.668 654 HD2 ASP 99 HD2 ASP 99 -7.505 10.059 1.554 655 H ALA 100 H ALA 100 -8.813 10.714 -4.223 656 HA ALA 100 HA ALA 100 -6.782 10.187 -6.183 657 1HB ALA 100 1HB ALA 100 -8.663 11.488 -7.567 658 2HB ALA 100 2HB ALA 100 -8.883 9.795 -7.058 659 3HB ALA 100 3HB ALA 100 -9.636 11.109 -6.126 660 H ALA 101 H ALA 101 -7.192 12.573 -3.866 661 HA ALA 101 HA ALA 101 -6.542 14.833 -5.514 662 1HB ALA 101 1HB ALA 101 -6.199 14.847 -2.541 663 2HB ALA 101 2HB ALA 101 -6.942 16.063 -3.611 664 3HB ALA 101 3HB ALA 101 -7.841 14.587 -3.180 665 H GLY 102 H GLY 102 -4.860 12.150 -4.168 666 1HA GLY 102 1HA GLY 102 -2.616 11.745 -4.677 667 2HA GLY 102 2HA GLY 102 -2.305 13.467 -4.760 668 H ASN 103 H ASN 103 -4.247 12.057 -2.123 669 HA ASN 103 HA ASN 103 -1.949 12.039 -0.393 670 1HB ASN 103 1HB ASN 103 -3.194 13.470 1.305 671 2HB ASN 103 2HB ASN 103 -2.660 14.358 -0.129 672 1HD2 ASN 103 1HD2 ASN 103 -4.635 15.325 1.492 673 2HD2 ASN 103 2HD2 ASN 103 -6.169 15.291 0.688 674 H GLY 104 H GLY 104 -2.606 11.076 1.817 675 1HA GLY 104 1HA GLY 104 -4.860 10.164 2.783 676 2HA GLY 104 2HA GLY 104 -4.720 9.088 1.407 677 HA PRO 105 HA PRO 105 -1.462 8.141 4.754 678 1HB PRO 105 1HB PRO 105 -2.520 8.157 7.272 679 2HB PRO 105 2HB PRO 105 -1.559 9.484 6.622 680 1HG PRO 105 1HG PRO 105 -4.477 9.260 6.999 681 2HG PRO 105 2HG PRO 105 -3.481 10.746 6.801 682 1HD PRO 105 1HD PRO 105 -5.193 9.482 4.885 683 2HD PRO 105 2HD PRO 105 -4.109 10.849 4.592 684 H GLU 106 H GLU 106 -4.524 7.139 4.059 685 HA GLU 106 HA GLU 106 -4.801 4.892 5.581 686 1HB GLU 106 1HB GLU 106 -6.123 6.077 3.445 687 2HB GLU 106 2HB GLU 106 -5.631 4.512 2.776 688 1HG GLU 106 1HG GLU 106 -7.284 3.499 3.923 689 2HG GLU 106 2HG GLU 106 -6.616 4.087 5.453 690 HE2 GLU 106 HE2 GLU 106 -9.824 5.802 3.950 691 H GLY 107 H GLY 107 -3.605 3.053 5.800 692 1HA GLY 107 1HA GLY 107 -2.554 1.604 3.632 693 2HA GLY 107 2HA GLY 107 -1.275 2.584 4.319 694 H VAL 108 H VAL 108 -2.082 -0.461 4.344 695 HA VAL 108 HA VAL 108 -2.062 -0.804 7.255 696 HB VAL 108 HB VAL 108 -3.859 -1.843 5.825 697 1HG1 VAL 108 1HG1 VAL 108 -2.045 -4.065 5.074 698 2HG1 VAL 108 2HG1 VAL 108 -3.439 -3.375 4.210 699 3HG1 VAL 108 3HG1 VAL 108 -1.857 -2.561 4.139 700 1HG2 VAL 108 1HG2 VAL 108 -3.478 -2.653 8.060 701 2HG2 VAL 108 2HG2 VAL 108 -3.725 -4.055 6.992 702 3HG2 VAL 108 3HG2 VAL 108 -2.083 -3.621 7.525 703 H ALA 109 H ALA 109 -0.127 -1.186 8.192 704 HA ALA 109 HA ALA 109 2.211 -1.502 6.724 705 1HB ALA 109 1HB ALA 109 2.103 -2.570 9.506 706 2HB ALA 109 2HB ALA 109 3.210 -1.378 8.778 707 3HB ALA 109 3HB ALA 109 1.578 -0.884 9.288 708 H ILE 110 H ILE 110 2.066 -3.175 5.183 709 HA ILE 110 HA ILE 110 1.414 -5.828 6.156 710 HB ILE 110 HB ILE 110 0.697 -4.649 3.924 711 1HG1 ILE 110 1HG1 ILE 110 0.226 -6.992 4.811 712 2HG1 ILE 110 2HG1 ILE 110 0.117 -6.746 3.060 713 1HG2 ILE 110 1HG2 ILE 110 3.422 -5.775 3.243 714 2HG2 ILE 110 2HG2 ILE 110 2.160 -5.438 2.035 715 3HG2 ILE 110 3HG2 ILE 110 2.829 -4.112 3.016 716 1HD1 ILE 110 1HD1 ILE 110 2.581 -7.540 2.978 717 2HD1 ILE 110 2HD1 ILE 110 2.335 -8.084 4.655 718 3HD1 ILE 110 3HD1 ILE 110 1.351 -8.773 3.342 719 H SER 111 H SER 111 2.871 -7.496 6.439 720 HA SER 111 HA SER 111 5.126 -8.111 5.459 721 1HB SER 111 1HB SER 111 6.275 -6.091 5.408 722 2HB SER 111 2HB SER 111 5.628 -5.548 6.965 723 HG SER 111 HG SER 111 7.637 -7.583 6.509 724 H PHE 112 H PHE 112 4.690 -6.686 8.787 725 HA PHE 112 HA PHE 112 5.281 -7.696 10.745 726 1HB PHE 112 1HB PHE 112 2.713 -8.153 9.643 727 2HB PHE 112 2HB PHE 112 3.182 -9.747 10.243 728 HD1 PHE 112 1HD PHE 112 1.012 -7.581 11.144 729 HD2 PHE 112 2HD PHE 112 4.772 -8.859 12.640 730 HE1 PHE 112 1HE PHE 112 0.325 -6.892 13.460 731 HE2 PHE 112 2HE PHE 112 4.084 -8.173 14.954 732 HZ PHE 112 HZ PHE 112 1.869 -7.197 15.335 733 H ASN 113 H ASN 113 7.343 -8.701 10.439 734 HA ASN 113 HA ASN 113 7.322 -11.390 9.430 735 1HB ASN 113 1HB ASN 113 9.159 -9.838 8.808 736 2HB ASN 113 2HB ASN 113 9.593 -9.640 10.515 737 1HD2 ASN 113 1HD2 ASN 113 10.704 -11.208 11.575 738 2HD2 ASN 113 2HD2 ASN 113 11.410 -12.596 10.814 739 6H NCZ 130 6H NCZ 130 0.962 14.093 1.048 740 6H1 NCZ 130 6H1 NCZ 130 -0.741 11.734 1.211 741 5H1 NCZ 130 5H1 NCZ 130 0.719 12.191 3.368 742 4H1 NCZ 130 4H1 NCZ 130 3.266 11.541 2.542 743 5H NCZ 130 5H NCZ 130 3.272 12.365 -0.997 744 3H1 NCZ 130 3H1 NCZ 130 2.964 10.492 0.362 745 2H1 NCZ 130 2H1 NCZ 130 1.291 11.913 -0.791 746 2H NCZ 130 2H NCZ 130 0.025 9.088 -4.147 747 8H NCZ 130 8H NCZ 130 -0.725 5.966 -4.190 748 7H NCZ 130 7H NCZ 130 -1.481 4.593 -2.278 749 3H NCZ 130 3H NCZ 130 -1.003 4.908 2.391 750 1H17 NCZ 130 1H17 NCZ 130 0.818 8.317 4.670 751 2H17 NCZ 130 2H17 NCZ 130 1.527 8.702 3.084 752 3H17 NCZ 130 3H17 NCZ 130 -0.196 9.021 3.389 753 1H18 NCZ 130 1H18 NCZ 130 -1.532 3.430 -0.870 754 2H18 NCZ 130 2H18 NCZ 130 -1.503 3.182 0.892 755 3H18 NCZ 130 3H18 NCZ 130 -2.834 4.093 0.145 756 1H NCZ 130 1H NCZ 130 0.943 8.384 0.940 Start of MODEL 23 1 H ALA 1 H ALA 1 -14.286 -3.698 14.171 2 HA ALA 1 HA ALA 1 -14.383 -6.071 13.036 3 1HB ALA 1 1HB ALA 1 -16.949 -6.140 12.331 4 2HB ALA 1 2HB ALA 1 -16.388 -6.908 13.836 5 3HB ALA 1 3HB ALA 1 -17.162 -5.306 13.888 6 H ALA 2 H ALA 2 -13.261 -3.631 12.501 7 HA ALA 2 HA ALA 2 -14.033 -3.245 9.802 8 1HB ALA 2 1HB ALA 2 -15.692 -1.748 10.252 9 2HB ALA 2 2HB ALA 2 -15.092 -1.422 11.896 10 3HB ALA 2 3HB ALA 2 -14.335 -0.623 10.497 11 HA PRO 3 HA PRO 3 -9.763 -2.328 10.998 12 1HB PRO 3 1HB PRO 3 -8.540 -4.181 9.406 13 2HB PRO 3 2HB PRO 3 -8.930 -4.472 11.100 14 1HG PRO 3 1HG PRO 3 -10.270 -5.429 8.652 15 2HG PRO 3 2HG PRO 3 -10.366 -6.100 10.320 16 1HD PRO 3 1HD PRO 3 -12.311 -4.536 8.916 17 2HD PRO 3 2HD PRO 3 -12.384 -5.038 10.610 18 H THR 4 H THR 4 -11.743 -1.865 8.503 19 HA THR 4 HA THR 4 -11.664 -0.527 6.730 20 HB THR 4 HB THR 4 -10.344 1.389 6.956 21 HG1 THR 4 1HG THR 4 -8.281 -0.410 8.009 22 1HG2 THR 4 1HG2 THR 4 -9.260 0.360 9.560 23 2HG2 THR 4 2HG2 THR 4 -10.113 1.884 9.215 24 3HG2 THR 4 3HG2 THR 4 -11.034 0.371 9.404 25 H ALA 5 H ALA 5 -9.043 0.241 5.351 26 HA ALA 5 HA ALA 5 -9.025 -2.047 3.636 27 1HB ALA 5 1HB ALA 5 -8.738 -0.192 2.342 28 2HB ALA 5 2HB ALA 5 -7.991 0.741 3.661 29 3HB ALA 5 3HB ALA 5 -7.019 -0.429 2.736 30 H THR 6 H THR 6 -7.942 -3.875 4.175 31 HA THR 6 HA THR 6 -5.168 -3.618 4.975 32 HB THR 6 HB THR 6 -5.766 -5.324 6.906 33 HG1 THR 6 1HG THR 6 -8.027 -5.463 6.156 34 1HG2 THR 6 1HG2 THR 6 -5.325 -2.606 6.971 35 2HG2 THR 6 2HG2 THR 6 -6.990 -2.679 7.592 36 3HG2 THR 6 3HG2 THR 6 -5.692 -3.571 8.420 37 H VAL 7 H VAL 7 -3.930 -5.529 4.622 38 HA VAL 7 HA VAL 7 -4.977 -7.060 2.458 39 HB VAL 7 HB VAL 7 -2.454 -7.696 3.946 40 1HG1 VAL 7 1HG1 VAL 7 -1.931 -8.843 2.095 41 2HG1 VAL 7 2HG1 VAL 7 -3.611 -8.590 1.568 42 3HG1 VAL 7 3HG1 VAL 7 -2.334 -7.466 1.043 43 1HG2 VAL 7 1HG2 VAL 7 -1.687 -5.823 2.047 44 2HG2 VAL 7 2HG2 VAL 7 -3.142 -5.104 2.778 45 3HG2 VAL 7 3HG2 VAL 7 -1.764 -5.568 3.807 46 H THR 8 H THR 8 -5.905 -9.067 2.476 47 HA THR 8 HA THR 8 -7.164 -10.126 4.575 48 HB THR 8 HB THR 8 -6.099 -11.085 1.980 49 HG1 THR 8 1HG THR 8 -8.304 -10.773 2.025 50 1HG2 THR 8 1HG2 THR 8 -5.290 -13.071 2.982 51 2HG2 THR 8 2HG2 THR 8 -6.438 -12.963 4.339 52 3HG2 THR 8 3HG2 THR 8 -7.004 -13.477 2.732 53 HA PRO 9 HA PRO 9 -3.408 -12.539 6.031 54 1HB PRO 9 1HB PRO 9 -0.964 -12.145 4.878 55 2HB PRO 9 2HB PRO 9 -2.049 -13.451 4.413 56 1HG PRO 9 1HG PRO 9 -1.453 -10.904 3.049 57 2HG PRO 9 2HG PRO 9 -2.162 -12.408 2.358 58 1HD PRO 9 1HD PRO 9 -3.489 -9.958 3.022 59 2HD PRO 9 2HD PRO 9 -4.253 -11.464 2.495 60 H SER 10 H SER 10 -0.762 -11.872 6.728 61 HA SER 10 HA SER 10 -1.062 -9.148 7.645 62 1HB SER 10 1HB SER 10 -1.579 -11.396 9.311 63 2HB SER 10 2HB SER 10 -0.018 -10.740 9.832 64 HG SER 10 HG SER 10 -1.136 -8.604 9.895 65 H SER 11 H SER 11 0.909 -12.177 7.504 66 HA SER 11 HA SER 11 3.325 -10.736 7.897 67 1HB SER 11 1HB SER 11 2.819 -13.592 6.969 68 2HB SER 11 2HB SER 11 4.400 -12.946 7.441 69 HG SER 11 HG SER 11 2.445 -13.996 9.010 70 H GLY 12 H GLY 12 3.082 -9.134 6.128 71 1HA GLY 12 1HA GLY 12 2.756 -9.784 3.440 72 2HA GLY 12 2HA GLY 12 3.536 -8.349 4.075 73 H LEU 13 H LEU 13 5.357 -10.569 5.575 74 HA LEU 13 HA LEU 13 7.489 -10.316 3.734 75 1HB LEU 13 1HB LEU 13 8.685 -11.743 5.352 76 2HB LEU 13 2HB LEU 13 7.954 -10.288 6.053 77 HG LEU 13 HG LEU 13 6.039 -12.311 6.378 78 1HD1 LEU 13 1HD1 LEU 13 8.832 -13.373 6.705 79 2HD1 LEU 13 2HD1 LEU 13 7.514 -13.950 7.752 80 3HD1 LEU 13 3HD1 LEU 13 7.397 -14.145 5.985 81 1HD2 LEU 13 1HD2 LEU 13 7.444 -10.410 7.921 82 2HD2 LEU 13 2HD2 LEU 13 5.991 -11.335 8.368 83 3HD2 LEU 13 3HD2 LEU 13 7.606 -11.969 8.764 84 H SER 14 H SER 14 5.838 -11.278 1.996 85 HA SER 14 HA SER 14 6.648 -14.057 1.762 86 1HB SER 14 1HB SER 14 4.025 -13.270 2.338 87 2HB SER 14 2HB SER 14 3.999 -13.573 0.592 88 HG SER 14 HG SER 14 4.215 -15.683 0.948 89 H ASP 15 H ASP 15 7.748 -14.305 -0.146 90 HA ASP 15 HA ASP 15 8.402 -12.483 -1.875 91 1HB ASP 15 1HB ASP 15 8.378 -14.312 -3.683 92 2HB ASP 15 2HB ASP 15 9.261 -14.686 -2.194 93 HD2 ASP 15 HD2 ASP 15 6.680 -16.986 -1.275 94 H GLY 16 H GLY 16 6.827 -10.870 -2.420 95 1HA GLY 16 1HA GLY 16 4.958 -9.968 -3.320 96 2HA GLY 16 2HA GLY 16 5.343 -11.021 -4.667 97 H THR 17 H THR 17 3.752 -11.119 -1.399 98 HA THR 17 HA THR 17 2.193 -13.412 -2.110 99 HB THR 17 HB THR 17 2.975 -11.968 0.238 100 HG1 THR 17 1HG THR 17 1.073 -14.160 -0.196 101 1HG2 THR 17 1HG2 THR 17 0.850 -11.826 1.461 102 2HG2 THR 17 2HG2 THR 17 0.732 -10.778 0.026 103 3HG2 THR 17 3HG2 THR 17 -0.053 -12.376 0.028 104 H VAL 18 H VAL 18 0.363 -13.514 -3.241 105 HA VAL 18 HA VAL 18 -0.933 -10.982 -3.869 106 HB VAL 18 HB VAL 18 -1.744 -13.600 -5.045 107 1HG1 VAL 18 1HG1 VAL 18 -2.891 -12.165 -6.316 108 2HG1 VAL 18 2HG1 VAL 18 -2.021 -10.771 -5.632 109 3HG1 VAL 18 3HG1 VAL 18 -1.340 -11.649 -7.021 110 1HG2 VAL 18 1HG2 VAL 18 0.505 -14.036 -5.320 111 2HG2 VAL 18 2HG2 VAL 18 0.169 -13.084 -6.785 112 3HG2 VAL 18 3HG2 VAL 18 0.946 -12.313 -5.383 113 H VAL 19 H VAL 19 -2.694 -10.331 -2.755 114 HA VAL 19 HA VAL 19 -4.576 -12.341 -1.855 115 HB VAL 19 HB VAL 19 -4.544 -10.996 0.411 116 1HG1 VAL 19 1HG1 VAL 19 -3.772 -13.507 -0.383 117 2HG1 VAL 19 2HG1 VAL 19 -2.290 -12.896 0.390 118 3HG1 VAL 19 3HG1 VAL 19 -3.817 -12.934 1.302 119 1HG2 VAL 19 1HG2 VAL 19 -1.701 -10.686 -0.603 120 2HG2 VAL 19 2HG2 VAL 19 -2.832 -9.392 -0.143 121 3HG2 VAL 19 3HG2 VAL 19 -2.189 -10.496 1.098 122 H LYS 20 H LYS 20 -6.265 -10.717 -0.363 123 HA LYS 20 HA LYS 20 -6.830 -8.528 -2.237 124 1HB LYS 20 1HB LYS 20 -8.771 -10.444 -0.932 125 2HB LYS 20 2HB LYS 20 -9.241 -9.002 -1.851 126 1HG LYS 20 1HG LYS 20 -8.443 -9.894 -3.882 127 2HG LYS 20 2HG LYS 20 -7.398 -11.078 -3.076 128 1HD LYS 20 1HD LYS 20 -9.687 -12.012 -2.140 129 2HD LYS 20 2HD LYS 20 -10.392 -11.144 -3.514 130 1HE LYS 20 1HE LYS 20 -9.256 -12.478 -5.089 131 2HE LYS 20 2HE LYS 20 -8.023 -12.991 -3.928 132 1HZ LYS 20 1HZ LYS 20 -10.471 -13.797 -2.962 133 2HZ LYS 20 2HZ LYS 20 -10.453 -14.208 -4.542 134 3HZ LYS 20 3HZ LYS 20 -9.273 -14.741 -3.546 135 H VAL 21 H VAL 21 -7.136 -6.532 -1.344 136 HA VAL 21 HA VAL 21 -6.941 -6.427 1.568 137 HB VAL 21 HB VAL 21 -6.492 -4.383 -0.615 138 1HG1 VAL 21 1HG1 VAL 21 -5.513 -3.058 1.399 139 2HG1 VAL 21 2HG1 VAL 21 -7.271 -3.052 1.133 140 3HG1 VAL 21 3HG1 VAL 21 -6.563 -4.101 2.386 141 1HG2 VAL 21 1HG2 VAL 21 -4.243 -4.830 1.119 142 2HG2 VAL 21 2HG2 VAL 21 -4.822 -6.395 0.494 143 3HG2 VAL 21 3HG2 VAL 21 -4.379 -5.094 -0.636 144 H ALA 22 H ALA 22 -8.909 -6.518 2.547 145 HA ALA 22 HA ALA 22 -11.195 -5.356 1.201 146 1HB ALA 22 1HB ALA 22 -12.186 -6.253 3.529 147 2HB ALA 22 2HB ALA 22 -11.842 -7.343 2.164 148 3HB ALA 22 3HB ALA 22 -10.679 -7.200 3.506 149 H GLY 23 H GLY 23 -12.216 -3.457 1.781 150 1HA GLY 23 1HA GLY 23 -10.929 -1.930 3.963 151 2HA GLY 23 2HA GLY 23 -11.572 -1.229 2.492 152 H ALA 24 H ALA 24 -12.554 -3.220 5.360 153 HA ALA 24 HA ALA 24 -15.317 -2.562 4.988 154 1HB ALA 24 1HB ALA 24 -15.587 -3.833 7.093 155 2HB ALA 24 2HB ALA 24 -14.582 -4.722 5.923 156 3HB ALA 24 3HB ALA 24 -13.820 -3.877 7.291 157 H GLY 25 H GLY 25 -16.306 -0.718 5.635 158 1HA GLY 25 1HA GLY 25 -16.824 1.032 6.996 159 2HA GLY 25 2HA GLY 25 -15.529 0.586 8.087 160 H LEU 26 H LEU 26 -14.817 0.872 4.633 161 HA LEU 26 HA LEU 26 -13.042 3.068 5.232 162 1HB LEU 26 1HB LEU 26 -12.821 0.881 3.680 163 2HB LEU 26 2HB LEU 26 -13.320 2.072 2.468 164 HG LEU 26 HG LEU 26 -11.119 2.457 2.288 165 1HD1 LEU 26 1HD1 LEU 26 -10.580 4.420 3.244 166 2HD1 LEU 26 2HD1 LEU 26 -12.240 4.338 3.884 167 3HD1 LEU 26 3HD1 LEU 26 -10.868 3.824 4.895 168 1HD2 LEU 26 1HD2 LEU 26 -10.882 1.133 4.981 169 2HD2 LEU 26 2HD2 LEU 26 -10.275 0.594 3.399 170 3HD2 LEU 26 3HD2 LEU 26 -9.496 1.960 4.233 171 H GLN 27 H GLN 27 -13.355 3.972 2.306 172 HA GLN 27 HA GLN 27 -15.333 5.937 2.943 173 1HB GLN 27 1HB GLN 27 -13.459 5.559 0.581 174 2HB GLN 27 2HB GLN 27 -14.590 6.917 0.708 175 1HG GLN 27 1HG GLN 27 -13.175 6.707 3.195 176 2HG GLN 27 2HG GLN 27 -11.975 6.622 1.896 177 1HE2 GLN 27 1HE2 GLN 27 -12.533 8.702 3.884 178 2HE2 GLN 27 2HE2 GLN 27 -12.855 10.165 3.016 179 H ALA 28 H ALA 28 -17.252 4.551 2.960 180 HA ALA 28 HA ALA 28 -17.992 2.964 0.788 181 1HB ALA 28 1HB ALA 28 -19.070 3.871 3.321 182 2HB ALA 28 2HB ALA 28 -20.329 3.932 2.064 183 3HB ALA 28 3HB ALA 28 -19.467 2.408 2.388 184 H GLY 29 H GLY 29 -18.879 3.418 -1.185 185 1HA GLY 29 1HA GLY 29 -20.121 4.603 -2.713 186 2HA GLY 29 2HA GLY 29 -20.220 5.962 -1.612 187 H THR 30 H THR 30 -17.160 5.688 -1.120 188 HA THR 30 HA THR 30 -16.422 7.342 -3.403 189 HB THR 30 HB THR 30 -14.429 6.923 -1.271 190 HG1 THR 30 1HG THR 30 -17.198 7.762 -0.781 191 1HG2 THR 30 1HG2 THR 30 -14.859 8.970 -2.910 192 2HG2 THR 30 2HG2 THR 30 -16.090 9.427 -1.707 193 3HG2 THR 30 3HG2 THR 30 -14.382 9.294 -1.227 194 H ALA 31 H ALA 31 -13.755 7.001 -3.687 195 HA ALA 31 HA ALA 31 -13.097 4.228 -3.909 196 1HB ALA 31 1HB ALA 31 -13.049 5.530 -6.578 197 2HB ALA 31 2HB ALA 31 -13.454 3.853 -6.127 198 3HB ALA 31 3HB ALA 31 -14.670 5.144 -5.950 199 H TYR 32 H TYR 32 -10.841 3.938 -4.439 200 HA TYR 32 HA TYR 32 -9.293 6.345 -4.905 201 1HB TYR 32 1HB TYR 32 -7.937 5.058 -2.812 202 2HB TYR 32 2HB TYR 32 -8.945 6.492 -2.598 203 HD1 TYR 32 1HD TYR 32 -9.798 2.885 -3.205 204 HD2 TYR 32 2HD TYR 32 -10.117 6.268 -0.605 205 HE1 TYR 32 1HE TYR 32 -11.330 1.566 -1.664 206 HE2 TYR 32 2HE TYR 32 -11.647 4.937 0.928 207 HH TYR 32 HH TYR 32 -13.308 2.558 0.189 208 H ASP 33 H ASP 33 -6.810 5.649 -4.885 209 HA ASP 33 HA ASP 33 -6.749 3.318 -6.580 210 1HB ASP 33 1HB ASP 33 -4.903 5.642 -6.014 211 2HB ASP 33 2HB ASP 33 -4.241 4.183 -6.770 212 HD2 ASP 33 HD2 ASP 33 -6.174 4.825 -9.696 213 H VAL 34 H VAL 34 -6.077 1.353 -5.705 214 HA VAL 34 HA VAL 34 -5.066 1.267 -3.041 215 HB VAL 34 HB VAL 34 -5.986 -0.608 -5.130 216 1HG1 VAL 34 1HG1 VAL 34 -4.985 -2.580 -4.100 217 2HG1 VAL 34 2HG1 VAL 34 -3.715 -1.479 -4.687 218 3HG1 VAL 34 3HG1 VAL 34 -4.094 -1.552 -2.951 219 1HG2 VAL 34 1HG2 VAL 34 -7.327 0.239 -3.160 220 2HG2 VAL 34 2HG2 VAL 34 -7.271 -1.531 -3.343 221 3HG2 VAL 34 3HG2 VAL 34 -6.262 -0.733 -2.114 222 H GLY 35 H GLY 35 -2.975 1.022 -2.327 223 1HA GLY 35 1HA GLY 35 -0.861 0.018 -3.880 224 2HA GLY 35 2HA GLY 35 -0.856 1.765 -4.006 225 H GLN 36 H GLN 36 1.072 -0.114 -2.642 226 HA GLN 36 HA GLN 36 0.642 0.568 0.129 227 1HB GLN 36 1HB GLN 36 2.473 -0.959 0.603 228 2HB GLN 36 2HB GLN 36 1.348 -1.747 -0.519 229 1HG GLN 36 1HG GLN 36 3.230 -0.330 -2.115 230 2HG GLN 36 2HG GLN 36 4.174 -1.150 -0.861 231 1HE2 GLN 36 1HE2 GLN 36 4.051 -1.641 -3.717 232 2HE2 GLN 36 2HE2 GLN 36 3.541 -3.279 -3.949 233 H CYS 37 H CYS 37 1.295 2.589 0.740 234 HA CYS 37 HA CYS 37 3.691 3.645 -0.559 235 1HB CYS 37 1HB CYS 37 1.309 4.815 -0.450 236 2HB CYS 37 2HB CYS 37 1.928 5.375 1.107 237 H ALA 38 H ALA 38 5.280 4.756 0.873 238 HA ALA 38 HA ALA 38 5.132 4.804 3.626 239 1HB ALA 38 1HB ALA 38 5.739 2.149 2.502 240 2HB ALA 38 2HB ALA 38 6.966 2.727 3.655 241 3HB ALA 38 3HB ALA 38 5.261 2.608 4.154 242 H TRP 39 H TRP 39 7.345 5.239 4.604 243 HA TRP 39 HA TRP 39 8.758 6.975 2.890 244 1HB TRP 39 1HB TRP 39 10.321 7.151 4.815 245 2HB TRP 39 2HB TRP 39 8.634 7.511 5.186 246 HD1 TRP 39 HD TRP 39 7.407 5.850 6.928 247 HE1 TRP 39 1HE TRP 39 8.196 3.975 8.610 248 HE3 TRP 39 3HE TRP 39 12.077 5.333 4.983 249 HZ2 TRP 39 2HZ TRP 39 10.629 2.518 8.930 250 HZ3 TRP 39 3HZ TRP 39 13.597 3.664 6.040 251 HH2 TRP 39 HH TRP 39 12.939 2.282 7.947 252 H VAL 40 H VAL 40 9.903 6.160 1.170 253 HA VAL 40 HA VAL 40 11.230 3.600 1.475 254 HB VAL 40 HB VAL 40 9.842 4.684 -0.549 255 1HG1 VAL 40 1HG1 VAL 40 11.553 6.485 -0.857 256 2HG1 VAL 40 2HG1 VAL 40 12.733 5.229 -1.301 257 3HG1 VAL 40 3HG1 VAL 40 11.287 5.488 -2.309 258 1HG2 VAL 40 1HG2 VAL 40 10.203 2.603 -1.262 259 2HG2 VAL 40 2HG2 VAL 40 11.831 3.077 -1.805 260 3HG2 VAL 40 3HG2 VAL 40 11.588 2.448 -0.157 261 H ASP 41 H ASP 41 11.967 7.090 0.960 262 HA ASP 41 HA ASP 41 14.758 6.548 0.881 263 1HB ASP 41 1HB ASP 41 13.271 8.538 -0.124 264 2HB ASP 41 2HB ASP 41 13.644 9.297 1.430 265 HD2 ASP 41 HD2 ASP 41 17.167 9.004 0.339 266 H THR 42 H THR 42 15.431 9.033 2.487 267 HA THR 42 HA THR 42 15.473 7.772 5.082 268 HB THR 42 HB THR 42 17.400 9.032 3.878 269 HG1 THR 42 1HG THR 42 17.459 8.549 6.153 270 1HG2 THR 42 1HG2 THR 42 16.479 11.528 5.199 271 2HG2 THR 42 2HG2 THR 42 17.324 11.321 3.647 272 3HG2 THR 42 3HG2 THR 42 15.558 11.122 3.732 273 H GLY 43 H GLY 43 12.873 7.988 4.691 274 1HA GLY 43 1HA GLY 43 11.296 8.726 6.301 275 2HA GLY 43 2HA GLY 43 12.138 10.259 6.423 276 H VAL 44 H VAL 44 12.244 9.486 3.166 277 HA VAL 44 HA VAL 44 10.173 11.386 2.582 278 HB VAL 44 HB VAL 44 11.882 9.759 0.697 279 1HG1 VAL 44 1HG1 VAL 44 9.801 11.686 0.300 280 2HG1 VAL 44 2HG1 VAL 44 11.344 12.402 -0.230 281 3HG1 VAL 44 3HG1 VAL 44 10.798 10.852 -0.916 282 1HG2 VAL 44 1HG2 VAL 44 13.168 11.058 2.483 283 2HG2 VAL 44 2HG2 VAL 44 13.568 11.416 0.785 284 3HG2 VAL 44 3HG2 VAL 44 12.537 12.533 1.711 285 H LEU 45 H LEU 45 8.064 10.839 2.443 286 HA LEU 45 HA LEU 45 7.222 8.167 2.390 287 1HB LEU 45 1HB LEU 45 6.087 10.340 3.215 288 2HB LEU 45 2HB LEU 45 5.495 10.467 1.550 289 HG LEU 45 HG LEU 45 3.919 9.423 3.207 290 1HD1 LEU 45 1HD1 LEU 45 3.507 9.105 0.880 291 2HD1 LEU 45 2HD1 LEU 45 4.761 7.848 0.763 292 3HD1 LEU 45 3HD1 LEU 45 3.271 7.537 1.686 293 1HD2 LEU 45 1HD2 LEU 45 4.307 7.439 4.265 294 2HD2 LEU 45 2HD2 LEU 45 5.441 6.861 3.022 295 3HD2 LEU 45 3HD2 LEU 45 5.968 8.076 4.212 296 H ALA 46 H ALA 46 7.902 6.894 0.702 297 HA ALA 46 HA ALA 46 7.344 7.934 -1.989 298 1HB ALA 46 1HB ALA 46 9.626 6.634 -0.790 299 2HB ALA 46 2HB ALA 46 8.969 5.598 -2.080 300 3HB ALA 46 3HB ALA 46 9.444 7.276 -2.441 301 H CYS 47 H CYS 47 6.176 6.623 -3.467 302 HA CYS 47 HA CYS 47 4.633 4.544 -2.119 303 1HB CYS 47 1HB CYS 47 4.053 6.175 -4.591 304 2HB CYS 47 2HB CYS 47 3.048 4.836 -4.031 305 H ASN 48 H ASN 48 4.124 2.568 -3.484 306 HA ASN 48 HA ASN 48 6.533 1.738 -4.768 307 1HB ASN 48 1HB ASN 48 3.874 0.350 -4.187 308 2HB ASN 48 2HB ASN 48 5.227 -0.470 -4.983 309 1HD2 ASN 48 1HD2 ASN 48 6.003 1.995 -2.730 310 2HD2 ASN 48 2HD2 ASN 48 6.480 1.006 -1.391 311 HA PRO 49 HA PRO 49 4.977 2.138 -8.847 312 1HB PRO 49 1HB PRO 49 6.134 0.046 -10.172 313 2HB PRO 49 2HB PRO 49 6.990 1.539 -9.797 314 1HG PRO 49 1HG PRO 49 7.147 -1.113 -8.514 315 2HG PRO 49 2HG PRO 49 8.337 0.237 -8.454 316 1HD PRO 49 1HD PRO 49 6.499 -0.610 -6.428 317 2HD PRO 49 2HD PRO 49 7.535 0.822 -6.379 318 H ALA 50 H ALA 50 4.221 -0.639 -7.068 319 HA ALA 50 HA ALA 50 2.155 -1.322 -9.036 320 1HB ALA 50 1HB ALA 50 2.681 -3.077 -6.687 321 2HB ALA 50 2HB ALA 50 2.401 -3.501 -8.394 322 3HB ALA 50 3HB ALA 50 4.006 -2.937 -7.868 323 H ASP 51 H ASP 51 2.334 0.953 -6.906 324 HA ASP 51 HA ASP 51 0.264 0.148 -5.098 325 1HB ASP 51 1HB ASP 51 1.087 1.835 -3.845 326 2HB ASP 51 2HB ASP 51 2.334 2.059 -5.080 327 HD2 ASP 51 HD2 ASP 51 0.002 4.999 -4.403 328 H PHE 52 H PHE 52 0.095 0.611 -8.249 329 HA PHE 52 HA PHE 52 -2.064 2.590 -8.204 330 1HB PHE 52 1HB PHE 52 -0.642 1.276 -10.578 331 2HB PHE 52 2HB PHE 52 -1.555 2.788 -10.600 332 HD1 PHE 52 1HD PHE 52 1.609 1.551 -10.856 333 HD2 PHE 52 2HD PHE 52 -0.532 4.496 -8.675 334 HE1 PHE 52 1HE PHE 52 3.738 2.827 -10.492 335 HE2 PHE 52 2HE PHE 52 1.599 5.774 -8.310 336 HZ PHE 52 HZ PHE 52 3.706 4.924 -9.223 337 H SER 53 H SER 53 -3.802 1.293 -7.467 338 HA SER 53 HA SER 53 -4.703 -0.571 -9.481 339 1HB SER 53 1HB SER 53 -3.635 -2.072 -7.950 340 2HB SER 53 2HB SER 53 -4.331 -1.252 -6.539 341 HG SER 53 HG SER 53 -6.386 -2.066 -7.085 342 H SER 54 H SER 54 -6.169 1.265 -9.921 343 HA SER 54 HA SER 54 -7.684 2.582 -8.151 344 1HB SER 54 1HB SER 54 -9.295 2.936 -9.964 345 2HB SER 54 2HB SER 54 -7.639 3.005 -10.598 346 HG SER 54 HG SER 54 -8.928 1.739 -11.999 347 H VAL 55 H VAL 55 -9.576 2.222 -6.942 348 HA VAL 55 HA VAL 55 -11.176 -0.097 -7.414 349 HB VAL 55 HB VAL 55 -10.786 -0.957 -5.059 350 1HG1 VAL 55 1HG1 VAL 55 -9.885 -1.873 -7.347 351 2HG1 VAL 55 2HG1 VAL 55 -8.306 -1.341 -6.717 352 3HG1 VAL 55 3HG1 VAL 55 -9.269 -2.538 -5.816 353 1HG2 VAL 55 1HG2 VAL 55 -7.998 -0.078 -5.026 354 2HG2 VAL 55 2HG2 VAL 55 -9.142 1.274 -4.845 355 3HG2 VAL 55 3HG2 VAL 55 -9.206 -0.105 -3.719 356 H THR 56 H THR 56 -12.953 -0.201 -5.622 357 HA THR 56 HA THR 56 -13.399 2.436 -4.438 358 HB THR 56 HB THR 56 -14.467 1.922 -6.883 359 HG1 THR 56 1HG THR 56 -15.955 3.552 -6.151 360 1HG2 THR 56 1HG2 THR 56 -16.693 1.056 -6.740 361 2HG2 THR 56 2HG2 THR 56 -15.735 -0.108 -5.796 362 3HG2 THR 56 3HG2 THR 56 -16.699 1.136 -4.963 363 H ALA 57 H ALA 57 -15.424 2.354 -2.978 364 HA ALA 57 HA ALA 57 -15.267 -0.199 -1.538 365 1HB ALA 57 1HB ALA 57 -15.083 2.575 -0.758 366 2HB ALA 57 2HB ALA 57 -16.487 1.829 0.042 367 3HB ALA 57 3HB ALA 57 -14.868 1.117 0.239 368 H ASP 58 H ASP 58 -17.140 -1.355 -1.070 369 HA ASP 58 HA ASP 58 -19.327 -0.802 -2.747 370 1HB ASP 58 1HB ASP 58 -19.622 -2.649 -0.404 371 2HB ASP 58 2HB ASP 58 -20.103 -2.899 -2.090 372 HD2 ASP 58 HD2 ASP 58 -16.485 -3.609 -2.588 373 H ALA 59 H ALA 59 -21.607 -0.440 -1.952 374 HA ALA 59 HA ALA 59 -21.953 1.695 -0.360 375 1HB ALA 59 1HB ALA 59 -24.245 0.215 0.124 376 2HB ALA 59 2HB ALA 59 -23.946 1.215 -1.317 377 3HB ALA 59 3HB ALA 59 -23.604 -0.530 -1.359 378 H ASN 60 H ASN 60 -21.241 -1.620 0.636 379 HA ASN 60 HA ASN 60 -21.996 -1.081 3.342 380 1HB ASN 60 1HB ASN 60 -21.850 -3.379 1.860 381 2HB ASN 60 2HB ASN 60 -20.286 -3.461 2.688 382 1HD2 ASN 60 1HD2 ASN 60 -21.173 -5.363 3.683 383 2HD2 ASN 60 2HD2 ASN 60 -22.185 -5.239 5.082 384 H GLY 61 H GLY 61 -19.927 0.641 2.079 385 1HA GLY 61 1HA GLY 61 -17.789 1.348 2.320 386 2HA GLY 61 2HA GLY 61 -18.106 1.032 4.015 387 H SER 62 H SER 62 -17.840 -1.350 1.304 388 HA SER 62 HA SER 62 -15.537 -2.437 2.728 389 1HB SER 62 1HB SER 62 -17.726 -3.858 1.169 390 2HB SER 62 2HB SER 62 -16.247 -4.664 1.722 391 HG SER 62 HG SER 62 -17.942 -3.220 3.549 392 H ALA 63 H ALA 63 -13.674 -2.080 1.583 393 HA ALA 63 HA ALA 63 -13.907 -1.783 -1.316 394 1HB ALA 63 1HB ALA 63 -12.046 -0.414 -1.188 395 2HB ALA 63 2HB ALA 63 -12.747 -0.135 0.424 396 3HB ALA 63 3HB ALA 63 -11.383 -1.263 0.228 397 H SER 64 H SER 64 -13.994 -3.888 -2.115 398 HA SER 64 HA SER 64 -12.097 -5.781 -1.081 399 1HB SER 64 1HB SER 64 -13.258 -7.410 -2.431 400 2HB SER 64 2HB SER 64 -14.482 -6.395 -1.644 401 HG SER 64 HG SER 64 -14.051 -6.849 -4.309 402 H THR 65 H THR 65 -10.065 -4.882 -1.776 403 HA THR 65 HA THR 65 -9.719 -4.759 -4.698 404 HB THR 65 HB THR 65 -8.109 -3.063 -4.294 405 HG1 THR 65 1HG THR 65 -7.282 -2.947 -1.969 406 1HG2 THR 65 1HG2 THR 65 -10.042 -2.901 -1.922 407 2HG2 THR 65 2HG2 THR 65 -8.954 -1.586 -2.423 408 3HG2 THR 65 3HG2 THR 65 -10.259 -2.122 -3.508 409 H SER 66 H SER 66 -7.475 -5.411 -5.462 410 HA SER 66 HA SER 66 -6.471 -7.591 -3.830 411 1HB SER 66 1HB SER 66 -6.657 -9.199 -5.484 412 2HB SER 66 2HB SER 66 -8.121 -8.252 -5.801 413 HG SER 66 HG SER 66 -6.689 -8.808 -7.691 414 H LEU 67 H LEU 67 -4.215 -7.728 -3.836 415 HA LEU 67 HA LEU 67 -2.694 -6.641 -5.989 416 1HB LEU 67 1HB LEU 67 -3.538 -4.765 -4.235 417 2HB LEU 67 2HB LEU 67 -2.006 -5.249 -3.486 418 HG LEU 67 HG LEU 67 -2.014 -3.259 -5.105 419 1HD1 LEU 67 1HD1 LEU 67 0.049 -5.053 -6.162 420 2HD1 LEU 67 2HD1 LEU 67 0.198 -3.535 -5.245 421 3HD1 LEU 67 3HD1 LEU 67 -0.072 -5.069 -4.385 422 1HD2 LEU 67 1HD2 LEU 67 -2.055 -3.597 -7.416 423 2HD2 LEU 67 2HD2 LEU 67 -1.866 -5.360 -7.260 424 3HD2 LEU 67 3HD2 LEU 67 -3.404 -4.587 -6.810 425 H THR 68 H THR 68 -0.256 -6.815 -5.411 426 HA THR 68 HA THR 68 0.045 -9.239 -3.774 427 HB THR 68 HB THR 68 0.560 -9.355 -6.254 428 HG1 THR 68 1HG THR 68 1.701 -10.606 -4.536 429 1HG2 THR 68 1HG2 THR 68 1.534 -6.965 -6.374 430 2HG2 THR 68 2HG2 THR 68 2.952 -7.601 -5.508 431 3HG2 THR 68 3HG2 THR 68 2.535 -8.237 -7.118 432 H VAL 69 H VAL 69 1.615 -9.403 -2.184 433 HA VAL 69 HA VAL 69 2.481 -6.825 -1.180 434 HB VAL 69 HB VAL 69 2.665 -9.608 -0.013 435 1HG1 VAL 69 1HG1 VAL 69 4.307 -8.346 1.093 436 2HG1 VAL 69 2HG1 VAL 69 3.310 -6.872 1.089 437 3HG1 VAL 69 3HG1 VAL 69 2.883 -8.232 2.155 438 1HG2 VAL 69 1HG2 VAL 69 0.716 -7.428 0.765 439 2HG2 VAL 69 2HG2 VAL 69 0.335 -8.670 -0.450 440 3HG2 VAL 69 3HG2 VAL 69 0.698 -9.145 1.225 441 H ARG 70 H ARG 70 4.102 -6.243 -2.717 442 HA ARG 70 HA ARG 70 6.253 -8.108 -3.059 443 1HB ARG 70 1HB ARG 70 7.180 -6.173 -4.503 444 2HB ARG 70 2HB ARG 70 5.672 -6.917 -5.061 445 1HG ARG 70 1HG ARG 70 4.491 -5.006 -4.740 446 2HG ARG 70 2HG ARG 70 5.245 -4.687 -3.166 447 1HD ARG 70 1HD ARG 70 7.224 -4.329 -5.236 448 2HD ARG 70 2HD ARG 70 5.778 -3.417 -5.691 449 HE ARG 70 HE ARG 70 6.147 -1.980 -3.869 450 1HH1 ARG 70 1HH1 ARG 70 8.160 -4.846 -3.536 451 2HH1 ARG 70 2HH1 ARG 70 9.070 -4.208 -2.207 452 1HH2 ARG 70 1HH2 ARG 70 7.345 -1.140 -2.116 453 2HH2 ARG 70 2HH2 ARG 70 8.604 -2.086 -1.393 454 H ARG 71 H ARG 71 8.174 -8.037 -1.906 455 HA ARG 71 HA ARG 71 8.394 -5.906 0.017 456 1HB ARG 71 1HB ARG 71 8.679 -8.174 0.860 457 2HB ARG 71 2HB ARG 71 9.921 -8.530 -0.352 458 1HG ARG 71 1HG ARG 71 10.470 -6.149 1.328 459 2HG ARG 71 2HG ARG 71 10.423 -7.675 2.227 460 1HD ARG 71 1HD ARG 71 12.111 -7.106 -0.250 461 2HD ARG 71 2HD ARG 71 12.720 -7.153 1.410 462 HE ARG 71 HE ARG 71 11.313 -9.590 0.581 463 1HH1 ARG 71 1HH1 ARG 71 14.415 -7.933 0.674 464 2HH1 ARG 71 2HH1 ARG 71 15.342 -9.392 0.551 465 1HH2 ARG 71 1HH2 ARG 71 12.534 -11.514 0.419 466 2HH2 ARG 71 2HH2 ARG 71 14.264 -11.441 0.405 467 H SER 72 H SER 72 10.048 -7.326 -2.829 468 HA SER 72 HA SER 72 12.072 -5.248 -2.595 469 1HB SER 72 1HB SER 72 12.007 -7.997 -3.768 470 2HB SER 72 2HB SER 72 13.017 -6.803 -4.603 471 HG SER 72 HG SER 72 13.178 -7.669 -1.848 472 H PHE 73 H PHE 73 12.010 -3.529 -4.008 473 HA PHE 73 HA PHE 73 11.378 -3.670 -6.672 474 1HB PHE 73 1HB PHE 73 9.099 -3.889 -4.943 475 2HB PHE 73 2HB PHE 73 9.058 -2.233 -5.558 476 HD1 PHE 73 1HD PHE 73 10.322 -5.183 -7.396 477 HD2 PHE 73 2HD PHE 73 7.150 -2.402 -6.944 478 HE1 PHE 73 1HE PHE 73 9.288 -6.018 -9.526 479 HE2 PHE 73 2HE PHE 73 6.116 -3.236 -9.073 480 HZ PHE 73 HZ PHE 73 7.197 -5.033 -10.339 481 H GLU 74 H GLU 74 11.092 -1.453 -7.667 482 HA GLU 74 HA GLU 74 12.657 0.378 -6.129 483 1HB GLU 74 1HB GLU 74 13.221 0.109 -8.454 484 2HB GLU 74 2HB GLU 74 11.560 0.451 -8.969 485 1HG GLU 74 1HG GLU 74 12.252 2.589 -9.222 486 2HG GLU 74 2HG GLU 74 12.223 2.698 -7.457 487 HE2 GLU 74 HE2 GLU 74 15.551 3.597 -8.603 488 H GLY 75 H GLY 75 11.882 2.083 -4.946 489 1HA GLY 75 1HA GLY 75 9.001 2.577 -5.024 490 2HA GLY 75 2HA GLY 75 10.135 3.082 -3.789 491 H PHE 76 H PHE 76 8.378 4.986 -4.657 492 HA PHE 76 HA PHE 76 10.109 6.697 -6.291 493 1HB PHE 76 1HB PHE 76 8.364 6.337 -7.811 494 2HB PHE 76 2HB PHE 76 7.239 5.832 -6.548 495 HD1 PHE 76 1HD PHE 76 8.741 8.755 -8.229 496 HD2 PHE 76 2HD PHE 76 5.710 7.379 -5.598 497 HE1 PHE 76 1HE PHE 76 7.609 10.991 -8.366 498 HE2 PHE 76 2HE PHE 76 4.578 9.616 -5.734 499 HZ PHE 76 HZ PHE 76 5.540 11.394 -7.115 500 H LEU 77 H LEU 77 10.596 8.613 -5.320 501 HA LEU 77 HA LEU 77 9.677 9.160 -2.737 502 1HB LEU 77 1HB LEU 77 10.950 11.078 -4.676 503 2HB LEU 77 2HB LEU 77 10.954 11.172 -2.906 504 HG LEU 77 HG LEU 77 12.187 8.804 -4.276 505 1HD1 LEU 77 1HD1 LEU 77 13.623 11.445 -3.889 506 2HD1 LEU 77 2HD1 LEU 77 14.308 9.930 -4.524 507 3HD1 LEU 77 3HD1 LEU 77 13.062 10.801 -5.453 508 1HD2 LEU 77 1HD2 LEU 77 12.618 10.262 -1.667 509 2HD2 LEU 77 2HD2 LEU 77 12.064 8.592 -1.928 510 3HD2 LEU 77 3HD2 LEU 77 13.749 9.039 -2.289 511 H PHE 78 H PHE 78 8.441 11.081 -2.004 512 HA PHE 78 HA PHE 78 6.023 11.265 -3.491 513 1HB PHE 78 1HB PHE 78 5.381 11.762 -1.336 514 2HB PHE 78 2HB PHE 78 7.076 11.730 -0.843 515 HD1 PHE 78 1HD PHE 78 7.853 13.614 0.215 516 HD2 PHE 78 2HD PHE 78 4.722 14.035 -2.616 517 HE1 PHE 78 1HE PHE 78 7.741 16.074 0.706 518 HE2 PHE 78 2HE PHE 78 4.608 16.493 -2.126 519 HZ PHE 78 HZ PHE 78 6.119 17.483 -0.472 520 H ASP 79 H ASP 79 8.972 13.212 -3.135 521 HA ASP 79 HA ASP 79 8.035 15.665 -3.818 522 1HB ASP 79 1HB ASP 79 10.426 14.843 -3.216 523 2HB ASP 79 2HB ASP 79 10.620 14.523 -4.947 524 HD2 ASP 79 HD2 ASP 79 10.338 18.103 -5.484 525 H GLY 80 H GLY 80 9.397 13.073 -6.000 526 1HA GLY 80 1HA GLY 80 7.549 13.091 -7.984 527 2HA GLY 80 2HA GLY 80 8.568 14.457 -8.387 528 H THR 81 H THR 81 10.976 13.133 -7.034 529 HA THR 81 HA THR 81 11.779 11.610 -9.363 530 HB THR 81 HB THR 81 13.201 12.625 -6.848 531 HG1 THR 81 1HG THR 81 12.536 14.199 -8.482 532 1HG2 THR 81 1HG2 THR 81 14.064 10.709 -8.926 533 2HG2 THR 81 2HG2 THR 81 15.070 12.178 -8.904 534 3HG2 THR 81 3HG2 THR 81 14.897 11.193 -7.430 535 H ARG 82 H ARG 82 12.600 9.469 -9.346 536 HA ARG 82 HA ARG 82 11.181 7.874 -7.447 537 1HB ARG 82 1HB ARG 82 12.586 7.451 -10.053 538 2HB ARG 82 2HB ARG 82 12.549 6.053 -8.967 539 1HG ARG 82 1HG ARG 82 10.289 5.776 -9.203 540 2HG ARG 82 2HG ARG 82 9.966 7.517 -9.283 541 1HD ARG 82 1HD ARG 82 11.086 7.413 -11.625 542 2HD ARG 82 2HD ARG 82 10.893 5.657 -11.505 543 HE ARG 82 HE ARG 82 8.793 7.633 -11.959 544 1HH1 ARG 82 1HH1 ARG 82 9.461 4.424 -10.683 545 2HH1 ARG 82 2HH1 ARG 82 7.841 3.857 -10.904 546 1HH2 ARG 82 1HH2 ARG 82 6.652 6.886 -12.254 547 2HH2 ARG 82 2HH2 ARG 82 6.232 5.268 -11.805 548 H TRP 83 H TRP 83 12.172 6.346 -5.978 549 HA TRP 83 HA TRP 83 14.972 6.999 -5.398 550 1HB TRP 83 1HB TRP 83 13.560 7.519 -3.576 551 2HB TRP 83 2HB TRP 83 12.718 5.971 -3.679 552 HD1 TRP 83 HD TRP 83 13.987 3.839 -2.567 553 HE1 TRP 83 1HE TRP 83 15.985 3.537 -0.870 554 HE3 TRP 83 3HE TRP 83 15.745 8.592 -2.977 555 HZ2 TRP 83 2HZ TRP 83 18.031 5.280 0.088 556 HZ3 TRP 83 3HZ TRP 83 17.747 9.211 -1.626 557 HH2 TRP 83 HH TRP 83 18.882 7.643 -0.133 558 H GLY 84 H GLY 84 13.144 4.115 -4.324 559 1HA GLY 84 1HA GLY 84 13.483 2.174 -6.046 560 2HA GLY 84 2HA GLY 84 15.161 2.427 -5.610 561 H THR 85 H THR 85 15.712 2.378 -3.203 562 HA THR 85 HA THR 85 15.676 1.383 -1.214 563 HB THR 85 HB THR 85 12.681 1.278 -1.830 564 HG1 THR 85 1HG THR 85 14.348 2.776 0.058 565 1HG2 THR 85 1HG2 THR 85 12.742 -0.288 -0.077 566 2HG2 THR 85 2HG2 THR 85 14.279 0.342 0.562 567 3HG2 THR 85 3HG2 THR 85 12.765 1.226 0.858 568 H VAL 86 H VAL 86 13.455 -0.436 -3.433 569 HA VAL 86 HA VAL 86 13.572 -2.522 -4.168 570 HB VAL 86 HB VAL 86 16.300 -2.581 -2.858 571 1HG1 VAL 86 1HG1 VAL 86 16.749 -4.486 -4.371 572 2HG1 VAL 86 2HG1 VAL 86 15.450 -4.839 -3.206 573 3HG1 VAL 86 3HG1 VAL 86 15.049 -4.454 -4.897 574 1HG2 VAL 86 1HG2 VAL 86 16.914 -2.420 -5.423 575 2HG2 VAL 86 2HG2 VAL 86 15.309 -1.654 -5.535 576 3HG2 VAL 86 3HG2 VAL 86 16.558 -0.957 -4.473 577 H ASP 87 H ASP 87 15.605 -3.646 -1.526 578 HA ASP 87 HA ASP 87 13.680 -5.382 -0.620 579 1HB ASP 87 1HB ASP 87 15.528 -4.635 1.499 580 2HB ASP 87 2HB ASP 87 15.434 -6.156 0.598 581 HD2 ASP 87 HD2 ASP 87 18.202 -3.496 -0.335 582 H CYS 88 H CYS 88 11.816 -4.914 0.555 583 HA CYS 88 HA CYS 88 11.676 -2.357 1.900 584 1HB CYS 88 1HB CYS 88 9.885 -3.249 0.361 585 2HB CYS 88 2HB CYS 88 9.487 -4.417 1.623 586 H THR 89 H THR 89 13.549 -4.191 3.031 587 HA THR 89 HA THR 89 12.177 -5.453 5.272 588 HB THR 89 HB THR 89 14.061 -6.517 3.840 589 HG1 THR 89 1HG THR 89 14.855 -7.434 5.860 590 1HG2 THR 89 1HG2 THR 89 15.886 -4.968 5.711 591 2HG2 THR 89 2HG2 THR 89 16.311 -5.887 4.246 592 3HG2 THR 89 3HG2 THR 89 15.507 -4.306 4.102 593 H THR 90 H THR 90 13.906 -2.514 4.462 594 HA THR 90 HA THR 90 14.414 -1.938 7.270 595 HB THR 90 HB THR 90 15.112 -0.666 4.588 596 HG1 THR 90 1HG THR 90 17.071 -1.551 5.234 597 1HG2 THR 90 1HG2 THR 90 14.905 1.323 5.867 598 2HG2 THR 90 2HG2 THR 90 15.279 0.488 7.394 599 3HG2 THR 90 3HG2 THR 90 16.576 0.827 6.224 600 H ALA 91 H ALA 91 12.646 -0.384 4.507 601 HA ALA 91 HA ALA 91 11.138 1.151 6.458 602 1HB ALA 91 1HB ALA 91 11.346 1.166 3.425 603 2HB ALA 91 2HB ALA 91 10.208 2.193 4.331 604 3HB ALA 91 3HB ALA 91 11.962 2.383 4.569 605 H ALA 92 H ALA 92 8.965 0.843 6.924 606 HA ALA 92 HA ALA 92 7.903 -1.720 6.159 607 1HB ALA 92 1HB ALA 92 6.132 -1.134 7.771 608 2HB ALA 92 2HB ALA 92 7.744 -0.864 8.474 609 3HB ALA 92 3HB ALA 92 6.782 0.517 7.896 610 H CYS 93 H CYS 93 6.464 -2.106 4.539 611 HA CYS 93 HA CYS 93 5.596 0.198 3.018 612 1HB CYS 93 1HB CYS 93 4.697 -2.341 1.987 613 2HB CYS 93 2HB CYS 93 5.729 -1.117 1.242 614 H GLN 94 H GLN 94 3.560 1.050 3.307 615 HA GLN 94 HA GLN 94 1.690 -0.597 4.800 616 1HB GLN 94 1HB GLN 94 1.931 2.400 4.388 617 2HB GLN 94 2HB GLN 94 0.494 1.663 5.120 618 1HG GLN 94 1HG GLN 94 1.585 1.197 7.075 619 2HG GLN 94 2HG GLN 94 3.098 0.770 6.261 620 1HE2 GLN 94 1HE2 GLN 94 3.726 2.038 8.289 621 2HE2 GLN 94 2HE2 GLN 94 4.005 3.737 8.093 622 H VAL 95 H VAL 95 0.077 -1.581 3.667 623 HA VAL 95 HA VAL 95 -0.434 -0.692 0.963 624 HB VAL 95 HB VAL 95 -1.747 -2.960 2.454 625 1HG1 VAL 95 1HG1 VAL 95 -2.836 -2.691 0.412 626 2HG1 VAL 95 2HG1 VAL 95 -1.345 -2.215 -0.439 627 3HG1 VAL 95 3HG1 VAL 95 -1.597 -3.913 0.034 628 1HG2 VAL 95 1HG2 VAL 95 1.056 -2.660 1.895 629 2HG2 VAL 95 2HG2 VAL 95 0.200 -4.030 2.641 630 3HG2 VAL 95 3HG2 VAL 95 0.392 -3.956 0.872 631 H GLY 96 H GLY 96 -1.921 0.842 0.524 632 1HA GLY 96 1HA GLY 96 -4.474 0.786 1.906 633 2HA GLY 96 2HA GLY 96 -3.491 2.206 2.208 634 H LEU 97 H LEU 97 -5.939 2.559 0.968 635 HA LEU 97 HA LEU 97 -5.258 2.870 -1.865 636 1HB LEU 97 1HB LEU 97 -7.934 3.392 -1.624 637 2HB LEU 97 2HB LEU 97 -7.202 1.866 -2.155 638 HG LEU 97 HG LEU 97 -8.944 1.484 -0.506 639 1HD1 LEU 97 1HD1 LEU 97 -7.829 -0.241 0.351 640 2HD1 LEU 97 2HD1 LEU 97 -6.383 0.427 -0.444 641 3HD1 LEU 97 3HD1 LEU 97 -6.723 0.819 1.259 642 1HD2 LEU 97 1HD2 LEU 97 -9.301 2.783 1.258 643 2HD2 LEU 97 2HD2 LEU 97 -7.650 2.511 1.863 644 3HD2 LEU 97 3HD2 LEU 97 -7.967 3.820 0.701 645 H SER 98 H SER 98 -4.903 4.877 -2.675 646 HA SER 98 HA SER 98 -5.299 7.058 -0.821 647 1HB SER 98 1HB SER 98 -3.097 6.996 -1.718 648 2HB SER 98 2HB SER 98 -3.680 6.730 -3.371 649 HG SER 98 HG SER 98 -4.217 8.861 -3.562 650 H ASP 99 H ASP 99 -6.483 8.987 -1.409 651 HA ASP 99 HA ASP 99 -8.480 8.420 -3.415 652 1HB ASP 99 1HB ASP 99 -8.606 10.961 -1.876 653 2HB ASP 99 2HB ASP 99 -9.885 9.778 -2.192 654 HD2 ASP 99 HD2 ASP 99 -9.639 8.804 1.064 655 H ALA 100 H ALA 100 -9.127 10.309 -4.903 656 HA ALA 100 HA ALA 100 -6.770 11.459 -6.041 657 1HB ALA 100 1HB ALA 100 -9.499 12.311 -6.903 658 2HB ALA 100 2HB ALA 100 -8.103 11.790 -7.876 659 3HB ALA 100 3HB ALA 100 -9.117 10.581 -7.054 660 H ALA 101 H ALA 101 -8.601 12.246 -3.350 661 HA ALA 101 HA ALA 101 -8.588 15.109 -3.811 662 1HB ALA 101 1HB ALA 101 -9.478 14.956 -1.342 663 2HB ALA 101 2HB ALA 101 -10.522 14.437 -2.687 664 3HB ALA 101 3HB ALA 101 -9.659 13.224 -1.713 665 H GLY 102 H GLY 102 -6.553 12.587 -2.535 666 1HA GLY 102 1HA GLY 102 -4.427 12.732 -1.769 667 2HA GLY 102 2HA GLY 102 -4.498 14.478 -1.894 668 H ASN 103 H ASN 103 -6.681 12.251 -0.054 669 HA ASN 103 HA ASN 103 -6.156 13.877 2.269 670 1HB ASN 103 1HB ASN 103 -8.061 11.512 2.154 671 2HB ASN 103 2HB ASN 103 -8.176 12.958 3.169 672 1HD2 ASN 103 1HD2 ASN 103 -10.360 12.208 1.858 673 2HD2 ASN 103 2HD2 ASN 103 -10.720 13.243 0.517 674 H GLY 104 H GLY 104 -5.129 13.026 4.157 675 1HA GLY 104 1HA GLY 104 -3.202 11.192 4.105 676 2HA GLY 104 2HA GLY 104 -4.179 11.481 5.531 677 HA PRO 105 HA PRO 105 -5.647 7.555 3.258 678 1HB PRO 105 1HB PRO 105 -3.707 6.202 1.890 679 2HB PRO 105 2HB PRO 105 -4.877 7.263 1.107 680 1HG PRO 105 1HG PRO 105 -2.033 7.716 1.745 681 2HG PRO 105 2HG PRO 105 -3.065 8.575 0.547 682 1HD PRO 105 1HD PRO 105 -2.188 9.483 3.116 683 2HD PRO 105 2HD PRO 105 -3.333 10.300 2.044 684 H GLU 106 H GLU 106 -5.958 5.703 4.407 685 HA GLU 106 HA GLU 106 -3.955 5.372 6.450 686 1HB GLU 106 1HB GLU 106 -6.820 4.910 6.189 687 2HB GLU 106 2HB GLU 106 -6.011 3.485 6.863 688 1HG GLU 106 1HG GLU 106 -4.957 5.918 8.059 689 2HG GLU 106 2HG GLU 106 -6.719 5.885 8.214 690 HE2 GLU 106 HE2 GLU 106 -4.558 3.121 10.105 691 H GLY 107 H GLY 107 -2.235 4.081 5.932 692 1HA GLY 107 1HA GLY 107 -2.694 1.802 4.134 693 2HA GLY 107 2HA GLY 107 -1.155 2.545 4.526 694 H VAL 108 H VAL 108 -1.854 -0.315 4.687 695 HA VAL 108 HA VAL 108 -1.782 -0.720 7.592 696 HB VAL 108 HB VAL 108 -3.588 -1.782 6.216 697 1HG1 VAL 108 1HG1 VAL 108 -3.184 -3.417 4.625 698 2HG1 VAL 108 2HG1 VAL 108 -1.843 -2.287 4.318 699 3HG1 VAL 108 3HG1 VAL 108 -1.557 -3.777 5.251 700 1HG2 VAL 108 1HG2 VAL 108 -2.268 -4.168 7.224 701 2HG2 VAL 108 2HG2 VAL 108 -2.087 -2.800 8.347 702 3HG2 VAL 108 3HG2 VAL 108 -3.710 -3.321 7.831 703 H ALA 109 H ALA 109 0.219 -0.938 8.432 704 HA ALA 109 HA ALA 109 2.479 -1.353 6.805 705 1HB ALA 109 1HB ALA 109 3.112 -1.989 9.489 706 2HB ALA 109 2HB ALA 109 3.331 -0.428 8.666 707 3HB ALA 109 3HB ALA 109 1.831 -0.756 9.568 708 H ILE 110 H ILE 110 2.331 -3.252 5.577 709 HA ILE 110 HA ILE 110 1.552 -5.709 6.760 710 HB ILE 110 HB ILE 110 1.447 -4.883 4.305 711 1HG1 ILE 110 1HG1 ILE 110 1.775 -7.348 3.565 712 2HG1 ILE 110 2HG1 ILE 110 2.029 -7.666 5.290 713 1HG2 ILE 110 1HG2 ILE 110 3.286 -5.631 2.891 714 2HG2 ILE 110 2HG2 ILE 110 3.841 -4.411 4.063 715 3HG2 ILE 110 3HG2 ILE 110 4.208 -6.134 4.328 716 1HD1 ILE 110 1HD1 ILE 110 -0.230 -7.768 5.465 717 2HD1 ILE 110 2HD1 ILE 110 -0.241 -6.007 5.213 718 3HD1 ILE 110 3HD1 ILE 110 -0.452 -7.105 3.829 719 H SER 111 H SER 111 2.832 -7.506 7.369 720 HA SER 111 HA SER 111 5.259 -6.766 8.563 721 1HB SER 111 1HB SER 111 3.409 -8.891 8.735 722 2HB SER 111 2HB SER 111 4.945 -9.652 8.279 723 HG SER 111 HG SER 111 4.348 -9.201 10.684 724 H PHE 112 H PHE 112 5.871 -5.954 6.130 725 HA PHE 112 HA PHE 112 6.602 -7.546 4.117 726 1HB PHE 112 1HB PHE 112 8.330 -5.815 3.689 727 2HB PHE 112 2HB PHE 112 6.907 -5.030 4.381 728 HD1 PHE 112 1HD PHE 112 10.159 -6.539 5.419 729 HD2 PHE 112 2HD PHE 112 7.209 -3.579 6.154 730 HE1 PHE 112 1HE PHE 112 11.600 -5.550 7.221 731 HE2 PHE 112 2HE PHE 112 8.650 -2.590 7.954 732 HZ PHE 112 HZ PHE 112 10.828 -3.588 8.468 733 H ASN 113 H ASN 113 8.827 -8.331 3.404 734 HA ASN 113 HA ASN 113 9.844 -9.963 5.531 735 1HB ASN 113 1HB ASN 113 9.381 -10.874 3.229 736 2HB ASN 113 2HB ASN 113 10.652 -9.828 2.577 737 1HD2 ASN 113 1HD2 ASN 113 11.120 -12.231 1.957 738 2HD2 ASN 113 2HD2 ASN 113 12.272 -13.048 2.959 739 6H NCZ 130 6H NCZ 130 1.391 14.294 0.340 740 6H1 NCZ 130 6H1 NCZ 130 -0.379 12.057 0.939 741 5H1 NCZ 130 5H1 NCZ 130 1.445 12.545 2.789 742 4H1 NCZ 130 4H1 NCZ 130 3.781 11.694 1.599 743 5H NCZ 130 5H NCZ 130 3.232 12.312 -1.938 744 3H1 NCZ 130 3H1 NCZ 130 3.060 10.542 -0.426 745 2H1 NCZ 130 2H1 NCZ 130 1.249 11.996 -1.413 746 2H NCZ 130 2H NCZ 130 -0.363 8.844 -4.294 747 8H NCZ 130 8H NCZ 130 -1.120 5.745 -3.921 748 7H NCZ 130 7H NCZ 130 -1.677 4.599 -1.803 749 3H NCZ 130 3H NCZ 130 -0.722 5.408 2.729 750 1H17 NCZ 130 1H17 NCZ 130 1.334 9.019 4.426 751 2H17 NCZ 130 2H17 NCZ 130 1.876 9.221 2.744 752 3H17 NCZ 130 3H17 NCZ 130 0.195 9.594 3.186 753 1H18 NCZ 130 1H18 NCZ 130 -1.586 3.593 -0.281 754 2H18 NCZ 130 2H18 NCZ 130 -1.376 3.537 1.486 755 3H18 NCZ 130 3H18 NCZ 130 -2.776 4.380 0.785 756 1H NCZ 130 1H NCZ 130 1.073 8.680 0.720 Start of MODEL 24 1 H ALA 1 H ALA 1 -15.009 -6.555 11.980 2 HA ALA 1 HA ALA 1 -15.394 -4.384 13.653 3 1HB ALA 1 1HB ALA 1 -12.458 -4.612 12.983 4 2HB ALA 1 2HB ALA 1 -13.261 -3.594 14.201 5 3HB ALA 1 3HB ALA 1 -13.096 -5.345 14.473 6 H ALA 2 H ALA 2 -13.115 -2.891 12.114 7 HA ALA 2 HA ALA 2 -13.795 -3.241 9.370 8 1HB ALA 2 1HB ALA 2 -14.792 -0.908 9.173 9 2HB ALA 2 2HB ALA 2 -15.835 -2.122 9.951 10 3HB ALA 2 3HB ALA 2 -14.973 -0.923 10.944 11 HA PRO 3 HA PRO 3 -9.847 -1.250 10.449 12 1HB PRO 3 1HB PRO 3 -8.169 -3.191 9.513 13 2HB PRO 3 2HB PRO 3 -8.649 -3.068 11.202 14 1HG PRO 3 1HG PRO 3 -9.568 -4.924 9.103 15 2HG PRO 3 2HG PRO 3 -9.689 -5.103 10.890 16 1HD PRO 3 1HD PRO 3 -11.751 -4.423 9.025 17 2HD PRO 3 2HD PRO 3 -11.884 -4.430 10.789 18 H THR 4 H THR 4 -11.490 -0.434 8.476 19 HA THR 4 HA THR 4 -11.577 0.124 6.280 20 HB THR 4 HB THR 4 -10.001 1.893 5.926 21 HG1 THR 4 1HG THR 4 -7.835 1.605 6.670 22 1HG2 THR 4 1HG2 THR 4 -9.737 1.339 8.924 23 2HG2 THR 4 2HG2 THR 4 -9.566 2.911 8.110 24 3HG2 THR 4 3HG2 THR 4 -11.159 2.121 8.194 25 H ALA 5 H ALA 5 -8.727 0.424 4.890 26 HA ALA 5 HA ALA 5 -9.001 -2.125 3.548 27 1HB ALA 5 1HB ALA 5 -7.653 0.515 3.033 28 2HB ALA 5 2HB ALA 5 -7.064 -0.932 2.179 29 3HB ALA 5 3HB ALA 5 -8.757 -0.419 1.996 30 H THR 6 H THR 6 -7.955 -3.879 4.334 31 HA THR 6 HA THR 6 -5.176 -3.531 5.158 32 HB THR 6 HB THR 6 -5.926 -5.170 7.141 33 HG1 THR 6 1HG THR 6 -8.148 -4.863 7.590 34 1HG2 THR 6 1HG2 THR 6 -6.639 -2.189 7.163 35 2HG2 THR 6 2HG2 THR 6 -6.417 -3.213 8.604 36 3HG2 THR 6 3HG2 THR 6 -5.033 -2.858 7.542 37 H VAL 7 H VAL 7 -3.879 -5.389 4.910 38 HA VAL 7 HA VAL 7 -4.918 -7.165 2.903 39 HB VAL 7 HB VAL 7 -2.230 -7.273 4.263 40 1HG1 VAL 7 1HG1 VAL 7 -3.453 -8.757 2.176 41 2HG1 VAL 7 2HG1 VAL 7 -2.210 -7.726 1.423 42 3HG1 VAL 7 3HG1 VAL 7 -1.766 -8.837 2.741 43 1HG2 VAL 7 1HG2 VAL 7 -1.464 -5.426 3.217 44 2HG2 VAL 7 2HG2 VAL 7 -2.414 -5.741 1.745 45 3HG2 VAL 7 3HG2 VAL 7 -3.180 -4.965 3.151 46 H THR 8 H THR 8 -5.572 -9.271 3.161 47 HA THR 8 HA THR 8 -6.630 -10.247 5.389 48 HB THR 8 HB THR 8 -5.427 -11.374 2.914 49 HG1 THR 8 1HG THR 8 -7.718 -11.938 4.664 50 1HG2 THR 8 1HG2 THR 8 -5.545 -13.700 3.618 51 2HG2 THR 8 2HG2 THR 8 -4.441 -12.885 4.753 52 3HG2 THR 8 3HG2 THR 8 -6.116 -13.239 5.239 53 HA PRO 9 HA PRO 9 -2.625 -12.004 7.070 54 1HB PRO 9 1HB PRO 9 -0.260 -11.669 5.744 55 2HB PRO 9 2HB PRO 9 -1.263 -13.108 5.576 56 1HG PRO 9 1HG PRO 9 -0.908 -10.818 3.749 57 2HG PRO 9 2HG PRO 9 -1.529 -12.470 3.376 58 1HD PRO 9 1HD PRO 9 -3.005 -10.032 3.653 59 2HD PRO 9 2HD PRO 9 -3.677 -11.652 3.445 60 H SER 10 H SER 10 -0.011 -11.050 7.503 61 HA SER 10 HA SER 10 -0.364 -8.224 7.823 62 1HB SER 10 1HB SER 10 -0.300 -10.162 10.143 63 2HB SER 10 2HB SER 10 0.321 -8.511 10.340 64 HG SER 10 HG SER 10 -2.351 -9.307 9.547 65 H SER 11 H SER 11 1.625 -10.955 9.201 66 HA SER 11 HA SER 11 3.951 -9.537 8.155 67 1HB SER 11 1HB SER 11 4.513 -9.520 10.355 68 2HB SER 11 2HB SER 11 3.394 -10.833 10.768 69 HG SER 11 HG SER 11 6.110 -10.940 9.881 70 H GLY 12 H GLY 12 5.859 -11.093 7.657 71 1HA GLY 12 1HA GLY 12 6.694 -13.039 6.817 72 2HA GLY 12 2HA GLY 12 5.153 -13.835 7.079 73 H LEU 13 H LEU 13 5.245 -10.711 5.402 74 HA LEU 13 HA LEU 13 4.111 -11.951 3.077 75 1HB LEU 13 1HB LEU 13 4.812 -9.094 3.723 76 2HB LEU 13 2HB LEU 13 3.952 -9.623 2.266 77 HG LEU 13 HG LEU 13 3.011 -9.313 5.065 78 1HD1 LEU 13 1HD1 LEU 13 1.112 -9.245 2.816 79 2HD1 LEU 13 2HD1 LEU 13 1.403 -8.068 4.120 80 3HD1 LEU 13 3HD1 LEU 13 2.460 -8.089 2.688 81 1HD2 LEU 13 1HD2 LEU 13 2.179 -11.624 3.315 82 2HD2 LEU 13 2HD2 LEU 13 2.658 -11.629 5.030 83 3HD2 LEU 13 3HD2 LEU 13 1.094 -10.930 4.546 84 H SER 14 H SER 14 4.986 -11.768 0.897 85 HA SER 14 HA SER 14 7.881 -11.435 0.937 86 1HB SER 14 1HB SER 14 6.935 -13.857 0.777 87 2HB SER 14 2HB SER 14 6.491 -13.420 -0.883 88 HG SER 14 HG SER 14 9.127 -13.459 0.309 89 H ASP 15 H ASP 15 8.818 -10.636 -1.096 90 HA ASP 15 HA ASP 15 7.385 -8.619 -2.230 91 1HB ASP 15 1HB ASP 15 9.151 -9.081 -4.203 92 2HB ASP 15 2HB ASP 15 9.648 -8.390 -2.650 93 HD2 ASP 15 HD2 ASP 15 11.200 -11.761 -3.801 94 H GLY 16 H GLY 16 5.261 -9.612 -2.803 95 1HA GLY 16 1HA GLY 16 4.286 -9.913 -5.068 96 2HA GLY 16 2HA GLY 16 5.375 -11.273 -5.250 97 H THR 17 H THR 17 3.705 -10.361 -2.199 98 HA THR 17 HA THR 17 2.547 -13.020 -2.109 99 HB THR 17 HB THR 17 2.611 -10.680 -0.129 100 HG1 THR 17 1HG THR 17 4.047 -13.216 -0.494 101 1HG2 THR 17 1HG2 THR 17 0.885 -12.084 0.714 102 2HG2 THR 17 2HG2 THR 17 1.628 -13.553 0.033 103 3HG2 THR 17 3HG2 THR 17 2.344 -12.776 1.466 104 H VAL 18 H VAL 18 0.773 -13.345 -3.321 105 HA VAL 18 HA VAL 18 -1.051 -11.223 -3.846 106 HB VAL 18 HB VAL 18 -1.605 -14.145 -4.262 107 1HG1 VAL 18 1HG1 VAL 18 -2.200 -11.672 -5.921 108 2HG1 VAL 18 2HG1 VAL 18 -2.711 -13.336 -6.294 109 3HG1 VAL 18 3HG1 VAL 18 -3.349 -12.511 -4.851 110 1HG2 VAL 18 1HG2 VAL 18 0.534 -14.198 -5.122 111 2HG2 VAL 18 2HG2 VAL 18 -0.382 -13.663 -6.550 112 3HG2 VAL 18 3HG2 VAL 18 0.515 -12.476 -5.575 113 H VAL 19 H VAL 19 -2.586 -10.471 -2.486 114 HA VAL 19 HA VAL 19 -3.967 -12.390 -0.799 115 HB VAL 19 HB VAL 19 -3.698 -10.545 1.054 116 1HG1 VAL 19 1HG1 VAL 19 -2.122 -12.941 0.351 117 2HG1 VAL 19 2HG1 VAL 19 -1.347 -11.853 1.528 118 3HG1 VAL 19 3HG1 VAL 19 -2.965 -12.518 1.860 119 1HG2 VAL 19 1HG2 VAL 19 -1.301 -9.699 1.036 120 2HG2 VAL 19 2HG2 VAL 19 -1.255 -10.138 -0.689 121 3HG2 VAL 19 3HG2 VAL 19 -2.415 -8.917 -0.113 122 H LYS 20 H LYS 20 -5.774 -10.983 0.476 123 HA LYS 20 HA LYS 20 -6.901 -9.199 -1.568 124 1HB LYS 20 1HB LYS 20 -7.965 -11.539 -0.219 125 2HB LYS 20 2HB LYS 20 -9.008 -10.123 0.013 126 1HG LYS 20 1HG LYS 20 -9.239 -9.799 -2.349 127 2HG LYS 20 2HG LYS 20 -7.917 -10.923 -2.718 128 1HD LYS 20 1HD LYS 20 -9.304 -12.775 -1.734 129 2HD LYS 20 2HD LYS 20 -10.639 -11.628 -1.522 130 1HE LYS 20 1HE LYS 20 -11.019 -11.452 -3.820 131 2HE LYS 20 2HE LYS 20 -9.361 -11.905 -4.247 132 1HZ LYS 20 1HZ LYS 20 -11.113 -13.612 -4.623 133 2HZ LYS 20 2HZ LYS 20 -9.834 -14.122 -3.744 134 3HZ LYS 20 3HZ LYS 20 -11.247 -13.772 -3.002 135 H VAL 21 H VAL 21 -7.294 -7.122 -0.982 136 HA VAL 21 HA VAL 21 -6.901 -6.497 1.850 137 HB VAL 21 HB VAL 21 -6.671 -4.877 -0.687 138 1HG1 VAL 21 1HG1 VAL 21 -7.148 -3.994 2.069 139 2HG1 VAL 21 2HG1 VAL 21 -5.681 -3.289 1.349 140 3HG1 VAL 21 3HG1 VAL 21 -7.254 -3.090 0.540 141 1HG2 VAL 21 1HG2 VAL 21 -4.317 -4.587 0.635 142 2HG2 VAL 21 2HG2 VAL 21 -4.775 -6.228 1.150 143 3HG2 VAL 21 3HG2 VAL 21 -4.628 -5.849 -0.582 144 H ALA 22 H ALA 22 -8.794 -6.509 2.964 145 HA ALA 22 HA ALA 22 -11.223 -5.738 1.578 146 1HB ALA 22 1HB ALA 22 -11.639 -7.607 2.880 147 2HB ALA 22 2HB ALA 22 -10.487 -7.116 4.146 148 3HB ALA 22 3HB ALA 22 -12.077 -6.321 4.032 149 H GLY 23 H GLY 23 -12.170 -3.754 1.738 150 1HA GLY 23 1HA GLY 23 -10.920 -1.842 3.605 151 2HA GLY 23 2HA GLY 23 -11.731 -1.446 2.103 152 H ALA 24 H ALA 24 -12.137 -2.298 5.518 153 HA ALA 24 HA ALA 24 -15.032 -2.210 5.281 154 1HB ALA 24 1HB ALA 24 -14.863 -2.724 7.763 155 2HB ALA 24 2HB ALA 24 -14.145 -3.948 6.686 156 3HB ALA 24 3HB ALA 24 -13.097 -2.799 7.551 157 H GLY 25 H GLY 25 -15.820 -0.161 5.009 158 1HA GLY 25 1HA GLY 25 -16.484 1.871 5.822 159 2HA GLY 25 2HA GLY 25 -15.317 1.751 7.126 160 H LEU 26 H LEU 26 -14.435 1.193 3.708 161 HA LEU 26 HA LEU 26 -12.610 3.443 3.907 162 1HB LEU 26 1HB LEU 26 -12.228 0.953 3.053 163 2HB LEU 26 2HB LEU 26 -12.704 1.690 1.512 164 HG LEU 26 HG LEU 26 -10.395 1.840 1.483 165 1HD1 LEU 26 1HD1 LEU 26 -9.913 4.334 2.296 166 2HD1 LEU 26 2HD1 LEU 26 -10.870 3.967 0.842 167 3HD1 LEU 26 3HD1 LEU 26 -11.692 4.370 2.366 168 1HD2 LEU 26 1HD2 LEU 26 -8.950 2.018 3.266 169 2HD2 LEU 26 2HD2 LEU 26 -10.109 2.934 4.260 170 3HD2 LEU 26 3HD2 LEU 26 -10.333 1.185 4.018 171 H GLN 27 H GLN 27 -12.755 3.392 0.766 172 HA GLN 27 HA GLN 27 -14.130 5.719 0.494 173 1HB GLN 27 1HB GLN 27 -13.345 3.536 -1.437 174 2HB GLN 27 2HB GLN 27 -14.265 4.935 -2.018 175 1HG GLN 27 1HG GLN 27 -11.492 4.835 -0.805 176 2HG GLN 27 2HG GLN 27 -11.996 5.564 -2.337 177 1HE2 GLN 27 1HE2 GLN 27 -11.612 5.925 1.060 178 2HE2 GLN 27 2HE2 GLN 27 -12.077 7.586 1.212 179 H ALA 28 H ALA 28 -16.189 5.728 1.497 180 HA ALA 28 HA ALA 28 -18.105 3.742 1.164 181 1HB ALA 28 1HB ALA 28 -19.635 5.840 1.729 182 2HB ALA 28 2HB ALA 28 -18.519 5.168 2.942 183 3HB ALA 28 3HB ALA 28 -18.061 6.621 2.022 184 H GLY 29 H GLY 29 -18.053 3.138 -1.096 185 1HA GLY 29 1HA GLY 29 -19.122 3.126 -3.095 186 2HA GLY 29 2HA GLY 29 -19.955 4.606 -2.664 187 H THR 30 H THR 30 -16.636 5.045 -2.061 188 HA THR 30 HA THR 30 -16.388 6.614 -4.502 189 HB THR 30 HB THR 30 -14.124 6.762 -2.689 190 HG1 THR 30 1HG THR 30 -16.811 7.146 -1.582 191 1HG2 THR 30 1HG2 THR 30 -14.639 8.821 -3.706 192 2HG2 THR 30 2HG2 THR 30 -16.394 8.547 -3.593 193 3HG2 THR 30 3HG2 THR 30 -15.473 9.023 -2.146 194 H ALA 31 H ALA 31 -13.774 6.674 -5.095 195 HA ALA 31 HA ALA 31 -12.878 3.918 -5.354 196 1HB ALA 31 1HB ALA 31 -12.905 5.598 -7.841 197 2HB ALA 31 2HB ALA 31 -12.979 3.829 -7.660 198 3HB ALA 31 3HB ALA 31 -14.423 4.819 -7.335 199 H TYR 32 H TYR 32 -10.818 3.951 -4.619 200 HA TYR 32 HA TYR 32 -9.260 6.390 -5.157 201 1HB TYR 32 1HB TYR 32 -9.568 4.384 -2.891 202 2HB TYR 32 2HB TYR 32 -7.988 5.150 -3.088 203 HD1 TYR 32 1HD TYR 32 -8.508 5.926 -0.684 204 HD2 TYR 32 2HD TYR 32 -10.699 7.264 -4.106 205 HE1 TYR 32 1HE TYR 32 -9.341 7.938 0.627 206 HE2 TYR 32 2HE TYR 32 -11.525 9.273 -2.781 207 HH TYR 32 HH TYR 32 -11.722 9.505 0.196 208 H ASP 33 H ASP 33 -6.726 5.449 -4.499 209 HA ASP 33 HA ASP 33 -6.381 3.405 -6.550 210 1HB ASP 33 1HB ASP 33 -5.413 5.587 -7.155 211 2HB ASP 33 2HB ASP 33 -4.503 5.634 -5.637 212 HD2 ASP 33 HD2 ASP 33 -1.883 4.050 -7.124 213 H VAL 34 H VAL 34 -5.872 1.447 -5.555 214 HA VAL 34 HA VAL 34 -4.832 1.410 -2.892 215 HB VAL 34 HB VAL 34 -5.990 -0.438 -4.839 216 1HG1 VAL 34 1HG1 VAL 34 -4.941 -2.469 -4.022 217 2HG1 VAL 34 2HG1 VAL 34 -3.699 -1.391 -4.703 218 3HG1 VAL 34 3HG1 VAL 34 -3.887 -1.527 -2.937 219 1HG2 VAL 34 1HG2 VAL 34 -6.025 0.052 -1.885 220 2HG2 VAL 34 2HG2 VAL 34 -7.373 -0.067 -3.044 221 3HG2 VAL 34 3HG2 VAL 34 -6.543 -1.540 -2.489 222 H GLY 35 H GLY 35 -2.746 0.930 -2.201 223 1HA GLY 35 1HA GLY 35 -0.724 -0.144 -3.819 224 2HA GLY 35 2HA GLY 35 -0.616 1.604 -3.903 225 H GLN 36 H GLN 36 1.321 -0.252 -2.678 226 HA GLN 36 HA GLN 36 0.940 0.240 0.142 227 1HB GLN 36 1HB GLN 36 3.382 -1.119 -0.945 228 2HB GLN 36 2HB GLN 36 2.466 -1.473 0.530 229 1HG GLN 36 1HG GLN 36 1.323 -3.076 -0.562 230 2HG GLN 36 2HG GLN 36 0.732 -1.891 -1.737 231 1HE2 GLN 36 1HE2 GLN 36 2.927 -1.093 -3.043 232 2HE2 GLN 36 2HE2 GLN 36 3.688 -2.393 -3.896 233 H CYS 37 H CYS 37 1.365 2.424 0.519 234 HA CYS 37 HA CYS 37 3.923 3.407 -0.503 235 1HB CYS 37 1HB CYS 37 1.806 4.614 -1.112 236 2HB CYS 37 2HB CYS 37 1.635 5.050 0.592 237 H ALA 38 H ALA 38 5.071 4.947 1.107 238 HA ALA 38 HA ALA 38 4.564 5.161 3.751 239 1HB ALA 38 1HB ALA 38 6.430 3.053 4.129 240 2HB ALA 38 2HB ALA 38 4.735 3.115 4.663 241 3HB ALA 38 3HB ALA 38 5.143 2.408 3.082 242 H TRP 39 H TRP 39 6.517 5.853 4.996 243 HA TRP 39 HA TRP 39 8.294 7.241 3.255 244 1HB TRP 39 1HB TRP 39 9.280 8.077 5.331 245 2HB TRP 39 2HB TRP 39 7.531 8.294 5.265 246 HD1 TRP 39 HD TRP 39 10.165 6.044 7.031 247 HE1 TRP 39 1HE TRP 39 9.207 5.081 9.292 248 HE3 TRP 39 3HE TRP 39 5.452 7.854 6.418 249 HZ2 TRP 39 2HZ TRP 39 6.644 5.183 10.545 250 HZ3 TRP 39 3HZ TRP 39 3.783 7.377 8.207 251 HH2 TRP 39 HH TRP 39 4.315 6.092 10.216 252 H VAL 40 H VAL 40 10.097 6.367 2.335 253 HA VAL 40 HA VAL 40 11.250 4.018 3.666 254 HB VAL 40 HB VAL 40 10.234 4.005 1.259 255 1HG1 VAL 40 1HG1 VAL 40 11.241 5.193 -0.337 256 2HG1 VAL 40 2HG1 VAL 40 12.265 5.938 0.914 257 3HG1 VAL 40 3HG1 VAL 40 12.820 4.476 0.065 258 1HG2 VAL 40 1HG2 VAL 40 11.146 1.975 1.416 259 2HG2 VAL 40 2HG2 VAL 40 12.671 2.651 0.795 260 3HG2 VAL 40 3HG2 VAL 40 12.381 2.574 2.550 261 H ASP 41 H ASP 41 11.852 7.247 2.244 262 HA ASP 41 HA ASP 41 14.653 6.996 2.816 263 1HB ASP 41 1HB ASP 41 13.032 8.539 1.061 264 2HB ASP 41 2HB ASP 41 13.782 9.700 2.165 265 HD2 ASP 41 HD2 ASP 41 16.385 7.564 0.049 266 H THR 42 H THR 42 15.413 9.486 3.756 267 HA THR 42 HA THR 42 14.821 9.409 6.462 268 HB THR 42 HB THR 42 15.917 11.584 4.611 269 HG1 THR 42 1HG THR 42 17.095 9.532 4.924 270 1HG2 THR 42 1HG2 THR 42 15.906 11.391 7.667 271 2HG2 THR 42 2HG2 THR 42 16.962 12.481 6.736 272 3HG2 THR 42 3HG2 THR 42 15.196 12.702 6.691 273 H GLY 43 H GLY 43 12.543 9.177 6.718 274 1HA GLY 43 1HA GLY 43 10.492 9.967 7.181 275 2HA GLY 43 2HA GLY 43 11.215 11.555 7.330 276 H VAL 44 H VAL 44 11.720 9.939 4.262 277 HA VAL 44 HA VAL 44 9.922 11.867 3.024 278 HB VAL 44 HB VAL 44 11.897 10.006 1.706 279 1HG1 VAL 44 1HG1 VAL 44 10.819 10.860 -0.087 280 2HG1 VAL 44 2HG1 VAL 44 10.155 12.233 0.831 281 3HG1 VAL 44 3HG1 VAL 44 11.826 12.293 0.224 282 1HG2 VAL 44 1HG2 VAL 44 12.367 12.751 2.908 283 2HG2 VAL 44 2HG2 VAL 44 13.189 11.224 3.313 284 3HG2 VAL 44 3HG2 VAL 44 13.458 11.989 1.726 285 H LEU 45 H LEU 45 7.928 11.294 2.334 286 HA LEU 45 HA LEU 45 7.147 8.548 2.542 287 1HB LEU 45 1HB LEU 45 5.826 10.641 3.154 288 2HB LEU 45 2HB LEU 45 5.505 10.803 1.420 289 HG LEU 45 HG LEU 45 4.495 8.511 1.474 290 1HD1 LEU 45 1HD1 LEU 45 5.732 8.313 3.950 291 2HD1 LEU 45 2HD1 LEU 45 4.006 8.493 4.345 292 3HD1 LEU 45 3HD1 LEU 45 4.540 7.184 3.263 293 1HD2 LEU 45 1HD2 LEU 45 2.879 9.970 3.458 294 2HD2 LEU 45 2HD2 LEU 45 3.371 10.925 2.040 295 3HD2 LEU 45 3HD2 LEU 45 2.468 9.408 1.820 296 H ALA 46 H ALA 46 7.633 7.078 1.008 297 HA ALA 46 HA ALA 46 7.468 7.991 -1.779 298 1HB ALA 46 1HB ALA 46 9.395 6.683 -2.323 299 2HB ALA 46 2HB ALA 46 9.828 7.624 -0.876 300 3HB ALA 46 3HB ALA 46 9.403 5.901 -0.723 301 H CYS 47 H CYS 47 6.400 6.602 -3.214 302 HA CYS 47 HA CYS 47 5.104 4.334 -1.891 303 1HB CYS 47 1HB CYS 47 4.116 5.658 -4.400 304 2HB CYS 47 2HB CYS 47 3.236 4.613 -3.276 305 H ASN 48 H ASN 48 4.942 2.326 -3.148 306 HA ASN 48 HA ASN 48 7.266 1.915 -4.708 307 1HB ASN 48 1HB ASN 48 5.006 -0.085 -4.615 308 2HB ASN 48 2HB ASN 48 6.748 -0.379 -4.517 309 1HD2 ASN 48 1HD2 ASN 48 7.212 1.728 -2.584 310 2HD2 ASN 48 2HD2 ASN 48 6.626 1.177 -1.050 311 HA PRO 49 HA PRO 49 5.379 2.127 -8.667 312 1HB PRO 49 1HB PRO 49 6.441 0.037 -10.071 313 2HB PRO 49 2HB PRO 49 7.307 1.542 -9.781 314 1HG PRO 49 1HG PRO 49 7.606 -1.097 -8.497 315 2HG PRO 49 2HG PRO 49 8.780 0.266 -8.548 316 1HD PRO 49 1HD PRO 49 7.134 -0.583 -6.367 317 2HD PRO 49 2HD PRO 49 8.155 0.859 -6.417 318 H ALA 50 H ALA 50 4.671 -0.456 -6.690 319 HA ALA 50 HA ALA 50 2.553 -1.319 -8.530 320 1HB ALA 50 1HB ALA 50 3.916 -3.170 -7.928 321 2HB ALA 50 2HB ALA 50 4.004 -2.658 -6.226 322 3HB ALA 50 3HB ALA 50 2.478 -3.296 -6.885 323 H ASP 51 H ASP 51 2.831 1.127 -6.588 324 HA ASP 51 HA ASP 51 0.798 0.497 -4.674 325 1HB ASP 51 1HB ASP 51 2.280 2.006 -3.741 326 2HB ASP 51 2HB ASP 51 2.613 2.808 -5.282 327 HD2 ASP 51 HD2 ASP 51 0.104 5.139 -4.770 328 H PHE 52 H PHE 52 0.698 0.917 -7.911 329 HA PHE 52 HA PHE 52 -1.578 2.763 -7.876 330 1HB PHE 52 1HB PHE 52 -0.269 1.682 -10.378 331 2HB PHE 52 2HB PHE 52 -0.889 3.309 -10.083 332 HD1 PHE 52 1HD PHE 52 1.924 1.903 -11.047 333 HD2 PHE 52 2HD PHE 52 0.567 4.150 -7.711 334 HE1 PHE 52 1HE PHE 52 4.267 2.704 -10.632 335 HE2 PHE 52 2HE PHE 52 2.909 4.952 -7.298 336 HZ PHE 52 HZ PHE 52 4.731 4.219 -8.764 337 H SER 53 H SER 53 -3.321 1.423 -7.338 338 HA SER 53 HA SER 53 -4.019 -0.433 -9.415 339 1HB SER 53 1HB SER 53 -2.719 -1.580 -7.412 340 2HB SER 53 2HB SER 53 -4.281 -1.453 -6.586 341 HG SER 53 HG SER 53 -3.455 -3.183 -8.597 342 H SER 54 H SER 54 -5.666 1.186 -9.845 343 HA SER 54 HA SER 54 -7.247 2.479 -8.188 344 1HB SER 54 1HB SER 54 -9.027 2.363 -9.904 345 2HB SER 54 2HB SER 54 -7.432 2.611 -10.639 346 HG SER 54 HG SER 54 -8.807 0.072 -10.400 347 H VAL 55 H VAL 55 -9.207 2.133 -6.988 348 HA VAL 55 HA VAL 55 -10.352 -0.499 -6.924 349 HB VAL 55 HB VAL 55 -8.544 0.525 -4.778 350 1HG1 VAL 55 1HG1 VAL 55 -10.566 0.428 -3.526 351 2HG1 VAL 55 2HG1 VAL 55 -11.062 -1.095 -4.305 352 3HG1 VAL 55 3HG1 VAL 55 -9.686 -1.079 -3.177 353 1HG2 VAL 55 1HG2 VAL 55 -7.589 -1.200 -6.063 354 2HG2 VAL 55 2HG2 VAL 55 -8.172 -2.018 -4.594 355 3HG2 VAL 55 3HG2 VAL 55 -9.105 -2.131 -6.106 356 H THR 56 H THR 56 -12.394 -0.517 -5.737 357 HA THR 56 HA THR 56 -13.317 2.115 -4.860 358 HB THR 56 HB THR 56 -13.882 1.000 -7.425 359 HG1 THR 56 1HG THR 56 -15.404 2.924 -7.250 360 1HG2 THR 56 1HG2 THR 56 -16.370 1.122 -5.646 361 2HG2 THR 56 2HG2 THR 56 -16.307 0.731 -7.381 362 3HG2 THR 56 3HG2 THR 56 -15.638 -0.409 -6.187 363 H ALA 57 H ALA 57 -14.846 2.083 -3.232 364 HA ALA 57 HA ALA 57 -15.322 -0.598 -2.140 365 1HB ALA 57 1HB ALA 57 -14.489 0.345 -0.275 366 2HB ALA 57 2HB ALA 57 -14.485 1.959 -1.023 367 3HB ALA 57 3HB ALA 57 -15.952 1.356 -0.216 368 H ASP 58 H ASP 58 -17.431 -1.249 -1.583 369 HA ASP 58 HA ASP 58 -19.436 -0.192 -3.171 370 1HB ASP 58 1HB ASP 58 -20.098 -1.679 -0.639 371 2HB ASP 58 2HB ASP 58 -20.790 -1.876 -2.255 372 HD2 ASP 58 HD2 ASP 58 -17.430 -3.580 -2.746 373 H ALA 59 H ALA 59 -21.551 0.788 -2.342 374 HA ALA 59 HA ALA 59 -21.260 3.114 -1.031 375 1HB ALA 59 1HB ALA 59 -23.541 1.188 -1.386 376 2HB ALA 59 2HB ALA 59 -23.776 2.611 -0.345 377 3HB ALA 59 3HB ALA 59 -23.320 2.824 -2.052 378 H ASN 60 H ASN 60 -21.333 -0.138 0.366 379 HA ASN 60 HA ASN 60 -21.723 0.901 3.004 380 1HB ASN 60 1HB ASN 60 -22.375 -1.473 1.908 381 2HB ASN 60 2HB ASN 60 -20.766 -1.920 2.493 382 1HD2 ASN 60 1HD2 ASN 60 -21.470 -3.306 4.046 383 2HD2 ASN 60 2HD2 ASN 60 -22.301 -2.826 5.487 384 H GLY 61 H GLY 61 -19.388 1.883 1.483 385 1HA GLY 61 1HA GLY 61 -17.135 2.059 1.561 386 2HA GLY 61 2HA GLY 61 -17.385 1.930 3.292 387 H SER 62 H SER 62 -17.936 -0.591 0.753 388 HA SER 62 HA SER 62 -16.032 -2.229 2.222 389 1HB SER 62 1HB SER 62 -17.919 -3.351 0.161 390 2HB SER 62 2HB SER 62 -17.282 -4.119 1.627 391 HG SER 62 HG SER 62 -18.970 -3.388 2.725 392 H ALA 63 H ALA 63 -14.027 -1.876 1.263 393 HA ALA 63 HA ALA 63 -13.938 -1.903 -1.664 394 1HB ALA 63 1HB ALA 63 -12.714 -0.293 0.345 395 2HB ALA 63 2HB ALA 63 -11.423 -1.259 -0.412 396 3HB ALA 63 3HB ALA 63 -12.467 -0.225 -1.418 397 H SER 64 H SER 64 -14.242 -4.235 -1.801 398 HA SER 64 HA SER 64 -12.219 -5.827 -0.524 399 1HB SER 64 1HB SER 64 -13.485 -7.704 -1.775 400 2HB SER 64 2HB SER 64 -14.349 -6.857 -0.480 401 HG SER 64 HG SER 64 -15.749 -6.072 -1.913 402 H THR 65 H THR 65 -10.320 -5.000 -1.661 403 HA THR 65 HA THR 65 -10.247 -5.711 -4.515 404 HB THR 65 HB THR 65 -9.691 -3.436 -4.433 405 HG1 THR 65 1HG THR 65 -7.158 -3.578 -3.949 406 1HG2 THR 65 1HG2 THR 65 -8.299 -3.999 -1.759 407 2HG2 THR 65 2HG2 THR 65 -8.341 -2.420 -2.577 408 3HG2 THR 65 3HG2 THR 65 -9.847 -3.141 -1.962 409 H SER 66 H SER 66 -8.113 -6.529 -5.326 410 HA SER 66 HA SER 66 -6.764 -8.059 -3.257 411 1HB SER 66 1HB SER 66 -6.816 -10.079 -4.556 412 2HB SER 66 2HB SER 66 -8.484 -9.488 -4.455 413 HG SER 66 HG SER 66 -6.927 -9.957 -6.666 414 H LEU 67 H LEU 67 -4.517 -8.137 -3.524 415 HA LEU 67 HA LEU 67 -3.346 -7.657 -6.087 416 1HB LEU 67 1HB LEU 67 -4.064 -5.398 -4.777 417 2HB LEU 67 2HB LEU 67 -2.419 -5.632 -4.163 418 HG LEU 67 HG LEU 67 -2.835 -4.162 -6.263 419 1HD1 LEU 67 1HD1 LEU 67 -0.684 -6.011 -6.994 420 2HD1 LEU 67 2HD1 LEU 67 -0.626 -4.285 -6.566 421 3HD1 LEU 67 3HD1 LEU 67 -0.647 -5.520 -5.284 422 1HD2 LEU 67 1HD2 LEU 67 -2.625 -6.781 -7.733 423 2HD2 LEU 67 2HD2 LEU 67 -4.207 -6.072 -7.327 424 3HD2 LEU 67 3HD2 LEU 67 -3.063 -5.170 -8.347 425 H THR 68 H THR 68 -0.812 -7.488 -5.734 426 HA THR 68 HA THR 68 -0.184 -9.467 -3.648 427 HB THR 68 HB THR 68 0.113 -10.085 -6.107 428 HG1 THR 68 1HG THR 68 2.139 -11.014 -5.515 429 1HG2 THR 68 1HG2 THR 68 1.481 -7.526 -6.143 430 2HG2 THR 68 2HG2 THR 68 2.675 -8.814 -6.443 431 3HG2 THR 68 3HG2 THR 68 1.243 -8.664 -7.493 432 H VAL 69 H VAL 69 1.471 -9.151 -2.193 433 HA VAL 69 HA VAL 69 2.254 -6.374 -1.913 434 HB VAL 69 HB VAL 69 2.880 -8.706 -0.106 435 1HG1 VAL 69 1HG1 VAL 69 2.336 -6.109 1.112 436 2HG1 VAL 69 2HG1 VAL 69 3.730 -7.198 1.312 437 3HG1 VAL 69 3HG1 VAL 69 3.689 -6.044 -0.045 438 1HG2 VAL 69 1HG2 VAL 69 0.843 -8.166 1.149 439 2HG2 VAL 69 2HG2 VAL 69 0.406 -6.944 -0.067 440 3HG2 VAL 69 3HG2 VAL 69 0.457 -8.666 -0.515 441 H ARG 70 H ARG 70 3.717 -6.106 -3.674 442 HA ARG 70 HA ARG 70 5.942 -7.907 -3.770 443 1HB ARG 70 1HB ARG 70 4.771 -5.782 -5.497 444 2HB ARG 70 2HB ARG 70 6.538 -5.904 -5.579 445 1HG ARG 70 1HG ARG 70 6.222 -8.407 -5.952 446 2HG ARG 70 2HG ARG 70 4.488 -8.094 -6.134 447 1HD ARG 70 1HD ARG 70 4.784 -7.380 -8.260 448 2HD ARG 70 2HD ARG 70 6.055 -6.248 -7.775 449 HE ARG 70 HE ARG 70 6.412 -8.913 -8.910 450 1HH1 ARG 70 1HH1 ARG 70 7.894 -6.471 -6.855 451 2HH1 ARG 70 2HH1 ARG 70 9.508 -7.034 -7.133 452 1HH2 ARG 70 1HH2 ARG 70 8.540 -9.656 -9.277 453 2HH2 ARG 70 2HH2 ARG 70 9.879 -8.858 -8.520 454 H ARG 71 H ARG 71 6.443 -7.110 -1.407 455 HA ARG 71 HA ARG 71 7.144 -4.698 -0.649 456 1HB ARG 71 1HB ARG 71 7.440 -7.042 0.497 457 2HB ARG 71 2HB ARG 71 9.102 -6.961 -0.116 458 1HG ARG 71 1HG ARG 71 9.702 -5.417 1.432 459 2HG ARG 71 2HG ARG 71 8.222 -4.469 1.204 460 1HD ARG 71 1HD ARG 71 8.481 -5.465 3.512 461 2HD ARG 71 2HD ARG 71 6.982 -5.940 2.700 462 HE ARG 71 HE ARG 71 7.842 -8.149 2.448 463 1HH1 ARG 71 1HH1 ARG 71 10.232 -5.998 3.877 464 2HH1 ARG 71 2HH1 ARG 71 11.271 -7.285 4.385 465 1HH2 ARG 71 1HH2 ARG 71 9.213 -9.848 3.120 466 2HH2 ARG 71 2HH2 ARG 71 10.690 -9.490 3.953 467 H SER 72 H SER 72 8.820 -6.677 -3.064 468 HA SER 72 HA SER 72 11.072 -4.871 -3.064 469 1HB SER 72 1HB SER 72 10.454 -7.543 -4.297 470 2HB SER 72 2HB SER 72 11.713 -6.544 -5.043 471 HG SER 72 HG SER 72 11.600 -7.488 -2.306 472 H PHE 73 H PHE 73 11.505 -3.394 -4.743 473 HA PHE 73 HA PHE 73 10.666 -3.364 -7.270 474 1HB PHE 73 1HB PHE 73 8.589 -1.722 -6.905 475 2HB PHE 73 2HB PHE 73 8.328 -3.467 -6.802 476 HD1 PHE 73 1HD PHE 73 6.304 -3.057 -5.472 477 HD2 PHE 73 2HD PHE 73 10.122 -1.798 -4.113 478 HE1 PHE 73 1HE PHE 73 5.384 -2.768 -3.153 479 HE2 PHE 73 2HE PHE 73 9.203 -1.510 -1.795 480 HZ PHE 73 HZ PHE 73 6.845 -1.997 -1.343 481 H GLU 74 H GLU 74 10.306 -0.942 -8.143 482 HA GLU 74 HA GLU 74 12.344 0.566 -6.764 483 1HB GLU 74 1HB GLU 74 12.389 0.081 -9.266 484 2HB GLU 74 2HB GLU 74 11.038 1.215 -9.438 485 1HG GLU 74 1HG GLU 74 12.912 2.571 -9.835 486 2HG GLU 74 2HG GLU 74 12.588 2.876 -8.120 487 HE2 GLU 74 HE2 GLU 74 15.318 0.358 -7.624 488 H GLY 75 H GLY 75 11.544 1.806 -5.103 489 1HA GLY 75 1HA GLY 75 8.887 2.916 -5.219 490 2HA GLY 75 2HA GLY 75 10.067 3.084 -3.935 491 H PHE 76 H PHE 76 8.567 5.304 -4.694 492 HA PHE 76 HA PHE 76 10.681 7.003 -5.729 493 1HB PHE 76 1HB PHE 76 8.241 6.149 -7.120 494 2HB PHE 76 2HB PHE 76 8.180 7.893 -6.848 495 HD1 PHE 76 1HD PHE 76 9.913 9.344 -7.846 496 HD2 PHE 76 2HD PHE 76 9.751 5.188 -8.690 497 HE1 PHE 76 1HE PHE 76 11.396 9.691 -9.840 498 HE2 PHE 76 2HE PHE 76 11.234 5.537 -10.684 499 HZ PHE 76 HZ PHE 76 12.040 7.783 -11.235 500 H LEU 77 H LEU 77 10.553 9.173 -4.980 501 HA LEU 77 HA LEU 77 8.764 9.464 -2.709 502 1HB LEU 77 1HB LEU 77 11.068 11.170 -3.640 503 2HB LEU 77 2HB LEU 77 10.187 11.338 -2.111 504 HG LEU 77 HG LEU 77 11.014 9.119 -1.418 505 1HD1 LEU 77 1HD1 LEU 77 12.281 9.163 -4.147 506 2HD1 LEU 77 2HD1 LEU 77 13.009 8.234 -2.814 507 3HD1 LEU 77 3HD1 LEU 77 11.351 7.872 -3.348 508 1HD2 LEU 77 1HD2 LEU 77 12.407 11.524 -1.495 509 2HD2 LEU 77 2HD2 LEU 77 12.772 10.108 -0.479 510 3HD2 LEU 77 3HD2 LEU 77 13.592 10.315 -2.046 511 H PHE 78 H PHE 78 7.291 11.206 -2.466 512 HA PHE 78 HA PHE 78 6.251 12.115 -4.989 513 1HB PHE 78 1HB PHE 78 4.339 12.576 -3.658 514 2HB PHE 78 2HB PHE 78 5.092 11.289 -2.709 515 HD1 PHE 78 1HD PHE 78 4.087 14.753 -2.790 516 HD2 PHE 78 2HD PHE 78 6.436 11.909 -0.692 517 HE1 PHE 78 1HE PHE 78 4.163 16.282 -0.801 518 HE2 PHE 78 2HE PHE 78 6.512 13.439 1.297 519 HZ PHE 78 HZ PHE 78 5.375 15.608 1.218 520 H ASP 79 H ASP 79 8.576 13.223 -2.725 521 HA ASP 79 HA ASP 79 7.946 15.962 -2.842 522 1HB ASP 79 1HB ASP 79 9.860 14.247 -1.565 523 2HB ASP 79 2HB ASP 79 10.768 15.521 -2.392 524 HD2 ASP 79 HD2 ASP 79 9.131 16.331 1.010 525 H GLY 80 H GLY 80 10.197 13.701 -4.550 526 1HA GLY 80 1HA GLY 80 10.175 14.678 -7.029 527 2HA GLY 80 2HA GLY 80 11.242 15.824 -6.241 528 H THR 81 H THR 81 12.117 13.619 -4.259 529 HA THR 81 HA THR 81 14.313 12.695 -5.861 530 HB THR 81 HB THR 81 13.453 12.316 -2.946 531 HG1 THR 81 1HG THR 81 14.200 14.423 -3.319 532 1HG2 THR 81 1HG2 THR 81 14.969 10.460 -3.508 533 2HG2 THR 81 2HG2 THR 81 16.038 11.562 -4.407 534 3HG2 THR 81 3HG2 THR 81 15.904 11.698 -2.638 535 H ARG 82 H ARG 82 15.018 10.318 -5.655 536 HA ARG 82 HA ARG 82 12.649 8.757 -6.299 537 1HB ARG 82 1HB ARG 82 14.094 7.369 -7.696 538 2HB ARG 82 2HB ARG 82 14.365 9.068 -8.127 539 1HG ARG 82 1HG ARG 82 16.374 9.094 -6.658 540 2HG ARG 82 2HG ARG 82 16.112 7.384 -6.270 541 1HD ARG 82 1HD ARG 82 17.636 7.175 -8.004 542 2HD ARG 82 2HD ARG 82 16.135 7.143 -8.942 543 HE ARG 82 HE ARG 82 16.794 9.847 -8.751 544 1HH1 ARG 82 1HH1 ARG 82 18.425 6.963 -9.941 545 2HH1 ARG 82 2HH1 ARG 82 19.353 7.823 -11.124 546 1HH2 ARG 82 1HH2 ARG 82 18.019 10.979 -10.313 547 2HH2 ARG 82 2HH2 ARG 82 19.122 10.122 -11.337 548 H TRP 83 H TRP 83 12.381 6.662 -5.340 549 HA TRP 83 HA TRP 83 14.030 6.262 -2.965 550 1HB TRP 83 1HB TRP 83 11.842 6.262 -2.308 551 2HB TRP 83 2HB TRP 83 11.264 5.488 -3.784 552 HD1 TRP 83 HD TRP 83 14.134 3.596 -2.263 553 HE1 TRP 83 1HE TRP 83 13.360 1.406 -1.007 554 HE3 TRP 83 3HE TRP 83 9.173 4.705 -2.298 555 HZ2 TRP 83 2HZ TRP 83 10.815 0.410 -0.187 556 HZ3 TRP 83 3HZ TRP 83 7.610 3.070 -1.249 557 HH2 TRP 83 HH TRP 83 8.359 0.984 -0.218 558 H GLY 84 H GLY 84 12.248 3.808 -4.899 559 1HA GLY 84 1HA GLY 84 13.036 2.135 -6.239 560 2HA GLY 84 2HA GLY 84 14.676 2.715 -6.031 561 H THR 85 H THR 85 16.027 1.463 -4.816 562 HA THR 85 HA THR 85 16.717 0.157 -3.121 563 HB THR 85 HB THR 85 13.798 -0.008 -2.217 564 HG1 THR 85 1HG THR 85 16.030 1.826 -1.682 565 1HG2 THR 85 1HG2 THR 85 14.808 -0.306 0.015 566 2HG2 THR 85 2HG2 THR 85 15.450 -1.556 -1.075 567 3HG2 THR 85 3HG2 THR 85 16.440 -0.134 -0.671 568 H VAL 86 H VAL 86 13.512 -0.948 -4.412 569 HA VAL 86 HA VAL 86 13.111 -2.734 -5.709 570 HB VAL 86 HB VAL 86 15.855 -3.838 -5.167 571 1HG1 VAL 86 1HG1 VAL 86 13.683 -4.767 -6.632 572 2HG1 VAL 86 2HG1 VAL 86 14.750 -4.052 -7.864 573 3HG1 VAL 86 3HG1 VAL 86 15.369 -5.318 -6.777 574 1HG2 VAL 86 1HG2 VAL 86 15.227 -1.328 -6.483 575 2HG2 VAL 86 2HG2 VAL 86 16.809 -2.046 -6.096 576 3HG2 VAL 86 3HG2 VAL 86 15.983 -2.477 -7.614 577 H ASP 87 H ASP 87 14.299 -2.643 -2.474 578 HA ASP 87 HA ASP 87 12.657 -4.951 -1.901 579 1HB ASP 87 1HB ASP 87 15.280 -5.391 -2.025 580 2HB ASP 87 2HB ASP 87 15.273 -4.644 -0.420 581 HD2 ASP 87 HD2 ASP 87 14.918 -8.037 0.382 582 H CYS 88 H CYS 88 11.144 -4.046 -0.492 583 HA CYS 88 HA CYS 88 11.975 -1.813 1.154 584 1HB CYS 88 1HB CYS 88 9.965 -1.396 0.058 585 2HB CYS 88 2HB CYS 88 9.315 -3.001 0.406 586 H THR 89 H THR 89 13.462 -3.539 2.277 587 HA THR 89 HA THR 89 11.906 -5.078 4.241 588 HB THR 89 HB THR 89 13.562 -6.248 2.677 589 HG1 THR 89 1HG THR 89 14.198 -6.055 5.539 590 1HG2 THR 89 1HG2 THR 89 15.941 -5.821 4.123 591 2HG2 THR 89 2HG2 THR 89 15.628 -5.272 2.459 592 3HG2 THR 89 3HG2 THR 89 15.325 -4.178 3.831 593 H THR 90 H THR 90 13.743 -2.200 3.807 594 HA THR 90 HA THR 90 14.589 -2.137 6.593 595 HB THR 90 HB THR 90 16.102 -1.373 4.743 596 HG1 THR 90 1HG THR 90 16.444 -0.256 6.684 597 1HG2 THR 90 1HG2 THR 90 14.149 -0.379 3.328 598 2HG2 THR 90 2HG2 THR 90 14.192 0.991 4.464 599 3HG2 THR 90 3HG2 THR 90 15.620 0.614 3.471 600 H ALA 91 H ALA 91 12.510 -0.172 4.361 601 HA ALA 91 HA ALA 91 11.340 1.091 6.699 602 1HB ALA 91 1HB ALA 91 12.081 2.248 4.492 603 2HB ALA 91 2HB ALA 91 10.585 1.566 3.807 604 3HB ALA 91 3HB ALA 91 10.501 2.691 5.185 605 H ALA 92 H ALA 92 8.981 1.134 7.010 606 HA ALA 92 HA ALA 92 7.867 -1.473 6.411 607 1HB ALA 92 1HB ALA 92 6.452 0.682 7.963 608 2HB ALA 92 2HB ALA 92 6.458 -1.079 8.216 609 3HB ALA 92 3HB ALA 92 7.876 -0.107 8.680 610 H CYS 93 H CYS 93 6.638 -1.816 4.635 611 HA CYS 93 HA CYS 93 5.617 0.506 3.244 612 1HB CYS 93 1HB CYS 93 4.961 -2.045 2.047 613 2HB CYS 93 2HB CYS 93 5.868 -0.681 1.387 614 H GLN 94 H GLN 94 3.495 1.153 3.454 615 HA GLN 94 HA GLN 94 1.731 -0.724 4.808 616 1HB GLN 94 1HB GLN 94 0.827 1.026 5.940 617 2HB GLN 94 2HB GLN 94 2.332 1.853 5.501 618 1HG GLN 94 1HG GLN 94 1.192 2.715 3.438 619 2HG GLN 94 2HG GLN 94 -0.317 1.962 3.981 620 1HE2 GLN 94 1HE2 GLN 94 2.164 4.351 4.704 621 2HE2 GLN 94 2HE2 GLN 94 1.219 5.371 5.736 622 H VAL 95 H VAL 95 0.081 -1.649 3.663 623 HA VAL 95 HA VAL 95 -0.358 -0.690 0.962 624 HB VAL 95 HB VAL 95 -1.748 -3.034 2.200 625 1HG1 VAL 95 1HG1 VAL 95 -0.942 -3.852 -0.226 626 2HG1 VAL 95 2HG1 VAL 95 -2.439 -2.924 0.028 627 3HG1 VAL 95 3HG1 VAL 95 -0.961 -2.098 -0.520 628 1HG2 VAL 95 1HG2 VAL 95 0.403 -4.307 1.302 629 2HG2 VAL 95 2HG2 VAL 95 1.196 -2.769 1.715 630 3HG2 VAL 95 3HG2 VAL 95 0.318 -3.681 2.967 631 H GLY 96 H GLY 96 -2.157 0.409 0.284 632 1HA GLY 96 1HA GLY 96 -4.673 0.286 1.511 633 2HA GLY 96 2HA GLY 96 -3.814 1.663 2.176 634 H LEU 97 H LEU 97 -6.060 2.277 0.787 635 HA LEU 97 HA LEU 97 -5.111 3.024 -1.887 636 1HB LEU 97 1HB LEU 97 -7.602 3.423 -2.253 637 2HB LEU 97 2HB LEU 97 -7.004 1.755 -2.205 638 HG LEU 97 HG LEU 97 -8.043 2.941 0.328 639 1HD1 LEU 97 1HD1 LEU 97 -9.838 3.711 -0.889 640 2HD1 LEU 97 2HD1 LEU 97 -9.716 2.417 -2.104 641 3HD1 LEU 97 3HD1 LEU 97 -10.371 2.062 -0.488 642 1HD2 LEU 97 1HD2 LEU 97 -9.088 0.503 0.239 643 2HD2 LEU 97 2HD2 LEU 97 -7.770 0.248 -0.931 644 3HD2 LEU 97 3HD2 LEU 97 -7.400 0.790 0.725 645 H SER 98 H SER 98 -4.982 5.173 -2.475 646 HA SER 98 HA SER 98 -5.507 7.016 -0.286 647 1HB SER 98 1HB SER 98 -3.915 8.529 -1.447 648 2HB SER 98 2HB SER 98 -3.171 6.974 -1.035 649 HG SER 98 HG SER 98 -4.223 6.677 -3.482 650 H ASP 99 H ASP 99 -6.323 9.242 -0.937 651 HA ASP 99 HA ASP 99 -8.574 8.939 -2.556 652 1HB ASP 99 1HB ASP 99 -7.432 11.659 -1.963 653 2HB ASP 99 2HB ASP 99 -9.115 11.119 -1.881 654 HD2 ASP 99 HD2 ASP 99 -7.793 9.520 1.283 655 H ALA 100 H ALA 100 -9.041 10.440 -4.508 656 HA ALA 100 HA ALA 100 -6.808 10.299 -6.320 657 1HB ALA 100 1HB ALA 100 -9.653 11.313 -6.720 658 2HB ALA 100 2HB ALA 100 -8.483 10.898 -7.996 659 3HB ALA 100 3HB ALA 100 -9.132 9.624 -6.937 660 H ALA 101 H ALA 101 -7.798 12.466 -3.946 661 HA ALA 101 HA ALA 101 -7.316 14.880 -5.433 662 1HB ALA 101 1HB ALA 101 -7.580 15.910 -3.156 663 2HB ALA 101 2HB ALA 101 -8.954 14.888 -3.643 664 3HB ALA 101 3HB ALA 101 -7.753 14.272 -2.484 665 H GLY 102 H GLY 102 -5.829 14.013 -2.274 666 1HA GLY 102 1HA GLY 102 -3.213 13.600 -3.229 667 2HA GLY 102 2HA GLY 102 -3.408 15.294 -2.829 668 H ASN 103 H ASN 103 -5.129 12.568 -1.231 669 HA ASN 103 HA ASN 103 -3.358 12.795 1.027 670 1HB ASN 103 1HB ASN 103 -6.335 13.443 1.089 671 2HB ASN 103 2HB ASN 103 -5.456 12.981 2.555 672 1HD2 ASN 103 1HD2 ASN 103 -6.107 15.405 0.202 673 2HD2 ASN 103 2HD2 ASN 103 -5.181 16.701 0.883 674 H GLY 104 H GLY 104 -3.998 11.022 2.716 675 1HA GLY 104 1HA GLY 104 -5.860 9.061 2.390 676 2HA GLY 104 2HA GLY 104 -4.564 8.579 1.313 677 HA PRO 105 HA PRO 105 -2.893 8.571 5.768 678 1HB PRO 105 1HB PRO 105 -4.688 8.729 7.822 679 2HB PRO 105 2HB PRO 105 -3.778 10.117 7.226 680 1HG PRO 105 1HG PRO 105 -6.597 9.362 6.786 681 2HG PRO 105 2HG PRO 105 -5.824 10.978 6.593 682 1HD PRO 105 1HD PRO 105 -6.625 9.134 4.555 683 2HD PRO 105 2HD PRO 105 -5.723 10.636 4.322 684 H GLU 106 H GLU 106 -5.413 6.887 4.454 685 HA GLU 106 HA GLU 106 -5.434 4.792 6.354 686 1HB GLU 106 1HB GLU 106 -6.841 5.527 3.921 687 2HB GLU 106 2HB GLU 106 -6.417 3.806 3.887 688 1HG GLU 106 1HG GLU 106 -8.484 3.797 4.987 689 2HG GLU 106 2HG GLU 106 -7.351 3.795 6.348 690 HE2 GLU 106 HE2 GLU 106 -9.721 6.898 5.792 691 H GLY 107 H GLY 107 -4.514 2.663 6.148 692 1HA GLY 107 1HA GLY 107 -3.262 1.337 4.303 693 2HA GLY 107 2HA GLY 107 -2.096 2.633 4.480 694 H VAL 108 H VAL 108 -2.443 -0.457 5.305 695 HA VAL 108 HA VAL 108 -1.555 -0.095 8.077 696 HB VAL 108 HB VAL 108 -3.576 -1.529 7.467 697 1HG1 VAL 108 1HG1 VAL 108 -2.858 -3.933 6.880 698 2HG1 VAL 108 2HG1 VAL 108 -2.908 -2.735 5.565 699 3HG1 VAL 108 3HG1 VAL 108 -1.348 -3.197 6.292 700 1HG2 VAL 108 1HG2 VAL 108 -2.773 -3.402 9.047 701 2HG2 VAL 108 2HG2 VAL 108 -1.240 -2.501 9.119 702 3HG2 VAL 108 3HG2 VAL 108 -2.752 -1.730 9.659 703 H ALA 109 H ALA 109 0.506 -0.678 8.685 704 HA ALA 109 HA ALA 109 2.409 -1.010 6.615 705 1HB ALA 109 1HB ALA 109 2.913 -1.535 9.550 706 2HB ALA 109 2HB ALA 109 3.990 -0.799 8.339 707 3HB ALA 109 3HB ALA 109 2.595 0.115 8.962 708 H ILE 110 H ILE 110 2.029 -2.896 5.418 709 HA ILE 110 HA ILE 110 2.016 -5.386 6.959 710 HB ILE 110 HB ILE 110 0.379 -4.499 4.935 711 1HG1 ILE 110 1HG1 ILE 110 -0.430 -6.855 4.899 712 2HG1 ILE 110 2HG1 ILE 110 0.958 -7.310 5.905 713 1HG2 ILE 110 1HG2 ILE 110 0.832 -6.062 3.042 714 2HG2 ILE 110 2HG2 ILE 110 2.028 -4.755 3.213 715 3HG2 ILE 110 3HG2 ILE 110 2.424 -6.400 3.764 716 1HD1 ILE 110 1HD1 ILE 110 -1.444 -6.593 6.936 717 2HD1 ILE 110 2HD1 ILE 110 0.090 -6.284 7.783 718 3HD1 ILE 110 3HD1 ILE 110 -0.684 -4.987 6.843 719 H SER 111 H SER 111 3.523 -7.052 6.514 720 HA SER 111 HA SER 111 5.221 -7.370 4.562 721 1HB SER 111 1HB SER 111 6.263 -5.320 4.413 722 2HB SER 111 2HB SER 111 6.097 -4.973 6.144 723 HG SER 111 HG SER 111 8.214 -5.444 6.067 724 H PHE 112 H PHE 112 5.606 -6.591 8.098 725 HA PHE 112 HA PHE 112 5.802 -9.310 8.798 726 1HB PHE 112 1HB PHE 112 8.092 -8.471 7.643 727 2HB PHE 112 2HB PHE 112 8.369 -7.724 9.221 728 HD1 PHE 112 1HD PHE 112 7.972 -10.912 7.427 729 HD2 PHE 112 2HD PHE 112 8.932 -9.066 11.125 730 HE1 PHE 112 1HE PHE 112 8.863 -13.096 8.286 731 HE2 PHE 112 2HE PHE 112 9.823 -11.248 11.984 732 HZ PHE 112 HZ PHE 112 9.778 -13.238 10.553 733 H ASN 113 H ASN 113 6.668 -9.466 11.210 734 HA ASN 113 HA ASN 113 5.101 -7.655 12.653 735 1HB ASN 113 1HB ASN 113 6.547 -10.113 13.116 736 2HB ASN 113 2HB ASN 113 6.987 -8.972 14.397 737 1HD2 ASN 113 1HD2 ASN 113 5.556 -11.348 14.785 738 2HD2 ASN 113 2HD2 ASN 113 3.954 -10.980 15.335 739 6H NCZ 130 6H NCZ 130 -2.300 12.066 -0.568 740 6H1 NCZ 130 6H1 NCZ 130 -0.008 10.761 -1.805 741 5H1 NCZ 130 5H1 NCZ 130 -2.316 9.534 -2.191 742 4H1 NCZ 130 4H1 NCZ 130 -2.871 8.461 0.286 743 5H NCZ 130 5H NCZ 130 -1.378 10.820 2.611 744 3H1 NCZ 130 3H1 NCZ 130 -0.830 8.798 1.580 745 2H1 NCZ 130 2H1 NCZ 130 2.016 11.371 -0.504 746 2H NCZ 130 2H NCZ 130 0.426 8.657 -3.811 747 8H NCZ 130 8H NCZ 130 -0.657 5.633 -3.807 748 7H NCZ 130 7H NCZ 130 -1.543 4.377 -1.870 749 3H NCZ 130 3H NCZ 130 -1.001 4.700 2.791 750 1H17 NCZ 130 1H17 NCZ 130 1.198 7.922 5.010 751 2H17 NCZ 130 2H17 NCZ 130 1.932 8.208 3.414 752 3H17 NCZ 130 3H17 NCZ 130 0.256 8.716 3.725 753 1H18 NCZ 130 1H18 NCZ 130 -1.710 3.245 -0.447 754 2H18 NCZ 130 2H18 NCZ 130 -1.694 3.018 1.318 755 3H18 NCZ 130 3H18 NCZ 130 -2.926 4.060 0.566 756 1H NCZ 130 1H NCZ 130 1.301 7.925 1.280 Start of MODEL 25 1 H ALA 1 H ALA 1 -10.364 -5.569 12.088 2 HA ALA 1 HA ALA 1 -12.913 -7.016 12.036 3 1HB ALA 1 1HB ALA 1 -12.645 -6.162 14.187 4 2HB ALA 1 2HB ALA 1 -11.787 -4.710 13.618 5 3HB ALA 1 3HB ALA 1 -13.549 -4.847 13.399 6 H ALA 2 H ALA 2 -12.773 -3.498 12.047 7 HA ALA 2 HA ALA 2 -13.592 -3.513 9.223 8 1HB ALA 2 1HB ALA 2 -15.503 -2.408 9.729 9 2HB ALA 2 2HB ALA 2 -15.238 -3.005 11.384 10 3HB ALA 2 3HB ALA 2 -14.694 -1.372 10.929 11 HA PRO 3 HA PRO 3 -10.193 -0.532 10.322 12 1HB PRO 3 1HB PRO 3 -7.942 -1.947 9.698 13 2HB PRO 3 2HB PRO 3 -8.536 -1.761 11.346 14 1HG PRO 3 1HG PRO 3 -8.705 -4.071 9.519 15 2HG PRO 3 2HG PRO 3 -8.871 -4.044 11.311 16 1HD PRO 3 1HD PRO 3 -10.930 -4.301 9.337 17 2HD PRO 3 2HD PRO 3 -11.156 -4.119 11.082 18 H THR 4 H THR 4 -11.859 -0.413 8.266 19 HA THR 4 HA THR 4 -12.034 -0.009 6.070 20 HB THR 4 HB THR 4 -10.354 1.690 5.305 21 HG1 THR 4 1HG THR 4 -9.080 1.211 7.867 22 1HG2 THR 4 1HG2 THR 4 -11.589 1.778 8.032 23 2HG2 THR 4 2HG2 THR 4 -10.240 2.909 7.771 24 3HG2 THR 4 3HG2 THR 4 -11.671 2.974 6.715 25 H ALA 5 H ALA 5 -9.007 0.312 4.783 26 HA ALA 5 HA ALA 5 -9.253 -2.255 3.491 27 1HB ALA 5 1HB ALA 5 -8.696 -0.692 1.907 28 2HB ALA 5 2HB ALA 5 -7.806 0.324 3.066 29 3HB ALA 5 3HB ALA 5 -7.046 -1.143 2.405 30 H THR 6 H THR 6 -8.221 -4.075 4.138 31 HA THR 6 HA THR 6 -5.637 -3.808 5.455 32 HB THR 6 HB THR 6 -6.671 -5.574 7.168 33 HG1 THR 6 1HG THR 6 -8.925 -5.429 7.189 34 1HG2 THR 6 1HG2 THR 6 -7.959 -3.068 7.915 35 2HG2 THR 6 2HG2 THR 6 -6.524 -3.832 8.637 36 3HG2 THR 6 3HG2 THR 6 -6.341 -2.732 7.250 37 H VAL 7 H VAL 7 -4.295 -5.631 5.255 38 HA VAL 7 HA VAL 7 -5.097 -7.325 3.047 39 HB VAL 7 HB VAL 7 -2.568 -6.544 4.410 40 1HG1 VAL 7 1HG1 VAL 7 -1.290 -8.361 3.551 41 2HG1 VAL 7 2HG1 VAL 7 -2.662 -9.081 4.430 42 3HG1 VAL 7 3HG1 VAL 7 -2.682 -9.009 2.651 43 1HG2 VAL 7 1HG2 VAL 7 -1.909 -6.620 1.864 44 2HG2 VAL 7 2HG2 VAL 7 -3.672 -6.628 1.618 45 3HG2 VAL 7 3HG2 VAL 7 -2.902 -5.288 2.500 46 H THR 8 H THR 8 -6.154 -9.200 3.412 47 HA THR 8 HA THR 8 -6.807 -10.301 5.766 48 HB THR 8 HB THR 8 -6.423 -11.256 2.960 49 HG1 THR 8 1HG THR 8 -8.656 -11.961 3.623 50 1HG2 THR 8 1HG2 THR 8 -5.420 -13.138 4.415 51 2HG2 THR 8 2HG2 THR 8 -7.008 -13.238 5.214 52 3HG2 THR 8 3HG2 THR 8 -6.861 -13.588 3.474 53 HA PRO 9 HA PRO 9 -2.893 -12.832 6.128 54 1HB PRO 9 1HB PRO 9 -0.964 -12.772 4.194 55 2HB PRO 9 2HB PRO 9 -2.236 -13.992 4.251 56 1HG PRO 9 1HG PRO 9 -1.957 -11.621 2.517 57 2HG PRO 9 2HG PRO 9 -2.964 -13.088 2.258 58 1HD PRO 9 1HD PRO 9 -3.803 -10.476 3.075 59 2HD PRO 9 2HD PRO 9 -4.810 -11.927 2.986 60 H SER 10 H SER 10 -0.102 -12.333 5.691 61 HA SER 10 HA SER 10 -0.050 -9.809 7.134 62 1HB SER 10 1HB SER 10 2.129 -10.554 8.004 63 2HB SER 10 2HB SER 10 0.875 -11.764 8.335 64 HG SER 10 HG SER 10 1.730 -13.116 6.787 65 H SER 11 H SER 11 0.920 -11.481 4.198 66 HA SER 11 HA SER 11 2.145 -10.937 2.483 67 1HB SER 11 1HB SER 11 0.499 -8.658 3.148 68 2HB SER 11 2HB SER 11 2.003 -8.085 2.402 69 HG SER 11 HG SER 11 1.222 -10.173 0.934 70 H GLY 12 H GLY 12 3.928 -9.077 1.658 71 1HA GLY 12 1HA GLY 12 5.890 -8.001 2.066 72 2HA GLY 12 2HA GLY 12 5.620 -8.136 3.792 73 H LEU 13 H LEU 13 5.304 -10.915 4.154 74 HA LEU 13 HA LEU 13 7.825 -11.808 4.480 75 1HB LEU 13 1HB LEU 13 6.789 -14.117 4.351 76 2HB LEU 13 2HB LEU 13 6.133 -12.977 5.540 77 HG LEU 13 HG LEU 13 4.642 -12.764 3.095 78 1HD1 LEU 13 1HD1 LEU 13 4.886 -15.591 4.160 79 2HD1 LEU 13 2HD1 LEU 13 3.683 -15.022 2.976 80 3HD1 LEU 13 3HD1 LEU 13 5.414 -15.008 2.563 81 1HD2 LEU 13 1HD2 LEU 13 3.530 -14.065 5.542 82 2HD2 LEU 13 2HD2 LEU 13 4.110 -12.387 5.660 83 3HD2 LEU 13 3HD2 LEU 13 2.835 -12.808 4.491 84 H SER 14 H SER 14 5.889 -11.814 1.485 85 HA SER 14 HA SER 14 8.290 -12.768 0.140 86 1HB SER 14 1HB SER 14 5.795 -14.097 0.276 87 2HB SER 14 2HB SER 14 5.882 -13.419 -1.360 88 HG SER 14 HG SER 14 8.203 -14.720 -0.361 89 H ASP 15 H ASP 15 9.057 -11.165 -1.184 90 HA ASP 15 HA ASP 15 7.688 -8.838 -1.633 91 1HB ASP 15 1HB ASP 15 9.406 -8.465 -3.452 92 2HB ASP 15 2HB ASP 15 10.092 -8.922 -1.885 93 HD2 ASP 15 HD2 ASP 15 10.791 -12.185 -3.292 94 H GLY 16 H GLY 16 5.516 -9.666 -2.375 95 1HA GLY 16 1HA GLY 16 4.484 -9.264 -4.616 96 2HA GLY 16 2HA GLY 16 5.529 -10.542 -5.199 97 H THR 17 H THR 17 3.812 -10.364 -2.024 98 HA THR 17 HA THR 17 2.656 -12.973 -2.583 99 HB THR 17 HB THR 17 2.510 -11.241 -0.065 100 HG1 THR 17 1HG THR 17 4.708 -11.816 -1.107 101 1HG2 THR 17 1HG2 THR 17 2.521 -14.277 -0.464 102 2HG2 THR 17 2HG2 THR 17 2.314 -13.409 1.076 103 3HG2 THR 17 3HG2 THR 17 1.047 -13.324 -0.170 104 H VAL 18 H VAL 18 0.688 -13.283 -3.398 105 HA VAL 18 HA VAL 18 -1.001 -11.034 -3.845 106 HB VAL 18 HB VAL 18 -1.905 -13.861 -4.164 107 1HG1 VAL 18 1HG1 VAL 18 -2.227 -11.260 -5.667 108 2HG1 VAL 18 2HG1 VAL 18 -2.639 -12.828 -6.407 109 3HG1 VAL 18 3HG1 VAL 18 -3.477 -12.292 -4.929 110 1HG2 VAL 18 1HG2 VAL 18 0.485 -12.640 -5.478 111 2HG2 VAL 18 2HG2 VAL 18 0.151 -14.336 -5.053 112 3HG2 VAL 18 3HG2 VAL 18 -0.615 -13.611 -6.487 113 H VAL 19 H VAL 19 -2.484 -10.186 -2.480 114 HA VAL 19 HA VAL 19 -3.679 -11.985 -0.510 115 HB VAL 19 HB VAL 19 -3.182 -10.655 1.297 116 1HG1 VAL 19 1HG1 VAL 19 -1.132 -11.722 0.128 117 2HG1 VAL 19 2HG1 VAL 19 -0.692 -10.051 -0.298 118 3HG1 VAL 19 3HG1 VAL 19 -0.849 -10.522 1.411 119 1HG2 VAL 19 1HG2 VAL 19 -3.057 -8.457 -0.701 120 2HG2 VAL 19 2HG2 VAL 19 -3.760 -8.488 0.936 121 3HG2 VAL 19 3HG2 VAL 19 -2.002 -8.293 0.725 122 H LYS 20 H LYS 20 -5.550 -10.593 0.656 123 HA LYS 20 HA LYS 20 -6.916 -9.155 -1.513 124 1HB LYS 20 1HB LYS 20 -7.753 -11.490 -0.916 125 2HB LYS 20 2HB LYS 20 -8.313 -10.786 0.612 126 1HG LYS 20 1HG LYS 20 -9.869 -9.390 -0.466 127 2HG LYS 20 2HG LYS 20 -9.028 -9.471 -2.023 128 1HD LYS 20 1HD LYS 20 -10.816 -10.889 -2.435 129 2HD LYS 20 2HD LYS 20 -9.637 -12.066 -1.830 130 1HE LYS 20 1HE LYS 20 -11.027 -10.910 0.415 131 2HE LYS 20 2HE LYS 20 -12.233 -11.424 -0.773 132 1HZ LYS 20 1HZ LYS 20 -10.641 -13.498 -0.786 133 2HZ LYS 20 2HZ LYS 20 -10.357 -13.000 0.743 134 3HZ LYS 20 3HZ LYS 20 -11.877 -13.360 0.273 135 H VAL 21 H VAL 21 -7.111 -7.031 -1.081 136 HA VAL 21 HA VAL 21 -6.890 -6.182 1.689 137 HB VAL 21 HB VAL 21 -6.890 -4.703 -0.947 138 1HG1 VAL 21 1HG1 VAL 21 -7.863 -3.388 0.975 139 2HG1 VAL 21 2HG1 VAL 21 -6.290 -3.550 1.793 140 3HG1 VAL 21 3HG1 VAL 21 -6.402 -2.684 0.240 141 1HG2 VAL 21 1HG2 VAL 21 -4.561 -4.508 -0.722 142 2HG2 VAL 21 2HG2 VAL 21 -4.594 -4.963 0.997 143 3HG2 VAL 21 3HG2 VAL 21 -4.901 -6.192 -0.254 144 H ALA 22 H ALA 22 -8.813 -6.498 2.761 145 HA ALA 22 HA ALA 22 -11.282 -5.850 1.387 146 1HB ALA 22 1HB ALA 22 -12.227 -7.267 2.885 147 2HB ALA 22 2HB ALA 22 -10.553 -7.769 3.225 148 3HB ALA 22 3HB ALA 22 -11.345 -6.556 4.259 149 H GLY 23 H GLY 23 -12.263 -3.892 1.510 150 1HA GLY 23 1HA GLY 23 -11.209 -1.981 3.485 151 2HA GLY 23 2HA GLY 23 -12.003 -1.589 1.974 152 H ALA 24 H ALA 24 -12.410 -2.059 5.362 153 HA ALA 24 HA ALA 24 -15.315 -2.311 5.056 154 1HB ALA 24 1HB ALA 24 -15.202 -2.850 7.518 155 2HB ALA 24 2HB ALA 24 -14.341 -4.007 6.476 156 3HB ALA 24 3HB ALA 24 -13.427 -2.786 7.394 157 H GLY 25 H GLY 25 -16.053 -0.240 4.641 158 1HA GLY 25 1HA GLY 25 -16.796 1.801 5.305 159 2HA GLY 25 2HA GLY 25 -15.933 1.631 6.820 160 H LEU 26 H LEU 26 -14.582 1.352 3.480 161 HA LEU 26 HA LEU 26 -12.620 3.362 4.204 162 1HB LEU 26 1HB LEU 26 -12.022 1.169 3.205 163 2HB LEU 26 2HB LEU 26 -12.822 1.676 1.708 164 HG LEU 26 HG LEU 26 -11.044 2.851 1.047 165 1HD1 LEU 26 1HD1 LEU 26 -10.766 3.906 3.874 166 2HD1 LEU 26 2HD1 LEU 26 -9.805 4.447 2.477 167 3HD1 LEU 26 3HD1 LEU 26 -11.566 4.708 2.500 168 1HD2 LEU 26 1HD2 LEU 26 -9.643 1.112 1.462 169 2HD2 LEU 26 2HD2 LEU 26 -8.889 2.319 2.530 170 3HD2 LEU 26 3HD2 LEU 26 -9.988 1.094 3.207 171 H GLN 27 H GLN 27 -12.919 3.404 0.873 172 HA GLN 27 HA GLN 27 -13.445 5.972 0.591 173 1HB GLN 27 1HB GLN 27 -14.350 3.671 -1.170 174 2HB GLN 27 2HB GLN 27 -14.451 5.363 -1.687 175 1HG GLN 27 1HG GLN 27 -11.944 3.827 -0.895 176 2HG GLN 27 2HG GLN 27 -12.368 4.372 -2.523 177 1HE2 GLN 27 1HE2 GLN 27 -12.255 6.545 -3.049 178 2HE2 GLN 27 2HE2 GLN 27 -11.367 7.703 -2.115 179 H ALA 28 H ALA 28 -15.779 3.488 1.507 180 HA ALA 28 HA ALA 28 -17.897 3.581 2.134 181 1HB ALA 28 1HB ALA 28 -18.170 6.505 2.299 182 2HB ALA 28 2HB ALA 28 -18.326 5.271 3.572 183 3HB ALA 28 3HB ALA 28 -16.718 5.891 3.126 184 H GLY 29 H GLY 29 -17.029 3.864 -0.750 185 1HA GLY 29 1HA GLY 29 -18.908 3.591 -2.348 186 2HA GLY 29 2HA GLY 29 -19.482 5.151 -1.793 187 H THR 30 H THR 30 -16.369 5.813 -1.480 188 HA THR 30 HA THR 30 -16.187 6.981 -4.122 189 HB THR 30 HB THR 30 -13.991 7.269 -2.106 190 HG1 THR 30 1HG THR 30 -15.594 8.645 -0.872 191 1HG2 THR 30 1HG2 THR 30 -14.234 8.804 -4.091 192 2HG2 THR 30 2HG2 THR 30 -15.848 9.269 -3.499 193 3HG2 THR 30 3HG2 THR 30 -14.399 9.676 -2.549 194 H ALA 31 H ALA 31 -13.411 7.058 -4.503 195 HA ALA 31 HA ALA 31 -12.516 4.309 -4.558 196 1HB ALA 31 1HB ALA 31 -14.034 5.094 -6.670 197 2HB ALA 31 2HB ALA 31 -12.435 5.655 -7.215 198 3HB ALA 31 3HB ALA 31 -12.686 3.940 -6.807 199 H TYR 32 H TYR 32 -10.225 4.154 -4.905 200 HA TYR 32 HA TYR 32 -8.786 6.635 -5.332 201 1HB TYR 32 1HB TYR 32 -9.006 4.972 -2.788 202 2HB TYR 32 2HB TYR 32 -7.455 5.743 -3.138 203 HD1 TYR 32 1HD TYR 32 -9.129 8.148 -4.547 204 HD2 TYR 32 2HD TYR 32 -9.061 6.312 -0.683 205 HE1 TYR 32 1HE TYR 32 -9.984 10.302 -3.501 206 HE2 TYR 32 2HE TYR 32 -9.917 8.473 0.350 207 HH TYR 32 HH TYR 32 -10.724 10.453 -0.039 208 H ASP 33 H ASP 33 -6.232 5.864 -4.715 209 HA ASP 33 HA ASP 33 -5.907 3.659 -6.563 210 1HB ASP 33 1HB ASP 33 -4.650 6.148 -6.286 211 2HB ASP 33 2HB ASP 33 -3.458 5.013 -5.634 212 HD2 ASP 33 HD2 ASP 33 -3.889 3.520 -9.077 213 H VAL 34 H VAL 34 -5.576 1.658 -5.583 214 HA VAL 34 HA VAL 34 -4.703 1.561 -2.840 215 HB VAL 34 HB VAL 34 -6.291 0.010 -4.556 216 1HG1 VAL 34 1HG1 VAL 34 -5.368 -2.156 -4.640 217 2HG1 VAL 34 2HG1 VAL 34 -4.048 -1.081 -5.163 218 3HG1 VAL 34 3HG1 VAL 34 -4.058 -1.738 -3.510 219 1HG2 VAL 34 1HG2 VAL 34 -7.146 -0.705 -2.596 220 2HG2 VAL 34 2HG2 VAL 34 -5.559 -1.217 -1.973 221 3HG2 VAL 34 3HG2 VAL 34 -6.046 0.492 -1.871 222 H GLY 35 H GLY 35 -2.721 0.805 -2.072 223 1HA GLY 35 1HA GLY 35 -0.802 -0.579 -3.502 224 2HA GLY 35 2HA GLY 35 -0.493 1.121 -3.810 225 H GLN 36 H GLN 36 1.330 -0.567 -2.390 226 HA GLN 36 HA GLN 36 0.922 0.110 0.384 227 1HB GLN 36 1HB GLN 36 2.809 -1.351 0.830 228 2HB GLN 36 2HB GLN 36 1.710 -2.176 -0.289 229 1HG GLN 36 1HG GLN 36 3.440 -0.759 -1.969 230 2HG GLN 36 2HG GLN 36 4.504 -1.318 -0.667 231 1HE2 GLN 36 1HE2 GLN 36 4.613 -2.150 -3.354 232 2HE2 GLN 36 2HE2 GLN 36 4.252 -3.841 -3.447 233 H CYS 37 H CYS 37 1.378 2.254 0.799 234 HA CYS 37 HA CYS 37 3.829 3.309 -0.391 235 1HB CYS 37 1HB CYS 37 1.487 4.406 -0.666 236 2HB CYS 37 2HB CYS 37 1.766 5.007 0.972 237 H ALA 38 H ALA 38 5.276 4.561 1.062 238 HA ALA 38 HA ALA 38 4.889 4.791 3.796 239 1HB ALA 38 1HB ALA 38 6.533 2.954 4.507 240 2HB ALA 38 2HB ALA 38 4.903 2.417 4.029 241 3HB ALA 38 3HB ALA 38 6.268 2.238 2.899 242 H TRP 39 H TRP 39 6.919 5.531 4.892 243 HA TRP 39 HA TRP 39 8.394 7.177 3.137 244 1HB TRP 39 1HB TRP 39 8.893 6.474 6.029 245 2HB TRP 39 2HB TRP 39 9.642 7.801 5.143 246 HD1 TRP 39 HD TRP 39 8.108 9.998 4.741 247 HE1 TRP 39 1HE TRP 39 5.845 10.909 5.745 248 HE3 TRP 39 3HE TRP 39 6.680 5.609 6.875 249 HZ2 TRP 39 2HZ TRP 39 3.758 9.719 7.287 250 HZ3 TRP 39 3HZ TRP 39 4.516 5.570 8.113 251 HH2 TRP 39 HH TRP 39 3.074 7.530 8.336 252 H VAL 40 H VAL 40 9.920 6.412 1.735 253 HA VAL 40 HA VAL 40 11.410 4.027 2.554 254 HB VAL 40 HB VAL 40 10.019 4.406 0.326 255 1HG1 VAL 40 1HG1 VAL 40 12.749 5.570 -0.316 256 2HG1 VAL 40 2HG1 VAL 40 11.580 5.017 -1.538 257 3HG1 VAL 40 3HG1 VAL 40 11.167 6.374 -0.462 258 1HG2 VAL 40 1HG2 VAL 40 12.704 3.004 0.521 259 2HG2 VAL 40 2HG2 VAL 40 11.103 2.324 0.894 260 3HG2 VAL 40 3HG2 VAL 40 11.520 2.746 -0.784 261 H ASP 41 H ASP 41 11.804 7.329 1.109 262 HA ASP 41 HA ASP 41 14.627 7.145 1.605 263 1HB ASP 41 1HB ASP 41 14.232 8.241 -0.415 264 2HB ASP 41 2HB ASP 41 12.775 9.051 0.182 265 HD2 ASP 41 HD2 ASP 41 14.587 11.896 0.631 266 H THR 42 H THR 42 15.625 9.307 2.630 267 HA THR 42 HA THR 42 15.096 9.520 5.232 268 HB THR 42 HB THR 42 16.811 10.729 3.579 269 HG1 THR 42 1HG THR 42 15.629 11.923 5.987 270 1HG2 THR 42 1HG2 THR 42 14.901 12.272 2.701 271 2HG2 THR 42 2HG2 THR 42 14.948 13.032 4.310 272 3HG2 THR 42 3HG2 THR 42 16.387 13.076 3.261 273 H GLY 43 H GLY 43 13.112 9.464 6.147 274 1HA GLY 43 1HA GLY 43 10.949 10.025 6.543 275 2HA GLY 43 2HA GLY 43 11.627 11.636 6.655 276 H VAL 44 H VAL 44 11.742 9.856 3.581 277 HA VAL 44 HA VAL 44 9.847 11.810 2.502 278 HB VAL 44 HB VAL 44 12.237 10.365 1.486 279 1HG1 VAL 44 1HG1 VAL 44 10.386 9.585 0.008 280 2HG1 VAL 44 2HG1 VAL 44 10.030 11.285 -0.384 281 3HG1 VAL 44 3HG1 VAL 44 11.599 10.576 -0.838 282 1HG2 VAL 44 1HG2 VAL 44 11.130 13.141 1.509 283 2HG2 VAL 44 2HG2 VAL 44 12.776 12.558 1.861 284 3HG2 VAL 44 3HG2 VAL 44 12.216 12.686 0.175 285 H LEU 45 H LEU 45 7.820 11.165 1.995 286 HA LEU 45 HA LEU 45 7.134 8.415 2.304 287 1HB LEU 45 1HB LEU 45 5.821 10.580 2.860 288 2HB LEU 45 2HB LEU 45 5.311 10.499 1.162 289 HG LEU 45 HG LEU 45 3.791 9.489 2.976 290 1HD1 LEU 45 1HD1 LEU 45 3.275 9.163 0.680 291 2HD1 LEU 45 2HD1 LEU 45 4.592 7.982 0.478 292 3HD1 LEU 45 3HD1 LEU 45 3.171 7.569 1.467 293 1HD2 LEU 45 1HD2 LEU 45 5.435 7.002 2.713 294 2HD2 LEU 45 2HD2 LEU 45 5.897 8.224 3.922 295 3HD2 LEU 45 3HD2 LEU 45 4.279 7.485 3.976 296 H ALA 46 H ALA 46 7.664 6.927 0.793 297 HA ALA 46 HA ALA 46 7.288 7.732 -2.010 298 1HB ALA 46 1HB ALA 46 9.199 6.422 -2.607 299 2HB ALA 46 2HB ALA 46 9.695 7.420 -1.220 300 3HB ALA 46 3HB ALA 46 9.299 5.701 -0.984 301 H CYS 47 H CYS 47 6.195 6.265 -3.357 302 HA CYS 47 HA CYS 47 4.890 4.110 -1.877 303 1HB CYS 47 1HB CYS 47 4.061 5.372 -4.489 304 2HB CYS 47 2HB CYS 47 3.149 4.191 -3.548 305 H ASN 48 H ASN 48 4.558 2.034 -3.136 306 HA ASN 48 HA ASN 48 7.003 1.377 -4.434 307 1HB ASN 48 1HB ASN 48 4.521 -0.117 -3.557 308 2HB ASN 48 2HB ASN 48 5.635 -0.909 -4.681 309 1HD2 ASN 48 1HD2 ASN 48 6.585 1.454 -2.274 310 2HD2 ASN 48 2HD2 ASN 48 7.471 0.396 -1.228 311 HA PRO 49 HA PRO 49 5.421 1.455 -8.526 312 1HB PRO 49 1HB PRO 49 6.576 -0.702 -9.740 313 2HB PRO 49 2HB PRO 49 7.427 0.815 -9.455 314 1HG PRO 49 1HG PRO 49 7.614 -1.758 -8.026 315 2HG PRO 49 2HG PRO 49 8.794 -0.400 -8.053 316 1HD PRO 49 1HD PRO 49 6.979 -1.141 -5.967 317 2HD PRO 49 2HD PRO 49 8.008 0.297 -6.008 318 H ALA 50 H ALA 50 4.666 -1.182 -6.559 319 HA ALA 50 HA ALA 50 2.614 -2.024 -8.480 320 1HB ALA 50 1HB ALA 50 2.998 -4.132 -7.768 321 2HB ALA 50 2HB ALA 50 4.470 -3.485 -7.008 322 3HB ALA 50 3HB ALA 50 2.976 -3.644 -6.056 323 H ASP 51 H ASP 51 2.860 0.364 -6.398 324 HA ASP 51 HA ASP 51 0.667 -0.309 -4.679 325 1HB ASP 51 1HB ASP 51 1.872 1.131 -3.414 326 2HB ASP 51 2HB ASP 51 2.775 1.729 -4.815 327 HD2 ASP 51 HD2 ASP 51 0.616 4.454 -5.177 328 H PHE 52 H PHE 52 0.730 0.211 -7.844 329 HA PHE 52 HA PHE 52 -1.318 2.302 -7.891 330 1HB PHE 52 1HB PHE 52 0.043 0.973 -10.273 331 2HB PHE 52 2HB PHE 52 -0.590 2.619 -10.175 332 HD1 PHE 52 1HD PHE 52 2.207 1.502 -11.071 333 HD2 PHE 52 2HD PHE 52 0.765 3.312 -7.515 334 HE1 PHE 52 1HE PHE 52 4.516 2.344 -10.563 335 HE2 PHE 52 2HE PHE 52 3.074 4.156 -7.006 336 HZ PHE 52 HZ PHE 52 4.921 3.660 -8.537 337 H SER 53 H SER 53 -3.106 0.995 -7.198 338 HA SER 53 HA SER 53 -4.094 -0.642 -9.349 339 1HB SER 53 1HB SER 53 -3.494 -2.547 -8.291 340 2HB SER 53 2HB SER 53 -3.159 -1.714 -6.764 341 HG SER 53 HG SER 53 -5.199 -3.316 -7.280 342 H SER 54 H SER 54 -5.633 1.086 -9.636 343 HA SER 54 HA SER 54 -6.989 2.482 -7.881 344 1HB SER 54 1HB SER 54 -7.246 2.125 -10.505 345 2HB SER 54 2HB SER 54 -8.653 1.161 -10.020 346 HG SER 54 HG SER 54 -9.668 3.040 -9.912 347 H VAL 55 H VAL 55 -9.062 2.306 -6.716 348 HA VAL 55 HA VAL 55 -10.224 -0.309 -6.446 349 HB VAL 55 HB VAL 55 -8.274 -0.451 -4.968 350 1HG1 VAL 55 1HG1 VAL 55 -9.367 1.504 -3.015 351 2HG1 VAL 55 2HG1 VAL 55 -7.681 1.091 -3.413 352 3HG1 VAL 55 3HG1 VAL 55 -8.600 2.191 -4.468 353 1HG2 VAL 55 1HG2 VAL 55 -10.644 -0.215 -3.133 354 2HG2 VAL 55 2HG2 VAL 55 -10.667 -1.402 -4.459 355 3HG2 VAL 55 3HG2 VAL 55 -9.391 -1.479 -3.219 356 H THR 56 H THR 56 -12.251 -0.214 -5.179 357 HA THR 56 HA THR 56 -13.178 2.458 -4.509 358 HB THR 56 HB THR 56 -13.647 1.346 -7.073 359 HG1 THR 56 1HG THR 56 -14.868 3.316 -7.129 360 1HG2 THR 56 1HG2 THR 56 -15.409 -0.147 -6.165 361 2HG2 THR 56 2HG2 THR 56 -16.120 1.216 -5.268 362 3HG2 THR 56 3HG2 THR 56 -16.162 1.201 -7.049 363 H ALA 57 H ALA 57 -14.441 2.459 -2.737 364 HA ALA 57 HA ALA 57 -15.090 -0.163 -1.651 365 1HB ALA 57 1HB ALA 57 -13.892 1.901 -0.478 366 2HB ALA 57 2HB ALA 57 -15.572 2.429 -0.209 367 3HB ALA 57 3HB ALA 57 -15.019 0.859 0.426 368 H ASP 58 H ASP 58 -17.107 -1.008 -1.812 369 HA ASP 58 HA ASP 58 -19.071 0.109 -3.269 370 1HB ASP 58 1HB ASP 58 -19.607 -1.624 -0.827 371 2HB ASP 58 2HB ASP 58 -20.548 -1.566 -2.326 372 HD2 ASP 58 HD2 ASP 58 -17.280 -3.208 -3.479 373 H ALA 59 H ALA 59 -21.372 0.775 -2.400 374 HA ALA 59 HA ALA 59 -21.373 3.125 -1.154 375 1HB ALA 59 1HB ALA 59 -23.492 2.691 -1.823 376 2HB ALA 59 2HB ALA 59 -23.313 0.942 -1.560 377 3HB ALA 59 3HB ALA 59 -23.715 2.009 -0.196 378 H ASN 60 H ASN 60 -21.364 -0.102 0.458 379 HA ASN 60 HA ASN 60 -21.394 1.159 3.024 380 1HB ASN 60 1HB ASN 60 -22.193 -1.315 2.079 381 2HB ASN 60 2HB ASN 60 -20.649 -1.725 2.840 382 1HD2 ASN 60 1HD2 ASN 60 -22.411 -2.958 4.075 383 2HD2 ASN 60 2HD2 ASN 60 -23.010 -2.214 5.521 384 H GLY 61 H GLY 61 -19.177 1.963 1.355 385 1HA GLY 61 1HA GLY 61 -16.921 2.006 1.211 386 2HA GLY 61 2HA GLY 61 -17.005 1.862 2.955 387 H SER 62 H SER 62 -18.002 -0.602 0.510 388 HA SER 62 HA SER 62 -16.192 -2.431 1.823 389 1HB SER 62 1HB SER 62 -17.870 -3.439 -0.398 390 2HB SER 62 2HB SER 62 -17.660 -4.083 1.239 391 HG SER 62 HG SER 62 -18.999 -1.989 1.781 392 H ALA 63 H ALA 63 -14.138 -1.818 0.967 393 HA ALA 63 HA ALA 63 -13.907 -1.984 -1.953 394 1HB ALA 63 1HB ALA 63 -11.508 -1.007 -0.884 395 2HB ALA 63 2HB ALA 63 -12.799 -0.046 -1.647 396 3HB ALA 63 3HB ALA 63 -12.774 -0.261 0.119 397 H SER 64 H SER 64 -14.022 -4.355 -1.873 398 HA SER 64 HA SER 64 -11.812 -5.598 -0.490 399 1HB SER 64 1HB SER 64 -12.960 -7.727 -1.386 400 2HB SER 64 2HB SER 64 -13.835 -6.790 -0.162 401 HG SER 64 HG SER 64 -14.748 -7.544 -2.526 402 H THR 65 H THR 65 -10.120 -4.676 -1.899 403 HA THR 65 HA THR 65 -10.125 -5.830 -4.606 404 HB THR 65 HB THR 65 -9.975 -3.209 -3.970 405 HG1 THR 65 1HG THR 65 -9.541 -3.410 -6.129 406 1HG2 THR 65 1HG2 THR 65 -7.619 -2.476 -3.981 407 2HG2 THR 65 2HG2 THR 65 -7.890 -3.512 -2.560 408 3HG2 THR 65 3HG2 THR 65 -7.065 -4.167 -3.995 409 H SER 66 H SER 66 -8.631 -7.300 -5.203 410 HA SER 66 HA SER 66 -6.734 -8.003 -3.121 411 1HB SER 66 1HB SER 66 -6.727 -10.193 -3.981 412 2HB SER 66 2HB SER 66 -8.417 -9.691 -4.150 413 HG SER 66 HG SER 66 -6.375 -9.902 -6.176 414 H LEU 67 H LEU 67 -4.488 -8.018 -3.519 415 HA LEU 67 HA LEU 67 -3.531 -7.665 -6.207 416 1HB LEU 67 1HB LEU 67 -4.133 -5.388 -4.699 417 2HB LEU 67 2HB LEU 67 -2.369 -5.554 -4.622 418 HG LEU 67 HG LEU 67 -3.168 -4.090 -6.452 419 1HD1 LEU 67 1HD1 LEU 67 -1.007 -5.374 -6.536 420 2HD1 LEU 67 2HD1 LEU 67 -1.840 -6.574 -7.555 421 3HD1 LEU 67 3HD1 LEU 67 -1.669 -4.892 -8.116 422 1HD2 LEU 67 1HD2 LEU 67 -4.322 -4.960 -8.372 423 2HD2 LEU 67 2HD2 LEU 67 -4.306 -6.607 -7.695 424 3HD2 LEU 67 3HD2 LEU 67 -5.273 -5.332 -6.912 425 H THR 68 H THR 68 -0.943 -7.232 -5.937 426 HA THR 68 HA THR 68 -0.111 -9.267 -3.985 427 HB THR 68 HB THR 68 0.940 -8.340 -6.698 428 HG1 THR 68 1HG THR 68 -0.555 -10.023 -6.875 429 1HG2 THR 68 1HG2 THR 68 2.505 -9.348 -4.488 430 2HG2 THR 68 2HG2 THR 68 2.309 -10.664 -5.669 431 3HG2 THR 68 3HG2 THR 68 3.022 -9.113 -6.175 432 H VAL 69 H VAL 69 1.146 -8.761 -2.296 433 HA VAL 69 HA VAL 69 1.956 -5.985 -2.073 434 HB VAL 69 HB VAL 69 2.150 -8.255 -0.086 435 1HG1 VAL 69 1HG1 VAL 69 3.237 -5.666 -0.036 436 2HG1 VAL 69 2HG1 VAL 69 1.799 -5.594 1.012 437 3HG1 VAL 69 3HG1 VAL 69 3.074 -6.796 1.329 438 1HG2 VAL 69 1HG2 VAL 69 0.080 -7.034 0.893 439 2HG2 VAL 69 2HG2 VAL 69 -0.105 -6.363 -0.745 440 3HG2 VAL 69 3HG2 VAL 69 -0.146 -8.125 -0.494 441 H ARG 70 H ARG 70 3.679 -5.829 -3.583 442 HA ARG 70 HA ARG 70 5.851 -7.678 -3.203 443 1HB ARG 70 1HB ARG 70 5.675 -5.333 -5.143 444 2HB ARG 70 2HB ARG 70 6.776 -6.718 -5.251 445 1HG ARG 70 1HG ARG 70 5.165 -8.085 -6.130 446 2HG ARG 70 2HG ARG 70 3.872 -7.392 -5.135 447 1HD ARG 70 1HD ARG 70 3.290 -5.897 -6.756 448 2HD ARG 70 2HD ARG 70 4.972 -5.511 -7.147 449 HE ARG 70 HE ARG 70 4.061 -8.169 -8.035 450 1HH1 ARG 70 1HH1 ARG 70 4.454 -4.776 -8.888 451 2HH1 ARG 70 2HH1 ARG 70 4.426 -5.070 -10.595 452 1HH2 ARG 70 1HH2 ARG 70 4.023 -8.557 -10.286 453 2HH2 ARG 70 2HH2 ARG 70 4.179 -7.236 -11.395 454 H ARG 71 H ARG 71 6.893 -7.093 -1.256 455 HA ARG 71 HA ARG 71 7.221 -4.476 -0.444 456 1HB ARG 71 1HB ARG 71 7.459 -6.139 1.222 457 2HB ARG 71 2HB ARG 71 8.593 -7.096 0.253 458 1HG ARG 71 1HG ARG 71 10.235 -5.167 0.475 459 2HG ARG 71 2HG ARG 71 9.121 -4.431 1.640 460 1HD ARG 71 1HD ARG 71 10.893 -5.717 2.784 461 2HD ARG 71 2HD ARG 71 9.310 -6.450 3.084 462 HE ARG 71 HE ARG 71 10.310 -7.734 0.801 463 1HH1 ARG 71 1HH1 ARG 71 11.358 -7.317 4.135 464 2HH1 ARG 71 2HH1 ARG 71 12.219 -8.820 4.187 465 1HH2 ARG 71 1HH2 ARG 71 11.447 -9.716 0.870 466 2HH2 ARG 71 2HH2 ARG 71 12.270 -10.192 2.316 467 H SER 72 H SER 72 9.252 -6.689 -2.419 468 HA SER 72 HA SER 72 11.363 -4.746 -2.513 469 1HB SER 72 1HB SER 72 12.612 -6.571 -2.880 470 2HB SER 72 2HB SER 72 11.152 -7.573 -2.863 471 HG SER 72 HG SER 72 12.786 -7.137 -4.918 472 H PHE 73 H PHE 73 11.708 -3.299 -4.194 473 HA PHE 73 HA PHE 73 11.204 -3.580 -6.804 474 1HB PHE 73 1HB PHE 73 8.750 -3.364 -5.217 475 2HB PHE 73 2HB PHE 73 8.870 -1.965 -6.288 476 HD1 PHE 73 1HD PHE 73 7.450 -5.057 -6.033 477 HD2 PHE 73 2HD PHE 73 9.758 -2.783 -8.772 478 HE1 PHE 73 1HE PHE 73 6.570 -6.448 -7.928 479 HE2 PHE 73 2HE PHE 73 8.877 -4.173 -10.668 480 HZ PHE 73 HZ PHE 73 7.294 -5.988 -10.222 481 H GLU 74 H GLU 74 10.733 -1.313 -7.942 482 HA GLU 74 HA GLU 74 12.506 0.489 -6.628 483 1HB GLU 74 1HB GLU 74 12.710 0.135 -9.025 484 2HB GLU 74 2HB GLU 74 11.034 0.643 -9.292 485 1HG GLU 74 1HG GLU 74 11.853 2.724 -9.610 486 2HG GLU 74 2HG GLU 74 12.167 2.781 -7.869 487 HE2 GLU 74 HE2 GLU 74 15.549 2.784 -8.411 488 H GLY 75 H GLY 75 11.876 2.052 -5.210 489 1HA GLY 75 1HA GLY 75 9.043 2.729 -5.040 490 2HA GLY 75 2HA GLY 75 10.307 3.118 -3.891 491 H PHE 76 H PHE 76 8.408 5.045 -4.781 492 HA PHE 76 HA PHE 76 10.224 6.867 -6.170 493 1HB PHE 76 1HB PHE 76 7.198 6.722 -6.595 494 2HB PHE 76 2HB PHE 76 8.373 7.561 -7.611 495 HD1 PHE 76 1HD PHE 76 7.351 4.157 -6.501 496 HD2 PHE 76 2HD PHE 76 9.202 6.506 -9.514 497 HE1 PHE 76 1HE PHE 76 7.468 2.146 -8.000 498 HE2 PHE 76 2HE PHE 76 9.317 4.494 -11.012 499 HZ PHE 76 HZ PHE 76 8.448 2.339 -10.237 500 H LEU 77 H LEU 77 10.215 8.977 -5.382 501 HA LEU 77 HA LEU 77 9.012 9.338 -2.834 502 1HB LEU 77 1HB LEU 77 10.431 11.305 -4.623 503 2HB LEU 77 2HB LEU 77 10.081 11.516 -2.898 504 HG LEU 77 HG LEU 77 12.231 10.857 -2.706 505 1HD1 LEU 77 1HD1 LEU 77 10.658 8.987 -1.839 506 2HD1 LEU 77 2HD1 LEU 77 11.300 8.040 -3.202 507 3HD1 LEU 77 3HD1 LEU 77 12.405 8.669 -1.958 508 1HD2 LEU 77 1HD2 LEU 77 12.956 8.937 -4.563 509 2HD2 LEU 77 2HD2 LEU 77 11.863 10.007 -5.473 510 3HD2 LEU 77 3HD2 LEU 77 13.292 10.684 -4.657 511 H PHE 78 H PHE 78 7.464 11.013 -2.240 512 HA PHE 78 HA PHE 78 5.337 11.121 -4.150 513 1HB PHE 78 1HB PHE 78 4.676 10.863 -1.876 514 2HB PHE 78 2HB PHE 78 5.937 11.951 -1.287 515 HD1 PHE 78 1HD PHE 78 5.060 13.804 -0.258 516 HD2 PHE 78 2HD PHE 78 3.081 12.268 -3.681 517 HE1 PHE 78 1HE PHE 78 3.374 15.657 -0.113 518 HE2 PHE 78 2HE PHE 78 1.392 14.121 -3.537 519 HZ PHE 78 HZ PHE 78 1.560 15.794 -1.755 520 H ASP 79 H ASP 79 8.023 13.168 -3.197 521 HA ASP 79 HA ASP 79 6.969 15.645 -3.652 522 1HB ASP 79 1HB ASP 79 9.469 14.559 -3.120 523 2HB ASP 79 2HB ASP 79 9.707 15.255 -4.731 524 HD2 ASP 79 HD2 ASP 79 10.549 17.996 -2.751 525 H GLY 80 H GLY 80 8.687 13.370 -5.924 526 1HA GLY 80 1HA GLY 80 7.109 13.663 -8.124 527 2HA GLY 80 2HA GLY 80 8.206 15.029 -8.222 528 H THR 81 H THR 81 10.388 13.496 -6.737 529 HA THR 81 HA THR 81 11.438 12.172 -9.096 530 HB THR 81 HB THR 81 12.895 13.739 -7.935 531 HG1 THR 81 1HG THR 81 13.510 11.045 -6.966 532 1HG2 THR 81 1HG2 THR 81 12.046 13.891 -5.687 533 2HG2 THR 81 2HG2 THR 81 12.099 12.124 -5.471 534 3HG2 THR 81 3HG2 THR 81 13.613 13.060 -5.522 535 H ARG 82 H ARG 82 12.855 10.114 -8.543 536 HA ARG 82 HA ARG 82 11.054 8.372 -7.058 537 1HB ARG 82 1HB ARG 82 11.800 6.545 -8.579 538 2HB ARG 82 2HB ARG 82 11.057 7.872 -9.487 539 1HG ARG 82 1HG ARG 82 13.184 8.679 -10.224 540 2HG ARG 82 2HG ARG 82 14.065 7.682 -9.051 541 1HD ARG 82 1HD ARG 82 13.900 5.789 -10.349 542 2HD ARG 82 2HD ARG 82 12.302 6.215 -10.976 543 HE ARG 82 HE ARG 82 14.303 8.042 -11.970 544 1HH1 ARG 82 1HH1 ARG 82 13.104 4.761 -12.392 545 2HH1 ARG 82 2HH1 ARG 82 13.620 4.649 -14.041 546 1HH2 ARG 82 1HH2 ARG 82 14.986 7.893 -14.144 547 2HH2 ARG 82 2HH2 ARG 82 14.700 6.443 -15.044 548 H TRP 83 H TRP 83 12.077 6.604 -5.823 549 HA TRP 83 HA TRP 83 14.841 7.273 -5.101 550 1HB TRP 83 1HB TRP 83 13.277 7.504 -3.291 551 2HB TRP 83 2HB TRP 83 12.658 5.872 -3.551 552 HD1 TRP 83 HD TRP 83 13.563 4.366 -1.626 553 HE1 TRP 83 1HE TRP 83 15.805 3.991 -0.288 554 HE3 TRP 83 3HE TRP 83 16.171 8.083 -3.917 555 HZ2 TRP 83 2HZ TRP 83 18.361 5.261 -0.334 556 HZ3 TRP 83 3HZ TRP 83 18.533 8.450 -3.212 557 HH2 TRP 83 HH TRP 83 19.630 7.111 -1.486 558 H GLY 84 H GLY 84 13.026 4.232 -4.509 559 1HA GLY 84 1HA GLY 84 13.403 2.496 -6.353 560 2HA GLY 84 2HA GLY 84 15.101 2.797 -6.033 561 H THR 85 H THR 85 16.112 1.846 -4.256 562 HA THR 85 HA THR 85 16.294 0.767 -2.279 563 HB THR 85 HB THR 85 13.294 0.324 -2.121 564 HG1 THR 85 1HG THR 85 13.094 2.529 -2.084 565 1HG2 THR 85 1HG2 THR 85 15.198 -0.290 -0.319 566 2HG2 THR 85 2HG2 THR 85 15.075 1.448 0.050 567 3HG2 THR 85 3HG2 THR 85 13.642 0.403 0.204 568 H VAL 86 H VAL 86 13.509 -0.657 -4.129 569 HA VAL 86 HA VAL 86 13.396 -2.589 -5.230 570 HB VAL 86 HB VAL 86 15.242 -3.651 -6.006 571 1HG1 VAL 86 1HG1 VAL 86 15.504 -0.938 -5.815 572 2HG1 VAL 86 2HG1 VAL 86 17.029 -1.487 -5.078 573 3HG1 VAL 86 3HG1 VAL 86 16.602 -2.001 -6.730 574 1HG2 VAL 86 1HG2 VAL 86 16.414 -4.821 -4.501 575 2HG2 VAL 86 2HG2 VAL 86 17.416 -3.368 -4.277 576 3HG2 VAL 86 3HG2 VAL 86 16.032 -3.669 -3.199 577 H ASP 87 H ASP 87 14.403 -2.199 -1.930 578 HA ASP 87 HA ASP 87 12.951 -4.626 -1.313 579 1HB ASP 87 1HB ASP 87 15.692 -4.581 -1.185 580 2HB ASP 87 2HB ASP 87 15.285 -4.040 0.454 581 HD2 ASP 87 HD2 ASP 87 14.818 -7.279 1.389 582 H CYS 88 H CYS 88 11.208 -3.639 -0.237 583 HA CYS 88 HA CYS 88 11.737 -1.333 1.419 584 1HB CYS 88 1HB CYS 88 9.846 -1.184 -0.017 585 2HB CYS 88 2HB CYS 88 9.191 -2.715 0.570 586 H THR 89 H THR 89 13.119 -3.473 2.450 587 HA THR 89 HA THR 89 11.412 -4.756 4.439 588 HB THR 89 HB THR 89 13.258 -5.879 2.923 589 HG1 THR 89 1HG THR 89 13.084 -5.988 5.850 590 1HG2 THR 89 1HG2 THR 89 14.902 -3.998 4.237 591 2HG2 THR 89 2HG2 THR 89 15.152 -5.505 5.154 592 3HG2 THR 89 3HG2 THR 89 15.463 -5.466 3.402 593 H THR 90 H THR 90 13.366 -1.947 4.072 594 HA THR 90 HA THR 90 14.051 -1.852 6.896 595 HB THR 90 HB THR 90 14.661 -0.216 4.401 596 HG1 THR 90 1HG THR 90 16.253 -1.738 4.733 597 1HG2 THR 90 1HG2 THR 90 14.491 1.552 6.022 598 2HG2 THR 90 2HG2 THR 90 15.093 0.511 7.333 599 3HG2 THR 90 3HG2 THR 90 16.206 1.075 6.063 600 H ALA 91 H ALA 91 12.087 0.067 4.530 601 HA ALA 91 HA ALA 91 10.846 1.420 6.782 602 1HB ALA 91 1HB ALA 91 9.639 2.491 4.650 603 2HB ALA 91 2HB ALA 91 11.278 2.984 5.141 604 3HB ALA 91 3HB ALA 91 11.059 1.816 3.817 605 H ALA 92 H ALA 92 8.768 1.038 7.494 606 HA ALA 92 HA ALA 92 7.575 -1.414 6.752 607 1HB ALA 92 1HB ALA 92 6.562 0.936 8.402 608 2HB ALA 92 2HB ALA 92 5.799 -0.671 8.328 609 3HB ALA 92 3HB ALA 92 7.431 -0.489 9.015 610 H CYS 93 H CYS 93 6.513 -1.780 4.872 611 HA CYS 93 HA CYS 93 5.409 0.474 3.457 612 1HB CYS 93 1HB CYS 93 4.921 -2.202 2.376 613 2HB CYS 93 2HB CYS 93 5.591 -0.763 1.604 614 H GLN 94 H GLN 94 3.278 1.082 3.660 615 HA GLN 94 HA GLN 94 1.530 -0.832 4.979 616 1HB GLN 94 1HB GLN 94 0.460 0.921 6.006 617 2HB GLN 94 2HB GLN 94 2.048 1.676 5.782 618 1HG GLN 94 1HG GLN 94 1.200 2.635 3.608 619 2HG GLN 94 2HG GLN 94 -0.403 1.989 3.989 620 1HE2 GLN 94 1HE2 GLN 94 2.233 3.925 5.393 621 2HE2 GLN 94 2HE2 GLN 94 1.242 5.089 6.209 622 H VAL 95 H VAL 95 -0.058 -1.812 3.797 623 HA VAL 95 HA VAL 95 -0.451 -0.908 1.079 624 HB VAL 95 HB VAL 95 -1.769 -3.224 2.493 625 1HG1 VAL 95 1HG1 VAL 95 -1.569 -2.251 -0.286 626 2HG1 VAL 95 2HG1 VAL 95 -1.242 -3.990 -0.084 627 3HG1 VAL 95 3HG1 VAL 95 -2.784 -3.305 0.482 628 1HG2 VAL 95 1HG2 VAL 95 0.186 -4.268 2.716 629 2HG2 VAL 95 2HG2 VAL 95 0.465 -4.117 0.965 630 3HG2 VAL 95 3HG2 VAL 95 1.037 -2.844 2.069 631 H GLY 96 H GLY 96 -1.872 0.702 0.675 632 1HA GLY 96 1HA GLY 96 -4.557 0.511 1.716 633 2HA GLY 96 2HA GLY 96 -3.641 1.858 2.361 634 H LEU 97 H LEU 97 -5.758 2.691 0.999 635 HA LEU 97 HA LEU 97 -4.829 3.209 -1.734 636 1HB LEU 97 1HB LEU 97 -7.329 3.991 -1.874 637 2HB LEU 97 2HB LEU 97 -6.863 2.291 -2.066 638 HG LEU 97 HG LEU 97 -7.745 3.420 0.589 639 1HD1 LEU 97 1HD1 LEU 97 -9.367 3.076 -1.787 640 2HD1 LEU 97 2HD1 LEU 97 -9.912 2.006 -0.472 641 3HD1 LEU 97 3HD1 LEU 97 -9.792 3.762 -0.201 642 1HD2 LEU 97 1HD2 LEU 97 -7.645 1.321 1.353 643 2HD2 LEU 97 2HD2 LEU 97 -8.383 0.643 -0.118 644 3HD2 LEU 97 3HD2 LEU 97 -6.640 0.997 -0.079 645 H SER 98 H SER 98 -4.133 5.219 -2.254 646 HA SER 98 HA SER 98 -4.261 7.189 -0.174 647 1HB SER 98 1HB SER 98 -2.727 8.470 -1.601 648 2HB SER 98 2HB SER 98 -2.154 6.801 -1.426 649 HG SER 98 HG SER 98 -3.549 7.965 -3.682 650 H ASP 99 H ASP 99 -5.008 9.447 -0.620 651 HA ASP 99 HA ASP 99 -7.469 9.358 -2.017 652 1HB ASP 99 1HB ASP 99 -6.302 11.973 -1.153 653 2HB ASP 99 2HB ASP 99 -7.941 11.350 -0.916 654 HD2 ASP 99 HD2 ASP 99 -7.149 10.707 2.334 655 H ALA 100 H ALA 100 -8.032 11.101 -3.705 656 HA ALA 100 HA ALA 100 -5.848 11.305 -5.595 657 1HB ALA 100 1HB ALA 100 -8.622 10.880 -5.744 658 2HB ALA 100 2HB ALA 100 -8.375 12.524 -6.386 659 3HB ALA 100 3HB ALA 100 -7.506 11.145 -7.106 660 H ALA 101 H ALA 101 -6.388 12.952 -2.911 661 HA ALA 101 HA ALA 101 -6.214 15.601 -4.157 662 1HB ALA 101 1HB ALA 101 -7.698 14.584 -1.971 663 2HB ALA 101 2HB ALA 101 -6.427 15.611 -1.267 664 3HB ALA 101 3HB ALA 101 -7.543 16.281 -2.478 665 H GLY 102 H GLY 102 -4.944 14.127 -1.095 666 1HA GLY 102 1HA GLY 102 -2.320 13.836 -1.640 667 2HA GLY 102 2HA GLY 102 -2.460 15.570 -1.424 668 H ASN 103 H ASN 103 -4.168 12.804 0.202 669 HA ASN 103 HA ASN 103 -3.097 13.867 2.700 670 1HB ASN 103 1HB ASN 103 -5.737 12.378 2.315 671 2HB ASN 103 2HB ASN 103 -5.184 13.164 3.801 672 1HD2 ASN 103 1HD2 ASN 103 -6.560 13.529 0.648 673 2HD2 ASN 103 2HD2 ASN 103 -6.971 15.211 0.733 674 H GLY 104 H GLY 104 -2.960 12.087 4.464 675 1HA GLY 104 1HA GLY 104 -2.211 9.520 3.204 676 2HA GLY 104 2HA GLY 104 -1.482 10.205 4.643 677 HA PRO 105 HA PRO 105 -5.736 8.300 5.652 678 1HB PRO 105 1HB PRO 105 -6.445 6.160 4.110 679 2HB PRO 105 2HB PRO 105 -7.079 7.783 3.854 680 1HG PRO 105 1HG PRO 105 -5.016 6.296 2.359 681 2HG PRO 105 2HG PRO 105 -5.987 7.713 1.824 682 1HD PRO 105 1HD PRO 105 -3.242 7.640 2.640 683 2HD PRO 105 2HD PRO 105 -4.198 9.084 2.277 684 H GLU 106 H GLU 106 -6.430 5.643 6.009 685 HA GLU 106 HA GLU 106 -4.142 4.910 7.597 686 1HB GLU 106 1HB GLU 106 -6.822 4.865 8.106 687 2HB GLU 106 2HB GLU 106 -6.571 3.181 7.619 688 1HG GLU 106 1HG GLU 106 -5.881 2.822 9.743 689 2HG GLU 106 2HG GLU 106 -4.403 3.695 9.312 690 HE2 GLU 106 HE2 GLU 106 -7.195 5.582 11.448 691 H GLY 107 H GLY 107 -2.887 3.046 7.298 692 1HA GLY 107 1HA GLY 107 -3.606 1.356 4.980 693 2HA GLY 107 2HA GLY 107 -1.991 2.001 5.192 694 H VAL 108 H VAL 108 -2.553 -0.805 5.047 695 HA VAL 108 HA VAL 108 -2.375 -1.711 7.810 696 HB VAL 108 HB VAL 108 -3.955 -2.755 6.214 697 1HG1 VAL 108 1HG1 VAL 108 -3.371 -3.500 4.184 698 2HG1 VAL 108 2HG1 VAL 108 -1.830 -2.644 4.423 699 3HG1 VAL 108 3HG1 VAL 108 -1.959 -4.374 4.825 700 1HG2 VAL 108 1HG2 VAL 108 -3.665 -4.307 7.823 701 2HG2 VAL 108 2HG2 VAL 108 -2.742 -5.178 6.578 702 3HG2 VAL 108 3HG2 VAL 108 -1.890 -4.174 7.775 703 H ALA 109 H ALA 109 -0.415 -1.918 8.745 704 HA ALA 109 HA ALA 109 1.957 -1.603 7.267 705 1HB ALA 109 1HB ALA 109 1.702 -2.816 10.037 706 2HB ALA 109 2HB ALA 109 3.034 -1.838 9.376 707 3HB ALA 109 3HB ALA 109 1.464 -1.079 9.737 708 H ILE 110 H ILE 110 2.112 -3.131 5.588 709 HA ILE 110 HA ILE 110 1.735 -5.906 6.142 710 HB ILE 110 HB ILE 110 1.811 -4.240 3.892 711 1HG1 ILE 110 1HG1 ILE 110 1.101 -6.289 2.713 712 2HG1 ILE 110 2HG1 ILE 110 1.522 -7.248 4.142 713 1HG2 ILE 110 1HG2 ILE 110 3.837 -6.439 3.493 714 2HG2 ILE 110 2HG2 ILE 110 3.426 -5.083 2.416 715 3HG2 ILE 110 3HG2 ILE 110 4.310 -4.779 3.930 716 1HD1 ILE 110 1HD1 ILE 110 -0.518 -6.795 5.006 717 2HD1 ILE 110 2HD1 ILE 110 -0.113 -5.062 5.020 718 3HD1 ILE 110 3HD1 ILE 110 -0.899 -5.782 3.594 719 H SER 111 H SER 111 3.492 -7.550 5.717 720 HA SER 111 HA SER 111 6.081 -7.181 5.542 721 1HB SER 111 1HB SER 111 5.186 -6.094 8.121 722 2HB SER 111 2HB SER 111 6.462 -7.311 8.308 723 HG SER 111 HG SER 111 6.924 -5.466 6.246 724 H PHE 112 H PHE 112 4.373 -8.488 8.481 725 HA PHE 112 HA PHE 112 4.009 -11.052 7.512 726 1HB PHE 112 1HB PHE 112 6.368 -11.420 7.424 727 2HB PHE 112 2HB PHE 112 6.679 -10.354 8.796 728 HD1 PHE 112 1HD PHE 112 6.957 -11.255 10.937 729 HD2 PHE 112 2HD PHE 112 5.249 -13.659 7.885 730 HE1 PHE 112 1HE PHE 112 7.090 -13.260 12.442 731 HE2 PHE 112 2HE PHE 112 5.382 -15.663 9.390 732 HZ PHE 112 HZ PHE 112 6.300 -15.440 11.651 733 H ASN 113 H ASN 113 3.320 -12.578 9.240 734 HA ASN 113 HA ASN 113 1.750 -11.342 11.089 735 1HB ASN 113 1HB ASN 113 2.384 -14.003 10.300 736 2HB ASN 113 2HB ASN 113 2.606 -13.969 12.056 737 1HD2 ASN 113 1HD2 ASN 113 0.881 -14.830 12.933 738 2HD2 ASN 113 2HD2 ASN 113 -0.770 -14.445 12.587 739 6H NCZ 130 6H NCZ 130 0.493 13.570 -0.990 740 6H1 NCZ 130 6H1 NCZ 130 -0.974 11.052 -0.947 741 5H1 NCZ 130 5H1 NCZ 130 -1.464 12.648 1.102 742 4H1 NCZ 130 4H1 NCZ 130 0.856 12.491 2.581 743 5H NCZ 130 5H NCZ 130 3.443 11.946 0.089 744 3H1 NCZ 130 3H1 NCZ 130 2.129 10.684 1.548 745 2H1 NCZ 130 2H1 NCZ 130 1.528 11.119 -1.157 746 2H NCZ 130 2H NCZ 130 -0.138 7.857 -3.878 747 8H NCZ 130 8H NCZ 130 -0.988 4.806 -3.344 748 7H NCZ 130 7H NCZ 130 -1.601 3.795 -1.173 749 3H NCZ 130 3H NCZ 130 -0.676 4.830 3.319 750 1H17 NCZ 130 1H17 NCZ 130 1.460 8.473 4.841 751 2H17 NCZ 130 2H17 NCZ 130 2.029 8.566 3.157 752 3H17 NCZ 130 3H17 NCZ 130 0.353 9.009 3.555 753 1H18 NCZ 130 1H18 NCZ 130 -1.557 2.875 0.405 754 2H18 NCZ 130 2H18 NCZ 130 -1.369 2.911 2.174 755 3H18 NCZ 130 3H18 NCZ 130 -2.735 3.754 1.407 756 1H NCZ 130 1H NCZ 130 1.233 7.936 1.155 Start of MODEL 26 1 H ALA 1 H ALA 1 -14.419 -7.099 11.228 2 HA ALA 1 HA ALA 1 -12.061 -8.518 10.432 3 1HB ALA 1 1HB ALA 1 -14.221 -7.408 9.140 4 2HB ALA 1 2HB ALA 1 -12.958 -6.192 8.838 5 3HB ALA 1 3HB ALA 1 -12.700 -7.884 8.349 6 H ALA 2 H ALA 2 -10.660 -6.519 8.987 7 HA ALA 2 HA ALA 2 -9.393 -5.157 11.232 8 1HB ALA 2 1HB ALA 2 -7.445 -5.373 10.056 9 2HB ALA 2 2HB ALA 2 -8.346 -6.675 9.240 10 3HB ALA 2 3HB ALA 2 -8.232 -5.066 8.489 11 HA PRO 3 HA PRO 3 -10.817 -1.286 9.933 12 1HB PRO 3 1HB PRO 3 -8.841 0.374 10.827 13 2HB PRO 3 2HB PRO 3 -10.100 -0.278 11.874 14 1HG PRO 3 1HG PRO 3 -7.271 -1.064 11.593 15 2HG PRO 3 2HG PRO 3 -8.394 -1.386 12.963 16 1HD PRO 3 1HD PRO 3 -7.494 -3.199 10.937 17 2HD PRO 3 2HD PRO 3 -8.721 -3.518 12.169 18 H THR 4 H THR 4 -11.048 -0.163 8.089 19 HA THR 4 HA THR 4 -10.558 0.401 5.987 20 HB THR 4 HB THR 4 -9.039 2.129 6.050 21 HG1 THR 4 1HG THR 4 -6.794 1.571 6.486 22 1HG2 THR 4 1HG2 THR 4 -8.091 1.204 8.780 23 2HG2 THR 4 2HG2 THR 4 -8.395 2.862 8.207 24 3HG2 THR 4 3HG2 THR 4 -9.762 1.788 8.591 25 H ALA 5 H ALA 5 -8.767 0.170 4.121 26 HA ALA 5 HA ALA 5 -8.747 -2.429 3.379 27 1HB ALA 5 1HB ALA 5 -6.742 -1.703 1.932 28 2HB ALA 5 2HB ALA 5 -8.236 -0.745 1.782 29 3HB ALA 5 3HB ALA 5 -6.873 -0.126 2.749 30 H THR 6 H THR 6 -7.582 -4.268 3.818 31 HA THR 6 HA THR 6 -5.020 -4.044 5.144 32 HB THR 6 HB THR 6 -6.052 -5.731 6.932 33 HG1 THR 6 1HG THR 6 -8.160 -5.825 5.991 34 1HG2 THR 6 1HG2 THR 6 -5.499 -3.001 7.030 35 2HG2 THR 6 2HG2 THR 6 -7.225 -3.051 7.461 36 3HG2 THR 6 3HG2 THR 6 -6.041 -3.972 8.420 37 H VAL 7 H VAL 7 -3.717 -5.871 4.903 38 HA VAL 7 HA VAL 7 -4.593 -7.580 2.755 39 HB VAL 7 HB VAL 7 -1.994 -7.801 4.242 40 1HG1 VAL 7 1HG1 VAL 7 -1.836 -7.855 1.362 41 2HG1 VAL 7 2HG1 VAL 7 -1.434 -9.128 2.538 42 3HG1 VAL 7 3HG1 VAL 7 -3.096 -8.981 1.918 43 1HG2 VAL 7 1HG2 VAL 7 -1.766 -5.556 3.944 44 2HG2 VAL 7 2HG2 VAL 7 -1.308 -6.069 2.301 45 3HG2 VAL 7 3HG2 VAL 7 -2.962 -5.495 2.625 46 H THR 8 H THR 8 -5.400 -9.614 2.956 47 HA THR 8 HA THR 8 -6.412 -10.646 5.216 48 HB THR 8 HB THR 8 -5.545 -11.643 2.563 49 HG1 THR 8 1HG THR 8 -7.749 -11.889 2.671 50 1HG2 THR 8 1HG2 THR 8 -5.766 -14.018 3.096 51 2HG2 THR 8 2HG2 THR 8 -4.465 -13.367 4.124 52 3HG2 THR 8 3HG2 THR 8 -6.083 -13.650 4.810 53 HA PRO 9 HA PRO 9 -2.414 -12.807 6.380 54 1HB PRO 9 1HB PRO 9 -0.132 -12.422 4.930 55 2HB PRO 9 2HB PRO 9 -1.215 -13.788 4.676 56 1HG PRO 9 1HG PRO 9 -0.872 -11.319 3.095 57 2HG PRO 9 2HG PRO 9 -1.600 -12.886 2.587 58 1HD PRO 9 1HD PRO 9 -2.929 -10.437 3.245 59 2HD PRO 9 2HD PRO 9 -3.694 -11.995 2.906 60 H SER 10 H SER 10 0.244 -12.050 6.781 61 HA SER 10 HA SER 10 -0.036 -9.270 7.531 62 1HB SER 10 1HB SER 10 -0.018 -11.548 9.381 63 2HB SER 10 2HB SER 10 1.277 -10.391 9.739 64 HG SER 10 HG SER 10 -0.191 -9.063 10.540 65 H SER 11 H SER 11 2.030 -12.246 7.434 66 HA SER 11 HA SER 11 4.433 -10.816 7.546 67 1HB SER 11 1HB SER 11 3.555 -13.608 7.091 68 2HB SER 11 2HB SER 11 5.094 -13.197 6.313 69 HG SER 11 HG SER 11 4.461 -12.756 9.108 70 H GLY 12 H GLY 12 3.518 -9.161 5.839 71 1HA GLY 12 1HA GLY 12 3.137 -9.670 3.188 72 2HA GLY 12 2HA GLY 12 3.877 -8.216 3.826 73 H LEU 13 H LEU 13 6.091 -10.074 5.054 74 HA LEU 13 HA LEU 13 7.921 -9.711 2.945 75 1HB LEU 13 1HB LEU 13 9.464 -10.931 4.429 76 2HB LEU 13 2HB LEU 13 8.660 -9.544 5.189 77 HG LEU 13 HG LEU 13 6.996 -11.515 5.965 78 1HD1 LEU 13 1HD1 LEU 13 7.819 -13.516 5.402 79 2HD1 LEU 13 2HD1 LEU 13 9.445 -12.865 5.075 80 3HD1 LEU 13 3HD1 LEU 13 8.961 -13.259 6.743 81 1HD2 LEU 13 1HD2 LEU 13 8.824 -9.823 7.160 82 2HD2 LEU 13 2HD2 LEU 13 7.655 -10.871 7.995 83 3HD2 LEU 13 3HD2 LEU 13 9.321 -11.434 7.727 84 H SER 14 H SER 14 6.383 -10.859 1.334 85 HA SER 14 HA SER 14 7.374 -13.573 1.141 86 1HB SER 14 1HB SER 14 4.759 -13.029 1.943 87 2HB SER 14 2HB SER 14 4.590 -13.349 0.207 88 HG SER 14 HG SER 14 4.698 -15.414 0.746 89 H ASP 15 H ASP 15 8.244 -13.877 -0.882 90 HA ASP 15 HA ASP 15 8.642 -12.068 -2.705 91 1HB ASP 15 1HB ASP 15 8.548 -13.931 -4.457 92 2HB ASP 15 2HB ASP 15 9.553 -14.258 -3.038 93 HD2 ASP 15 HD2 ASP 15 6.710 -16.737 -3.934 94 H GLY 16 H GLY 16 6.940 -10.540 -3.104 95 1HA GLY 16 1HA GLY 16 4.948 -9.746 -3.824 96 2HA GLY 16 2HA GLY 16 5.254 -10.802 -5.191 97 H THR 17 H THR 17 4.007 -10.939 -1.776 98 HA THR 17 HA THR 17 2.493 -13.307 -2.316 99 HB THR 17 HB THR 17 3.439 -11.797 -0.065 100 HG1 THR 17 1HG THR 17 1.682 -14.130 -0.369 101 1HG2 THR 17 1HG2 THR 17 1.438 -11.810 1.374 102 2HG2 THR 17 2HG2 THR 17 1.118 -10.758 -0.026 103 3HG2 THR 17 3HG2 THR 17 0.437 -12.400 0.027 104 H VAL 18 H VAL 18 0.563 -13.498 -3.255 105 HA VAL 18 HA VAL 18 -0.928 -11.026 -3.698 106 HB VAL 18 HB VAL 18 -1.638 -13.668 -4.901 107 1HG1 VAL 18 1HG1 VAL 18 -3.119 -11.958 -5.521 108 2HG1 VAL 18 2HG1 VAL 18 -1.814 -10.759 -5.698 109 3HG1 VAL 18 3HG1 VAL 18 -1.993 -12.064 -6.894 110 1HG2 VAL 18 1HG2 VAL 18 0.907 -12.188 -5.342 111 2HG2 VAL 18 2HG2 VAL 18 0.534 -13.918 -5.536 112 3HG2 VAL 18 3HG2 VAL 18 0.048 -12.755 -6.793 113 H VAL 19 H VAL 19 -2.711 -10.556 -2.518 114 HA VAL 19 HA VAL 19 -4.311 -12.728 -1.480 115 HB VAL 19 HB VAL 19 -4.229 -11.433 0.800 116 1HG1 VAL 19 1HG1 VAL 19 -3.180 -13.813 -0.145 117 2HG1 VAL 19 2HG1 VAL 19 -1.778 -13.031 0.619 118 3HG1 VAL 19 3HG1 VAL 19 -3.264 -13.310 1.558 119 1HG2 VAL 19 1HG2 VAL 19 -1.947 -10.624 1.333 120 2HG2 VAL 19 2HG2 VAL 19 -1.501 -10.808 -0.381 121 3HG2 VAL 19 3HG2 VAL 19 -2.752 -9.633 0.092 122 H LYS 20 H LYS 20 -6.000 -11.251 0.175 123 HA LYS 20 HA LYS 20 -7.085 -9.349 -1.771 124 1HB LYS 20 1HB LYS 20 -8.324 -11.185 0.257 125 2HB LYS 20 2HB LYS 20 -9.210 -9.767 -0.329 126 1HG LYS 20 1HG LYS 20 -9.412 -10.616 -2.472 127 2HG LYS 20 2HG LYS 20 -7.899 -11.535 -2.378 128 1HD LYS 20 1HD LYS 20 -8.914 -13.286 -1.140 129 2HD LYS 20 2HD LYS 20 -10.311 -12.290 -0.692 130 1HE LYS 20 1HE LYS 20 -11.380 -13.277 -2.428 131 2HE LYS 20 2HE LYS 20 -10.376 -12.275 -3.490 132 1HZ LYS 20 1HZ LYS 20 -9.230 -14.053 -4.090 133 2HZ LYS 20 2HZ LYS 20 -9.041 -14.600 -2.564 134 3HZ LYS 20 3HZ LYS 20 -10.395 -14.965 -3.399 135 H VAL 21 H VAL 21 -7.655 -7.245 -1.149 136 HA VAL 21 HA VAL 21 -6.714 -6.506 1.538 137 HB VAL 21 HB VAL 21 -6.602 -4.907 -1.030 138 1HG1 VAL 21 1HG1 VAL 21 -5.497 -3.193 0.195 139 2HG1 VAL 21 2HG1 VAL 21 -6.953 -3.618 1.127 140 3HG1 VAL 21 3HG1 VAL 21 -5.358 -4.217 1.643 141 1HG2 VAL 21 1HG2 VAL 21 -4.083 -5.128 -0.613 142 2HG2 VAL 21 2HG2 VAL 21 -4.501 -6.455 0.499 143 3HG2 VAL 21 3HG2 VAL 21 -4.935 -6.567 -1.223 144 H ALA 22 H ALA 22 -8.739 -6.692 2.556 145 HA ALA 22 HA ALA 22 -10.957 -5.236 1.359 146 1HB ALA 22 1HB ALA 22 -10.926 -7.632 2.520 147 2HB ALA 22 2HB ALA 22 -11.103 -6.661 4.000 148 3HB ALA 22 3HB ALA 22 -12.318 -6.537 2.705 149 H GLY 23 H GLY 23 -11.663 -3.259 2.067 150 1HA GLY 23 1HA GLY 23 -10.437 -2.218 4.550 151 2HA GLY 23 2HA GLY 23 -10.521 -1.271 3.077 152 H ALA 24 H ALA 24 -12.207 -2.324 5.932 153 HA ALA 24 HA ALA 24 -14.805 -1.546 4.918 154 1HB ALA 24 1HB ALA 24 -14.480 -3.510 6.431 155 2HB ALA 24 2HB ALA 24 -13.918 -2.400 7.703 156 3HB ALA 24 3HB ALA 24 -15.591 -2.293 7.104 157 H GLY 25 H GLY 25 -15.369 0.564 4.816 158 1HA GLY 25 1HA GLY 25 -15.769 2.661 5.596 159 2HA GLY 25 2HA GLY 25 -14.926 2.281 7.084 160 H LEU 26 H LEU 26 -13.579 1.816 3.783 161 HA LEU 26 HA LEU 26 -11.271 3.328 4.504 162 1HB LEU 26 1HB LEU 26 -11.320 1.269 3.104 163 2HB LEU 26 2HB LEU 26 -12.050 2.227 1.803 164 HG LEU 26 HG LEU 26 -9.683 1.940 1.415 165 1HD1 LEU 26 1HD1 LEU 26 -10.274 4.785 2.278 166 2HD1 LEU 26 2HD1 LEU 26 -9.002 4.263 1.146 167 3HD1 LEU 26 3HD1 LEU 26 -10.718 4.053 0.717 168 1HD2 LEU 26 1HD2 LEU 26 -8.074 2.045 2.963 169 2HD2 LEU 26 2HD2 LEU 26 -8.703 3.559 3.654 170 3HD2 LEU 26 3HD2 LEU 26 -9.400 2.000 4.150 171 H GLN 27 H GLN 27 -12.552 3.810 1.259 172 HA GLN 27 HA GLN 27 -12.476 6.627 1.743 173 1HB GLN 27 1HB GLN 27 -11.985 4.949 -0.450 174 2HB GLN 27 2HB GLN 27 -13.452 5.830 -0.902 175 1HG GLN 27 1HG GLN 27 -10.804 7.028 0.015 176 2HG GLN 27 2HG GLN 27 -11.456 7.076 -1.629 177 1HE2 GLN 27 1HE2 GLN 27 -12.265 8.943 -2.156 178 2HE2 GLN 27 2HE2 GLN 27 -13.101 10.060 -1.130 179 H ALA 28 H ALA 28 -14.680 4.532 2.700 180 HA ALA 28 HA ALA 28 -16.816 4.747 3.270 181 1HB ALA 28 1HB ALA 28 -17.605 6.848 3.533 182 2HB ALA 28 2HB ALA 28 -16.051 7.381 2.850 183 3HB ALA 28 3HB ALA 28 -17.474 7.207 1.795 184 H GLY 29 H GLY 29 -15.526 4.433 0.201 185 1HA GLY 29 1HA GLY 29 -16.796 2.753 -1.109 186 2HA GLY 29 2HA GLY 29 -18.173 3.828 -0.979 187 H THR 30 H THR 30 -15.558 5.892 -1.093 188 HA THR 30 HA THR 30 -16.135 6.788 -3.686 189 HB THR 30 HB THR 30 -13.547 7.335 -2.183 190 HG1 THR 30 1HG THR 30 -16.276 8.302 -1.694 191 1HG2 THR 30 1HG2 THR 30 -15.173 8.647 -4.254 192 2HG2 THR 30 2HG2 THR 30 -14.977 9.694 -2.828 193 3HG2 THR 30 3HG2 THR 30 -13.543 9.072 -3.678 194 H ALA 31 H ALA 31 -13.365 7.251 -4.603 195 HA ALA 31 HA ALA 31 -12.575 4.535 -5.336 196 1HB ALA 31 1HB ALA 31 -12.815 4.868 -7.615 197 2HB ALA 31 2HB ALA 31 -14.197 5.813 -7.015 198 3HB ALA 31 3HB ALA 31 -12.690 6.638 -7.481 199 H TYR 32 H TYR 32 -10.520 4.414 -4.582 200 HA TYR 32 HA TYR 32 -8.821 6.778 -5.021 201 1HB TYR 32 1HB TYR 32 -9.320 4.813 -2.773 202 2HB TYR 32 2HB TYR 32 -7.644 5.330 -2.988 203 HD1 TYR 32 1HD TYR 32 -7.959 6.186 -0.596 204 HD2 TYR 32 2HD TYR 32 -10.064 7.816 -3.945 205 HE1 TYR 32 1HE TYR 32 -8.460 8.296 0.736 206 HE2 TYR 32 2HE TYR 32 -10.557 9.918 -2.604 207 HH TYR 32 HH TYR 32 -10.759 10.549 -0.258 208 H ASP 33 H ASP 33 -6.342 5.758 -4.504 209 HA ASP 33 HA ASP 33 -6.148 3.708 -6.566 210 1HB ASP 33 1HB ASP 33 -4.277 5.914 -5.642 211 2HB ASP 33 2HB ASP 33 -3.682 4.562 -6.617 212 HD2 ASP 33 HD2 ASP 33 -4.518 7.245 -8.866 213 H VAL 34 H VAL 34 -5.687 1.685 -5.690 214 HA VAL 34 HA VAL 34 -4.707 1.475 -3.013 215 HB VAL 34 HB VAL 34 -5.799 -0.278 -5.119 216 1HG1 VAL 34 1HG1 VAL 34 -4.940 -2.346 -4.185 217 2HG1 VAL 34 2HG1 VAL 34 -3.580 -1.323 -4.708 218 3HG1 VAL 34 3HG1 VAL 34 -3.991 -1.446 -2.978 219 1HG2 VAL 34 1HG2 VAL 34 -7.279 0.367 -3.392 220 2HG2 VAL 34 2HG2 VAL 34 -6.843 -1.322 -3.032 221 3HG2 VAL 34 3HG2 VAL 34 -6.086 0.007 -2.123 222 H GLY 35 H GLY 35 -2.654 0.917 -2.306 223 1HA GLY 35 1HA GLY 35 -0.639 -0.187 -3.899 224 2HA GLY 35 2HA GLY 35 -0.475 1.557 -3.972 225 H GLN 36 H GLN 36 1.378 -0.371 -2.725 226 HA GLN 36 HA GLN 36 0.967 0.108 0.092 227 1HB GLN 36 1HB GLN 36 3.414 -1.280 -0.927 228 2HB GLN 36 2HB GLN 36 2.407 -1.663 0.480 229 1HG GLN 36 1HG GLN 36 1.285 -3.200 -0.727 230 2HG GLN 36 2HG GLN 36 0.814 -1.971 -1.911 231 1HE2 GLN 36 1HE2 GLN 36 3.000 -1.217 -3.139 232 2HE2 GLN 36 2HE2 GLN 36 3.827 -2.518 -3.931 233 H CYS 37 H CYS 37 1.430 2.284 0.491 234 HA CYS 37 HA CYS 37 4.007 3.241 -0.501 235 1HB CYS 37 1HB CYS 37 1.825 4.476 -0.981 236 2HB CYS 37 2HB CYS 37 1.838 4.938 0.724 237 H ALA 38 H ALA 38 5.352 4.500 1.086 238 HA ALA 38 HA ALA 38 4.829 4.677 3.778 239 1HB ALA 38 1HB ALA 38 5.873 2.001 2.895 240 2HB ALA 38 2HB ALA 38 6.497 2.698 4.411 241 3HB ALA 38 3HB ALA 38 4.753 2.406 4.217 242 H TRP 39 H TRP 39 6.900 5.156 5.037 243 HA TRP 39 HA TRP 39 8.554 6.782 3.405 244 1HB TRP 39 1HB TRP 39 9.812 7.062 5.590 245 2HB TRP 39 2HB TRP 39 8.141 7.623 5.527 246 HD1 TRP 39 HD TRP 39 6.350 6.235 7.044 247 HE1 TRP 39 1HE TRP 39 6.545 4.580 9.093 248 HE3 TRP 39 3HE TRP 39 11.309 5.269 6.466 249 HZ2 TRP 39 2HZ TRP 39 8.703 3.087 10.214 250 HZ3 TRP 39 3HZ TRP 39 12.383 3.703 8.080 251 HH2 TRP 39 HH TRP 39 11.163 2.628 9.904 252 H VAL 40 H VAL 40 10.225 6.049 2.166 253 HA VAL 40 HA VAL 40 11.422 3.487 2.926 254 HB VAL 40 HB VAL 40 10.321 3.895 0.662 255 1HG1 VAL 40 1HG1 VAL 40 12.877 5.475 0.216 256 2HG1 VAL 40 2HG1 VAL 40 11.722 4.990 -1.048 257 3HG1 VAL 40 3HG1 VAL 40 11.221 6.128 0.226 258 1HG2 VAL 40 1HG2 VAL 40 11.794 1.985 1.153 259 2HG2 VAL 40 2HG2 VAL 40 11.998 2.561 -0.520 260 3HG2 VAL 40 3HG2 VAL 40 13.214 2.969 0.716 261 H ASP 41 H ASP 41 12.210 6.856 1.850 262 HA ASP 41 HA ASP 41 14.959 6.413 2.486 263 1HB ASP 41 1HB ASP 41 13.537 8.144 0.820 264 2HB ASP 41 2HB ASP 41 14.090 9.213 2.120 265 HD2 ASP 41 HD2 ASP 41 17.351 7.643 0.795 266 H THR 42 H THR 42 15.492 9.122 3.535 267 HA THR 42 HA THR 42 15.024 8.652 6.284 268 HB THR 42 HB THR 42 16.147 10.947 4.611 269 HG1 THR 42 1HG THR 42 17.201 9.088 6.622 270 1HG2 THR 42 1HG2 THR 42 15.150 11.236 7.244 271 2HG2 THR 42 2HG2 THR 42 16.884 10.894 7.462 272 3HG2 THR 42 3HG2 THR 42 16.367 12.276 6.465 273 H GLY 43 H GLY 43 12.703 8.350 6.382 274 1HA GLY 43 1HA GLY 43 10.678 9.103 7.012 275 2HA GLY 43 2HA GLY 43 11.375 10.698 7.224 276 H VAL 44 H VAL 44 12.026 9.460 4.074 277 HA VAL 44 HA VAL 44 10.151 11.349 2.954 278 HB VAL 44 HB VAL 44 12.080 9.521 1.524 279 1HG1 VAL 44 1HG1 VAL 44 10.347 10.713 0.177 280 2HG1 VAL 44 2HG1 VAL 44 11.009 12.258 0.763 281 3HG1 VAL 44 3HG1 VAL 44 12.015 11.179 -0.232 282 1HG2 VAL 44 1HG2 VAL 44 12.664 12.298 2.607 283 2HG2 VAL 44 2HG2 VAL 44 13.252 10.778 3.322 284 3HG2 VAL 44 3HG2 VAL 44 13.771 11.253 1.686 285 H LEU 45 H LEU 45 8.070 10.758 2.635 286 HA LEU 45 HA LEU 45 7.289 8.046 2.608 287 1HB LEU 45 1HB LEU 45 6.061 10.687 2.520 288 2HB LEU 45 2HB LEU 45 5.181 9.477 1.572 289 HG LEU 45 HG LEU 45 5.980 9.039 4.452 290 1HD1 LEU 45 1HD1 LEU 45 3.389 10.224 3.422 291 2HD1 LEU 45 2HD1 LEU 45 3.713 9.723 5.098 292 3HD1 LEU 45 3HD1 LEU 45 4.632 11.064 4.377 293 1HD2 LEU 45 1HD2 LEU 45 3.820 7.550 4.186 294 2HD2 LEU 45 2HD2 LEU 45 4.258 7.616 2.462 295 3HD2 LEU 45 3HD2 LEU 45 5.414 6.969 3.650 296 H ALA 46 H ALA 46 7.863 6.674 1.002 297 HA ALA 46 HA ALA 46 7.539 7.683 -1.740 298 1HB ALA 46 1HB ALA 46 9.929 7.342 -1.009 299 2HB ALA 46 2HB ALA 46 9.551 5.617 -0.769 300 3HB ALA 46 3HB ALA 46 9.439 6.336 -2.394 301 H CYS 47 H CYS 47 6.510 6.288 -3.223 302 HA CYS 47 HA CYS 47 5.201 4.015 -1.927 303 1HB CYS 47 1HB CYS 47 4.263 5.342 -4.453 304 2HB CYS 47 2HB CYS 47 3.361 4.294 -3.353 305 H ASN 48 H ASN 48 5.019 2.015 -3.218 306 HA ASN 48 HA ASN 48 7.385 1.571 -4.701 307 1HB ASN 48 1HB ASN 48 5.074 -0.374 -4.708 308 2HB ASN 48 2HB ASN 48 6.807 -0.714 -4.562 309 1HD2 ASN 48 1HD2 ASN 48 7.264 1.353 -2.588 310 2HD2 ASN 48 2HD2 ASN 48 6.621 0.798 -1.079 311 HA PRO 49 HA PRO 49 5.652 1.806 -8.729 312 1HB PRO 49 1HB PRO 49 6.577 -0.386 -10.069 313 2HB PRO 49 2HB PRO 49 7.557 1.048 -9.773 314 1HG PRO 49 1HG PRO 49 7.597 -1.586 -8.447 315 2HG PRO 49 2HG PRO 49 8.883 -0.327 -8.479 316 1HD PRO 49 1HD PRO 49 7.107 -1.000 -6.338 317 2HD PRO 49 2HD PRO 49 8.246 0.352 -6.378 318 H ALA 50 H ALA 50 4.721 -0.753 -6.776 319 HA ALA 50 HA ALA 50 2.553 -1.401 -8.647 320 1HB ALA 50 1HB ALA 50 3.465 -2.952 -6.198 321 2HB ALA 50 2HB ALA 50 2.387 -3.506 -7.500 322 3HB ALA 50 3HB ALA 50 4.114 -3.230 -7.831 323 H ASP 51 H ASP 51 2.980 0.981 -6.683 324 HA ASP 51 HA ASP 51 0.915 0.456 -4.769 325 1HB ASP 51 1HB ASP 51 2.623 1.814 -3.895 326 2HB ASP 51 2HB ASP 51 2.788 2.751 -5.386 327 HD2 ASP 51 HD2 ASP 51 0.136 3.876 -2.664 328 H PHE 52 H PHE 52 0.868 0.969 -8.003 329 HA PHE 52 HA PHE 52 -1.291 2.949 -7.925 330 1HB PHE 52 1HB PHE 52 -0.059 1.881 -10.466 331 2HB PHE 52 2HB PHE 52 -0.535 3.541 -10.092 332 HD1 PHE 52 1HD PHE 52 0.972 4.357 -7.860 333 HD2 PHE 52 2HD PHE 52 2.165 1.719 -10.964 334 HE1 PHE 52 1HE PHE 52 3.377 4.929 -7.424 335 HE2 PHE 52 2HE PHE 52 4.570 2.292 -10.526 336 HZ PHE 52 HZ PHE 52 5.148 3.890 -8.762 337 H SER 53 H SER 53 -3.095 1.671 -7.412 338 HA SER 53 HA SER 53 -3.874 -0.096 -9.551 339 1HB SER 53 1HB SER 53 -2.941 -1.735 -8.125 340 2HB SER 53 2HB SER 53 -3.550 -0.946 -6.657 341 HG SER 53 HG SER 53 -4.706 -2.901 -8.143 342 H SER 54 H SER 54 -5.328 1.747 -9.966 343 HA SER 54 HA SER 54 -6.931 2.966 -8.199 344 1HB SER 54 1HB SER 54 -8.468 3.394 -10.076 345 2HB SER 54 2HB SER 54 -6.780 3.559 -10.590 346 HG SER 54 HG SER 54 -6.988 1.852 -11.903 347 H VAL 55 H VAL 55 -8.829 2.506 -7.054 348 HA VAL 55 HA VAL 55 -10.441 0.254 -7.762 349 HB VAL 55 HB VAL 55 -8.279 -0.443 -6.339 350 1HG1 VAL 55 1HG1 VAL 55 -8.860 -0.670 -3.963 351 2HG1 VAL 55 2HG1 VAL 55 -8.802 1.040 -4.454 352 3HG1 VAL 55 3HG1 VAL 55 -10.372 0.228 -4.243 353 1HG2 VAL 55 1HG2 VAL 55 -10.592 -1.652 -7.159 354 2HG2 VAL 55 2HG2 VAL 55 -9.276 -2.465 -6.280 355 3HG2 VAL 55 3HG2 VAL 55 -10.693 -1.853 -5.394 356 H THR 56 H THR 56 -12.320 0.064 -6.154 357 HA THR 56 HA THR 56 -12.762 2.610 -4.761 358 HB THR 56 HB THR 56 -14.097 1.561 -7.178 359 HG1 THR 56 1HG THR 56 -14.820 3.882 -6.956 360 1HG2 THR 56 1HG2 THR 56 -16.380 2.216 -6.484 361 2HG2 THR 56 2HG2 THR 56 -15.824 0.867 -5.465 362 3HG2 THR 56 3HG2 THR 56 -15.810 2.529 -4.828 363 H ALA 57 H ALA 57 -14.474 2.508 -3.115 364 HA ALA 57 HA ALA 57 -14.492 -0.174 -1.938 365 1HB ALA 57 1HB ALA 57 -14.726 2.638 -0.827 366 2HB ALA 57 2HB ALA 57 -15.170 1.205 0.133 367 3HB ALA 57 3HB ALA 57 -13.504 1.396 -0.462 368 H ASP 58 H ASP 58 -16.488 -1.013 -1.029 369 HA ASP 58 HA ASP 58 -18.652 -0.560 -2.725 370 1HB ASP 58 1HB ASP 58 -18.817 -1.825 0.030 371 2HB ASP 58 2HB ASP 58 -19.795 -2.209 -1.393 372 HD2 ASP 58 HD2 ASP 58 -17.280 -4.786 -0.943 373 H ALA 59 H ALA 59 -20.933 0.047 -1.844 374 HA ALA 59 HA ALA 59 -21.123 2.564 -0.996 375 1HB ALA 59 1HB ALA 59 -23.347 1.646 0.147 376 2HB ALA 59 2HB ALA 59 -23.140 1.618 -1.621 377 3HB ALA 59 3HB ALA 59 -22.864 0.138 -0.670 378 H ASN 60 H ASN 60 -20.663 -0.331 1.094 379 HA ASN 60 HA ASN 60 -20.752 1.314 3.432 380 1HB ASN 60 1HB ASN 60 -21.410 -1.270 3.035 381 2HB ASN 60 2HB ASN 60 -19.718 -1.523 3.491 382 1HD2 ASN 60 1HD2 ASN 60 -20.741 -2.676 5.279 383 2HD2 ASN 60 2HD2 ASN 60 -21.205 -1.810 6.705 384 H GLY 61 H GLY 61 -18.712 2.067 1.518 385 1HA GLY 61 1HA GLY 61 -16.481 2.313 1.223 386 2HA GLY 61 2HA GLY 61 -16.489 2.510 2.964 387 H SER 62 H SER 62 -17.181 -0.448 0.986 388 HA SER 62 HA SER 62 -15.055 -1.735 2.498 389 1HB SER 62 1HB SER 62 -17.488 -2.839 1.052 390 2HB SER 62 2HB SER 62 -16.218 -3.874 1.724 391 HG SER 62 HG SER 62 -18.187 -3.423 3.097 392 H ALA 63 H ALA 63 -13.165 -1.479 1.305 393 HA ALA 63 HA ALA 63 -13.335 -1.920 -1.580 394 1HB ALA 63 1HB ALA 63 -12.099 -0.019 -1.430 395 2HB ALA 63 2HB ALA 63 -11.644 -0.328 0.263 396 3HB ALA 63 3HB ALA 63 -10.763 -1.134 -1.058 397 H SER 64 H SER 64 -13.387 -4.145 -1.863 398 HA SER 64 HA SER 64 -11.310 -5.623 -0.459 399 1HB SER 64 1HB SER 64 -12.651 -7.645 -1.171 400 2HB SER 64 2HB SER 64 -13.497 -6.554 -0.057 401 HG SER 64 HG SER 64 -14.806 -5.838 -1.712 402 H THR 65 H THR 65 -9.678 -4.731 -2.008 403 HA THR 65 HA THR 65 -9.894 -5.972 -4.670 404 HB THR 65 HB THR 65 -9.810 -3.470 -4.627 405 HG1 THR 65 1HG THR 65 -7.639 -3.493 -5.864 406 1HG2 THR 65 1HG2 THR 65 -7.664 -4.000 -2.682 407 2HG2 THR 65 2HG2 THR 65 -7.082 -3.009 -4.041 408 3HG2 THR 65 3HG2 THR 65 -8.468 -2.461 -3.069 409 H SER 66 H SER 66 -8.294 -7.301 -5.446 410 HA SER 66 HA SER 66 -6.554 -8.296 -3.384 411 1HB SER 66 1HB SER 66 -6.187 -10.177 -4.838 412 2HB SER 66 2HB SER 66 -7.920 -9.810 -4.889 413 HG SER 66 HG SER 66 -7.489 -9.952 -7.018 414 H LEU 67 H LEU 67 -4.306 -8.051 -3.364 415 HA LEU 67 HA LEU 67 -3.035 -6.970 -5.742 416 1HB LEU 67 1HB LEU 67 -3.885 -5.271 -3.759 417 2HB LEU 67 2HB LEU 67 -2.193 -5.565 -3.325 418 HG LEU 67 HG LEU 67 -2.737 -3.545 -4.796 419 1HD1 LEU 67 1HD1 LEU 67 -0.495 -5.093 -4.553 420 2HD1 LEU 67 2HD1 LEU 67 -0.728 -5.061 -6.318 421 3HD1 LEU 67 3HD1 LEU 67 -0.584 -3.536 -5.412 422 1HD2 LEU 67 1HD2 LEU 67 -3.258 -3.777 -7.040 423 2HD2 LEU 67 2HD2 LEU 67 -2.732 -5.475 -7.098 424 3HD2 LEU 67 3HD2 LEU 67 -4.255 -5.046 -6.286 425 H THR 68 H THR 68 -0.564 -6.952 -5.413 426 HA THR 68 HA THR 68 0.110 -9.345 -3.838 427 HB THR 68 HB THR 68 0.360 -9.395 -6.373 428 HG1 THR 68 1HG THR 68 2.713 -9.371 -4.620 429 1HG2 THR 68 1HG2 THR 68 2.805 -8.178 -6.778 430 2HG2 THR 68 2HG2 THR 68 1.253 -7.458 -7.269 431 3HG2 THR 68 3HG2 THR 68 2.005 -6.986 -5.726 432 H VAL 69 H VAL 69 1.889 -9.377 -2.457 433 HA VAL 69 HA VAL 69 2.618 -6.730 -1.519 434 HB VAL 69 HB VAL 69 3.102 -9.511 -0.431 435 1HG1 VAL 69 1HG1 VAL 69 3.717 -8.289 1.680 436 2HG1 VAL 69 2HG1 VAL 69 4.883 -8.105 0.348 437 3HG1 VAL 69 3HG1 VAL 69 3.752 -6.785 0.729 438 1HG2 VAL 69 1HG2 VAL 69 0.736 -8.829 -0.415 439 2HG2 VAL 69 2HG2 VAL 69 1.402 -8.923 1.234 440 3HG2 VAL 69 3HG2 VAL 69 1.171 -7.339 0.456 441 H ARG 70 H ARG 70 3.967 -6.040 -3.281 442 HA ARG 70 HA ARG 70 6.239 -7.686 -3.853 443 1HB ARG 70 1HB ARG 70 5.412 -4.931 -4.876 444 2HB ARG 70 2HB ARG 70 6.786 -5.856 -5.505 445 1HG ARG 70 1HG ARG 70 4.109 -7.212 -5.396 446 2HG ARG 70 2HG ARG 70 4.337 -5.961 -6.632 447 1HD ARG 70 1HD ARG 70 5.601 -7.351 -7.891 448 2HD ARG 70 2HD ARG 70 6.649 -7.751 -6.520 449 HE ARG 70 HE ARG 70 4.308 -9.168 -6.029 450 1HH1 ARG 70 1HH1 ARG 70 6.568 -8.995 -8.721 451 2HH1 ARG 70 2HH1 ARG 70 6.283 -10.627 -9.231 452 1HH2 ARG 70 1HH2 ARG 70 3.931 -11.318 -6.700 453 2HH2 ARG 70 2HH2 ARG 70 4.773 -11.957 -8.074 454 H ARG 71 H ARG 71 7.109 -7.535 -1.579 455 HA ARG 71 HA ARG 71 7.717 -5.207 -0.332 456 1HB ARG 71 1HB ARG 71 7.999 -7.760 0.343 457 2HB ARG 71 2HB ARG 71 9.666 -7.527 -0.209 458 1HG ARG 71 1HG ARG 71 10.136 -5.971 1.476 459 2HG ARG 71 2HG ARG 71 8.436 -5.525 1.696 460 1HD ARG 71 1HD ARG 71 9.372 -6.890 3.587 461 2HD ARG 71 2HD ARG 71 7.980 -7.661 2.811 462 HE ARG 71 HE ARG 71 9.452 -9.280 1.828 463 1HH1 ARG 71 1HH1 ARG 71 11.185 -6.918 3.778 464 2HH1 ARG 71 2HH1 ARG 71 12.632 -7.862 3.865 465 1HH2 ARG 71 1HH2 ARG 71 11.363 -10.527 1.942 466 2HH2 ARG 71 2HH2 ARG 71 12.735 -9.929 2.813 467 H SER 72 H SER 72 9.333 -6.832 -3.050 468 HA SER 72 HA SER 72 11.475 -4.866 -2.886 469 1HB SER 72 1HB SER 72 12.750 -6.350 -4.355 470 2HB SER 72 2HB SER 72 12.165 -7.260 -2.952 471 HG SER 72 HG SER 72 10.242 -7.572 -4.700 472 H PHE 73 H PHE 73 11.627 -3.269 -4.452 473 HA PHE 73 HA PHE 73 11.121 -3.346 -7.051 474 1HB PHE 73 1HB PHE 73 8.641 -3.541 -5.439 475 2HB PHE 73 2HB PHE 73 8.584 -2.162 -6.541 476 HD1 PHE 73 1HD PHE 73 10.485 -5.138 -7.455 477 HD2 PHE 73 2HD PHE 73 6.732 -3.181 -7.764 478 HE1 PHE 73 1HE PHE 73 9.836 -6.679 -9.326 479 HE2 PHE 73 2HE PHE 73 6.083 -4.720 -9.637 480 HZ PHE 73 HZ PHE 73 7.644 -6.453 -10.395 481 H GLU 74 H GLU 74 11.922 -1.431 -7.792 482 HA GLU 74 HA GLU 74 12.257 0.670 -5.928 483 1HB GLU 74 1HB GLU 74 14.018 0.253 -7.499 484 2HB GLU 74 2HB GLU 74 12.919 0.373 -8.883 485 1HG GLU 74 1HG GLU 74 13.228 2.603 -8.984 486 2HG GLU 74 2HG GLU 74 12.764 2.799 -7.286 487 HE2 GLU 74 HE2 GLU 74 16.607 2.705 -8.265 488 H GLY 75 H GLY 75 10.677 2.116 -5.407 489 1HA GLY 75 1HA GLY 75 8.609 2.687 -7.425 490 2HA GLY 75 2HA GLY 75 8.458 2.882 -5.690 491 H PHE 76 H PHE 76 7.852 5.099 -5.784 492 HA PHE 76 HA PHE 76 10.063 6.860 -6.576 493 1HB PHE 76 1HB PHE 76 7.060 6.886 -7.067 494 2HB PHE 76 2HB PHE 76 7.899 8.438 -6.951 495 HD1 PHE 76 1HD PHE 76 8.373 9.377 -8.988 496 HD2 PHE 76 2HD PHE 76 8.523 5.151 -8.631 497 HE1 PHE 76 1HE PHE 76 9.016 9.197 -11.406 498 HE2 PHE 76 2HE PHE 76 9.168 4.970 -11.050 499 HZ PHE 76 HZ PHE 76 9.407 6.995 -12.409 500 H LEU 77 H LEU 77 10.285 8.826 -5.322 501 HA LEU 77 HA LEU 77 9.289 8.460 -2.619 502 1HB LEU 77 1HB LEU 77 11.459 10.069 -3.901 503 2HB LEU 77 2HB LEU 77 10.886 10.470 -2.272 504 HG LEU 77 HG LEU 77 11.586 7.631 -2.720 505 1HD1 LEU 77 1HD1 LEU 77 13.308 8.747 -4.087 506 2HD1 LEU 77 2HD1 LEU 77 13.772 9.728 -2.676 507 3HD1 LEU 77 3HD1 LEU 77 13.987 7.961 -2.640 508 1HD2 LEU 77 1HD2 LEU 77 12.164 7.663 -0.505 509 2HD2 LEU 77 2HD2 LEU 77 12.698 9.362 -0.548 510 3HD2 LEU 77 3HD2 LEU 77 10.961 8.973 -0.541 511 H PHE 78 H PHE 78 8.726 10.658 -1.450 512 HA PHE 78 HA PHE 78 6.350 11.550 -2.541 513 1HB PHE 78 1HB PHE 78 6.338 12.866 -0.570 514 2HB PHE 78 2HB PHE 78 7.562 11.666 -0.136 515 HD1 PHE 78 1HD PHE 78 6.850 15.012 0.019 516 HD2 PHE 78 2HD PHE 78 10.013 12.424 -1.125 517 HE1 PHE 78 1HE PHE 78 8.500 16.861 0.410 518 HE2 PHE 78 2HE PHE 78 11.665 14.272 -0.735 519 HZ PHE 78 HZ PHE 78 10.890 16.468 0.027 520 H ASP 79 H ASP 79 9.688 12.666 -3.018 521 HA ASP 79 HA ASP 79 8.971 15.197 -3.996 522 1HB ASP 79 1HB ASP 79 11.255 14.345 -3.123 523 2HB ASP 79 2HB ASP 79 11.480 13.635 -4.728 524 HD2 ASP 79 HD2 ASP 79 12.190 16.712 -6.139 525 H GLY 80 H GLY 80 10.356 12.233 -5.628 526 1HA GLY 80 1HA GLY 80 8.535 11.927 -7.644 527 2HA GLY 80 2HA GLY 80 9.633 13.155 -8.244 528 H THR 81 H THR 81 11.947 12.043 -6.612 529 HA THR 81 HA THR 81 13.263 10.614 -8.469 530 HB THR 81 HB THR 81 13.350 10.280 -5.424 531 HG1 THR 81 1HG THR 81 14.880 11.901 -7.324 532 1HG2 THR 81 1HG2 THR 81 14.768 8.569 -6.498 533 2HG2 THR 81 2HG2 THR 81 15.429 9.784 -7.618 534 3HG2 THR 81 3HG2 THR 81 15.810 9.875 -5.882 535 H ARG 82 H ARG 82 13.816 8.361 -8.797 536 HA ARG 82 HA ARG 82 11.433 6.771 -8.470 537 1HB ARG 82 1HB ARG 82 12.663 5.207 -10.075 538 2HB ARG 82 2HB ARG 82 12.292 6.809 -10.733 539 1HG ARG 82 1HG ARG 82 14.483 7.275 -11.019 540 2HG ARG 82 2HG ARG 82 14.878 6.798 -9.359 541 1HD ARG 82 1HD ARG 82 14.575 4.346 -10.316 542 2HD ARG 82 2HD ARG 82 14.847 5.124 -11.882 543 HE ARG 82 HE ARG 82 16.836 5.957 -9.956 544 1HH1 ARG 82 1HH1 ARG 82 15.933 3.253 -12.020 545 2HH1 ARG 82 2HH1 ARG 82 17.551 2.649 -12.154 546 1HH2 ARG 82 1HH2 ARG 82 18.970 5.160 -10.131 547 2HH2 ARG 82 2HH2 ARG 82 19.291 3.742 -11.070 548 H TRP 83 H TRP 83 11.957 6.566 -6.064 549 HA TRP 83 HA TRP 83 14.062 4.559 -5.628 550 1HB TRP 83 1HB TRP 83 14.478 6.662 -4.487 551 2HB TRP 83 2HB TRP 83 12.894 6.588 -3.715 552 HD1 TRP 83 HD TRP 83 12.914 3.603 -2.627 553 HE1 TRP 83 1HE TRP 83 14.516 2.789 -0.696 554 HE3 TRP 83 3HE TRP 83 16.366 7.290 -3.221 555 HZ2 TRP 83 2HZ TRP 83 16.992 3.756 0.343 556 HZ3 TRP 83 3HZ TRP 83 18.345 7.281 -1.707 557 HH2 TRP 83 HH TRP 83 18.689 5.595 0.029 558 H GLY 84 H GLY 84 11.264 5.570 -3.590 559 1HA GLY 84 1HA GLY 84 9.589 4.378 -2.684 560 2HA GLY 84 2HA GLY 84 9.425 3.633 -4.260 561 H THR 85 H THR 85 9.307 2.619 -1.315 562 HA THR 85 HA THR 85 10.572 1.076 -0.050 563 HB THR 85 HB THR 85 8.829 -0.047 -2.270 564 HG1 THR 85 1HG THR 85 8.279 1.188 -0.140 565 1HG2 THR 85 1HG2 THR 85 10.225 -1.599 -0.029 566 2HG2 THR 85 2HG2 THR 85 8.812 -2.203 -0.930 567 3HG2 THR 85 3HG2 THR 85 10.354 -1.920 -1.775 568 H VAL 86 H VAL 86 10.807 -0.477 -3.291 569 HA VAL 86 HA VAL 86 12.586 -1.081 -4.480 570 HB VAL 86 HB VAL 86 13.563 1.122 -3.037 571 1HG1 VAL 86 1HG1 VAL 86 14.854 -0.270 -1.568 572 2HG1 VAL 86 2HG1 VAL 86 15.472 -1.233 -2.930 573 3HG1 VAL 86 3HG1 VAL 86 15.973 0.464 -2.743 574 1HG2 VAL 86 1HG2 VAL 86 15.484 0.598 -4.940 575 2HG2 VAL 86 2HG2 VAL 86 14.074 -0.293 -5.562 576 3HG2 VAL 86 3HG2 VAL 86 13.948 1.451 -5.226 577 H ASP 87 H ASP 87 13.287 -1.188 -0.918 578 HA ASP 87 HA ASP 87 13.395 -4.048 -1.148 579 1HB ASP 87 1HB ASP 87 15.762 -2.852 -1.429 580 2HB ASP 87 2HB ASP 87 15.667 -2.713 0.333 581 HD2 ASP 87 HD2 ASP 87 15.587 -6.499 -0.802 582 H CYS 88 H CYS 88 11.478 -3.913 0.234 583 HA CYS 88 HA CYS 88 11.504 -2.384 2.607 584 1HB CYS 88 1HB CYS 88 9.651 -4.021 1.134 585 2HB CYS 88 2HB CYS 88 9.572 -4.413 2.853 586 H THR 89 H THR 89 13.866 -3.515 2.918 587 HA THR 89 HA THR 89 13.564 -6.062 4.319 588 HB THR 89 HB THR 89 16.031 -4.434 3.508 589 HG1 THR 89 1HG THR 89 14.604 -6.773 2.446 590 1HG2 THR 89 1HG2 THR 89 16.083 -7.409 3.816 591 2HG2 THR 89 2HG2 THR 89 17.331 -6.208 4.230 592 3HG2 THR 89 3HG2 THR 89 15.966 -6.493 5.339 593 H THR 90 H THR 90 13.239 -2.807 5.028 594 HA THR 90 HA THR 90 13.616 -3.374 7.843 595 HB THR 90 HB THR 90 15.195 -1.242 6.318 596 HG1 THR 90 1HG THR 90 16.915 -2.557 7.331 597 1HG2 THR 90 1HG2 THR 90 16.194 -1.143 8.826 598 2HG2 THR 90 2HG2 THR 90 14.851 -0.087 8.330 599 3HG2 THR 90 3HG2 THR 90 14.519 -1.577 9.243 600 H ALA 91 H ALA 91 12.746 -1.011 5.264 601 HA ALA 91 HA ALA 91 11.062 0.453 7.054 602 1HB ALA 91 1HB ALA 91 11.796 0.517 4.139 603 2HB ALA 91 2HB ALA 91 10.335 1.379 4.674 604 3HB ALA 91 3HB ALA 91 11.919 1.795 5.370 605 H ALA 92 H ALA 92 8.886 0.205 7.430 606 HA ALA 92 HA ALA 92 7.699 -2.223 6.433 607 1HB ALA 92 1HB ALA 92 7.575 -1.259 8.826 608 2HB ALA 92 2HB ALA 92 6.395 -0.103 8.165 609 3HB ALA 92 3HB ALA 92 6.058 -1.851 8.105 610 H CYS 93 H CYS 93 6.343 -2.390 4.710 611 HA CYS 93 HA CYS 93 5.679 0.076 3.350 612 1HB CYS 93 1HB CYS 93 4.700 -2.323 2.078 613 2HB CYS 93 2HB CYS 93 5.821 -1.099 1.476 614 H GLN 94 H GLN 94 3.648 0.991 3.492 615 HA GLN 94 HA GLN 94 1.663 -0.565 4.921 616 1HB GLN 94 1HB GLN 94 2.018 2.393 4.370 617 2HB GLN 94 2HB GLN 94 0.490 1.750 4.998 618 1HG GLN 94 1HG GLN 94 1.531 0.969 6.999 619 2HG GLN 94 2HG GLN 94 3.161 1.150 6.329 620 1HE2 GLN 94 1HE2 GLN 94 3.943 3.285 5.893 621 2HE2 GLN 94 2HE2 GLN 94 3.411 4.639 6.834 622 H VAL 95 H VAL 95 0.115 -1.615 3.760 623 HA VAL 95 HA VAL 95 -0.292 -0.821 1.001 624 HB VAL 95 HB VAL 95 -1.605 -3.099 2.471 625 1HG1 VAL 95 1HG1 VAL 95 -0.696 -3.015 -0.407 626 2HG1 VAL 95 2HG1 VAL 95 -1.913 -4.067 0.355 627 3HG1 VAL 95 3HG1 VAL 95 -2.265 -2.341 0.096 628 1HG2 VAL 95 1HG2 VAL 95 0.291 -4.529 1.789 629 2HG2 VAL 95 2HG2 VAL 95 1.162 -3.087 1.218 630 3HG2 VAL 95 3HG2 VAL 95 0.783 -3.272 2.947 631 H GLY 96 H GLY 96 -1.782 0.697 0.513 632 1HA GLY 96 1HA GLY 96 -4.429 0.533 1.627 633 2HA GLY 96 2HA GLY 96 -3.522 1.916 2.209 634 H LEU 97 H LEU 97 -5.772 2.478 0.768 635 HA LEU 97 HA LEU 97 -4.805 3.048 -1.940 636 1HB LEU 97 1HB LEU 97 -7.365 3.591 -2.159 637 2HB LEU 97 2HB LEU 97 -6.730 1.944 -2.323 638 HG LEU 97 HG LEU 97 -7.803 3.007 0.290 639 1HD1 LEU 97 1HD1 LEU 97 -9.305 2.101 -2.118 640 2HD1 LEU 97 2HD1 LEU 97 -9.868 1.534 -0.527 641 3HD1 LEU 97 3HD1 LEU 97 -9.747 3.280 -0.856 642 1HD2 LEU 97 1HD2 LEU 97 -6.424 0.706 -0.305 643 2HD2 LEU 97 2HD2 LEU 97 -7.493 0.947 1.100 644 3HD2 LEU 97 3HD2 LEU 97 -8.121 0.169 -0.373 645 H SER 98 H SER 98 -4.168 5.081 -2.395 646 HA SER 98 HA SER 98 -4.778 7.092 -0.416 647 1HB SER 98 1HB SER 98 -3.020 8.392 -1.438 648 2HB SER 98 2HB SER 98 -2.427 6.730 -1.265 649 HG SER 98 HG SER 98 -1.908 7.553 -3.354 650 H ASP 99 H ASP 99 -5.319 9.379 -1.289 651 HA ASP 99 HA ASP 99 -7.594 9.110 -2.930 652 1HB ASP 99 1HB ASP 99 -6.424 11.816 -2.465 653 2HB ASP 99 2HB ASP 99 -8.090 11.261 -2.234 654 HD2 ASP 99 HD2 ASP 99 -7.505 11.361 1.122 655 H ALA 100 H ALA 100 -7.911 10.508 -4.960 656 HA ALA 100 HA ALA 100 -5.565 10.280 -6.630 657 1HB ALA 100 1HB ALA 100 -7.302 9.597 -7.923 658 2HB ALA 100 2HB ALA 100 -8.502 10.483 -6.948 659 3HB ALA 100 3HB ALA 100 -7.559 11.340 -8.192 660 H ALA 101 H ALA 101 -6.259 12.422 -4.340 661 HA ALA 101 HA ALA 101 -5.915 14.817 -5.968 662 1HB ALA 101 1HB ALA 101 -7.329 14.191 -3.601 663 2HB ALA 101 2HB ALA 101 -5.984 15.242 -3.098 664 3HB ALA 101 3HB ALA 101 -7.126 15.795 -4.346 665 H GLY 102 H GLY 102 -4.567 13.932 -2.732 666 1HA GLY 102 1HA GLY 102 -1.927 13.514 -3.497 667 2HA GLY 102 2HA GLY 102 -2.108 15.239 -3.249 668 H ASN 103 H ASN 103 -3.693 12.437 -1.571 669 HA ASN 103 HA ASN 103 -2.314 13.299 0.841 670 1HB ASN 103 1HB ASN 103 -5.228 12.396 0.796 671 2HB ASN 103 2HB ASN 103 -4.357 13.131 2.151 672 1HD2 ASN 103 1HD2 ASN 103 -6.802 13.796 0.442 673 2HD2 ASN 103 2HD2 ASN 103 -6.603 15.461 0.003 674 H GLY 104 H GLY 104 -2.231 11.491 2.508 675 1HA GLY 104 1HA GLY 104 -2.618 8.828 1.275 676 2HA GLY 104 2HA GLY 104 -1.181 9.259 2.182 677 HA PRO 105 HA PRO 105 -4.933 8.517 5.024 678 1HB PRO 105 1HB PRO 105 -6.362 6.301 4.316 679 2HB PRO 105 2HB PRO 105 -6.882 7.943 3.947 680 1HG PRO 105 1HG PRO 105 -5.667 5.898 2.202 681 2HG PRO 105 2HG PRO 105 -6.621 7.352 1.731 682 1HD PRO 105 1HD PRO 105 -3.790 6.949 1.569 683 2HD PRO 105 2HD PRO 105 -4.662 8.454 1.245 684 H GLU 106 H GLU 106 -5.695 6.155 6.208 685 HA GLU 106 HA GLU 106 -3.151 5.400 7.205 686 1HB GLU 106 1HB GLU 106 -5.851 5.330 8.088 687 2HB GLU 106 2HB GLU 106 -5.283 3.652 8.103 688 1HG GLU 106 1HG GLU 106 -4.422 4.207 10.135 689 2HG GLU 106 2HG GLU 106 -3.121 4.965 9.201 690 HE2 GLU 106 HE2 GLU 106 -5.948 7.351 10.724 691 H GLY 107 H GLY 107 -2.023 3.450 6.915 692 1HA GLY 107 1HA GLY 107 -3.158 1.637 4.867 693 2HA GLY 107 2HA GLY 107 -1.465 2.076 4.965 694 H VAL 108 H VAL 108 -2.065 -0.607 4.986 695 HA VAL 108 HA VAL 108 -1.972 -1.373 7.812 696 HB VAL 108 HB VAL 108 -3.725 -2.286 6.222 697 1HG1 VAL 108 1HG1 VAL 108 -3.109 -4.052 4.696 698 2HG1 VAL 108 2HG1 VAL 108 -2.160 -2.600 4.296 699 3HG1 VAL 108 3HG1 VAL 108 -1.400 -3.943 5.185 700 1HG2 VAL 108 1HG2 VAL 108 -2.585 -3.355 8.423 701 2HG2 VAL 108 2HG2 VAL 108 -3.902 -4.142 7.521 702 3HG2 VAL 108 3HG2 VAL 108 -2.214 -4.635 7.243 703 H ALA 109 H ALA 109 0.031 -1.647 8.638 704 HA ALA 109 HA ALA 109 2.323 -1.724 7.041 705 1HB ALA 109 1HB ALA 109 2.743 -2.919 9.641 706 2HB ALA 109 2HB ALA 109 3.231 -1.311 9.053 707 3HB ALA 109 3HB ALA 109 1.627 -1.540 9.789 708 H ILE 110 H ILE 110 2.163 -3.343 5.435 709 HA ILE 110 HA ILE 110 1.862 -6.079 6.407 710 HB ILE 110 HB ILE 110 0.828 -4.749 4.232 711 1HG1 ILE 110 1HG1 ILE 110 -0.133 -6.691 5.297 712 2HG1 ILE 110 2HG1 ILE 110 0.009 -6.968 3.552 713 1HG2 ILE 110 1HG2 ILE 110 1.795 -5.720 2.241 714 2HG2 ILE 110 2HG2 ILE 110 3.040 -4.809 3.126 715 3HG2 ILE 110 3HG2 ILE 110 3.010 -6.586 3.210 716 1HD1 ILE 110 1HD1 ILE 110 0.910 -8.680 5.552 717 2HD1 ILE 110 2HD1 ILE 110 1.448 -8.708 3.855 718 3HD1 ILE 110 3HD1 ILE 110 2.394 -7.823 5.075 719 H SER 111 H SER 111 3.569 -7.435 6.636 720 HA SER 111 HA SER 111 5.684 -7.704 5.062 721 1HB SER 111 1HB SER 111 6.784 -5.717 5.201 722 2HB SER 111 2HB SER 111 5.999 -5.264 6.724 723 HG SER 111 HG SER 111 8.501 -6.097 6.391 724 H PHE 112 H PHE 112 4.852 -7.152 8.540 725 HA PHE 112 HA PHE 112 5.558 -9.899 9.081 726 1HB PHE 112 1HB PHE 112 7.273 -9.356 10.645 727 2HB PHE 112 2HB PHE 112 7.571 -8.166 9.373 728 HD1 PHE 112 1HD PHE 112 7.532 -5.880 9.872 729 HD2 PHE 112 2HD PHE 112 5.882 -8.632 12.648 730 HE1 PHE 112 1HE PHE 112 7.297 -4.037 11.559 731 HE2 PHE 112 2HE PHE 112 5.647 -6.789 14.336 732 HZ PHE 112 HZ PHE 112 6.355 -4.513 13.772 733 H ASN 113 H ASN 113 4.235 -10.778 10.651 734 HA ASN 113 HA ASN 113 1.969 -9.458 11.371 735 1HB ASN 113 1HB ASN 113 3.376 -11.946 12.151 736 2HB ASN 113 2HB ASN 113 2.330 -11.318 13.433 737 1HD2 ASN 113 1HD2 ASN 113 0.113 -10.735 12.812 738 2HD2 ASN 113 2HD2 ASN 113 -0.724 -11.707 11.647 739 6H NCZ 130 6H NCZ 130 1.263 13.740 -0.279 740 6H1 NCZ 130 6H1 NCZ 130 -0.415 11.389 0.091 741 5H1 NCZ 130 5H1 NCZ 130 0.294 12.599 2.331 742 4H1 NCZ 130 4H1 NCZ 130 2.969 11.975 2.554 743 5H NCZ 130 5H NCZ 130 4.092 11.708 -0.890 744 3H1 NCZ 130 3H1 NCZ 130 3.363 10.302 0.823 745 2H1 NCZ 130 2H1 NCZ 130 2.065 11.191 -1.170 746 2H NCZ 130 2H NCZ 130 0.352 8.055 -4.011 747 8H NCZ 130 8H NCZ 130 -0.632 5.028 -3.570 748 7H NCZ 130 7H NCZ 130 -1.349 3.997 -1.440 749 3H NCZ 130 3H NCZ 130 -0.517 4.899 3.099 750 1H17 NCZ 130 1H17 NCZ 130 1.717 8.420 4.761 751 2H17 NCZ 130 2H17 NCZ 130 2.337 8.526 3.096 752 3H17 NCZ 130 3H17 NCZ 130 0.669 9.027 3.457 753 1H18 NCZ 130 1H18 NCZ 130 -1.385 3.044 0.118 754 2H18 NCZ 130 2H18 NCZ 130 -1.249 3.034 1.891 755 3H18 NCZ 130 3H18 NCZ 130 -2.559 3.946 1.105 756 1H NCZ 130 1H NCZ 130 1.578 7.971 1.059 Start of MODEL 27 1 H ALA 1 H ALA 1 -9.423 -6.637 15.173 2 HA ALA 1 HA ALA 1 -8.306 -4.502 14.771 3 1HB ALA 1 1HB ALA 1 -6.141 -6.542 14.457 4 2HB ALA 1 2HB ALA 1 -6.315 -5.235 15.653 5 3HB ALA 1 3HB ALA 1 -7.250 -6.739 15.836 6 H ALA 2 H ALA 2 -6.623 -3.377 13.456 7 HA ALA 2 HA ALA 2 -5.811 -2.659 11.526 8 1HB ALA 2 1HB ALA 2 -4.715 -4.187 10.192 9 2HB ALA 2 2HB ALA 2 -5.011 -5.210 11.617 10 3HB ALA 2 3HB ALA 2 -6.077 -5.334 10.196 11 HA PRO 3 HA PRO 3 -10.007 -2.489 9.837 12 1HB PRO 3 1HB PRO 3 -10.447 0.175 10.259 13 2HB PRO 3 2HB PRO 3 -10.969 -1.079 11.383 14 1HG PRO 3 1HG PRO 3 -8.690 0.787 11.548 15 2HG PRO 3 2HG PRO 3 -9.488 -0.130 12.876 16 1HD PRO 3 1HD PRO 3 -6.971 -0.655 11.611 17 2HD PRO 3 2HD PRO 3 -7.788 -1.677 12.801 18 H THR 4 H THR 4 -10.945 -0.671 8.199 19 HA THR 4 HA THR 4 -10.703 0.132 6.141 20 HB THR 4 HB THR 4 -9.067 1.804 5.937 21 HG1 THR 4 1HG THR 4 -7.086 0.802 5.834 22 1HG2 THR 4 1HG2 THR 4 -8.327 1.200 8.810 23 2HG2 THR 4 2HG2 THR 4 -8.676 2.770 8.046 24 3HG2 THR 4 3HG2 THR 4 -10.009 1.661 8.450 25 H ALA 5 H ALA 5 -8.357 0.202 4.419 26 HA ALA 5 HA ALA 5 -8.608 -2.397 3.357 27 1HB ALA 5 1HB ALA 5 -8.170 -0.860 1.707 28 2HB ALA 5 2HB ALA 5 -7.118 0.124 2.752 29 3HB ALA 5 3HB ALA 5 -6.498 -1.376 2.027 30 H THR 6 H THR 6 -7.628 -4.238 4.017 31 HA THR 6 HA THR 6 -4.893 -4.052 5.016 32 HB THR 6 HB THR 6 -5.815 -5.745 6.866 33 HG1 THR 6 1HG THR 6 -8.053 -5.364 7.211 34 1HG2 THR 6 1HG2 THR 6 -5.734 -4.002 8.393 35 2HG2 THR 6 2HG2 THR 6 -5.108 -3.093 6.996 36 3HG2 THR 6 3HG2 THR 6 -6.832 -2.984 7.431 37 H VAL 7 H VAL 7 -3.635 -5.891 4.663 38 HA VAL 7 HA VAL 7 -4.706 -7.586 2.593 39 HB VAL 7 HB VAL 7 -1.991 -7.903 3.805 40 1HG1 VAL 7 1HG1 VAL 7 -3.191 -9.108 1.704 41 2HG1 VAL 7 2HG1 VAL 7 -2.448 -7.720 0.873 42 3HG1 VAL 7 3HG1 VAL 7 -1.435 -8.842 1.812 43 1HG2 VAL 7 1HG2 VAL 7 -1.458 -6.026 1.935 44 2HG2 VAL 7 2HG2 VAL 7 -3.038 -5.442 2.508 45 3HG2 VAL 7 3HG2 VAL 7 -1.698 -5.654 3.660 46 H THR 8 H THR 8 -5.187 -9.773 2.759 47 HA THR 8 HA THR 8 -6.238 -10.831 4.966 48 HB THR 8 HB THR 8 -5.028 -11.829 2.456 49 HG1 THR 8 1HG THR 8 -7.226 -12.520 4.277 50 1HG2 THR 8 1HG2 THR 8 -5.051 -13.532 4.976 51 2HG2 THR 8 2HG2 THR 8 -5.431 -14.264 3.399 52 3HG2 THR 8 3HG2 THR 8 -3.845 -13.504 3.668 53 HA PRO 9 HA PRO 9 -2.109 -12.383 6.583 54 1HB PRO 9 1HB PRO 9 0.224 -11.628 5.385 55 2HB PRO 9 2HB PRO 9 -0.588 -13.152 5.034 56 1HG PRO 9 1HG PRO 9 -0.477 -10.658 3.463 57 2HG PRO 9 2HG PRO 9 -0.882 -12.320 2.903 58 1HD PRO 9 1HD PRO 9 -2.652 -10.118 3.374 59 2HD PRO 9 2HD PRO 9 -3.116 -11.780 2.979 60 H SER 10 H SER 10 0.387 -11.131 7.129 61 HA SER 10 HA SER 10 -0.447 -8.465 7.853 62 1HB SER 10 1HB SER 10 0.350 -8.822 10.218 63 2HB SER 10 2HB SER 10 -1.139 -9.695 9.818 64 HG SER 10 HG SER 10 0.497 -10.963 11.008 65 H SER 11 H SER 11 2.175 -10.851 8.712 66 HA SER 11 HA SER 11 4.035 -9.006 7.444 67 1HB SER 11 1HB SER 11 3.932 -9.889 10.235 68 2HB SER 11 2HB SER 11 5.501 -10.245 9.490 69 HG SER 11 HG SER 11 5.647 -8.162 10.325 70 H GLY 12 H GLY 12 6.373 -10.363 7.468 71 1HA GLY 12 1HA GLY 12 7.503 -12.038 6.492 72 2HA GLY 12 2HA GLY 12 6.348 -13.130 7.233 73 H LEU 13 H LEU 13 6.105 -10.596 4.627 74 HA LEU 13 HA LEU 13 4.520 -12.469 3.078 75 1HB LEU 13 1HB LEU 13 5.145 -9.538 2.802 76 2HB LEU 13 2HB LEU 13 4.226 -10.457 1.595 77 HG LEU 13 HG LEU 13 3.467 -9.776 4.438 78 1HD1 LEU 13 1HD1 LEU 13 2.180 -9.220 1.753 79 2HD1 LEU 13 2HD1 LEU 13 1.462 -8.824 3.333 80 3HD1 LEU 13 3HD1 LEU 13 2.982 -8.050 2.827 81 1HD2 LEU 13 1HD2 LEU 13 2.271 -11.876 2.626 82 2HD2 LEU 13 2HD2 LEU 13 2.834 -12.040 4.308 83 3HD2 LEU 13 3HD2 LEU 13 1.359 -11.111 3.950 84 H SER 14 H SER 14 5.055 -12.028 0.497 85 HA SER 14 HA SER 14 7.929 -12.475 0.283 86 1HB SER 14 1HB SER 14 6.307 -14.529 0.065 87 2HB SER 14 2HB SER 14 5.962 -13.872 -1.544 88 HG SER 14 HG SER 14 8.264 -13.990 -1.993 89 H ASP 15 H ASP 15 8.904 -11.738 -1.736 90 HA ASP 15 HA ASP 15 7.926 -9.362 -2.638 91 1HB ASP 15 1HB ASP 15 10.246 -10.000 -2.944 92 2HB ASP 15 2HB ASP 15 9.793 -11.380 -3.958 93 HD2 ASP 15 HD2 ASP 15 8.853 -8.364 -6.146 94 H GLY 16 H GLY 16 5.598 -9.843 -3.118 95 1HA GLY 16 1HA GLY 16 4.367 -9.724 -5.220 96 2HA GLY 16 2HA GLY 16 5.250 -11.142 -5.755 97 H THR 17 H THR 17 3.859 -10.495 -2.479 98 HA THR 17 HA THR 17 2.558 -13.068 -2.551 99 HB THR 17 HB THR 17 2.773 -10.826 -0.477 100 HG1 THR 17 1HG THR 17 4.606 -12.345 -1.350 101 1HG2 THR 17 1HG2 THR 17 2.321 -13.268 0.818 102 2HG2 THR 17 2HG2 THR 17 1.119 -11.969 0.636 103 3HG2 THR 17 3HG2 THR 17 1.163 -13.310 -0.533 104 H VAL 18 H VAL 18 0.746 -13.314 -3.715 105 HA VAL 18 HA VAL 18 -1.031 -11.078 -4.055 106 HB VAL 18 HB VAL 18 -1.506 -13.924 -4.910 107 1HG1 VAL 18 1HG1 VAL 18 -2.606 -12.778 -6.841 108 2HG1 VAL 18 2HG1 VAL 18 -3.364 -12.423 -5.269 109 3HG1 VAL 18 3HG1 VAL 18 -2.301 -11.219 -6.037 110 1HG2 VAL 18 1HG2 VAL 18 0.453 -11.929 -6.038 111 2HG2 VAL 18 2HG2 VAL 18 0.663 -13.668 -5.724 112 3HG2 VAL 18 3HG2 VAL 18 -0.340 -13.126 -7.091 113 H VAL 19 H VAL 19 -2.717 -10.580 -2.751 114 HA VAL 19 HA VAL 19 -4.092 -12.707 -1.368 115 HB VAL 19 HB VAL 19 -3.781 -10.982 0.713 116 1HG1 VAL 19 1HG1 VAL 19 -2.652 -13.606 -0.073 117 2HG1 VAL 19 2HG1 VAL 19 -1.818 -12.779 1.264 118 3HG1 VAL 19 3HG1 VAL 19 -3.559 -13.134 1.384 119 1HG2 VAL 19 1HG2 VAL 19 -1.313 -10.600 0.928 120 2HG2 VAL 19 2HG2 VAL 19 -1.144 -11.056 -0.784 121 3HG2 VAL 19 3HG2 VAL 19 -2.097 -9.620 -0.335 122 H LYS 20 H LYS 20 -5.882 -11.455 0.124 123 HA LYS 20 HA LYS 20 -7.093 -9.575 -1.759 124 1HB LYS 20 1HB LYS 20 -9.190 -10.216 -0.877 125 2HB LYS 20 2HB LYS 20 -8.275 -11.712 -1.140 126 1HG LYS 20 1HG LYS 20 -8.764 -12.222 1.007 127 2HG LYS 20 2HG LYS 20 -7.603 -10.969 1.478 128 1HD LYS 20 1HD LYS 20 -9.266 -9.721 2.340 129 2HD LYS 20 2HD LYS 20 -10.120 -9.716 0.786 130 1HE LYS 20 1HE LYS 20 -10.455 -12.312 1.950 131 2HE LYS 20 2HE LYS 20 -10.786 -11.129 3.224 132 1HZ LYS 20 1HZ LYS 20 -12.767 -11.455 2.075 133 2HZ LYS 20 2HZ LYS 20 -12.219 -10.021 1.519 134 3HZ LYS 20 3HZ LYS 20 -12.069 -11.363 0.602 135 H VAL 21 H VAL 21 -7.651 -7.487 -1.171 136 HA VAL 21 HA VAL 21 -6.798 -6.713 1.534 137 HB VAL 21 HB VAL 21 -6.788 -5.027 -0.974 138 1HG1 VAL 21 1HG1 VAL 21 -6.925 -4.049 1.469 139 2HG1 VAL 21 2HG1 VAL 21 -5.190 -4.446 1.498 140 3HG1 VAL 21 3HG1 VAL 21 -5.826 -3.333 0.265 141 1HG2 VAL 21 1HG2 VAL 21 -4.812 -6.960 0.082 142 2HG2 VAL 21 2HG2 VAL 21 -5.032 -6.322 -1.564 143 3HG2 VAL 21 3HG2 VAL 21 -4.158 -5.361 -0.348 144 H ALA 22 H ALA 22 -8.699 -6.725 2.686 145 HA ALA 22 HA ALA 22 -11.072 -5.623 1.419 146 1HB ALA 22 1HB ALA 22 -11.511 -7.628 2.580 147 2HB ALA 22 2HB ALA 22 -10.477 -7.168 3.954 148 3HB ALA 22 3HB ALA 22 -12.045 -6.364 3.710 149 H GLY 23 H GLY 23 -11.826 -3.582 1.784 150 1HA GLY 23 1HA GLY 23 -10.442 -2.022 3.884 151 2HA GLY 23 2HA GLY 23 -10.991 -1.375 2.351 152 H ALA 24 H ALA 24 -11.895 -2.287 5.621 153 HA ALA 24 HA ALA 24 -14.715 -1.796 5.069 154 1HB ALA 24 1HB ALA 24 -15.047 -3.235 6.764 155 2HB ALA 24 2HB ALA 24 -13.290 -3.517 6.786 156 3HB ALA 24 3HB ALA 24 -14.008 -2.284 7.850 157 H GLY 25 H GLY 25 -15.454 0.261 5.153 158 1HA GLY 25 1HA GLY 25 -15.890 2.268 6.166 159 2HA GLY 25 2HA GLY 25 -14.621 1.977 7.339 160 H LEU 26 H LEU 26 -13.734 1.365 4.012 161 HA LEU 26 HA LEU 26 -11.937 3.623 4.112 162 1HB LEU 26 1HB LEU 26 -11.768 1.062 3.173 163 2HB LEU 26 2HB LEU 26 -11.997 1.995 1.683 164 HG LEU 26 HG LEU 26 -9.846 2.511 3.755 165 1HD1 LEU 26 1HD1 LEU 26 -9.421 0.373 2.742 166 2HD1 LEU 26 2HD1 LEU 26 -9.710 1.033 1.114 167 3HD1 LEU 26 3HD1 LEU 26 -8.295 1.565 2.054 168 1HD2 LEU 26 1HD2 LEU 26 -10.062 3.607 0.943 169 2HD2 LEU 26 2HD2 LEU 26 -10.611 4.478 2.395 170 3HD2 LEU 26 3HD2 LEU 26 -8.892 4.052 2.208 171 H GLN 27 H GLN 27 -12.011 3.712 1.044 172 HA GLN 27 HA GLN 27 -13.377 6.000 0.749 173 1HB GLN 27 1HB GLN 27 -12.793 3.782 -1.232 174 2HB GLN 27 2HB GLN 27 -13.516 5.319 -1.743 175 1HG GLN 27 1HG GLN 27 -10.794 4.817 -0.497 176 2HG GLN 27 2HG GLN 27 -11.156 5.589 -2.049 177 1HE2 GLN 27 1HE2 GLN 27 -10.353 6.046 1.145 178 2HE2 GLN 27 2HE2 GLN 27 -10.757 7.718 1.344 179 H ALA 28 H ALA 28 -15.416 6.048 1.805 180 HA ALA 28 HA ALA 28 -17.394 4.119 1.483 181 1HB ALA 28 1HB ALA 28 -18.025 5.443 3.203 182 2HB ALA 28 2HB ALA 28 -17.094 6.830 2.585 183 3HB ALA 28 3HB ALA 28 -18.729 6.504 1.959 184 H GLY 29 H GLY 29 -17.389 3.540 -0.786 185 1HA GLY 29 1HA GLY 29 -18.454 3.577 -2.781 186 2HA GLY 29 2HA GLY 29 -19.296 5.038 -2.302 187 H THR 30 H THR 30 -15.938 5.419 -1.763 188 HA THR 30 HA THR 30 -15.750 7.094 -4.142 189 HB THR 30 HB THR 30 -13.434 7.167 -2.396 190 HG1 THR 30 1HG THR 30 -14.534 7.289 -0.407 191 1HG2 THR 30 1HG2 THR 30 -14.484 9.116 -3.680 192 2HG2 THR 30 2HG2 THR 30 -15.825 9.075 -2.510 193 3HG2 THR 30 3HG2 THR 30 -14.177 9.460 -1.959 194 H ALA 31 H ALA 31 -13.202 7.167 -4.872 195 HA ALA 31 HA ALA 31 -12.343 4.404 -5.263 196 1HB ALA 31 1HB ALA 31 -13.884 5.480 -7.162 197 2HB ALA 31 2HB ALA 31 -12.345 6.239 -7.639 198 3HB ALA 31 3HB ALA 31 -12.480 4.465 -7.568 199 H TYR 32 H TYR 32 -10.297 4.363 -4.484 200 HA TYR 32 HA TYR 32 -8.661 6.766 -4.944 201 1HB TYR 32 1HB TYR 32 -9.092 4.746 -2.724 202 2HB TYR 32 2HB TYR 32 -7.452 5.375 -2.905 203 HD1 TYR 32 1HD TYR 32 -10.165 7.618 -3.804 204 HD2 TYR 32 2HD TYR 32 -7.707 6.271 -0.573 205 HE1 TYR 32 1HE TYR 32 -10.814 9.667 -2.448 206 HE2 TYR 32 2HE TYR 32 -8.363 8.325 0.772 207 HH TYR 32 HH TYR 32 -10.572 10.750 -0.601 208 H ASP 33 H ASP 33 -6.156 5.790 -4.362 209 HA ASP 33 HA ASP 33 -5.853 3.828 -6.488 210 1HB ASP 33 1HB ASP 33 -3.585 5.463 -5.346 211 2HB ASP 33 2HB ASP 33 -3.749 4.792 -6.977 212 HD2 ASP 33 HD2 ASP 33 -5.213 7.664 -8.146 213 H VAL 34 H VAL 34 -5.574 1.772 -5.594 214 HA VAL 34 HA VAL 34 -4.632 1.454 -2.924 215 HB VAL 34 HB VAL 34 -5.857 -0.126 -5.033 216 1HG1 VAL 34 1HG1 VAL 34 -3.625 -1.216 -5.044 217 2HG1 VAL 34 2HG1 VAL 34 -3.801 -1.542 -3.304 218 3HG1 VAL 34 3HG1 VAL 34 -4.919 -2.292 -4.468 219 1HG2 VAL 34 1HG2 VAL 34 -5.733 -0.805 -2.094 220 2HG2 VAL 34 2HG2 VAL 34 -6.705 0.563 -2.689 221 3HG2 VAL 34 3HG2 VAL 34 -7.048 -1.086 -3.261 222 H GLY 35 H GLY 35 -2.608 0.846 -2.181 223 1HA GLY 35 1HA GLY 35 -0.577 -0.292 -3.704 224 2HA GLY 35 2HA GLY 35 -0.382 1.444 -3.822 225 H GLN 36 H GLN 36 1.510 -0.298 -2.535 226 HA GLN 36 HA GLN 36 1.016 0.148 0.282 227 1HB GLN 36 1HB GLN 36 3.522 -1.165 -0.699 228 2HB GLN 36 2HB GLN 36 2.520 -1.564 0.708 229 1HG GLN 36 1HG GLN 36 1.414 -3.126 -0.481 230 2HG GLN 36 2HG GLN 36 0.981 -1.946 -1.727 231 1HE2 GLN 36 1HE2 GLN 36 3.139 -1.233 -2.957 232 2HE2 GLN 36 2HE2 GLN 36 4.030 -2.550 -3.647 233 H CYS 37 H CYS 37 1.368 2.372 0.599 234 HA CYS 37 HA CYS 37 3.974 3.363 -0.279 235 1HB CYS 37 1HB CYS 37 1.767 4.495 -0.953 236 2HB CYS 37 2HB CYS 37 1.711 5.082 0.713 237 H ALA 38 H ALA 38 5.003 4.953 1.368 238 HA ALA 38 HA ALA 38 4.390 5.287 3.939 239 1HB ALA 38 1HB ALA 38 5.886 3.235 4.867 240 2HB ALA 38 2HB ALA 38 4.117 3.142 4.694 241 3HB ALA 38 3HB ALA 38 5.169 2.450 3.438 242 H TRP 39 H TRP 39 6.504 5.465 5.391 243 HA TRP 39 HA TRP 39 8.313 7.026 3.898 244 1HB TRP 39 1HB TRP 39 9.587 7.074 6.048 245 2HB TRP 39 2HB TRP 39 7.918 7.644 6.128 246 HD1 TRP 39 HD TRP 39 10.012 4.516 7.118 247 HE1 TRP 39 1HE TRP 39 8.886 3.240 9.134 248 HE3 TRP 39 3HE TRP 39 5.824 7.394 7.286 249 HZ2 TRP 39 2HZ TRP 39 6.425 3.566 10.540 250 HZ3 TRP 39 3HZ TRP 39 4.108 6.848 9.011 251 HH2 TRP 39 HH TRP 39 4.358 5.009 10.602 252 H VAL 40 H VAL 40 9.529 5.997 2.327 253 HA VAL 40 HA VAL 40 10.589 3.366 2.878 254 HB VAL 40 HB VAL 40 11.129 3.291 0.606 255 1HG1 VAL 40 1HG1 VAL 40 9.073 3.972 -0.552 256 2HG1 VAL 40 2HG1 VAL 40 8.711 3.238 1.028 257 3HG1 VAL 40 3HG1 VAL 40 8.630 5.005 0.828 258 1HG2 VAL 40 1HG2 VAL 40 11.180 5.256 -0.883 259 2HG2 VAL 40 2HG2 VAL 40 10.840 6.315 0.508 260 3HG2 VAL 40 3HG2 VAL 40 12.363 5.397 0.440 261 H ASP 41 H ASP 41 11.853 6.676 2.075 262 HA ASP 41 HA ASP 41 14.472 5.789 2.846 263 1HB ASP 41 1HB ASP 41 13.467 7.681 1.053 264 2HB ASP 41 2HB ASP 41 14.093 8.680 2.373 265 HD2 ASP 41 HD2 ASP 41 17.173 6.629 1.377 266 H THR 42 H THR 42 15.461 8.274 3.950 267 HA THR 42 HA THR 42 14.442 8.052 6.625 268 HB THR 42 HB THR 42 16.555 9.862 5.334 269 HG1 THR 42 1HG THR 42 16.924 7.520 5.218 270 1HG2 THR 42 1HG2 THR 42 15.550 10.344 7.782 271 2HG2 THR 42 2HG2 THR 42 16.553 8.938 8.217 272 3HG2 THR 42 3HG2 THR 42 17.309 10.383 7.501 273 H GLY 43 H GLY 43 12.332 8.754 6.758 274 1HA GLY 43 1HA GLY 43 10.751 10.318 7.137 275 2HA GLY 43 2HA GLY 43 11.971 11.565 6.965 276 H VAL 44 H VAL 44 11.878 9.344 4.294 277 HA VAL 44 HA VAL 44 10.489 11.389 2.717 278 HB VAL 44 HB VAL 44 12.274 9.168 1.726 279 1HG1 VAL 44 1HG1 VAL 44 11.037 10.015 -0.077 280 2HG1 VAL 44 2HG1 VAL 44 11.123 11.689 0.525 281 3HG1 VAL 44 3HG1 VAL 44 12.573 10.912 -0.156 282 1HG2 VAL 44 1HG2 VAL 44 13.525 10.555 3.344 283 2HG2 VAL 44 2HG2 VAL 44 14.121 10.765 1.680 284 3HG2 VAL 44 3HG2 VAL 44 13.089 12.012 2.420 285 H LEU 45 H LEU 45 8.351 10.932 2.525 286 HA LEU 45 HA LEU 45 7.451 8.213 2.662 287 1HB LEU 45 1HB LEU 45 6.396 10.786 3.112 288 2HB LEU 45 2HB LEU 45 5.426 10.055 1.820 289 HG LEU 45 HG LEU 45 6.000 8.525 4.343 290 1HD1 LEU 45 1HD1 LEU 45 5.206 10.555 5.265 291 2HD1 LEU 45 2HD1 LEU 45 3.953 10.724 4.010 292 3HD1 LEU 45 3HD1 LEU 45 3.819 9.438 5.235 293 1HD2 LEU 45 1HD2 LEU 45 3.547 7.805 3.714 294 2HD2 LEU 45 2HD2 LEU 45 4.013 8.413 2.107 295 3HD2 LEU 45 3HD2 LEU 45 4.954 7.109 2.872 296 H ALA 46 H ALA 46 7.715 6.865 0.965 297 HA ALA 46 HA ALA 46 7.119 7.983 -1.688 298 1HB ALA 46 1HB ALA 46 8.912 6.597 -2.609 299 2HB ALA 46 2HB ALA 46 9.569 7.662 -1.343 300 3HB ALA 46 3HB ALA 46 9.271 5.943 -0.993 301 H CYS 47 H CYS 47 6.547 6.146 -3.280 302 HA CYS 47 HA CYS 47 5.140 4.034 -1.819 303 1HB CYS 47 1HB CYS 47 4.013 5.169 -4.344 304 2HB CYS 47 2HB CYS 47 3.202 4.281 -3.050 305 H ASN 48 H ASN 48 5.143 1.969 -2.896 306 HA ASN 48 HA ASN 48 7.387 1.519 -4.467 307 1HB ASN 48 1HB ASN 48 4.985 -0.339 -4.395 308 2HB ASN 48 2HB ASN 48 6.698 -0.777 -4.457 309 1HD2 ASN 48 1HD2 ASN 48 7.424 1.269 -2.487 310 2HD2 ASN 48 2HD2 ASN 48 6.945 0.675 -0.931 311 HA PRO 49 HA PRO 49 5.708 1.826 -8.513 312 1HB PRO 49 1HB PRO 49 6.695 -0.328 -9.873 313 2HB PRO 49 2HB PRO 49 7.646 1.119 -9.537 314 1HG PRO 49 1HG PRO 49 7.713 -1.535 -8.250 315 2HG PRO 49 2HG PRO 49 8.975 -0.251 -8.242 316 1HD PRO 49 1HD PRO 49 7.176 -0.991 -6.142 317 2HD PRO 49 2HD PRO 49 8.289 0.382 -6.141 318 H ALA 50 H ALA 50 4.811 -0.806 -6.630 319 HA ALA 50 HA ALA 50 2.680 -1.455 -8.542 320 1HB ALA 50 1HB ALA 50 4.444 -3.134 -7.348 321 2HB ALA 50 2HB ALA 50 3.154 -3.130 -6.122 322 3HB ALA 50 3HB ALA 50 2.789 -3.614 -7.796 323 H ASP 51 H ASP 51 3.068 0.874 -6.468 324 HA ASP 51 HA ASP 51 0.941 0.278 -4.644 325 1HB ASP 51 1HB ASP 51 2.527 1.609 -3.598 326 2HB ASP 51 2HB ASP 51 2.913 2.507 -5.071 327 HD2 ASP 51 HD2 ASP 51 0.166 3.894 -2.604 328 H PHE 52 H PHE 52 0.981 0.904 -7.852 329 HA PHE 52 HA PHE 52 -1.166 2.896 -7.763 330 1HB PHE 52 1HB PHE 52 0.179 1.893 -10.283 331 2HB PHE 52 2HB PHE 52 -0.373 3.531 -9.918 332 HD1 PHE 52 1HD PHE 52 2.414 1.981 -10.807 333 HD2 PHE 52 2HD PHE 52 1.012 4.216 -7.484 334 HE1 PHE 52 1HE PHE 52 4.771 2.637 -10.254 335 HE2 PHE 52 2HE PHE 52 3.370 4.870 -6.930 336 HZ PHE 52 HZ PHE 52 5.222 4.073 -8.321 337 H SER 53 H SER 53 -2.982 1.598 -7.337 338 HA SER 53 HA SER 53 -3.738 -0.046 -9.573 339 1HB SER 53 1HB SER 53 -2.601 -1.336 -7.473 340 2HB SER 53 2HB SER 53 -4.284 -1.305 -6.918 341 HG SER 53 HG SER 53 -3.657 -3.212 -8.221 342 H SER 54 H SER 54 -5.258 1.715 -9.924 343 HA SER 54 HA SER 54 -6.818 2.959 -8.197 344 1HB SER 54 1HB SER 54 -8.541 3.102 -9.991 345 2HB SER 54 2HB SER 54 -6.901 3.384 -10.603 346 HG SER 54 HG SER 54 -8.374 0.893 -10.756 347 H VAL 55 H VAL 55 -8.360 2.438 -6.677 348 HA VAL 55 HA VAL 55 -9.871 -0.028 -7.074 349 HB VAL 55 HB VAL 55 -7.958 0.602 -4.885 350 1HG1 VAL 55 1HG1 VAL 55 -10.586 -0.850 -4.428 351 2HG1 VAL 55 2HG1 VAL 55 -9.198 -0.880 -3.311 352 3HG1 VAL 55 3HG1 VAL 55 -10.039 0.654 -3.645 353 1HG2 VAL 55 1HG2 VAL 55 -8.093 -2.055 -4.937 354 2HG2 VAL 55 2HG2 VAL 55 -8.769 -1.744 -6.554 355 3HG2 VAL 55 3HG2 VAL 55 -7.148 -1.141 -6.134 356 H THR 56 H THR 56 -11.888 -0.067 -5.801 357 HA THR 56 HA THR 56 -12.652 2.531 -4.697 358 HB THR 56 HB THR 56 -13.337 1.652 -7.327 359 HG1 THR 56 1HG THR 56 -14.721 3.639 -6.982 360 1HG2 THR 56 1HG2 THR 56 -15.152 0.238 -6.423 361 2HG2 THR 56 2HG2 THR 56 -15.669 1.554 -5.340 362 3HG2 THR 56 3HG2 THR 56 -15.859 1.725 -7.103 363 H ALA 57 H ALA 57 -14.201 2.452 -3.072 364 HA ALA 57 HA ALA 57 -14.759 -0.281 -2.158 365 1HB ALA 57 1HB ALA 57 -15.272 1.691 -0.145 366 2HB ALA 57 2HB ALA 57 -13.994 0.451 -0.180 367 3HB ALA 57 3HB ALA 57 -13.694 2.059 -0.885 368 H ASP 58 H ASP 58 -16.884 -0.887 -1.617 369 HA ASP 58 HA ASP 58 -18.871 0.244 -3.118 370 1HB ASP 58 1HB ASP 58 -19.508 -1.128 -0.506 371 2HB ASP 58 2HB ASP 58 -20.315 -1.306 -2.071 372 HD2 ASP 58 HD2 ASP 58 -17.086 -3.227 -2.704 373 H ALA 59 H ALA 59 -20.928 1.346 -2.281 374 HA ALA 59 HA ALA 59 -20.520 3.715 -1.105 375 1HB ALA 59 1HB ALA 59 -22.777 1.960 -1.656 376 2HB ALA 59 2HB ALA 59 -23.057 2.914 -0.179 377 3HB ALA 59 3HB ALA 59 -22.684 3.736 -1.714 378 H ASN 60 H ASN 60 -20.699 0.547 0.488 379 HA ASN 60 HA ASN 60 -20.872 1.773 3.072 380 1HB ASN 60 1HB ASN 60 -21.707 -0.641 2.113 381 2HB ASN 60 2HB ASN 60 -20.146 -1.131 2.789 382 1HD2 ASN 60 1HD2 ASN 60 -23.232 -1.198 3.444 383 2HD2 ASN 60 2HD2 ASN 60 -23.284 -0.921 5.153 384 H GLY 61 H GLY 61 -18.561 2.504 1.414 385 1HA GLY 61 1HA GLY 61 -16.297 2.488 1.354 386 2HA GLY 61 2HA GLY 61 -16.463 2.482 3.099 387 H SER 62 H SER 62 -17.322 -0.125 0.736 388 HA SER 62 HA SER 62 -15.486 -1.825 2.222 389 1HB SER 62 1HB SER 62 -17.700 -2.737 0.357 390 2HB SER 62 2HB SER 62 -16.853 -3.699 1.581 391 HG SER 62 HG SER 62 -18.967 -3.047 2.303 392 H ALA 63 H ALA 63 -13.510 -1.601 1.143 393 HA ALA 63 HA ALA 63 -13.582 -1.931 -1.773 394 1HB ALA 63 1HB ALA 63 -12.337 -0.042 -1.602 395 2HB ALA 63 2HB ALA 63 -11.997 -0.310 0.123 396 3HB ALA 63 3HB ALA 63 -11.024 -1.139 -1.114 397 H SER 64 H SER 64 -13.795 -4.229 -1.792 398 HA SER 64 HA SER 64 -11.689 -5.662 -0.417 399 1HB SER 64 1HB SER 64 -13.085 -7.674 -1.344 400 2HB SER 64 2HB SER 64 -13.732 -6.731 0.010 401 HG SER 64 HG SER 64 -14.486 -6.680 -2.771 402 H THR 65 H THR 65 -10.041 -4.761 -1.968 403 HA THR 65 HA THR 65 -10.189 -6.077 -4.599 404 HB THR 65 HB THR 65 -8.523 -3.662 -3.723 405 HG1 THR 65 1HG THR 65 -10.698 -3.009 -3.662 406 1HG2 THR 65 1HG2 THR 65 -9.353 -3.655 -6.476 407 2HG2 THR 65 2HG2 THR 65 -7.693 -3.774 -5.846 408 3HG2 THR 65 3HG2 THR 65 -8.639 -5.252 -6.147 409 H SER 66 H SER 66 -8.556 -7.402 -5.316 410 HA SER 66 HA SER 66 -6.730 -8.187 -3.201 411 1HB SER 66 1HB SER 66 -6.506 -10.289 -4.358 412 2HB SER 66 2HB SER 66 -8.235 -9.906 -4.283 413 HG SER 66 HG SER 66 -8.301 -9.635 -6.440 414 H LEU 67 H LEU 67 -4.468 -8.110 -3.480 415 HA LEU 67 HA LEU 67 -3.420 -7.470 -6.095 416 1HB LEU 67 1HB LEU 67 -4.055 -5.414 -4.306 417 2HB LEU 67 2HB LEU 67 -2.294 -5.601 -4.215 418 HG LEU 67 HG LEU 67 -3.933 -5.087 -6.711 419 1HD1 LEU 67 1HD1 LEU 67 -3.865 -2.970 -6.015 420 2HD1 LEU 67 2HD1 LEU 67 -2.672 -3.330 -4.743 421 3HD1 LEU 67 3HD1 LEU 67 -2.131 -3.016 -6.408 422 1HD2 LEU 67 1HD2 LEU 67 -1.783 -4.852 -7.869 423 2HD2 LEU 67 2HD2 LEU 67 -0.930 -5.353 -6.388 424 3HD2 LEU 67 3HD2 LEU 67 -2.013 -6.494 -7.223 425 H THR 68 H THR 68 -0.864 -7.196 -5.796 426 HA THR 68 HA THR 68 -0.088 -9.387 -3.990 427 HB THR 68 HB THR 68 0.164 -9.672 -6.514 428 HG1 THR 68 1HG THR 68 1.564 -10.665 -4.815 429 1HG2 THR 68 1HG2 THR 68 1.274 -7.064 -6.371 430 2HG2 THR 68 2HG2 THR 68 2.671 -8.146 -6.580 431 3HG2 THR 68 3HG2 THR 68 1.345 -8.165 -7.767 432 H VAL 69 H VAL 69 1.408 -9.107 -2.415 433 HA VAL 69 HA VAL 69 2.202 -6.359 -1.943 434 HB VAL 69 HB VAL 69 2.258 -8.915 -0.349 435 1HG1 VAL 69 1HG1 VAL 69 2.976 -6.757 1.336 436 2HG1 VAL 69 2HG1 VAL 69 3.961 -8.169 0.883 437 3HG1 VAL 69 3HG1 VAL 69 4.051 -6.676 -0.080 438 1HG2 VAL 69 1HG2 VAL 69 1.003 -6.328 0.518 439 2HG2 VAL 69 2HG2 VAL 69 0.184 -7.334 -0.701 440 3HG2 VAL 69 3HG2 VAL 69 0.547 -8.005 0.906 441 H ARG 70 H ARG 70 3.803 -5.901 -3.485 442 HA ARG 70 HA ARG 70 5.963 -7.765 -3.725 443 1HB ARG 70 1HB ARG 70 5.571 -5.010 -4.984 444 2HB ARG 70 2HB ARG 70 6.796 -6.196 -5.470 445 1HG ARG 70 1HG ARG 70 4.042 -7.267 -5.423 446 2HG ARG 70 2HG ARG 70 4.257 -5.939 -6.577 447 1HD ARG 70 1HD ARG 70 6.502 -7.392 -7.100 448 2HD ARG 70 2HD ARG 70 5.426 -8.696 -6.577 449 HE ARG 70 HE ARG 70 4.198 -6.861 -8.501 450 1HH1 ARG 70 1HH1 ARG 70 6.180 -9.745 -8.141 451 2HH1 ARG 70 2HH1 ARG 70 5.796 -10.361 -9.712 452 1HH2 ARG 70 1HH2 ARG 70 3.689 -7.674 -10.575 453 2HH2 ARG 70 2HH2 ARG 70 4.369 -9.176 -11.106 454 H ARG 71 H ARG 71 7.185 -7.718 -1.795 455 HA ARG 71 HA ARG 71 7.668 -5.385 -0.384 456 1HB ARG 71 1HB ARG 71 7.880 -7.546 0.694 457 2HB ARG 71 2HB ARG 71 9.126 -8.069 -0.455 458 1HG ARG 71 1HG ARG 71 10.093 -5.659 0.645 459 2HG ARG 71 2HG ARG 71 9.397 -6.533 2.022 460 1HD ARG 71 1HD ARG 71 11.543 -7.492 0.085 461 2HD ARG 71 2HD ARG 71 11.720 -7.208 1.823 462 HE ARG 71 HE ARG 71 9.661 -9.178 1.210 463 1HH1 ARG 71 1HH1 ARG 71 13.125 -8.727 1.633 464 2HH1 ARG 71 2HH1 ARG 71 13.418 -10.384 2.052 465 1HH2 ARG 71 1HH2 ARG 71 10.048 -11.362 1.762 466 2HH2 ARG 71 2HH2 ARG 71 11.656 -11.892 2.128 467 H SER 72 H SER 72 9.408 -7.071 -3.025 468 HA SER 72 HA SER 72 11.511 -5.080 -2.848 469 1HB SER 72 1HB SER 72 11.505 -7.850 -3.390 470 2HB SER 72 2HB SER 72 11.895 -7.077 -4.938 471 HG SER 72 HG SER 72 13.876 -7.058 -4.090 472 H PHE 73 H PHE 73 11.495 -3.355 -4.249 473 HA PHE 73 HA PHE 73 11.043 -3.434 -6.917 474 1HB PHE 73 1HB PHE 73 8.629 -3.810 -5.396 475 2HB PHE 73 2HB PHE 73 8.546 -2.164 -6.032 476 HD1 PHE 73 1HD PHE 73 6.794 -4.627 -6.699 477 HD2 PHE 73 2HD PHE 73 10.159 -2.874 -8.598 478 HE1 PHE 73 1HE PHE 73 6.022 -5.535 -8.909 479 HE2 PHE 73 2HE PHE 73 9.388 -3.781 -10.806 480 HZ PHE 73 HZ PHE 73 7.326 -5.101 -10.936 481 H GLU 74 H GLU 74 11.610 -1.449 -7.787 482 HA GLU 74 HA GLU 74 12.066 0.619 -5.833 483 1HB GLU 74 1HB GLU 74 13.837 -0.130 -7.462 484 2HB GLU 74 2HB GLU 74 12.864 0.557 -8.774 485 1HG GLU 74 1HG GLU 74 12.923 2.763 -7.471 486 2HG GLU 74 2HG GLU 74 14.145 2.023 -6.428 487 HE2 GLU 74 HE2 GLU 74 15.216 2.421 -10.256 488 H GLY 75 H GLY 75 10.382 1.999 -5.444 489 1HA GLY 75 1HA GLY 75 8.527 2.601 -7.638 490 2HA GLY 75 2HA GLY 75 8.269 2.876 -5.925 491 H PHE 76 H PHE 76 7.777 5.096 -6.044 492 HA PHE 76 HA PHE 76 10.084 6.768 -6.701 493 1HB PHE 76 1HB PHE 76 7.256 6.726 -7.755 494 2HB PHE 76 2HB PHE 76 7.934 8.325 -7.436 495 HD1 PHE 76 1HD PHE 76 8.579 5.166 -9.287 496 HD2 PHE 76 2HD PHE 76 9.318 9.337 -9.021 497 HE1 PHE 76 1HE PHE 76 9.732 5.104 -11.517 498 HE2 PHE 76 2HE PHE 76 10.471 9.276 -11.249 499 HZ PHE 76 HZ PHE 76 10.664 7.160 -12.470 500 H LEU 77 H LEU 77 10.309 8.646 -5.411 501 HA LEU 77 HA LEU 77 8.686 8.564 -2.997 502 1HB LEU 77 1HB LEU 77 11.043 10.346 -3.428 503 2HB LEU 77 2HB LEU 77 10.418 9.649 -1.924 504 HG LEU 77 HG LEU 77 11.210 7.478 -3.548 505 1HD1 LEU 77 1HD1 LEU 77 13.698 8.122 -3.749 506 2HD1 LEU 77 2HD1 LEU 77 12.565 8.706 -4.992 507 3HD1 LEU 77 3HD1 LEU 77 13.117 9.802 -3.702 508 1HD2 LEU 77 1HD2 LEU 77 12.163 6.810 -1.638 509 2HD2 LEU 77 2HD2 LEU 77 13.102 8.311 -1.461 510 3HD2 LEU 77 3HD2 LEU 77 11.405 8.257 -0.930 511 H PHE 78 H PHE 78 8.622 11.099 -2.074 512 HA PHE 78 HA PHE 78 6.686 12.276 -3.798 513 1HB PHE 78 1HB PHE 78 6.605 12.245 -1.284 514 2HB PHE 78 2HB PHE 78 8.107 13.172 -1.218 515 HD1 PHE 78 1HD PHE 78 8.097 15.545 -1.579 516 HD2 PHE 78 2HD PHE 78 4.518 13.304 -2.007 517 HE1 PHE 78 1HE PHE 78 6.766 17.673 -1.585 518 HE2 PHE 78 2HE PHE 78 3.188 15.432 -2.013 519 HZ PHE 78 HZ PHE 78 4.328 17.593 -1.802 520 H ASP 79 H ASP 79 10.144 12.631 -3.255 521 HA ASP 79 HA ASP 79 10.373 15.291 -4.022 522 1HB ASP 79 1HB ASP 79 12.277 14.414 -2.991 523 2HB ASP 79 2HB ASP 79 12.208 12.899 -3.902 524 HD2 ASP 79 HD2 ASP 79 14.485 14.066 -6.153 525 H GLY 80 H GLY 80 10.176 12.166 -5.763 526 1HA GLY 80 1HA GLY 80 9.186 12.306 -7.993 527 2HA GLY 80 2HA GLY 80 10.279 13.635 -8.333 528 H THR 81 H THR 81 11.731 11.244 -6.299 529 HA THR 81 HA THR 81 13.380 10.372 -8.534 530 HB THR 81 HB THR 81 13.555 10.467 -5.516 531 HG1 THR 81 1HG THR 81 15.119 11.865 -6.243 532 1HG2 THR 81 1HG2 THR 81 15.254 8.699 -7.356 533 2HG2 THR 81 2HG2 THR 81 15.678 9.123 -5.679 534 3HG2 THR 81 3HG2 THR 81 14.241 8.128 -6.010 535 H ARG 82 H ARG 82 13.943 8.090 -8.832 536 HA ARG 82 HA ARG 82 11.531 6.544 -8.526 537 1HB ARG 82 1HB ARG 82 12.890 4.916 -10.046 538 2HB ARG 82 2HB ARG 82 12.346 6.445 -10.761 539 1HG ARG 82 1HG ARG 82 14.511 7.400 -10.628 540 2HG ARG 82 2HG ARG 82 15.077 6.201 -9.451 541 1HD ARG 82 1HD ARG 82 16.077 5.448 -11.428 542 2HD ARG 82 2HD ARG 82 14.595 4.479 -11.405 543 HE ARG 82 HE ARG 82 14.396 7.066 -12.810 544 1HH1 ARG 82 1HH1 ARG 82 15.025 3.614 -13.095 545 2HH1 ARG 82 2HH1 ARG 82 14.677 3.561 -14.792 546 1HH2 ARG 82 1HH2 ARG 82 13.937 6.995 -15.047 547 2HH2 ARG 82 2HH2 ARG 82 14.054 5.498 -15.910 548 H TRP 83 H TRP 83 11.940 6.290 -6.129 549 HA TRP 83 HA TRP 83 14.042 4.303 -5.610 550 1HB TRP 83 1HB TRP 83 14.422 6.364 -4.425 551 2HB TRP 83 2HB TRP 83 12.783 6.344 -3.771 552 HD1 TRP 83 HD TRP 83 12.327 3.994 -2.121 553 HE1 TRP 83 1HE TRP 83 13.871 2.923 -0.270 554 HE3 TRP 83 3HE TRP 83 16.656 6.091 -3.771 555 HZ2 TRP 83 2HZ TRP 83 16.667 3.070 0.286 556 HZ3 TRP 83 3HZ TRP 83 18.748 5.576 -2.519 557 HH2 TRP 83 HH TRP 83 18.799 4.122 -0.553 558 H GLY 84 H GLY 84 11.157 5.266 -3.677 559 1HA GLY 84 1HA GLY 84 9.419 4.073 -2.902 560 2HA GLY 84 2HA GLY 84 9.392 3.274 -4.462 561 H THR 85 H THR 85 10.711 3.166 -1.134 562 HA THR 85 HA THR 85 11.657 1.528 0.051 563 HB THR 85 HB THR 85 9.749 -0.166 -1.649 564 HG1 THR 85 1HG THR 85 9.540 1.295 0.891 565 1HG2 THR 85 1HG2 THR 85 11.471 -1.258 0.079 566 2HG2 THR 85 2HG2 THR 85 10.370 -0.560 1.292 567 3HG2 THR 85 3HG2 THR 85 9.759 -1.741 0.109 568 H VAL 86 H VAL 86 11.224 -0.290 -3.049 569 HA VAL 86 HA VAL 86 12.797 -0.962 -4.509 570 HB VAL 86 HB VAL 86 14.999 -0.135 -2.634 571 1HG1 VAL 86 1HG1 VAL 86 15.559 -1.474 -4.642 572 2HG1 VAL 86 2HG1 VAL 86 14.827 -0.215 -5.666 573 3HG1 VAL 86 3HG1 VAL 86 16.269 0.158 -4.691 574 1HG2 VAL 86 1HG2 VAL 86 14.614 1.948 -4.496 575 2HG2 VAL 86 2HG2 VAL 86 13.010 1.608 -3.803 576 3HG2 VAL 86 3HG2 VAL 86 14.378 2.005 -2.734 577 H ASP 87 H ASP 87 13.434 -1.478 -0.993 578 HA ASP 87 HA ASP 87 13.252 -4.290 -1.479 579 1HB ASP 87 1HB ASP 87 15.752 -3.354 -1.649 580 2HB ASP 87 2HB ASP 87 15.653 -3.395 0.117 581 HD2 ASP 87 HD2 ASP 87 16.970 -6.556 -1.108 582 H CYS 88 H CYS 88 11.320 -3.888 -0.112 583 HA CYS 88 HA CYS 88 11.545 -2.650 2.401 584 1HB CYS 88 1HB CYS 88 9.497 -3.595 0.754 585 2HB CYS 88 2HB CYS 88 9.360 -4.543 2.238 586 H THR 89 H THR 89 13.691 -4.029 2.762 587 HA THR 89 HA THR 89 13.075 -6.691 3.790 588 HB THR 89 HB THR 89 15.024 -6.239 2.219 589 HG1 THR 89 1HG THR 89 16.149 -7.747 3.471 590 1HG2 THR 89 1HG2 THR 89 17.043 -5.396 3.859 591 2HG2 THR 89 2HG2 THR 89 16.177 -4.292 2.765 592 3HG2 THR 89 3HG2 THR 89 15.717 -4.386 4.481 593 H THR 90 H THR 90 13.058 -3.495 4.894 594 HA THR 90 HA THR 90 13.044 -4.450 7.628 595 HB THR 90 HB THR 90 15.123 -2.540 6.476 596 HG1 THR 90 1HG THR 90 16.418 -4.091 7.695 597 1HG2 THR 90 1HG2 THR 90 15.251 -2.912 9.371 598 2HG2 THR 90 2HG2 THR 90 15.278 -1.392 8.446 599 3HG2 THR 90 3HG2 THR 90 13.724 -2.115 8.925 600 H ALA 91 H ALA 91 12.809 -1.667 5.342 601 HA ALA 91 HA ALA 91 11.355 -0.016 7.041 602 1HB ALA 91 1HB ALA 91 11.252 -0.242 4.007 603 2HB ALA 91 2HB ALA 91 10.765 1.171 4.978 604 3HB ALA 91 3HB ALA 91 12.473 0.668 4.929 605 H ALA 92 H ALA 92 9.123 0.305 7.379 606 HA ALA 92 HA ALA 92 7.533 -2.063 6.829 607 1HB ALA 92 1HB ALA 92 6.962 0.410 8.514 608 2HB ALA 92 2HB ALA 92 5.999 -1.088 8.477 609 3HB ALA 92 3HB ALA 92 7.659 -1.111 9.120 610 H CYS 93 H CYS 93 6.388 -2.151 4.966 611 HA CYS 93 HA CYS 93 5.718 0.350 3.670 612 1HB CYS 93 1HB CYS 93 4.784 -1.998 2.292 613 2HB CYS 93 2HB CYS 93 5.930 -0.760 1.769 614 H GLN 94 H GLN 94 3.652 1.208 3.732 615 HA GLN 94 HA GLN 94 1.687 -0.379 5.149 616 1HB GLN 94 1HB GLN 94 1.849 2.582 4.483 617 2HB GLN 94 2HB GLN 94 0.450 1.844 5.283 618 1HG GLN 94 1HG GLN 94 1.602 1.492 7.256 619 2HG GLN 94 2HG GLN 94 3.164 1.292 6.449 620 1HE2 GLN 94 1HE2 GLN 94 3.785 2.693 8.282 621 2HE2 GLN 94 2HE2 GLN 94 3.710 4.412 8.086 622 H VAL 95 H VAL 95 0.182 -1.490 3.989 623 HA VAL 95 HA VAL 95 -0.201 -0.763 1.205 624 HB VAL 95 HB VAL 95 -1.529 -3.035 2.656 625 1HG1 VAL 95 1HG1 VAL 95 -2.160 -3.628 0.600 626 2HG1 VAL 95 2HG1 VAL 95 -1.413 -2.143 -0.035 627 3HG1 VAL 95 3HG1 VAL 95 -0.467 -3.649 0.052 628 1HG2 VAL 95 1HG2 VAL 95 0.594 -3.550 3.370 629 2HG2 VAL 95 2HG2 VAL 95 0.612 -4.319 1.765 630 3HG2 VAL 95 3HG2 VAL 95 1.377 -2.729 1.998 631 H GLY 96 H GLY 96 -1.683 0.768 0.716 632 1HA GLY 96 1HA GLY 96 -4.362 0.532 1.733 633 2HA GLY 96 2HA GLY 96 -3.506 1.922 2.367 634 H LEU 97 H LEU 97 -5.647 2.609 0.929 635 HA LEU 97 HA LEU 97 -4.664 3.134 -1.784 636 1HB LEU 97 1HB LEU 97 -7.359 3.849 -1.578 637 2HB LEU 97 2HB LEU 97 -6.651 2.474 -2.443 638 HG LEU 97 HG LEU 97 -7.617 2.464 0.429 639 1HD1 LEU 97 1HD1 LEU 97 -8.948 1.860 -2.154 640 2HD1 LEU 97 2HD1 LEU 97 -9.243 0.725 -0.813 641 3HD1 LEU 97 3HD1 LEU 97 -9.622 2.455 -0.618 642 1HD2 LEU 97 1HD2 LEU 97 -5.777 0.758 -0.848 643 2HD2 LEU 97 2HD2 LEU 97 -6.586 0.521 0.721 644 3HD2 LEU 97 3HD2 LEU 97 -7.311 -0.141 -0.763 645 H SER 98 H SER 98 -4.314 5.218 -2.475 646 HA SER 98 HA SER 98 -4.714 7.231 -0.414 647 1HB SER 98 1HB SER 98 -2.931 8.493 -1.494 648 2HB SER 98 2HB SER 98 -2.368 6.842 -1.184 649 HG SER 98 HG SER 98 -3.295 7.947 -3.696 650 H ASP 99 H ASP 99 -5.692 9.273 -0.972 651 HA ASP 99 HA ASP 99 -7.813 9.163 -2.623 652 1HB ASP 99 1HB ASP 99 -6.295 11.757 -2.326 653 2HB ASP 99 2HB ASP 99 -8.044 11.493 -2.263 654 HD2 ASP 99 HD2 ASP 99 -6.947 10.035 1.090 655 H ALA 100 H ALA 100 -8.192 10.537 -4.705 656 HA ALA 100 HA ALA 100 -6.220 9.812 -6.628 657 1HB ALA 100 1HB ALA 100 -8.585 9.708 -7.168 658 2HB ALA 100 2HB ALA 100 -8.794 11.431 -6.772 659 3HB ALA 100 3HB ALA 100 -7.827 10.954 -8.188 660 H ALA 101 H ALA 101 -6.347 12.282 -4.354 661 HA ALA 101 HA ALA 101 -5.183 14.285 -6.123 662 1HB ALA 101 1HB ALA 101 -5.971 15.786 -4.620 663 2HB ALA 101 2HB ALA 101 -6.932 14.428 -3.988 664 3HB ALA 101 3HB ALA 101 -5.376 14.848 -3.230 665 H GLY 102 H GLY 102 -4.327 11.734 -3.896 666 1HA GLY 102 1HA GLY 102 -2.173 10.900 -3.699 667 2HA GLY 102 2HA GLY 102 -1.508 12.437 -4.216 668 H ASN 103 H ASN 103 -3.912 11.612 -1.618 669 HA ASN 103 HA ASN 103 -1.957 12.427 0.336 670 1HB ASN 103 1HB ASN 103 -4.682 13.748 -0.044 671 2HB ASN 103 2HB ASN 103 -3.746 13.906 1.451 672 1HD2 ASN 103 1HD2 ASN 103 -3.783 14.484 -2.023 673 2HD2 ASN 103 2HD2 ASN 103 -2.650 15.793 -2.058 674 H GLY 104 H GLY 104 -2.795 11.863 2.617 675 1HA GLY 104 1HA GLY 104 -4.474 10.803 3.943 676 2HA GLY 104 2HA GLY 104 -4.969 9.867 2.548 677 HA PRO 105 HA PRO 105 -1.035 8.067 4.548 678 1HB PRO 105 1HB PRO 105 -1.031 8.190 7.275 679 2HB PRO 105 2HB PRO 105 -0.123 9.306 6.260 680 1HG PRO 105 1HG PRO 105 -2.654 9.704 7.721 681 2HG PRO 105 2HG PRO 105 -1.506 10.947 7.104 682 1HD PRO 105 1HD PRO 105 -4.046 10.179 6.026 683 2HD PRO 105 2HD PRO 105 -2.883 11.292 5.295 684 H GLU 106 H GLU 106 -3.254 6.916 3.646 685 HA GLU 106 HA GLU 106 -4.113 5.137 5.744 686 1HB GLU 106 1HB GLU 106 -5.297 6.234 3.416 687 2HB GLU 106 2HB GLU 106 -5.192 4.489 3.125 688 1HG GLU 106 1HG GLU 106 -7.302 4.944 4.216 689 2HG GLU 106 2HG GLU 106 -6.264 4.133 5.398 690 HE2 GLU 106 HE2 GLU 106 -7.023 8.022 5.914 691 H GLY 107 H GLY 107 -3.515 2.981 5.926 692 1HA GLY 107 1HA GLY 107 -2.811 1.138 4.168 693 2HA GLY 107 2HA GLY 107 -1.345 2.101 4.184 694 H VAL 108 H VAL 108 -2.050 -0.723 5.206 695 HA VAL 108 HA VAL 108 -1.340 -0.320 8.022 696 HB VAL 108 HB VAL 108 -3.416 -1.635 7.229 697 1HG1 VAL 108 1HG1 VAL 108 -1.588 -3.996 7.034 698 2HG1 VAL 108 2HG1 VAL 108 -3.206 -3.739 6.340 699 3HG1 VAL 108 3HG1 VAL 108 -1.786 -2.960 5.602 700 1HG2 VAL 108 1HG2 VAL 108 -1.613 -1.939 9.434 701 2HG2 VAL 108 2HG2 VAL 108 -3.373 -2.209 9.383 702 3HG2 VAL 108 3HG2 VAL 108 -2.258 -3.542 9.001 703 H ALA 109 H ALA 109 0.678 -0.843 8.723 704 HA ALA 109 HA ALA 109 2.713 -1.370 6.923 705 1HB ALA 109 1HB ALA 109 2.465 -0.691 9.599 706 2HB ALA 109 2HB ALA 109 3.180 -2.319 9.673 707 3HB ALA 109 3HB ALA 109 3.995 -1.032 8.754 708 H ILE 110 H ILE 110 2.148 -3.115 5.535 709 HA ILE 110 HA ILE 110 2.116 -5.722 6.891 710 HB ILE 110 HB ILE 110 0.242 -4.594 5.154 711 1HG1 ILE 110 1HG1 ILE 110 0.389 -6.623 6.952 712 2HG1 ILE 110 2HG1 ILE 110 -1.005 -6.307 5.903 713 1HG2 ILE 110 1HG2 ILE 110 1.818 -5.124 3.298 714 2HG2 ILE 110 2HG2 ILE 110 1.688 -6.844 3.735 715 3HG2 ILE 110 3HG2 ILE 110 0.249 -5.955 3.181 716 1HD1 ILE 110 1HD1 ILE 110 -0.069 -7.891 4.221 717 2HD1 ILE 110 2HD1 ILE 110 1.310 -8.207 5.301 718 3HD1 ILE 110 3HD1 ILE 110 -0.334 -8.684 5.792 719 H SER 111 H SER 111 3.113 -7.523 5.550 720 HA SER 111 HA SER 111 4.566 -8.225 3.974 721 1HB SER 111 1HB SER 111 4.477 -5.875 2.910 722 2HB SER 111 2HB SER 111 5.909 -5.501 3.886 723 HG SER 111 HG SER 111 5.645 -7.620 1.925 724 H PHE 112 H PHE 112 5.809 -5.673 6.247 725 HA PHE 112 HA PHE 112 8.239 -6.324 6.840 726 1HB PHE 112 1HB PHE 112 6.362 -4.941 8.111 727 2HB PHE 112 2HB PHE 112 6.146 -6.408 9.074 728 HD1 PHE 112 1HD PHE 112 7.977 -3.386 8.693 729 HD2 PHE 112 2HD PHE 112 8.245 -7.320 10.264 730 HE1 PHE 112 1HE PHE 112 9.858 -2.660 10.189 731 HE2 PHE 112 2HE PHE 112 10.125 -6.594 11.760 732 HZ PHE 112 HZ PHE 112 10.909 -4.273 11.704 733 H ASN 113 H ASN 113 9.522 -7.900 7.864 734 HA ASN 113 HA ASN 113 8.263 -10.481 7.957 735 1HB ASN 113 1HB ASN 113 10.405 -10.373 6.827 736 2HB ASN 113 2HB ASN 113 11.160 -9.528 8.182 737 1HD2 ASN 113 1HD2 ASN 113 10.730 -12.437 6.659 738 2HD2 ASN 113 2HD2 ASN 113 11.171 -13.538 7.924 739 6H NCZ 130 6H NCZ 130 1.989 13.775 0.073 740 6H1 NCZ 130 6H1 NCZ 130 -0.091 11.769 0.453 741 5H1 NCZ 130 5H1 NCZ 130 1.316 12.328 2.623 742 4H1 NCZ 130 4H1 NCZ 130 3.757 11.161 2.096 743 5H NCZ 130 5H NCZ 130 4.076 11.401 -1.514 744 3H1 NCZ 130 3H1 NCZ 130 3.392 9.841 0.079 745 2H1 NCZ 130 2H1 NCZ 130 1.690 11.429 -1.521 746 2H NCZ 130 2H NCZ 130 0.170 8.135 -4.291 747 8H NCZ 130 8H NCZ 130 -0.620 5.061 -3.782 748 7H NCZ 130 7H NCZ 130 -1.265 4.032 -1.632 749 3H NCZ 130 3H NCZ 130 -0.479 5.077 2.888 750 1H17 NCZ 130 1H17 NCZ 130 1.531 8.766 4.467 751 2H17 NCZ 130 2H17 NCZ 130 2.139 8.876 2.799 752 3H17 NCZ 130 3H17 NCZ 130 0.445 9.277 3.156 753 1H18 NCZ 130 1H18 NCZ 130 -1.238 3.111 -0.053 754 2H18 NCZ 130 2H18 NCZ 130 -1.096 3.146 1.719 755 3H18 NCZ 130 3H18 NCZ 130 -2.464 3.957 0.921 756 1H NCZ 130 1H NCZ 130 1.410 8.232 0.776 Start of MODEL 28 1 H ALA 1 H ALA 1 -12.490 -8.125 11.525 2 HA ALA 1 HA ALA 1 -10.601 -9.936 12.050 3 1HB ALA 1 1HB ALA 1 -9.770 -9.415 9.301 4 2HB ALA 1 2HB ALA 1 -9.871 -10.960 10.183 5 3HB ALA 1 3HB ALA 1 -11.307 -10.309 9.356 6 H ALA 2 H ALA 2 -10.698 -7.320 9.519 7 HA ALA 2 HA ALA 2 -9.386 -5.541 11.396 8 1HB ALA 2 1HB ALA 2 -7.353 -5.524 10.416 9 2HB ALA 2 2HB ALA 2 -7.838 -7.058 9.656 10 3HB ALA 2 3HB ALA 2 -8.050 -5.523 8.778 11 HA PRO 3 HA PRO 3 -12.078 -2.910 9.232 12 1HB PRO 3 1HB PRO 3 -11.378 -0.543 10.404 13 2HB PRO 3 2HB PRO 3 -12.510 -1.682 11.130 14 1HG PRO 3 1HG PRO 3 -9.687 -1.136 11.785 15 2HG PRO 3 2HG PRO 3 -10.944 -1.918 12.808 16 1HD PRO 3 1HD PRO 3 -8.772 -3.150 11.406 17 2HD PRO 3 2HD PRO 3 -10.076 -3.979 12.268 18 H THR 4 H THR 4 -12.105 -0.750 7.970 19 HA THR 4 HA THR 4 -11.381 0.079 6.010 20 HB THR 4 HB THR 4 -9.795 1.695 6.521 21 HG1 THR 4 1HG THR 4 -8.364 -0.510 7.829 22 1HG2 THR 4 1HG2 THR 4 -9.339 1.937 8.951 23 2HG2 THR 4 2HG2 THR 4 -11.043 1.488 8.699 24 3HG2 THR 4 3HG2 THR 4 -9.867 0.261 9.227 25 H ALA 5 H ALA 5 -8.952 0.218 4.677 26 HA ALA 5 HA ALA 5 -8.927 -2.308 3.443 27 1HB ALA 5 1HB ALA 5 -7.685 0.339 3.128 28 2HB ALA 5 2HB ALA 5 -6.610 -0.996 2.648 29 3HB ALA 5 3HB ALA 5 -8.213 -0.828 1.892 30 H THR 6 H THR 6 -8.036 -4.153 4.212 31 HA THR 6 HA THR 6 -5.430 -3.964 5.512 32 HB THR 6 HB THR 6 -6.538 -5.714 7.208 33 HG1 THR 6 1HG THR 6 -8.711 -5.737 6.801 34 1HG2 THR 6 1HG2 THR 6 -6.696 -2.690 7.204 35 2HG2 THR 6 2HG2 THR 6 -7.584 -3.582 8.465 36 3HG2 THR 6 3HG2 THR 6 -5.819 -3.767 8.320 37 H VAL 7 H VAL 7 -4.125 -5.796 5.275 38 HA VAL 7 HA VAL 7 -4.995 -7.489 3.091 39 HB VAL 7 HB VAL 7 -2.468 -6.576 4.281 40 1HG1 VAL 7 1HG1 VAL 7 -2.477 -9.069 4.763 41 2HG1 VAL 7 2HG1 VAL 7 -2.496 -9.321 3.001 42 3HG1 VAL 7 3HG1 VAL 7 -1.130 -8.474 3.765 43 1HG2 VAL 7 1HG2 VAL 7 -1.823 -7.109 1.780 44 2HG2 VAL 7 2HG2 VAL 7 -3.587 -7.201 1.565 45 3HG2 VAL 7 3HG2 VAL 7 -2.842 -5.704 2.177 46 H THR 8 H THR 8 -5.860 -9.476 3.381 47 HA THR 8 HA THR 8 -6.645 -10.552 5.702 48 HB THR 8 HB THR 8 -5.857 -11.632 3.003 49 HG1 THR 8 1HG THR 8 -8.177 -12.284 3.351 50 1HG2 THR 8 1HG2 THR 8 -6.342 -13.916 3.595 51 2HG2 THR 8 2HG2 THR 8 -5.142 -13.382 4.797 52 3HG2 THR 8 3HG2 THR 8 -6.866 -13.455 5.233 53 HA PRO 9 HA PRO 9 -2.684 -12.852 6.559 54 1HB PRO 9 1HB PRO 9 -0.656 -12.975 4.734 55 2HB PRO 9 2HB PRO 9 -1.913 -14.204 4.861 56 1HG PRO 9 1HG PRO 9 -1.570 -12.039 2.886 57 2HG PRO 9 2HG PRO 9 -2.544 -13.545 2.743 58 1HD PRO 9 1HD PRO 9 -3.458 -10.874 3.211 59 2HD PRO 9 2HD PRO 9 -4.440 -12.343 3.237 60 H SER 10 H SER 10 0.133 -12.324 6.131 61 HA SER 10 HA SER 10 0.072 -9.698 7.371 62 1HB SER 10 1HB SER 10 2.463 -10.379 8.062 63 2HB SER 10 2HB SER 10 1.121 -11.242 8.834 64 HG SER 10 HG SER 10 3.083 -12.465 7.843 65 H SER 11 H SER 11 1.353 -11.617 4.660 66 HA SER 11 HA SER 11 2.651 -11.139 2.972 67 1HB SER 11 1HB SER 11 0.584 -9.130 3.152 68 2HB SER 11 2HB SER 11 2.026 -8.405 2.422 69 HG SER 11 HG SER 11 0.986 -10.947 1.543 70 H GLY 12 H GLY 12 4.147 -9.125 1.957 71 1HA GLY 12 1HA GLY 12 5.811 -7.597 2.332 72 2HA GLY 12 2HA GLY 12 5.490 -7.641 4.054 73 H LEU 13 H LEU 13 5.639 -10.494 4.493 74 HA LEU 13 HA LEU 13 8.412 -10.760 4.792 75 1HB LEU 13 1HB LEU 13 7.873 -13.022 5.546 76 2HB LEU 13 2HB LEU 13 6.896 -11.769 6.331 77 HG LEU 13 HG LEU 13 5.411 -12.663 4.101 78 1HD1 LEU 13 1HD1 LEU 13 5.685 -14.854 3.825 79 2HD1 LEU 13 2HD1 LEU 13 7.204 -14.687 4.736 80 3HD1 LEU 13 3HD1 LEU 13 5.707 -15.155 5.578 81 1HD2 LEU 13 1HD2 LEU 13 4.451 -11.844 6.164 82 2HD2 LEU 13 2HD2 LEU 13 3.852 -13.488 5.834 83 3HD2 LEU 13 3HD2 LEU 13 5.114 -13.229 7.064 84 H SER 14 H SER 14 6.265 -11.323 2.114 85 HA SER 14 HA SER 14 8.516 -12.480 0.702 86 1HB SER 14 1HB SER 14 7.043 -14.356 1.365 87 2HB SER 14 2HB SER 14 5.671 -13.573 0.559 88 HG SER 14 HG SER 14 7.912 -14.937 -0.532 89 H ASP 15 H ASP 15 8.902 -10.650 -0.569 90 HA ASP 15 HA ASP 15 7.022 -8.899 -1.441 91 1HB ASP 15 1HB ASP 15 8.688 -8.299 -3.216 92 2HB ASP 15 2HB ASP 15 9.410 -8.432 -1.605 93 HD2 ASP 15 HD2 ASP 15 10.589 -10.867 -4.483 94 H GLY 16 H GLY 16 5.148 -9.628 -2.517 95 1HA GLY 16 1HA GLY 16 4.461 -10.007 -4.854 96 2HA GLY 16 2HA GLY 16 5.565 -11.369 -4.875 97 H THR 17 H THR 17 3.869 -10.702 -1.860 98 HA THR 17 HA THR 17 2.505 -13.235 -2.082 99 HB THR 17 HB THR 17 2.577 -11.110 0.124 100 HG1 THR 17 1HG THR 17 4.095 -13.488 -0.653 101 1HG2 THR 17 1HG2 THR 17 2.189 -13.213 1.555 102 2HG2 THR 17 2HG2 THR 17 0.780 -12.683 0.605 103 3HG2 THR 17 3HG2 THR 17 1.762 -14.058 0.048 104 H VAL 18 H VAL 18 0.708 -13.391 -3.280 105 HA VAL 18 HA VAL 18 -0.961 -11.109 -3.682 106 HB VAL 18 HB VAL 18 -1.723 -13.925 -4.357 107 1HG1 VAL 18 1HG1 VAL 18 -2.185 -12.425 -6.566 108 2HG1 VAL 18 2HG1 VAL 18 -3.362 -12.641 -5.248 109 3HG1 VAL 18 3HG1 VAL 18 -2.340 -11.184 -5.302 110 1HG2 VAL 18 1HG2 VAL 18 -0.291 -13.125 -6.563 111 2HG2 VAL 18 2HG2 VAL 18 0.726 -12.541 -5.223 112 3HG2 VAL 18 3HG2 VAL 18 0.284 -14.263 -5.320 113 H VAL 19 H VAL 19 -2.479 -10.382 -2.293 114 HA VAL 19 HA VAL 19 -3.931 -12.374 -0.729 115 HB VAL 19 HB VAL 19 -3.519 -11.395 1.310 116 1HG1 VAL 19 1HG1 VAL 19 -1.506 -12.494 0.806 117 2HG1 VAL 19 2HG1 VAL 19 -1.009 -11.249 -0.365 118 3HG1 VAL 19 3HG1 VAL 19 -0.987 -10.890 1.378 119 1HG2 VAL 19 1HG2 VAL 19 -3.820 -9.172 1.404 120 2HG2 VAL 19 2HG2 VAL 19 -2.071 -9.051 1.088 121 3HG2 VAL 19 3HG2 VAL 19 -3.230 -8.930 -0.259 122 H LYS 20 H LYS 20 -5.716 -10.880 0.602 123 HA LYS 20 HA LYS 20 -6.901 -9.214 -1.507 124 1HB LYS 20 1HB LYS 20 -7.887 -11.549 -0.443 125 2HB LYS 20 2HB LYS 20 -8.739 -10.311 0.495 126 1HG LYS 20 1HG LYS 20 -8.911 -9.258 -2.026 127 2HG LYS 20 2HG LYS 20 -8.923 -10.988 -2.404 128 1HD LYS 20 1HD LYS 20 -10.749 -11.222 -0.623 129 2HD LYS 20 2HD LYS 20 -10.837 -9.453 -0.597 130 1HE LYS 20 1HE LYS 20 -11.371 -9.441 -3.012 131 2HE LYS 20 2HE LYS 20 -11.240 -11.206 -3.068 132 1HZ LYS 20 1HZ LYS 20 -13.058 -11.317 -1.515 133 2HZ LYS 20 2HZ LYS 20 -13.158 -9.687 -1.438 134 3HZ LYS 20 3HZ LYS 20 -13.508 -10.463 -2.834 135 H VAL 21 H VAL 21 -7.314 -7.108 -1.037 136 HA VAL 21 HA VAL 21 -6.833 -6.311 1.742 137 HB VAL 21 HB VAL 21 -6.767 -4.690 -0.809 138 1HG1 VAL 21 1HG1 VAL 21 -7.042 -3.833 1.839 139 2HG1 VAL 21 2HG1 VAL 21 -5.315 -3.614 1.469 140 3HG1 VAL 21 3HG1 VAL 21 -6.548 -2.849 0.439 141 1HG2 VAL 21 1HG2 VAL 21 -4.258 -5.140 0.681 142 2HG2 VAL 21 2HG2 VAL 21 -4.941 -6.595 -0.088 143 3HG2 VAL 21 3HG2 VAL 21 -4.577 -5.157 -1.071 144 H ALA 22 H ALA 22 -8.784 -6.459 2.795 145 HA ALA 22 HA ALA 22 -11.167 -5.545 1.414 146 1HB ALA 22 1HB ALA 22 -12.066 -7.171 2.671 147 2HB ALA 22 2HB ALA 22 -10.512 -7.420 3.500 148 3HB ALA 22 3HB ALA 22 -11.678 -6.234 4.134 149 H GLY 23 H GLY 23 -11.818 -3.459 1.502 150 1HA GLY 23 1HA GLY 23 -10.784 -1.808 3.722 151 2HA GLY 23 2HA GLY 23 -11.186 -1.229 2.118 152 H ALA 24 H ALA 24 -12.559 -2.602 5.148 153 HA ALA 24 HA ALA 24 -15.250 -2.010 4.323 154 1HB ALA 24 1HB ALA 24 -14.756 -2.552 7.172 155 2HB ALA 24 2HB ALA 24 -15.788 -3.417 6.008 156 3HB ALA 24 3HB ALA 24 -14.045 -3.778 6.093 157 H GLY 25 H GLY 25 -16.261 -0.079 4.547 158 1HA GLY 25 1HA GLY 25 -16.583 2.082 5.090 159 2HA GLY 25 2HA GLY 25 -16.187 1.588 6.724 160 H LEU 26 H LEU 26 -14.118 1.685 3.744 161 HA LEU 26 HA LEU 26 -12.121 3.119 5.279 162 1HB LEU 26 1HB LEU 26 -11.695 1.099 3.818 163 2HB LEU 26 2HB LEU 26 -11.933 2.172 2.426 164 HG LEU 26 HG LEU 26 -9.677 1.976 4.359 165 1HD1 LEU 26 1HD1 LEU 26 -9.360 1.047 2.184 166 2HD1 LEU 26 2HD1 LEU 26 -9.931 2.537 1.397 167 3HD1 LEU 26 3HD1 LEU 26 -8.391 2.534 2.284 168 1HD2 LEU 26 1HD2 LEU 26 -10.361 4.217 4.858 169 2HD2 LEU 26 2HD2 LEU 26 -8.936 4.295 3.796 170 3HD2 LEU 26 3HD2 LEU 26 -10.558 4.599 3.131 171 H GLN 27 H GLN 27 -12.820 3.576 1.791 172 HA GLN 27 HA GLN 27 -12.705 6.395 2.235 173 1HB GLN 27 1HB GLN 27 -13.219 4.893 -0.357 174 2HB GLN 27 2HB GLN 27 -12.671 6.571 -0.196 175 1HG GLN 27 1HG GLN 27 -11.157 4.062 0.645 176 2HG GLN 27 2HG GLN 27 -10.773 5.091 -0.743 177 1HE2 GLN 27 1HE2 GLN 27 -8.802 4.638 0.940 178 2HE2 GLN 27 2HE2 GLN 27 -8.442 5.999 1.948 179 H ALA 28 H ALA 28 -15.076 4.337 2.925 180 HA ALA 28 HA ALA 28 -17.251 4.637 3.279 181 1HB ALA 28 1HB ALA 28 -16.412 7.199 3.144 182 2HB ALA 28 2HB ALA 28 -17.473 7.172 1.715 183 3HB ALA 28 3HB ALA 28 -18.126 6.755 3.317 184 H GLY 29 H GLY 29 -15.659 4.524 0.266 185 1HA GLY 29 1HA GLY 29 -16.796 2.819 -1.179 186 2HA GLY 29 2HA GLY 29 -18.181 3.892 -1.143 187 H THR 30 H THR 30 -15.581 5.963 -0.951 188 HA THR 30 HA THR 30 -15.920 6.977 -3.526 189 HB THR 30 HB THR 30 -13.401 7.366 -1.875 190 HG1 THR 30 1HG THR 30 -14.769 8.574 -0.417 191 1HG2 THR 30 1HG2 THR 30 -14.729 9.799 -2.383 192 2HG2 THR 30 2HG2 THR 30 -13.322 9.177 -3.280 193 3HG2 THR 30 3HG2 THR 30 -14.969 8.863 -3.879 194 H ALA 31 H ALA 31 -13.112 7.392 -4.282 195 HA ALA 31 HA ALA 31 -12.381 4.681 -5.115 196 1HB ALA 31 1HB ALA 31 -12.149 6.878 -7.128 197 2HB ALA 31 2HB ALA 31 -12.512 5.152 -7.357 198 3HB ALA 31 3HB ALA 31 -13.784 6.262 -6.795 199 H TYR 32 H TYR 32 -10.414 4.405 -4.178 200 HA TYR 32 HA TYR 32 -8.551 6.678 -4.356 201 1HB TYR 32 1HB TYR 32 -9.211 4.534 -2.281 202 2HB TYR 32 2HB TYR 32 -7.601 5.259 -2.276 203 HD1 TYR 32 1HD TYR 32 -7.422 6.711 -0.474 204 HD2 TYR 32 2HD TYR 32 -11.039 6.693 -2.760 205 HE1 TYR 32 1HE TYR 32 -8.319 8.641 0.916 206 HE2 TYR 32 2HE TYR 32 -11.924 8.624 -1.363 207 HH TYR 32 HH TYR 32 -9.979 9.963 1.297 208 H ASP 33 H ASP 33 -6.196 5.978 -4.338 209 HA ASP 33 HA ASP 33 -5.959 3.844 -6.239 210 1HB ASP 33 1HB ASP 33 -4.111 5.959 -5.108 211 2HB ASP 33 2HB ASP 33 -3.440 4.612 -6.038 212 HD2 ASP 33 HD2 ASP 33 -5.703 7.234 -8.013 213 H VAL 34 H VAL 34 -5.665 1.755 -5.443 214 HA VAL 34 HA VAL 34 -4.757 1.370 -2.751 215 HB VAL 34 HB VAL 34 -6.255 -0.040 -4.719 216 1HG1 VAL 34 1HG1 VAL 34 -4.021 -1.148 -5.172 217 2HG1 VAL 34 2HG1 VAL 34 -4.089 -1.780 -3.509 218 3HG1 VAL 34 3HG1 VAL 34 -5.339 -2.241 -4.690 219 1HG2 VAL 34 1HG2 VAL 34 -7.328 -0.187 -2.749 220 2HG2 VAL 34 2HG2 VAL 34 -6.287 -1.602 -2.454 221 3HG2 VAL 34 3HG2 VAL 34 -5.825 -0.009 -1.810 222 H GLY 35 H GLY 35 -2.778 0.525 -2.063 223 1HA GLY 35 1HA GLY 35 -0.851 -0.737 -3.518 224 2HA GLY 35 2HA GLY 35 -0.568 0.961 -3.845 225 H GLN 36 H GLN 36 1.321 -0.660 -2.463 226 HA GLN 36 HA GLN 36 0.953 0.026 0.319 227 1HB GLN 36 1HB GLN 36 3.325 -1.213 0.336 228 2HB GLN 36 2HB GLN 36 1.804 -2.122 0.282 229 1HG GLN 36 1HG GLN 36 2.273 -2.931 -1.778 230 2HG GLN 36 2HG GLN 36 2.687 -1.329 -2.401 231 1HE2 GLN 36 1HE2 GLN 36 4.381 -2.257 -3.581 232 2HE2 GLN 36 2HE2 GLN 36 5.884 -2.711 -2.850 233 H CYS 37 H CYS 37 1.413 2.170 0.720 234 HA CYS 37 HA CYS 37 3.839 3.228 -0.525 235 1HB CYS 37 1HB CYS 37 1.537 4.319 -0.866 236 2HB CYS 37 2HB CYS 37 1.707 4.890 0.796 237 H ALA 38 H ALA 38 5.265 4.548 0.902 238 HA ALA 38 HA ALA 38 4.884 4.790 3.639 239 1HB ALA 38 1HB ALA 38 6.081 2.202 2.709 240 2HB ALA 38 2HB ALA 38 6.785 2.981 4.146 241 3HB ALA 38 3HB ALA 38 5.061 2.541 4.126 242 H TRP 39 H TRP 39 7.091 5.334 4.739 243 HA TRP 39 HA TRP 39 8.440 7.117 2.956 244 1HB TRP 39 1HB TRP 39 9.706 7.752 4.954 245 2HB TRP 39 2HB TRP 39 7.959 7.837 5.190 246 HD1 TRP 39 HD TRP 39 11.035 5.820 6.347 247 HE1 TRP 39 1HE TRP 39 10.498 4.416 8.515 248 HE3 TRP 39 3HE TRP 39 6.041 6.774 6.360 249 HZ2 TRP 39 2HZ TRP 39 8.096 3.872 9.958 250 HZ3 TRP 39 3HZ TRP 39 4.672 5.768 8.185 251 HH2 TRP 39 HH TRP 39 5.622 4.361 9.943 252 H VAL 40 H VAL 40 9.939 6.338 1.531 253 HA VAL 40 HA VAL 40 11.451 3.969 2.319 254 HB VAL 40 HB VAL 40 10.117 4.398 0.086 255 1HG1 VAL 40 1HG1 VAL 40 11.170 6.431 -0.621 256 2HG1 VAL 40 2HG1 VAL 40 12.794 5.727 -0.436 257 3HG1 VAL 40 3HG1 VAL 40 11.710 5.140 -1.721 258 1HG2 VAL 40 1HG2 VAL 40 12.092 3.025 -1.067 259 2HG2 VAL 40 2HG2 VAL 40 12.673 2.941 0.612 260 3HG2 VAL 40 3HG2 VAL 40 11.060 2.315 0.197 261 H ASP 41 H ASP 41 11.864 7.349 1.088 262 HA ASP 41 HA ASP 41 14.685 7.141 1.518 263 1HB ASP 41 1HB ASP 41 12.929 8.750 -0.038 264 2HB ASP 41 2HB ASP 41 13.731 9.858 1.084 265 HD2 ASP 41 HD2 ASP 41 15.733 9.544 -1.927 266 H THR 42 H THR 42 15.373 9.677 2.515 267 HA THR 42 HA THR 42 15.019 9.409 5.256 268 HB THR 42 HB THR 42 15.937 11.609 3.367 269 HG1 THR 42 1HG THR 42 17.122 9.555 4.068 270 1HG2 THR 42 1HG2 THR 42 16.804 12.126 6.056 271 2HG2 THR 42 2HG2 THR 42 15.822 13.185 5.016 272 3HG2 THR 42 3HG2 THR 42 15.027 12.015 6.097 273 H GLY 43 H GLY 43 12.847 9.063 5.807 274 1HA GLY 43 1HA GLY 43 10.778 9.677 6.436 275 2HA GLY 43 2HA GLY 43 11.417 11.297 6.612 276 H VAL 44 H VAL 44 11.677 9.798 3.436 277 HA VAL 44 HA VAL 44 9.688 11.701 2.466 278 HB VAL 44 HB VAL 44 11.770 10.062 1.005 279 1HG1 VAL 44 1HG1 VAL 44 10.055 12.374 0.035 280 2HG1 VAL 44 2HG1 VAL 44 11.309 11.527 -0.900 281 3HG1 VAL 44 3HG1 VAL 44 9.836 10.662 -0.400 282 1HG2 VAL 44 1HG2 VAL 44 13.200 11.529 1.942 283 2HG2 VAL 44 2HG2 VAL 44 12.526 12.689 0.773 284 3HG2 VAL 44 3HG2 VAL 44 11.896 12.637 2.435 285 H LEU 45 H LEU 45 7.645 10.987 2.177 286 HA LEU 45 HA LEU 45 7.031 8.237 2.276 287 1HB LEU 45 1HB LEU 45 5.689 10.743 2.359 288 2HB LEU 45 2HB LEU 45 4.884 9.717 1.158 289 HG LEU 45 HG LEU 45 5.489 8.755 3.954 290 1HD1 LEU 45 1HD1 LEU 45 3.036 10.267 3.017 291 2HD1 LEU 45 2HD1 LEU 45 3.154 9.364 4.546 292 3HD1 LEU 45 3HD1 LEU 45 4.208 10.770 4.261 293 1HD2 LEU 45 1HD2 LEU 45 3.645 7.195 3.504 294 2HD2 LEU 45 2HD2 LEU 45 3.471 7.880 1.870 295 3HD2 LEU 45 3HD2 LEU 45 4.967 7.029 2.323 296 H ALA 46 H ALA 46 7.662 6.840 0.710 297 HA ALA 46 HA ALA 46 7.208 7.713 -2.061 298 1HB ALA 46 1HB ALA 46 9.326 5.757 -1.102 299 2HB ALA 46 2HB ALA 46 9.167 6.491 -2.716 300 3HB ALA 46 3HB ALA 46 9.634 7.496 -1.322 301 H CYS 47 H CYS 47 5.972 6.371 -3.341 302 HA CYS 47 HA CYS 47 4.822 4.094 -1.951 303 1HB CYS 47 1HB CYS 47 3.974 5.291 -4.587 304 2HB CYS 47 2HB CYS 47 3.068 4.161 -3.575 305 H ASN 48 H ASN 48 4.581 2.013 -3.207 306 HA ASN 48 HA ASN 48 7.046 1.467 -4.529 307 1HB ASN 48 1HB ASN 48 4.713 -0.100 -3.468 308 2HB ASN 48 2HB ASN 48 5.654 -0.871 -4.755 309 1HD2 ASN 48 1HD2 ASN 48 6.640 1.357 -2.174 310 2HD2 ASN 48 2HD2 ASN 48 7.769 0.305 -1.387 311 HA PRO 49 HA PRO 49 5.388 1.377 -8.592 312 1HB PRO 49 1HB PRO 49 6.528 -0.809 -9.771 313 2HB PRO 49 2HB PRO 49 7.379 0.721 -9.547 314 1HG PRO 49 1HG PRO 49 7.605 -1.813 -8.053 315 2HG PRO 49 2HG PRO 49 8.780 -0.453 -8.139 316 1HD PRO 49 1HD PRO 49 7.010 -1.145 -5.996 317 2HD PRO 49 2HD PRO 49 8.032 0.295 -6.099 318 H ALA 50 H ALA 50 4.702 -1.228 -6.555 319 HA ALA 50 HA ALA 50 2.600 -2.110 -8.401 320 1HB ALA 50 1HB ALA 50 2.922 -4.213 -7.601 321 2HB ALA 50 2HB ALA 50 4.500 -3.575 -7.076 322 3HB ALA 50 3HB ALA 50 3.143 -3.651 -5.925 323 H ASP 51 H ASP 51 2.907 0.300 -6.342 324 HA ASP 51 HA ASP 51 0.695 -0.369 -4.620 325 1HB ASP 51 1HB ASP 51 2.116 0.883 -3.332 326 2HB ASP 51 2HB ASP 51 2.830 1.705 -4.730 327 HD2 ASP 51 HD2 ASP 51 0.622 4.370 -4.456 328 H PHE 52 H PHE 52 0.734 0.203 -7.737 329 HA PHE 52 HA PHE 52 -1.170 2.433 -7.716 330 1HB PHE 52 1HB PHE 52 0.195 1.099 -10.107 331 2HB PHE 52 2HB PHE 52 -0.457 2.740 -10.028 332 HD1 PHE 52 1HD PHE 52 2.357 1.707 -10.894 333 HD2 PHE 52 2HD PHE 52 0.847 3.394 -7.305 334 HE1 PHE 52 1HE PHE 52 4.647 2.574 -10.338 335 HE2 PHE 52 2HE PHE 52 3.135 4.260 -6.748 336 HZ PHE 52 HZ PHE 52 5.009 3.841 -8.272 337 H SER 53 H SER 53 -3.107 1.355 -7.201 338 HA SER 53 HA SER 53 -4.094 -0.261 -9.362 339 1HB SER 53 1HB SER 53 -3.158 -1.455 -6.959 340 2HB SER 53 2HB SER 53 -4.928 -1.531 -6.890 341 HG SER 53 HG SER 53 -3.177 -2.550 -8.955 342 H SER 54 H SER 54 -5.386 1.707 -9.679 343 HA SER 54 HA SER 54 -6.852 2.918 -7.722 344 1HB SER 54 1HB SER 54 -8.193 3.856 -9.532 345 2HB SER 54 2HB SER 54 -6.491 3.799 -10.028 346 HG SER 54 HG SER 54 -7.226 1.585 -10.973 347 H VAL 55 H VAL 55 -8.641 2.318 -6.538 348 HA VAL 55 HA VAL 55 -10.522 0.451 -7.702 349 HB VAL 55 HB VAL 55 -8.649 -0.832 -6.532 350 1HG1 VAL 55 1HG1 VAL 55 -8.727 0.878 -4.559 351 2HG1 VAL 55 2HG1 VAL 55 -10.072 -0.129 -3.972 352 3HG1 VAL 55 3HG1 VAL 55 -8.460 -0.847 -4.215 353 1HG2 VAL 55 1HG2 VAL 55 -10.140 -2.494 -6.427 354 2HG2 VAL 55 2HG2 VAL 55 -11.011 -1.721 -5.081 355 3HG2 VAL 55 3HG2 VAL 55 -11.400 -1.280 -6.762 356 H THR 56 H THR 56 -12.546 0.342 -6.388 357 HA THR 56 HA THR 56 -12.806 2.707 -4.651 358 HB THR 56 HB THR 56 -14.156 1.974 -7.183 359 HG1 THR 56 1HG THR 56 -14.706 4.344 -6.727 360 1HG2 THR 56 1HG2 THR 56 -16.371 2.871 -6.444 361 2HG2 THR 56 2HG2 THR 56 -16.006 1.331 -5.627 362 3HG2 THR 56 3HG2 THR 56 -15.801 2.871 -4.757 363 H ALA 57 H ALA 57 -14.674 2.584 -3.132 364 HA ALA 57 HA ALA 57 -14.879 -0.183 -2.182 365 1HB ALA 57 1HB ALA 57 -14.793 2.526 -0.891 366 2HB ALA 57 2HB ALA 57 -15.700 1.230 -0.079 367 3HB ALA 57 3HB ALA 57 -13.968 1.019 -0.429 368 H ASP 58 H ASP 58 -16.946 -1.022 -1.531 369 HA ASP 58 HA ASP 58 -18.991 -0.308 -3.248 370 1HB ASP 58 1HB ASP 58 -19.439 -1.699 -0.591 371 2HB ASP 58 2HB ASP 58 -20.278 -1.980 -2.124 372 HD2 ASP 58 HD2 ASP 58 -17.878 -4.653 -1.491 373 H ALA 59 H ALA 59 -21.271 0.407 -2.476 374 HA ALA 59 HA ALA 59 -21.342 2.875 -1.465 375 1HB ALA 59 1HB ALA 59 -23.477 2.436 -2.018 376 2HB ALA 59 2HB ALA 59 -23.208 0.683 -1.866 377 3HB ALA 59 3HB ALA 59 -23.665 1.640 -0.438 378 H ASN 60 H ASN 60 -21.083 -0.174 0.392 379 HA ASN 60 HA ASN 60 -21.344 1.261 2.858 380 1HB ASN 60 1HB ASN 60 -21.936 -1.305 2.137 381 2HB ASN 60 2HB ASN 60 -20.328 -1.567 2.824 382 1HD2 ASN 60 1HD2 ASN 60 -23.602 -1.268 3.421 383 2HD2 ASN 60 2HD2 ASN 60 -23.591 -1.053 5.140 384 H GLY 61 H GLY 61 -19.157 2.119 1.144 385 1HA GLY 61 1HA GLY 61 -16.906 2.340 1.031 386 2HA GLY 61 2HA GLY 61 -17.041 2.417 2.776 387 H SER 62 H SER 62 -17.684 -0.413 0.618 388 HA SER 62 HA SER 62 -15.612 -1.800 2.120 389 1HB SER 62 1HB SER 62 -18.010 -2.865 0.577 390 2HB SER 62 2HB SER 62 -16.800 -3.890 1.372 391 HG SER 62 HG SER 62 -18.959 -3.170 2.507 392 H ALA 63 H ALA 63 -13.735 -1.401 0.905 393 HA ALA 63 HA ALA 63 -13.910 -1.965 -1.967 394 1HB ALA 63 1HB ALA 63 -11.452 -0.867 -1.605 395 2HB ALA 63 2HB ALA 63 -12.920 0.094 -1.907 396 3HB ALA 63 3HB ALA 63 -12.325 -0.122 -0.243 397 H SER 64 H SER 64 -13.842 -4.252 -1.907 398 HA SER 64 HA SER 64 -11.607 -5.405 -0.483 399 1HB SER 64 1HB SER 64 -12.699 -7.584 -1.154 400 2HB SER 64 2HB SER 64 -13.706 -6.541 -0.132 401 HG SER 64 HG SER 64 -14.393 -7.615 -2.443 402 H THR 65 H THR 65 -9.895 -4.608 -1.892 403 HA THR 65 HA THR 65 -9.939 -5.790 -4.588 404 HB THR 65 HB THR 65 -9.823 -3.242 -4.313 405 HG1 THR 65 1HG THR 65 -7.450 -4.647 -5.319 406 1HG2 THR 65 1HG2 THR 65 -8.349 -2.910 -2.425 407 2HG2 THR 65 2HG2 THR 65 -7.157 -4.066 -3.068 408 3HG2 THR 65 3HG2 THR 65 -7.383 -2.487 -3.859 409 H SER 66 H SER 66 -8.432 -7.253 -5.207 410 HA SER 66 HA SER 66 -6.607 -8.041 -3.092 411 1HB SER 66 1HB SER 66 -6.422 -10.171 -4.313 412 2HB SER 66 2HB SER 66 -8.119 -9.787 -3.979 413 HG SER 66 HG SER 66 -8.512 -9.656 -6.088 414 H LEU 67 H LEU 67 -4.342 -8.130 -3.433 415 HA LEU 67 HA LEU 67 -3.287 -7.672 -6.060 416 1HB LEU 67 1HB LEU 67 -3.899 -5.443 -4.479 417 2HB LEU 67 2HB LEU 67 -2.142 -5.639 -4.376 418 HG LEU 67 HG LEU 67 -3.802 -5.326 -6.891 419 1HD1 LEU 67 1HD1 LEU 67 -2.079 -3.468 -5.286 420 2HD1 LEU 67 2HD1 LEU 67 -2.230 -3.247 -7.046 421 3HD1 LEU 67 3HD1 LEU 67 -3.680 -3.195 -6.016 422 1HD2 LEU 67 1HD2 LEU 67 -1.919 -6.863 -7.256 423 2HD2 LEU 67 2HD2 LEU 67 -1.708 -5.326 -8.129 424 3HD2 LEU 67 3HD2 LEU 67 -0.797 -5.631 -6.631 425 H THR 68 H THR 68 -0.711 -7.324 -5.714 426 HA THR 68 HA THR 68 0.025 -9.401 -3.764 427 HB THR 68 HB THR 68 0.386 -9.850 -6.230 428 HG1 THR 68 1HG THR 68 2.440 -10.670 -5.670 429 1HG2 THR 68 1HG2 THR 68 1.449 -8.335 -7.568 430 2HG2 THR 68 2HG2 THR 68 1.399 -7.175 -6.221 431 3HG2 THR 68 3HG2 THR 68 2.810 -8.239 -6.425 432 H VAL 69 H VAL 69 1.438 -9.017 -2.139 433 HA VAL 69 HA VAL 69 2.217 -6.240 -1.810 434 HB VAL 69 HB VAL 69 2.300 -8.656 0.004 435 1HG1 VAL 69 1HG1 VAL 69 3.395 -5.891 0.322 436 2HG1 VAL 69 2HG1 VAL 69 2.617 -6.652 1.730 437 3HG1 VAL 69 3HG1 VAL 69 4.003 -7.445 0.943 438 1HG2 VAL 69 1HG2 VAL 69 0.194 -8.154 0.530 439 2HG2 VAL 69 2HG2 VAL 69 0.667 -6.490 0.948 440 3HG2 VAL 69 3HG2 VAL 69 0.198 -6.888 -0.723 441 H ARG 70 H ARG 70 3.849 -6.076 -3.452 442 HA ARG 70 HA ARG 70 6.081 -7.870 -3.146 443 1HB ARG 70 1HB ARG 70 5.574 -5.621 -5.150 444 2HB ARG 70 2HB ARG 70 6.928 -6.761 -5.228 445 1HG ARG 70 1HG ARG 70 4.306 -8.080 -4.977 446 2HG ARG 70 2HG ARG 70 4.435 -7.089 -6.442 447 1HD ARG 70 1HD ARG 70 6.552 -8.271 -7.023 448 2HD ARG 70 2HD ARG 70 6.397 -9.270 -5.569 449 HE ARG 70 HE ARG 70 4.005 -9.721 -6.793 450 1HH1 ARG 70 1HH1 ARG 70 7.288 -9.740 -8.059 451 2HH1 ARG 70 2HH1 ARG 70 6.945 -10.911 -9.289 452 1HH2 ARG 70 1HH2 ARG 70 3.550 -11.266 -8.414 453 2HH2 ARG 70 2HH2 ARG 70 4.804 -11.784 -9.492 454 H ARG 71 H ARG 71 6.714 -6.993 -0.993 455 HA ARG 71 HA ARG 71 7.168 -4.416 -0.403 456 1HB ARG 71 1HB ARG 71 7.514 -5.809 1.414 457 2HB ARG 71 2HB ARG 71 8.392 -7.020 0.466 458 1HG ARG 71 1HG ARG 71 9.711 -4.361 0.730 459 2HG ARG 71 2HG ARG 71 9.581 -5.296 2.231 460 1HD ARG 71 1HD ARG 71 10.825 -6.231 -0.394 461 2HD ARG 71 2HD ARG 71 11.710 -5.800 1.077 462 HE ARG 71 HE ARG 71 9.686 -7.939 1.351 463 1HH1 ARG 71 1HH1 ARG 71 13.078 -7.123 0.877 464 2HH1 ARG 71 2HH1 ARG 71 13.653 -8.676 1.382 465 1HH2 ARG 71 1HH2 ARG 71 10.447 -9.989 2.017 466 2HH2 ARG 71 2HH2 ARG 71 12.148 -10.318 2.034 467 H SER 72 H SER 72 9.222 -6.668 -2.297 468 HA SER 72 HA SER 72 11.327 -4.728 -2.450 469 1HB SER 72 1HB SER 72 12.432 -6.452 -3.887 470 2HB SER 72 2HB SER 72 11.944 -7.083 -2.305 471 HG SER 72 HG SER 72 10.727 -7.510 -4.885 472 H PHE 73 H PHE 73 11.658 -3.295 -4.145 473 HA PHE 73 HA PHE 73 11.147 -3.583 -6.748 474 1HB PHE 73 1HB PHE 73 8.686 -3.386 -5.155 475 2HB PHE 73 2HB PHE 73 8.789 -2.005 -6.254 476 HD1 PHE 73 1HD PHE 73 7.218 -4.938 -5.980 477 HD2 PHE 73 2HD PHE 73 9.882 -3.031 -8.678 478 HE1 PHE 73 1HE PHE 73 6.359 -6.379 -7.847 479 HE2 PHE 73 2HE PHE 73 9.023 -4.470 -10.546 480 HZ PHE 73 HZ PHE 73 7.272 -6.129 -10.108 481 H GLU 74 H GLU 74 10.718 -1.354 -7.913 482 HA GLU 74 HA GLU 74 12.409 0.498 -6.561 483 1HB GLU 74 1HB GLU 74 12.706 0.093 -8.947 484 2HB GLU 74 2HB GLU 74 11.041 0.600 -9.285 485 1HG GLU 74 1HG GLU 74 11.938 2.794 -7.951 486 2HG GLU 74 2HG GLU 74 13.466 2.242 -8.655 487 HE2 GLU 74 HE2 GLU 74 12.342 4.094 -11.375 488 H GLY 75 H GLY 75 11.648 1.973 -5.113 489 1HA GLY 75 1HA GLY 75 8.821 2.639 -5.102 490 2HA GLY 75 2HA GLY 75 10.030 3.068 -3.909 491 H PHE 76 H PHE 76 8.239 5.020 -4.713 492 HA PHE 76 HA PHE 76 10.031 6.823 -6.135 493 1HB PHE 76 1HB PHE 76 7.014 6.623 -6.623 494 2HB PHE 76 2HB PHE 76 8.185 7.517 -7.598 495 HD1 PHE 76 1HD PHE 76 7.181 4.079 -6.604 496 HD2 PHE 76 2HD PHE 76 9.158 6.508 -9.468 497 HE1 PHE 76 1HE PHE 76 7.391 2.102 -8.135 498 HE2 PHE 76 2HE PHE 76 9.370 4.529 -11.000 499 HZ PHE 76 HZ PHE 76 8.483 2.350 -10.315 500 H LEU 77 H LEU 77 10.167 8.799 -5.148 501 HA LEU 77 HA LEU 77 8.897 9.203 -2.691 502 1HB LEU 77 1HB LEU 77 10.253 11.179 -4.522 503 2HB LEU 77 2HB LEU 77 9.878 11.438 -2.808 504 HG LEU 77 HG LEU 77 12.073 10.871 -2.633 505 1HD1 LEU 77 1HD1 LEU 77 10.854 8.099 -2.777 506 2HD1 LEU 77 2HD1 LEU 77 12.349 8.566 -1.930 507 3HD1 LEU 77 3HD1 LEU 77 10.777 9.192 -1.376 508 1HD2 LEU 77 1HD2 LEU 77 12.068 8.763 -4.769 509 2HD2 LEU 77 2HD2 LEU 77 12.097 10.485 -5.220 510 3HD2 LEU 77 3HD2 LEU 77 13.389 9.811 -4.197 511 H PHE 78 H PHE 78 7.367 10.940 -2.095 512 HA PHE 78 HA PHE 78 5.183 10.948 -3.960 513 1HB PHE 78 1HB PHE 78 4.576 10.672 -1.672 514 2HB PHE 78 2HB PHE 78 5.809 11.803 -1.107 515 HD1 PHE 78 1HD PHE 78 4.864 13.607 -0.046 516 HD2 PHE 78 2HD PHE 78 2.925 12.039 -3.480 517 HE1 PHE 78 1HE PHE 78 3.119 15.403 0.119 518 HE2 PHE 78 2HE PHE 78 1.180 13.836 -3.315 519 HZ PHE 78 HZ PHE 78 1.298 15.496 -1.518 520 H ASP 79 H ASP 79 7.862 13.028 -3.120 521 HA ASP 79 HA ASP 79 6.714 15.489 -3.558 522 1HB ASP 79 1HB ASP 79 9.071 14.848 -2.700 523 2HB ASP 79 2HB ASP 79 9.539 14.734 -4.403 524 HD2 ASP 79 HD2 ASP 79 8.859 18.338 -2.855 525 H GLY 80 H GLY 80 8.515 13.240 -5.789 526 1HA GLY 80 1HA GLY 80 6.959 13.458 -8.006 527 2HA GLY 80 2HA GLY 80 8.001 14.863 -8.109 528 H THR 81 H THR 81 10.216 13.408 -6.573 529 HA THR 81 HA THR 81 11.359 12.133 -8.911 530 HB THR 81 HB THR 81 12.713 13.754 -7.671 531 HG1 THR 81 1HG THR 81 13.419 11.024 -6.871 532 1HG2 THR 81 1HG2 THR 81 13.242 12.292 -5.246 533 2HG2 THR 81 2HG2 THR 81 12.566 13.931 -5.400 534 3HG2 THR 81 3HG2 THR 81 11.481 12.522 -5.354 535 H ARG 82 H ARG 82 12.542 10.044 -8.708 536 HA ARG 82 HA ARG 82 10.854 8.260 -7.168 537 1HB ARG 82 1HB ARG 82 11.668 6.488 -8.711 538 2HB ARG 82 2HB ARG 82 10.957 7.837 -9.616 539 1HG ARG 82 1HG ARG 82 13.835 8.184 -9.099 540 2HG ARG 82 2HG ARG 82 13.487 6.720 -10.034 541 1HD ARG 82 1HD ARG 82 11.851 8.571 -11.260 542 2HD ARG 82 2HD ARG 82 13.227 9.584 -10.798 543 HE ARG 82 HE ARG 82 14.592 8.385 -12.307 544 1HH1 ARG 82 1HH1 ARG 82 11.470 6.796 -11.964 545 2HH1 ARG 82 2HH1 ARG 82 11.725 5.725 -13.301 546 1HH2 ARG 82 1HH2 ARG 82 14.925 6.972 -14.072 547 2HH2 ARG 82 2HH2 ARG 82 13.705 5.824 -14.508 548 H TRP 83 H TRP 83 11.867 6.472 -5.950 549 HA TRP 83 HA TRP 83 14.594 7.172 -5.117 550 1HB TRP 83 1HB TRP 83 12.857 7.308 -3.394 551 2HB TRP 83 2HB TRP 83 12.457 5.608 -3.654 552 HD1 TRP 83 HD TRP 83 13.570 4.110 -1.841 553 HE1 TRP 83 1HE TRP 83 15.746 4.077 -0.348 554 HE3 TRP 83 3HE TRP 83 15.533 8.420 -3.687 555 HZ2 TRP 83 2HZ TRP 83 17.994 5.820 -0.114 556 HZ3 TRP 83 3HZ TRP 83 17.723 9.186 -2.772 557 HH2 TRP 83 HH TRP 83 18.945 7.961 -1.046 558 H GLY 84 H GLY 84 12.799 4.090 -4.671 559 1HA GLY 84 1HA GLY 84 13.239 2.386 -6.503 560 2HA GLY 84 2HA GLY 84 14.928 2.736 -6.201 561 H THR 85 H THR 85 15.852 2.270 -4.045 562 HA THR 85 HA THR 85 16.143 1.012 -2.233 563 HB THR 85 HB THR 85 13.101 1.200 -2.288 564 HG1 THR 85 1HG THR 85 15.166 2.736 -1.584 565 1HG2 THR 85 1HG2 THR 85 13.696 0.512 0.294 566 2HG2 THR 85 2HG2 THR 85 13.129 -0.670 -0.909 567 3HG2 THR 85 3HG2 THR 85 14.868 -0.513 -0.568 568 H VAL 86 H VAL 86 13.368 -0.497 -4.028 569 HA VAL 86 HA VAL 86 13.265 -2.455 -5.076 570 HB VAL 86 HB VAL 86 16.146 -2.942 -4.310 571 1HG1 VAL 86 1HG1 VAL 86 15.923 -4.861 -5.419 572 2HG1 VAL 86 2HG1 VAL 86 14.200 -4.507 -5.686 573 3HG1 VAL 86 3HG1 VAL 86 15.413 -3.977 -6.876 574 1HG2 VAL 86 1HG2 VAL 86 15.078 -1.562 -6.797 575 2HG2 VAL 86 2HG2 VAL 86 15.929 -0.763 -5.452 576 3HG2 VAL 86 3HG2 VAL 86 16.780 -1.961 -6.458 577 H ASP 87 H ASP 87 14.318 -1.969 -1.809 578 HA ASP 87 HA ASP 87 12.992 -4.457 -1.126 579 1HB ASP 87 1HB ASP 87 15.742 -4.162 -0.963 580 2HB ASP 87 2HB ASP 87 15.236 -3.709 0.672 581 HD2 ASP 87 HD2 ASP 87 15.149 -7.016 1.472 582 H CYS 88 H CYS 88 11.162 -3.436 -0.197 583 HA CYS 88 HA CYS 88 11.599 -1.144 1.511 584 1HB CYS 88 1HB CYS 88 9.813 -0.962 -0.060 585 2HB CYS 88 2HB CYS 88 9.095 -2.482 0.478 586 H THR 89 H THR 89 12.806 -3.551 2.443 587 HA THR 89 HA THR 89 10.959 -4.692 4.381 588 HB THR 89 HB THR 89 12.524 -6.120 3.023 589 HG1 THR 89 1HG THR 89 13.131 -5.783 5.878 590 1HG2 THR 89 1HG2 THR 89 14.708 -4.841 4.741 591 2HG2 THR 89 2HG2 THR 89 14.914 -6.086 3.487 592 3HG2 THR 89 3HG2 THR 89 14.461 -4.427 3.027 593 H THR 90 H THR 90 13.069 -2.011 4.143 594 HA THR 90 HA THR 90 13.738 -2.061 6.974 595 HB THR 90 HB THR 90 14.426 -0.260 4.602 596 HG1 THR 90 1HG THR 90 16.553 -1.251 5.295 597 1HG2 THR 90 1HG2 THR 90 16.162 0.678 6.244 598 2HG2 THR 90 2HG2 THR 90 14.492 1.212 6.548 599 3HG2 THR 90 3HG2 THR 90 15.214 -0.069 7.552 600 H ALA 91 H ALA 91 11.859 -0.025 4.647 601 HA ALA 91 HA ALA 91 10.722 1.390 6.918 602 1HB ALA 91 1HB ALA 91 11.396 2.796 5.117 603 2HB ALA 91 2HB ALA 91 10.634 1.737 3.904 604 3HB ALA 91 3HB ALA 91 9.622 2.700 5.009 605 H ALA 92 H ALA 92 8.625 1.132 7.646 606 HA ALA 92 HA ALA 92 7.314 -1.270 6.970 607 1HB ALA 92 1HB ALA 92 5.908 -0.727 8.731 608 2HB ALA 92 2HB ALA 92 7.329 0.262 9.140 609 3HB ALA 92 3HB ALA 92 5.923 1.012 8.349 610 H CYS 93 H CYS 93 6.343 -1.627 5.034 611 HA CYS 93 HA CYS 93 5.252 0.634 3.609 612 1HB CYS 93 1HB CYS 93 4.864 -2.030 2.459 613 2HB CYS 93 2HB CYS 93 5.533 -0.561 1.740 614 H GLN 94 H GLN 94 3.092 1.171 3.712 615 HA GLN 94 HA GLN 94 1.361 -0.798 4.975 616 1HB GLN 94 1HB GLN 94 0.017 0.995 5.752 617 2HB GLN 94 2HB GLN 94 1.686 1.549 5.985 618 1HG GLN 94 1HG GLN 94 1.300 2.506 3.505 619 2HG GLN 94 2HG GLN 94 -0.397 2.469 4.012 620 1HE2 GLN 94 1HE2 GLN 94 -0.571 3.207 6.457 621 2HE2 GLN 94 2HE2 GLN 94 0.146 4.744 6.801 622 H VAL 95 H VAL 95 -0.135 -1.840 3.729 623 HA VAL 95 HA VAL 95 -0.501 -0.895 1.013 624 HB VAL 95 HB VAL 95 -1.816 -3.328 2.141 625 1HG1 VAL 95 1HG1 VAL 95 -0.422 -3.759 -0.313 626 2HG1 VAL 95 2HG1 VAL 95 -2.179 -3.703 -0.025 627 3HG1 VAL 95 3HG1 VAL 95 -1.299 -2.213 -0.442 628 1HG2 VAL 95 1HG2 VAL 95 0.147 -4.012 3.029 629 2HG2 VAL 95 2HG2 VAL 95 0.580 -4.352 1.336 630 3HG2 VAL 95 3HG2 VAL 95 1.102 -2.831 2.100 631 H GLY 96 H GLY 96 -2.059 0.580 0.601 632 1HA GLY 96 1HA GLY 96 -4.736 0.130 1.572 633 2HA GLY 96 2HA GLY 96 -3.958 1.527 2.288 634 H LEU 97 H LEU 97 -6.138 2.153 0.862 635 HA LEU 97 HA LEU 97 -5.157 2.906 -1.797 636 1HB LEU 97 1HB LEU 97 -7.658 3.341 -2.154 637 2HB LEU 97 2HB LEU 97 -7.056 1.673 -2.160 638 HG LEU 97 HG LEU 97 -8.234 2.921 0.319 639 1HD1 LEU 97 1HD1 LEU 97 -9.652 2.005 -2.130 640 2HD1 LEU 97 2HD1 LEU 97 -10.321 1.494 -0.562 641 3HD1 LEU 97 3HD1 LEU 97 -10.112 3.226 -0.918 642 1HD2 LEU 97 1HD2 LEU 97 -8.863 0.199 0.137 643 2HD2 LEU 97 2HD2 LEU 97 -7.178 0.330 -0.420 644 3HD2 LEU 97 3HD2 LEU 97 -7.638 0.962 1.180 645 H SER 98 H SER 98 -4.687 5.005 -2.198 646 HA SER 98 HA SER 98 -5.468 6.877 -0.115 647 1HB SER 98 1HB SER 98 -3.094 6.814 -0.403 648 2HB SER 98 2HB SER 98 -3.223 6.899 -2.170 649 HG SER 98 HG SER 98 -2.618 8.944 -1.148 650 H ASP 99 H ASP 99 -5.788 9.244 -1.031 651 HA ASP 99 HA ASP 99 -7.639 8.951 -3.238 652 1HB ASP 99 1HB ASP 99 -7.707 11.602 -2.231 653 2HB ASP 99 2HB ASP 99 -8.904 10.326 -1.959 654 HD2 ASP 99 HD2 ASP 99 -6.179 10.512 0.919 655 H ALA 100 H ALA 100 -7.662 10.857 -4.866 656 HA ALA 100 HA ALA 100 -4.916 11.485 -5.572 657 1HB ALA 100 1HB ALA 100 -7.221 12.371 -7.246 658 2HB ALA 100 2HB ALA 100 -5.692 11.597 -7.723 659 3HB ALA 100 3HB ALA 100 -7.014 10.616 -7.046 660 H ALA 101 H ALA 101 -6.520 12.732 -3.241 661 HA ALA 101 HA ALA 101 -6.466 15.510 -4.183 662 1HB ALA 101 1HB ALA 101 -8.552 14.383 -3.092 663 2HB ALA 101 2HB ALA 101 -7.644 14.548 -1.569 664 3HB ALA 101 3HB ALA 101 -8.054 15.995 -2.521 665 H GLY 102 H GLY 102 -5.209 13.159 -1.787 666 1HA GLY 102 1HA GLY 102 -2.966 13.359 -1.043 667 2HA GLY 102 2HA GLY 102 -3.089 15.104 -1.140 668 H ASN 103 H ASN 103 -5.144 12.503 0.372 669 HA ASN 103 HA ASN 103 -5.012 14.097 2.810 670 1HB ASN 103 1HB ASN 103 -7.131 12.009 2.148 671 2HB ASN 103 2HB ASN 103 -7.223 13.285 3.372 672 1HD2 ASN 103 1HD2 ASN 103 -6.882 15.549 2.439 673 2HD2 ASN 103 2HD2 ASN 103 -7.770 15.944 1.003 674 H GLY 104 H GLY 104 -4.358 12.998 4.733 675 1HA GLY 104 1HA GLY 104 -2.646 11.001 4.837 676 2HA GLY 104 2HA GLY 104 -3.861 11.218 6.081 677 HA PRO 105 HA PRO 105 -5.167 7.731 3.103 678 1HB PRO 105 1HB PRO 105 -3.141 6.442 1.799 679 2HB PRO 105 2HB PRO 105 -4.135 7.686 1.045 680 1HG PRO 105 1HG PRO 105 -1.379 7.835 2.088 681 2HG PRO 105 2HG PRO 105 -2.195 8.927 0.911 682 1HD PRO 105 1HD PRO 105 -1.618 9.402 3.677 683 2HD PRO 105 2HD PRO 105 -2.563 10.440 2.602 684 H GLU 106 H GLU 106 -5.807 5.900 4.083 685 HA GLU 106 HA GLU 106 -4.012 5.061 6.171 686 1HB GLU 106 1HB GLU 106 -6.870 5.102 5.747 687 2HB GLU 106 2HB GLU 106 -6.366 3.454 6.162 688 1HG GLU 106 1HG GLU 106 -5.708 5.987 7.726 689 2HG GLU 106 2HG GLU 106 -6.913 4.780 8.192 690 HE2 GLU 106 HE2 GLU 106 -3.514 4.175 9.652 691 H GLY 107 H GLY 107 -3.282 2.851 6.436 692 1HA GLY 107 1HA GLY 107 -3.795 0.956 4.305 693 2HA GLY 107 2HA GLY 107 -2.167 1.602 4.340 694 H VAL 108 H VAL 108 -2.606 -1.139 4.749 695 HA VAL 108 HA VAL 108 -2.470 -1.509 7.640 696 HB VAL 108 HB VAL 108 -4.006 -2.908 6.396 697 1HG1 VAL 108 1HG1 VAL 108 -3.502 -3.463 4.289 698 2HG1 VAL 108 2HG1 VAL 108 -1.776 -3.106 4.535 699 3HG1 VAL 108 3HG1 VAL 108 -2.422 -4.708 4.962 700 1HG2 VAL 108 1HG2 VAL 108 -1.796 -4.818 7.059 701 2HG2 VAL 108 2HG2 VAL 108 -2.420 -3.757 8.343 702 3HG2 VAL 108 3HG2 VAL 108 -3.520 -4.869 7.495 703 H ALA 109 H ALA 109 -0.565 -1.809 8.691 704 HA ALA 109 HA ALA 109 1.854 -1.474 7.298 705 1HB ALA 109 1HB ALA 109 1.551 -0.756 9.609 706 2HB ALA 109 2HB ALA 109 1.227 -2.428 10.120 707 3HB ALA 109 3HB ALA 109 2.846 -1.974 9.540 708 H ILE 110 H ILE 110 2.062 -3.050 5.656 709 HA ILE 110 HA ILE 110 1.753 -5.815 6.283 710 HB ILE 110 HB ILE 110 1.895 -4.193 3.980 711 1HG1 ILE 110 1HG1 ILE 110 1.033 -6.156 2.871 712 2HG1 ILE 110 2HG1 ILE 110 1.557 -7.195 4.206 713 1HG2 ILE 110 1HG2 ILE 110 3.518 -5.126 2.580 714 2HG2 ILE 110 2HG2 ILE 110 4.376 -4.836 4.111 715 3HG2 ILE 110 3HG2 ILE 110 3.837 -6.480 3.693 716 1HD1 ILE 110 1HD1 ILE 110 -0.837 -5.499 3.955 717 2HD1 ILE 110 2HD1 ILE 110 -0.520 -6.853 5.066 718 3HD1 ILE 110 3HD1 ILE 110 0.045 -5.216 5.474 719 H SER 111 H SER 111 3.479 -7.437 6.188 720 HA SER 111 HA SER 111 6.097 -7.017 5.977 721 1HB SER 111 1HB SER 111 5.159 -5.665 8.337 722 2HB SER 111 2HB SER 111 6.202 -7.007 8.842 723 HG SER 111 HG SER 111 7.004 -4.640 8.037 724 H PHE 112 H PHE 112 4.503 -8.202 9.017 725 HA PHE 112 HA PHE 112 4.346 -10.874 8.058 726 1HB PHE 112 1HB PHE 112 6.694 -11.005 8.487 727 2HB PHE 112 2HB PHE 112 6.611 -9.846 9.818 728 HD1 PHE 112 1HD PHE 112 5.649 -10.603 12.014 729 HD2 PHE 112 2HD PHE 112 6.543 -13.319 8.875 730 HE1 PHE 112 1HE PHE 112 5.622 -12.506 13.651 731 HE2 PHE 112 2HE PHE 112 6.515 -15.220 10.514 732 HZ PHE 112 HZ PHE 112 6.055 -14.791 12.882 733 H ASN 113 H ASN 113 3.561 -12.383 9.826 734 HA ASN 113 HA ASN 113 1.425 -11.345 11.090 735 1HB ASN 113 1HB ASN 113 2.770 -13.844 10.973 736 2HB ASN 113 2HB ASN 113 2.576 -13.510 12.701 737 1HD2 ASN 113 1HD2 ASN 113 1.300 -15.619 11.828 738 2HD2 ASN 113 2HD2 ASN 113 -0.405 -15.369 11.652 739 6H NCZ 130 6H NCZ 130 -0.382 13.358 -0.753 740 6H1 NCZ 130 6H1 NCZ 130 -1.131 10.559 -1.064 741 5H1 NCZ 130 5H1 NCZ 130 -2.481 11.863 0.798 742 4H1 NCZ 130 4H1 NCZ 130 -0.619 12.190 2.802 743 5H NCZ 130 5H NCZ 130 2.539 12.446 1.022 744 3H1 NCZ 130 3H1 NCZ 130 1.277 10.817 2.119 745 2H1 NCZ 130 2H1 NCZ 130 1.507 11.147 -0.687 746 2H NCZ 130 2H NCZ 130 -0.138 8.169 -3.729 747 8H NCZ 130 8H NCZ 130 -1.009 5.085 -3.500 748 7H NCZ 130 7H NCZ 130 -1.659 3.877 -1.445 749 3H NCZ 130 3H NCZ 130 -0.792 4.471 3.139 750 1H17 NCZ 130 1H17 NCZ 130 1.342 7.937 5.029 751 2H17 NCZ 130 2H17 NCZ 130 1.934 8.188 3.370 752 3H17 NCZ 130 3H17 NCZ 130 0.255 8.602 3.786 753 1H18 NCZ 130 1H18 NCZ 130 -1.640 2.810 0.038 754 2H18 NCZ 130 2H18 NCZ 130 -1.477 2.675 1.804 755 3H18 NCZ 130 3H18 NCZ 130 -2.829 3.594 1.105 756 1H NCZ 130 1H NCZ 130 1.164 7.756 1.305 Start of MODEL 29 1 H ALA 1 H ALA 1 -13.110 -9.259 10.133 2 HA ALA 1 HA ALA 1 -11.305 -9.451 11.475 3 1HB ALA 1 1HB ALA 1 -10.652 -10.769 9.611 4 2HB ALA 1 2HB ALA 1 -10.281 -9.334 8.623 5 3HB ALA 1 3HB ALA 1 -9.226 -9.772 9.990 6 H ALA 2 H ALA 2 -10.477 -6.945 8.970 7 HA ALA 2 HA ALA 2 -9.525 -5.273 11.186 8 1HB ALA 2 1HB ALA 2 -7.769 -4.500 9.412 9 2HB ALA 2 2HB ALA 2 -7.495 -6.031 10.280 10 3HB ALA 2 3HB ALA 2 -8.133 -6.050 8.617 11 HA PRO 3 HA PRO 3 -12.004 -2.301 9.255 12 1HB PRO 3 1HB PRO 3 -10.956 0.000 10.291 13 2HB PRO 3 2HB PRO 3 -12.089 -1.025 11.171 14 1HG PRO 3 1HG PRO 3 -9.168 -0.739 11.470 15 2HG PRO 3 2HG PRO 3 -10.358 -1.391 12.649 16 1HD PRO 3 1HD PRO 3 -8.494 -2.830 11.021 17 2HD PRO 3 2HD PRO 3 -9.752 -3.528 12.047 18 H THR 4 H THR 4 -12.113 -0.373 7.807 19 HA THR 4 HA THR 4 -11.538 0.314 5.747 20 HB THR 4 HB THR 4 -9.888 1.957 5.973 21 HG1 THR 4 1HG THR 4 -7.812 1.335 6.767 22 1HG2 THR 4 1HG2 THR 4 -9.726 2.702 8.214 23 2HG2 THR 4 2HG2 THR 4 -11.184 1.683 8.282 24 3HG2 THR 4 3HG2 THR 4 -9.624 1.045 8.855 25 H ALA 5 H ALA 5 -9.158 0.391 4.279 26 HA ALA 5 HA ALA 5 -9.160 -2.260 3.281 27 1HB ALA 5 1HB ALA 5 -8.860 -0.657 1.628 28 2HB ALA 5 2HB ALA 5 -7.800 0.347 2.644 29 3HB ALA 5 3HB ALA 5 -7.175 -1.154 1.918 30 H THR 6 H THR 6 -8.022 -3.970 4.038 31 HA THR 6 HA THR 6 -5.366 -3.461 5.144 32 HB THR 6 HB THR 6 -6.195 -5.220 6.984 33 HG1 THR 6 1HG THR 6 -8.363 -5.500 6.623 34 1HG2 THR 6 1HG2 THR 6 -5.713 -3.259 8.112 35 2HG2 THR 6 2HG2 THR 6 -6.442 -2.247 6.842 36 3HG2 THR 6 3HG2 THR 6 -7.477 -3.023 8.063 37 H VAL 7 H VAL 7 -3.903 -5.176 4.924 38 HA VAL 7 HA VAL 7 -4.725 -7.056 2.876 39 HB VAL 7 HB VAL 7 -2.145 -6.048 4.007 40 1HG1 VAL 7 1HG1 VAL 7 -2.619 -8.786 3.077 41 2HG1 VAL 7 2HG1 VAL 7 -1.357 -7.944 2.147 42 3HG1 VAL 7 3HG1 VAL 7 -1.213 -8.087 3.916 43 1HG2 VAL 7 1HG2 VAL 7 -1.752 -6.049 1.392 44 2HG2 VAL 7 2HG2 VAL 7 -3.529 -6.123 1.348 45 3HG2 VAL 7 3HG2 VAL 7 -2.715 -4.773 2.175 46 H THR 8 H THR 8 -5.654 -8.935 3.497 47 HA THR 8 HA THR 8 -5.750 -9.906 6.062 48 HB THR 8 HB THR 8 -6.213 -10.917 3.278 49 HG1 THR 8 1HG THR 8 -8.198 -11.527 4.639 50 1HG2 THR 8 1HG2 THR 8 -6.626 -13.200 3.970 51 2HG2 THR 8 2HG2 THR 8 -4.969 -12.828 4.504 52 3HG2 THR 8 3HG2 THR 8 -6.309 -12.807 5.679 53 HA PRO 9 HA PRO 9 -2.024 -12.629 5.336 54 1HB PRO 9 1HB PRO 9 -0.782 -12.749 2.906 55 2HB PRO 9 2HB PRO 9 -2.033 -13.886 3.406 56 1HG PRO 9 1HG PRO 9 -2.183 -11.591 1.558 57 2HG PRO 9 2HG PRO 9 -3.294 -13.002 1.687 58 1HD PRO 9 1HD PRO 9 -3.712 -10.317 2.593 59 2HD PRO 9 2HD PRO 9 -4.767 -11.707 2.885 60 H SER 10 H SER 10 -1.843 -10.335 6.477 61 HA SER 10 HA SER 10 0.357 -8.926 5.277 62 1HB SER 10 1HB SER 10 0.026 -7.452 7.375 63 2HB SER 10 2HB SER 10 -1.274 -7.460 6.171 64 HG SER 10 HG SER 10 -2.575 -8.592 7.532 65 H SER 11 H SER 11 0.714 -11.718 6.279 66 HA SER 11 HA SER 11 2.561 -11.142 8.462 67 1HB SER 11 1HB SER 11 0.901 -12.657 9.261 68 2HB SER 11 2HB SER 11 0.964 -13.639 7.786 69 HG SER 11 HG SER 11 2.093 -14.638 9.574 70 H GLY 12 H GLY 12 4.737 -11.675 8.175 71 1HA GLY 12 1HA GLY 12 6.568 -11.906 6.823 72 2HA GLY 12 2HA GLY 12 5.993 -13.561 6.828 73 H LEU 13 H LEU 13 4.878 -10.493 5.213 74 HA LEU 13 HA LEU 13 3.834 -11.592 2.975 75 1HB LEU 13 1HB LEU 13 3.916 -9.500 2.026 76 2HB LEU 13 2HB LEU 13 3.902 -9.175 3.770 77 HG LEU 13 HG LEU 13 6.455 -8.967 3.558 78 1HD1 LEU 13 1HD1 LEU 13 5.786 -9.605 0.829 79 2HD1 LEU 13 2HD1 LEU 13 6.558 -8.004 0.915 80 3HD1 LEU 13 3HD1 LEU 13 7.384 -9.425 1.595 81 1HD2 LEU 13 1HD2 LEU 13 5.149 -7.041 4.027 82 2HD2 LEU 13 2HD2 LEU 13 6.255 -6.606 2.702 83 3HD2 LEU 13 3HD2 LEU 13 4.544 -6.954 2.355 84 H SER 14 H SER 14 4.701 -11.643 0.689 85 HA SER 14 HA SER 14 7.514 -12.400 0.724 86 1HB SER 14 1HB SER 14 5.552 -14.251 0.550 87 2HB SER 14 2HB SER 14 5.685 -13.833 -1.168 88 HG SER 14 HG SER 14 8.071 -14.348 0.320 89 H ASP 15 H ASP 15 8.671 -11.974 -1.279 90 HA ASP 15 HA ASP 15 8.063 -9.647 -2.489 91 1HB ASP 15 1HB ASP 15 9.643 -12.068 -3.386 92 2HB ASP 15 2HB ASP 15 9.510 -10.661 -4.451 93 HD2 ASP 15 HD2 ASP 15 11.960 -10.553 -1.369 94 H GLY 16 H GLY 16 5.815 -9.550 -3.161 95 1HA GLY 16 1HA GLY 16 4.398 -9.536 -4.989 96 2HA GLY 16 2HA GLY 16 5.282 -10.866 -5.713 97 H THR 17 H THR 17 3.729 -10.421 -2.452 98 HA THR 17 HA THR 17 2.526 -13.059 -2.758 99 HB THR 17 HB THR 17 3.291 -11.188 -0.535 100 HG1 THR 17 1HG THR 17 3.020 -14.082 -0.962 101 1HG2 THR 17 1HG2 THR 17 0.739 -12.747 -0.595 102 2HG2 THR 17 2HG2 THR 17 1.792 -13.079 0.801 103 3HG2 THR 17 3HG2 THR 17 1.227 -11.420 0.487 104 H VAL 18 H VAL 18 0.475 -13.414 -3.334 105 HA VAL 18 HA VAL 18 -1.162 -11.178 -3.982 106 HB VAL 18 HB VAL 18 -2.189 -13.978 -3.825 107 1HG1 VAL 18 1HG1 VAL 18 -2.760 -11.493 -5.289 108 2HG1 VAL 18 2HG1 VAL 18 -2.733 -12.942 -6.323 109 3HG1 VAL 18 3HG1 VAL 18 -3.817 -12.877 -4.913 110 1HG2 VAL 18 1HG2 VAL 18 0.139 -13.070 -5.468 111 2HG2 VAL 18 2HG2 VAL 18 -0.211 -14.663 -4.758 112 3HG2 VAL 18 3HG2 VAL 18 -1.061 -14.142 -6.230 113 H VAL 19 H VAL 19 -1.967 -9.949 -2.336 114 HA VAL 19 HA VAL 19 -3.163 -11.421 -0.093 115 HB VAL 19 HB VAL 19 -2.673 -9.579 1.295 116 1HG1 VAL 19 1HG1 VAL 19 -0.142 -9.548 -0.294 117 2HG1 VAL 19 2HG1 VAL 19 -0.401 -9.798 1.449 118 3HG1 VAL 19 3HG1 VAL 19 -0.731 -11.117 0.301 119 1HG2 VAL 19 1HG2 VAL 19 -1.406 -7.557 0.213 120 2HG2 VAL 19 2HG2 VAL 19 -2.207 -8.098 -1.281 121 3HG2 VAL 19 3HG2 VAL 19 -3.181 -7.637 0.135 122 H LYS 20 H LYS 20 -5.054 -10.096 0.937 123 HA LYS 20 HA LYS 20 -6.654 -9.002 -1.274 124 1HB LYS 20 1HB LYS 20 -7.161 -11.343 -0.054 125 2HB LYS 20 2HB LYS 20 -8.043 -10.256 1.033 126 1HG LYS 20 1HG LYS 20 -9.027 -9.230 -1.147 127 2HG LYS 20 2HG LYS 20 -8.432 -10.696 -1.951 128 1HD LYS 20 1HD LYS 20 -10.307 -11.746 -1.282 129 2HD LYS 20 2HD LYS 20 -9.770 -11.580 0.399 130 1HE LYS 20 1HE LYS 20 -11.092 -9.694 0.768 131 2HE LYS 20 2HE LYS 20 -11.106 -9.225 -0.940 132 1HZ LYS 20 1HZ LYS 20 -12.318 -11.631 -0.894 133 2HZ LYS 20 2HZ LYS 20 -12.866 -10.935 0.478 134 3HZ LYS 20 3HZ LYS 20 -13.081 -10.188 -0.956 135 H VAL 21 H VAL 21 -6.977 -6.861 -1.055 136 HA VAL 21 HA VAL 21 -6.645 -5.697 1.584 137 HB VAL 21 HB VAL 21 -7.098 -4.387 -1.104 138 1HG1 VAL 21 1HG1 VAL 21 -7.285 -2.515 0.099 139 2HG1 VAL 21 2HG1 VAL 21 -6.893 -3.376 1.606 140 3HG1 VAL 21 3HG1 VAL 21 -5.585 -2.729 0.587 141 1HG2 VAL 21 1HG2 VAL 21 -4.390 -4.328 0.075 142 2HG2 VAL 21 2HG2 VAL 21 -4.929 -5.932 -0.480 143 3HG2 VAL 21 3HG2 VAL 21 -4.906 -4.559 -1.612 144 H ALA 22 H ALA 22 -8.494 -6.230 2.763 145 HA ALA 22 HA ALA 22 -11.075 -5.748 1.532 146 1HB ALA 22 1HB ALA 22 -10.275 -7.708 3.144 147 2HB ALA 22 2HB ALA 22 -10.695 -6.529 4.409 148 3HB ALA 22 3HB ALA 22 -11.929 -7.058 3.240 149 H GLY 23 H GLY 23 -12.000 -3.770 1.581 150 1HA GLY 23 1HA GLY 23 -11.033 -1.842 3.579 151 2HA GLY 23 2HA GLY 23 -11.868 -1.481 2.081 152 H ALA 24 H ALA 24 -12.216 -1.726 5.439 153 HA ALA 24 HA ALA 24 -15.080 -2.308 5.243 154 1HB ALA 24 1HB ALA 24 -14.085 -3.708 6.862 155 2HB ALA 24 2HB ALA 24 -13.032 -2.409 7.470 156 3HB ALA 24 3HB ALA 24 -14.777 -2.377 7.821 157 H GLY 25 H GLY 25 -16.154 -0.447 4.708 158 1HA GLY 25 1HA GLY 25 -16.993 1.625 4.954 159 2HA GLY 25 2HA GLY 25 -16.347 1.642 6.582 160 H LEU 26 H LEU 26 -14.376 1.169 3.616 161 HA LEU 26 HA LEU 26 -12.691 3.341 4.409 162 1HB LEU 26 1HB LEU 26 -11.842 1.235 3.505 163 2HB LEU 26 2HB LEU 26 -12.633 1.579 1.956 164 HG LEU 26 HG LEU 26 -11.143 3.337 1.468 165 1HD1 LEU 26 1HD1 LEU 26 -10.508 3.304 4.408 166 2HD1 LEU 26 2HD1 LEU 26 -9.370 4.007 3.233 167 3HD1 LEU 26 3HD1 LEU 26 -11.021 4.657 3.374 168 1HD2 LEU 26 1HD2 LEU 26 -8.857 2.058 2.435 169 2HD2 LEU 26 2HD2 LEU 26 -10.076 0.768 2.301 170 3HD2 LEU 26 3HD2 LEU 26 -9.680 1.768 0.883 171 H GLN 27 H GLN 27 -13.010 3.152 0.985 172 HA GLN 27 HA GLN 27 -13.453 5.764 0.611 173 1HB GLN 27 1HB GLN 27 -14.288 3.383 -1.072 174 2HB GLN 27 2HB GLN 27 -14.439 5.048 -1.660 175 1HG GLN 27 1HG GLN 27 -12.304 4.819 -2.372 176 2HG GLN 27 2HG GLN 27 -11.831 4.961 -0.673 177 1HE2 GLN 27 1HE2 GLN 27 -12.873 2.667 -3.166 178 2HE2 GLN 27 2HE2 GLN 27 -11.974 1.298 -2.605 179 H ALA 28 H ALA 28 -15.774 3.353 1.671 180 HA ALA 28 HA ALA 28 -17.892 3.490 2.293 181 1HB ALA 28 1HB ALA 28 -18.284 5.305 3.563 182 2HB ALA 28 2HB ALA 28 -16.764 5.984 2.935 183 3HB ALA 28 3HB ALA 28 -18.308 6.373 2.140 184 H GLY 29 H GLY 29 -16.984 3.485 -0.609 185 1HA GLY 29 1HA GLY 29 -18.739 2.966 -2.233 186 2HA GLY 29 2HA GLY 29 -19.521 4.466 -1.779 187 H THR 30 H THR 30 -16.418 5.398 -1.479 188 HA THR 30 HA THR 30 -16.381 6.546 -4.138 189 HB THR 30 HB THR 30 -14.218 6.990 -2.085 190 HG1 THR 30 1HG THR 30 -15.837 8.278 -0.901 191 1HG2 THR 30 1HG2 THR 30 -15.508 8.432 -4.297 192 2HG2 THR 30 2HG2 THR 30 -15.571 9.380 -2.792 193 3HG2 THR 30 3HG2 THR 30 -14.003 8.830 -3.434 194 H ALA 31 H ALA 31 -13.549 6.821 -4.433 195 HA ALA 31 HA ALA 31 -12.556 4.103 -4.594 196 1HB ALA 31 1HB ALA 31 -13.994 4.861 -6.705 197 2HB ALA 31 2HB ALA 31 -12.490 5.708 -7.132 198 3HB ALA 31 3HB ALA 31 -12.482 3.943 -6.901 199 H TYR 32 H TYR 32 -10.229 4.044 -4.989 200 HA TYR 32 HA TYR 32 -8.872 6.604 -5.054 201 1HB TYR 32 1HB TYR 32 -8.875 4.531 -2.791 202 2HB TYR 32 2HB TYR 32 -7.560 5.700 -2.957 203 HD1 TYR 32 1HD TYR 32 -9.282 8.077 -3.823 204 HD2 TYR 32 2HD TYR 32 -9.735 5.204 -0.684 205 HE1 TYR 32 1HE TYR 32 -10.629 9.755 -2.470 206 HE2 TYR 32 2HE TYR 32 -11.080 6.893 0.659 207 HH TYR 32 HH TYR 32 -11.280 9.327 0.801 208 H ASP 33 H ASP 33 -6.303 5.791 -4.426 209 HA ASP 33 HA ASP 33 -5.888 3.793 -6.501 210 1HB ASP 33 1HB ASP 33 -4.714 6.348 -5.943 211 2HB ASP 33 2HB ASP 33 -3.451 5.133 -5.691 212 HD2 ASP 33 HD2 ASP 33 -3.010 4.748 -9.057 213 H VAL 34 H VAL 34 -5.582 1.779 -5.515 214 HA VAL 34 HA VAL 34 -4.554 1.600 -2.854 215 HB VAL 34 HB VAL 34 -6.010 -0.006 -4.705 216 1HG1 VAL 34 1HG1 VAL 34 -4.958 -2.174 -4.472 217 2HG1 VAL 34 2HG1 VAL 34 -3.801 -1.045 -5.215 218 3HG1 VAL 34 3HG1 VAL 34 -3.645 -1.480 -3.495 219 1HG2 VAL 34 1HG2 VAL 34 -5.281 -0.236 -1.775 220 2HG2 VAL 34 2HG2 VAL 34 -6.811 0.313 -2.501 221 3HG2 VAL 34 3HG2 VAL 34 -6.350 -1.402 -2.594 222 H GLY 35 H GLY 35 -2.520 0.878 -2.171 223 1HA GLY 35 1HA GLY 35 -0.561 -0.259 -3.786 224 2HA GLY 35 2HA GLY 35 -0.341 1.477 -3.871 225 H GLN 36 H GLN 36 1.511 -0.429 -2.663 226 HA GLN 36 HA GLN 36 1.136 0.005 0.167 227 1HB GLN 36 1HB GLN 36 3.569 -1.356 -0.939 228 2HB GLN 36 2HB GLN 36 2.624 -1.746 0.510 229 1HG GLN 36 1HG GLN 36 1.452 -3.282 -0.647 230 2HG GLN 36 2HG GLN 36 0.938 -2.058 -1.817 231 1HE2 GLN 36 1HE2 GLN 36 3.157 -1.298 -3.062 232 2HE2 GLN 36 2HE2 GLN 36 3.927 -2.601 -3.904 233 H CYS 37 H CYS 37 1.581 2.186 0.577 234 HA CYS 37 HA CYS 37 4.149 3.164 -0.418 235 1HB CYS 37 1HB CYS 37 1.922 4.375 -0.860 236 2HB CYS 37 2HB CYS 37 2.010 4.872 0.831 237 H ALA 38 H ALA 38 5.487 4.425 1.176 238 HA ALA 38 HA ALA 38 4.970 4.609 3.862 239 1HB ALA 38 1HB ALA 38 6.648 2.601 4.464 240 2HB ALA 38 2HB ALA 38 4.887 2.365 4.361 241 3HB ALA 38 3HB ALA 38 5.927 1.909 2.990 242 H TRP 39 H TRP 39 7.041 5.072 5.122 243 HA TRP 39 HA TRP 39 8.722 6.664 3.476 244 1HB TRP 39 1HB TRP 39 9.980 6.907 5.695 245 2HB TRP 39 2HB TRP 39 8.350 7.568 5.561 246 HD1 TRP 39 HD TRP 39 10.156 4.484 7.106 247 HE1 TRP 39 1HE TRP 39 8.804 3.548 9.167 248 HE3 TRP 39 3HE TRP 39 6.169 7.595 6.572 249 HZ2 TRP 39 2HZ TRP 39 6.275 4.198 10.319 250 HZ3 TRP 39 3HZ TRP 39 4.301 7.379 8.207 251 HH2 TRP 39 HH TRP 39 4.309 5.753 10.032 252 H VAL 40 H VAL 40 10.369 5.873 2.242 253 HA VAL 40 HA VAL 40 11.526 3.306 3.037 254 HB VAL 40 HB VAL 40 10.487 3.669 0.768 255 1HG1 VAL 40 1HG1 VAL 40 11.746 4.881 -0.922 256 2HG1 VAL 40 2HG1 VAL 40 11.337 5.976 0.420 257 3HG1 VAL 40 3HG1 VAL 40 12.987 5.322 0.275 258 1HG2 VAL 40 1HG2 VAL 40 13.420 2.882 0.855 259 2HG2 VAL 40 2HG2 VAL 40 12.035 1.825 1.228 260 3HG2 VAL 40 3HG2 VAL 40 12.259 2.450 -0.424 261 H ASP 41 H ASP 41 12.407 6.658 1.972 262 HA ASP 41 HA ASP 41 15.133 6.169 2.622 263 1HB ASP 41 1HB ASP 41 13.695 8.009 1.055 264 2HB ASP 41 2HB ASP 41 14.345 8.994 2.375 265 HD2 ASP 41 HD2 ASP 41 16.727 8.786 -0.402 266 H THR 42 H THR 42 15.682 8.849 3.761 267 HA THR 42 HA THR 42 15.008 8.280 6.502 268 HB THR 42 HB THR 42 16.642 10.454 5.095 269 HG1 THR 42 1HG THR 42 17.280 8.154 6.799 270 1HG2 THR 42 1HG2 THR 42 16.239 9.781 8.051 271 2HG2 THR 42 2HG2 THR 42 17.678 10.638 7.452 272 3HG2 THR 42 3HG2 THR 42 16.066 11.371 7.269 273 H GLY 43 H GLY 43 12.745 8.482 6.640 274 1HA GLY 43 1HA GLY 43 10.889 9.636 7.183 275 2HA GLY 43 2HA GLY 43 11.852 11.099 7.253 276 H VAL 44 H VAL 44 11.939 9.164 4.297 277 HA VAL 44 HA VAL 44 10.379 11.273 2.986 278 HB VAL 44 HB VAL 44 12.276 9.332 1.678 279 1HG1 VAL 44 1HG1 VAL 44 12.329 10.912 -0.119 280 2HG1 VAL 44 2HG1 VAL 44 10.619 10.644 0.300 281 3HG1 VAL 44 3HG1 VAL 44 11.446 12.126 0.839 282 1HG2 VAL 44 1HG2 VAL 44 14.062 10.953 1.874 283 2HG2 VAL 44 2HG2 VAL 44 12.991 12.088 2.729 284 3HG2 VAL 44 3HG2 VAL 44 13.459 10.553 3.500 285 H LEU 45 H LEU 45 8.293 10.704 2.656 286 HA LEU 45 HA LEU 45 7.510 7.974 2.674 287 1HB LEU 45 1HB LEU 45 6.240 10.626 2.517 288 2HB LEU 45 2HB LEU 45 5.339 9.297 1.766 289 HG LEU 45 HG LEU 45 6.393 9.022 4.567 290 1HD1 LEU 45 1HD1 LEU 45 5.257 11.184 4.549 291 2HD1 LEU 45 2HD1 LEU 45 3.816 10.432 3.822 292 3HD1 LEU 45 3HD1 LEU 45 4.327 9.974 5.466 293 1HD2 LEU 45 1HD2 LEU 45 3.969 7.831 4.525 294 2HD2 LEU 45 2HD2 LEU 45 4.435 7.655 2.817 295 3HD2 LEU 45 3HD2 LEU 45 5.490 7.010 4.098 296 H ALA 46 H ALA 46 7.980 6.604 1.039 297 HA ALA 46 HA ALA 46 7.604 7.653 -1.682 298 1HB ALA 46 1HB ALA 46 9.502 6.340 -2.406 299 2HB ALA 46 2HB ALA 46 10.019 7.334 -1.023 300 3HB ALA 46 3HB ALA 46 9.670 5.604 -0.795 301 H CYS 47 H CYS 47 6.591 6.234 -3.169 302 HA CYS 47 HA CYS 47 5.333 3.940 -1.855 303 1HB CYS 47 1HB CYS 47 4.305 5.243 -4.356 304 2HB CYS 47 2HB CYS 47 3.446 4.215 -3.202 305 H ASN 48 H ASN 48 5.159 1.947 -3.150 306 HA ASN 48 HA ASN 48 7.492 1.550 -4.697 307 1HB ASN 48 1HB ASN 48 5.220 -0.436 -4.675 308 2HB ASN 48 2HB ASN 48 6.960 -0.741 -4.546 309 1HD2 ASN 48 1HD2 ASN 48 7.428 1.296 -2.565 310 2HD2 ASN 48 2HD2 ASN 48 6.797 0.733 -1.053 311 HA PRO 49 HA PRO 49 5.653 1.800 -8.677 312 1HB PRO 49 1HB PRO 49 6.604 -0.351 -10.067 313 2HB PRO 49 2HB PRO 49 7.554 1.105 -9.776 314 1HG PRO 49 1HG PRO 49 7.696 -1.542 -8.481 315 2HG PRO 49 2HG PRO 49 8.946 -0.249 -8.531 316 1HD PRO 49 1HD PRO 49 7.239 -0.994 -6.355 317 2HD PRO 49 2HD PRO 49 8.339 0.389 -6.408 318 H ALA 50 H ALA 50 4.841 -0.808 -6.738 319 HA ALA 50 HA ALA 50 2.659 -1.514 -8.570 320 1HB ALA 50 1HB ALA 50 2.491 -3.516 -6.975 321 2HB ALA 50 2HB ALA 50 3.944 -3.438 -8.001 322 3HB ALA 50 3HB ALA 50 4.038 -2.965 -6.288 323 H ASP 51 H ASP 51 3.079 0.876 -6.578 324 HA ASP 51 HA ASP 51 1.020 0.321 -4.672 325 1HB ASP 51 1HB ASP 51 2.693 1.702 -3.786 326 2HB ASP 51 2HB ASP 51 2.872 2.630 -5.284 327 HD2 ASP 51 HD2 ASP 51 0.239 3.790 -2.570 328 H PHE 52 H PHE 52 0.923 0.796 -7.893 329 HA PHE 52 HA PHE 52 -1.243 2.770 -7.814 330 1HB PHE 52 1HB PHE 52 -0.010 1.678 -10.348 331 2HB PHE 52 2HB PHE 52 -0.527 3.331 -10.006 332 HD1 PHE 52 1HD PHE 52 2.207 1.653 -10.923 333 HD2 PHE 52 2HD PHE 52 0.970 4.150 -7.723 334 HE1 PHE 52 1HE PHE 52 4.596 2.301 -10.502 335 HE2 PHE 52 2HE PHE 52 3.359 4.797 -7.304 336 HZ PHE 52 HZ PHE 52 5.144 3.865 -8.698 337 H SER 53 H SER 53 -3.032 1.480 -7.266 338 HA SER 53 HA SER 53 -3.873 -0.249 -9.398 339 1HB SER 53 1HB SER 53 -2.760 -1.308 -6.970 340 2HB SER 53 2HB SER 53 -4.494 -1.676 -6.982 341 HG SER 53 HG SER 53 -4.157 -2.564 -9.165 342 H SER 54 H SER 54 -5.446 1.476 -9.684 343 HA SER 54 HA SER 54 -6.924 2.716 -7.874 344 1HB SER 54 1HB SER 54 -8.816 2.645 -9.602 345 2HB SER 54 2HB SER 54 -7.249 3.242 -10.178 346 HG SER 54 HG SER 54 -7.871 1.789 -11.732 347 H VAL 55 H VAL 55 -8.546 2.255 -6.388 348 HA VAL 55 HA VAL 55 -9.722 -0.432 -6.540 349 HB VAL 55 HB VAL 55 -7.920 -0.310 -4.853 350 1HG1 VAL 55 1HG1 VAL 55 -9.535 2.034 -3.924 351 2HG1 VAL 55 2HG1 VAL 55 -8.727 1.024 -2.702 352 3HG1 VAL 55 3HG1 VAL 55 -7.769 1.806 -3.980 353 1HG2 VAL 55 1HG2 VAL 55 -10.536 -0.514 -3.369 354 2HG2 VAL 55 2HG2 VAL 55 -10.127 -1.674 -4.656 355 3HG2 VAL 55 3HG2 VAL 55 -9.073 -1.518 -3.228 356 H THR 56 H THR 56 -11.833 -0.565 -5.302 357 HA THR 56 HA THR 56 -13.143 2.003 -4.920 358 HB THR 56 HB THR 56 -13.654 0.066 -7.180 359 HG1 THR 56 1HG THR 56 -14.227 2.901 -6.734 360 1HG2 THR 56 1HG2 THR 56 -15.778 1.620 -5.627 361 2HG2 THR 56 2HG2 THR 56 -15.968 1.228 -7.354 362 3HG2 THR 56 3HG2 THR 56 -15.838 -0.079 -6.153 363 H ALA 57 H ALA 57 -14.607 1.981 -3.291 364 HA ALA 57 HA ALA 57 -15.054 -0.654 -2.076 365 1HB ALA 57 1HB ALA 57 -14.944 0.373 -0.013 366 2HB ALA 57 2HB ALA 57 -13.877 1.459 -0.937 367 3HB ALA 57 3HB ALA 57 -15.569 1.922 -0.628 368 H ASP 58 H ASP 58 -17.133 -1.416 -1.774 369 HA ASP 58 HA ASP 58 -19.113 -0.405 -3.387 370 1HB ASP 58 1HB ASP 58 -19.692 -1.960 -0.850 371 2HB ASP 58 2HB ASP 58 -20.522 -2.067 -2.410 372 HD2 ASP 58 HD2 ASP 58 -18.477 -4.992 -2.153 373 H ALA 59 H ALA 59 -21.337 0.421 -2.576 374 HA ALA 59 HA ALA 59 -21.246 2.795 -1.375 375 1HB ALA 59 1HB ALA 59 -23.236 0.871 -2.076 376 2HB ALA 59 2HB ALA 59 -23.638 1.487 -0.455 377 3HB ALA 59 3HB ALA 59 -23.441 2.620 -1.815 378 H ASN 60 H ASN 60 -21.182 -0.395 0.240 379 HA ASN 60 HA ASN 60 -21.383 0.854 2.811 380 1HB ASN 60 1HB ASN 60 -21.992 -1.671 1.809 381 2HB ASN 60 2HB ASN 60 -20.491 -1.982 2.696 382 1HD2 ASN 60 1HD2 ASN 60 -22.536 -3.250 3.648 383 2HD2 ASN 60 2HD2 ASN 60 -23.196 -2.545 5.087 384 H GLY 61 H GLY 61 -19.145 1.735 1.180 385 1HA GLY 61 1HA GLY 61 -16.887 1.859 1.099 386 2HA GLY 61 2HA GLY 61 -17.026 1.782 2.844 387 H SER 62 H SER 62 -17.883 -0.848 0.534 388 HA SER 62 HA SER 62 -15.986 -2.509 1.941 389 1HB SER 62 1HB SER 62 -17.791 -3.562 -0.217 390 2HB SER 62 2HB SER 62 -17.281 -4.337 1.295 391 HG SER 62 HG SER 62 -19.596 -3.531 1.089 392 H ALA 63 H ALA 63 -13.956 -1.944 1.041 393 HA ALA 63 HA ALA 63 -13.746 -2.206 -1.874 394 1HB ALA 63 1HB ALA 63 -12.245 -0.508 -1.807 395 2HB ALA 63 2HB ALA 63 -12.920 -0.180 -0.193 396 3HB ALA 63 3HB ALA 63 -11.438 -1.154 -0.357 397 H SER 64 H SER 64 -13.875 -4.588 -1.652 398 HA SER 64 HA SER 64 -11.594 -5.745 -0.305 399 1HB SER 64 1HB SER 64 -12.816 -7.920 -1.121 400 2HB SER 64 2HB SER 64 -13.508 -6.990 0.221 401 HG SER 64 HG SER 64 -15.165 -6.330 -1.045 402 H THR 65 H THR 65 -10.060 -4.782 -1.920 403 HA THR 65 HA THR 65 -10.140 -6.217 -4.493 404 HB THR 65 HB THR 65 -9.150 -3.478 -3.608 405 HG1 THR 65 1HG THR 65 -10.379 -3.252 -5.818 406 1HG2 THR 65 1HG2 THR 65 -8.546 -4.875 -6.266 407 2HG2 THR 65 2HG2 THR 65 -8.121 -3.203 -5.832 408 3HG2 THR 65 3HG2 THR 65 -7.329 -4.567 -5.005 409 H SER 66 H SER 66 -8.572 -7.632 -5.016 410 HA SER 66 HA SER 66 -6.556 -8.022 -2.982 411 1HB SER 66 1HB SER 66 -6.258 -10.212 -3.895 412 2HB SER 66 2HB SER 66 -8.007 -9.924 -3.868 413 HG SER 66 HG SER 66 -7.724 -10.664 -5.906 414 H LEU 67 H LEU 67 -4.288 -7.991 -3.447 415 HA LEU 67 HA LEU 67 -3.493 -7.336 -6.157 416 1HB LEU 67 1HB LEU 67 -3.878 -5.345 -4.192 417 2HB LEU 67 2HB LEU 67 -2.129 -5.526 -4.419 418 HG LEU 67 HG LEU 67 -2.834 -5.396 -6.983 419 1HD1 LEU 67 1HD1 LEU 67 -4.651 -3.647 -7.205 420 2HD1 LEU 67 2HD1 LEU 67 -5.189 -5.290 -6.777 421 3HD1 LEU 67 3HD1 LEU 67 -5.100 -4.028 -5.525 422 1HD2 LEU 67 1HD2 LEU 67 -2.806 -2.786 -5.506 423 2HD2 LEU 67 2HD2 LEU 67 -1.384 -3.855 -5.445 424 3HD2 LEU 67 3HD2 LEU 67 -1.981 -3.256 -7.012 425 H THR 68 H THR 68 -0.870 -6.953 -5.960 426 HA THR 68 HA THR 68 0.032 -9.314 -4.457 427 HB THR 68 HB THR 68 1.072 -7.909 -6.971 428 HG1 THR 68 1HG THR 68 -0.653 -9.287 -7.477 429 1HG2 THR 68 1HG2 THR 68 3.069 -8.933 -6.461 430 2HG2 THR 68 2HG2 THR 68 2.340 -9.855 -5.125 431 3HG2 THR 68 3HG2 THR 68 2.212 -10.456 -6.794 432 H VAL 69 H VAL 69 1.435 -9.138 -2.809 433 HA VAL 69 HA VAL 69 2.274 -6.453 -2.123 434 HB VAL 69 HB VAL 69 2.165 -9.116 -0.741 435 1HG1 VAL 69 1HG1 VAL 69 3.832 -6.722 0.027 436 2HG1 VAL 69 2HG1 VAL 69 3.151 -7.800 1.271 437 3HG1 VAL 69 3HG1 VAL 69 4.262 -8.448 0.039 438 1HG2 VAL 69 1HG2 VAL 69 0.660 -8.062 0.736 439 2HG2 VAL 69 2HG2 VAL 69 1.156 -6.433 0.222 440 3HG2 VAL 69 3HG2 VAL 69 0.208 -7.462 -0.878 441 H ARG 70 H ARG 70 3.883 -5.950 -3.663 442 HA ARG 70 HA ARG 70 6.040 -7.821 -3.931 443 1HB ARG 70 1HB ARG 70 5.386 -5.139 -5.207 444 2HB ARG 70 2HB ARG 70 6.926 -5.961 -5.514 445 1HG ARG 70 1HG ARG 70 4.537 -7.687 -5.806 446 2HG ARG 70 2HG ARG 70 4.591 -6.340 -6.959 447 1HD ARG 70 1HD ARG 70 6.716 -7.056 -7.822 448 2HD ARG 70 2HD ARG 70 6.972 -8.184 -6.482 449 HE ARG 70 HE ARG 70 4.668 -9.148 -7.580 450 1HH1 ARG 70 1HH1 ARG 70 7.718 -8.190 -9.052 451 2HH1 ARG 70 2HH1 ARG 70 7.576 -9.302 -10.374 452 1HH2 ARG 70 1HH2 ARG 70 4.481 -10.616 -9.322 453 2HH2 ARG 70 2HH2 ARG 70 5.723 -10.692 -10.527 454 H ARG 71 H ARG 71 7.808 -7.760 -2.579 455 HA ARG 71 HA ARG 71 8.108 -5.458 -0.907 456 1HB ARG 71 1HB ARG 71 8.325 -7.666 0.114 457 2HB ARG 71 2HB ARG 71 9.592 -8.130 -1.037 458 1HG ARG 71 1HG ARG 71 10.625 -5.811 0.028 459 2HG ARG 71 2HG ARG 71 9.756 -6.470 1.425 460 1HD ARG 71 1HD ARG 71 12.171 -7.214 1.221 461 2HD ARG 71 2HD ARG 71 11.009 -8.548 1.306 462 HE ARG 71 HE ARG 71 11.431 -7.863 -1.438 463 1HH1 ARG 71 1HH1 ARG 71 13.151 -9.321 1.263 464 2HH1 ARG 71 2HH1 ARG 71 14.175 -10.288 0.256 465 1HH2 ARG 71 1HH2 ARG 71 12.781 -9.140 -2.768 466 2HH2 ARG 71 2HH2 ARG 71 13.962 -10.185 -2.053 467 H SER 72 H SER 72 9.663 -7.055 -3.688 468 HA SER 72 HA SER 72 11.840 -5.138 -3.524 469 1HB SER 72 1HB SER 72 12.947 -6.585 -5.219 470 2HB SER 72 2HB SER 72 12.543 -7.473 -3.740 471 HG SER 72 HG SER 72 10.430 -7.662 -5.414 472 H PHE 73 H PHE 73 11.760 -3.347 -4.832 473 HA PHE 73 HA PHE 73 11.263 -3.268 -7.473 474 1HB PHE 73 1HB PHE 73 8.853 -3.748 -5.904 475 2HB PHE 73 2HB PHE 73 8.724 -2.139 -6.624 476 HD1 PHE 73 1HD PHE 73 7.124 -4.782 -7.154 477 HD2 PHE 73 2HD PHE 73 10.317 -2.833 -9.159 478 HE1 PHE 73 1HE PHE 73 6.402 -5.826 -9.318 479 HE2 PHE 73 2HE PHE 73 9.591 -3.878 -11.325 480 HZ PHE 73 HZ PHE 73 7.645 -5.363 -11.379 481 H GLU 74 H GLU 74 11.990 -1.287 -8.118 482 HA GLU 74 HA GLU 74 12.428 0.660 -6.115 483 1HB GLU 74 1HB GLU 74 14.075 0.342 -7.854 484 2HB GLU 74 2HB GLU 74 12.887 0.663 -9.128 485 1HG GLU 74 1HG GLU 74 13.291 2.874 -8.986 486 2HG GLU 74 2HG GLU 74 12.907 2.877 -7.259 487 HE2 GLU 74 HE2 GLU 74 16.244 2.957 -6.384 488 H GLY 75 H GLY 75 10.922 2.103 -5.404 489 1HA GLY 75 1HA GLY 75 8.666 2.737 -7.179 490 2HA GLY 75 2HA GLY 75 8.722 2.925 -5.437 491 H PHE 76 H PHE 76 8.029 5.156 -5.616 492 HA PHE 76 HA PHE 76 10.215 6.903 -6.502 493 1HB PHE 76 1HB PHE 76 7.174 7.027 -6.828 494 2HB PHE 76 2HB PHE 76 8.154 8.489 -6.983 495 HD1 PHE 76 1HD PHE 76 7.184 5.334 -8.531 496 HD2 PHE 76 2HD PHE 76 9.673 8.753 -8.881 497 HE1 PHE 76 1HE PHE 76 7.592 4.789 -10.946 498 HE2 PHE 76 2HE PHE 76 10.081 8.208 -11.297 499 HZ PHE 76 HZ PHE 76 9.036 6.232 -12.300 500 H LEU 77 H LEU 77 10.579 8.791 -5.234 501 HA LEU 77 HA LEU 77 9.541 8.536 -2.541 502 1HB LEU 77 1HB LEU 77 11.787 10.029 -3.840 503 2HB LEU 77 2HB LEU 77 11.233 10.464 -2.213 504 HG LEU 77 HG LEU 77 11.880 7.602 -2.747 505 1HD1 LEU 77 1HD1 LEU 77 13.775 8.435 -3.824 506 2HD1 LEU 77 2HD1 LEU 77 13.921 9.816 -2.710 507 3HD1 LEU 77 3HD1 LEU 77 14.315 8.173 -2.149 508 1HD2 LEU 77 1HD2 LEU 77 11.118 8.937 -0.532 509 2HD2 LEU 77 2HD2 LEU 77 12.107 7.458 -0.506 510 3HD2 LEU 77 3HD2 LEU 77 12.886 9.052 -0.368 511 H PHE 78 H PHE 78 9.316 10.967 -1.493 512 HA PHE 78 HA PHE 78 6.927 11.927 -2.674 513 1HB PHE 78 1HB PHE 78 7.419 11.913 -0.228 514 2HB PHE 78 2HB PHE 78 8.835 12.938 -0.482 515 HD1 PHE 78 1HD PHE 78 8.578 15.316 -0.870 516 HD2 PHE 78 2HD PHE 78 5.181 12.834 -0.311 517 HE1 PHE 78 1HE PHE 78 7.151 17.351 -0.505 518 HE2 PHE 78 2HE PHE 78 3.754 14.868 0.051 519 HZ PHE 78 HZ PHE 78 4.757 17.101 -0.052 520 H ASP 79 H ASP 79 10.335 12.693 -3.029 521 HA ASP 79 HA ASP 79 9.957 15.366 -3.807 522 1HB ASP 79 1HB ASP 79 12.144 14.892 -3.134 523 2HB ASP 79 2HB ASP 79 12.177 13.328 -3.966 524 HD2 ASP 79 HD2 ASP 79 14.022 14.804 -6.422 525 H GLY 80 H GLY 80 10.944 12.371 -5.656 526 1HA GLY 80 1HA GLY 80 9.126 12.409 -7.673 527 2HA GLY 80 2HA GLY 80 10.318 13.582 -8.189 528 H THR 81 H THR 81 12.485 12.062 -6.598 529 HA THR 81 HA THR 81 13.563 10.621 -8.688 530 HB THR 81 HB THR 81 14.892 11.446 -6.805 531 HG1 THR 81 1HG THR 81 15.749 9.510 -7.676 532 1HG2 THR 81 1HG2 THR 81 14.697 10.013 -4.615 533 2HG2 THR 81 2HG2 THR 81 13.507 11.313 -4.858 534 3HG2 THR 81 3HG2 THR 81 13.060 9.623 -5.193 535 H ARG 82 H ARG 82 13.960 8.319 -8.974 536 HA ARG 82 HA ARG 82 11.527 6.898 -8.360 537 1HB ARG 82 1HB ARG 82 12.625 7.059 -10.709 538 2HB ARG 82 2HB ARG 82 13.813 5.889 -10.106 539 1HG ARG 82 1HG ARG 82 11.988 4.306 -9.591 540 2HG ARG 82 2HG ARG 82 10.783 5.478 -10.155 541 1HD ARG 82 1HD ARG 82 11.096 4.843 -12.301 542 2HD ARG 82 2HD ARG 82 12.848 5.071 -12.181 543 HE ARG 82 HE ARG 82 12.067 2.657 -10.822 544 1HH1 ARG 82 1HH1 ARG 82 12.465 3.973 -14.060 545 2HH1 ARG 82 2HH1 ARG 82 12.780 2.432 -14.787 546 1HH2 ARG 82 1HH2 ARG 82 12.484 0.623 -11.779 547 2HH2 ARG 82 2HH2 ARG 82 12.791 0.515 -13.479 548 H TRP 83 H TRP 83 12.107 6.583 -6.042 549 HA TRP 83 HA TRP 83 14.225 4.570 -5.700 550 1HB TRP 83 1HB TRP 83 14.717 6.667 -4.582 551 2HB TRP 83 2HB TRP 83 13.171 6.609 -3.732 552 HD1 TRP 83 HD TRP 83 13.003 4.036 -2.232 553 HE1 TRP 83 1HE TRP 83 14.767 3.050 -0.536 554 HE3 TRP 83 3HE TRP 83 16.963 6.703 -3.984 555 HZ2 TRP 83 2HZ TRP 83 17.557 3.485 -0.126 556 HZ3 TRP 83 3HZ TRP 83 19.171 6.364 -2.880 557 HH2 TRP 83 HH TRP 83 19.505 4.818 -1.015 558 H GLY 84 H GLY 84 11.558 5.603 -3.509 559 1HA GLY 84 1HA GLY 84 9.935 4.415 -2.502 560 2HA GLY 84 2HA GLY 84 9.636 3.730 -4.087 561 H THR 85 H THR 85 9.586 2.540 -1.264 562 HA THR 85 HA THR 85 10.891 0.929 -0.108 563 HB THR 85 HB THR 85 9.043 -0.037 -2.314 564 HG1 THR 85 1HG THR 85 9.207 -0.034 0.618 565 1HG2 THR 85 1HG2 THR 85 9.229 -2.158 -0.532 566 2HG2 THR 85 2HG2 THR 85 9.979 -2.138 -2.147 567 3HG2 THR 85 3HG2 THR 85 10.937 -1.692 -0.715 568 H VAL 86 H VAL 86 10.986 -0.501 -3.405 569 HA VAL 86 HA VAL 86 12.728 -1.022 -4.701 570 HB VAL 86 HB VAL 86 13.784 1.057 -3.174 571 1HG1 VAL 86 1HG1 VAL 86 15.644 -1.343 -3.125 572 2HG1 VAL 86 2HG1 VAL 86 16.152 0.336 -2.822 573 3HG1 VAL 86 3HG1 VAL 86 14.990 -0.452 -1.728 574 1HG2 VAL 86 1HG2 VAL 86 14.128 1.370 -5.394 575 2HG2 VAL 86 2HG2 VAL 86 15.715 0.653 -5.030 576 3HG2 VAL 86 3HG2 VAL 86 14.416 -0.358 -5.707 577 H ASP 87 H ASP 87 13.404 -1.440 -1.160 578 HA ASP 87 HA ASP 87 13.486 -4.271 -1.635 579 1HB ASP 87 1HB ASP 87 15.866 -3.158 -1.815 580 2HB ASP 87 2HB ASP 87 15.755 -3.031 -0.053 581 HD2 ASP 87 HD2 ASP 87 15.771 -6.768 -1.417 582 H CYS 88 H CYS 88 11.476 -4.015 -0.315 583 HA CYS 88 HA CYS 88 11.575 -2.798 2.222 584 1HB CYS 88 1HB CYS 88 9.628 -4.065 0.534 585 2HB CYS 88 2HB CYS 88 9.472 -4.681 2.182 586 H THR 89 H THR 89 13.803 -4.101 2.535 587 HA THR 89 HA THR 89 13.273 -6.780 3.577 588 HB THR 89 HB THR 89 15.180 -6.172 1.925 589 HG1 THR 89 1HG THR 89 16.416 -7.748 3.079 590 1HG2 THR 89 1HG2 THR 89 16.084 -4.142 2.969 591 2HG2 THR 89 2HG2 THR 89 16.237 -4.972 4.536 592 3HG2 THR 89 3HG2 THR 89 17.282 -5.442 3.174 593 H THR 90 H THR 90 13.160 -3.604 4.667 594 HA THR 90 HA THR 90 13.296 -4.533 7.404 595 HB THR 90 HB THR 90 15.247 -2.528 6.181 596 HG1 THR 90 1HG THR 90 16.653 -4.116 6.996 597 1HG2 THR 90 1HG2 THR 90 15.991 -2.091 8.530 598 2HG2 THR 90 2HG2 THR 90 14.335 -1.495 8.266 599 3HG2 THR 90 3HG2 THR 90 14.602 -3.024 9.135 600 H ALA 91 H ALA 91 12.863 -1.792 5.102 601 HA ALA 91 HA ALA 91 11.358 -0.233 6.888 602 1HB ALA 91 1HB ALA 91 10.533 0.646 4.489 603 2HB ALA 91 2HB ALA 91 12.159 1.006 5.122 604 3HB ALA 91 3HB ALA 91 11.931 -0.315 3.949 605 H ALA 92 H ALA 92 9.152 -0.117 7.312 606 HA ALA 92 HA ALA 92 7.659 -2.475 6.566 607 1HB ALA 92 1HB ALA 92 7.439 -0.246 8.560 608 2HB ALA 92 2HB ALA 92 5.944 -1.083 8.076 609 3HB ALA 92 3HB ALA 92 7.288 -2.003 8.793 610 H CYS 93 H CYS 93 6.447 -2.564 4.748 611 HA CYS 93 HA CYS 93 5.802 -0.065 3.442 612 1HB CYS 93 1HB CYS 93 4.822 -2.463 2.141 613 2HB CYS 93 2HB CYS 93 5.898 -1.198 1.537 614 H GLN 94 H GLN 94 3.746 0.829 3.487 615 HA GLN 94 HA GLN 94 1.753 -0.726 4.916 616 1HB GLN 94 1HB GLN 94 2.011 2.248 4.355 617 2HB GLN 94 2HB GLN 94 0.591 1.530 5.136 618 1HG GLN 94 1HG GLN 94 1.714 1.149 7.102 619 2HG GLN 94 2HG GLN 94 3.245 0.780 6.293 620 1HE2 GLN 94 1HE2 GLN 94 4.122 2.097 8.024 621 2HE2 GLN 94 2HE2 GLN 94 4.195 3.819 7.854 622 H VAL 95 H VAL 95 0.229 -1.764 3.711 623 HA VAL 95 HA VAL 95 -0.152 -0.923 0.966 624 HB VAL 95 HB VAL 95 -1.481 -3.208 2.413 625 1HG1 VAL 95 1HG1 VAL 95 -1.457 -2.224 -0.300 626 2HG1 VAL 95 2HG1 VAL 95 -0.775 -3.866 -0.243 627 3HG1 VAL 95 3HG1 VAL 95 -2.401 -3.554 0.411 628 1HG2 VAL 95 1HG2 VAL 95 1.344 -2.979 1.401 629 2HG2 VAL 95 2HG2 VAL 95 0.730 -3.723 2.897 630 3HG2 VAL 95 3HG2 VAL 95 0.493 -4.542 1.336 631 H GLY 96 H GLY 96 -1.471 0.817 0.691 632 1HA GLY 96 1HA GLY 96 -4.188 0.608 1.712 633 2HA GLY 96 2HA GLY 96 -3.251 1.965 2.307 634 H LEU 97 H LEU 97 -5.410 2.739 0.948 635 HA LEU 97 HA LEU 97 -4.507 3.210 -1.805 636 1HB LEU 97 1HB LEU 97 -7.012 3.969 -1.941 637 2HB LEU 97 2HB LEU 97 -6.538 2.268 -2.094 638 HG LEU 97 HG LEU 97 -8.560 2.657 -0.701 639 1HD1 LEU 97 1HD1 LEU 97 -8.061 0.742 0.298 640 2HD1 LEU 97 2HD1 LEU 97 -6.367 0.964 -0.202 641 3HD1 LEU 97 3HD1 LEU 97 -6.910 1.555 1.387 642 1HD2 LEU 97 1HD2 LEU 97 -8.654 4.025 1.074 643 2HD2 LEU 97 2HD2 LEU 97 -7.019 3.594 1.630 644 3HD2 LEU 97 3HD2 LEU 97 -7.230 4.795 0.333 645 H SER 98 H SER 98 -4.531 5.353 -2.661 646 HA SER 98 HA SER 98 -4.279 7.316 -0.539 647 1HB SER 98 1HB SER 98 -2.571 8.177 -1.727 648 2HB SER 98 2HB SER 98 -2.666 6.725 -2.740 649 HG SER 98 HG SER 98 -3.165 8.045 -4.342 650 H ASP 99 H ASP 99 -5.447 9.318 -0.604 651 HA ASP 99 HA ASP 99 -7.916 9.101 -1.995 652 1HB ASP 99 1HB ASP 99 -7.166 11.671 -0.681 653 2HB ASP 99 2HB ASP 99 -8.658 10.729 -0.530 654 HD2 ASP 99 HD2 ASP 99 -5.650 9.613 1.837 655 H ALA 100 H ALA 100 -8.752 11.011 -3.352 656 HA ALA 100 HA ALA 100 -6.743 11.771 -5.246 657 1HB ALA 100 1HB ALA 100 -9.389 13.040 -5.458 658 2HB ALA 100 2HB ALA 100 -8.526 11.999 -6.616 659 3HB ALA 100 3HB ALA 100 -9.473 11.269 -5.296 660 H ALA 101 H ALA 101 -7.859 12.991 -2.245 661 HA ALA 101 HA ALA 101 -7.368 15.762 -2.973 662 1HB ALA 101 1HB ALA 101 -7.809 15.532 -0.202 663 2HB ALA 101 2HB ALA 101 -8.996 16.007 -1.440 664 3HB ALA 101 3HB ALA 101 -8.863 14.304 -0.941 665 H GLY 102 H GLY 102 -5.655 12.976 -1.930 666 1HA GLY 102 1HA GLY 102 -3.479 12.716 -1.387 667 2HA GLY 102 2HA GLY 102 -3.229 14.432 -1.633 668 H ASN 103 H ASN 103 -5.415 12.649 0.654 669 HA ASN 103 HA ASN 103 -4.206 14.234 2.767 670 1HB ASN 103 1HB ASN 103 -6.833 12.680 2.612 671 2HB ASN 103 2HB ASN 103 -6.273 13.495 4.080 672 1HD2 ASN 103 1HD2 ASN 103 -8.516 13.801 1.974 673 2HD2 ASN 103 2HD2 ASN 103 -8.549 15.498 1.626 674 H GLY 104 H GLY 104 -3.501 13.128 4.750 675 1HA GLY 104 1HA GLY 104 -2.018 10.933 4.634 676 2HA GLY 104 2HA GLY 104 -2.935 11.354 6.065 677 HA PRO 105 HA PRO 105 -5.167 7.938 3.599 678 1HB PRO 105 1HB PRO 105 -3.547 6.290 2.141 679 2HB PRO 105 2HB PRO 105 -4.469 7.612 1.429 680 1HG PRO 105 1HG PRO 105 -1.594 7.430 2.062 681 2HG PRO 105 2HG PRO 105 -2.423 8.550 0.923 682 1HD PRO 105 1HD PRO 105 -1.380 9.114 3.529 683 2HD PRO 105 2HD PRO 105 -2.330 10.207 2.513 684 H GLU 106 H GLU 106 -5.747 5.883 4.372 685 HA GLU 106 HA GLU 106 -4.081 5.217 6.614 686 1HB GLU 106 1HB GLU 106 -6.879 4.838 5.817 687 2HB GLU 106 2HB GLU 106 -6.188 3.378 6.544 688 1HG GLU 106 1HG GLU 106 -6.850 4.445 8.471 689 2HG GLU 106 2HG GLU 106 -5.256 5.198 8.311 690 HE2 GLU 106 HE2 GLU 106 -8.280 7.539 8.377 691 H GLY 107 H GLY 107 -2.323 3.935 6.215 692 1HA GLY 107 1HA GLY 107 -2.577 1.842 4.161 693 2HA GLY 107 2HA GLY 107 -1.088 2.534 4.768 694 H VAL 108 H VAL 108 -1.891 -0.329 4.627 695 HA VAL 108 HA VAL 108 -2.119 -0.967 7.473 696 HB VAL 108 HB VAL 108 -3.729 -1.915 5.811 697 1HG1 VAL 108 1HG1 VAL 108 -1.545 -2.338 4.226 698 2HG1 VAL 108 2HG1 VAL 108 -1.802 -3.963 4.905 699 3HG1 VAL 108 3HG1 VAL 108 -3.117 -3.147 4.023 700 1HG2 VAL 108 1HG2 VAL 108 -2.075 -4.088 7.116 701 2HG2 VAL 108 2HG2 VAL 108 -3.085 -2.960 8.051 702 3HG2 VAL 108 3HG2 VAL 108 -3.835 -4.039 6.850 703 H ALA 109 H ALA 109 -0.260 -1.332 8.559 704 HA ALA 109 HA ALA 109 2.205 -1.550 7.221 705 1HB ALA 109 1HB ALA 109 3.080 -1.350 9.332 706 2HB ALA 109 2HB ALA 109 1.419 -0.834 9.705 707 3HB ALA 109 3HB ALA 109 1.927 -2.508 10.035 708 H ILE 110 H ILE 110 2.191 -3.283 5.741 709 HA ILE 110 HA ILE 110 1.333 -5.869 6.530 710 HB ILE 110 HB ILE 110 1.188 -5.090 4.244 711 1HG1 ILE 110 1HG1 ILE 110 3.199 -7.258 3.988 712 2HG1 ILE 110 2HG1 ILE 110 1.807 -7.582 5.036 713 1HG2 ILE 110 1HG2 ILE 110 2.817 -3.866 3.368 714 2HG2 ILE 110 2HG2 ILE 110 3.934 -4.314 4.681 715 3HG2 ILE 110 3HG2 ILE 110 3.799 -5.347 3.237 716 1HD1 ILE 110 1HD1 ILE 110 0.273 -6.991 3.185 717 2HD1 ILE 110 2HD1 ILE 110 1.666 -6.608 2.145 718 3HD1 ILE 110 3HD1 ILE 110 1.390 -8.283 2.683 719 H SER 111 H SER 111 2.621 -7.753 6.928 720 HA SER 111 HA SER 111 4.802 -7.227 8.566 721 1HB SER 111 1HB SER 111 3.585 -9.708 7.358 722 2HB SER 111 2HB SER 111 5.114 -9.831 8.248 723 HG SER 111 HG SER 111 4.079 -9.027 10.117 724 H PHE 112 H PHE 112 5.970 -5.816 6.869 725 HA PHE 112 HA PHE 112 7.008 -6.583 4.538 726 1HB PHE 112 1HB PHE 112 8.936 -5.099 5.187 727 2HB PHE 112 2HB PHE 112 7.403 -4.411 5.730 728 HD1 PHE 112 1HD PHE 112 6.981 -4.067 8.039 729 HD2 PHE 112 2HD PHE 112 10.424 -6.232 6.828 730 HE1 PHE 112 1HE PHE 112 7.881 -3.945 10.378 731 HE2 PHE 112 2HE PHE 112 11.323 -6.110 9.168 732 HZ PHE 112 HZ PHE 112 10.041 -4.968 10.915 733 H ASN 113 H ASN 113 8.295 -8.183 3.745 734 HA ASN 113 HA ASN 113 9.151 -10.233 5.346 735 1HB ASN 113 1HB ASN 113 9.066 -9.670 2.609 736 2HB ASN 113 2HB ASN 113 10.802 -9.833 2.913 737 1HD2 ASN 113 1HD2 ASN 113 10.739 -11.706 1.597 738 2HD2 ASN 113 2HD2 ASN 113 10.196 -13.232 2.213 739 6H NCZ 130 6H NCZ 130 0.818 13.500 -1.300 740 6H1 NCZ 130 6H1 NCZ 130 -0.327 10.825 -1.469 741 5H1 NCZ 130 5H1 NCZ 130 -1.522 12.429 0.259 742 4H1 NCZ 130 4H1 NCZ 130 0.312 12.614 2.307 743 5H NCZ 130 5H NCZ 130 3.520 12.294 0.634 744 3H1 NCZ 130 3H1 NCZ 130 2.002 10.940 1.778 745 2H1 NCZ 130 2H1 NCZ 130 2.093 11.159 -1.093 746 2H NCZ 130 2H NCZ 130 0.374 7.979 -3.882 747 8H NCZ 130 8H NCZ 130 -0.529 4.933 -3.410 748 7H NCZ 130 7H NCZ 130 -1.165 3.891 -1.260 749 3H NCZ 130 3H NCZ 130 -0.230 4.820 3.254 750 1H17 NCZ 130 1H17 NCZ 130 1.968 8.394 4.849 751 2H17 NCZ 130 2H17 NCZ 130 2.541 8.509 3.168 752 3H17 NCZ 130 3H17 NCZ 130 0.872 8.975 3.575 753 1H18 NCZ 130 1H18 NCZ 130 -1.138 2.939 0.299 754 2H18 NCZ 130 2H18 NCZ 130 -0.953 2.937 2.069 755 3H18 NCZ 130 3H18 NCZ 130 -2.304 3.818 1.316 756 1H NCZ 130 1H NCZ 130 1.737 7.933 1.152 Start of MODEL 30 1 H ALA 1 H ALA 1 -10.519 -5.215 13.656 2 HA ALA 1 HA ALA 1 -8.343 -5.364 14.728 3 1HB ALA 1 1HB ALA 1 -8.754 -7.783 15.353 4 2HB ALA 1 2HB ALA 1 -8.369 -8.216 13.671 5 3HB ALA 1 3HB ALA 1 -7.134 -7.448 14.699 6 H ALA 2 H ALA 2 -7.399 -3.947 13.344 7 HA ALA 2 HA ALA 2 -6.253 -3.264 11.560 8 1HB ALA 2 1HB ALA 2 -5.687 -5.832 11.416 9 2HB ALA 2 2HB ALA 2 -6.814 -5.808 10.039 10 3HB ALA 2 3HB ALA 2 -5.364 -4.775 10.019 11 HA PRO 3 HA PRO 3 -10.340 -2.436 9.775 12 1HB PRO 3 1HB PRO 3 -10.552 0.175 10.545 13 2HB PRO 3 2HB PRO 3 -11.249 -1.158 11.461 14 1HG PRO 3 1HG PRO 3 -8.817 0.429 11.977 15 2HG PRO 3 2HG PRO 3 -9.771 -0.573 13.131 16 1HD PRO 3 1HD PRO 3 -7.249 -1.174 11.912 17 2HD PRO 3 2HD PRO 3 -8.222 -2.258 12.914 18 H THR 4 H THR 4 -11.033 -0.427 8.309 19 HA THR 4 HA THR 4 -10.607 0.554 6.358 20 HB THR 4 HB THR 4 -8.923 2.205 6.464 21 HG1 THR 4 1HG THR 4 -6.833 1.600 7.168 22 1HG2 THR 4 1HG2 THR 4 -10.198 1.977 8.771 23 2HG2 THR 4 2HG2 THR 4 -8.661 1.295 9.354 24 3HG2 THR 4 3HG2 THR 4 -8.712 2.955 8.711 25 H ALA 5 H ALA 5 -8.349 0.789 4.708 26 HA ALA 5 HA ALA 5 -8.440 -1.596 3.345 27 1HB ALA 5 1HB ALA 5 -5.983 0.131 3.209 28 2HB ALA 5 2HB ALA 5 -6.955 -0.575 1.893 29 3HB ALA 5 3HB ALA 5 -7.556 0.850 2.776 30 H THR 6 H THR 6 -7.664 -3.590 3.796 31 HA THR 6 HA THR 6 -5.091 -3.800 5.146 32 HB THR 6 HB THR 6 -6.364 -5.634 6.615 33 HG1 THR 6 1HG THR 6 -8.312 -3.655 5.670 34 1HG2 THR 6 1HG2 THR 6 -7.178 -2.838 7.391 35 2HG2 THR 6 2HG2 THR 6 -6.435 -4.111 8.387 36 3HG2 THR 6 3HG2 THR 6 -5.436 -3.167 7.257 37 H VAL 7 H VAL 7 -3.937 -5.673 4.659 38 HA VAL 7 HA VAL 7 -5.160 -7.222 2.484 39 HB VAL 7 HB VAL 7 -3.062 -5.770 2.156 40 1HG1 VAL 7 1HG1 VAL 7 -1.507 -8.116 3.179 41 2HG1 VAL 7 2HG1 VAL 7 -1.026 -6.412 3.005 42 3HG1 VAL 7 3HG1 VAL 7 -2.081 -6.904 4.350 43 1HG2 VAL 7 1HG2 VAL 7 -3.950 -8.169 1.003 44 2HG2 VAL 7 2HG2 VAL 7 -2.824 -6.984 0.297 45 3HG2 VAL 7 3HG2 VAL 7 -2.196 -8.374 1.213 46 H THR 8 H THR 8 -5.296 -9.453 2.634 47 HA THR 8 HA THR 8 -5.686 -10.737 4.909 48 HB THR 8 HB THR 8 -4.708 -11.484 2.191 49 HG1 THR 8 1HG THR 8 -6.572 -12.592 4.172 50 1HG2 THR 8 1HG2 THR 8 -4.145 -13.153 4.643 51 2HG2 THR 8 2HG2 THR 8 -4.831 -13.977 3.223 52 3HG2 THR 8 3HG2 THR 8 -3.279 -13.112 3.089 53 HA PRO 9 HA PRO 9 -1.167 -11.668 5.733 54 1HB PRO 9 1HB PRO 9 0.793 -10.751 4.067 55 2HB PRO 9 2HB PRO 9 0.099 -12.366 3.940 56 1HG PRO 9 1HG PRO 9 -0.368 -9.965 2.292 57 2HG PRO 9 2HG PRO 9 -0.691 -11.687 1.883 58 1HD PRO 9 1HD PRO 9 -2.564 -9.650 2.619 59 2HD PRO 9 2HD PRO 9 -2.911 -11.368 2.381 60 H SER 10 H SER 10 0.253 -10.724 7.216 61 HA SER 10 HA SER 10 0.124 -7.816 7.086 62 1HB SER 10 1HB SER 10 0.129 -7.983 9.685 63 2HB SER 10 2HB SER 10 -1.398 -8.254 8.827 64 HG SER 10 HG SER 10 0.348 -10.146 10.102 65 H SER 11 H SER 11 1.708 -10.675 8.682 66 HA SER 11 HA SER 11 4.219 -9.226 8.373 67 1HB SER 11 1HB SER 11 3.840 -9.198 10.705 68 2HB SER 11 2HB SER 11 3.191 -10.848 10.720 69 HG SER 11 HG SER 11 5.172 -11.566 11.060 70 H GLY 12 H GLY 12 6.172 -10.800 8.356 71 1HA GLY 12 1HA GLY 12 7.239 -12.522 7.383 72 2HA GLY 12 2HA GLY 12 5.919 -13.534 7.935 73 H LEU 13 H LEU 13 5.582 -10.751 5.680 74 HA LEU 13 HA LEU 13 4.130 -12.320 3.841 75 1HB LEU 13 1HB LEU 13 4.269 -10.294 2.432 76 2HB LEU 13 2HB LEU 13 3.619 -10.024 4.059 77 HG LEU 13 HG LEU 13 5.400 -8.732 4.701 78 1HD1 LEU 13 1HD1 LEU 13 7.659 -8.824 3.774 79 2HD1 LEU 13 2HD1 LEU 13 7.122 -10.430 4.324 80 3HD1 LEU 13 3HD1 LEU 13 7.135 -10.039 2.586 81 1HD2 LEU 13 1HD2 LEU 13 5.762 -8.172 1.776 82 2HD2 LEU 13 2HD2 LEU 13 4.185 -7.889 2.549 83 3HD2 LEU 13 3HD2 LEU 13 5.633 -7.044 3.148 84 H SER 14 H SER 14 4.841 -12.193 1.368 85 HA SER 14 HA SER 14 7.642 -13.001 1.298 86 1HB SER 14 1HB SER 14 5.457 -14.671 0.912 87 2HB SER 14 2HB SER 14 5.919 -14.250 -0.747 88 HG SER 14 HG SER 14 6.987 -16.184 0.256 89 H ASP 15 H ASP 15 8.856 -12.248 -0.492 90 HA ASP 15 HA ASP 15 8.055 -9.917 -1.648 91 1HB ASP 15 1HB ASP 15 10.208 -11.904 -2.024 92 2HB ASP 15 2HB ASP 15 9.852 -10.988 -3.497 93 HD2 ASP 15 HD2 ASP 15 10.660 -8.079 -1.270 94 H GLY 16 H GLY 16 5.797 -10.468 -2.404 95 1HA GLY 16 1HA GLY 16 4.956 -10.433 -4.735 96 2HA GLY 16 2HA GLY 16 5.803 -11.951 -4.965 97 H THR 17 H THR 17 4.017 -10.904 -2.009 98 HA THR 17 HA THR 17 2.435 -13.338 -2.193 99 HB THR 17 HB THR 17 2.877 -11.192 -0.058 100 HG1 THR 17 1HG THR 17 4.565 -12.817 -0.547 101 1HG2 THR 17 1HG2 THR 17 0.548 -12.513 -0.099 102 2HG2 THR 17 2HG2 THR 17 1.558 -13.873 0.446 103 3HG2 THR 17 3HG2 THR 17 1.472 -12.383 1.417 104 H VAL 18 H VAL 18 0.775 -13.236 -3.605 105 HA VAL 18 HA VAL 18 -0.723 -10.759 -3.775 106 HB VAL 18 HB VAL 18 -0.233 -11.673 -5.860 107 1HG1 VAL 18 1HG1 VAL 18 -1.074 -14.183 -6.259 108 2HG1 VAL 18 2HG1 VAL 18 0.560 -13.806 -5.662 109 3HG1 VAL 18 3HG1 VAL 18 -0.715 -14.296 -4.522 110 1HG2 VAL 18 1HG2 VAL 18 -2.754 -11.170 -5.262 111 2HG2 VAL 18 2HG2 VAL 18 -2.311 -11.861 -6.841 112 3HG2 VAL 18 3HG2 VAL 18 -2.946 -12.914 -5.555 113 H VAL 19 H VAL 19 -2.669 -10.405 -2.797 114 HA VAL 19 HA VAL 19 -4.271 -12.659 -1.982 115 HB VAL 19 HB VAL 19 -4.318 -12.114 0.347 116 1HG1 VAL 19 1HG1 VAL 19 -2.094 -12.794 1.023 117 2HG1 VAL 19 2HG1 VAL 19 -2.532 -13.644 -0.477 118 3HG1 VAL 19 3HG1 VAL 19 -1.415 -12.259 -0.532 119 1HG2 VAL 19 1HG2 VAL 19 -2.108 -10.290 0.606 120 2HG2 VAL 19 2HG2 VAL 19 -3.325 -9.592 -0.489 121 3HG2 VAL 19 3HG2 VAL 19 -3.792 -10.101 1.151 122 H LYS 20 H LYS 20 -5.893 -11.063 -0.149 123 HA LYS 20 HA LYS 20 -6.975 -9.158 -2.109 124 1HB LYS 20 1HB LYS 20 -8.187 -11.395 -1.162 125 2HB LYS 20 2HB LYS 20 -8.767 -10.193 0.003 126 1HG LYS 20 1HG LYS 20 -9.067 -8.811 -2.335 127 2HG LYS 20 2HG LYS 20 -9.322 -10.464 -2.921 128 1HD LYS 20 1HD LYS 20 -10.841 -10.509 -0.656 129 2HD LYS 20 2HD LYS 20 -10.989 -8.797 -1.082 130 1HE LYS 20 1HE LYS 20 -12.456 -9.309 -2.717 131 2HE LYS 20 2HE LYS 20 -11.290 -10.401 -3.476 132 1HZ LYS 20 1HZ LYS 20 -13.188 -11.626 -2.862 133 2HZ LYS 20 2HZ LYS 20 -12.008 -12.060 -1.820 134 3HZ LYS 20 3HZ LYS 20 -13.192 -11.043 -1.336 135 H VAL 21 H VAL 21 -7.491 -7.069 -1.437 136 HA VAL 21 HA VAL 21 -6.574 -6.437 1.283 137 HB VAL 21 HB VAL 21 -6.646 -4.655 -1.159 138 1HG1 VAL 21 1HG1 VAL 21 -5.503 -3.038 0.114 139 2HG1 VAL 21 2HG1 VAL 21 -6.774 -3.646 1.205 140 3HG1 VAL 21 3HG1 VAL 21 -5.093 -4.204 1.395 141 1HG2 VAL 21 1HG2 VAL 21 -4.926 -6.779 -0.776 142 2HG2 VAL 21 2HG2 VAL 21 -4.601 -5.346 -1.779 143 3HG2 VAL 21 3HG2 VAL 21 -4.013 -5.408 -0.101 144 H ALA 22 H ALA 22 -8.486 -6.608 2.448 145 HA ALA 22 HA ALA 22 -10.853 -5.324 1.357 146 1HB ALA 22 1HB ALA 22 -12.042 -6.603 2.894 147 2HB ALA 22 2HB ALA 22 -10.639 -7.652 2.588 148 3HB ALA 22 3HB ALA 22 -10.696 -6.648 4.057 149 H GLY 23 H GLY 23 -11.414 -3.264 1.854 150 1HA GLY 23 1HA GLY 23 -10.136 -2.061 4.238 151 2HA GLY 23 2HA GLY 23 -10.404 -1.209 2.730 152 H ALA 24 H ALA 24 -11.894 -2.495 5.676 153 HA ALA 24 HA ALA 24 -14.507 -1.497 4.844 154 1HB ALA 24 1HB ALA 24 -15.088 -2.543 7.161 155 2HB ALA 24 2HB ALA 24 -14.684 -3.632 5.813 156 3HB ALA 24 3HB ALA 24 -13.468 -3.273 7.060 157 H GLY 25 H GLY 25 -14.882 0.637 5.172 158 1HA GLY 25 1HA GLY 25 -15.351 2.298 6.828 159 2HA GLY 25 2HA GLY 25 -13.924 1.800 7.712 160 H LEU 26 H LEU 26 -13.438 1.737 4.285 161 HA LEU 26 HA LEU 26 -11.877 4.194 4.513 162 1HB LEU 26 1HB LEU 26 -11.200 1.725 3.632 163 2HB LEU 26 2HB LEU 26 -11.628 2.518 2.105 164 HG LEU 26 HG LEU 26 -9.249 2.681 2.512 165 1HD1 LEU 26 1HD1 LEU 26 -9.042 5.239 2.598 166 2HD1 LEU 26 2HD1 LEU 26 -10.026 4.521 1.298 167 3HD1 LEU 26 3HD1 LEU 26 -10.817 5.248 2.717 168 1HD2 LEU 26 1HD2 LEU 26 -8.497 2.730 4.602 169 2HD2 LEU 26 2HD2 LEU 26 -8.939 4.453 4.650 170 3HD2 LEU 26 3HD2 LEU 26 -10.085 3.225 5.233 171 H GLN 27 H GLN 27 -11.938 4.153 1.398 172 HA GLN 27 HA GLN 27 -13.515 6.242 0.981 173 1HB GLN 27 1HB GLN 27 -12.774 3.921 -0.802 174 2HB GLN 27 2HB GLN 27 -13.797 5.225 -1.433 175 1HG GLN 27 1HG GLN 27 -10.915 5.180 -0.893 176 2HG GLN 27 2HG GLN 27 -11.847 6.310 -1.886 177 1HE2 GLN 27 1HE2 GLN 27 -12.992 8.027 -0.813 178 2HE2 GLN 27 2HE2 GLN 27 -12.378 8.715 0.654 179 H ALA 28 H ALA 28 -15.489 6.247 2.156 180 HA ALA 28 HA ALA 28 -17.339 4.158 2.082 181 1HB ALA 28 1HB ALA 28 -17.764 5.583 3.827 182 2HB ALA 28 2HB ALA 28 -17.257 7.023 2.913 183 3HB ALA 28 3HB ALA 28 -18.868 6.318 2.640 184 H GLY 29 H GLY 29 -17.393 3.499 -0.181 185 1HA GLY 29 1HA GLY 29 -18.617 3.365 -2.086 186 2HA GLY 29 2HA GLY 29 -19.508 4.800 -1.619 187 H THR 30 H THR 30 -16.096 5.275 -1.375 188 HA THR 30 HA THR 30 -16.179 6.940 -3.766 189 HB THR 30 HB THR 30 -13.697 6.998 -2.228 190 HG1 THR 30 1HG THR 30 -14.754 7.454 -0.185 191 1HG2 THR 30 1HG2 THR 30 -14.507 9.325 -1.692 192 2HG2 THR 30 2HG2 THR 30 -14.578 8.977 -3.436 193 3HG2 THR 30 3HG2 THR 30 -16.065 8.931 -2.457 194 H ALA 31 H ALA 31 -13.662 7.031 -4.694 195 HA ALA 31 HA ALA 31 -12.933 4.255 -5.267 196 1HB ALA 31 1HB ALA 31 -12.946 6.254 -7.506 197 2HB ALA 31 2HB ALA 31 -13.157 4.486 -7.554 198 3HB ALA 31 3HB ALA 31 -14.495 5.529 -7.014 199 H TYR 32 H TYR 32 -10.911 4.133 -4.409 200 HA TYR 32 HA TYR 32 -9.122 6.406 -4.960 201 1HB TYR 32 1HB TYR 32 -9.670 4.516 -2.647 202 2HB TYR 32 2HB TYR 32 -8.001 5.058 -2.853 203 HD1 TYR 32 1HD TYR 32 -10.535 7.419 -3.895 204 HD2 TYR 32 2HD TYR 32 -8.284 6.031 -0.533 205 HE1 TYR 32 1HE TYR 32 -11.088 9.558 -2.634 206 HE2 TYR 32 2HE TYR 32 -8.845 8.173 0.718 207 HH TYR 32 HH TYR 32 -10.157 9.949 0.743 208 H ASP 33 H ASP 33 -6.696 5.243 -4.272 209 HA ASP 33 HA ASP 33 -6.561 3.049 -6.188 210 1HB ASP 33 1HB ASP 33 -5.288 5.586 -6.234 211 2HB ASP 33 2HB ASP 33 -4.020 4.430 -5.799 212 HD2 ASP 33 HD2 ASP 33 -5.682 4.062 -9.403 213 H VAL 34 H VAL 34 -5.903 1.149 -5.171 214 HA VAL 34 HA VAL 34 -4.855 1.280 -2.505 215 HB VAL 34 HB VAL 34 -5.878 -0.768 -4.386 216 1HG1 VAL 34 1HG1 VAL 34 -4.052 -1.523 -2.079 217 2HG1 VAL 34 2HG1 VAL 34 -4.972 -2.642 -3.115 218 3HG1 VAL 34 3HG1 VAL 34 -3.650 -1.671 -3.807 219 1HG2 VAL 34 1HG2 VAL 34 -6.339 0.137 -1.568 220 2HG2 VAL 34 2HG2 VAL 34 -7.505 -0.175 -2.877 221 3HG2 VAL 34 3HG2 VAL 34 -6.764 -1.535 -2.001 222 H GLY 35 H GLY 35 -2.761 0.800 -1.808 223 1HA GLY 35 1HA GLY 35 -0.756 -0.358 -3.359 224 2HA GLY 35 2HA GLY 35 -0.660 1.374 -3.607 225 H GLN 36 H GLN 36 1.353 -0.258 -2.281 226 HA GLN 36 HA GLN 36 0.994 0.404 0.508 227 1HB GLN 36 1HB GLN 36 2.898 -1.013 0.924 228 2HB GLN 36 2HB GLN 36 1.844 -1.863 -0.219 229 1HG GLN 36 1HG GLN 36 3.577 -0.306 -1.814 230 2HG GLN 36 2HG GLN 36 4.611 -0.968 -0.541 231 1HE2 GLN 36 1HE2 GLN 36 4.489 -1.537 -3.406 232 2HE2 GLN 36 2HE2 GLN 36 4.206 -3.238 -3.582 233 H CYS 37 H CYS 37 1.447 2.528 0.973 234 HA CYS 37 HA CYS 37 3.777 3.688 -0.359 235 1HB CYS 37 1HB CYS 37 1.348 4.700 -0.382 236 2HB CYS 37 2HB CYS 37 1.824 5.328 1.199 237 H ALA 38 H ALA 38 5.389 4.763 0.967 238 HA ALA 38 HA ALA 38 5.134 4.890 3.780 239 1HB ALA 38 1HB ALA 38 5.670 2.754 4.278 240 2HB ALA 38 2HB ALA 38 6.126 2.398 2.594 241 3HB ALA 38 3HB ALA 38 7.306 3.145 3.699 242 H TRP 39 H TRP 39 7.102 5.838 4.761 243 HA TRP 39 HA TRP 39 8.286 7.698 2.995 244 1HB TRP 39 1HB TRP 39 9.689 8.214 5.040 245 2HB TRP 39 2HB TRP 39 7.944 8.454 5.164 246 HD1 TRP 39 HD TRP 39 6.603 6.669 6.772 247 HE1 TRP 39 1HE TRP 39 7.324 5.123 8.785 248 HE3 TRP 39 3HE TRP 39 11.595 6.866 5.821 249 HZ2 TRP 39 2HZ TRP 39 9.844 4.178 9.733 250 HZ3 TRP 39 3HZ TRP 39 13.116 5.603 7.337 251 HH2 TRP 39 HH TRP 39 12.314 4.292 9.240 252 H VAL 40 H VAL 40 9.665 6.951 1.414 253 HA VAL 40 HA VAL 40 11.433 4.742 2.045 254 HB VAL 40 HB VAL 40 10.021 5.376 -0.155 255 1HG1 VAL 40 1HG1 VAL 40 11.490 6.233 -1.901 256 2HG1 VAL 40 2HG1 VAL 40 11.351 7.418 -0.582 257 3HG1 VAL 40 3HG1 VAL 40 12.816 6.417 -0.729 258 1HG2 VAL 40 1HG2 VAL 40 12.507 3.763 0.281 259 2HG2 VAL 40 2HG2 VAL 40 10.853 3.233 -0.104 260 3HG2 VAL 40 3HG2 VAL 40 11.879 3.938 -1.375 261 H ASP 41 H ASP 41 11.565 8.238 1.142 262 HA ASP 41 HA ASP 41 14.415 8.187 1.489 263 1HB ASP 41 1HB ASP 41 12.608 9.715 -0.014 264 2HB ASP 41 2HB ASP 41 13.144 10.836 1.250 265 HD2 ASP 41 HD2 ASP 41 16.132 11.343 -0.326 266 H THR 42 H THR 42 14.679 10.901 2.563 267 HA THR 42 HA THR 42 14.448 10.348 5.329 268 HB THR 42 HB THR 42 15.177 12.784 3.637 269 HG1 THR 42 1HG THR 42 16.640 10.930 3.770 270 1HG2 THR 42 1HG2 THR 42 15.402 12.417 6.673 271 2HG2 THR 42 2HG2 THR 42 16.102 13.759 5.735 272 3HG2 THR 42 3HG2 THR 42 14.335 13.589 5.864 273 H GLY 43 H GLY 43 12.179 9.765 5.530 274 1HA GLY 43 1HA GLY 43 10.133 10.273 6.324 275 2HA GLY 43 2HA GLY 43 10.645 11.940 6.504 276 H VAL 44 H VAL 44 10.968 10.361 3.348 277 HA VAL 44 HA VAL 44 8.850 12.125 2.362 278 HB VAL 44 HB VAL 44 11.180 10.761 1.000 279 1HG1 VAL 44 1HG1 VAL 44 9.327 10.836 -0.555 280 2HG1 VAL 44 2HG1 VAL 44 9.014 12.545 -0.162 281 3HG1 VAL 44 3HG1 VAL 44 10.513 12.085 -1.003 282 1HG2 VAL 44 1HG2 VAL 44 11.369 13.497 0.596 283 2HG2 VAL 44 2HG2 VAL 44 10.800 13.369 2.277 284 3HG2 VAL 44 3HG2 VAL 44 12.295 12.544 1.781 285 H LEU 45 H LEU 45 6.898 11.119 2.353 286 HA LEU 45 HA LEU 45 6.568 8.359 2.330 287 1HB LEU 45 1HB LEU 45 4.908 10.758 2.124 288 2HB LEU 45 2HB LEU 45 4.218 9.333 1.331 289 HG LEU 45 HG LEU 45 5.227 9.230 4.171 290 1HD1 LEU 45 1HD1 LEU 45 3.712 11.047 4.276 291 2HD1 LEU 45 2HD1 LEU 45 2.542 10.233 3.208 292 3HD1 LEU 45 3HD1 LEU 45 2.825 9.618 4.856 293 1HD2 LEU 45 1HD2 LEU 45 3.294 7.492 4.214 294 2HD2 LEU 45 2HD2 LEU 45 3.442 7.540 2.439 295 3HD2 LEU 45 3HD2 LEU 45 4.839 7.068 3.434 296 H ALA 46 H ALA 46 7.654 7.220 0.741 297 HA ALA 46 HA ALA 46 7.096 8.023 -2.023 298 1HB ALA 46 1HB ALA 46 9.050 5.919 -1.780 299 2HB ALA 46 2HB ALA 46 9.272 7.585 -2.365 300 3HB ALA 46 3HB ALA 46 9.451 7.218 -0.632 301 H CYS 47 H CYS 47 5.974 6.673 -3.406 302 HA CYS 47 HA CYS 47 4.940 4.245 -2.145 303 1HB CYS 47 1HB CYS 47 3.729 5.605 -4.534 304 2HB CYS 47 2HB CYS 47 2.988 4.446 -3.428 305 H ASN 48 H ASN 48 4.889 2.281 -3.460 306 HA ASN 48 HA ASN 48 7.092 2.210 -5.273 307 1HB ASN 48 1HB ASN 48 5.246 -0.138 -4.844 308 2HB ASN 48 2HB ASN 48 7.010 -0.131 -4.994 309 1HD2 ASN 48 1HD2 ASN 48 7.368 2.080 -3.156 310 2HD2 ASN 48 2HD2 ASN 48 7.107 1.482 -1.551 311 HA PRO 49 HA PRO 49 4.662 1.888 -8.919 312 1HB PRO 49 1HB PRO 49 5.677 -0.217 -10.336 313 2HB PRO 49 2HB PRO 49 6.448 1.366 -10.276 314 1HG PRO 49 1HG PRO 49 7.153 -1.142 -8.893 315 2HG PRO 49 2HG PRO 49 8.190 0.295 -9.207 316 1HD PRO 49 1HD PRO 49 6.958 -0.508 -6.751 317 2HD PRO 49 2HD PRO 49 7.836 0.998 -7.046 318 H ALA 50 H ALA 50 4.563 -0.707 -6.778 319 HA ALA 50 HA ALA 50 2.309 -1.887 -8.210 320 1HB ALA 50 1HB ALA 50 2.596 -3.547 -6.186 321 2HB ALA 50 2HB ALA 50 3.762 -3.583 -7.532 322 3HB ALA 50 3HB ALA 50 4.182 -2.756 -6.011 323 H ASP 51 H ASP 51 2.675 0.769 -6.419 324 HA ASP 51 HA ASP 51 0.696 0.193 -4.426 325 1HB ASP 51 1HB ASP 51 2.294 1.690 -3.612 326 2HB ASP 51 2HB ASP 51 2.453 2.534 -5.161 327 HD2 ASP 51 HD2 ASP 51 -0.123 3.838 -2.483 328 H PHE 52 H PHE 52 0.419 0.398 -7.616 329 HA PHE 52 HA PHE 52 -1.728 2.393 -7.641 330 1HB PHE 52 1HB PHE 52 -0.455 0.908 -9.992 331 2HB PHE 52 2HB PHE 52 -1.275 2.472 -10.035 332 HD1 PHE 52 1HD PHE 52 1.512 1.690 -11.118 333 HD2 PHE 52 2HD PHE 52 0.229 3.524 -7.514 334 HE1 PHE 52 1HE PHE 52 3.732 2.841 -10.914 335 HE2 PHE 52 2HE PHE 52 2.448 4.677 -7.310 336 HZ PHE 52 HZ PHE 52 4.175 4.322 -9.013 337 H SER 53 H SER 53 -3.522 1.260 -6.865 338 HA SER 53 HA SER 53 -4.360 -0.897 -8.610 339 1HB SER 53 1HB SER 53 -3.454 -2.066 -6.707 340 2HB SER 53 2HB SER 53 -4.293 -0.998 -5.566 341 HG SER 53 HG SER 53 -6.199 -2.022 -5.955 342 H SER 54 H SER 54 -5.561 1.123 -9.407 343 HA SER 54 HA SER 54 -7.298 2.541 -7.887 344 1HB SER 54 1HB SER 54 -6.697 2.245 -10.618 345 2HB SER 54 2HB SER 54 -8.444 1.960 -10.515 346 HG SER 54 HG SER 54 -8.779 4.020 -9.838 347 H VAL 55 H VAL 55 -9.049 1.949 -6.664 348 HA VAL 55 HA VAL 55 -10.889 -0.005 -7.718 349 HB VAL 55 HB VAL 55 -8.941 -1.143 -6.399 350 1HG1 VAL 55 1HG1 VAL 55 -9.287 0.508 -4.455 351 2HG1 VAL 55 2HG1 VAL 55 -10.715 -0.472 -4.046 352 3HG1 VAL 55 3HG1 VAL 55 -9.098 -1.216 -4.053 353 1HG2 VAL 55 1HG2 VAL 55 -11.605 -1.794 -6.947 354 2HG2 VAL 55 2HG2 VAL 55 -10.307 -2.913 -6.465 355 3HG2 VAL 55 3HG2 VAL 55 -11.383 -2.215 -5.231 356 H THR 56 H THR 56 -12.858 -0.162 -6.211 357 HA THR 56 HA THR 56 -13.160 2.369 -4.735 358 HB THR 56 HB THR 56 -14.493 1.431 -7.142 359 HG1 THR 56 1HG THR 56 -15.232 3.630 -5.387 360 1HG2 THR 56 1HG2 THR 56 -16.822 1.738 -6.460 361 2HG2 THR 56 2HG2 THR 56 -16.141 0.436 -5.456 362 3HG2 THR 56 3HG2 THR 56 -16.334 2.073 -4.780 363 H ALA 57 H ALA 57 -14.697 2.342 -2.973 364 HA ALA 57 HA ALA 57 -14.891 -0.361 -1.849 365 1HB ALA 57 1HB ALA 57 -13.973 2.174 -0.833 366 2HB ALA 57 2HB ALA 57 -15.399 1.659 0.101 367 3HB ALA 57 3HB ALA 57 -13.984 0.585 -0.027 368 H ASP 58 H ASP 58 -16.882 -1.030 -0.859 369 HA ASP 58 HA ASP 58 -19.118 -0.226 -2.270 370 1HB ASP 58 1HB ASP 58 -19.309 -1.480 0.473 371 2HB ASP 58 2HB ASP 58 -20.295 -1.813 -0.961 372 HD2 ASP 58 HD2 ASP 58 -17.060 -3.518 -1.972 373 H ALA 59 H ALA 59 -21.178 0.721 -1.246 374 HA ALA 59 HA ALA 59 -20.875 3.197 -0.267 375 1HB ALA 59 1HB ALA 59 -23.015 2.451 -1.001 376 2HB ALA 59 2HB ALA 59 -23.055 1.139 0.202 377 3HB ALA 59 3HB ALA 59 -23.211 2.832 0.728 378 H ASN 60 H ASN 60 -20.562 0.141 1.513 379 HA ASN 60 HA ASN 60 -20.555 1.524 4.023 380 1HB ASN 60 1HB ASN 60 -21.192 -1.062 3.242 381 2HB ASN 60 2HB ASN 60 -19.582 -1.291 3.944 382 1HD2 ASN 60 1HD2 ASN 60 -21.584 -2.523 5.149 383 2HD2 ASN 60 2HD2 ASN 60 -22.033 -1.775 6.643 384 H GLY 61 H GLY 61 -18.524 2.325 2.065 385 1HA GLY 61 1HA GLY 61 -16.291 2.497 1.738 386 2HA GLY 61 2HA GLY 61 -16.252 2.581 3.489 387 H SER 62 H SER 62 -17.135 -0.218 1.365 388 HA SER 62 HA SER 62 -14.971 -1.659 2.678 389 1HB SER 62 1HB SER 62 -17.439 -2.783 1.297 390 2HB SER 62 2HB SER 62 -16.248 -3.709 2.229 391 HG SER 62 HG SER 62 -18.241 -3.168 3.410 392 H ALA 63 H ALA 63 -13.208 -1.358 1.293 393 HA ALA 63 HA ALA 63 -13.685 -1.887 -1.553 394 1HB ALA 63 1HB ALA 63 -12.514 0.026 -1.758 395 2HB ALA 63 2HB ALA 63 -12.066 0.017 -0.035 396 3HB ALA 63 3HB ALA 63 -11.089 -0.891 -1.214 397 H SER 64 H SER 64 -13.506 -4.079 -1.859 398 HA SER 64 HA SER 64 -11.266 -5.367 -0.523 399 1HB SER 64 1HB SER 64 -12.519 -7.487 -1.384 400 2HB SER 64 2HB SER 64 -13.205 -6.598 -0.012 401 HG SER 64 HG SER 64 -13.987 -6.176 -2.767 402 H THR 65 H THR 65 -9.680 -4.483 -2.056 403 HA THR 65 HA THR 65 -9.926 -5.622 -4.761 404 HB THR 65 HB THR 65 -9.794 -3.055 -4.364 405 HG1 THR 65 1HG THR 65 -7.720 -4.551 -5.808 406 1HG2 THR 65 1HG2 THR 65 -7.386 -2.263 -4.203 407 2HG2 THR 65 2HG2 THR 65 -8.000 -2.952 -2.680 408 3HG2 THR 65 3HG2 THR 65 -6.925 -3.914 -3.723 409 H SER 66 H SER 66 -8.435 -7.029 -5.543 410 HA SER 66 HA SER 66 -6.568 -7.986 -3.568 411 1HB SER 66 1HB SER 66 -6.235 -9.862 -5.181 412 2HB SER 66 2HB SER 66 -7.932 -9.656 -4.714 413 HG SER 66 HG SER 66 -7.248 -8.158 -6.959 414 H LEU 67 H LEU 67 -4.276 -8.063 -3.896 415 HA LEU 67 HA LEU 67 -3.210 -7.008 -6.358 416 1HB LEU 67 1HB LEU 67 -3.756 -5.259 -4.240 417 2HB LEU 67 2HB LEU 67 -2.003 -5.526 -4.206 418 HG LEU 67 HG LEU 67 -2.697 -3.544 -5.518 419 1HD1 LEU 67 1HD1 LEU 67 -0.602 -4.885 -5.975 420 2HD1 LEU 67 2HD1 LEU 67 -1.477 -5.629 -7.334 421 3HD1 LEU 67 3HD1 LEU 67 -1.191 -3.873 -7.316 422 1HD2 LEU 67 1HD2 LEU 67 -4.847 -4.462 -6.339 423 2HD2 LEU 67 2HD2 LEU 67 -3.845 -3.753 -7.629 424 3HD2 LEU 67 3HD2 LEU 67 -3.940 -5.522 -7.446 425 H THR 68 H THR 68 -0.626 -6.833 -5.955 426 HA THR 68 HA THR 68 0.057 -9.356 -4.602 427 HB THR 68 HB THR 68 1.498 -7.876 -6.863 428 HG1 THR 68 1HG THR 68 -0.582 -8.661 -7.545 429 1HG2 THR 68 1HG2 THR 68 1.795 -10.750 -6.836 430 2HG2 THR 68 2HG2 THR 68 3.067 -9.521 -6.661 431 3HG2 THR 68 3HG2 THR 68 2.222 -10.138 -5.221 432 H VAL 69 H VAL 69 1.266 -9.321 -2.816 433 HA VAL 69 HA VAL 69 2.321 -6.753 -1.989 434 HB VAL 69 HB VAL 69 2.156 -9.438 -0.605 435 1HG1 VAL 69 1HG1 VAL 69 2.495 -7.966 1.469 436 2HG1 VAL 69 2HG1 VAL 69 3.922 -8.283 0.452 437 3HG1 VAL 69 3HG1 VAL 69 3.080 -6.719 0.343 438 1HG2 VAL 69 1HG2 VAL 69 0.493 -7.530 0.647 439 2HG2 VAL 69 2HG2 VAL 69 0.187 -7.381 -1.100 440 3HG2 VAL 69 3HG2 VAL 69 -0.002 -8.958 -0.295 441 H ARG 70 H ARG 70 4.043 -6.478 -3.522 442 HA ARG 70 HA ARG 70 6.107 -8.497 -3.350 443 1HB ARG 70 1HB ARG 70 5.729 -6.115 -5.220 444 2HB ARG 70 2HB ARG 70 7.117 -7.215 -5.301 445 1HG ARG 70 1HG ARG 70 5.777 -9.036 -5.989 446 2HG ARG 70 2HG ARG 70 4.276 -8.283 -5.418 447 1HD ARG 70 1HD ARG 70 4.292 -6.697 -7.231 448 2HD ARG 70 2HD ARG 70 5.947 -7.120 -7.690 449 HE ARG 70 HE ARG 70 3.496 -8.585 -8.355 450 1HH1 ARG 70 1HH1 ARG 70 6.993 -8.796 -8.033 451 2HH1 ARG 70 2HH1 ARG 70 7.138 -10.159 -9.091 452 1HH2 ARG 70 1HH2 ARG 70 3.685 -10.385 -9.753 453 2HH2 ARG 70 2HH2 ARG 70 5.244 -11.069 -10.076 454 H ARG 71 H ARG 71 6.645 -7.769 -1.089 455 HA ARG 71 HA ARG 71 7.215 -5.395 -0.179 456 1HB ARG 71 1HB ARG 71 7.639 -7.675 0.909 457 2HB ARG 71 2HB ARG 71 9.232 -7.668 0.134 458 1HG ARG 71 1HG ARG 71 9.315 -5.227 1.272 459 2HG ARG 71 2HG ARG 71 8.184 -5.993 2.397 460 1HD ARG 71 1HD ARG 71 11.070 -6.654 1.817 461 2HD ARG 71 2HD ARG 71 10.261 -6.491 3.383 462 HE ARG 71 HE ARG 71 9.047 -8.682 2.100 463 1HH1 ARG 71 1HH1 ARG 71 12.281 -7.824 3.191 464 2HH1 ARG 71 2HH1 ARG 71 12.758 -9.463 3.477 465 1HH2 ARG 71 1HH2 ARG 71 9.675 -10.846 2.479 466 2HH2 ARG 71 2HH2 ARG 71 11.267 -11.196 3.068 467 H SER 72 H SER 72 9.063 -7.114 -2.687 468 HA SER 72 HA SER 72 11.140 -5.114 -2.593 469 1HB SER 72 1HB SER 72 10.772 -7.794 -3.877 470 2HB SER 72 2HB SER 72 11.863 -6.658 -4.688 471 HG SER 72 HG SER 72 12.635 -8.237 -2.851 472 H PHE 73 H PHE 73 10.941 -3.256 -3.785 473 HA PHE 73 HA PHE 73 10.053 -3.357 -6.477 474 1HB PHE 73 1HB PHE 73 8.209 -1.528 -5.721 475 2HB PHE 73 2HB PHE 73 7.809 -3.249 -5.728 476 HD1 PHE 73 1HD PHE 73 9.747 -1.154 -3.318 477 HD2 PHE 73 2HD PHE 73 6.374 -3.645 -3.966 478 HE1 PHE 73 1HE PHE 73 9.176 -1.016 -0.878 479 HE2 PHE 73 2HE PHE 73 5.803 -3.507 -1.525 480 HZ PHE 73 HZ PHE 73 7.212 -2.195 -0.010 481 H GLU 74 H GLU 74 10.006 -1.067 -7.445 482 HA GLU 74 HA GLU 74 12.187 0.363 -6.219 483 1HB GLU 74 1HB GLU 74 12.111 -0.263 -8.680 484 2HB GLU 74 2HB GLU 74 10.825 0.941 -8.883 485 1HG GLU 74 1HG GLU 74 12.675 2.239 -9.384 486 2HG GLU 74 2HG GLU 74 12.599 2.517 -7.638 487 HE2 GLU 74 HE2 GLU 74 15.394 0.413 -7.108 488 H GLY 75 H GLY 75 11.236 1.449 -4.440 489 1HA GLY 75 1HA GLY 75 8.797 2.741 -4.387 490 2HA GLY 75 2HA GLY 75 10.192 3.152 -3.411 491 H PHE 76 H PHE 76 8.357 5.120 -4.328 492 HA PHE 76 HA PHE 76 10.166 6.675 -5.998 493 1HB PHE 76 1HB PHE 76 7.216 5.990 -6.416 494 2HB PHE 76 2HB PHE 76 7.889 7.466 -7.118 495 HD1 PHE 76 1HD PHE 76 9.339 7.360 -9.027 496 HD2 PHE 76 2HD PHE 76 7.953 3.791 -7.198 497 HE1 PHE 76 1HE PHE 76 10.121 6.040 -11.014 498 HE2 PHE 76 2HE PHE 76 8.735 2.471 -9.184 499 HZ PHE 76 HZ PHE 76 9.810 3.611 -11.068 500 H LEU 77 H LEU 77 10.391 8.759 -5.269 501 HA LEU 77 HA LEU 77 9.160 9.468 -2.835 502 1HB LEU 77 1HB LEU 77 10.653 11.210 -4.790 503 2HB LEU 77 2HB LEU 77 10.363 11.541 -3.072 504 HG LEU 77 HG LEU 77 11.666 9.222 -2.821 505 1HD1 LEU 77 1HD1 LEU 77 13.639 9.604 -4.607 506 2HD1 LEU 77 2HD1 LEU 77 12.268 8.500 -4.878 507 3HD1 LEU 77 3HD1 LEU 77 12.248 10.135 -5.585 508 1HD2 LEU 77 1HD2 LEU 77 12.595 12.052 -2.984 509 2HD2 LEU 77 2HD2 LEU 77 12.584 10.919 -1.612 510 3HD2 LEU 77 3HD2 LEU 77 13.828 10.772 -2.877 511 H PHE 78 H PHE 78 7.503 10.941 -2.362 512 HA PHE 78 HA PHE 78 5.441 11.058 -4.256 513 1HB PHE 78 1HB PHE 78 4.852 11.141 -1.942 514 2HB PHE 78 2HB PHE 78 6.152 12.272 -1.555 515 HD1 PHE 78 1HD PHE 78 5.558 14.451 -1.102 516 HD2 PHE 78 2HD PHE 78 3.019 12.129 -3.586 517 HE1 PHE 78 1HE PHE 78 3.915 16.346 -1.193 518 HE2 PHE 78 2HE PHE 78 1.375 14.025 -3.677 519 HZ PHE 78 HZ PHE 78 1.843 16.111 -2.479 520 H ASP 79 H ASP 79 8.226 13.108 -3.636 521 HA ASP 79 HA ASP 79 7.267 15.537 -4.416 522 1HB ASP 79 1HB ASP 79 9.753 14.382 -3.843 523 2HB ASP 79 2HB ASP 79 9.942 14.948 -5.508 524 HD2 ASP 79 HD2 ASP 79 10.076 18.244 -4.515 525 H GLY 80 H GLY 80 8.919 12.960 -6.403 526 1HA GLY 80 1HA GLY 80 7.285 12.947 -8.581 527 2HA GLY 80 2HA GLY 80 8.360 14.298 -8.887 528 H THR 81 H THR 81 10.606 13.012 -7.285 529 HA THR 81 HA THR 81 11.638 11.430 -9.472 530 HB THR 81 HB THR 81 13.043 13.151 -8.408 531 HG1 THR 81 1HG THR 81 14.282 11.344 -8.994 532 1HG2 THR 81 1HG2 THR 81 11.844 12.261 -5.986 533 2HG2 THR 81 2HG2 THR 81 13.540 11.725 -5.897 534 3HG2 THR 81 3HG2 THR 81 13.163 13.447 -6.143 535 H ARG 82 H ARG 82 12.772 9.340 -9.066 536 HA ARG 82 HA ARG 82 11.070 7.786 -7.301 537 1HB ARG 82 1HB ARG 82 11.553 5.883 -8.698 538 2HB ARG 82 2HB ARG 82 11.222 7.229 -9.804 539 1HG ARG 82 1HG ARG 82 13.755 7.619 -9.853 540 2HG ARG 82 2HG ARG 82 13.930 6.063 -9.020 541 1HD ARG 82 1HD ARG 82 12.554 5.040 -10.918 542 2HD ARG 82 2HD ARG 82 12.716 6.582 -11.772 543 HE ARG 82 HE ARG 82 15.318 5.978 -11.124 544 1HH1 ARG 82 1HH1 ARG 82 12.764 4.126 -12.684 545 2HH1 ARG 82 2HH1 ARG 82 13.856 3.178 -13.634 546 1HH2 ARG 82 1HH2 ARG 82 16.759 4.727 -12.379 547 2HH2 ARG 82 2HH2 ARG 82 16.146 3.521 -13.460 548 H TRP 83 H TRP 83 12.024 6.252 -5.811 549 HA TRP 83 HA TRP 83 14.851 6.821 -5.263 550 1HB TRP 83 1HB TRP 83 13.267 7.445 -3.508 551 2HB TRP 83 2HB TRP 83 12.687 5.781 -3.425 552 HD1 TRP 83 HD TRP 83 13.686 4.716 -1.265 553 HE1 TRP 83 1HE TRP 83 15.980 4.646 0.035 554 HE3 TRP 83 3HE TRP 83 16.137 7.921 -4.360 555 HZ2 TRP 83 2HZ TRP 83 18.507 5.911 -0.368 556 HZ3 TRP 83 3HZ TRP 83 18.514 8.452 -3.834 557 HH2 TRP 83 HH TRP 83 19.700 7.505 -1.918 558 H GLY 84 H GLY 84 12.804 4.070 -4.178 559 1HA GLY 84 1HA GLY 84 13.043 2.049 -5.759 560 2HA GLY 84 2HA GLY 84 14.753 2.241 -5.414 561 H THR 85 H THR 85 15.615 1.564 -3.427 562 HA THR 85 HA THR 85 15.631 0.768 -1.319 563 HB THR 85 HB THR 85 12.571 0.858 -1.453 564 HG1 THR 85 1HG THR 85 13.753 2.926 -1.797 565 1HG2 THR 85 1HG2 THR 85 12.793 -0.123 0.615 566 2HG2 THR 85 2HG2 THR 85 14.554 0.147 0.640 567 3HG2 THR 85 3HG2 THR 85 13.448 1.451 1.131 568 H VAL 86 H VAL 86 13.043 -0.657 -3.411 569 HA VAL 86 HA VAL 86 12.777 -2.729 -4.139 570 HB VAL 86 HB VAL 86 15.538 -3.183 -2.991 571 1HG1 VAL 86 1HG1 VAL 86 15.497 -5.326 -3.664 572 2HG1 VAL 86 2HG1 VAL 86 13.726 -5.147 -3.664 573 3HG1 VAL 86 3HG1 VAL 86 14.641 -4.934 -5.175 574 1HG2 VAL 86 1HG2 VAL 86 16.101 -1.819 -4.698 575 2HG2 VAL 86 2HG2 VAL 86 15.781 -3.241 -5.718 576 3HG2 VAL 86 3HG2 VAL 86 14.522 -2.002 -5.499 577 H ASP 87 H ASP 87 14.716 -4.287 -1.686 578 HA ASP 87 HA ASP 87 12.543 -5.625 -0.657 579 1HB ASP 87 1HB ASP 87 14.668 -5.400 1.312 580 2HB ASP 87 2HB ASP 87 14.196 -6.810 0.349 581 HD2 ASP 87 HD2 ASP 87 16.878 -6.434 -1.765 582 H CYS 88 H CYS 88 10.863 -4.513 0.391 583 HA CYS 88 HA CYS 88 11.529 -2.236 2.035 584 1HB CYS 88 1HB CYS 88 9.675 -1.667 0.898 585 2HB CYS 88 2HB CYS 88 9.084 -3.326 0.772 586 H THR 89 H THR 89 12.758 -3.527 3.657 587 HA THR 89 HA THR 89 11.012 -5.201 5.333 588 HB THR 89 HB THR 89 13.064 -6.258 4.286 589 HG1 THR 89 1HG THR 89 12.110 -6.724 6.502 590 1HG2 THR 89 1HG2 THR 89 14.736 -4.521 4.267 591 2HG2 THR 89 2HG2 THR 89 14.409 -4.093 5.964 592 3HG2 THR 89 3HG2 THR 89 15.234 -5.620 5.574 593 H THR 90 H THR 90 13.098 -2.326 5.218 594 HA THR 90 HA THR 90 12.814 -1.964 8.092 595 HB THR 90 HB THR 90 14.347 -0.594 5.837 596 HG1 THR 90 1HG THR 90 16.057 -1.483 7.175 597 1HG2 THR 90 1HG2 THR 90 14.569 1.287 7.109 598 2HG2 THR 90 2HG2 THR 90 13.461 0.607 8.327 599 3HG2 THR 90 3HG2 THR 90 15.207 0.284 8.433 600 H ALA 91 H ALA 91 12.068 -0.061 5.089 601 HA ALA 91 HA ALA 91 10.413 1.729 6.541 602 1HB ALA 91 1HB ALA 91 9.746 2.366 4.126 603 2HB ALA 91 2HB ALA 91 11.456 2.561 4.582 604 3HB ALA 91 3HB ALA 91 10.948 1.160 3.612 605 H ALA 92 H ALA 92 8.640 0.907 7.584 606 HA ALA 92 HA ALA 92 7.216 -1.329 6.712 607 1HB ALA 92 1HB ALA 92 5.586 0.486 8.266 608 2HB ALA 92 2HB ALA 92 6.335 -1.052 8.758 609 3HB ALA 92 3HB ALA 92 7.246 0.472 8.906 610 H CYS 93 H CYS 93 6.382 -1.384 4.656 611 HA CYS 93 HA CYS 93 5.172 0.983 3.572 612 1HB CYS 93 1HB CYS 93 5.143 -1.761 2.336 613 2HB CYS 93 2HB CYS 93 5.016 -0.191 1.536 614 H GLN 94 H GLN 94 2.991 1.450 3.688 615 HA GLN 94 HA GLN 94 1.318 -0.661 4.790 616 1HB GLN 94 1HB GLN 94 1.051 2.366 4.818 617 2HB GLN 94 2HB GLN 94 -0.230 1.280 5.383 618 1HG GLN 94 1HG GLN 94 0.941 0.678 7.274 619 2HG GLN 94 2HG GLN 94 2.519 0.814 6.485 620 1HE2 GLN 94 1HE2 GLN 94 3.358 1.976 8.201 621 2HE2 GLN 94 2HE2 GLN 94 2.973 3.638 8.501 622 H VAL 95 H VAL 95 -0.034 -1.682 3.381 623 HA VAL 95 HA VAL 95 -0.518 -0.443 0.812 624 HB VAL 95 HB VAL 95 -1.663 -3.070 1.651 625 1HG1 VAL 95 1HG1 VAL 95 -0.972 -1.653 -0.826 626 2HG1 VAL 95 2HG1 VAL 95 -0.414 -3.343 -0.798 627 3HG1 VAL 95 3HG1 VAL 95 -2.135 -2.970 -0.543 628 1HG2 VAL 95 1HG2 VAL 95 0.752 -3.889 0.763 629 2HG2 VAL 95 2HG2 VAL 95 1.232 -2.392 1.602 630 3HG2 VAL 95 3HG2 VAL 95 0.363 -3.671 2.485 631 H GLY 96 H GLY 96 -2.258 0.816 0.419 632 1HA GLY 96 1HA GLY 96 -4.839 0.128 1.482 633 2HA GLY 96 2HA GLY 96 -4.152 1.557 2.228 634 H LEU 97 H LEU 97 -6.437 2.032 0.893 635 HA LEU 97 HA LEU 97 -5.708 2.841 -1.815 636 1HB LEU 97 1HB LEU 97 -8.267 3.431 -1.718 637 2HB LEU 97 2HB LEU 97 -7.685 1.789 -2.044 638 HG LEU 97 HG LEU 97 -8.313 2.604 0.775 639 1HD1 LEU 97 1HD1 LEU 97 -10.263 3.399 -0.362 640 2HD1 LEU 97 2HD1 LEU 97 -10.375 1.913 -1.332 641 3HD1 LEU 97 3HD1 LEU 97 -10.671 1.854 0.420 642 1HD2 LEU 97 1HD2 LEU 97 -8.731 -0.022 -0.671 643 2HD2 LEU 97 2HD2 LEU 97 -7.239 0.414 0.199 644 3HD2 LEU 97 3HD2 LEU 97 -8.780 0.282 1.083 645 H SER 98 H SER 98 -5.099 4.891 -2.244 646 HA SER 98 HA SER 98 -5.586 6.826 -0.136 647 1HB SER 98 1HB SER 98 -3.798 8.146 -1.207 648 2HB SER 98 2HB SER 98 -3.235 6.512 -0.819 649 HG SER 98 HG SER 98 -3.746 7.733 -3.345 650 H ASP 99 H ASP 99 -5.925 9.190 -1.020 651 HA ASP 99 HA ASP 99 -8.220 9.070 -2.656 652 1HB ASP 99 1HB ASP 99 -6.849 11.681 -2.156 653 2HB ASP 99 2HB ASP 99 -8.563 11.271 -1.994 654 HD2 ASP 99 HD2 ASP 99 -6.268 10.316 1.121 655 H ALA 100 H ALA 100 -8.441 10.513 -4.679 656 HA ALA 100 HA ALA 100 -6.091 10.150 -6.335 657 1HB ALA 100 1HB ALA 100 -8.003 9.424 -7.444 658 2HB ALA 100 2HB ALA 100 -9.021 10.714 -6.755 659 3HB ALA 100 3HB ALA 100 -7.863 11.092 -8.053 660 H ALA 101 H ALA 101 -7.008 12.414 -4.119 661 HA ALA 101 HA ALA 101 -6.526 14.761 -5.732 662 1HB ALA 101 1HB ALA 101 -7.368 15.913 -3.935 663 2HB ALA 101 2HB ALA 101 -8.059 14.315 -3.557 664 3HB ALA 101 3HB ALA 101 -6.571 14.856 -2.746 665 H GLY 102 H GLY 102 -5.046 13.665 -2.604 666 1HA GLY 102 1HA GLY 102 -2.459 13.273 -3.457 667 2HA GLY 102 2HA GLY 102 -2.591 14.999 -3.193 668 H ASN 103 H ASN 103 -4.317 12.356 -1.431 669 HA ASN 103 HA ASN 103 -2.782 13.143 0.919 670 1HB ASN 103 1HB ASN 103 -5.715 12.293 0.915 671 2HB ASN 103 2HB ASN 103 -4.806 12.933 2.291 672 1HD2 ASN 103 1HD2 ASN 103 -6.304 13.622 -0.789 673 2HD2 ASN 103 2HD2 ASN 103 -6.388 15.344 -0.644 674 H GLY 104 H GLY 104 -2.401 11.350 2.450 675 1HA GLY 104 1HA GLY 104 -2.944 8.683 1.288 676 2HA GLY 104 2HA GLY 104 -1.461 9.117 2.114 677 HA PRO 105 HA PRO 105 -5.044 8.409 5.176 678 1HB PRO 105 1HB PRO 105 -6.612 6.270 4.520 679 2HB PRO 105 2HB PRO 105 -7.087 7.940 4.223 680 1HG PRO 105 1HG PRO 105 -6.080 5.892 2.352 681 2HG PRO 105 2HG PRO 105 -7.002 7.395 1.983 682 1HD PRO 105 1HD PRO 105 -4.209 6.884 1.613 683 2HD PRO 105 2HD PRO 105 -5.037 8.428 1.386 684 H GLU 106 H GLU 106 -5.856 5.968 6.266 685 HA GLU 106 HA GLU 106 -3.280 5.121 7.120 686 1HB GLU 106 1HB GLU 106 -5.684 5.296 8.349 687 2HB GLU 106 2HB GLU 106 -5.717 3.578 7.917 688 1HG GLU 106 1HG GLU 106 -4.473 3.220 9.769 689 2HG GLU 106 2HG GLU 106 -3.121 3.977 8.913 690 HE2 GLU 106 HE2 GLU 106 -3.175 6.647 11.061 691 H GLY 107 H GLY 107 -2.315 3.043 6.832 692 1HA GLY 107 1HA GLY 107 -3.646 1.288 4.866 693 2HA GLY 107 2HA GLY 107 -1.987 1.807 4.636 694 H VAL 108 H VAL 108 -2.360 -0.882 4.752 695 HA VAL 108 HA VAL 108 -1.904 -1.694 7.514 696 HB VAL 108 HB VAL 108 -3.543 -2.799 5.879 697 1HG1 VAL 108 1HG1 VAL 108 -1.610 -2.872 4.093 698 2HG1 VAL 108 2HG1 VAL 108 -1.180 -4.387 4.922 699 3HG1 VAL 108 3HG1 VAL 108 -2.793 -4.197 4.196 700 1HG2 VAL 108 1HG2 VAL 108 -2.585 -3.691 8.109 701 2HG2 VAL 108 2HG2 VAL 108 -3.352 -4.847 6.994 702 3HG2 VAL 108 3HG2 VAL 108 -1.576 -4.743 7.087 703 H ALA 109 H ALA 109 0.174 -1.353 8.164 704 HA ALA 109 HA ALA 109 2.347 -1.235 6.416 705 1HB ALA 109 1HB ALA 109 2.898 -0.214 8.374 706 2HB ALA 109 2HB ALA 109 1.840 -1.271 9.339 707 3HB ALA 109 3HB ALA 109 3.455 -1.839 8.846 708 H ILE 110 H ILE 110 2.047 -3.127 5.025 709 HA ILE 110 HA ILE 110 2.221 -5.724 6.204 710 HB ILE 110 HB ILE 110 1.270 -4.711 3.858 711 1HG1 ILE 110 1HG1 ILE 110 0.562 -6.754 4.994 712 2HG1 ILE 110 2HG1 ILE 110 0.809 -7.026 3.260 713 1HG2 ILE 110 1HG2 ILE 110 3.916 -6.054 3.266 714 2HG2 ILE 110 2HG2 ILE 110 2.618 -5.831 2.068 715 3HG2 ILE 110 3HG2 ILE 110 3.395 -4.414 2.812 716 1HD1 ILE 110 1HD1 ILE 110 2.169 -8.232 5.571 717 2HD1 ILE 110 2HD1 ILE 110 2.114 -8.780 3.877 718 3HD1 ILE 110 3HD1 ILE 110 3.317 -7.570 4.382 719 H SER 111 H SER 111 3.993 -7.175 6.167 720 HA SER 111 HA SER 111 6.290 -7.116 4.989 721 1HB SER 111 1HB SER 111 7.783 -5.767 6.717 722 2HB SER 111 2HB SER 111 7.038 -4.942 5.335 723 HG SER 111 HG SER 111 6.785 -4.305 7.894 724 H PHE 112 H PHE 112 5.994 -6.399 8.542 725 HA PHE 112 HA PHE 112 5.936 -9.191 9.173 726 1HB PHE 112 1HB PHE 112 8.116 -9.174 10.313 727 2HB PHE 112 2HB PHE 112 8.386 -8.605 8.663 728 HD1 PHE 112 1HD PHE 112 8.162 -7.596 12.194 729 HD2 PHE 112 2HD PHE 112 9.108 -6.360 8.246 730 HE1 PHE 112 1HE PHE 112 9.233 -5.516 13.103 731 HE2 PHE 112 2HE PHE 112 10.180 -4.281 9.155 732 HZ PHE 112 HZ PHE 112 10.230 -3.882 11.572 733 H ASN 113 H ASN 113 6.038 -9.474 11.670 734 HA ASN 113 HA ASN 113 4.245 -7.563 12.731 735 1HB ASN 113 1HB ASN 113 4.121 -9.997 13.266 736 2HB ASN 113 2HB ASN 113 5.694 -9.910 14.072 737 1HD2 ASN 113 1HD2 ASN 113 4.252 -10.843 15.780 738 2HD2 ASN 113 2HD2 ASN 113 3.480 -9.751 16.881 739 6H NCZ 130 6H NCZ 130 0.373 13.718 -0.459 740 6H1 NCZ 130 6H1 NCZ 130 -1.113 11.217 -0.293 741 5H1 NCZ 130 5H1 NCZ 130 -0.983 12.574 1.972 742 4H1 NCZ 130 4H1 NCZ 130 1.642 12.242 2.746 743 5H NCZ 130 5H NCZ 130 3.448 11.974 -0.395 744 3H1 NCZ 130 3H1 NCZ 130 2.529 10.560 1.219 745 2H1 NCZ 130 2H1 NCZ 130 1.638 11.199 -1.047 746 2H NCZ 130 2H NCZ 130 -0.013 8.170 -4.035 747 8H NCZ 130 8H NCZ 130 -1.065 5.151 -3.714 748 7H NCZ 130 7H NCZ 130 -1.884 4.079 -1.642 749 3H NCZ 130 3H NCZ 130 -1.219 4.848 2.949 750 1H17 NCZ 130 1H17 NCZ 130 1.004 8.283 4.792 751 2H17 NCZ 130 2H17 NCZ 130 1.694 8.421 3.157 752 3H17 NCZ 130 3H17 NCZ 130 0.021 8.943 3.463 753 1H18 NCZ 130 1H18 NCZ 130 -1.999 3.086 -0.113 754 2H18 NCZ 130 2H18 NCZ 130 -1.933 3.028 1.665 755 3H18 NCZ 130 3H18 NCZ 130 -3.196 3.983 0.852 756 1H NCZ 130 1H NCZ 130 1.007 7.934 1.075 Start of MODEL 31 1 H ALA 1 H ALA 1 -11.195 -6.253 13.393 2 HA ALA 1 HA ALA 1 -13.688 -7.008 12.587 3 1HB ALA 1 1HB ALA 1 -14.409 -4.872 13.769 4 2HB ALA 1 2HB ALA 1 -13.332 -5.936 14.704 5 3HB ALA 1 3HB ALA 1 -12.681 -4.472 13.928 6 H ALA 2 H ALA 2 -12.715 -3.567 12.113 7 HA ALA 2 HA ALA 2 -13.448 -3.797 9.299 8 1HB ALA 2 1HB ALA 2 -15.474 -3.164 10.709 9 2HB ALA 2 2HB ALA 2 -14.612 -1.661 11.118 10 3HB ALA 2 3HB ALA 2 -15.039 -2.010 9.426 11 HA PRO 3 HA PRO 3 -9.832 -1.161 10.341 12 1HB PRO 3 1HB PRO 3 -7.819 -2.751 9.402 13 2HB PRO 3 2HB PRO 3 -8.277 -2.679 11.101 14 1HG PRO 3 1HG PRO 3 -8.849 -4.737 9.066 15 2HG PRO 3 2HG PRO 3 -8.891 -4.889 10.859 16 1HD PRO 3 1HD PRO 3 -11.092 -4.685 9.037 17 2HD PRO 3 2HD PRO 3 -11.181 -4.672 10.803 18 H THR 4 H THR 4 -11.580 -0.581 8.460 19 HA THR 4 HA THR 4 -11.858 0.011 6.305 20 HB THR 4 HB THR 4 -10.291 1.779 5.723 21 HG1 THR 4 1HG THR 4 -8.133 1.640 6.621 22 1HG2 THR 4 1HG2 THR 4 -10.183 1.388 8.759 23 2HG2 THR 4 2HG2 THR 4 -9.801 2.899 7.901 24 3HG2 THR 4 3HG2 THR 4 -11.462 2.260 7.883 25 H ALA 5 H ALA 5 -8.869 0.286 4.915 26 HA ALA 5 HA ALA 5 -9.316 -2.178 3.442 27 1HB ALA 5 1HB ALA 5 -7.568 -1.152 1.928 28 2HB ALA 5 2HB ALA 5 -9.036 -0.167 2.135 29 3HB ALA 5 3HB ALA 5 -7.547 0.260 3.013 30 H THR 6 H THR 6 -8.256 -4.019 3.954 31 HA THR 6 HA THR 6 -5.503 -3.825 4.872 32 HB THR 6 HB THR 6 -6.443 -5.629 6.697 33 HG1 THR 6 1HG THR 6 -8.450 -3.528 6.284 34 1HG2 THR 6 1HG2 THR 6 -5.398 -3.068 6.871 35 2HG2 THR 6 2HG2 THR 6 -7.034 -2.824 7.526 36 3HG2 THR 6 3HG2 THR 6 -5.945 -4.017 8.275 37 H VAL 7 H VAL 7 -4.251 -5.642 4.412 38 HA VAL 7 HA VAL 7 -5.339 -7.254 2.316 39 HB VAL 7 HB VAL 7 -2.702 -7.798 3.604 40 1HG1 VAL 7 1HG1 VAL 7 -4.021 -8.359 1.114 41 2HG1 VAL 7 2HG1 VAL 7 -2.543 -7.420 0.795 42 3HG1 VAL 7 3HG1 VAL 7 -2.451 -8.945 1.709 43 1HG2 VAL 7 1HG2 VAL 7 -1.935 -5.829 1.956 44 2HG2 VAL 7 2HG2 VAL 7 -3.529 -5.188 2.419 45 3HG2 VAL 7 3HG2 VAL 7 -2.316 -5.550 3.671 46 H THR 8 H THR 8 -5.790 -9.481 2.343 47 HA THR 8 HA THR 8 -7.079 -10.584 4.394 48 HB THR 8 HB THR 8 -5.630 -11.521 1.999 49 HG1 THR 8 1HG THR 8 -7.944 -12.406 3.578 50 1HG2 THR 8 1HG2 THR 8 -6.253 -13.554 4.201 51 2HG2 THR 8 2HG2 THR 8 -5.586 -13.889 2.585 52 3HG2 THR 8 3HG2 THR 8 -4.599 -13.039 3.796 53 HA PRO 9 HA PRO 9 -3.157 -12.200 6.421 54 1HB PRO 9 1HB PRO 9 -0.702 -11.433 5.502 55 2HB PRO 9 2HB PRO 9 -1.479 -12.943 5.030 56 1HG PRO 9 1HG PRO 9 -1.185 -10.413 3.539 57 2HG PRO 9 2HG PRO 9 -1.532 -12.062 2.899 58 1HD PRO 9 1HD PRO 9 -3.336 -9.861 3.224 59 2HD PRO 9 2HD PRO 9 -3.757 -11.509 2.742 60 H SER 10 H SER 10 -0.846 -11.097 7.453 61 HA SER 10 HA SER 10 -1.515 -8.354 7.957 62 1HB SER 10 1HB SER 10 -2.785 -9.925 9.613 63 2HB SER 10 2HB SER 10 -1.200 -10.156 10.373 64 HG SER 10 HG SER 10 -1.368 -7.550 10.095 65 H SER 11 H SER 11 0.439 -11.121 9.314 66 HA SER 11 HA SER 11 2.799 -9.537 8.707 67 1HB SER 11 1HB SER 11 2.410 -9.243 11.087 68 2HB SER 11 2HB SER 11 2.209 -10.989 11.323 69 HG SER 11 HG SER 11 4.363 -10.004 11.889 70 H GLY 12 H GLY 12 4.840 -10.965 8.695 71 1HA GLY 12 1HA GLY 12 5.937 -12.903 8.239 72 2HA GLY 12 2HA GLY 12 4.461 -13.812 8.496 73 H LEU 13 H LEU 13 4.449 -11.012 6.315 74 HA LEU 13 HA LEU 13 3.656 -12.715 4.153 75 1HB LEU 13 1HB LEU 13 4.204 -9.753 4.136 76 2HB LEU 13 2HB LEU 13 3.252 -10.682 2.965 77 HG LEU 13 HG LEU 13 1.936 -11.206 5.314 78 1HD1 LEU 13 1HD1 LEU 13 1.606 -8.831 6.265 79 2HD1 LEU 13 2HD1 LEU 13 3.048 -9.752 6.753 80 3HD1 LEU 13 3HD1 LEU 13 3.184 -8.473 5.521 81 1HD2 LEU 13 1HD2 LEU 13 0.804 -10.683 3.283 82 2HD2 LEU 13 2HD2 LEU 13 0.282 -9.497 4.504 83 3HD2 LEU 13 3HD2 LEU 13 1.468 -9.031 3.261 84 H SER 14 H SER 14 4.728 -12.044 1.874 85 HA SER 14 HA SER 14 7.608 -12.025 2.288 86 1HB SER 14 1HB SER 14 6.485 -14.349 1.798 87 2HB SER 14 2HB SER 14 6.376 -13.753 0.132 88 HG SER 14 HG SER 14 8.449 -14.199 -0.104 89 H ASP 15 H ASP 15 8.818 -11.388 0.239 90 HA ASP 15 HA ASP 15 7.643 -9.122 -0.841 91 1HB ASP 15 1HB ASP 15 10.021 -9.218 -0.735 92 2HB ASP 15 2HB ASP 15 10.083 -10.786 -1.555 93 HD2 ASP 15 HD2 ASP 15 10.749 -9.143 -4.462 94 H GLY 16 H GLY 16 5.604 -10.668 -1.445 95 1HA GLY 16 1HA GLY 16 5.080 -10.603 -4.081 96 2HA GLY 16 2HA GLY 16 5.922 -12.130 -3.924 97 H THR 17 H THR 17 3.919 -10.684 -1.323 98 HA THR 17 HA THR 17 2.222 -13.055 -1.431 99 HB THR 17 HB THR 17 2.297 -10.801 0.633 100 HG1 THR 17 1HG THR 17 3.708 -13.366 0.541 101 1HG2 THR 17 1HG2 THR 17 1.847 -12.933 2.102 102 2HG2 THR 17 2HG2 THR 17 0.485 -12.268 1.165 103 3HG2 THR 17 3HG2 THR 17 1.363 -13.699 0.570 104 H VAL 18 H VAL 18 0.670 -12.919 -2.963 105 HA VAL 18 HA VAL 18 -0.785 -10.382 -3.124 106 HB VAL 18 HB VAL 18 0.193 -11.142 -5.192 107 1HG1 VAL 18 1HG1 VAL 18 -0.733 -13.310 -6.221 108 2HG1 VAL 18 2HG1 VAL 18 0.498 -13.463 -4.943 109 3HG1 VAL 18 3HG1 VAL 18 -1.219 -13.740 -4.563 110 1HG2 VAL 18 1HG2 VAL 18 -1.852 -11.286 -6.599 111 2HG2 VAL 18 2HG2 VAL 18 -2.818 -11.532 -5.124 112 3HG2 VAL 18 3HG2 VAL 18 -1.941 -10.002 -5.368 113 H VAL 19 H VAL 19 -2.860 -10.229 -2.396 114 HA VAL 19 HA VAL 19 -4.445 -12.626 -2.150 115 HB VAL 19 HB VAL 19 -4.914 -12.256 0.231 116 1HG1 VAL 19 1HG1 VAL 19 -1.946 -12.654 -0.262 117 2HG1 VAL 19 2HG1 VAL 19 -2.910 -13.277 1.100 118 3HG1 VAL 19 3HG1 VAL 19 -3.189 -13.893 -0.546 119 1HG2 VAL 19 1HG2 VAL 19 -2.698 -10.807 1.146 120 2HG2 VAL 19 2HG2 VAL 19 -3.335 -9.857 -0.220 121 3HG2 VAL 19 3HG2 VAL 19 -4.398 -10.283 1.144 122 H LYS 20 H LYS 20 -6.355 -11.289 -0.331 123 HA LYS 20 HA LYS 20 -7.257 -9.190 -2.181 124 1HB LYS 20 1HB LYS 20 -9.501 -9.862 -1.794 125 2HB LYS 20 2HB LYS 20 -8.582 -11.319 -2.215 126 1HG LYS 20 1HG LYS 20 -8.452 -11.968 0.131 127 2HG LYS 20 2HG LYS 20 -9.191 -10.441 0.646 128 1HD LYS 20 1HD LYS 20 -11.168 -11.195 -0.924 129 2HD LYS 20 2HD LYS 20 -10.457 -12.810 -0.759 130 1HE LYS 20 1HE LYS 20 -10.574 -11.582 1.847 131 2HE LYS 20 2HE LYS 20 -12.162 -11.409 1.086 132 1HZ LYS 20 1HZ LYS 20 -10.698 -13.950 1.170 133 2HZ LYS 20 2HZ LYS 20 -11.762 -13.504 2.327 134 3HZ LYS 20 3HZ LYS 20 -12.269 -13.716 0.789 135 H VAL 21 H VAL 21 -7.743 -7.194 -1.344 136 HA VAL 21 HA VAL 21 -7.360 -6.946 1.555 137 HB VAL 21 HB VAL 21 -7.095 -4.841 -0.598 138 1HG1 VAL 21 1HG1 VAL 21 -5.671 -4.522 1.964 139 2HG1 VAL 21 2HG1 VAL 21 -6.618 -3.349 1.021 140 3HG1 VAL 21 3HG1 VAL 21 -7.445 -4.497 2.099 141 1HG2 VAL 21 1HG2 VAL 21 -4.562 -5.399 0.475 142 2HG2 VAL 21 2HG2 VAL 21 -5.294 -6.990 0.152 143 3HG2 VAL 21 3HG2 VAL 21 -5.152 -5.791 -1.157 144 H ALA 22 H ALA 22 -9.222 -6.772 2.684 145 HA ALA 22 HA ALA 22 -11.601 -5.882 1.294 146 1HB ALA 22 1HB ALA 22 -12.741 -7.029 2.918 147 2HB ALA 22 2HB ALA 22 -11.172 -7.853 3.095 148 3HB ALA 22 3HB ALA 22 -11.617 -6.535 4.207 149 H GLY 23 H GLY 23 -12.638 -3.928 1.619 150 1HA GLY 23 1HA GLY 23 -11.203 -2.008 3.342 151 2HA GLY 23 2HA GLY 23 -12.140 -1.613 1.914 152 H ALA 24 H ALA 24 -12.375 -2.905 5.273 153 HA ALA 24 HA ALA 24 -15.224 -2.686 5.317 154 1HB ALA 24 1HB ALA 24 -14.345 -4.353 6.718 155 2HB ALA 24 2HB ALA 24 -13.034 -3.303 7.307 156 3HB ALA 24 3HB ALA 24 -14.706 -3.033 7.852 157 H GLY 25 H GLY 25 -15.819 -0.555 4.791 158 1HA GLY 25 1HA GLY 25 -16.555 1.463 5.642 159 2HA GLY 25 2HA GLY 25 -15.385 1.365 6.944 160 H LEU 26 H LEU 26 -14.621 0.813 3.478 161 HA LEU 26 HA LEU 26 -12.646 2.917 3.649 162 1HB LEU 26 1HB LEU 26 -12.706 0.457 2.490 163 2HB LEU 26 2HB LEU 26 -13.026 1.510 1.101 164 HG LEU 26 HG LEU 26 -10.651 0.981 1.328 165 1HD1 LEU 26 1HD1 LEU 26 -11.019 3.027 0.250 166 2HD1 LEU 26 2HD1 LEU 26 -11.490 3.846 1.758 167 3HD1 LEU 26 3HD1 LEU 26 -9.792 3.392 1.486 168 1HD2 LEU 26 1HD2 LEU 26 -10.577 2.526 3.917 169 2HD2 LEU 26 2HD2 LEU 26 -10.796 0.759 3.872 170 3HD2 LEU 26 3HD2 LEU 26 -9.324 1.492 3.191 171 H GLN 27 H GLN 27 -13.002 3.225 0.578 172 HA GLN 27 HA GLN 27 -14.456 5.597 0.763 173 1HB GLN 27 1HB GLN 27 -13.096 4.025 -1.368 174 2HB GLN 27 2HB GLN 27 -14.339 5.159 -1.927 175 1HG GLN 27 1HG GLN 27 -12.182 6.289 -1.897 176 2HG GLN 27 2HG GLN 27 -13.189 6.976 -0.612 177 1HE2 GLN 27 1HE2 GLN 27 -12.736 6.541 1.528 178 2HE2 GLN 27 2HE2 GLN 27 -11.226 5.889 2.071 179 H ALA 28 H ALA 28 -16.511 4.864 1.714 180 HA ALA 28 HA ALA 28 -18.170 2.993 0.489 181 1HB ALA 28 1HB ALA 28 -19.741 5.006 1.769 182 2HB ALA 28 2HB ALA 28 -19.247 3.421 2.412 183 3HB ALA 28 3HB ALA 28 -18.224 4.853 2.684 184 H GLY 29 H GLY 29 -18.249 3.250 -1.776 185 1HA GLY 29 1HA GLY 29 -19.669 3.968 -3.488 186 2HA GLY 29 2HA GLY 29 -19.942 5.482 -2.649 187 H THR 30 H THR 30 -16.839 5.469 -2.059 188 HA THR 30 HA THR 30 -16.180 6.866 -4.533 189 HB THR 30 HB THR 30 -14.091 7.016 -2.584 190 HG1 THR 30 1HG THR 30 -16.807 7.412 -1.555 191 1HG2 THR 30 1HG2 THR 30 -14.562 9.082 -3.596 192 2HG2 THR 30 2HG2 THR 30 -16.320 8.805 -3.569 193 3HG2 THR 30 3HG2 THR 30 -15.472 9.276 -2.078 194 H ALA 31 H ALA 31 -13.581 6.663 -4.934 195 HA ALA 31 HA ALA 31 -12.622 3.994 -4.681 196 1HB ALA 31 1HB ALA 31 -13.695 4.968 -7.354 197 2HB ALA 31 2HB ALA 31 -12.566 3.602 -7.184 198 3HB ALA 31 3HB ALA 31 -14.184 3.516 -6.448 199 H TYR 32 H TYR 32 -10.472 4.282 -4.381 200 HA TYR 32 HA TYR 32 -9.240 6.568 -5.770 201 1HB TYR 32 1HB TYR 32 -8.629 5.147 -3.109 202 2HB TYR 32 2HB TYR 32 -7.717 6.527 -3.726 203 HD1 TYR 32 1HD TYR 32 -10.610 7.670 -4.772 204 HD2 TYR 32 2HD TYR 32 -8.902 6.531 -1.019 205 HE1 TYR 32 1HE TYR 32 -12.202 9.239 -3.565 206 HE2 TYR 32 2HE TYR 32 -10.502 8.106 0.177 207 HH TYR 32 HH TYR 32 -13.204 9.396 -1.303 208 H ASP 33 H ASP 33 -6.605 5.553 -4.583 209 HA ASP 33 HA ASP 33 -6.283 3.340 -6.454 210 1HB ASP 33 1HB ASP 33 -5.198 5.508 -7.147 211 2HB ASP 33 2HB ASP 33 -4.211 5.447 -5.679 212 HD2 ASP 33 HD2 ASP 33 -3.048 3.497 -8.847 213 H VAL 34 H VAL 34 -5.644 1.459 -5.389 214 HA VAL 34 HA VAL 34 -4.709 1.708 -2.653 215 HB VAL 34 HB VAL 34 -6.223 -0.174 -4.220 216 1HG1 VAL 34 1HG1 VAL 34 -4.028 -1.440 -2.553 217 2HG1 VAL 34 2HG1 VAL 34 -5.281 -2.265 -3.512 218 3HG1 VAL 34 3HG1 VAL 34 -3.997 -1.339 -4.330 219 1HG2 VAL 34 1HG2 VAL 34 -6.604 -1.075 -1.800 220 2HG2 VAL 34 2HG2 VAL 34 -5.689 0.369 -1.306 221 3HG2 VAL 34 3HG2 VAL 34 -7.197 0.544 -2.235 222 H GLY 35 H GLY 35 -2.711 0.844 -1.902 223 1HA GLY 35 1HA GLY 35 -0.860 -0.555 -3.417 224 2HA GLY 35 2HA GLY 35 -0.550 1.145 -3.718 225 H GLN 36 H GLN 36 1.317 -0.562 -2.386 226 HA GLN 36 HA GLN 36 1.015 0.101 0.407 227 1HB GLN 36 1HB GLN 36 2.856 -1.412 0.795 228 2HB GLN 36 2HB GLN 36 1.739 -2.201 -0.332 229 1HG GLN 36 1HG GLN 36 3.430 -0.846 -2.045 230 2HG GLN 36 2HG GLN 36 4.535 -1.290 -0.737 231 1HE2 GLN 36 1HE2 GLN 36 4.403 -2.221 -3.491 232 2HE2 GLN 36 2HE2 GLN 36 4.197 -3.940 -3.452 233 H CYS 37 H CYS 37 1.517 2.249 0.778 234 HA CYS 37 HA CYS 37 3.965 3.239 -0.476 235 1HB CYS 37 1HB CYS 37 1.654 4.385 -0.738 236 2HB CYS 37 2HB CYS 37 1.949 4.986 0.898 237 H ALA 38 H ALA 38 5.540 4.332 0.903 238 HA ALA 38 HA ALA 38 5.203 4.682 3.646 239 1HB ALA 38 1HB ALA 38 6.821 2.762 4.313 240 2HB ALA 38 2HB ALA 38 5.115 2.356 4.014 241 3HB ALA 38 3HB ALA 38 6.340 2.017 2.769 242 H TRP 39 H TRP 39 7.385 5.181 4.706 243 HA TRP 39 HA TRP 39 8.864 6.806 2.929 244 1HB TRP 39 1HB TRP 39 9.867 6.016 5.628 245 2HB TRP 39 2HB TRP 39 9.983 7.565 4.792 246 HD1 TRP 39 HD TRP 39 7.456 5.472 6.846 247 HE1 TRP 39 1HE TRP 39 5.530 6.995 7.814 248 HE3 TRP 39 3HE TRP 39 8.838 9.694 4.374 249 HZ2 TRP 39 2HZ TRP 39 4.817 9.733 7.444 250 HZ3 TRP 39 3HZ TRP 39 7.473 11.750 4.732 251 HH2 TRP 39 HH TRP 39 5.524 11.813 6.206 252 H VAL 40 H VAL 40 10.400 6.117 1.504 253 HA VAL 40 HA VAL 40 11.690 3.550 2.088 254 HB VAL 40 HB VAL 40 10.308 4.354 -0.116 255 1HG1 VAL 40 1HG1 VAL 40 11.944 6.033 -0.760 256 2HG1 VAL 40 2HG1 VAL 40 13.249 4.823 -0.709 257 3HG1 VAL 40 3HG1 VAL 40 11.960 4.694 -1.932 258 1HG2 VAL 40 1HG2 VAL 40 12.360 2.259 0.442 259 2HG2 VAL 40 2HG2 VAL 40 10.645 2.098 -0.008 260 3HG2 VAL 40 3HG2 VAL 40 11.860 2.492 -1.250 261 H ASP 41 H ASP 41 12.237 6.972 1.093 262 HA ASP 41 HA ASP 41 15.047 6.613 1.102 263 1HB ASP 41 1HB ASP 41 13.435 8.388 -0.101 264 2HB ASP 41 2HB ASP 41 13.766 9.330 1.360 265 HD2 ASP 41 HD2 ASP 41 17.305 9.032 0.209 266 H THR 42 H THR 42 15.640 9.234 2.432 267 HA THR 42 HA THR 42 15.496 8.298 5.188 268 HB THR 42 HB THR 42 17.107 10.426 3.694 269 HG1 THR 42 1HG THR 42 17.877 8.274 3.449 270 1HG2 THR 42 1HG2 THR 42 16.470 10.722 6.340 271 2HG2 THR 42 2HG2 THR 42 17.823 9.573 6.480 272 3HG2 THR 42 3HG2 THR 42 18.070 11.145 5.683 273 H GLY 43 H GLY 43 13.092 8.674 5.185 274 1HA GLY 43 1HA GLY 43 11.626 9.954 6.456 275 2HA GLY 43 2HA GLY 43 12.620 11.375 6.210 276 H VAL 44 H VAL 44 12.388 9.712 3.249 277 HA VAL 44 HA VAL 44 10.305 11.575 2.379 278 HB VAL 44 HB VAL 44 12.106 9.987 0.578 279 1HG1 VAL 44 1HG1 VAL 44 11.139 12.824 0.215 280 2HG1 VAL 44 2HG1 VAL 44 11.660 11.645 -1.015 281 3HG1 VAL 44 3HG1 VAL 44 10.101 11.435 -0.181 282 1HG2 VAL 44 1HG2 VAL 44 12.859 12.637 1.853 283 2HG2 VAL 44 2HG2 VAL 44 13.539 11.058 2.316 284 3HG2 VAL 44 3HG2 VAL 44 13.812 11.700 0.679 285 H LEU 45 H LEU 45 8.300 10.826 1.910 286 HA LEU 45 HA LEU 45 7.773 8.048 2.183 287 1HB LEU 45 1HB LEU 45 6.334 10.045 2.831 288 2HB LEU 45 2HB LEU 45 5.880 10.130 1.120 289 HG LEU 45 HG LEU 45 5.519 7.443 1.956 290 1HD1 LEU 45 1HD1 LEU 45 3.733 7.911 3.740 291 2HD1 LEU 45 2HD1 LEU 45 5.441 7.930 4.240 292 3HD1 LEU 45 3HD1 LEU 45 4.574 9.462 3.982 293 1HD2 LEU 45 1HD2 LEU 45 4.296 8.826 0.216 294 2HD2 LEU 45 2HD2 LEU 45 3.294 7.761 1.231 295 3HD2 LEU 45 3HD2 LEU 45 3.351 9.507 1.560 296 H ALA 46 H ALA 46 8.013 6.504 0.665 297 HA ALA 46 HA ALA 46 7.779 7.363 -2.137 298 1HB ALA 46 1HB ALA 46 9.475 5.097 -2.000 299 2HB ALA 46 2HB ALA 46 9.930 6.769 -2.408 300 3HB ALA 46 3HB ALA 46 10.029 6.206 -0.722 301 H CYS 47 H CYS 47 6.379 6.168 -3.374 302 HA CYS 47 HA CYS 47 5.024 4.012 -1.978 303 1HB CYS 47 1HB CYS 47 4.299 5.390 -4.565 304 2HB CYS 47 2HB CYS 47 3.307 4.226 -3.684 305 H ASN 48 H ASN 48 4.584 1.962 -3.214 306 HA ASN 48 HA ASN 48 6.965 1.189 -4.581 307 1HB ASN 48 1HB ASN 48 4.440 -0.226 -3.655 308 2HB ASN 48 2HB ASN 48 5.588 -1.062 -4.712 309 1HD2 ASN 48 1HD2 ASN 48 6.606 1.388 -2.459 310 2HD2 ASN 48 2HD2 ASN 48 7.405 0.363 -1.313 311 HA PRO 49 HA PRO 49 5.211 1.306 -8.599 312 1HB PRO 49 1HB PRO 49 6.316 -0.854 -9.858 313 2HB PRO 49 2HB PRO 49 7.178 0.664 -9.611 314 1HG PRO 49 1HG PRO 49 7.420 -1.912 -8.188 315 2HG PRO 49 2HG PRO 49 8.601 -0.556 -8.264 316 1HD PRO 49 1HD PRO 49 6.870 -1.293 -6.105 317 2HD PRO 49 2HD PRO 49 7.898 0.144 -6.190 318 H ALA 50 H ALA 50 4.516 -1.306 -6.591 319 HA ALA 50 HA ALA 50 2.405 -2.170 -8.435 320 1HB ALA 50 1HB ALA 50 4.029 -3.883 -7.630 321 2HB ALA 50 2HB ALA 50 3.541 -3.528 -5.955 322 3HB ALA 50 3HB ALA 50 2.364 -4.218 -7.098 323 H ASP 51 H ASP 51 2.709 0.259 -6.420 324 HA ASP 51 HA ASP 51 0.580 -0.374 -4.608 325 1HB ASP 51 1HB ASP 51 1.772 1.131 -3.419 326 2HB ASP 51 2HB ASP 51 2.684 1.635 -4.849 327 HD2 ASP 51 HD2 ASP 51 -0.063 3.993 -3.398 328 H PHE 52 H PHE 52 0.485 0.005 -7.775 329 HA PHE 52 HA PHE 52 -1.556 2.106 -7.819 330 1HB PHE 52 1HB PHE 52 -0.052 0.648 -10.065 331 2HB PHE 52 2HB PHE 52 -1.042 2.097 -10.267 332 HD1 PHE 52 1HD PHE 52 0.015 3.527 -7.764 333 HD2 PHE 52 2HD PHE 52 1.967 1.519 -10.951 334 HE1 PHE 52 1HE PHE 52 2.051 4.950 -7.412 335 HE2 PHE 52 2HE PHE 52 4.004 2.941 -10.600 336 HZ PHE 52 HZ PHE 52 4.023 4.639 -8.833 337 H SER 53 H SER 53 -3.395 0.956 -7.112 338 HA SER 53 HA SER 53 -4.415 -0.840 -9.103 339 1HB SER 53 1HB SER 53 -3.430 -2.502 -7.736 340 2HB SER 53 2HB SER 53 -3.869 -1.668 -6.234 341 HG SER 53 HG SER 53 -5.579 -3.108 -8.067 342 H SER 54 H SER 54 -5.962 0.839 -9.509 343 HA SER 54 HA SER 54 -7.267 2.406 -7.870 344 1HB SER 54 1HB SER 54 -9.165 2.371 -9.402 345 2HB SER 54 2HB SER 54 -7.660 2.228 -10.329 346 HG SER 54 HG SER 54 -9.798 0.576 -10.328 347 H VAL 55 H VAL 55 -8.545 2.241 -6.056 348 HA VAL 55 HA VAL 55 -9.734 -0.397 -5.541 349 HB VAL 55 HB VAL 55 -7.867 0.903 -4.066 350 1HG1 VAL 55 1HG1 VAL 55 -10.479 1.548 -2.668 351 2HG1 VAL 55 2HG1 VAL 55 -8.827 1.995 -2.177 352 3HG1 VAL 55 3HG1 VAL 55 -9.558 2.738 -3.620 353 1HG2 VAL 55 1HG2 VAL 55 -8.137 -1.241 -3.381 354 2HG2 VAL 55 2HG2 VAL 55 -9.116 -0.483 -2.102 355 3HG2 VAL 55 3HG2 VAL 55 -9.908 -1.185 -3.534 356 H THR 56 H THR 56 -11.919 -0.524 -4.987 357 HA THR 56 HA THR 56 -13.373 2.023 -4.883 358 HB THR 56 HB THR 56 -13.839 -0.373 -6.720 359 HG1 THR 56 1HG THR 56 -13.444 1.292 -8.221 360 1HG2 THR 56 1HG2 THR 56 -15.852 1.093 -7.470 361 2HG2 THR 56 2HG2 THR 56 -16.074 0.147 -5.980 362 3HG2 THR 56 3HG2 THR 56 -15.714 1.888 -5.885 363 H ALA 57 H ALA 57 -14.692 2.177 -3.181 364 HA ALA 57 HA ALA 57 -15.281 -0.331 -1.775 365 1HB ALA 57 1HB ALA 57 -14.398 2.333 -0.962 366 2HB ALA 57 2HB ALA 57 -15.879 1.841 -0.104 367 3HB ALA 57 3HB ALA 57 -14.425 0.815 -0.034 368 H ASP 58 H ASP 58 -17.339 -1.079 -1.841 369 HA ASP 58 HA ASP 58 -19.265 0.126 -3.346 370 1HB ASP 58 1HB ASP 58 -20.076 -1.535 -0.971 371 2HB ASP 58 2HB ASP 58 -20.670 -1.615 -2.637 372 HD2 ASP 58 HD2 ASP 58 -18.594 -4.515 -1.969 373 H ALA 59 H ALA 59 -21.410 1.079 -2.597 374 HA ALA 59 HA ALA 59 -21.172 3.282 -1.059 375 1HB ALA 59 1HB ALA 59 -23.098 2.960 -2.435 376 2HB ALA 59 2HB ALA 59 -23.546 1.462 -1.586 377 3HB ALA 59 3HB ALA 59 -23.703 3.031 -0.761 378 H ASN 60 H ASN 60 -21.406 -0.074 0.000 379 HA ASN 60 HA ASN 60 -22.071 0.705 2.675 380 1HB ASN 60 1HB ASN 60 -22.783 -1.478 1.468 381 2HB ASN 60 2HB ASN 60 -21.129 -2.046 1.742 382 1HD2 ASN 60 1HD2 ASN 60 -22.239 -3.732 2.940 383 2HD2 ASN 60 2HD2 ASN 60 -22.658 -3.481 4.603 384 H GLY 61 H GLY 61 -19.581 1.785 1.474 385 1HA GLY 61 1HA GLY 61 -17.350 1.931 1.804 386 2HA GLY 61 2HA GLY 61 -17.776 1.653 3.481 387 H SER 62 H SER 62 -18.015 -0.597 0.649 388 HA SER 62 HA SER 62 -16.203 -2.342 2.123 389 1HB SER 62 1HB SER 62 -18.379 -3.101 0.135 390 2HB SER 62 2HB SER 62 -17.350 -4.241 1.020 391 HG SER 62 HG SER 62 -18.797 -2.345 2.560 392 H ALA 63 H ALA 63 -14.201 -1.880 1.186 393 HA ALA 63 HA ALA 63 -14.108 -1.893 -1.748 394 1HB ALA 63 1HB ALA 63 -12.748 -0.372 0.393 395 2HB ALA 63 2HB ALA 63 -11.659 -0.985 -0.874 396 3HB ALA 63 3HB ALA 63 -13.034 0.057 -1.311 397 H SER 64 H SER 64 -14.177 -4.212 -1.942 398 HA SER 64 HA SER 64 -12.041 -5.624 -0.613 399 1HB SER 64 1HB SER 64 -13.146 -7.652 -1.578 400 2HB SER 64 2HB SER 64 -14.232 -6.685 -0.564 401 HG SER 64 HG SER 64 -14.430 -5.761 -3.100 402 H THR 65 H THR 65 -10.322 -4.496 -1.879 403 HA THR 65 HA THR 65 -10.189 -5.442 -4.664 404 HB THR 65 HB THR 65 -8.957 -3.041 -3.217 405 HG1 THR 65 1HG THR 65 -11.206 -2.872 -3.881 406 1HG2 THR 65 1HG2 THR 65 -8.880 -3.134 -6.172 407 2HG2 THR 65 2HG2 THR 65 -7.604 -2.654 -5.030 408 3HG2 THR 65 3HG2 THR 65 -7.845 -4.372 -5.423 409 H SER 66 H SER 66 -8.635 -6.827 -5.301 410 HA SER 66 HA SER 66 -6.805 -7.639 -3.202 411 1HB SER 66 1HB SER 66 -6.439 -9.637 -4.747 412 2HB SER 66 2HB SER 66 -8.061 -9.492 -4.048 413 HG SER 66 HG SER 66 -7.966 -9.990 -6.394 414 H LEU 67 H LEU 67 -4.505 -7.895 -3.667 415 HA LEU 67 HA LEU 67 -3.491 -7.093 -6.208 416 1HB LEU 67 1HB LEU 67 -4.166 -5.008 -4.616 417 2HB LEU 67 2HB LEU 67 -2.477 -5.266 -4.137 418 HG LEU 67 HG LEU 67 -3.083 -3.594 -6.047 419 1HD1 LEU 67 1HD1 LEU 67 -0.891 -3.584 -6.471 420 2HD1 LEU 67 2HD1 LEU 67 -0.793 -4.934 -5.316 421 3HD1 LEU 67 3HD1 LEU 67 -0.900 -5.262 -7.064 422 1HD2 LEU 67 1HD2 LEU 67 -2.857 -6.055 -7.769 423 2HD2 LEU 67 2HD2 LEU 67 -4.436 -5.437 -7.232 424 3HD2 LEU 67 3HD2 LEU 67 -3.363 -4.410 -8.214 425 H THR 68 H THR 68 -0.913 -6.803 -5.878 426 HA THR 68 HA THR 68 -0.159 -9.138 -4.274 427 HB THR 68 HB THR 68 0.328 -9.147 -6.727 428 HG1 THR 68 1HG THR 68 1.816 -9.994 -4.958 429 1HG2 THR 68 1HG2 THR 68 0.973 -6.429 -6.367 430 2HG2 THR 68 2HG2 THR 68 2.558 -7.224 -6.504 431 3HG2 THR 68 3HG2 THR 68 1.359 -7.402 -7.806 432 H VAL 69 H VAL 69 0.919 -8.962 -2.413 433 HA VAL 69 HA VAL 69 1.767 -6.302 -1.633 434 HB VAL 69 HB VAL 69 1.869 -8.858 -0.033 435 1HG1 VAL 69 1HG1 VAL 69 2.542 -6.115 0.491 436 2HG1 VAL 69 2HG1 VAL 69 1.164 -6.582 1.515 437 3HG1 VAL 69 3HG1 VAL 69 2.671 -7.527 1.566 438 1HG2 VAL 69 1HG2 VAL 69 -0.433 -7.300 0.638 439 2HG2 VAL 69 2HG2 VAL 69 -0.460 -7.609 -1.113 440 3HG2 VAL 69 3HG2 VAL 69 -0.356 -8.970 0.029 441 H ARG 70 H ARG 70 3.601 -5.940 -2.968 442 HA ARG 70 HA ARG 70 5.743 -7.855 -2.597 443 1HB ARG 70 1HB ARG 70 5.620 -5.489 -4.519 444 2HB ARG 70 2HB ARG 70 6.788 -6.823 -4.563 445 1HG ARG 70 1HG ARG 70 3.963 -7.696 -4.612 446 2HG ARG 70 2HG ARG 70 4.416 -6.700 -6.007 447 1HD ARG 70 1HD ARG 70 6.261 -8.209 -6.538 448 2HD ARG 70 2HD ARG 70 5.990 -9.142 -5.059 449 HE ARG 70 HE ARG 70 4.103 -10.160 -6.068 450 1HH1 ARG 70 1HH1 ARG 70 5.353 -7.575 -8.104 451 2HH1 ARG 70 2HH1 ARG 70 4.408 -8.031 -9.482 452 1HH2 ARG 70 1HH2 ARG 70 2.858 -10.761 -7.887 453 2HH2 ARG 70 2HH2 ARG 70 2.980 -9.855 -9.358 454 H ARG 71 H ARG 71 7.606 -7.305 -1.441 455 HA ARG 71 HA ARG 71 7.520 -4.723 -0.173 456 1HB ARG 71 1HB ARG 71 7.922 -6.505 1.358 457 2HB ARG 71 2HB ARG 71 9.113 -7.277 0.296 458 1HG ARG 71 1HG ARG 71 10.594 -5.264 0.627 459 2HG ARG 71 2HG ARG 71 9.433 -4.647 1.815 460 1HD ARG 71 1HD ARG 71 11.498 -6.020 2.650 461 2HD ARG 71 2HD ARG 71 9.916 -6.382 3.353 462 HE ARG 71 HE ARG 71 9.896 -8.450 2.201 463 1HH1 ARG 71 1HH1 ARG 71 12.631 -6.486 1.177 464 2HH1 ARG 71 2HH1 ARG 71 13.417 -7.785 0.344 465 1HH2 ARG 71 1HH2 ARG 71 10.934 -10.166 1.100 466 2HH2 ARG 71 2HH2 ARG 71 12.444 -9.893 0.300 467 H SER 72 H SER 72 9.598 -6.745 -2.317 468 HA SER 72 HA SER 72 11.630 -4.753 -2.402 469 1HB SER 72 1HB SER 72 12.890 -6.385 -3.332 470 2HB SER 72 2HB SER 72 11.568 -7.470 -2.865 471 HG SER 72 HG SER 72 10.828 -7.517 -4.948 472 H PHE 73 H PHE 73 11.884 -3.131 -3.939 473 HA PHE 73 HA PHE 73 11.193 -3.084 -6.513 474 1HB PHE 73 1HB PHE 73 8.847 -2.973 -4.699 475 2HB PHE 73 2HB PHE 73 8.893 -1.584 -5.789 476 HD1 PHE 73 1HD PHE 73 10.096 -2.942 -8.186 477 HD2 PHE 73 2HD PHE 73 7.015 -4.163 -5.534 478 HE1 PHE 73 1HE PHE 73 9.089 -4.355 -10.004 479 HE2 PHE 73 2HE PHE 73 6.010 -5.575 -7.348 480 HZ PHE 73 HZ PHE 73 7.060 -5.655 -9.561 481 H GLU 74 H GLU 74 10.733 -0.734 -7.367 482 HA GLU 74 HA GLU 74 12.484 0.944 -5.848 483 1HB GLU 74 1HB GLU 74 12.589 0.660 -8.357 484 2HB GLU 74 2HB GLU 74 11.068 1.563 -8.476 485 1HG GLU 74 1HG GLU 74 12.073 3.564 -7.975 486 2HG GLU 74 2HG GLU 74 13.220 2.837 -6.837 487 HE2 GLU 74 HE2 GLU 74 15.655 2.823 -9.245 488 H GLY 75 H GLY 75 11.909 2.731 -4.629 489 1HA GLY 75 1HA GLY 75 9.103 3.083 -4.050 490 2HA GLY 75 2HA GLY 75 10.467 3.882 -3.294 491 H PHE 76 H PHE 76 8.010 5.186 -4.136 492 HA PHE 76 HA PHE 76 9.108 6.904 -6.250 493 1HB PHE 76 1HB PHE 76 6.340 5.787 -5.621 494 2HB PHE 76 2HB PHE 76 6.470 7.300 -6.524 495 HD1 PHE 76 1HD PHE 76 8.912 6.611 -8.155 496 HD2 PHE 76 2HD PHE 76 5.421 4.376 -7.249 497 HE1 PHE 76 1HE PHE 76 9.200 5.303 -10.277 498 HE2 PHE 76 2HE PHE 76 5.708 3.068 -9.373 499 HZ PHE 76 HZ PHE 76 7.595 3.547 -10.861 500 H LEU 77 H LEU 77 9.973 8.544 -4.969 501 HA LEU 77 HA LEU 77 8.478 9.535 -2.730 502 1HB LEU 77 1HB LEU 77 10.992 10.551 -4.048 503 2HB LEU 77 2HB LEU 77 10.344 11.086 -2.488 504 HG LEU 77 HG LEU 77 11.304 8.282 -3.120 505 1HD1 LEU 77 1HD1 LEU 77 12.782 10.048 -1.234 506 2HD1 LEU 77 2HD1 LEU 77 13.371 8.765 -2.316 507 3HD1 LEU 77 3HD1 LEU 77 12.961 10.367 -2.977 508 1HD2 LEU 77 1HD2 LEU 77 11.123 7.855 -0.749 509 2HD2 LEU 77 2HD2 LEU 77 10.592 9.527 -0.450 510 3HD2 LEU 77 3HD2 LEU 77 9.552 8.414 -1.374 511 H PHE 78 H PHE 78 8.301 12.105 -2.628 512 HA PHE 78 HA PHE 78 6.613 12.772 -4.880 513 1HB PHE 78 1HB PHE 78 5.826 13.148 -2.572 514 2HB PHE 78 2HB PHE 78 7.310 14.009 -2.153 515 HD1 PHE 78 1HD PHE 78 7.708 16.275 -3.141 516 HD2 PHE 78 2HD PHE 78 3.994 14.267 -3.549 517 HE1 PHE 78 1HE PHE 78 6.602 18.447 -3.735 518 HE2 PHE 78 2HE PHE 78 2.884 16.438 -4.144 519 HZ PHE 78 HZ PHE 78 4.202 18.503 -4.230 520 H ASP 79 H ASP 79 9.719 13.710 -3.386 521 HA ASP 79 HA ASP 79 9.908 15.942 -5.206 522 1HB ASP 79 1HB ASP 79 11.087 15.158 -2.651 523 2HB ASP 79 2HB ASP 79 12.351 15.628 -3.797 524 HD2 ASP 79 HD2 ASP 79 11.719 18.783 -2.556 525 H GLY 80 H GLY 80 10.881 12.599 -4.763 526 1HA GLY 80 1HA GLY 80 12.457 12.708 -7.226 527 2HA GLY 80 2HA GLY 80 13.249 12.112 -5.782 528 H THR 81 H THR 81 9.985 11.717 -7.357 529 HA THR 81 HA THR 81 9.054 9.458 -6.497 530 HB THR 81 HB THR 81 7.948 10.331 -8.384 531 HG1 THR 81 1HG THR 81 7.872 8.423 -9.552 532 1HG2 THR 81 1HG2 THR 81 10.725 10.656 -9.429 533 2HG2 THR 81 2HG2 THR 81 9.526 10.161 -10.648 534 3HG2 THR 81 3HG2 THR 81 9.285 11.660 -9.719 535 H ARG 82 H ARG 82 10.856 8.690 -9.458 536 HA ARG 82 HA ARG 82 11.473 6.189 -8.642 537 1HB ARG 82 1HB ARG 82 11.873 7.704 -10.915 538 2HB ARG 82 2HB ARG 82 13.542 7.446 -10.379 539 1HG ARG 82 1HG ARG 82 12.807 4.945 -10.123 540 2HG ARG 82 2HG ARG 82 11.450 5.395 -11.169 541 1HD ARG 82 1HD ARG 82 13.221 6.357 -12.777 542 2HD ARG 82 2HD ARG 82 14.431 5.517 -11.797 543 HE ARG 82 HE ARG 82 12.490 3.588 -12.387 544 1HH1 ARG 82 1HH1 ARG 82 14.607 5.689 -14.255 545 2HH1 ARG 82 2HH1 ARG 82 14.718 4.597 -15.596 546 1HH2 ARG 82 1HH2 ARG 82 12.635 2.147 -14.155 547 2HH2 ARG 82 2HH2 ARG 82 13.589 2.570 -15.539 548 H TRP 83 H TRP 83 12.212 6.370 -6.382 549 HA TRP 83 HA TRP 83 14.711 7.727 -5.902 550 1HB TRP 83 1HB TRP 83 13.267 7.957 -4.133 551 2HB TRP 83 2HB TRP 83 12.680 6.295 -4.235 552 HD1 TRP 83 HD TRP 83 13.837 4.582 -2.597 553 HE1 TRP 83 1HE TRP 83 15.841 4.577 -0.880 554 HE3 TRP 83 3HE TRP 83 15.664 9.141 -3.912 555 HZ2 TRP 83 2HZ TRP 83 17.919 6.437 -0.277 556 HZ3 TRP 83 3HZ TRP 83 17.685 9.973 -2.710 557 HH2 TRP 83 HH TRP 83 18.805 8.700 -0.948 558 H GLY 84 H GLY 84 13.828 4.467 -4.677 559 1HA GLY 84 1HA GLY 84 15.255 2.828 -6.346 560 2HA GLY 84 2HA GLY 84 16.452 3.470 -5.239 561 H THR 85 H THR 85 16.880 1.940 -3.703 562 HA THR 85 HA THR 85 16.449 0.786 -1.808 563 HB THR 85 HB THR 85 13.462 0.812 -2.363 564 HG1 THR 85 1HG THR 85 13.787 2.971 -1.094 565 1HG2 THR 85 1HG2 THR 85 14.482 1.650 0.271 566 2HG2 THR 85 2HG2 THR 85 13.314 0.362 -0.120 567 3HG2 THR 85 3HG2 THR 85 15.062 0.026 -0.172 568 H VAL 86 H VAL 86 13.701 -0.300 -3.891 569 HA VAL 86 HA VAL 86 13.396 -2.186 -5.018 570 HB VAL 86 HB VAL 86 16.289 -2.904 -4.558 571 1HG1 VAL 86 1HG1 VAL 86 15.361 -3.524 -7.173 572 2HG1 VAL 86 2HG1 VAL 86 15.801 -4.644 -5.863 573 3HG1 VAL 86 3HG1 VAL 86 14.120 -4.081 -6.024 574 1HG2 VAL 86 1HG2 VAL 86 16.354 -0.650 -5.368 575 2HG2 VAL 86 2HG2 VAL 86 16.731 -1.722 -6.737 576 3HG2 VAL 86 3HG2 VAL 86 15.115 -0.991 -6.597 577 H ASP 87 H ASP 87 14.399 -1.886 -1.802 578 HA ASP 87 HA ASP 87 13.216 -4.461 -1.245 579 1HB ASP 87 1HB ASP 87 15.932 -4.247 -1.190 580 2HB ASP 87 2HB ASP 87 15.565 -3.713 0.457 581 HD2 ASP 87 HD2 ASP 87 14.595 -7.475 -0.435 582 H CYS 88 H CYS 88 11.431 -3.684 -0.078 583 HA CYS 88 HA CYS 88 11.812 -1.396 1.650 584 1HB CYS 88 1HB CYS 88 9.893 -1.330 0.248 585 2HB CYS 88 2HB CYS 88 9.359 -2.926 0.781 586 H THR 89 H THR 89 13.306 -3.679 2.432 587 HA THR 89 HA THR 89 11.746 -5.074 4.443 588 HB THR 89 HB THR 89 13.440 -6.214 2.945 589 HG1 THR 89 1HG THR 89 13.575 -7.444 4.778 590 1HG2 THR 89 1HG2 THR 89 15.372 -4.509 4.604 591 2HG2 THR 89 2HG2 THR 89 15.856 -5.934 3.656 592 3HG2 THR 89 3HG2 THR 89 15.211 -4.496 2.830 593 H THR 90 H THR 90 13.616 -2.179 4.169 594 HA THR 90 HA THR 90 14.318 -2.188 6.991 595 HB THR 90 HB THR 90 14.824 -0.345 4.606 596 HG1 THR 90 1HG THR 90 17.033 -1.107 5.315 597 1HG2 THR 90 1HG2 THR 90 16.502 0.706 6.312 598 2HG2 THR 90 2HG2 THR 90 14.800 1.219 6.428 599 3HG2 THR 90 3HG2 THR 90 15.446 0.016 7.569 600 H ALA 91 H ALA 91 12.282 -0.228 4.721 601 HA ALA 91 HA ALA 91 11.026 0.994 7.041 602 1HB ALA 91 1HB ALA 91 10.023 2.493 5.388 603 2HB ALA 91 2HB ALA 91 11.776 2.366 5.100 604 3HB ALA 91 3HB ALA 91 10.635 1.478 4.059 605 H ALA 92 H ALA 92 8.726 0.893 7.407 606 HA ALA 92 HA ALA 92 7.647 -1.674 6.658 607 1HB ALA 92 1HB ALA 92 6.019 -1.231 8.345 608 2HB ALA 92 2HB ALA 92 7.553 -0.579 8.974 609 3HB ALA 92 3HB ALA 92 6.331 0.521 8.295 610 H CYS 93 H CYS 93 6.507 -1.984 4.817 611 HA CYS 93 HA CYS 93 5.546 0.319 3.397 612 1HB CYS 93 1HB CYS 93 4.836 -2.349 2.393 613 2HB CYS 93 2HB CYS 93 5.561 -0.971 1.561 614 H GLN 94 H GLN 94 3.479 1.113 3.614 615 HA GLN 94 HA GLN 94 1.609 -0.581 5.050 616 1HB GLN 94 1HB GLN 94 1.671 2.415 4.540 617 2HB GLN 94 2HB GLN 94 0.331 1.593 5.357 618 1HG GLN 94 1HG GLN 94 1.545 1.257 7.276 619 2HG GLN 94 2HG GLN 94 3.064 0.993 6.405 620 1HE2 GLN 94 1HE2 GLN 94 0.642 3.527 7.037 621 2HE2 GLN 94 2HE2 GLN 94 1.748 4.838 7.270 622 H VAL 95 H VAL 95 0.062 -1.641 3.893 623 HA VAL 95 HA VAL 95 -0.388 -0.825 1.153 624 HB VAL 95 HB VAL 95 -1.652 -3.122 2.642 625 1HG1 VAL 95 1HG1 VAL 95 -1.417 -4.116 0.259 626 2HG1 VAL 95 2HG1 VAL 95 -2.683 -2.900 0.554 627 3HG1 VAL 95 3HG1 VAL 95 -1.169 -2.431 -0.256 628 1HG2 VAL 95 1HG2 VAL 95 0.974 -3.291 1.142 629 2HG2 VAL 95 2HG2 VAL 95 0.881 -3.055 2.903 630 3HG2 VAL 95 3HG2 VAL 95 0.202 -4.524 2.166 631 H GLY 96 H GLY 96 -1.811 0.799 0.788 632 1HA GLY 96 1HA GLY 96 -4.489 0.571 1.836 633 2HA GLY 96 2HA GLY 96 -3.586 1.922 2.492 634 H LEU 97 H LEU 97 -5.632 2.870 1.206 635 HA LEU 97 HA LEU 97 -4.802 3.327 -1.569 636 1HB LEU 97 1HB LEU 97 -7.166 4.114 -1.832 637 2HB LEU 97 2HB LEU 97 -6.935 2.378 -1.557 638 HG LEU 97 HG LEU 97 -8.884 3.502 -0.378 639 1HD1 LEU 97 1HD1 LEU 97 -8.836 1.675 0.874 640 2HD1 LEU 97 2HD1 LEU 97 -7.121 1.450 0.452 641 3HD1 LEU 97 3HD1 LEU 97 -7.566 2.376 1.905 642 1HD2 LEU 97 1HD2 LEU 97 -8.592 4.928 1.420 643 2HD2 LEU 97 2HD2 LEU 97 -6.889 4.467 1.649 644 3HD2 LEU 97 3HD2 LEU 97 -7.355 5.500 0.277 645 H SER 98 H SER 98 -4.761 5.494 -2.396 646 HA SER 98 HA SER 98 -4.347 7.408 -0.246 647 1HB SER 98 1HB SER 98 -3.221 7.100 -3.027 648 2HB SER 98 2HB SER 98 -3.207 8.697 -2.257 649 HG SER 98 HG SER 98 -2.303 6.765 -0.514 650 H ASP 99 H ASP 99 -5.652 9.232 -0.095 651 HA ASP 99 HA ASP 99 -8.012 9.269 -1.553 652 1HB ASP 99 1HB ASP 99 -6.942 11.782 -0.292 653 2HB ASP 99 2HB ASP 99 -8.579 11.114 -0.222 654 HD2 ASP 99 HD2 ASP 99 -7.938 9.793 2.848 655 H ALA 100 H ALA 100 -8.754 11.227 -2.928 656 HA ALA 100 HA ALA 100 -6.663 11.839 -4.839 657 1HB ALA 100 1HB ALA 100 -8.372 12.001 -6.328 658 2HB ALA 100 2HB ALA 100 -9.313 11.167 -5.066 659 3HB ALA 100 3HB ALA 100 -9.390 12.940 -5.208 660 H ALA 101 H ALA 101 -7.553 13.086 -1.906 661 HA ALA 101 HA ALA 101 -7.281 15.868 -2.790 662 1HB ALA 101 1HB ALA 101 -8.572 14.471 -0.468 663 2HB ALA 101 2HB ALA 101 -7.927 16.110 -0.209 664 3HB ALA 101 3HB ALA 101 -9.166 15.828 -1.455 665 H GLY 102 H GLY 102 -5.572 13.178 -1.489 666 1HA GLY 102 1HA GLY 102 -3.384 13.030 -0.918 667 2HA GLY 102 2HA GLY 102 -3.211 14.762 -1.111 668 H ASN 103 H ASN 103 -5.170 12.575 1.047 669 HA ASN 103 HA ASN 103 -4.185 14.207 3.254 670 1HB ASN 103 1HB ASN 103 -6.813 12.682 2.935 671 2HB ASN 103 2HB ASN 103 -6.313 13.456 4.447 672 1HD2 ASN 103 1HD2 ASN 103 -8.167 13.780 1.787 673 2HD2 ASN 103 2HD2 ASN 103 -8.281 15.503 1.645 674 H GLY 104 H GLY 104 -3.502 13.029 5.180 675 1HA GLY 104 1HA GLY 104 -2.081 10.789 5.010 676 2HA GLY 104 2HA GLY 104 -2.984 11.212 6.452 677 HA PRO 105 HA PRO 105 -5.328 7.923 3.919 678 1HB PRO 105 1HB PRO 105 -3.766 6.253 2.423 679 2HB PRO 105 2HB PRO 105 -4.645 7.620 1.740 680 1HG PRO 105 1HG PRO 105 -1.775 7.331 2.364 681 2HG PRO 105 2HG PRO 105 -2.571 8.501 1.250 682 1HD PRO 105 1HD PRO 105 -1.507 8.975 3.868 683 2HD PRO 105 2HD PRO 105 -2.420 10.119 2.876 684 H GLU 106 H GLU 106 -5.927 5.798 4.562 685 HA GLU 106 HA GLU 106 -4.311 5.061 6.827 686 1HB GLU 106 1HB GLU 106 -7.106 4.785 6.010 687 2HB GLU 106 2HB GLU 106 -6.463 3.266 6.655 688 1HG GLU 106 1HG GLU 106 -5.469 4.982 8.499 689 2HG GLU 106 2HG GLU 106 -6.902 5.905 8.015 690 HE2 GLU 106 HE2 GLU 106 -8.920 3.836 9.856 691 H GLY 107 H GLY 107 -2.591 3.726 6.445 692 1HA GLY 107 1HA GLY 107 -2.921 1.633 4.385 693 2HA GLY 107 2HA GLY 107 -1.405 2.375 4.852 694 H VAL 108 H VAL 108 -2.015 -0.490 4.850 695 HA VAL 108 HA VAL 108 -2.091 -1.062 7.723 696 HB VAL 108 HB VAL 108 -3.750 -2.148 6.250 697 1HG1 VAL 108 1HG1 VAL 108 -1.948 -4.110 5.076 698 2HG1 VAL 108 2HG1 VAL 108 -3.232 -3.140 4.314 699 3HG1 VAL 108 3HG1 VAL 108 -1.595 -2.466 4.496 700 1HG2 VAL 108 1HG2 VAL 108 -3.321 -4.485 7.041 701 2HG2 VAL 108 2HG2 VAL 108 -1.706 -3.959 7.575 702 3HG2 VAL 108 3HG2 VAL 108 -3.162 -3.249 8.312 703 H ALA 109 H ALA 109 -0.185 -1.389 8.736 704 HA ALA 109 HA ALA 109 2.234 -1.452 7.306 705 1HB ALA 109 1HB ALA 109 3.065 -1.038 9.362 706 2HB ALA 109 2HB ALA 109 1.379 -1.032 9.934 707 3HB ALA 109 3HB ALA 109 2.347 -2.523 10.031 708 H ILE 110 H ILE 110 2.200 -3.151 5.771 709 HA ILE 110 HA ILE 110 1.539 -5.800 6.547 710 HB ILE 110 HB ILE 110 1.631 -4.486 4.210 711 1HG1 ILE 110 1HG1 ILE 110 1.836 -7.020 3.297 712 2HG1 ILE 110 2HG1 ILE 110 1.503 -7.334 5.009 713 1HG2 ILE 110 1HG2 ILE 110 4.113 -6.216 4.123 714 2HG2 ILE 110 2HG2 ILE 110 3.439 -5.203 2.825 715 3HG2 ILE 110 3HG2 ILE 110 4.134 -4.443 4.275 716 1HD1 ILE 110 1HD1 ILE 110 -0.252 -5.233 4.226 717 2HD1 ILE 110 2HD1 ILE 110 -0.301 -6.438 2.918 718 3HD1 ILE 110 3HD1 ILE 110 -0.681 -6.921 4.589 719 H SER 111 H SER 111 2.735 -7.117 7.800 720 HA SER 111 HA SER 111 5.430 -6.417 8.341 721 1HB SER 111 1HB SER 111 3.402 -7.861 9.628 722 2HB SER 111 2HB SER 111 4.621 -9.090 9.243 723 HG SER 111 HG SER 111 6.202 -7.781 10.340 724 H PHE 112 H PHE 112 5.900 -6.624 5.855 725 HA PHE 112 HA PHE 112 5.892 -8.959 4.480 726 1HB PHE 112 1HB PHE 112 8.076 -7.897 3.477 727 2HB PHE 112 2HB PHE 112 6.615 -6.906 3.426 728 HD1 PHE 112 1HD PHE 112 6.978 -4.693 3.913 729 HD2 PHE 112 2HD PHE 112 9.332 -7.611 5.903 730 HE1 PHE 112 1HE PHE 112 8.186 -2.875 5.149 731 HE2 PHE 112 2HE PHE 112 10.540 -5.791 7.140 732 HZ PHE 112 HZ PHE 112 9.954 -3.445 6.748 733 H ASN 113 H ASN 113 8.202 -10.023 3.748 734 HA ASN 113 HA ASN 113 8.868 -11.673 5.846 735 1HB ASN 113 1HB ASN 113 9.190 -12.277 3.469 736 2HB ASN 113 2HB ASN 113 10.427 -11.025 3.288 737 1HD2 ASN 113 1HD2 ASN 113 12.440 -11.624 3.489 738 2HD2 ASN 113 2HD2 ASN 113 13.041 -13.032 4.300 739 6H NCZ 130 6H NCZ 130 -0.044 13.602 -1.417 740 6H1 NCZ 130 6H1 NCZ 130 -1.021 10.859 -1.293 741 5H1 NCZ 130 5H1 NCZ 130 -1.810 12.402 0.704 742 4H1 NCZ 130 4H1 NCZ 130 0.490 12.722 2.188 743 5H NCZ 130 5H NCZ 130 3.149 12.588 -0.285 744 3H1 NCZ 130 3H1 NCZ 130 2.081 11.152 1.213 745 2H1 NCZ 130 2H1 NCZ 130 1.791 11.297 -1.427 746 2H NCZ 130 2H NCZ 130 0.180 8.046 -4.196 747 8H NCZ 130 8H NCZ 130 -0.713 5.003 -3.685 748 7H NCZ 130 7H NCZ 130 -1.404 4.001 -1.535 749 3H NCZ 130 3H NCZ 130 -0.608 5.033 2.984 750 1H17 NCZ 130 1H17 NCZ 130 1.514 8.658 4.566 751 2H17 NCZ 130 2H17 NCZ 130 2.136 8.744 2.901 752 3H17 NCZ 130 3H17 NCZ 130 0.452 9.202 3.248 753 1H18 NCZ 130 1H18 NCZ 130 -1.416 3.083 0.046 754 2H18 NCZ 130 2H18 NCZ 130 -1.282 3.121 1.820 755 3H18 NCZ 130 3H18 NCZ 130 -2.617 3.971 1.010 756 1H NCZ 130 1H NCZ 130 1.397 8.118 0.875 Start of MODEL 32 1 H ALA 1 H ALA 1 -15.086 -4.170 11.223 2 HA ALA 1 HA ALA 1 -14.420 -6.106 12.553 3 1HB ALA 1 1HB ALA 1 -16.422 -7.344 11.234 4 2HB ALA 1 2HB ALA 1 -15.048 -7.891 10.242 5 3HB ALA 1 3HB ALA 1 -15.075 -8.231 11.988 6 H ALA 2 H ALA 2 -13.888 -4.275 9.895 7 HA ALA 2 HA ALA 2 -11.166 -5.280 9.660 8 1HB ALA 2 1HB ALA 2 -12.991 -6.031 7.776 9 2HB ALA 2 2HB ALA 2 -12.439 -4.482 7.093 10 3HB ALA 2 3HB ALA 2 -11.263 -5.774 7.436 11 HA PRO 3 HA PRO 3 -10.861 -0.927 10.095 12 1HB PRO 3 1HB PRO 3 -8.196 -0.854 10.690 13 2HB PRO 3 2HB PRO 3 -9.449 -1.097 11.906 14 1HG PRO 3 1HG PRO 3 -7.607 -3.039 10.667 15 2HG PRO 3 2HG PRO 3 -8.521 -3.186 12.212 16 1HD PRO 3 1HD PRO 3 -9.067 -4.440 9.696 17 2HD PRO 3 2HD PRO 3 -10.085 -4.487 11.141 18 H THR 4 H THR 4 -11.414 -0.338 7.993 19 HA THR 4 HA THR 4 -11.001 0.307 5.900 20 HB THR 4 HB THR 4 -9.376 2.005 5.806 21 HG1 THR 4 1HG THR 4 -7.808 0.359 7.655 22 1HG2 THR 4 1HG2 THR 4 -9.072 2.992 7.974 23 2HG2 THR 4 2HG2 THR 4 -10.604 2.095 8.110 24 3HG2 THR 4 3HG2 THR 4 -9.108 1.407 8.784 25 H ALA 5 H ALA 5 -8.957 0.310 4.118 26 HA ALA 5 HA ALA 5 -8.901 -2.300 3.250 27 1HB ALA 5 1HB ALA 5 -8.469 -0.672 1.635 28 2HB ALA 5 2HB ALA 5 -7.302 0.191 2.664 29 3HB ALA 5 3HB ALA 5 -6.848 -1.355 1.903 30 H THR 6 H THR 6 -7.979 -4.070 4.145 31 HA THR 6 HA THR 6 -5.309 -3.736 5.324 32 HB THR 6 HB THR 6 -6.317 -5.536 7.034 33 HG1 THR 6 1HG THR 6 -8.631 -5.052 7.251 34 1HG2 THR 6 1HG2 THR 6 -6.545 -2.533 7.008 35 2HG2 THR 6 2HG2 THR 6 -7.521 -3.402 8.216 36 3HG2 THR 6 3HG2 THR 6 -5.753 -3.592 8.198 37 H VAL 7 H VAL 7 -3.911 -5.505 5.117 38 HA VAL 7 HA VAL 7 -4.785 -7.356 3.031 39 HB VAL 7 HB VAL 7 -2.202 -6.178 3.925 40 1HG1 VAL 7 1HG1 VAL 7 -1.804 -8.599 4.153 41 2HG1 VAL 7 2HG1 VAL 7 -2.373 -8.849 2.485 42 3HG1 VAL 7 3HG1 VAL 7 -0.891 -7.908 2.791 43 1HG2 VAL 7 1HG2 VAL 7 -3.514 -6.771 1.258 44 2HG2 VAL 7 2HG2 VAL 7 -3.237 -5.183 2.015 45 3HG2 VAL 7 3HG2 VAL 7 -1.858 -6.141 1.421 46 H THR 8 H THR 8 -5.568 -9.280 3.705 47 HA THR 8 HA THR 8 -5.455 -10.217 6.294 48 HB THR 8 HB THR 8 -6.062 -11.305 3.555 49 HG1 THR 8 1HG THR 8 -8.004 -11.808 4.964 50 1HG2 THR 8 1HG2 THR 8 -4.761 -13.159 4.815 51 2HG2 THR 8 2HG2 THR 8 -6.051 -13.085 6.040 52 3HG2 THR 8 3HG2 THR 8 -6.439 -13.555 4.367 53 HA PRO 9 HA PRO 9 -1.741 -12.865 5.337 54 1HB PRO 9 1HB PRO 9 -0.752 -13.113 2.802 55 2HB PRO 9 2HB PRO 9 -1.919 -14.235 3.496 56 1HG PRO 9 1HG PRO 9 -2.309 -12.061 1.540 57 2HG PRO 9 2HG PRO 9 -3.370 -13.479 1.869 58 1HD PRO 9 1HD PRO 9 -3.751 -10.751 2.651 59 2HD PRO 9 2HD PRO 9 -4.740 -12.136 3.135 60 H SER 10 H SER 10 -1.567 -10.416 6.239 61 HA SER 10 HA SER 10 0.518 -9.107 4.764 62 1HB SER 10 1HB SER 10 0.319 -7.480 6.789 63 2HB SER 10 2HB SER 10 -1.024 -7.559 5.636 64 HG SER 10 HG SER 10 -2.219 -8.802 7.099 65 H SER 11 H SER 11 0.749 -11.818 6.307 66 HA SER 11 HA SER 11 2.963 -10.985 8.013 67 1HB SER 11 1HB SER 11 2.578 -12.874 9.397 68 2HB SER 11 2HB SER 11 0.963 -12.217 9.071 69 HG SER 11 HG SER 11 1.341 -13.925 7.109 70 H GLY 12 H GLY 12 5.013 -11.913 7.654 71 1HA GLY 12 1HA GLY 12 6.649 -12.813 6.389 72 2HA GLY 12 2HA GLY 12 5.647 -14.250 6.401 73 H LEU 13 H LEU 13 5.065 -11.011 4.871 74 HA LEU 13 HA LEU 13 3.869 -11.883 2.614 75 1HB LEU 13 1HB LEU 13 4.576 -9.806 1.583 76 2HB LEU 13 2HB LEU 13 4.006 -9.567 3.246 77 HG LEU 13 HG LEU 13 6.333 -9.364 4.005 78 1HD1 LEU 13 1HD1 LEU 13 7.629 -10.682 2.596 79 2HD1 LEU 13 2HD1 LEU 13 6.950 -9.956 1.119 80 3HD1 LEU 13 3HD1 LEU 13 8.077 -9.023 2.131 81 1HD2 LEU 13 1HD2 LEU 13 5.626 -7.518 1.708 82 2HD2 LEU 13 2HD2 LEU 13 5.118 -7.348 3.405 83 3HD2 LEU 13 3HD2 LEU 13 6.836 -7.189 2.970 84 H SER 14 H SER 14 4.824 -11.756 0.277 85 HA SER 14 HA SER 14 7.486 -12.886 0.233 86 1HB SER 14 1HB SER 14 5.365 -14.583 0.180 87 2HB SER 14 2HB SER 14 5.507 -14.236 -1.552 88 HG SER 14 HG SER 14 7.845 -14.805 -1.274 89 H ASP 15 H ASP 15 8.601 -12.502 -1.777 90 HA ASP 15 HA ASP 15 8.174 -10.207 -3.017 91 1HB ASP 15 1HB ASP 15 10.175 -11.405 -3.480 92 2HB ASP 15 2HB ASP 15 9.298 -12.827 -4.071 93 HD2 ASP 15 HD2 ASP 15 8.958 -9.964 -6.734 94 H GLY 16 H GLY 16 5.973 -9.711 -3.575 95 1HA GLY 16 1HA GLY 16 4.301 -9.538 -5.105 96 2HA GLY 16 2HA GLY 16 5.031 -10.812 -6.062 97 H THR 17 H THR 17 3.675 -10.556 -2.689 98 HA THR 17 HA THR 17 2.428 -13.162 -3.070 99 HB THR 17 HB THR 17 3.267 -11.389 -0.794 100 HG1 THR 17 1HG THR 17 2.956 -14.274 -1.231 101 1HG2 THR 17 1HG2 THR 17 1.261 -11.679 0.312 102 2HG2 THR 17 2HG2 THR 17 0.698 -12.900 -0.855 103 3HG2 THR 17 3HG2 THR 17 1.792 -13.371 0.468 104 H VAL 18 H VAL 18 0.413 -13.404 -3.780 105 HA VAL 18 HA VAL 18 -1.237 -11.111 -4.132 106 HB VAL 18 HB VAL 18 -2.276 -13.894 -4.360 107 1HG1 VAL 18 1HG1 VAL 18 -2.707 -11.240 -5.602 108 2HG1 VAL 18 2HG1 VAL 18 -2.801 -12.630 -6.710 109 3HG1 VAL 18 3HG1 VAL 18 -3.856 -12.559 -5.276 110 1HG2 VAL 18 1HG2 VAL 18 0.145 -12.870 -5.751 111 2HG2 VAL 18 2HG2 VAL 18 -0.342 -14.538 -5.367 112 3HG2 VAL 18 3HG2 VAL 18 -1.063 -13.699 -6.761 113 H VAL 19 H VAL 19 -1.946 -10.129 -2.268 114 HA VAL 19 HA VAL 19 -3.156 -11.896 -0.261 115 HB VAL 19 HB VAL 19 -2.732 -10.191 1.333 116 1HG1 VAL 19 1HG1 VAL 19 -0.463 -10.428 1.509 117 2HG1 VAL 19 2HG1 VAL 19 -0.770 -11.626 0.229 118 3HG1 VAL 19 3HG1 VAL 19 -0.170 -10.003 -0.193 119 1HG2 VAL 19 1HG2 VAL 19 -1.803 -8.421 -0.954 120 2HG2 VAL 19 2HG2 VAL 19 -3.321 -8.240 -0.042 121 3HG2 VAL 19 3HG2 VAL 19 -1.758 -8.010 0.776 122 H LYS 20 H LYS 20 -4.971 -10.477 1.008 123 HA LYS 20 HA LYS 20 -6.707 -9.416 -1.113 124 1HB LYS 20 1HB LYS 20 -7.176 -11.417 1.021 125 2HB LYS 20 2HB LYS 20 -8.482 -10.256 0.733 126 1HG LYS 20 1HG LYS 20 -8.011 -10.864 -1.810 127 2HG LYS 20 2HG LYS 20 -7.312 -12.339 -1.116 128 1HD LYS 20 1HD LYS 20 -9.485 -13.053 -1.312 129 2HD LYS 20 2HD LYS 20 -9.637 -12.276 0.273 130 1HE LYS 20 1HE LYS 20 -10.849 -10.502 -0.570 131 2HE LYS 20 2HE LYS 20 -10.029 -10.531 -2.137 132 1HZ LYS 20 1HZ LYS 20 -11.501 -11.992 -2.920 133 2HZ LYS 20 2HZ LYS 20 -11.637 -12.829 -1.524 134 3HZ LYS 20 3HZ LYS 20 -12.469 -11.439 -1.729 135 H VAL 21 H VAL 21 -6.990 -7.265 -0.937 136 HA VAL 21 HA VAL 21 -6.467 -6.029 1.634 137 HB VAL 21 HB VAL 21 -7.255 -4.532 -0.828 138 1HG1 VAL 21 1HG1 VAL 21 -4.909 -3.841 0.883 139 2HG1 VAL 21 2HG1 VAL 21 -6.120 -2.787 0.115 140 3HG1 VAL 21 3HG1 VAL 21 -6.530 -3.678 1.602 141 1HG2 VAL 21 1HG2 VAL 21 -5.751 -5.747 -2.023 142 2HG2 VAL 21 2HG2 VAL 21 -4.588 -4.667 -1.217 143 3HG2 VAL 21 3HG2 VAL 21 -4.878 -6.302 -0.574 144 H ALA 22 H ALA 22 -8.253 -6.603 2.922 145 HA ALA 22 HA ALA 22 -10.898 -6.053 1.868 146 1HB ALA 22 1HB ALA 22 -10.395 -8.117 3.176 147 2HB ALA 22 2HB ALA 22 -9.998 -7.101 4.583 148 3HB ALA 22 3HB ALA 22 -11.656 -7.114 3.933 149 H GLY 23 H GLY 23 -11.547 -3.954 1.860 150 1HA GLY 23 1HA GLY 23 -10.683 -2.252 4.113 151 2HA GLY 23 2HA GLY 23 -11.089 -1.693 2.505 152 H ALA 24 H ALA 24 -12.213 -1.408 5.481 153 HA ALA 24 HA ALA 24 -14.999 -1.493 4.595 154 1HB ALA 24 1HB ALA 24 -15.398 -2.210 7.119 155 2HB ALA 24 2HB ALA 24 -15.044 -3.431 5.871 156 3HB ALA 24 3HB ALA 24 -13.754 -2.871 6.960 157 H GLY 25 H GLY 25 -15.407 0.676 4.472 158 1HA GLY 25 1HA GLY 25 -16.061 2.631 5.526 159 2HA GLY 25 2HA GLY 25 -15.106 2.214 6.937 160 H LEU 26 H LEU 26 -13.879 2.018 3.572 161 HA LEU 26 HA LEU 26 -11.922 4.066 4.295 162 1HB LEU 26 1HB LEU 26 -11.089 1.865 3.677 163 2HB LEU 26 2HB LEU 26 -11.893 1.988 2.101 164 HG LEU 26 HG LEU 26 -10.431 3.792 1.446 165 1HD1 LEU 26 1HD1 LEU 26 -8.457 4.299 3.087 166 2HD1 LEU 26 2HD1 LEU 26 -10.019 5.129 3.274 167 3HD1 LEU 26 3HD1 LEU 26 -9.609 3.755 4.329 168 1HD2 LEU 26 1HD2 LEU 26 -9.676 1.402 1.231 169 2HD2 LEU 26 2HD2 LEU 26 -8.373 2.615 1.240 170 3HD2 LEU 26 3HD2 LEU 26 -8.699 1.653 2.700 171 H GLN 27 H GLN 27 -12.440 3.328 0.921 172 HA GLN 27 HA GLN 27 -12.667 5.845 0.094 173 1HB GLN 27 1HB GLN 27 -13.994 3.352 -1.022 174 2HB GLN 27 2HB GLN 27 -13.948 4.889 -1.905 175 1HG GLN 27 1HG GLN 27 -11.894 4.352 -2.651 176 2HG GLN 27 2HG GLN 27 -11.288 4.381 -0.988 177 1HE2 GLN 27 1HE2 GLN 27 -10.795 2.538 0.026 178 2HE2 GLN 27 2HE2 GLN 27 -10.940 0.947 -0.645 179 H ALA 28 H ALA 28 -15.094 4.004 1.827 180 HA ALA 28 HA ALA 28 -17.065 4.570 2.660 181 1HB ALA 28 1HB ALA 28 -17.572 7.233 2.127 182 2HB ALA 28 2HB ALA 28 -16.669 6.620 3.533 183 3HB ALA 28 3HB ALA 28 -15.795 7.170 2.083 184 H GLY 29 H GLY 29 -16.502 3.823 -0.276 185 1HA GLY 29 1HA GLY 29 -18.285 3.067 -1.655 186 2HA GLY 29 2HA GLY 29 -19.203 4.504 -1.250 187 H THR 30 H THR 30 -16.028 5.546 -1.555 188 HA THR 30 HA THR 30 -16.563 6.518 -4.250 189 HB THR 30 HB THR 30 -14.153 7.314 -2.626 190 HG1 THR 30 1HG THR 30 -16.956 8.037 -2.133 191 1HG2 THR 30 1HG2 THR 30 -16.008 9.421 -3.396 192 2HG2 THR 30 2HG2 THR 30 -14.331 9.174 -3.939 193 3HG2 THR 30 3HG2 THR 30 -15.674 8.386 -4.804 194 H ALA 31 H ALA 31 -13.864 6.962 -5.050 195 HA ALA 31 HA ALA 31 -12.835 4.230 -5.268 196 1HB ALA 31 1HB ALA 31 -14.353 5.218 -7.251 197 2HB ALA 31 2HB ALA 31 -12.804 5.968 -7.704 198 3HB ALA 31 3HB ALA 31 -12.928 4.198 -7.565 199 H TYR 32 H TYR 32 -10.554 4.108 -5.500 200 HA TYR 32 HA TYR 32 -9.077 6.585 -5.712 201 1HB TYR 32 1HB TYR 32 -9.319 4.751 -3.274 202 2HB TYR 32 2HB TYR 32 -7.852 5.707 -3.510 203 HD1 TYR 32 1HD TYR 32 -9.960 5.791 -1.202 204 HD2 TYR 32 2HD TYR 32 -9.366 8.150 -4.722 205 HE1 TYR 32 1HE TYR 32 -11.083 7.773 -0.073 206 HE2 TYR 32 2HE TYR 32 -10.490 10.124 -3.579 207 HH TYR 32 HH TYR 32 -12.391 9.872 -1.007 208 H ASP 33 H ASP 33 -6.579 5.617 -4.832 209 HA ASP 33 HA ASP 33 -6.229 3.387 -6.677 210 1HB ASP 33 1HB ASP 33 -4.769 5.947 -6.265 211 2HB ASP 33 2HB ASP 33 -3.728 4.530 -6.474 212 HD2 ASP 33 HD2 ASP 33 -4.109 4.729 -9.849 213 H VAL 34 H VAL 34 -5.472 1.527 -5.651 214 HA VAL 34 HA VAL 34 -4.585 1.757 -2.910 215 HB VAL 34 HB VAL 34 -6.148 -0.015 -4.225 216 1HG1 VAL 34 1HG1 VAL 34 -3.678 -1.668 -3.828 217 2HG1 VAL 34 2HG1 VAL 34 -5.094 -1.960 -4.866 218 3HG1 VAL 34 3HG1 VAL 34 -3.870 -0.761 -5.348 219 1HG2 VAL 34 1HG2 VAL 34 -4.642 -1.244 -1.995 220 2HG2 VAL 34 2HG2 VAL 34 -5.304 0.375 -1.661 221 3HG2 VAL 34 3HG2 VAL 34 -6.385 -0.940 -2.178 222 H GLY 35 H GLY 35 -2.517 1.245 -2.137 223 1HA GLY 35 1HA GLY 35 -0.486 0.124 -3.765 224 2HA GLY 35 2HA GLY 35 -0.344 1.870 -3.746 225 H GLN 36 H GLN 36 1.515 -0.113 -2.583 226 HA GLN 36 HA GLN 36 1.076 0.194 0.247 227 1HB GLN 36 1HB GLN 36 2.948 -1.333 0.515 228 2HB GLN 36 2HB GLN 36 1.848 -1.991 -0.707 229 1HG GLN 36 1HG GLN 36 3.751 -0.276 -2.017 230 2HG GLN 36 2HG GLN 36 4.647 -1.376 -0.960 231 1HE2 GLN 36 1HE2 GLN 36 4.649 -1.306 -3.814 232 2HE2 GLN 36 2HE2 GLN 36 4.049 -2.820 -4.404 233 H CYS 37 H CYS 37 1.273 2.630 0.011 234 HA CYS 37 HA CYS 37 3.888 3.614 -0.624 235 1HB CYS 37 1HB CYS 37 1.728 4.792 -1.135 236 2HB CYS 37 2HB CYS 37 1.576 5.132 0.591 237 H ALA 38 H ALA 38 5.270 4.745 0.959 238 HA ALA 38 HA ALA 38 4.700 4.876 3.677 239 1HB ALA 38 1HB ALA 38 4.757 2.600 4.055 240 2HB ALA 38 2HB ALA 38 5.863 2.290 2.695 241 3HB ALA 38 3HB ALA 38 6.492 2.967 4.216 242 H TRP 39 H TRP 39 6.699 5.499 4.936 243 HA TRP 39 HA TRP 39 8.279 7.228 3.343 244 1HB TRP 39 1HB TRP 39 9.495 7.565 5.536 245 2HB TRP 39 2HB TRP 39 7.786 8.002 5.479 246 HD1 TRP 39 HD TRP 39 6.106 6.464 6.978 247 HE1 TRP 39 1HE TRP 39 6.425 4.795 8.998 248 HE3 TRP 39 3HE TRP 39 11.121 5.870 6.378 249 HZ2 TRP 39 2HZ TRP 39 8.688 3.445 10.092 250 HZ3 TRP 39 3HZ TRP 39 12.309 4.359 7.965 251 HH2 TRP 39 HH TRP 39 11.175 3.168 9.772 252 H VAL 40 H VAL 40 9.851 6.461 1.989 253 HA VAL 40 HA VAL 40 11.282 4.051 2.823 254 HB VAL 40 HB VAL 40 10.037 4.533 0.523 255 1HG1 VAL 40 1HG1 VAL 40 11.272 6.501 -0.116 256 2HG1 VAL 40 2HG1 VAL 40 12.825 5.658 0.103 257 3HG1 VAL 40 3HG1 VAL 40 11.726 5.173 -1.212 258 1HG2 VAL 40 1HG2 VAL 40 11.208 2.446 1.258 259 2HG2 VAL 40 2HG2 VAL 40 11.363 2.788 -0.481 260 3HG2 VAL 40 3HG2 VAL 40 12.723 3.124 0.615 261 H ASP 41 H ASP 41 11.767 7.418 1.586 262 HA ASP 41 HA ASP 41 14.567 7.219 2.010 263 1HB ASP 41 1HB ASP 41 12.807 8.897 0.587 264 2HB ASP 41 2HB ASP 41 13.503 9.950 1.828 265 HD2 ASP 41 HD2 ASP 41 15.727 8.776 -1.213 266 H THR 42 H THR 42 15.144 9.798 3.145 267 HA THR 42 HA THR 42 14.893 9.256 5.890 268 HB THR 42 HB THR 42 15.744 11.666 4.219 269 HG1 THR 42 1HG THR 42 16.935 9.515 4.441 270 1HG2 THR 42 1HG2 THR 42 16.235 12.895 6.113 271 2HG2 THR 42 2HG2 THR 42 14.934 11.930 6.856 272 3HG2 THR 42 3HG2 THR 42 16.634 11.441 7.058 273 H GLY 43 H GLY 43 12.564 8.812 6.060 274 1HA GLY 43 1HA GLY 43 10.558 9.427 6.877 275 2HA GLY 43 2HA GLY 43 11.210 11.023 7.186 276 H VAL 44 H VAL 44 11.388 9.658 3.916 277 HA VAL 44 HA VAL 44 9.440 11.676 3.080 278 HB VAL 44 HB VAL 44 11.554 10.190 1.508 279 1HG1 VAL 44 1HG1 VAL 44 10.599 12.679 0.356 280 2HG1 VAL 44 2HG1 VAL 44 10.688 11.053 -0.362 281 3HG1 VAL 44 3HG1 VAL 44 9.263 11.526 0.597 282 1HG2 VAL 44 1HG2 VAL 44 12.305 11.868 3.323 283 2HG2 VAL 44 2HG2 VAL 44 12.950 12.068 1.676 284 3HG2 VAL 44 3HG2 VAL 44 11.630 13.117 2.249 285 H LEU 45 H LEU 45 7.407 10.948 2.754 286 HA LEU 45 HA LEU 45 6.802 8.216 2.638 287 1HB LEU 45 1HB LEU 45 5.461 10.630 2.962 288 2HB LEU 45 2HB LEU 45 4.763 9.921 1.495 289 HG LEU 45 HG LEU 45 3.450 9.311 3.425 290 1HD1 LEU 45 1HD1 LEU 45 5.013 7.148 2.058 291 2HD1 LEU 45 2HD1 LEU 45 3.854 6.728 3.343 292 3HD1 LEU 45 3HD1 LEU 45 3.298 7.599 1.894 293 1HD2 LEU 45 1HD2 LEU 45 5.319 9.583 5.081 294 2HD2 LEU 45 2HD2 LEU 45 4.280 8.162 5.339 295 3HD2 LEU 45 3HD2 LEU 45 5.890 7.964 4.606 296 H ALA 46 H ALA 46 7.821 7.046 1.031 297 HA ALA 46 HA ALA 46 7.426 8.029 -1.707 298 1HB ALA 46 1HB ALA 46 9.394 5.965 -0.636 299 2HB ALA 46 2HB ALA 46 9.343 6.636 -2.283 300 3HB ALA 46 3HB ALA 46 9.772 7.684 -0.909 301 H CYS 47 H CYS 47 6.228 6.833 -3.156 302 HA CYS 47 HA CYS 47 5.042 4.401 -2.045 303 1HB CYS 47 1HB CYS 47 3.902 5.841 -4.401 304 2HB CYS 47 2HB CYS 47 3.094 4.822 -3.206 305 H ASN 48 H ASN 48 4.945 2.505 -3.428 306 HA ASN 48 HA ASN 48 7.167 2.366 -5.184 307 1HB ASN 48 1HB ASN 48 4.993 0.257 -4.884 308 2HB ASN 48 2HB ASN 48 6.704 0.002 -5.259 309 1HD2 ASN 48 1HD2 ASN 48 7.335 2.169 -3.236 310 2HD2 ASN 48 2HD2 ASN 48 7.268 1.390 -1.690 311 HA PRO 49 HA PRO 49 4.928 2.779 -8.934 312 1HB PRO 49 1HB PRO 49 6.150 1.024 -10.631 313 2HB PRO 49 2HB PRO 49 6.821 2.602 -10.231 314 1HG PRO 49 1HG PRO 49 7.589 -0.082 -9.277 315 2HG PRO 49 2HG PRO 49 8.555 1.437 -9.253 316 1HD PRO 49 1HD PRO 49 7.223 0.137 -7.073 317 2HD PRO 49 2HD PRO 49 8.027 1.711 -7.031 318 H ALA 50 H ALA 50 4.858 -0.175 -7.318 319 HA ALA 50 HA ALA 50 2.751 -1.158 -9.088 320 1HB ALA 50 1HB ALA 50 3.618 -3.170 -8.602 321 2HB ALA 50 2HB ALA 50 4.885 -2.360 -7.651 322 3HB ALA 50 3HB ALA 50 3.381 -2.890 -6.862 323 H ASP 51 H ASP 51 2.900 1.087 -6.767 324 HA ASP 51 HA ASP 51 0.863 0.031 -5.050 325 1HB ASP 51 1HB ASP 51 1.639 1.595 -3.622 326 2HB ASP 51 2HB ASP 51 2.875 1.990 -4.826 327 HD2 ASP 51 HD2 ASP 51 0.405 4.745 -3.845 328 H PHE 52 H PHE 52 0.642 0.765 -8.124 329 HA PHE 52 HA PHE 52 -1.557 2.687 -7.882 330 1HB PHE 52 1HB PHE 52 -0.008 1.660 -10.326 331 2HB PHE 52 2HB PHE 52 -1.090 3.057 -10.301 332 HD1 PHE 52 1HD PHE 52 2.087 2.468 -10.851 333 HD2 PHE 52 2HD PHE 52 -0.214 4.494 -7.914 334 HE1 PHE 52 1HE PHE 52 4.044 3.955 -10.341 335 HE2 PHE 52 2HE PHE 52 1.744 5.981 -7.407 336 HZ PHE 52 HZ PHE 52 3.849 5.695 -8.625 337 H SER 53 H SER 53 -3.232 1.241 -7.258 338 HA SER 53 HA SER 53 -4.043 -0.481 -9.448 339 1HB SER 53 1HB SER 53 -2.990 -1.458 -7.025 340 2HB SER 53 2HB SER 53 -4.741 -1.676 -6.875 341 HG SER 53 HG SER 53 -3.453 -3.464 -7.914 342 H SER 54 H SER 54 -5.564 1.274 -9.905 343 HA SER 54 HA SER 54 -7.156 2.558 -8.200 344 1HB SER 54 1HB SER 54 -8.702 2.889 -10.028 345 2HB SER 54 2HB SER 54 -7.064 2.839 -10.702 346 HG SER 54 HG SER 54 -7.796 1.288 -11.974 347 H VAL 55 H VAL 55 -8.798 2.051 -6.776 348 HA VAL 55 HA VAL 55 -10.325 -0.379 -7.250 349 HB VAL 55 HB VAL 55 -8.374 0.063 -5.061 350 1HG1 VAL 55 1HG1 VAL 55 -9.636 -1.273 -3.448 351 2HG1 VAL 55 2HG1 VAL 55 -10.521 0.218 -3.856 352 3HG1 VAL 55 3HG1 VAL 55 -11.023 -1.336 -4.562 353 1HG2 VAL 55 1HG2 VAL 55 -7.646 -1.747 -6.193 354 2HG2 VAL 55 2HG2 VAL 55 -8.868 -2.624 -5.242 355 3HG2 VAL 55 3HG2 VAL 55 -9.247 -2.080 -6.895 356 H THR 56 H THR 56 -12.272 -0.456 -5.748 357 HA THR 56 HA THR 56 -12.983 2.173 -4.695 358 HB THR 56 HB THR 56 -13.920 1.032 -7.214 359 HG1 THR 56 1HG THR 56 -14.751 3.343 -5.615 360 1HG2 THR 56 1HG2 THR 56 -16.365 1.601 -6.755 361 2HG2 THR 56 2HG2 THR 56 -15.828 0.086 -5.992 362 3HG2 THR 56 3HG2 THR 56 -15.986 1.567 -5.018 363 H ALA 57 H ALA 57 -14.681 2.141 -3.125 364 HA ALA 57 HA ALA 57 -14.977 -0.540 -1.967 365 1HB ALA 57 1HB ALA 57 -13.800 1.440 -0.743 366 2HB ALA 57 2HB ALA 57 -15.448 2.075 -0.522 367 3HB ALA 57 3HB ALA 57 -15.010 0.487 0.148 368 H ASP 58 H ASP 58 -17.063 -1.227 -1.232 369 HA ASP 58 HA ASP 58 -19.121 -0.495 -2.913 370 1HB ASP 58 1HB ASP 58 -19.670 -1.635 -0.176 371 2HB ASP 58 2HB ASP 58 -20.415 -2.068 -1.723 372 HD2 ASP 58 HD2 ASP 58 -18.080 -4.665 -0.610 373 H ALA 59 H ALA 59 -21.301 0.456 -2.177 374 HA ALA 59 HA ALA 59 -21.191 2.970 -1.312 375 1HB ALA 59 1HB ALA 59 -23.579 2.220 -0.231 376 2HB ALA 59 2HB ALA 59 -23.309 2.456 -1.975 377 3HB ALA 59 3HB ALA 59 -23.243 0.821 -1.276 378 H ASN 60 H ASN 60 -20.982 0.041 0.709 379 HA ASN 60 HA ASN 60 -21.157 1.617 3.100 380 1HB ASN 60 1HB ASN 60 -21.767 -1.008 2.493 381 2HB ASN 60 2HB ASN 60 -20.192 -1.207 3.274 382 1HD2 ASN 60 1HD2 ASN 60 -20.644 -1.957 5.217 383 2HD2 ASN 60 2HD2 ASN 60 -21.703 -1.238 6.383 384 H GLY 61 H GLY 61 -18.988 2.293 1.261 385 1HA GLY 61 1HA GLY 61 -16.737 2.447 1.085 386 2HA GLY 61 2HA GLY 61 -16.828 2.657 2.823 387 H SER 62 H SER 62 -17.684 -0.343 1.018 388 HA SER 62 HA SER 62 -15.582 -1.654 2.533 389 1HB SER 62 1HB SER 62 -18.105 -2.688 1.193 390 2HB SER 62 2HB SER 62 -16.871 -3.766 1.871 391 HG SER 62 HG SER 62 -18.733 -3.209 3.302 392 H ALA 63 H ALA 63 -13.714 -1.473 1.273 393 HA ALA 63 HA ALA 63 -13.973 -2.259 -1.545 394 1HB ALA 63 1HB ALA 63 -11.493 -1.180 -1.353 395 2HB ALA 63 2HB ALA 63 -12.951 -0.217 -1.690 396 3HB ALA 63 3HB ALA 63 -12.305 -0.301 -0.034 397 H SER 64 H SER 64 -13.976 -4.536 -1.211 398 HA SER 64 HA SER 64 -11.652 -5.568 0.179 399 1HB SER 64 1HB SER 64 -12.933 -7.802 -0.274 400 2HB SER 64 2HB SER 64 -13.556 -6.694 0.961 401 HG SER 64 HG SER 64 -14.458 -6.695 -1.787 402 H THR 65 H THR 65 -10.199 -4.848 -1.619 403 HA THR 65 HA THR 65 -10.445 -6.594 -3.980 404 HB THR 65 HB THR 65 -9.390 -4.804 -5.225 405 HG1 THR 65 1HG THR 65 -9.094 -3.584 -2.572 406 1HG2 THR 65 1HG2 THR 65 -11.808 -4.317 -3.938 407 2HG2 THR 65 2HG2 THR 65 -10.817 -2.942 -3.392 408 3HG2 THR 65 3HG2 THR 65 -11.067 -3.224 -5.132 409 H SER 66 H SER 66 -8.635 -7.726 -4.741 410 HA SER 66 HA SER 66 -6.696 -8.145 -2.635 411 1HB SER 66 1HB SER 66 -6.184 -10.230 -3.729 412 2HB SER 66 2HB SER 66 -7.950 -10.082 -3.671 413 HG SER 66 HG SER 66 -6.185 -10.098 -5.870 414 H LEU 67 H LEU 67 -4.377 -8.123 -3.086 415 HA LEU 67 HA LEU 67 -3.562 -7.109 -5.669 416 1HB LEU 67 1HB LEU 67 -4.049 -5.361 -3.519 417 2HB LEU 67 2HB LEU 67 -2.289 -5.484 -3.684 418 HG LEU 67 HG LEU 67 -3.153 -3.598 -4.942 419 1HD1 LEU 67 1HD1 LEU 67 -1.277 -5.222 -5.808 420 2HD1 LEU 67 2HD1 LEU 67 -2.459 -5.561 -7.095 421 3HD1 LEU 67 3HD1 LEU 67 -1.883 -3.897 -6.831 422 1HD2 LEU 67 1HD2 LEU 67 -5.424 -4.878 -5.317 423 2HD2 LEU 67 2HD2 LEU 67 -4.866 -3.636 -6.464 424 3HD2 LEU 67 3HD2 LEU 67 -4.647 -5.360 -6.844 425 H THR 68 H THR 68 -1.143 -7.148 -5.878 426 HA THR 68 HA THR 68 -0.124 -9.397 -4.308 427 HB THR 68 HB THR 68 -0.185 -9.469 -6.842 428 HG1 THR 68 1HG THR 68 1.802 -10.503 -6.664 429 1HG2 THR 68 1HG2 THR 68 1.890 -7.239 -6.498 430 2HG2 THR 68 2HG2 THR 68 1.644 -8.166 -7.999 431 3HG2 THR 68 3HG2 THR 68 0.350 -7.111 -7.382 432 H VAL 69 H VAL 69 1.431 -9.224 -2.806 433 HA VAL 69 HA VAL 69 2.397 -6.551 -2.259 434 HB VAL 69 HB VAL 69 2.765 -9.176 -0.800 435 1HG1 VAL 69 1HG1 VAL 69 4.284 -6.907 -0.516 436 2HG1 VAL 69 2HG1 VAL 69 3.008 -6.651 0.699 437 3HG1 VAL 69 3HG1 VAL 69 4.009 -8.122 0.754 438 1HG2 VAL 69 1HG2 VAL 69 0.387 -8.264 -1.046 439 2HG2 VAL 69 2HG2 VAL 69 0.967 -8.568 0.609 440 3HG2 VAL 69 3HG2 VAL 69 0.920 -6.906 -0.025 441 H ARG 70 H ARG 70 3.824 -6.127 -4.005 442 HA ARG 70 HA ARG 70 5.917 -8.029 -4.451 443 1HB ARG 70 1HB ARG 70 5.749 -5.258 -5.678 444 2HB ARG 70 2HB ARG 70 6.471 -6.719 -6.377 445 1HG ARG 70 1HG ARG 70 3.979 -7.638 -6.157 446 2HG ARG 70 2HG ARG 70 3.569 -5.913 -6.172 447 1HD ARG 70 1HD ARG 70 3.524 -6.372 -8.448 448 2HD ARG 70 2HD ARG 70 5.219 -5.894 -8.280 449 HE ARG 70 HE ARG 70 5.077 -8.680 -7.780 450 1HH1 ARG 70 1HH1 ARG 70 4.504 -6.470 -10.457 451 2HH1 ARG 70 2HH1 ARG 70 4.889 -7.640 -11.674 452 1HH2 ARG 70 1HH2 ARG 70 5.586 -10.225 -9.384 453 2HH2 ARG 70 2HH2 ARG 70 5.508 -9.791 -11.060 454 H ARG 71 H ARG 71 6.510 -7.581 -1.999 455 HA ARG 71 HA ARG 71 7.385 -5.432 -0.875 456 1HB ARG 71 1HB ARG 71 7.753 -7.528 0.220 457 2HB ARG 71 2HB ARG 71 8.826 -8.110 -1.065 458 1HG ARG 71 1HG ARG 71 10.590 -6.667 -0.385 459 2HG ARG 71 2HG ARG 71 9.515 -5.660 0.599 460 1HD ARG 71 1HD ARG 71 10.992 -7.228 1.923 461 2HD ARG 71 2HD ARG 71 9.264 -7.436 2.246 462 HE ARG 71 HE ARG 71 9.820 -9.223 0.177 463 1HH1 ARG 71 1HH1 ARG 71 11.075 -8.701 3.423 464 2HH1 ARG 71 2HH1 ARG 71 11.498 -10.364 3.664 465 1HH2 ARG 71 1HH2 ARG 71 10.379 -11.414 0.493 466 2HH2 ARG 71 2HH2 ARG 71 11.101 -11.918 1.986 467 H SER 72 H SER 72 9.099 -7.092 -3.572 468 HA SER 72 HA SER 72 11.236 -5.187 -3.460 469 1HB SER 72 1HB SER 72 12.019 -6.461 -5.522 470 2HB SER 72 2HB SER 72 11.881 -7.422 -4.041 471 HG SER 72 HG SER 72 10.157 -8.502 -4.858 472 H PHE 73 H PHE 73 10.855 -3.149 -4.261 473 HA PHE 73 HA PHE 73 9.882 -2.917 -6.949 474 1HB PHE 73 1HB PHE 73 8.195 -1.111 -5.920 475 2HB PHE 73 2HB PHE 73 7.715 -2.809 -5.956 476 HD1 PHE 73 1HD PHE 73 9.901 -0.813 -3.672 477 HD2 PHE 73 2HD PHE 73 6.495 -3.312 -4.072 478 HE1 PHE 73 1HE PHE 73 9.567 -0.755 -1.185 479 HE2 PHE 73 2HE PHE 73 6.162 -3.255 -1.586 480 HZ PHE 73 HZ PHE 73 7.701 -1.978 -0.171 481 H GLU 74 H GLU 74 9.926 -0.538 -7.661 482 HA GLU 74 HA GLU 74 12.238 0.645 -6.391 483 1HB GLU 74 1HB GLU 74 12.137 0.199 -8.884 484 2HB GLU 74 2HB GLU 74 10.902 1.462 -9.003 485 1HG GLU 74 1HG GLU 74 12.463 3.129 -8.150 486 2HG GLU 74 2HG GLU 74 13.680 1.889 -7.812 487 HE2 GLU 74 HE2 GLU 74 14.900 2.214 -10.995 488 H GLY 75 H GLY 75 11.127 1.482 -4.492 489 1HA GLY 75 1HA GLY 75 8.846 2.952 -4.357 490 2HA GLY 75 2HA GLY 75 10.255 3.224 -3.354 491 H PHE 76 H PHE 76 8.431 5.291 -4.227 492 HA PHE 76 HA PHE 76 10.333 6.896 -5.764 493 1HB PHE 76 1HB PHE 76 8.776 6.652 -7.477 494 2HB PHE 76 2HB PHE 76 7.539 6.036 -6.377 495 HD1 PHE 76 1HD PHE 76 6.060 7.611 -5.195 496 HD2 PHE 76 2HD PHE 76 8.881 8.964 -8.061 497 HE1 PHE 76 1HE PHE 76 4.855 9.807 -5.345 498 HE2 PHE 76 2HE PHE 76 7.677 11.160 -8.212 499 HZ PHE 76 HZ PHE 76 5.677 11.555 -6.852 500 H LEU 77 H LEU 77 10.808 8.760 -4.701 501 HA LEU 77 HA LEU 77 9.644 9.395 -2.265 502 1HB LEU 77 1HB LEU 77 11.154 11.187 -4.161 503 2HB LEU 77 2HB LEU 77 10.901 11.466 -2.428 504 HG LEU 77 HG LEU 77 12.094 8.952 -2.549 505 1HD1 LEU 77 1HD1 LEU 77 12.730 9.045 -4.811 506 2HD1 LEU 77 2HD1 LEU 77 13.230 10.749 -4.693 507 3HD1 LEU 77 3HD1 LEU 77 14.194 9.483 -3.895 508 1HD2 LEU 77 1HD2 LEU 77 13.045 11.724 -1.883 509 2HD2 LEU 77 2HD2 LEU 77 12.712 10.342 -0.809 510 3HD2 LEU 77 3HD2 LEU 77 14.174 10.346 -1.828 511 H PHE 78 H PHE 78 8.254 11.173 -1.629 512 HA PHE 78 HA PHE 78 6.028 11.411 -3.359 513 1HB PHE 78 1HB PHE 78 5.096 12.095 -1.351 514 2HB PHE 78 2HB PHE 78 6.651 11.660 -0.634 515 HD1 PHE 78 1HD PHE 78 4.689 14.468 -2.037 516 HD2 PHE 78 2HD PHE 78 8.059 13.323 0.275 517 HE1 PHE 78 1HE PHE 78 5.006 16.852 -1.320 518 HE2 PHE 78 2HE PHE 78 8.376 15.708 0.991 519 HZ PHE 78 HZ PHE 78 6.846 17.444 0.184 520 H ASP 79 H ASP 79 8.947 13.316 -2.764 521 HA ASP 79 HA ASP 79 8.083 15.798 -3.455 522 1HB ASP 79 1HB ASP 79 10.383 15.086 -2.657 523 2HB ASP 79 2HB ASP 79 10.730 14.538 -4.303 524 HD2 ASP 79 HD2 ASP 79 11.110 17.824 -5.435 525 H GLY 80 H GLY 80 9.403 13.127 -5.548 526 1HA GLY 80 1HA GLY 80 7.761 13.227 -7.660 527 2HA GLY 80 2HA GLY 80 8.811 14.596 -7.979 528 H THR 81 H THR 81 11.146 13.286 -6.532 529 HA THR 81 HA THR 81 12.088 11.793 -8.816 530 HB THR 81 HB THR 81 13.623 13.382 -7.858 531 HG1 THR 81 1HG THR 81 14.575 11.275 -8.258 532 1HG2 THR 81 1HG2 THR 81 14.204 12.491 -5.256 533 2HG2 THR 81 2HG2 THR 81 13.308 13.974 -5.664 534 3HG2 THR 81 3HG2 THR 81 12.425 12.469 -5.312 535 H ARG 82 H ARG 82 12.836 9.640 -8.836 536 HA ARG 82 HA ARG 82 11.303 8.013 -7.061 537 1HB ARG 82 1HB ARG 82 12.783 7.673 -9.624 538 2HB ARG 82 2HB ARG 82 12.762 6.238 -8.585 539 1HG ARG 82 1HG ARG 82 10.443 6.020 -8.715 540 2HG ARG 82 2HG ARG 82 10.183 7.738 -9.068 541 1HD ARG 82 1HD ARG 82 11.773 6.689 -11.192 542 2HD ARG 82 2HD ARG 82 10.480 5.512 -10.911 543 HE ARG 82 HE ARG 82 8.905 7.110 -11.636 544 1HH1 ARG 82 1HH1 ARG 82 12.039 8.638 -11.172 545 2HH1 ARG 82 2HH1 ARG 82 11.570 10.125 -11.929 546 1HH2 ARG 82 1HH2 ARG 82 8.284 9.069 -12.637 547 2HH2 ARG 82 2HH2 ARG 82 9.420 10.369 -12.769 548 H TRP 83 H TRP 83 12.198 6.414 -5.601 549 HA TRP 83 HA TRP 83 14.978 6.996 -4.866 550 1HB TRP 83 1HB TRP 83 13.329 7.472 -3.151 551 2HB TRP 83 2HB TRP 83 12.714 5.820 -3.246 552 HD1 TRP 83 HD TRP 83 13.632 4.391 -1.275 553 HE1 TRP 83 1HE TRP 83 15.807 4.216 0.210 554 HE3 TRP 83 3HE TRP 83 16.140 8.169 -3.574 555 HZ2 TRP 83 2HZ TRP 83 18.276 5.645 0.254 556 HZ3 TRP 83 3HZ TRP 83 18.427 8.715 -2.750 557 HH2 TRP 83 HH TRP 83 19.497 7.523 -0.904 558 H GLY 84 H GLY 84 12.960 4.125 -4.077 559 1HA GLY 84 1HA GLY 84 13.383 2.240 -5.814 560 2HA GLY 84 2HA GLY 84 15.037 2.427 -5.267 561 H THR 85 H THR 85 15.701 1.374 -3.418 562 HA THR 85 HA THR 85 15.513 0.458 -1.350 563 HB THR 85 HB THR 85 12.476 0.454 -1.643 564 HG1 THR 85 1HG THR 85 12.845 2.642 -1.778 565 1HG2 THR 85 1HG2 THR 85 13.034 -0.582 0.421 566 2HG2 THR 85 2HG2 THR 85 14.492 0.415 0.630 567 3HG2 THR 85 3HG2 THR 85 12.883 1.128 0.889 568 H VAL 86 H VAL 86 13.032 -0.723 -3.713 569 HA VAL 86 HA VAL 86 12.749 -2.719 -4.621 570 HB VAL 86 HB VAL 86 15.509 -3.279 -3.518 571 1HG1 VAL 86 1HG1 VAL 86 13.580 -4.988 -4.927 572 2HG1 VAL 86 2HG1 VAL 86 15.166 -4.897 -5.730 573 3HG1 VAL 86 3HG1 VAL 86 15.057 -5.419 -4.032 574 1HG2 VAL 86 1HG2 VAL 86 16.367 -2.199 -5.284 575 2HG2 VAL 86 2HG2 VAL 86 15.217 -2.952 -6.411 576 3HG2 VAL 86 3HG2 VAL 86 14.747 -1.496 -5.502 577 H ASP 87 H ASP 87 14.688 -4.521 -2.343 578 HA ASP 87 HA ASP 87 12.502 -5.942 -1.447 579 1HB ASP 87 1HB ASP 87 15.034 -6.511 -1.413 580 2HB ASP 87 2HB ASP 87 15.094 -5.618 0.113 581 HD2 ASP 87 HD2 ASP 87 14.623 -9.023 1.038 582 H CYS 88 H CYS 88 10.857 -4.697 -0.424 583 HA CYS 88 HA CYS 88 11.569 -2.688 1.480 584 1HB CYS 88 1HB CYS 88 9.694 -2.190 0.187 585 2HB CYS 88 2HB CYS 88 8.969 -3.781 0.432 586 H THR 89 H THR 89 12.885 -4.533 2.663 587 HA THR 89 HA THR 89 11.089 -6.049 4.428 588 HB THR 89 HB THR 89 12.937 -7.141 2.923 589 HG1 THR 89 1HG THR 89 12.934 -7.357 5.853 590 1HG2 THR 89 1HG2 THR 89 15.146 -6.759 3.408 591 2HG2 THR 89 2HG2 THR 89 14.592 -5.295 4.254 592 3HG2 THR 89 3HG2 THR 89 14.837 -6.807 5.161 593 H THR 90 H THR 90 13.301 -3.352 4.260 594 HA THR 90 HA THR 90 13.699 -3.365 7.144 595 HB THR 90 HB THR 90 15.560 -2.833 5.525 596 HG1 THR 90 1HG THR 90 16.099 -0.915 6.790 597 1HG2 THR 90 1HG2 THR 90 14.084 -1.572 3.849 598 2HG2 THR 90 2HG2 THR 90 13.974 -0.261 5.047 599 3HG2 THR 90 3HG2 THR 90 15.550 -0.697 4.345 600 H ALA 91 H ALA 91 12.181 -1.268 4.613 601 HA ALA 91 HA ALA 91 10.921 0.265 6.732 602 1HB ALA 91 1HB ALA 91 11.912 0.841 4.181 603 2HB ALA 91 2HB ALA 91 10.143 0.878 3.978 604 3HB ALA 91 3HB ALA 91 10.922 1.915 5.196 605 H ALA 92 H ALA 92 8.599 0.503 6.900 606 HA ALA 92 HA ALA 92 7.244 -1.962 6.174 607 1HB ALA 92 1HB ALA 92 5.512 -0.251 7.595 608 2HB ALA 92 2HB ALA 92 6.436 -1.629 8.246 609 3HB ALA 92 3HB ALA 92 7.121 0.013 8.306 610 H CYS 93 H CYS 93 6.016 -2.116 4.371 611 HA CYS 93 HA CYS 93 5.382 0.342 2.981 612 1HB CYS 93 1HB CYS 93 4.418 -2.051 1.697 613 2HB CYS 93 2HB CYS 93 5.574 -0.845 1.123 614 H GLN 94 H GLN 94 3.382 1.291 3.196 615 HA GLN 94 HA GLN 94 1.342 -0.298 4.506 616 1HB GLN 94 1HB GLN 94 1.697 2.686 4.078 617 2HB GLN 94 2HB GLN 94 0.205 1.996 4.741 618 1HG GLN 94 1HG GLN 94 1.226 1.372 6.729 619 2HG GLN 94 2HG GLN 94 2.820 1.170 5.987 620 1HE2 GLN 94 1HE2 GLN 94 3.857 2.388 7.518 621 2HE2 GLN 94 2HE2 GLN 94 3.714 4.111 7.642 622 H VAL 95 H VAL 95 0.007 -1.395 3.129 623 HA VAL 95 HA VAL 95 -0.482 -0.274 0.497 624 HB VAL 95 HB VAL 95 -1.686 -2.826 1.462 625 1HG1 VAL 95 1HG1 VAL 95 -0.349 -3.110 -1.011 626 2HG1 VAL 95 2HG1 VAL 95 -2.101 -2.970 -0.725 627 3HG1 VAL 95 3HG1 VAL 95 -1.132 -1.512 -1.049 628 1HG2 VAL 95 1HG2 VAL 95 0.398 -3.266 2.391 629 2HG2 VAL 95 2HG2 VAL 95 0.588 -3.897 0.737 630 3HG2 VAL 95 3HG2 VAL 95 1.265 -2.307 1.166 631 H GLY 96 H GLY 96 -2.319 0.793 -0.071 632 1HA GLY 96 1HA GLY 96 -4.862 0.284 0.981 633 2HA GLY 96 2HA GLY 96 -4.164 1.607 1.897 634 H LEU 97 H LEU 97 -6.395 2.224 0.472 635 HA LEU 97 HA LEU 97 -5.512 3.296 -2.088 636 1HB LEU 97 1HB LEU 97 -8.184 2.889 -0.781 637 2HB LEU 97 2HB LEU 97 -7.992 3.888 -2.233 638 HG LEU 97 HG LEU 97 -6.714 1.358 -2.661 639 1HD1 LEU 97 1HD1 LEU 97 -8.264 -0.256 -2.170 640 2HD1 LEU 97 2HD1 LEU 97 -8.476 0.826 -0.775 641 3HD1 LEU 97 3HD1 LEU 97 -9.622 0.893 -2.135 642 1HD2 LEU 97 1HD2 LEU 97 -7.496 1.805 -4.686 643 2HD2 LEU 97 2HD2 LEU 97 -9.173 1.638 -4.111 644 3HD2 LEU 97 3HD2 LEU 97 -8.354 3.215 -4.021 645 H SER 98 H SER 98 -5.015 5.412 -2.400 646 HA SER 98 HA SER 98 -5.276 7.097 -0.065 647 1HB SER 98 1HB SER 98 -3.733 8.621 -1.348 648 2HB SER 98 2HB SER 98 -3.049 7.021 -1.012 649 HG SER 98 HG SER 98 -4.174 7.991 -3.496 650 H ASP 99 H ASP 99 -5.961 9.436 -0.418 651 HA ASP 99 HA ASP 99 -8.280 9.413 -2.099 652 1HB ASP 99 1HB ASP 99 -7.545 11.940 -0.744 653 2HB ASP 99 2HB ASP 99 -9.069 11.043 -0.691 654 HD2 ASP 99 HD2 ASP 99 -8.334 9.901 2.432 655 H ALA 100 H ALA 100 -8.700 11.315 -3.609 656 HA ALA 100 HA ALA 100 -6.237 12.029 -4.978 657 1HB ALA 100 1HB ALA 100 -7.643 11.422 -6.652 658 2HB ALA 100 2HB ALA 100 -9.095 11.667 -5.651 659 3HB ALA 100 3HB ALA 100 -8.323 13.055 -6.453 660 H ALA 101 H ALA 101 -7.737 13.193 -2.341 661 HA ALA 101 HA ALA 101 -7.681 15.990 -3.199 662 1HB ALA 101 1HB ALA 101 -9.452 14.521 -1.619 663 2HB ALA 101 2HB ALA 101 -8.483 15.428 -0.435 664 3HB ALA 101 3HB ALA 101 -9.357 16.297 -1.719 665 H GLY 102 H GLY 102 -5.823 13.526 -1.628 666 1HA GLY 102 1HA GLY 102 -3.640 13.727 -0.958 667 2HA GLY 102 2HA GLY 102 -3.776 15.473 -0.963 668 H ASN 103 H ASN 103 -5.632 12.832 0.719 669 HA ASN 103 HA ASN 103 -5.170 14.330 3.172 670 1HB ASN 103 1HB ASN 103 -7.321 12.258 2.521 671 2HB ASN 103 2HB ASN 103 -7.207 13.168 4.038 672 1HD2 ASN 103 1HD2 ASN 103 -8.962 12.942 1.406 673 2HD2 ASN 103 2HD2 ASN 103 -9.399 14.587 1.084 674 H GLY 104 H GLY 104 -4.426 13.128 5.053 675 1HA GLY 104 1HA GLY 104 -2.538 11.289 4.910 676 2HA GLY 104 2HA GLY 104 -3.694 11.307 6.226 677 HA PRO 105 HA PRO 105 -4.861 7.947 3.049 678 1HB PRO 105 1HB PRO 105 -2.799 6.924 1.577 679 2HB PRO 105 2HB PRO 105 -3.922 8.133 0.954 680 1HG PRO 105 1HG PRO 105 -1.143 8.434 1.898 681 2HG PRO 105 2HG PRO 105 -2.096 9.536 0.840 682 1HD PRO 105 1HD PRO 105 -1.435 9.861 3.606 683 2HD PRO 105 2HD PRO 105 -2.507 10.890 2.648 684 H GLU 106 H GLU 106 -5.408 6.469 4.522 685 HA GLU 106 HA GLU 106 -3.315 5.435 6.142 686 1HB GLU 106 1HB GLU 106 -6.220 5.520 6.157 687 2HB GLU 106 2HB GLU 106 -5.655 3.885 6.541 688 1HG GLU 106 1HG GLU 106 -5.664 4.891 8.647 689 2HG GLU 106 2HG GLU 106 -3.985 5.158 8.155 690 HE2 GLU 106 HE2 GLU 106 -6.102 8.251 9.018 691 H GLY 107 H GLY 107 -2.478 3.291 6.171 692 1HA GLY 107 1HA GLY 107 -3.364 1.507 4.005 693 2HA GLY 107 2HA GLY 107 -1.679 1.982 4.095 694 H VAL 108 H VAL 108 -2.094 -0.680 4.265 695 HA VAL 108 HA VAL 108 -2.114 -1.295 7.132 696 HB VAL 108 HB VAL 108 -3.772 -2.414 5.678 697 1HG1 VAL 108 1HG1 VAL 108 -2.740 -2.633 3.579 698 2HG1 VAL 108 2HG1 VAL 108 -1.285 -3.395 4.268 699 3HG1 VAL 108 3HG1 VAL 108 -2.818 -4.298 4.203 700 1HG2 VAL 108 1HG2 VAL 108 -1.890 -4.586 6.528 701 2HG2 VAL 108 2HG2 VAL 108 -2.486 -3.446 7.758 702 3HG2 VAL 108 3HG2 VAL 108 -3.640 -4.412 6.807 703 H ALA 109 H ALA 109 -0.281 -2.030 8.136 704 HA ALA 109 HA ALA 109 2.165 -1.800 6.696 705 1HB ALA 109 1HB ALA 109 1.293 -2.401 9.512 706 2HB ALA 109 2HB ALA 109 2.966 -2.773 9.029 707 3HB ALA 109 3HB ALA 109 2.353 -1.107 8.903 708 H ILE 110 H ILE 110 2.182 -3.356 5.025 709 HA ILE 110 HA ILE 110 1.686 -6.111 5.720 710 HB ILE 110 HB ILE 110 1.215 -4.695 3.502 711 1HG1 ILE 110 1HG1 ILE 110 0.542 -7.056 4.227 712 2HG1 ILE 110 2HG1 ILE 110 0.605 -6.709 2.491 713 1HG2 ILE 110 1HG2 ILE 110 2.778 -5.059 1.772 714 2HG2 ILE 110 2HG2 ILE 110 3.719 -4.444 3.151 715 3HG2 ILE 110 3HG2 ILE 110 3.740 -6.183 2.762 716 1HD1 ILE 110 1HD1 ILE 110 1.669 -8.910 3.175 717 2HD1 ILE 110 2HD1 ILE 110 2.758 -7.816 2.287 718 3HD1 ILE 110 3HD1 ILE 110 2.899 -7.970 4.056 719 H SER 111 H SER 111 3.215 -7.727 5.980 720 HA SER 111 HA SER 111 5.680 -7.924 5.150 721 1HB SER 111 1HB SER 111 6.699 -6.004 5.865 722 2HB SER 111 2HB SER 111 5.593 -5.784 7.232 723 HG SER 111 HG SER 111 7.492 -6.347 8.206 724 H PHE 112 H PHE 112 4.643 -7.532 8.622 725 HA PHE 112 HA PHE 112 4.612 -10.443 8.836 726 1HB PHE 112 1HB PHE 112 6.837 -9.580 9.592 727 2HB PHE 112 2HB PHE 112 6.042 -8.388 10.627 728 HD1 PHE 112 1HD PHE 112 6.820 -9.005 12.750 729 HD2 PHE 112 2HD PHE 112 5.156 -11.970 10.209 730 HE1 PHE 112 1HE PHE 112 6.855 -10.650 14.646 731 HE2 PHE 112 2HE PHE 112 5.192 -13.615 12.105 732 HZ PHE 112 HZ PHE 112 6.040 -12.934 14.300 733 H ASN 113 H ASN 113 3.287 -11.251 10.590 734 HA ASN 113 HA ASN 113 1.028 -9.678 11.003 735 1HB ASN 113 1HB ASN 113 0.719 -12.042 11.043 736 2HB ASN 113 2HB ASN 113 2.050 -12.292 12.184 737 1HD2 ASN 113 1HD2 ASN 113 0.916 -13.366 13.711 738 2HD2 ASN 113 2HD2 ASN 113 -0.346 -12.677 14.676 739 6H NCZ 130 6H NCZ 130 -0.194 13.750 -0.419 740 6H1 NCZ 130 6H1 NCZ 130 -0.800 10.968 -1.041 741 5H1 NCZ 130 5H1 NCZ 130 -2.381 12.059 0.774 742 4H1 NCZ 130 4H1 NCZ 130 -0.742 12.264 2.981 743 5H NCZ 130 5H NCZ 130 2.564 12.771 1.567 744 3H1 NCZ 130 3H1 NCZ 130 1.264 11.014 2.384 745 2H1 NCZ 130 2H1 NCZ 130 1.906 11.533 -0.336 746 2H NCZ 130 2H NCZ 130 0.410 8.944 -3.784 747 8H NCZ 130 8H NCZ 130 -0.620 5.904 -3.931 748 7H NCZ 130 7H NCZ 130 -1.508 4.548 -2.066 749 3H NCZ 130 3H NCZ 130 -1.037 4.668 2.613 750 1H17 NCZ 130 1H17 NCZ 130 1.073 7.825 5.006 751 2H17 NCZ 130 2H17 NCZ 130 1.826 8.195 3.436 752 3H17 NCZ 130 3H17 NCZ 130 0.137 8.660 3.745 753 1H18 NCZ 130 1H18 NCZ 130 -1.676 3.349 -0.696 754 2H18 NCZ 130 2H18 NCZ 130 -1.679 3.044 1.056 755 3H18 NCZ 130 3H18 NCZ 130 -2.918 4.096 0.334 756 1H NCZ 130 1H NCZ 130 1.228 7.998 1.281 Start of MODEL 33 1 H ALA 1 H ALA 1 -13.375 -7.760 14.299 2 HA ALA 1 HA ALA 1 -11.488 -6.451 13.384 3 1HB ALA 1 1HB ALA 1 -11.501 -9.325 12.404 4 2HB ALA 1 2HB ALA 1 -10.118 -8.365 12.978 5 3HB ALA 1 3HB ALA 1 -11.370 -8.897 14.126 6 H ALA 2 H ALA 2 -11.390 -4.997 11.740 7 HA ALA 2 HA ALA 2 -10.918 -5.739 9.144 8 1HB ALA 2 1HB ALA 2 -13.552 -4.576 8.799 9 2HB ALA 2 2HB ALA 2 -12.901 -6.101 8.152 10 3HB ALA 2 3HB ALA 2 -13.660 -6.071 9.760 11 HA PRO 3 HA PRO 3 -10.395 -1.410 10.476 12 1HB PRO 3 1HB PRO 3 -7.669 -1.366 10.633 13 2HB PRO 3 2HB PRO 3 -8.710 -1.624 12.029 14 1HG PRO 3 1HG PRO 3 -7.114 -3.555 10.475 15 2HG PRO 3 2HG PRO 3 -7.766 -3.723 12.144 16 1HD PRO 3 1HD PRO 3 -8.724 -4.925 9.727 17 2HD PRO 3 2HD PRO 3 -9.494 -4.994 11.316 18 H THR 4 H THR 4 -11.267 -0.757 8.510 19 HA THR 4 HA THR 4 -11.201 -0.165 6.352 20 HB THR 4 HB THR 4 -9.492 1.520 5.925 21 HG1 THR 4 1HG THR 4 -7.497 1.350 7.150 22 1HG2 THR 4 1HG2 THR 4 -10.959 2.097 7.891 23 2HG2 THR 4 2HG2 THR 4 -9.802 1.276 8.965 24 3HG2 THR 4 3HG2 THR 4 -9.311 2.739 8.080 25 H ALA 5 H ALA 5 -8.967 0.091 4.532 26 HA ALA 5 HA ALA 5 -9.015 -2.468 3.444 27 1HB ALA 5 1HB ALA 5 -7.366 0.029 3.003 28 2HB ALA 5 2HB ALA 5 -7.027 -1.459 2.089 29 3HB ALA 5 3HB ALA 5 -8.624 -0.684 1.964 30 H THR 6 H THR 6 -8.091 -4.294 4.215 31 HA THR 6 HA THR 6 -5.354 -4.098 5.225 32 HB THR 6 HB THR 6 -6.308 -5.785 7.076 33 HG1 THR 6 1HG THR 6 -8.531 -5.582 7.233 34 1HG2 THR 6 1HG2 THR 6 -5.480 -3.841 8.086 35 2HG2 THR 6 2HG2 THR 6 -6.382 -2.769 6.989 36 3HG2 THR 6 3HG2 THR 6 -7.222 -3.576 8.335 37 H VAL 7 H VAL 7 -4.095 -5.946 4.907 38 HA VAL 7 HA VAL 7 -5.093 -7.624 2.801 39 HB VAL 7 HB VAL 7 -2.462 -7.844 4.260 40 1HG1 VAL 7 1HG1 VAL 7 -3.648 -9.149 1.992 41 2HG1 VAL 7 2HG1 VAL 7 -2.241 -8.203 1.447 42 3HG1 VAL 7 3HG1 VAL 7 -2.053 -9.420 2.736 43 1HG2 VAL 7 1HG2 VAL 7 -3.416 -5.517 2.995 44 2HG2 VAL 7 2HG2 VAL 7 -1.742 -5.881 3.480 45 3HG2 VAL 7 3HG2 VAL 7 -2.297 -6.271 1.834 46 H THR 8 H THR 8 -5.883 -9.678 2.973 47 HA THR 8 HA THR 8 -6.937 -10.690 5.227 48 HB THR 8 HB THR 8 -6.026 -11.726 2.590 49 HG1 THR 8 1HG THR 8 -8.213 -10.979 3.437 50 1HG2 THR 8 1HG2 THR 8 -5.105 -13.464 4.277 51 2HG2 THR 8 2HG2 THR 8 -6.793 -13.699 4.793 52 3HG2 THR 8 3HG2 THR 8 -6.316 -14.070 3.121 53 HA PRO 9 HA PRO 9 -3.025 -12.952 6.448 54 1HB PRO 9 1HB PRO 9 -0.747 -12.765 4.953 55 2HB PRO 9 2HB PRO 9 -1.909 -14.079 4.778 56 1HG PRO 9 1HG PRO 9 -1.451 -11.713 3.076 57 2HG PRO 9 2HG PRO 9 -2.274 -13.257 2.654 58 1HD PRO 9 1HD PRO 9 -3.452 -10.708 3.210 59 2HD PRO 9 2HD PRO 9 -4.310 -12.232 2.956 60 H SER 10 H SER 10 -0.249 -12.244 6.585 61 HA SER 10 HA SER 10 -0.342 -9.450 7.215 62 1HB SER 10 1HB SER 10 -0.421 -11.587 9.271 63 2HB SER 10 2HB SER 10 0.789 -10.325 9.558 64 HG SER 10 HG SER 10 -1.994 -10.239 9.755 65 H SER 11 H SER 11 1.332 -12.595 6.985 66 HA SER 11 HA SER 11 3.905 -11.366 7.159 67 1HB SER 11 1HB SER 11 3.066 -13.825 7.794 68 2HB SER 11 2HB SER 11 3.529 -14.164 6.117 69 HG SER 11 HG SER 11 5.112 -13.925 8.317 70 H GLY 12 H GLY 12 2.267 -10.216 5.103 71 1HA GLY 12 1HA GLY 12 3.172 -11.395 2.587 72 2HA GLY 12 2HA GLY 12 2.014 -10.096 2.804 73 H LEU 13 H LEU 13 4.953 -9.917 4.723 74 HA LEU 13 HA LEU 13 5.711 -7.458 4.107 75 1HB LEU 13 1HB LEU 13 8.093 -8.279 4.463 76 2HB LEU 13 2HB LEU 13 6.911 -8.523 5.760 77 HG LEU 13 HG LEU 13 6.675 -10.889 4.524 78 1HD1 LEU 13 1HD1 LEU 13 9.002 -9.715 3.303 79 2HD1 LEU 13 2HD1 LEU 13 9.463 -11.163 4.232 80 3HD1 LEU 13 3HD1 LEU 13 8.211 -11.275 2.972 81 1HD2 LEU 13 1HD2 LEU 13 7.675 -9.985 6.914 82 2HD2 LEU 13 2HD2 LEU 13 7.492 -11.691 6.444 83 3HD2 LEU 13 3HD2 LEU 13 9.059 -10.873 6.233 84 H SER 14 H SER 14 6.561 -10.382 2.151 85 HA SER 14 HA SER 14 6.652 -8.698 -0.155 86 1HB SER 14 1HB SER 14 8.970 -8.563 0.832 87 2HB SER 14 2HB SER 14 9.132 -10.312 0.587 88 HG SER 14 HG SER 14 9.806 -9.796 -1.373 89 H ASP 15 H ASP 15 8.604 -11.319 -0.861 90 HA ASP 15 HA ASP 15 8.231 -13.084 -2.093 91 1HB ASP 15 1HB ASP 15 7.120 -13.494 0.531 92 2HB ASP 15 2HB ASP 15 6.112 -14.377 -0.626 93 HD2 ASP 15 HD2 ASP 15 9.208 -16.173 0.577 94 H GLY 16 H GLY 16 6.567 -10.776 -2.824 95 1HA GLY 16 1HA GLY 16 4.616 -10.184 -3.827 96 2HA GLY 16 2HA GLY 16 4.951 -11.623 -4.768 97 H THR 17 H THR 17 3.773 -10.979 -1.382 98 HA THR 17 HA THR 17 2.048 -13.237 -1.442 99 HB THR 17 HB THR 17 1.875 -10.873 0.468 100 HG1 THR 17 1HG THR 17 4.001 -12.594 -0.275 101 1HG2 THR 17 1HG2 THR 17 0.851 -12.397 1.831 102 2HG2 THR 17 2HG2 THR 17 0.810 -13.518 0.448 103 3HG2 THR 17 3HG2 THR 17 2.177 -13.559 1.584 104 H VAL 18 H VAL 18 0.413 -13.359 -2.870 105 HA VAL 18 HA VAL 18 -1.122 -10.933 -3.370 106 HB VAL 18 HB VAL 18 -1.414 -13.630 -4.685 107 1HG1 VAL 18 1HG1 VAL 18 -2.337 -12.349 -6.538 108 2HG1 VAL 18 2HG1 VAL 18 -3.216 -11.966 -5.037 109 3HG1 VAL 18 3HG1 VAL 18 -2.011 -10.823 -5.680 110 1HG2 VAL 18 1HG2 VAL 18 0.048 -12.194 -6.478 111 2HG2 VAL 18 2HG2 VAL 18 0.767 -11.647 -4.944 112 3HG2 VAL 18 3HG2 VAL 18 0.734 -13.379 -5.343 113 H VAL 19 H VAL 19 -2.994 -10.537 -2.315 114 HA VAL 19 HA VAL 19 -4.669 -12.761 -1.556 115 HB VAL 19 HB VAL 19 -4.753 -11.522 0.805 116 1HG1 VAL 19 1HG1 VAL 19 -3.933 -13.974 -0.124 117 2HG1 VAL 19 2HG1 VAL 19 -2.476 -13.387 0.713 118 3HG1 VAL 19 3HG1 VAL 19 -4.021 -13.502 1.589 119 1HG2 VAL 19 1HG2 VAL 19 -1.870 -11.181 -0.093 120 2HG2 VAL 19 2HG2 VAL 19 -3.025 -9.877 0.274 121 3HG2 VAL 19 3HG2 VAL 19 -2.471 -10.967 1.570 122 H LYS 20 H LYS 20 -6.457 -11.345 0.093 123 HA LYS 20 HA LYS 20 -7.365 -9.301 -1.807 124 1HB LYS 20 1HB LYS 20 -9.049 -10.847 0.165 125 2HB LYS 20 2HB LYS 20 -9.605 -9.843 -1.186 126 1HG LYS 20 1HG LYS 20 -7.989 -11.589 -2.514 127 2HG LYS 20 2HG LYS 20 -8.510 -12.629 -1.178 128 1HD LYS 20 1HD LYS 20 -10.801 -11.192 -2.149 129 2HD LYS 20 2HD LYS 20 -9.963 -11.876 -3.551 130 1HE LYS 20 1HE LYS 20 -10.540 -14.004 -2.981 131 2HE LYS 20 2HE LYS 20 -10.170 -13.752 -1.268 132 1HZ LYS 20 1HZ LYS 20 -12.512 -12.439 -2.340 133 2HZ LYS 20 2HZ LYS 20 -12.597 -14.058 -2.149 134 3HZ LYS 20 3HZ LYS 20 -12.272 -13.102 -0.867 135 H VAL 21 H VAL 21 -7.959 -7.247 -1.070 136 HA VAL 21 HA VAL 21 -7.252 -6.747 1.740 137 HB VAL 21 HB VAL 21 -6.918 -5.058 -0.741 138 1HG1 VAL 21 1HG1 VAL 21 -7.519 -4.136 1.857 139 2HG1 VAL 21 2HG1 VAL 21 -5.771 -3.881 1.638 140 3HG1 VAL 21 3HG1 VAL 21 -6.927 -3.187 0.474 141 1HG2 VAL 21 1HG2 VAL 21 -4.547 -5.132 -0.203 142 2HG2 VAL 21 2HG2 VAL 21 -4.881 -6.063 1.274 143 3HG2 VAL 21 3HG2 VAL 21 -5.189 -6.787 -0.321 144 H ALA 22 H ALA 22 -9.164 -6.722 2.843 145 HA ALA 22 HA ALA 22 -11.493 -5.572 1.549 146 1HB ALA 22 1HB ALA 22 -10.991 -7.625 3.440 147 2HB ALA 22 2HB ALA 22 -11.878 -6.348 4.311 148 3HB ALA 22 3HB ALA 22 -12.569 -7.064 2.836 149 H GLY 23 H GLY 23 -12.190 -3.511 1.870 150 1HA GLY 23 1HA GLY 23 -10.809 -1.955 3.967 151 2HA GLY 23 2HA GLY 23 -11.446 -1.315 2.465 152 H ALA 24 H ALA 24 -12.203 -2.371 5.753 153 HA ALA 24 HA ALA 24 -15.042 -1.905 5.349 154 1HB ALA 24 1HB ALA 24 -13.658 -3.711 6.857 155 2HB ALA 24 2HB ALA 24 -13.947 -2.435 8.062 156 3HB ALA 24 3HB ALA 24 -15.321 -3.185 7.215 157 H GLY 25 H GLY 25 -15.711 0.183 5.338 158 1HA GLY 25 1HA GLY 25 -16.157 2.215 6.272 159 2HA GLY 25 2HA GLY 25 -15.025 1.882 7.568 160 H LEU 26 H LEU 26 -14.211 1.542 4.094 161 HA LEU 26 HA LEU 26 -12.230 3.659 4.474 162 1HB LEU 26 1HB LEU 26 -11.764 1.213 3.716 163 2HB LEU 26 2HB LEU 26 -12.299 1.801 2.131 164 HG LEU 26 HG LEU 26 -10.531 3.502 2.172 165 1HD1 LEU 26 1HD1 LEU 26 -10.464 2.920 4.952 166 2HD1 LEU 26 2HD1 LEU 26 -8.867 2.519 4.276 167 3HD1 LEU 26 3HD1 LEU 26 -9.546 4.150 4.048 168 1HD2 LEU 26 1HD2 LEU 26 -8.639 1.486 2.571 169 2HD2 LEU 26 2HD2 LEU 26 -10.121 0.632 2.076 170 3HD2 LEU 26 3HD2 LEU 26 -9.448 1.920 1.047 171 H GLN 27 H GLN 27 -12.238 3.537 1.300 172 HA GLN 27 HA GLN 27 -13.448 5.941 0.930 173 1HB GLN 27 1HB GLN 27 -12.642 3.682 -0.871 174 2HB GLN 27 2HB GLN 27 -13.606 4.990 -1.574 175 1HG GLN 27 1HG GLN 27 -11.116 5.320 -1.765 176 2HG GLN 27 2HG GLN 27 -11.936 6.641 -0.920 177 1HE2 GLN 27 1HE2 GLN 27 -11.729 6.854 1.306 178 2HE2 GLN 27 2HE2 GLN 27 -10.458 6.102 2.212 179 H ALA 28 H ALA 28 -15.529 6.108 1.870 180 HA ALA 28 HA ALA 28 -17.563 4.240 1.501 181 1HB ALA 28 1HB ALA 28 -18.262 5.611 3.151 182 2HB ALA 28 2HB ALA 28 -17.191 6.926 2.611 183 3HB ALA 28 3HB ALA 28 -18.795 6.721 1.868 184 H GLY 29 H GLY 29 -17.494 3.621 -0.753 185 1HA GLY 29 1HA GLY 29 -18.445 3.669 -2.802 186 2HA GLY 29 2HA GLY 29 -19.278 5.149 -2.375 187 H THR 30 H THR 30 -15.846 5.241 -1.790 188 HA THR 30 HA THR 30 -15.548 7.060 -4.052 189 HB THR 30 HB THR 30 -13.201 6.842 -2.386 190 HG1 THR 30 1HG THR 30 -15.820 7.107 -1.082 191 1HG2 THR 30 1HG2 THR 30 -13.481 9.123 -2.253 192 2HG2 THR 30 2HG2 THR 30 -14.790 8.882 -3.435 193 3HG2 THR 30 3HG2 THR 30 -15.163 8.962 -1.697 194 H ALA 31 H ALA 31 -13.022 6.959 -4.836 195 HA ALA 31 HA ALA 31 -12.346 4.181 -5.370 196 1HB ALA 31 1HB ALA 31 -12.549 4.317 -7.690 197 2HB ALA 31 2HB ALA 31 -13.974 5.236 -7.151 198 3HB ALA 31 3HB ALA 31 -12.514 6.096 -7.694 199 H TYR 32 H TYR 32 -10.346 4.229 -4.415 200 HA TYR 32 HA TYR 32 -8.590 6.453 -5.206 201 1HB TYR 32 1HB TYR 32 -8.881 4.611 -2.771 202 2HB TYR 32 2HB TYR 32 -7.406 5.545 -3.015 203 HD1 TYR 32 1HD TYR 32 -8.441 6.136 -0.558 204 HD2 TYR 32 2HD TYR 32 -9.936 7.531 -4.317 205 HE1 TYR 32 1HE TYR 32 -9.521 8.124 0.600 206 HE2 TYR 32 2HE TYR 32 -11.013 9.513 -3.145 207 HH TYR 32 HH TYR 32 -10.250 10.344 0.060 208 H ASP 33 H ASP 33 -6.164 5.764 -5.080 209 HA ASP 33 HA ASP 33 -5.975 3.427 -6.737 210 1HB ASP 33 1HB ASP 33 -4.578 5.908 -6.456 211 2HB ASP 33 2HB ASP 33 -3.408 4.624 -6.113 212 HD2 ASP 33 HD2 ASP 33 -3.064 4.952 -9.582 213 H VAL 34 H VAL 34 -5.651 1.457 -5.690 214 HA VAL 34 HA VAL 34 -4.713 1.380 -2.999 215 HB VAL 34 HB VAL 34 -6.052 -0.319 -4.876 216 1HG1 VAL 34 1HG1 VAL 34 -3.848 -1.744 -3.357 217 2HG1 VAL 34 2HG1 VAL 34 -5.035 -2.455 -4.476 218 3HG1 VAL 34 3HG1 VAL 34 -3.773 -1.360 -5.093 219 1HG2 VAL 34 1HG2 VAL 34 -6.406 -1.614 -2.613 220 2HG2 VAL 34 2HG2 VAL 34 -5.642 -0.172 -1.905 221 3HG2 VAL 34 3HG2 VAL 34 -7.136 -0.009 -2.859 222 H GLY 35 H GLY 35 -2.723 0.575 -2.206 223 1HA GLY 35 1HA GLY 35 -0.699 -0.606 -3.645 224 2HA GLY 35 2HA GLY 35 -0.471 1.117 -3.875 225 H GLN 36 H GLN 36 1.423 -0.494 -2.494 226 HA GLN 36 HA GLN 36 0.922 0.125 0.293 227 1HB GLN 36 1HB GLN 36 3.437 -1.265 -0.467 228 2HB GLN 36 2HB GLN 36 2.282 -1.644 0.823 229 1HG GLN 36 1HG GLN 36 1.354 -3.244 -0.462 230 2HG GLN 36 2HG GLN 36 0.989 -2.062 -1.726 231 1HE2 GLN 36 1HE2 GLN 36 3.010 -1.350 -2.981 232 2HE2 GLN 36 2HE2 GLN 36 4.055 -2.614 -3.544 233 H CYS 37 H CYS 37 1.526 2.174 0.871 234 HA CYS 37 HA CYS 37 3.958 3.220 -0.372 235 1HB CYS 37 1HB CYS 37 1.632 4.392 -0.511 236 2HB CYS 37 2HB CYS 37 2.000 4.921 1.133 237 H ALA 38 H ALA 38 5.498 4.343 1.076 238 HA ALA 38 HA ALA 38 5.163 4.373 3.862 239 1HB ALA 38 1HB ALA 38 5.582 2.208 4.343 240 2HB ALA 38 2HB ALA 38 6.089 1.856 2.673 241 3HB ALA 38 3HB ALA 38 7.257 2.529 3.834 242 H TRP 39 H TRP 39 7.316 4.970 4.948 243 HA TRP 39 HA TRP 39 8.614 6.874 3.246 244 1HB TRP 39 1HB TRP 39 9.650 6.313 5.959 245 2HB TRP 39 2HB TRP 39 9.346 7.851 5.148 246 HD1 TRP 39 HD TRP 39 7.449 5.109 7.132 247 HE1 TRP 39 1HE TRP 39 5.214 6.064 8.156 248 HE3 TRP 39 3HE TRP 39 7.722 9.643 4.847 249 HZ2 TRP 39 2HZ TRP 39 3.841 8.553 7.903 250 HZ3 TRP 39 3HZ TRP 39 5.893 11.280 5.289 251 HH2 TRP 39 HH TRP 39 4.001 10.795 6.759 252 H VAL 40 H VAL 40 10.309 6.354 1.933 253 HA VAL 40 HA VAL 40 11.879 3.987 2.675 254 HB VAL 40 HB VAL 40 10.520 4.275 0.453 255 1HG1 VAL 40 1HG1 VAL 40 13.077 5.791 -0.167 256 2HG1 VAL 40 2HG1 VAL 40 11.928 5.187 -1.384 257 3HG1 VAL 40 3HG1 VAL 40 11.418 6.428 -0.215 258 1HG2 VAL 40 1HG2 VAL 40 13.009 2.922 1.145 259 2HG2 VAL 40 2HG2 VAL 40 11.594 2.322 0.250 260 3HG2 VAL 40 3HG2 VAL 40 12.872 3.217 -0.605 261 H ASP 41 H ASP 41 12.074 7.376 1.414 262 HA ASP 41 HA ASP 41 14.904 7.348 1.849 263 1HB ASP 41 1HB ASP 41 12.991 8.896 0.340 264 2HB ASP 41 2HB ASP 41 13.917 10.004 1.364 265 HD2 ASP 41 HD2 ASP 41 16.707 8.264 -0.577 266 H THR 42 H THR 42 15.508 9.860 2.848 267 HA THR 42 HA THR 42 15.162 9.647 5.566 268 HB THR 42 HB THR 42 15.689 12.079 3.780 269 HG1 THR 42 1HG THR 42 17.398 10.336 5.396 270 1HG2 THR 42 1HG2 THR 42 15.939 13.317 5.680 271 2HG2 THR 42 2HG2 THR 42 15.324 11.949 6.638 272 3HG2 THR 42 3HG2 THR 42 17.070 12.102 6.322 273 H GLY 43 H GLY 43 13.079 9.175 6.250 274 1HA GLY 43 1HA GLY 43 10.940 9.583 6.825 275 2HA GLY 43 2HA GLY 43 11.469 11.238 7.057 276 H VAL 44 H VAL 44 11.766 9.806 3.838 277 HA VAL 44 HA VAL 44 9.669 11.629 2.935 278 HB VAL 44 HB VAL 44 11.968 10.239 1.556 279 1HG1 VAL 44 1HG1 VAL 44 9.931 10.308 0.107 280 2HG1 VAL 44 2HG1 VAL 44 9.928 12.081 0.270 281 3HG1 VAL 44 3HG1 VAL 44 11.296 11.261 -0.520 282 1HG2 VAL 44 1HG2 VAL 44 11.725 13.139 1.291 283 2HG2 VAL 44 2HG2 VAL 44 11.862 12.618 2.988 284 3HG2 VAL 44 3HG2 VAL 44 13.111 12.149 1.808 285 H LEU 45 H LEU 45 7.675 10.814 2.590 286 HA LEU 45 HA LEU 45 7.238 8.017 2.620 287 1HB LEU 45 1HB LEU 45 5.751 9.931 3.424 288 2HB LEU 45 2HB LEU 45 5.260 10.097 1.730 289 HG LEU 45 HG LEU 45 5.077 7.346 2.695 290 1HD1 LEU 45 1HD1 LEU 45 4.640 8.402 4.845 291 2HD1 LEU 45 2HD1 LEU 45 3.401 9.444 4.101 292 3HD1 LEU 45 3HD1 LEU 45 3.151 7.683 4.182 293 1HD2 LEU 45 1HD2 LEU 45 2.902 7.441 1.657 294 2HD2 LEU 45 2HD2 LEU 45 2.980 9.216 1.563 295 3HD2 LEU 45 3HD2 LEU 45 4.097 8.222 0.595 296 H ALA 46 H ALA 46 7.978 6.756 0.983 297 HA ALA 46 HA ALA 46 7.482 7.746 -1.743 298 1HB ALA 46 1HB ALA 46 9.532 5.670 -0.894 299 2HB ALA 46 2HB ALA 46 9.432 6.556 -2.437 300 3HB ALA 46 3HB ALA 46 9.893 7.413 -0.947 301 H CYS 47 H CYS 47 6.243 6.499 -3.112 302 HA CYS 47 HA CYS 47 5.039 4.161 -1.869 303 1HB CYS 47 1HB CYS 47 4.215 5.632 -4.371 304 2HB CYS 47 2HB CYS 47 3.310 4.356 -3.552 305 H ASN 48 H ASN 48 4.800 2.163 -3.214 306 HA ASN 48 HA ASN 48 7.230 1.712 -4.648 307 1HB ASN 48 1HB ASN 48 4.954 -0.283 -4.439 308 2HB ASN 48 2HB ASN 48 6.695 -0.603 -4.456 309 1HD2 ASN 48 1HD2 ASN 48 7.339 1.519 -2.605 310 2HD2 ASN 48 2HD2 ASN 48 6.852 1.013 -1.024 311 HA PRO 49 HA PRO 49 5.390 1.775 -8.632 312 1HB PRO 49 1HB PRO 49 6.541 -0.314 -9.965 313 2HB PRO 49 2HB PRO 49 7.354 1.229 -9.703 314 1HG PRO 49 1HG PRO 49 7.722 -1.365 -8.345 315 2HG PRO 49 2HG PRO 49 8.852 0.036 -8.418 316 1HD PRO 49 1HD PRO 49 7.203 -0.811 -6.234 317 2HD PRO 49 2HD PRO 49 8.174 0.662 -6.312 318 H ALA 50 H ALA 50 4.778 -0.826 -6.621 319 HA ALA 50 HA ALA 50 2.704 -1.790 -8.458 320 1HB ALA 50 1HB ALA 50 3.013 -3.875 -7.565 321 2HB ALA 50 2HB ALA 50 4.620 -3.215 -7.180 322 3HB ALA 50 3HB ALA 50 3.349 -3.243 -5.933 323 H ASP 51 H ASP 51 2.946 0.664 -6.443 324 HA ASP 51 HA ASP 51 0.806 -0.014 -4.659 325 1HB ASP 51 1HB ASP 51 2.324 1.387 -3.591 326 2HB ASP 51 2HB ASP 51 2.681 2.308 -5.059 327 HD2 ASP 51 HD2 ASP 51 0.136 4.575 -4.414 328 H PHE 52 H PHE 52 0.895 0.568 -7.866 329 HA PHE 52 HA PHE 52 -1.291 2.515 -7.872 330 1HB PHE 52 1HB PHE 52 0.175 1.383 -10.289 331 2HB PHE 52 2HB PHE 52 -0.542 2.988 -10.113 332 HD1 PHE 52 1HD PHE 52 0.724 3.720 -7.470 333 HD2 PHE 52 2HD PHE 52 2.345 1.950 -10.970 334 HE1 PHE 52 1HE PHE 52 2.984 4.651 -6.895 335 HE2 PHE 52 2HE PHE 52 4.604 2.880 -10.396 336 HZ PHE 52 HZ PHE 52 4.895 4.219 -8.363 337 H SER 53 H SER 53 -3.077 1.185 -7.368 338 HA SER 53 HA SER 53 -3.844 -0.513 -9.554 339 1HB SER 53 1HB SER 53 -2.662 -1.701 -7.362 340 2HB SER 53 2HB SER 53 -4.383 -1.805 -6.943 341 HG SER 53 HG SER 53 -4.274 -2.523 -9.488 342 H SER 54 H SER 54 -5.428 1.179 -9.903 343 HA SER 54 HA SER 54 -6.957 2.480 -8.233 344 1HB SER 54 1HB SER 54 -7.266 2.747 -10.588 345 2HB SER 54 2HB SER 54 -7.800 1.067 -10.791 346 HG SER 54 HG SER 54 -9.391 2.385 -8.968 347 H VAL 55 H VAL 55 -8.811 2.183 -6.905 348 HA VAL 55 HA VAL 55 -10.109 -0.380 -6.860 349 HB VAL 55 HB VAL 55 -8.129 0.468 -4.790 350 1HG1 VAL 55 1HG1 VAL 55 -9.455 -1.378 -3.362 351 2HG1 VAL 55 2HG1 VAL 55 -9.788 0.366 -3.229 352 3HG1 VAL 55 3HG1 VAL 55 -10.832 -0.665 -4.237 353 1HG2 VAL 55 1HG2 VAL 55 -7.307 -1.268 -6.105 354 2HG2 VAL 55 2HG2 VAL 55 -7.977 -2.132 -4.700 355 3HG2 VAL 55 3HG2 VAL 55 -8.893 -2.068 -6.225 356 H THR 56 H THR 56 -12.163 -0.261 -5.859 357 HA THR 56 HA THR 56 -12.857 2.362 -4.734 358 HB THR 56 HB THR 56 -13.602 1.333 -7.318 359 HG1 THR 56 1HG THR 56 -14.866 3.438 -7.071 360 1HG2 THR 56 1HG2 THR 56 -16.043 1.399 -7.170 361 2HG2 THR 56 2HG2 THR 56 -15.477 0.165 -6.021 362 3HG2 THR 56 3HG2 THR 56 -15.972 1.769 -5.431 363 H ALA 57 H ALA 57 -14.481 2.365 -3.150 364 HA ALA 57 HA ALA 57 -14.996 -0.321 -2.085 365 1HB ALA 57 1HB ALA 57 -14.180 0.602 -0.204 366 2HB ALA 57 2HB ALA 57 -14.154 2.222 -0.940 367 3HB ALA 57 3HB ALA 57 -15.637 1.624 -0.156 368 H ASP 58 H ASP 58 -17.122 -0.939 -1.528 369 HA ASP 58 HA ASP 58 -19.096 0.092 -3.156 370 1HB ASP 58 1HB ASP 58 -19.789 -1.291 -0.570 371 2HB ASP 58 2HB ASP 58 -20.495 -1.526 -2.178 372 HD2 ASP 58 HD2 ASP 58 -18.460 -4.408 -1.402 373 H ALA 59 H ALA 59 -21.207 1.129 -2.385 374 HA ALA 59 HA ALA 59 -20.915 3.504 -1.186 375 1HB ALA 59 1HB ALA 59 -22.950 2.553 -2.342 376 2HB ALA 59 2HB ALA 59 -23.349 1.714 -0.826 377 3HB ALA 59 3HB ALA 59 -23.312 3.492 -0.876 378 H ASN 60 H ASN 60 -21.028 0.324 0.384 379 HA ASN 60 HA ASN 60 -21.349 1.521 2.966 380 1HB ASN 60 1HB ASN 60 -22.141 -0.857 2.062 381 2HB ASN 60 2HB ASN 60 -20.512 -1.362 2.534 382 1HD2 ASN 60 1HD2 ASN 60 -21.701 -2.750 4.003 383 2HD2 ASN 60 2HD2 ASN 60 -22.200 -2.155 5.551 384 H GLY 61 H GLY 61 -19.015 2.368 1.394 385 1HA GLY 61 1HA GLY 61 -16.754 2.464 1.418 386 2HA GLY 61 2HA GLY 61 -16.983 2.439 3.157 387 H SER 62 H SER 62 -17.678 -0.213 0.801 388 HA SER 62 HA SER 62 -15.786 -1.819 2.320 389 1HB SER 62 1HB SER 62 -17.913 -2.836 0.407 390 2HB SER 62 2HB SER 62 -17.053 -3.754 1.657 391 HG SER 62 HG SER 62 -18.298 -1.637 2.832 392 H ALA 63 H ALA 63 -13.792 -1.596 1.300 393 HA ALA 63 HA ALA 63 -13.781 -1.837 -1.625 394 1HB ALA 63 1HB ALA 63 -12.516 0.022 -1.364 395 2HB ALA 63 2HB ALA 63 -12.260 -0.285 0.371 396 3HB ALA 63 3HB ALA 63 -11.235 -1.096 -0.838 397 H SER 64 H SER 64 -14.061 -4.149 -1.652 398 HA SER 64 HA SER 64 -11.974 -5.638 -0.312 399 1HB SER 64 1HB SER 64 -13.388 -7.604 -1.332 400 2HB SER 64 2HB SER 64 -14.019 -6.711 0.063 401 HG SER 64 HG SER 64 -15.700 -6.178 -1.134 402 H THR 65 H THR 65 -10.304 -4.702 -1.820 403 HA THR 65 HA THR 65 -10.415 -5.978 -4.473 404 HB THR 65 HB THR 65 -8.908 -4.114 -5.154 405 HG1 THR 65 1HG THR 65 -7.841 -3.774 -3.127 406 1HG2 THR 65 1HG2 THR 65 -10.962 -2.670 -3.479 407 2HG2 THR 65 2HG2 THR 65 -10.502 -2.398 -5.176 408 3HG2 THR 65 3HG2 THR 65 -11.560 -3.766 -4.749 409 H SER 66 H SER 66 -8.831 -7.358 -5.129 410 HA SER 66 HA SER 66 -6.898 -7.988 -3.050 411 1HB SER 66 1HB SER 66 -6.761 -10.203 -4.021 412 2HB SER 66 2HB SER 66 -8.473 -9.802 -3.797 413 HG SER 66 HG SER 66 -7.892 -10.791 -5.906 414 H LEU 67 H LEU 67 -4.646 -8.172 -3.578 415 HA LEU 67 HA LEU 67 -3.781 -7.832 -6.276 416 1HB LEU 67 1HB LEU 67 -4.244 -5.506 -4.682 417 2HB LEU 67 2HB LEU 67 -2.507 -5.670 -4.987 418 HG LEU 67 HG LEU 67 -3.195 -4.361 -6.752 419 1HD1 LEU 67 1HD1 LEU 67 -2.473 -5.562 -8.490 420 2HD1 LEU 67 2HD1 LEU 67 -2.383 -6.923 -7.347 421 3HD1 LEU 67 3HD1 LEU 67 -3.822 -6.718 -8.375 422 1HD2 LEU 67 1HD2 LEU 67 -5.296 -4.107 -7.500 423 2HD2 LEU 67 2HD2 LEU 67 -5.563 -5.859 -7.667 424 3HD2 LEU 67 3HD2 LEU 67 -5.733 -5.081 -6.076 425 H THR 68 H THR 68 -1.158 -7.167 -5.941 426 HA THR 68 HA THR 68 -0.257 -9.214 -4.028 427 HB THR 68 HB THR 68 0.938 -8.201 -6.661 428 HG1 THR 68 1HG THR 68 -0.320 -9.874 -7.378 429 1HG2 THR 68 1HG2 THR 68 2.116 -10.618 -6.132 430 2HG2 THR 68 2HG2 THR 68 2.872 -9.065 -5.702 431 3HG2 THR 68 3HG2 THR 68 1.967 -9.985 -4.476 432 H VAL 69 H VAL 69 0.945 -8.641 -2.324 433 HA VAL 69 HA VAL 69 1.692 -5.845 -2.141 434 HB VAL 69 HB VAL 69 0.506 -6.779 -0.293 435 1HG1 VAL 69 1HG1 VAL 69 0.657 -8.997 0.009 436 2HG1 VAL 69 2HG1 VAL 69 2.266 -9.083 -0.748 437 3HG1 VAL 69 3HG1 VAL 69 2.112 -8.640 0.970 438 1HG2 VAL 69 1HG2 VAL 69 1.901 -5.245 0.666 439 2HG2 VAL 69 2HG2 VAL 69 2.510 -6.704 1.485 440 3HG2 VAL 69 3HG2 VAL 69 3.376 -6.046 0.074 441 H ARG 70 H ARG 70 3.467 -5.602 -3.537 442 HA ARG 70 HA ARG 70 5.656 -7.432 -3.112 443 1HB ARG 70 1HB ARG 70 5.455 -5.122 -5.096 444 2HB ARG 70 2HB ARG 70 6.617 -6.461 -5.150 445 1HG ARG 70 1HG ARG 70 3.767 -7.284 -5.075 446 2HG ARG 70 2HG ARG 70 4.227 -6.384 -6.532 447 1HD ARG 70 1HD ARG 70 6.340 -8.125 -6.285 448 2HD ARG 70 2HD ARG 70 5.024 -9.112 -5.630 449 HE ARG 70 HE ARG 70 4.013 -7.968 -7.983 450 1HH1 ARG 70 1HH1 ARG 70 6.712 -10.060 -7.139 451 2HH1 ARG 70 2HH1 ARG 70 6.736 -10.862 -8.675 452 1HH2 ARG 70 1HH2 ARG 70 4.044 -9.025 -10.008 453 2HH2 ARG 70 2HH2 ARG 70 5.209 -10.270 -10.317 454 H ARG 71 H ARG 71 7.439 -6.870 -1.878 455 HA ARG 71 HA ARG 71 7.444 -4.201 -0.816 456 1HB ARG 71 1HB ARG 71 7.827 -5.679 0.934 457 2HB ARG 71 2HB ARG 71 8.704 -6.837 -0.081 458 1HG ARG 71 1HG ARG 71 10.617 -5.215 -0.182 459 2HG ARG 71 2HG ARG 71 9.745 -4.151 0.938 460 1HD ARG 71 1HD ARG 71 11.335 -5.487 2.202 461 2HD ARG 71 2HD ARG 71 9.707 -6.056 2.605 462 HE ARG 71 HE ARG 71 10.599 -7.616 0.426 463 1HH1 ARG 71 1HH1 ARG 71 11.558 -7.036 3.761 464 2HH1 ARG 71 2HH1 ARG 71 12.253 -8.610 3.968 465 1HH2 ARG 71 1HH2 ARG 71 11.515 -9.691 0.699 466 2HH2 ARG 71 2HH2 ARG 71 12.228 -10.128 2.215 467 H SER 72 H SER 72 9.448 -6.440 -2.796 468 HA SER 72 HA SER 72 11.542 -4.501 -2.995 469 1HB SER 72 1HB SER 72 12.771 -6.167 -4.126 470 2HB SER 72 2HB SER 72 11.807 -7.078 -2.948 471 HG SER 72 HG SER 72 11.916 -7.813 -5.321 472 H PHE 73 H PHE 73 11.865 -3.070 -4.703 473 HA PHE 73 HA PHE 73 11.242 -3.314 -7.284 474 1HB PHE 73 1HB PHE 73 8.850 -3.053 -5.584 475 2HB PHE 73 2HB PHE 73 8.941 -1.692 -6.706 476 HD1 PHE 73 1HD PHE 73 10.078 -2.967 -9.097 477 HD2 PHE 73 2HD PHE 73 7.147 -4.398 -6.383 478 HE1 PHE 73 1HE PHE 73 9.110 -4.412 -10.905 479 HE2 PHE 73 2HE PHE 73 6.179 -5.844 -8.191 480 HZ PHE 73 HZ PHE 73 7.171 -5.833 -10.430 481 H GLU 74 H GLU 74 10.480 -0.937 -8.267 482 HA GLU 74 HA GLU 74 12.382 0.830 -7.014 483 1HB GLU 74 1HB GLU 74 12.391 0.335 -9.491 484 2HB GLU 74 2HB GLU 74 10.862 1.218 -9.625 485 1HG GLU 74 1HG GLU 74 12.403 3.012 -8.225 486 2HG GLU 74 2HG GLU 74 13.635 2.230 -9.228 487 HE2 GLU 74 HE2 GLU 74 12.251 3.539 -12.160 488 H GLY 75 H GLY 75 11.589 2.085 -5.373 489 1HA GLY 75 1HA GLY 75 8.798 2.905 -5.404 490 2HA GLY 75 2HA GLY 75 9.962 3.111 -4.112 491 H PHE 76 H PHE 76 8.330 5.253 -4.760 492 HA PHE 76 HA PHE 76 10.283 7.077 -5.948 493 1HB PHE 76 1HB PHE 76 8.746 7.704 -7.562 494 2HB PHE 76 2HB PHE 76 7.924 6.187 -7.178 495 HD1 PHE 76 1HD PHE 76 6.161 6.295 -5.286 496 HD2 PHE 76 2HD PHE 76 7.638 9.719 -7.309 497 HE1 PHE 76 1HE PHE 76 4.134 7.592 -4.572 498 HE2 PHE 76 2HE PHE 76 5.611 11.016 -6.596 499 HZ PHE 76 HZ PHE 76 3.884 9.937 -5.236 500 H LEU 77 H LEU 77 10.573 8.956 -4.792 501 HA LEU 77 HA LEU 77 9.631 9.156 -2.214 502 1HB LEU 77 1HB LEU 77 10.753 11.175 -4.137 503 2HB LEU 77 2HB LEU 77 10.361 11.578 -2.455 504 HG LEU 77 HG LEU 77 12.505 11.053 -2.076 505 1HD1 LEU 77 1HD1 LEU 77 11.428 9.250 -0.913 506 2HD1 LEU 77 2HD1 LEU 77 11.380 8.259 -2.389 507 3HD1 LEU 77 3HD1 LEU 77 12.941 8.645 -1.624 508 1HD2 LEU 77 1HD2 LEU 77 12.533 9.315 -4.560 509 2HD2 LEU 77 2HD2 LEU 77 13.039 11.019 -4.463 510 3HD2 LEU 77 3HD2 LEU 77 13.946 9.770 -3.577 511 H PHE 78 H PHE 78 8.416 11.351 -1.480 512 HA PHE 78 HA PHE 78 5.784 11.036 -2.593 513 1HB PHE 78 1HB PHE 78 5.186 11.985 -0.537 514 2HB PHE 78 2HB PHE 78 6.826 11.494 -0.098 515 HD1 PHE 78 1HD PHE 78 8.675 13.305 -0.644 516 HD2 PHE 78 2HD PHE 78 4.547 14.156 -0.148 517 HE1 PHE 78 1HE PHE 78 9.232 15.695 -0.110 518 HE2 PHE 78 2HE PHE 78 5.103 16.546 0.386 519 HZ PHE 78 HZ PHE 78 7.438 17.286 0.398 520 H ASP 79 H ASP 79 8.504 13.287 -2.817 521 HA ASP 79 HA ASP 79 7.118 15.551 -3.545 522 1HB ASP 79 1HB ASP 79 9.803 14.696 -3.367 523 2HB ASP 79 2HB ASP 79 9.617 15.219 -5.047 524 HD2 ASP 79 HD2 ASP 79 8.724 18.156 -2.561 525 H GLY 80 H GLY 80 8.801 13.052 -5.613 526 1HA GLY 80 1HA GLY 80 6.873 12.560 -7.455 527 2HA GLY 80 2HA GLY 80 7.589 14.054 -8.030 528 H THR 81 H THR 81 10.282 13.329 -6.776 529 HA THR 81 HA THR 81 11.302 11.946 -9.059 530 HB THR 81 HB THR 81 12.466 13.066 -6.466 531 HG1 THR 81 1HG THR 81 11.728 14.489 -8.235 532 1HG2 THR 81 1HG2 THR 81 14.041 11.324 -7.075 533 2HG2 THR 81 2HG2 THR 81 13.831 11.658 -8.812 534 3HG2 THR 81 3HG2 THR 81 14.680 12.830 -7.775 535 H ARG 82 H ARG 82 12.301 9.915 -9.194 536 HA ARG 82 HA ARG 82 11.081 8.033 -7.448 537 1HB ARG 82 1HB ARG 82 11.992 6.354 -8.945 538 2HB ARG 82 2HB ARG 82 11.411 7.693 -9.949 539 1HG ARG 82 1HG ARG 82 13.803 8.593 -9.896 540 2HG ARG 82 2HG ARG 82 14.286 7.050 -9.169 541 1HD ARG 82 1HD ARG 82 13.011 6.002 -11.226 542 2HD ARG 82 2HD ARG 82 13.212 7.606 -11.950 543 HE ARG 82 HE ARG 82 15.733 6.841 -10.920 544 1HH1 ARG 82 1HH1 ARG 82 13.478 5.723 -13.380 545 2HH1 ARG 82 2HH1 ARG 82 14.712 5.033 -14.380 546 1HH2 ARG 82 1HH2 ARG 82 17.362 5.933 -12.239 547 2HH2 ARG 82 2HH2 ARG 82 16.936 5.153 -13.728 548 H TRP 83 H TRP 83 12.134 6.698 -5.895 549 HA TRP 83 HA TRP 83 14.786 7.648 -5.127 550 1HB TRP 83 1HB TRP 83 13.208 7.775 -3.377 551 2HB TRP 83 2HB TRP 83 12.623 6.135 -3.671 552 HD1 TRP 83 HD TRP 83 13.617 4.392 -2.005 553 HE1 TRP 83 1HE TRP 83 15.715 4.133 -0.426 554 HE3 TRP 83 3HE TRP 83 15.871 8.727 -3.415 555 HZ2 TRP 83 2HZ TRP 83 18.031 5.733 0.045 556 HZ3 TRP 83 3HZ TRP 83 18.048 9.304 -2.348 557 HH2 TRP 83 HH TRP 83 19.128 7.887 -0.673 558 H GLY 84 H GLY 84 13.350 4.425 -4.482 559 1HA GLY 84 1HA GLY 84 14.528 2.939 -6.500 560 2HA GLY 84 2HA GLY 84 15.733 3.080 -5.235 561 H THR 85 H THR 85 14.498 2.902 -2.856 562 HA THR 85 HA THR 85 13.475 1.552 -1.411 563 HB THR 85 HB THR 85 11.814 0.633 -3.815 564 HG1 THR 85 1HG THR 85 11.343 2.676 -1.773 565 1HG2 THR 85 1HG2 THR 85 10.849 0.968 -0.960 566 2HG2 THR 85 2HG2 THR 85 10.179 -0.056 -2.254 567 3HG2 THR 85 3HG2 THR 85 11.675 -0.540 -1.421 568 H VAL 86 H VAL 86 13.695 -0.366 -4.489 569 HA VAL 86 HA VAL 86 14.740 -2.262 -4.934 570 HB VAL 86 HB VAL 86 16.361 -1.639 -2.461 571 1HG1 VAL 86 1HG1 VAL 86 16.411 -3.870 -4.358 572 2HG1 VAL 86 2HG1 VAL 86 17.977 -3.030 -4.229 573 3HG1 VAL 86 3HG1 VAL 86 17.201 -3.696 -2.771 574 1HG2 VAL 86 1HG2 VAL 86 16.188 -0.100 -4.713 575 2HG2 VAL 86 2HG2 VAL 86 17.620 -0.199 -3.658 576 3HG2 VAL 86 3HG2 VAL 86 17.532 -1.189 -5.136 577 H ASP 87 H ASP 87 14.691 -2.239 -1.298 578 HA ASP 87 HA ASP 87 12.753 -4.381 -1.450 579 1HB ASP 87 1HB ASP 87 15.359 -5.037 -1.128 580 2HB ASP 87 2HB ASP 87 14.963 -4.692 0.564 581 HD2 ASP 87 HD2 ASP 87 13.435 -7.725 0.921 582 H CYS 88 H CYS 88 11.151 -3.059 -0.443 583 HA CYS 88 HA CYS 88 11.757 -1.306 1.668 584 1HB CYS 88 1HB CYS 88 9.893 -0.737 0.428 585 2HB CYS 88 2HB CYS 88 9.226 -2.371 0.463 586 H THR 89 H THR 89 13.098 -3.114 2.822 587 HA THR 89 HA THR 89 11.313 -4.794 4.451 588 HB THR 89 HB THR 89 13.037 -5.951 3.027 589 HG1 THR 89 1HG THR 89 12.345 -6.430 5.415 590 1HG2 THR 89 1HG2 THR 89 15.101 -4.751 4.919 591 2HG2 THR 89 2HG2 THR 89 15.380 -5.668 3.419 592 3HG2 THR 89 3HG2 THR 89 14.771 -3.999 3.340 593 H THR 90 H THR 90 13.152 -1.910 4.465 594 HA THR 90 HA THR 90 13.773 -2.113 7.304 595 HB THR 90 HB THR 90 15.412 -1.159 5.654 596 HG1 THR 90 1HG THR 90 15.737 0.705 7.044 597 1HG2 THR 90 1HG2 THR 90 14.995 0.999 4.616 598 2HG2 THR 90 2HG2 THR 90 13.622 -0.043 4.171 599 3HG2 THR 90 3HG2 THR 90 13.439 1.169 5.460 600 H ALA 91 H ALA 91 11.849 0.046 5.111 601 HA ALA 91 HA ALA 91 10.470 1.055 7.464 602 1HB ALA 91 1HB ALA 91 11.211 2.694 5.846 603 2HB ALA 91 2HB ALA 91 10.441 1.799 4.512 604 3HB ALA 91 3HB ALA 91 9.438 2.593 5.750 605 H ALA 92 H ALA 92 8.436 0.434 8.071 606 HA ALA 92 HA ALA 92 7.328 -1.883 6.956 607 1HB ALA 92 1HB ALA 92 5.301 -0.991 8.399 608 2HB ALA 92 2HB ALA 92 6.799 -1.536 9.193 609 3HB ALA 92 3HB ALA 92 6.497 0.202 8.964 610 H CYS 93 H CYS 93 6.348 -2.092 5.012 611 HA CYS 93 HA CYS 93 5.365 0.255 3.693 612 1HB CYS 93 1HB CYS 93 4.797 -2.389 2.524 613 2HB CYS 93 2HB CYS 93 5.472 -0.934 1.787 614 H GLN 94 H GLN 94 3.259 0.971 3.808 615 HA GLN 94 HA GLN 94 1.371 -0.841 5.071 616 1HB GLN 94 1HB GLN 94 0.255 1.014 5.910 617 2HB GLN 94 2HB GLN 94 1.927 1.602 5.899 618 1HG GLN 94 1HG GLN 94 1.377 2.493 3.521 619 2HG GLN 94 2HG GLN 94 -0.320 2.229 3.950 620 1HE2 GLN 94 1HE2 GLN 94 2.667 3.885 4.797 621 2HE2 GLN 94 2HE2 GLN 94 1.968 5.205 5.672 622 H VAL 95 H VAL 95 -0.228 -1.781 3.870 623 HA VAL 95 HA VAL 95 -0.475 -0.952 1.108 624 HB VAL 95 HB VAL 95 -1.763 -3.224 2.632 625 1HG1 VAL 95 1HG1 VAL 95 -1.566 -2.590 -0.326 626 2HG1 VAL 95 2HG1 VAL 95 -2.005 -4.195 0.307 627 3HG1 VAL 95 3HG1 VAL 95 -3.036 -2.786 0.659 628 1HG2 VAL 95 1HG2 VAL 95 0.251 -4.189 2.642 629 2HG2 VAL 95 2HG2 VAL 95 0.185 -4.223 0.865 630 3HG2 VAL 95 3HG2 VAL 95 0.957 -2.854 1.700 631 H GLY 96 H GLY 96 -1.877 0.624 0.547 632 1HA GLY 96 1HA GLY 96 -4.583 0.559 1.530 633 2HA GLY 96 2HA GLY 96 -3.654 1.911 2.147 634 H LEU 97 H LEU 97 -5.825 2.519 0.587 635 HA LEU 97 HA LEU 97 -4.678 3.081 -2.054 636 1HB LEU 97 1HB LEU 97 -7.167 3.580 -2.541 637 2HB LEU 97 2HB LEU 97 -6.579 1.907 -2.499 638 HG LEU 97 HG LEU 97 -7.903 3.242 -0.133 639 1HD1 LEU 97 1HD1 LEU 97 -9.125 2.122 -2.597 640 2HD1 LEU 97 2HD1 LEU 97 -9.861 1.646 -1.047 641 3HD1 LEU 97 3HD1 LEU 97 -9.722 3.369 -1.473 642 1HD2 LEU 97 1HD2 LEU 97 -6.564 0.785 -0.463 643 2HD2 LEU 97 2HD2 LEU 97 -7.516 1.338 0.936 644 3HD2 LEU 97 3HD2 LEU 97 -8.298 0.402 -0.361 645 H SER 98 H SER 98 -4.345 5.177 -2.700 646 HA SER 98 HA SER 98 -4.971 7.159 -0.670 647 1HB SER 98 1HB SER 98 -3.175 8.472 -1.549 648 2HB SER 98 2HB SER 98 -2.569 6.809 -1.455 649 HG SER 98 HG SER 98 -2.712 6.605 -3.677 650 H ASP 99 H ASP 99 -5.762 9.320 -1.414 651 HA ASP 99 HA ASP 99 -7.880 9.036 -3.168 652 1HB ASP 99 1HB ASP 99 -6.666 11.745 -2.705 653 2HB ASP 99 2HB ASP 99 -8.368 11.261 -2.636 654 HD2 ASP 99 HD2 ASP 99 -7.147 11.939 0.724 655 H ALA 100 H ALA 100 -8.185 10.405 -5.237 656 HA ALA 100 HA ALA 100 -5.921 10.015 -6.943 657 1HB ALA 100 1HB ALA 100 -7.480 10.765 -8.693 658 2HB ALA 100 2HB ALA 100 -8.250 9.552 -7.644 659 3HB ALA 100 3HB ALA 100 -8.646 11.276 -7.450 660 H ALA 101 H ALA 101 -6.673 12.352 -4.673 661 HA ALA 101 HA ALA 101 -5.932 14.650 -6.241 662 1HB ALA 101 1HB ALA 101 -5.930 15.618 -3.787 663 2HB ALA 101 2HB ALA 101 -7.467 15.185 -4.573 664 3HB ALA 101 3HB ALA 101 -6.729 14.078 -3.392 665 H GLY 102 H GLY 102 -4.570 13.831 -3.024 666 1HA GLY 102 1HA GLY 102 -1.995 13.099 -3.964 667 2HA GLY 102 2HA GLY 102 -2.033 14.806 -3.571 668 H ASN 103 H ASN 103 -3.998 12.230 -1.992 669 HA ASN 103 HA ASN 103 -2.251 12.344 0.295 670 1HB ASN 103 1HB ASN 103 -5.222 12.673 0.769 671 2HB ASN 103 2HB ASN 103 -3.882 13.116 1.836 672 1HD2 ASN 103 1HD2 ASN 103 -5.525 13.879 -1.196 673 2HD2 ASN 103 2HD2 ASN 103 -5.143 15.568 -1.250 674 H GLY 104 H GLY 104 -2.651 10.473 1.762 675 1HA GLY 104 1HA GLY 104 -4.741 8.643 1.457 676 2HA GLY 104 2HA GLY 104 -3.429 8.122 0.417 677 HA PRO 105 HA PRO 105 -1.683 8.080 4.818 678 1HB PRO 105 1HB PRO 105 -3.225 8.894 6.922 679 2HB PRO 105 2HB PRO 105 -2.069 9.948 6.110 680 1HG PRO 105 1HG PRO 105 -5.009 9.851 5.908 681 2HG PRO 105 2HG PRO 105 -3.899 11.199 5.473 682 1HD PRO 105 1HD PRO 105 -5.266 9.386 3.729 683 2HD PRO 105 2HD PRO 105 -4.059 10.590 3.261 684 H GLU 106 H GLU 106 -4.427 6.789 3.700 685 HA GLU 106 HA GLU 106 -4.874 5.027 5.901 686 1HB GLU 106 1HB GLU 106 -6.175 5.703 3.354 687 2HB GLU 106 2HB GLU 106 -6.238 3.969 3.709 688 1HG GLU 106 1HG GLU 106 -6.967 6.067 5.778 689 2HG GLU 106 2HG GLU 106 -8.161 5.457 4.622 690 HE2 GLU 106 HE2 GLU 106 -8.086 3.402 7.685 691 H GLY 107 H GLY 107 -4.565 2.687 5.844 692 1HA GLY 107 1HA GLY 107 -3.706 0.945 4.146 693 2HA GLY 107 2HA GLY 107 -2.265 1.942 4.165 694 H VAL 108 H VAL 108 -2.707 -0.895 5.095 695 HA VAL 108 HA VAL 108 -2.152 -0.549 7.952 696 HB VAL 108 HB VAL 108 -4.039 -2.030 7.086 697 1HG1 VAL 108 1HG1 VAL 108 -2.759 -3.053 5.225 698 2HG1 VAL 108 2HG1 VAL 108 -1.718 -3.872 6.415 699 3HG1 VAL 108 3HG1 VAL 108 -3.452 -4.268 6.326 700 1HG2 VAL 108 1HG2 VAL 108 -1.886 -3.092 8.939 701 2HG2 VAL 108 2HG2 VAL 108 -3.356 -2.185 9.373 702 3HG2 VAL 108 3HG2 VAL 108 -3.489 -3.847 8.750 703 H ALA 109 H ALA 109 -0.122 -0.889 8.732 704 HA ALA 109 HA ALA 109 1.996 -1.235 6.903 705 1HB ALA 109 1HB ALA 109 1.624 -0.353 9.546 706 2HB ALA 109 2HB ALA 109 2.667 -1.788 9.689 707 3HB ALA 109 3HB ALA 109 3.162 -0.428 8.652 708 H ILE 110 H ILE 110 1.709 -3.187 5.742 709 HA ILE 110 HA ILE 110 1.382 -5.633 7.216 710 HB ILE 110 HB ILE 110 0.625 -4.804 4.755 711 1HG1 ILE 110 1HG1 ILE 110 0.008 -7.133 4.335 712 2HG1 ILE 110 2HG1 ILE 110 1.083 -7.667 5.639 713 1HG2 ILE 110 1HG2 ILE 110 2.735 -6.800 4.042 714 2HG2 ILE 110 2HG2 ILE 110 1.915 -5.587 3.032 715 3HG2 ILE 110 3HG2 ILE 110 3.180 -5.083 4.178 716 1HD1 ILE 110 1HD1 ILE 110 -0.577 -7.305 7.131 717 2HD1 ILE 110 2HD1 ILE 110 -0.606 -5.584 6.676 718 3HD1 ILE 110 3HD1 ILE 110 -1.638 -6.749 5.814 719 H SER 111 H SER 111 2.924 -7.480 6.942 720 HA SER 111 HA SER 111 5.406 -7.330 5.958 721 1HB SER 111 1HB SER 111 6.721 -6.885 8.179 722 2HB SER 111 2HB SER 111 6.172 -5.503 7.214 723 HG SER 111 HG SER 111 5.661 -5.991 9.784 724 H PHE 112 H PHE 112 4.430 -7.921 9.418 725 HA PHE 112 HA PHE 112 4.179 -10.733 8.909 726 1HB PHE 112 1HB PHE 112 6.047 -11.358 10.357 727 2HB PHE 112 2HB PHE 112 6.692 -10.187 9.204 728 HD1 PHE 112 1HD PHE 112 6.075 -10.939 12.670 729 HD2 PHE 112 2HD PHE 112 7.023 -7.814 9.962 730 HE1 PHE 112 1HE PHE 112 6.883 -9.528 14.582 731 HE2 PHE 112 2HE PHE 112 7.829 -6.402 11.873 732 HZ PHE 112 HZ PHE 112 7.749 -7.274 14.161 733 H ASN 113 H ASN 113 2.419 -11.318 10.081 734 HA ASN 113 HA ASN 113 1.053 -9.806 11.757 735 1HB ASN 113 1HB ASN 113 0.564 -12.204 10.915 736 2HB ASN 113 2HB ASN 113 1.454 -12.783 12.331 737 1HD2 ASN 113 1HD2 ASN 113 -1.474 -12.626 11.281 738 2HD2 ASN 113 2HD2 ASN 113 -2.394 -12.155 12.671 739 6H NCZ 130 6H NCZ 130 0.853 13.954 0.775 740 6H1 NCZ 130 6H1 NCZ 130 -0.666 11.502 1.198 741 5H1 NCZ 130 5H1 NCZ 130 0.979 12.136 3.168 742 4H1 NCZ 130 4H1 NCZ 130 3.464 11.609 2.098 743 5H NCZ 130 5H NCZ 130 3.045 12.288 -1.447 744 3H1 NCZ 130 3H1 NCZ 130 3.000 10.456 -0.001 745 2H1 NCZ 130 2H1 NCZ 130 1.176 11.709 -1.017 746 2H NCZ 130 2H NCZ 130 -0.024 8.605 -4.141 747 8H NCZ 130 8H NCZ 130 -0.571 5.443 -3.965 748 7H NCZ 130 7H NCZ 130 -1.167 4.153 -1.944 749 3H NCZ 130 3H NCZ 130 -0.548 4.792 2.674 750 1H17 NCZ 130 1H17 NCZ 130 1.129 8.445 4.668 751 2H17 NCZ 130 2H17 NCZ 130 1.757 8.772 3.035 752 3H17 NCZ 130 3H17 NCZ 130 0.028 9.002 3.387 753 1H18 NCZ 130 1H18 NCZ 130 -1.095 3.079 -0.467 754 2H18 NCZ 130 2H18 NCZ 130 -0.987 2.946 1.304 755 3H18 NCZ 130 3H18 NCZ 130 -2.401 3.723 0.556 756 1H NCZ 130 1H NCZ 130 1.117 8.282 0.939 Start of MODEL 34 1 H ALA 1 H ALA 1 -12.106 -6.911 6.660 2 HA ALA 1 HA ALA 1 -13.569 -7.317 8.521 3 1HB ALA 1 1HB ALA 1 -10.773 -6.897 8.647 4 2HB ALA 1 2HB ALA 1 -11.444 -6.150 10.116 5 3HB ALA 1 3HB ALA 1 -11.775 -7.862 9.758 6 H ALA 2 H ALA 2 -12.733 -3.994 7.794 7 HA ALA 2 HA ALA 2 -14.708 -2.576 8.349 8 1HB ALA 2 1HB ALA 2 -13.914 -3.644 11.080 9 2HB ALA 2 2HB ALA 2 -14.915 -2.188 10.864 10 3HB ALA 2 3HB ALA 2 -15.496 -3.763 10.272 11 HA PRO 3 HA PRO 3 -10.881 -0.391 10.120 12 1HB PRO 3 1HB PRO 3 -8.554 -1.807 10.324 13 2HB PRO 3 2HB PRO 3 -9.641 -1.537 11.685 14 1HG PRO 3 1HG PRO 3 -9.233 -3.948 10.032 15 2HG PRO 3 2HG PRO 3 -9.956 -3.823 11.677 16 1HD PRO 3 1HD PRO 3 -11.286 -4.220 9.171 17 2HD PRO 3 2HD PRO 3 -12.053 -3.943 10.740 18 H THR 4 H THR 4 -11.754 -0.163 7.722 19 HA THR 4 HA THR 4 -11.231 0.347 5.622 20 HB THR 4 HB THR 4 -9.492 1.880 5.521 21 HG1 THR 4 1HG THR 4 -8.001 -0.142 7.043 22 1HG2 THR 4 1HG2 THR 4 -10.420 1.915 8.012 23 2HG2 THR 4 2HG2 THR 4 -8.847 1.178 8.406 24 3HG2 THR 4 3HG2 THR 4 -8.911 2.782 7.635 25 H ALA 5 H ALA 5 -8.921 -0.022 4.027 26 HA ALA 5 HA ALA 5 -9.267 -2.790 3.445 27 1HB ALA 5 1HB ALA 5 -8.663 -0.523 2.012 28 2HB ALA 5 2HB ALA 5 -7.069 -1.308 2.127 29 3HB ALA 5 3HB ALA 5 -8.444 -2.187 1.416 30 H THR 6 H THR 6 -8.055 -4.501 4.116 31 HA THR 6 HA THR 6 -5.363 -3.947 5.130 32 HB THR 6 HB THR 6 -6.134 -5.700 7.001 33 HG1 THR 6 1HG THR 6 -8.522 -4.266 6.066 34 1HG2 THR 6 1HG2 THR 6 -5.937 -3.855 8.330 35 2HG2 THR 6 2HG2 THR 6 -6.073 -2.813 6.893 36 3HG2 THR 6 3HG2 THR 6 -7.535 -3.296 7.785 37 H VAL 7 H VAL 7 -3.867 -5.602 4.841 38 HA VAL 7 HA VAL 7 -4.714 -7.541 2.861 39 HB VAL 7 HB VAL 7 -2.120 -6.452 3.882 40 1HG1 VAL 7 1HG1 VAL 7 -2.541 -9.212 3.102 41 2HG1 VAL 7 2HG1 VAL 7 -1.450 -8.391 1.959 42 3HG1 VAL 7 3HG1 VAL 7 -1.068 -8.412 3.696 43 1HG2 VAL 7 1HG2 VAL 7 -3.649 -6.518 1.319 44 2HG2 VAL 7 2HG2 VAL 7 -2.707 -5.203 2.062 45 3HG2 VAL 7 3HG2 VAL 7 -1.872 -6.528 1.216 46 H THR 8 H THR 8 -5.538 -9.452 3.522 47 HA THR 8 HA THR 8 -5.506 -10.380 6.116 48 HB THR 8 HB THR 8 -6.058 -11.462 3.367 49 HG1 THR 8 1HG THR 8 -8.017 -11.994 4.760 50 1HG2 THR 8 1HG2 THR 8 -4.777 -13.325 4.627 51 2HG2 THR 8 2HG2 THR 8 -6.081 -13.262 5.837 52 3HG2 THR 8 3HG2 THR 8 -6.446 -13.719 4.156 53 HA PRO 9 HA PRO 9 -1.781 -13.054 5.263 54 1HB PRO 9 1HB PRO 9 -0.704 -13.279 2.764 55 2HB PRO 9 2HB PRO 9 -1.902 -14.403 3.402 56 1HG PRO 9 1HG PRO 9 -2.209 -12.205 1.459 57 2HG PRO 9 2HG PRO 9 -3.288 -13.620 1.733 58 1HD PRO 9 1HD PRO 9 -3.684 -10.900 2.534 59 2HD PRO 9 2HD PRO 9 -4.696 -12.285 2.965 60 H SER 10 H SER 10 -1.690 -10.543 6.123 61 HA SER 10 HA SER 10 0.509 -9.292 4.768 62 1HB SER 10 1HB SER 10 0.181 -7.493 6.465 63 2HB SER 10 2HB SER 10 -1.305 -7.872 5.576 64 HG SER 10 HG SER 10 -1.123 -7.719 8.155 65 H SER 11 H SER 11 0.240 -11.839 6.873 66 HA SER 11 HA SER 11 2.402 -11.016 8.597 67 1HB SER 11 1HB SER 11 1.931 -12.989 9.875 68 2HB SER 11 2HB SER 11 0.362 -12.281 9.446 69 HG SER 11 HG SER 11 -0.041 -13.932 8.045 70 H GLY 12 H GLY 12 4.526 -11.636 8.276 71 1HA GLY 12 1HA GLY 12 6.296 -12.386 7.078 72 2HA GLY 12 2HA GLY 12 5.556 -13.948 7.373 73 H LEU 13 H LEU 13 4.526 -11.158 5.283 74 HA LEU 13 HA LEU 13 3.831 -12.944 3.180 75 1HB LEU 13 1HB LEU 13 3.551 -10.700 1.961 76 2HB LEU 13 2HB LEU 13 2.452 -11.123 3.284 77 HG LEU 13 HG LEU 13 3.843 -9.690 4.794 78 1HD1 LEU 13 1HD1 LEU 13 5.940 -9.396 3.973 79 2HD1 LEU 13 2HD1 LEU 13 5.398 -9.352 2.278 80 3HD1 LEU 13 3HD1 LEU 13 5.190 -7.923 3.317 81 1HD2 LEU 13 1HD2 LEU 13 2.532 -7.910 4.365 82 2HD2 LEU 13 2HD2 LEU 13 3.013 -7.825 2.655 83 3HD2 LEU 13 3HD2 LEU 13 1.786 -9.004 3.175 84 H SER 14 H SER 14 4.677 -12.288 0.835 85 HA SER 14 HA SER 14 7.543 -11.849 1.019 86 1HB SER 14 1HB SER 14 6.780 -14.352 0.832 87 2HB SER 14 2HB SER 14 6.444 -13.952 -0.864 88 HG SER 14 HG SER 14 8.653 -13.374 -1.135 89 H ASP 15 H ASP 15 8.498 -11.064 -1.040 90 HA ASP 15 HA ASP 15 6.897 -9.188 -2.255 91 1HB ASP 15 1HB ASP 15 8.772 -9.037 -3.934 92 2HB ASP 15 2HB ASP 15 9.314 -8.961 -2.251 93 HD2 ASP 15 HD2 ASP 15 11.444 -11.241 -4.123 94 H GLY 16 H GLY 16 5.027 -9.947 -3.342 95 1HA GLY 16 1HA GLY 16 4.329 -10.536 -5.578 96 2HA GLY 16 2HA GLY 16 5.505 -11.835 -5.570 97 H THR 17 H THR 17 3.695 -11.115 -2.607 98 HA THR 17 HA THR 17 2.371 -13.708 -2.878 99 HB THR 17 HB THR 17 3.311 -11.906 -0.655 100 HG1 THR 17 1HG THR 17 3.960 -14.070 0.017 101 1HG2 THR 17 1HG2 THR 17 1.917 -13.434 0.912 102 2HG2 THR 17 2HG2 THR 17 1.025 -12.121 0.109 103 3HG2 THR 17 3HG2 THR 17 0.905 -13.787 -0.510 104 H VAL 18 H VAL 18 0.275 -13.945 -3.342 105 HA VAL 18 HA VAL 18 -1.260 -11.617 -3.902 106 HB VAL 18 HB VAL 18 -2.396 -14.380 -3.688 107 1HG1 VAL 18 1HG1 VAL 18 -3.411 -13.562 -5.920 108 2HG1 VAL 18 2HG1 VAL 18 -3.995 -12.823 -4.409 109 3HG1 VAL 18 3HG1 VAL 18 -2.826 -11.952 -5.431 110 1HG2 VAL 18 1HG2 VAL 18 -1.480 -14.486 -6.202 111 2HG2 VAL 18 2HG2 VAL 18 -0.177 -13.508 -5.485 112 3HG2 VAL 18 3HG2 VAL 18 -0.552 -15.114 -4.819 113 H VAL 19 H VAL 19 -2.263 -10.381 -2.409 114 HA VAL 19 HA VAL 19 -3.268 -11.766 -0.018 115 HB VAL 19 HB VAL 19 -2.715 -9.867 1.292 116 1HG1 VAL 19 1HG1 VAL 19 -0.491 -10.267 1.457 117 2HG1 VAL 19 2HG1 VAL 19 -0.837 -11.510 0.230 118 3HG1 VAL 19 3HG1 VAL 19 -0.191 -9.927 -0.264 119 1HG2 VAL 19 1HG2 VAL 19 -3.141 -7.943 0.097 120 2HG2 VAL 19 2HG2 VAL 19 -1.362 -7.964 0.056 121 3HG2 VAL 19 3HG2 VAL 19 -2.293 -8.523 -1.357 122 H LYS 20 H LYS 20 -5.170 -10.595 1.004 123 HA LYS 20 HA LYS 20 -6.814 -9.449 -1.144 124 1HB LYS 20 1HB LYS 20 -7.347 -11.762 -0.065 125 2HB LYS 20 2HB LYS 20 -7.976 -10.794 1.279 126 1HG LYS 20 1HG LYS 20 -9.039 -9.515 -0.941 127 2HG LYS 20 2HG LYS 20 -9.073 -11.217 -1.438 128 1HD LYS 20 1HD LYS 20 -9.991 -11.359 1.162 129 2HD LYS 20 2HD LYS 20 -10.651 -9.799 0.640 130 1HE LYS 20 1HE LYS 20 -12.028 -10.765 -0.944 131 2HE LYS 20 2HE LYS 20 -10.925 -12.112 -1.258 132 1HZ LYS 20 1HZ LYS 20 -12.682 -11.767 1.066 133 2HZ LYS 20 2HZ LYS 20 -12.797 -12.909 -0.095 134 3HZ LYS 20 3HZ LYS 20 -11.550 -12.941 0.959 135 H VAL 21 H VAL 21 -7.118 -7.303 -0.946 136 HA VAL 21 HA VAL 21 -6.721 -6.112 1.675 137 HB VAL 21 HB VAL 21 -7.340 -4.545 -0.786 138 1HG1 VAL 21 1HG1 VAL 21 -5.946 -2.909 0.185 139 2HG1 VAL 21 2HG1 VAL 21 -6.856 -3.600 1.551 140 3HG1 VAL 21 3HG1 VAL 21 -5.168 -4.091 1.268 141 1HG2 VAL 21 1HG2 VAL 21 -5.821 -5.798 -1.935 142 2HG2 VAL 21 2HG2 VAL 21 -4.680 -4.726 -1.089 143 3HG2 VAL 21 3HG2 VAL 21 -4.999 -6.360 -0.460 144 H ALA 22 H ALA 22 -8.596 -6.702 2.827 145 HA ALA 22 HA ALA 22 -11.158 -6.099 1.614 146 1HB ALA 22 1HB ALA 22 -10.166 -7.534 4.070 147 2HB ALA 22 2HB ALA 22 -11.848 -6.958 4.017 148 3HB ALA 22 3HB ALA 22 -11.262 -8.103 2.789 149 H GLY 23 H GLY 23 -11.867 -4.025 1.647 150 1HA GLY 23 1HA GLY 23 -11.090 -2.354 3.956 151 2HA GLY 23 2HA GLY 23 -11.436 -1.767 2.340 152 H ALA 24 H ALA 24 -12.680 -1.314 5.159 153 HA ALA 24 HA ALA 24 -15.420 -1.451 4.198 154 1HB ALA 24 1HB ALA 24 -15.825 -2.201 6.777 155 2HB ALA 24 2HB ALA 24 -15.696 -3.356 5.428 156 3HB ALA 24 3HB ALA 24 -14.281 -3.026 6.456 157 H GLY 25 H GLY 25 -16.210 0.580 4.380 158 1HA GLY 25 1HA GLY 25 -16.811 2.494 5.488 159 2HA GLY 25 2HA GLY 25 -15.739 2.086 6.816 160 H LEU 26 H LEU 26 -14.152 1.659 3.795 161 HA LEU 26 HA LEU 26 -12.408 3.833 4.334 162 1HB LEU 26 1HB LEU 26 -11.783 1.625 3.377 163 2HB LEU 26 2HB LEU 26 -12.575 2.103 1.865 164 HG LEU 26 HG LEU 26 -10.561 2.829 1.244 165 1HD1 LEU 26 1HD1 LEU 26 -9.848 5.082 2.215 166 2HD1 LEU 26 2HD1 LEU 26 -11.465 4.982 1.474 167 3HD1 LEU 26 3HD1 LEU 26 -11.295 4.962 3.246 168 1HD2 LEU 26 1HD2 LEU 26 -9.392 3.275 3.952 169 2HD2 LEU 26 2HD2 LEU 26 -9.761 1.605 3.459 170 3HD2 LEU 26 3HD2 LEU 26 -8.657 2.599 2.478 171 H GLN 27 H GLN 27 -13.126 3.518 0.954 172 HA GLN 27 HA GLN 27 -13.508 6.166 0.570 173 1HB GLN 27 1HB GLN 27 -14.380 3.728 -0.994 174 2HB GLN 27 2HB GLN 27 -14.741 5.358 -1.594 175 1HG GLN 27 1HG GLN 27 -11.954 4.417 -0.806 176 2HG GLN 27 2HG GLN 27 -12.574 4.326 -2.462 177 1HE2 GLN 27 1HE2 GLN 27 -11.651 6.408 0.197 178 2HE2 GLN 27 2HE2 GLN 27 -11.439 7.874 -0.699 179 H ALA 28 H ALA 28 -15.730 3.843 1.925 180 HA ALA 28 HA ALA 28 -17.789 4.020 2.713 181 1HB ALA 28 1HB ALA 28 -18.538 6.123 3.519 182 2HB ALA 28 2HB ALA 28 -16.762 6.224 3.571 183 3HB ALA 28 3HB ALA 28 -17.659 7.015 2.254 184 H GLY 29 H GLY 29 -17.023 4.047 -0.320 185 1HA GLY 29 1HA GLY 29 -18.915 3.330 -1.755 186 2HA GLY 29 2HA GLY 29 -19.699 4.833 -1.311 187 H THR 30 H THR 30 -16.569 5.790 -1.304 188 HA THR 30 HA THR 30 -16.788 6.911 -3.955 189 HB THR 30 HB THR 30 -14.406 7.242 -2.114 190 HG1 THR 30 1HG THR 30 -15.764 8.306 -0.654 191 1HG2 THR 30 1HG2 THR 30 -15.597 8.661 -4.339 192 2HG2 THR 30 2HG2 THR 30 -15.755 9.675 -2.882 193 3HG2 THR 30 3HG2 THR 30 -14.149 9.109 -3.404 194 H ALA 31 H ALA 31 -13.993 7.086 -4.579 195 HA ALA 31 HA ALA 31 -13.203 4.305 -4.929 196 1HB ALA 31 1HB ALA 31 -12.971 4.574 -7.348 197 2HB ALA 31 2HB ALA 31 -14.656 4.890 -6.870 198 3HB ALA 31 3HB ALA 31 -13.567 6.247 -7.247 199 H TYR 32 H TYR 32 -11.078 4.150 -4.417 200 HA TYR 32 HA TYR 32 -9.439 6.560 -4.828 201 1HB TYR 32 1HB TYR 32 -10.026 4.741 -2.526 202 2HB TYR 32 2HB TYR 32 -8.297 4.994 -2.779 203 HD1 TYR 32 1HD TYR 32 -8.297 6.030 -0.485 204 HD2 TYR 32 2HD TYR 32 -10.482 7.725 -3.751 205 HE1 TYR 32 1HE TYR 32 -8.458 8.241 0.761 206 HE2 TYR 32 2HE TYR 32 -10.636 9.929 -2.494 207 HH TYR 32 HH TYR 32 -10.110 10.212 0.719 208 H ASP 33 H ASP 33 -6.959 5.828 -4.603 209 HA ASP 33 HA ASP 33 -6.723 3.672 -6.524 210 1HB ASP 33 1HB ASP 33 -5.686 6.098 -6.701 211 2HB ASP 33 2HB ASP 33 -4.438 5.448 -5.625 212 HD2 ASP 33 HD2 ASP 33 -4.397 3.246 -8.845 213 H VAL 34 H VAL 34 -5.827 1.700 -5.861 214 HA VAL 34 HA VAL 34 -4.946 1.504 -3.113 215 HB VAL 34 HB VAL 34 -6.253 -0.148 -5.012 216 1HG1 VAL 34 1HG1 VAL 34 -5.004 -2.191 -4.998 217 2HG1 VAL 34 2HG1 VAL 34 -3.913 -0.909 -5.576 218 3HG1 VAL 34 3HG1 VAL 34 -3.778 -1.507 -3.906 219 1HG2 VAL 34 1HG2 VAL 34 -5.643 -0.112 -2.111 220 2HG2 VAL 34 2HG2 VAL 34 -7.189 -0.358 -2.961 221 3HG2 VAL 34 3HG2 VAL 34 -6.038 -1.707 -2.799 222 H GLY 35 H GLY 35 -2.857 1.002 -2.428 223 1HA GLY 35 1HA GLY 35 -0.780 0.070 -4.009 224 2HA GLY 35 2HA GLY 35 -0.738 1.815 -4.131 225 H GLN 36 H GLN 36 1.179 -0.081 -2.804 226 HA GLN 36 HA GLN 36 0.784 0.549 -0.019 227 1HB GLN 36 1HB GLN 36 2.550 -1.006 0.427 228 2HB GLN 36 2HB GLN 36 1.537 -1.742 -0.824 229 1HG GLN 36 1HG GLN 36 3.502 -0.164 -2.161 230 2HG GLN 36 2HG GLN 36 4.359 -1.079 -0.911 231 1HE2 GLN 36 1HE2 GLN 36 4.485 -1.332 -3.790 232 2HE2 GLN 36 2HE2 GLN 36 4.013 -2.948 -4.202 233 H CYS 37 H CYS 37 1.419 2.564 0.634 234 HA CYS 37 HA CYS 37 3.806 3.665 -0.652 235 1HB CYS 37 1HB CYS 37 1.469 4.834 -0.654 236 2HB CYS 37 2HB CYS 37 1.911 5.305 0.991 237 H ALA 38 H ALA 38 5.451 4.620 0.750 238 HA ALA 38 HA ALA 38 5.229 4.653 3.540 239 1HB ALA 38 1HB ALA 38 7.071 2.711 3.705 240 2HB ALA 38 2HB ALA 38 5.328 2.365 3.799 241 3HB ALA 38 3HB ALA 38 6.203 2.118 2.269 242 H TRP 39 H TRP 39 7.253 5.401 4.535 243 HA TRP 39 HA TRP 39 8.643 7.158 2.866 244 1HB TRP 39 1HB TRP 39 10.176 7.344 4.872 245 2HB TRP 39 2HB TRP 39 8.479 7.768 5.102 246 HD1 TRP 39 HD TRP 39 6.992 5.969 6.589 247 HE1 TRP 39 1HE TRP 39 7.614 4.211 8.456 248 HE3 TRP 39 3HE TRP 39 11.959 5.798 5.511 249 HZ2 TRP 39 2HZ TRP 39 10.059 2.976 9.255 250 HZ3 TRP 39 3HZ TRP 39 13.393 4.290 6.881 251 HH2 TRP 39 HH TRP 39 12.520 2.910 8.699 252 H VAL 40 H VAL 40 10.115 6.619 1.312 253 HA VAL 40 HA VAL 40 11.537 4.087 1.632 254 HB VAL 40 HB VAL 40 10.142 4.999 -0.449 255 1HG1 VAL 40 1HG1 VAL 40 12.956 5.871 -1.161 256 2HG1 VAL 40 2HG1 VAL 40 11.474 6.047 -2.130 257 3HG1 VAL 40 3HG1 VAL 40 11.684 7.001 -0.641 258 1HG2 VAL 40 1HG2 VAL 40 12.388 3.121 -0.117 259 2HG2 VAL 40 2HG2 VAL 40 10.797 2.889 -0.879 260 3HG2 VAL 40 3HG2 VAL 40 12.119 3.650 -1.797 261 H ASP 41 H ASP 41 12.001 7.627 1.144 262 HA ASP 41 HA ASP 41 14.834 7.304 1.197 263 1HB ASP 41 1HB ASP 41 13.176 9.175 0.126 264 2HB ASP 41 2HB ASP 41 13.574 9.989 1.645 265 HD2 ASP 41 HD2 ASP 41 16.575 9.387 -0.913 266 H THR 42 H THR 42 15.232 9.863 2.770 267 HA THR 42 HA THR 42 15.307 8.676 5.381 268 HB THR 42 HB THR 42 17.054 10.216 4.217 269 HG1 THR 42 1HG THR 42 16.667 9.629 6.614 270 1HG2 THR 42 1HG2 THR 42 16.691 12.510 4.115 271 2HG2 THR 42 2HG2 THR 42 14.999 11.999 3.913 272 3HG2 THR 42 3HG2 THR 42 15.592 12.493 5.517 273 H GLY 43 H GLY 43 12.732 8.468 4.944 274 1HA GLY 43 1HA GLY 43 10.961 8.948 6.395 275 2HA GLY 43 2HA GLY 43 11.603 10.553 6.675 276 H VAL 44 H VAL 44 11.973 9.979 3.378 277 HA VAL 44 HA VAL 44 9.771 11.711 2.770 278 HB VAL 44 HB VAL 44 11.710 10.318 0.916 279 1HG1 VAL 44 1HG1 VAL 44 9.997 11.211 -0.407 280 2HG1 VAL 44 2HG1 VAL 44 9.811 12.648 0.628 281 3HG1 VAL 44 3HG1 VAL 44 11.241 12.484 -0.420 282 1HG2 VAL 44 1HG2 VAL 44 13.233 12.100 1.159 283 2HG2 VAL 44 2HG2 VAL 44 12.049 13.113 2.021 284 3HG2 VAL 44 3HG2 VAL 44 12.755 11.688 2.823 285 H LEU 45 H LEU 45 7.726 10.972 2.559 286 HA LEU 45 HA LEU 45 7.099 8.268 2.371 287 1HB LEU 45 1HB LEU 45 5.780 10.722 2.699 288 2HB LEU 45 2HB LEU 45 5.015 9.938 1.307 289 HG LEU 45 HG LEU 45 3.882 9.481 3.455 290 1HD1 LEU 45 1HD1 LEU 45 3.598 7.099 3.143 291 2HD1 LEU 45 2HD1 LEU 45 3.745 7.900 1.560 292 3HD1 LEU 45 3HD1 LEU 45 5.127 7.002 2.235 293 1HD2 LEU 45 1HD2 LEU 45 5.175 9.235 5.257 294 2HD2 LEU 45 2HD2 LEU 45 5.407 7.555 4.714 295 3HD2 LEU 45 3HD2 LEU 45 6.603 8.803 4.286 296 H ALA 46 H ALA 46 7.833 6.998 0.733 297 HA ALA 46 HA ALA 46 7.429 8.043 -1.988 298 1HB ALA 46 1HB ALA 46 9.603 7.574 -2.300 299 2HB ALA 46 2HB ALA 46 9.731 6.909 -0.653 300 3HB ALA 46 3HB ALA 46 9.242 5.857 -2.004 301 H CYS 47 H CYS 47 6.179 6.847 -3.394 302 HA CYS 47 HA CYS 47 4.945 4.486 -2.208 303 1HB CYS 47 1HB CYS 47 4.045 6.067 -4.615 304 2HB CYS 47 2HB CYS 47 3.148 4.795 -3.779 305 H ASN 48 H ASN 48 4.632 2.568 -3.659 306 HA ASN 48 HA ASN 48 7.005 2.174 -5.197 307 1HB ASN 48 1HB ASN 48 4.653 0.264 -4.842 308 2HB ASN 48 2HB ASN 48 6.317 -0.169 -5.265 309 1HD2 ASN 48 1HD2 ASN 48 6.901 2.200 -3.259 310 2HD2 ASN 48 2HD2 ASN 48 6.935 1.415 -1.715 311 HA PRO 49 HA PRO 49 5.030 2.500 -9.102 312 1HB PRO 49 1HB PRO 49 6.155 0.517 -10.606 313 2HB PRO 49 2HB PRO 49 6.960 2.047 -10.270 314 1HG PRO 49 1HG PRO 49 7.398 -0.625 -9.100 315 2HG PRO 49 2HG PRO 49 8.511 0.790 -9.114 316 1HD PRO 49 1HD PRO 49 6.944 -0.217 -6.941 317 2HD PRO 49 2HD PRO 49 7.899 1.270 -6.952 318 H ALA 50 H ALA 50 4.478 -0.195 -7.223 319 HA ALA 50 HA ALA 50 2.376 -1.090 -9.065 320 1HB ALA 50 1HB ALA 50 3.438 -3.046 -8.595 321 2HB ALA 50 2HB ALA 50 4.186 -2.404 -7.113 322 3HB ALA 50 3HB ALA 50 2.501 -2.974 -7.083 323 H ASP 51 H ASP 51 2.606 1.289 -6.991 324 HA ASP 51 HA ASP 51 0.564 0.516 -5.142 325 1HB ASP 51 1HB ASP 51 1.898 2.007 -4.038 326 2HB ASP 51 2HB ASP 51 2.434 2.794 -5.529 327 HD2 ASP 51 HD2 ASP 51 -0.137 5.159 -5.331 328 H PHE 52 H PHE 52 0.475 1.097 -8.342 329 HA PHE 52 HA PHE 52 -1.782 2.962 -8.247 330 1HB PHE 52 1HB PHE 52 -0.376 1.867 -10.720 331 2HB PHE 52 2HB PHE 52 -1.169 3.436 -10.533 332 HD1 PHE 52 1HD PHE 52 0.073 4.591 -8.207 333 HD2 PHE 52 2HD PHE 52 1.828 2.214 -11.252 334 HE1 PHE 52 1HE PHE 52 2.302 5.641 -7.740 335 HE2 PHE 52 2HE PHE 52 4.058 3.266 -10.786 336 HZ PHE 52 HZ PHE 52 4.270 4.969 -9.036 337 H SER 53 H SER 53 -3.444 1.508 -7.595 338 HA SER 53 HA SER 53 -4.256 -0.225 -9.752 339 1HB SER 53 1HB SER 53 -3.057 -1.234 -7.380 340 2HB SER 53 2HB SER 53 -4.788 -1.593 -7.250 341 HG SER 53 HG SER 53 -2.871 -2.797 -8.793 342 H SER 54 H SER 54 -5.893 1.436 -10.063 343 HA SER 54 HA SER 54 -7.409 2.716 -8.386 344 1HB SER 54 1HB SER 54 -7.874 2.930 -10.697 345 2HB SER 54 2HB SER 54 -8.247 1.207 -10.881 346 HG SER 54 HG SER 54 -10.256 2.057 -10.782 347 H VAL 55 H VAL 55 -9.270 2.407 -7.037 348 HA VAL 55 HA VAL 55 -10.351 -0.255 -6.789 349 HB VAL 55 HB VAL 55 -8.186 0.025 -5.365 350 1HG1 VAL 55 1HG1 VAL 55 -8.765 0.855 -3.041 351 2HG1 VAL 55 2HG1 VAL 55 -8.603 2.111 -4.291 352 3HG1 VAL 55 3HG1 VAL 55 -10.220 1.591 -3.754 353 1HG2 VAL 55 1HG2 VAL 55 -9.303 -1.326 -3.502 354 2HG2 VAL 55 2HG2 VAL 55 -10.824 -1.096 -4.398 355 3HG2 VAL 55 3HG2 VAL 55 -9.463 -1.953 -5.161 356 H THR 56 H THR 56 -12.391 -0.260 -5.662 357 HA THR 56 HA THR 56 -13.374 2.382 -4.872 358 HB THR 56 HB THR 56 -14.280 0.652 -7.167 359 HG1 THR 56 1HG THR 56 -14.661 2.900 -7.887 360 1HG2 THR 56 1HG2 THR 56 -16.544 1.626 -7.077 361 2HG2 THR 56 2HG2 THR 56 -16.267 0.687 -5.590 362 3HG2 THR 56 3HG2 THR 56 -16.152 2.463 -5.554 363 H ALA 57 H ALA 57 -14.791 2.387 -3.168 364 HA ALA 57 HA ALA 57 -15.227 -0.257 -1.977 365 1HB ALA 57 1HB ALA 57 -15.590 2.290 -0.445 366 2HB ALA 57 2HB ALA 57 -14.938 0.722 0.086 367 3HB ALA 57 3HB ALA 57 -13.932 1.822 -0.887 368 H ASP 58 H ASP 58 -17.301 -0.965 -1.509 369 HA ASP 58 HA ASP 58 -19.360 0.064 -2.991 370 1HB ASP 58 1HB ASP 58 -19.844 -1.376 -0.374 371 2HB ASP 58 2HB ASP 58 -20.730 -1.542 -1.897 372 HD2 ASP 58 HD2 ASP 58 -17.444 -3.310 -2.724 373 H ALA 59 H ALA 59 -21.509 0.963 -2.042 374 HA ALA 59 HA ALA 59 -21.294 3.378 -0.957 375 1HB ALA 59 1HB ALA 59 -23.608 2.244 0.249 376 2HB ALA 59 2HB ALA 59 -23.508 3.165 -1.269 377 3HB ALA 59 3HB ALA 59 -23.361 1.390 -1.293 378 H ASN 60 H ASN 60 -21.179 0.265 0.821 379 HA ASN 60 HA ASN 60 -21.078 1.657 3.320 380 1HB ASN 60 1HB ASN 60 -22.187 -0.616 2.960 381 2HB ASN 60 2HB ASN 60 -20.569 -1.308 2.761 382 1HD2 ASN 60 1HD2 ASN 60 -20.439 -2.550 4.518 383 2HD2 ASN 60 2HD2 ASN 60 -20.507 -1.997 6.157 384 H GLY 61 H GLY 61 -18.976 2.382 1.470 385 1HA GLY 61 1HA GLY 61 -16.732 2.389 1.155 386 2HA GLY 61 2HA GLY 61 -16.710 2.420 2.907 387 H SER 62 H SER 62 -17.840 -0.286 0.802 388 HA SER 62 HA SER 62 -15.934 -1.965 2.173 389 1HB SER 62 1HB SER 62 -17.745 -3.181 0.169 390 2HB SER 62 2HB SER 62 -17.413 -3.679 1.836 391 HG SER 62 HG SER 62 -19.640 -2.695 1.108 392 H ALA 63 H ALA 63 -13.926 -1.551 1.164 393 HA ALA 63 HA ALA 63 -13.869 -1.918 -1.748 394 1HB ALA 63 1HB ALA 63 -11.386 -0.965 -0.957 395 2HB ALA 63 2HB ALA 63 -12.725 0.024 -1.591 396 3HB ALA 63 3HB ALA 63 -12.501 -0.152 0.166 397 H SER 64 H SER 64 -14.074 -4.275 -1.481 398 HA SER 64 HA SER 64 -11.860 -5.520 -0.125 399 1HB SER 64 1HB SER 64 -13.108 -7.649 -0.883 400 2HB SER 64 2HB SER 64 -13.918 -6.618 0.310 401 HG SER 64 HG SER 64 -15.134 -7.456 -1.711 402 H THR 65 H THR 65 -10.213 -4.662 -1.660 403 HA THR 65 HA THR 65 -10.292 -6.038 -4.264 404 HB THR 65 HB THR 65 -10.237 -3.411 -4.005 405 HG1 THR 65 1HG THR 65 -8.274 -5.064 -5.434 406 1HG2 THR 65 1HG2 THR 65 -7.344 -4.229 -3.415 407 2HG2 THR 65 2HG2 THR 65 -7.817 -2.616 -4.002 408 3HG2 THR 65 3HG2 THR 65 -8.378 -3.184 -2.411 409 H SER 66 H SER 66 -8.491 -7.187 -5.009 410 HA SER 66 HA SER 66 -6.722 -7.932 -2.823 411 1HB SER 66 1HB SER 66 -6.447 -10.051 -3.878 412 2HB SER 66 2HB SER 66 -8.181 -9.694 -3.969 413 HG SER 66 HG SER 66 -7.361 -8.687 -6.192 414 H LEU 67 H LEU 67 -4.405 -8.149 -3.253 415 HA LEU 67 HA LEU 67 -3.434 -7.237 -5.806 416 1HB LEU 67 1HB LEU 67 -3.890 -5.366 -3.774 417 2HB LEU 67 2HB LEU 67 -2.138 -5.642 -3.793 418 HG LEU 67 HG LEU 67 -2.728 -3.753 -5.188 419 1HD1 LEU 67 1HD1 LEU 67 -0.833 -5.166 -5.863 420 2HD1 LEU 67 2HD1 LEU 67 -1.920 -6.121 -6.899 421 3HD1 LEU 67 3HD1 LEU 67 -1.630 -4.400 -7.257 422 1HD2 LEU 67 1HD2 LEU 67 -4.349 -5.588 -6.957 423 2HD2 LEU 67 2HD2 LEU 67 -5.074 -4.598 -5.668 424 3HD2 LEU 67 3HD2 LEU 67 -4.218 -3.815 -7.020 425 H THR 68 H THR 68 -0.855 -7.110 -5.586 426 HA THR 68 HA THR 68 -0.120 -9.520 -4.066 427 HB THR 68 HB THR 68 1.039 -8.240 -6.599 428 HG1 THR 68 1HG THR 68 -0.898 -9.389 -7.024 429 1HG2 THR 68 1HG2 THR 68 2.549 -9.724 -4.911 430 2HG2 THR 68 2HG2 THR 68 1.645 -11.051 -5.680 431 3HG2 THR 68 3HG2 THR 68 2.633 -9.955 -6.675 432 H VAL 69 H VAL 69 1.482 -9.496 -2.563 433 HA VAL 69 HA VAL 69 2.413 -6.853 -1.817 434 HB VAL 69 HB VAL 69 2.412 -9.578 -0.536 435 1HG1 VAL 69 1HG1 VAL 69 3.772 -8.905 1.221 436 2HG1 VAL 69 2HG1 VAL 69 4.590 -8.177 -0.182 437 3HG1 VAL 69 3HG1 VAL 69 3.559 -7.173 0.866 438 1HG2 VAL 69 1HG2 VAL 69 1.367 -7.042 0.694 439 2HG2 VAL 69 2HG2 VAL 69 0.421 -7.857 -0.573 440 3HG2 VAL 69 3HG2 VAL 69 0.833 -8.726 0.926 441 H ARG 70 H ARG 70 3.934 -6.307 -3.425 442 HA ARG 70 HA ARG 70 6.112 -8.189 -3.728 443 1HB ARG 70 1HB ARG 70 5.541 -5.621 -5.276 444 2HB ARG 70 2HB ARG 70 6.739 -6.854 -5.712 445 1HG ARG 70 1HG ARG 70 5.115 -8.365 -6.418 446 2HG ARG 70 2HG ARG 70 3.859 -7.688 -5.364 447 1HD ARG 70 1HD ARG 70 3.125 -6.362 -7.040 448 2HD ARG 70 2HD ARG 70 4.737 -5.671 -7.269 449 HE ARG 70 HE ARG 70 4.720 -8.275 -8.420 450 1HH1 ARG 70 1HH1 ARG 70 3.239 -5.126 -8.951 451 2HH1 ARG 70 2HH1 ARG 70 3.063 -5.353 -10.659 452 1HH2 ARG 70 1HH2 ARG 70 4.488 -8.574 -10.675 453 2HH2 ARG 70 2HH2 ARG 70 3.779 -7.329 -11.647 454 H ARG 71 H ARG 71 6.726 -7.529 -1.396 455 HA ARG 71 HA ARG 71 7.340 -5.180 -0.454 456 1HB ARG 71 1HB ARG 71 8.030 -7.743 0.204 457 2HB ARG 71 2HB ARG 71 9.630 -7.095 -0.199 458 1HG ARG 71 1HG ARG 71 9.711 -5.970 1.750 459 2HG ARG 71 2HG ARG 71 8.164 -5.173 1.420 460 1HD ARG 71 1HD ARG 71 8.317 -6.641 3.539 461 2HD ARG 71 2HD ARG 71 6.928 -6.928 2.482 462 HE ARG 71 HE ARG 71 7.861 -9.014 1.850 463 1HH1 ARG 71 1HH1 ARG 71 10.110 -7.194 3.853 464 2HH1 ARG 71 2HH1 ARG 71 11.161 -8.545 4.122 465 1HH2 ARG 71 1HH2 ARG 71 9.247 -10.795 2.206 466 2HH2 ARG 71 2HH2 ARG 71 10.666 -10.608 3.180 467 H SER 72 H SER 72 9.203 -6.910 -2.994 468 HA SER 72 HA SER 72 11.268 -4.958 -3.000 469 1HB SER 72 1HB SER 72 11.891 -6.217 -5.176 470 2HB SER 72 2HB SER 72 11.978 -7.118 -3.650 471 HG SER 72 HG SER 72 10.749 -7.950 -5.754 472 H PHE 73 H PHE 73 10.900 -2.920 -3.797 473 HA PHE 73 HA PHE 73 9.802 -2.664 -6.433 474 1HB PHE 73 1HB PHE 73 8.047 -1.021 -5.559 475 2HB PHE 73 2HB PHE 73 7.739 -2.691 -5.066 476 HD1 PHE 73 1HD PHE 73 7.298 -3.111 -2.836 477 HD2 PHE 73 2HD PHE 73 9.436 0.409 -3.860 478 HE1 PHE 73 1HE PHE 73 7.232 -2.373 -0.438 479 HE2 PHE 73 2HE PHE 73 9.370 1.148 -1.462 480 HZ PHE 73 HZ PHE 73 8.268 -0.253 0.220 481 H GLU 74 H GLU 74 10.303 -0.617 -7.394 482 HA GLU 74 HA GLU 74 12.498 0.653 -6.097 483 1HB GLU 74 1HB GLU 74 12.521 0.187 -8.517 484 2HB GLU 74 2HB GLU 74 11.124 1.252 -8.754 485 1HG GLU 74 1HG GLU 74 12.544 3.113 -7.713 486 2HG GLU 74 2HG GLU 74 13.930 2.017 -7.839 487 HE2 GLU 74 HE2 GLU 74 13.635 4.045 -10.884 488 H GLY 75 H GLY 75 11.337 1.519 -4.202 489 1HA GLY 75 1HA GLY 75 9.160 3.049 -4.017 490 2HA GLY 75 2HA GLY 75 10.636 3.405 -3.141 491 H PHE 76 H PHE 76 8.584 5.285 -4.218 492 HA PHE 76 HA PHE 76 10.429 6.897 -5.810 493 1HB PHE 76 1HB PHE 76 8.972 6.304 -7.546 494 2HB PHE 76 2HB PHE 76 7.690 5.825 -6.428 495 HD1 PHE 76 1HD PHE 76 9.089 8.521 -8.431 496 HD2 PHE 76 2HD PHE 76 6.127 7.515 -5.564 497 HE1 PHE 76 1HE PHE 76 7.866 10.650 -8.946 498 HE2 PHE 76 2HE PHE 76 4.904 9.645 -6.079 499 HZ PHE 76 HZ PHE 76 5.790 11.189 -7.763 500 H LEU 77 H LEU 77 10.791 8.765 -4.721 501 HA LEU 77 HA LEU 77 9.339 9.525 -2.488 502 1HB LEU 77 1HB LEU 77 10.887 11.431 -4.207 503 2HB LEU 77 2HB LEU 77 10.684 11.434 -2.446 504 HG LEU 77 HG LEU 77 12.422 9.649 -4.152 505 1HD1 LEU 77 1HD1 LEU 77 14.094 10.950 -3.489 506 2HD1 LEU 77 2HD1 LEU 77 12.889 12.048 -2.772 507 3HD1 LEU 77 3HD1 LEU 77 13.634 10.769 -1.780 508 1HD2 LEU 77 1HD2 LEU 77 13.009 8.673 -1.772 509 2HD2 LEU 77 2HD2 LEU 77 11.330 9.146 -1.414 510 3HD2 LEU 77 3HD2 LEU 77 11.673 8.010 -2.743 511 H PHE 78 H PHE 78 7.393 10.483 -2.208 512 HA PHE 78 HA PHE 78 5.673 10.919 -4.312 513 1HB PHE 78 1HB PHE 78 4.737 10.694 -2.137 514 2HB PHE 78 2HB PHE 78 5.950 11.748 -1.403 515 HD1 PHE 78 1HD PHE 78 5.178 13.770 -0.633 516 HD2 PHE 78 2HD PHE 78 3.226 11.995 -3.956 517 HE1 PHE 78 1HE PHE 78 3.538 15.668 -0.682 518 HE2 PHE 78 2HE PHE 78 1.585 13.893 -4.006 519 HZ PHE 78 HZ PHE 78 1.760 15.707 -2.367 520 H ASP 79 H ASP 79 8.203 12.987 -2.978 521 HA ASP 79 HA ASP 79 7.275 15.455 -3.569 522 1HB ASP 79 1HB ASP 79 9.440 14.957 -2.472 523 2HB ASP 79 2HB ASP 79 10.096 14.360 -4.004 524 HD2 ASP 79 HD2 ASP 79 10.206 17.738 -5.212 525 H GLY 80 H GLY 80 9.041 13.095 -5.700 526 1HA GLY 80 1HA GLY 80 7.728 13.383 -8.017 527 2HA GLY 80 2HA GLY 80 8.753 14.804 -8.027 528 H THR 81 H THR 81 10.835 13.279 -6.319 529 HA THR 81 HA THR 81 12.148 12.042 -8.605 530 HB THR 81 HB THR 81 13.265 13.798 -7.161 531 HG1 THR 81 1HG THR 81 14.773 12.424 -8.093 532 1HG2 THR 81 1HG2 THR 81 14.241 12.757 -4.979 533 2HG2 THR 81 2HG2 THR 81 12.555 13.325 -4.908 534 3HG2 THR 81 3HG2 THR 81 12.904 11.589 -5.087 535 H ARG 82 H ARG 82 12.932 9.921 -8.671 536 HA ARG 82 HA ARG 82 11.400 8.188 -6.954 537 1HB ARG 82 1HB ARG 82 13.169 7.506 -9.350 538 2HB ARG 82 2HB ARG 82 12.022 6.408 -8.562 539 1HG ARG 82 1HG ARG 82 10.229 7.340 -9.618 540 2HG ARG 82 2HG ARG 82 10.849 8.992 -9.449 541 1HD ARG 82 1HD ARG 82 12.639 7.972 -11.247 542 2HD ARG 82 2HD ARG 82 11.205 7.024 -11.672 543 HE ARG 82 HE ARG 82 11.643 9.813 -12.236 544 1HH1 ARG 82 1HH1 ARG 82 9.105 7.579 -11.262 545 2HH1 ARG 82 2HH1 ARG 82 7.828 8.536 -11.935 546 1HH2 ARG 82 1HH2 ARG 82 9.959 11.076 -13.124 547 2HH2 ARG 82 2HH2 ARG 82 8.317 10.539 -13.002 548 H TRP 83 H TRP 83 12.377 6.568 -5.600 549 HA TRP 83 HA TRP 83 15.221 7.065 -5.079 550 1HB TRP 83 1HB TRP 83 13.798 7.533 -3.206 551 2HB TRP 83 2HB TRP 83 13.025 5.951 -3.327 552 HD1 TRP 83 HD TRP 83 14.008 4.231 -1.634 553 HE1 TRP 83 1HE TRP 83 16.240 3.826 -0.288 554 HE3 TRP 83 3HE TRP 83 16.546 8.156 -3.637 555 HZ2 TRP 83 2HZ TRP 83 18.761 5.164 -0.214 556 HZ3 TRP 83 3HZ TRP 83 18.888 8.537 -2.874 557 HH2 TRP 83 HH TRP 83 19.997 7.116 -1.223 558 H GLY 84 H GLY 84 13.261 4.210 -4.149 559 1HA GLY 84 1HA GLY 84 13.423 2.341 -5.925 560 2HA GLY 84 2HA GLY 84 15.145 2.523 -5.654 561 H THR 85 H THR 85 16.106 1.474 -3.933 562 HA THR 85 HA THR 85 16.297 0.426 -1.955 563 HB THR 85 HB THR 85 13.290 0.905 -1.612 564 HG1 THR 85 1HG THR 85 14.336 2.726 -0.298 565 1HG2 THR 85 1HG2 THR 85 15.583 0.291 0.319 566 2HG2 THR 85 2HG2 THR 85 14.008 0.935 0.845 567 3HG2 THR 85 3HG2 THR 85 14.102 -0.668 0.076 568 H VAL 86 H VAL 86 13.247 -0.434 -3.711 569 HA VAL 86 HA VAL 86 12.567 -2.369 -4.539 570 HB VAL 86 HB VAL 86 15.416 -3.245 -4.031 571 1HG1 VAL 86 1HG1 VAL 86 15.008 -5.255 -4.994 572 2HG1 VAL 86 2HG1 VAL 86 13.348 -4.955 -4.428 573 3HG1 VAL 86 3HG1 VAL 86 13.790 -4.595 -6.113 574 1HG2 VAL 86 1HG2 VAL 86 14.419 -2.739 -6.781 575 2HG2 VAL 86 2HG2 VAL 86 14.610 -1.307 -5.743 576 3HG2 VAL 86 3HG2 VAL 86 15.998 -2.380 -6.045 577 H ASP 87 H ASP 87 14.739 -4.386 -2.678 578 HA ASP 87 HA ASP 87 12.794 -5.770 -1.448 579 1HB ASP 87 1HB ASP 87 15.449 -5.983 -1.527 580 2HB ASP 87 2HB ASP 87 15.352 -5.224 0.068 581 HD2 ASP 87 HD2 ASP 87 15.275 -8.847 0.418 582 H CYS 88 H CYS 88 11.119 -4.559 -0.419 583 HA CYS 88 HA CYS 88 11.815 -2.439 1.379 584 1HB CYS 88 1HB CYS 88 9.868 -2.190 0.005 585 2HB CYS 88 2HB CYS 88 9.169 -3.690 0.620 586 H THR 89 H THR 89 13.184 -4.559 2.340 587 HA THR 89 HA THR 89 11.503 -5.930 4.299 588 HB THR 89 HB THR 89 13.193 -7.128 2.788 589 HG1 THR 89 1HG THR 89 13.456 -8.463 4.575 590 1HG2 THR 89 1HG2 THR 89 14.950 -5.106 3.564 591 2HG2 THR 89 2HG2 THR 89 15.374 -6.427 4.680 592 3HG2 THR 89 3HG2 THR 89 15.449 -6.690 2.920 593 H THR 90 H THR 90 13.697 -3.225 3.993 594 HA THR 90 HA THR 90 14.224 -3.197 6.856 595 HB THR 90 HB THR 90 15.115 -1.548 4.441 596 HG1 THR 90 1HG THR 90 17.119 -2.613 5.153 597 1HG2 THR 90 1HG2 THR 90 16.355 -0.116 5.829 598 2HG2 THR 90 2HG2 THR 90 14.896 -0.316 6.827 599 3HG2 THR 90 3HG2 THR 90 16.355 -1.271 7.184 600 H ALA 91 H ALA 91 12.567 -1.146 4.372 601 HA ALA 91 HA ALA 91 11.401 0.410 6.526 602 1HB ALA 91 1HB ALA 91 12.333 1.086 4.066 603 2HB ALA 91 2HB ALA 91 10.611 0.841 3.686 604 3HB ALA 91 3HB ALA 91 11.088 2.018 4.932 605 H ALA 92 H ALA 92 9.100 0.606 6.846 606 HA ALA 92 HA ALA 92 7.733 -1.876 6.231 607 1HB ALA 92 1HB ALA 92 6.904 0.513 7.928 608 2HB ALA 92 2HB ALA 92 6.112 -1.081 7.883 609 3HB ALA 92 3HB ALA 92 7.762 -0.925 8.532 610 H CYS 93 H CYS 93 6.490 -2.079 4.443 611 HA CYS 93 HA CYS 93 5.712 0.343 3.069 612 1HB CYS 93 1HB CYS 93 4.801 -2.120 1.857 613 2HB CYS 93 2HB CYS 93 5.842 -0.849 1.205 614 H GLN 94 H GLN 94 3.689 1.224 3.355 615 HA GLN 94 HA GLN 94 1.773 -0.390 4.798 616 1HB GLN 94 1HB GLN 94 1.934 2.574 4.154 617 2HB GLN 94 2HB GLN 94 0.529 1.845 4.953 618 1HG GLN 94 1HG GLN 94 1.669 1.501 6.922 619 2HG GLN 94 2HG GLN 94 3.217 1.204 6.115 620 1HE2 GLN 94 1HE2 GLN 94 3.397 2.675 8.248 621 2HE2 GLN 94 2HE2 GLN 94 3.601 4.362 7.921 622 H VAL 95 H VAL 95 0.339 -1.577 3.619 623 HA VAL 95 HA VAL 95 -0.216 -0.768 0.893 624 HB VAL 95 HB VAL 95 -1.138 -3.178 2.469 625 1HG1 VAL 95 1HG1 VAL 95 -0.884 -3.621 -0.358 626 2HG1 VAL 95 2HG1 VAL 95 -2.332 -3.734 0.669 627 3HG1 VAL 95 3HG1 VAL 95 -1.896 -2.183 -0.084 628 1HG2 VAL 95 1HG2 VAL 95 0.725 -4.377 1.735 629 2HG2 VAL 95 2HG2 VAL 95 1.110 -3.198 0.459 630 3HG2 VAL 95 3HG2 VAL 95 1.414 -2.795 2.165 631 H GLY 96 H GLY 96 -1.824 0.647 0.474 632 1HA GLY 96 1HA GLY 96 -4.427 0.261 1.618 633 2HA GLY 96 2HA GLY 96 -3.616 1.676 2.259 634 H LEU 97 H LEU 97 -5.857 2.281 0.932 635 HA LEU 97 HA LEU 97 -5.018 2.947 -1.798 636 1HB LEU 97 1HB LEU 97 -7.436 3.287 -2.195 637 2HB LEU 97 2HB LEU 97 -6.970 1.619 -1.821 638 HG LEU 97 HG LEU 97 -7.954 3.373 0.396 639 1HD1 LEU 97 1HD1 LEU 97 -9.905 3.817 -0.565 640 2HD1 LEU 97 2HD1 LEU 97 -9.482 2.850 -1.999 641 3HD1 LEU 97 3HD1 LEU 97 -10.235 2.067 -0.588 642 1HD2 LEU 97 1HD2 LEU 97 -9.124 0.944 0.700 643 2HD2 LEU 97 2HD2 LEU 97 -7.639 0.492 -0.172 644 3HD2 LEU 97 3HD2 LEU 97 -7.532 1.388 1.361 645 H SER 98 H SER 98 -4.492 5.017 -2.251 646 HA SER 98 HA SER 98 -5.060 6.949 -0.170 647 1HB SER 98 1HB SER 98 -3.398 8.363 -1.376 648 2HB SER 98 2HB SER 98 -2.728 6.795 -0.892 649 HG SER 98 HG SER 98 -3.401 7.785 -3.490 650 H ASP 99 H ASP 99 -5.556 9.286 -1.046 651 HA ASP 99 HA ASP 99 -7.894 9.041 -2.603 652 1HB ASP 99 1HB ASP 99 -6.649 11.725 -2.173 653 2HB ASP 99 2HB ASP 99 -8.327 11.220 -1.926 654 HD2 ASP 99 HD2 ASP 99 -6.738 11.873 1.288 655 H ALA 100 H ALA 100 -8.258 10.478 -4.615 656 HA ALA 100 HA ALA 100 -6.152 10.034 -6.472 657 1HB ALA 100 1HB ALA 100 -7.755 11.187 -8.029 658 2HB ALA 100 2HB ALA 100 -8.474 9.823 -7.141 659 3HB ALA 100 3HB ALA 100 -8.817 11.496 -6.637 660 H ALA 101 H ALA 101 -6.540 12.319 -4.042 661 HA ALA 101 HA ALA 101 -5.495 14.543 -5.589 662 1HB ALA 101 1HB ALA 101 -7.054 14.187 -3.204 663 2HB ALA 101 2HB ALA 101 -5.563 15.062 -2.777 664 3HB ALA 101 3HB ALA 101 -6.638 15.701 -4.043 665 H GLY 102 H GLY 102 -4.484 11.973 -3.360 666 1HA GLY 102 1HA GLY 102 -2.267 11.222 -3.305 667 2HA GLY 102 2HA GLY 102 -1.700 12.816 -3.764 668 H ASN 103 H ASN 103 -4.034 11.782 -1.180 669 HA ASN 103 HA ASN 103 -2.090 12.577 0.792 670 1HB ASN 103 1HB ASN 103 -4.845 13.848 0.469 671 2HB ASN 103 2HB ASN 103 -3.919 13.958 1.976 672 1HD2 ASN 103 1HD2 ASN 103 -4.508 15.243 -1.086 673 2HD2 ASN 103 2HD2 ASN 103 -3.211 16.388 -1.187 674 H GLY 104 H GLY 104 -2.931 11.929 3.064 675 1HA GLY 104 1HA GLY 104 -4.494 10.755 4.385 676 2HA GLY 104 2HA GLY 104 -5.090 9.930 2.958 677 HA PRO 105 HA PRO 105 -1.056 7.931 4.528 678 1HB PRO 105 1HB PRO 105 -0.731 7.997 7.241 679 2HB PRO 105 2HB PRO 105 0.098 9.100 6.145 680 1HG PRO 105 1HG PRO 105 -2.229 9.561 7.899 681 2HG PRO 105 2HG PRO 105 -1.113 10.772 7.172 682 1HD PRO 105 1HD PRO 105 -3.789 10.123 6.386 683 2HD PRO 105 2HD PRO 105 -2.675 11.206 5.542 684 H GLU 106 H GLU 106 -3.460 6.922 3.908 685 HA GLU 106 HA GLU 106 -4.083 5.098 6.051 686 1HB GLU 106 1HB GLU 106 -5.492 6.263 3.807 687 2HB GLU 106 2HB GLU 106 -5.646 4.499 3.747 688 1HG GLU 106 1HG GLU 106 -6.952 4.439 5.613 689 2HG GLU 106 2HG GLU 106 -5.985 5.657 6.458 690 HE2 GLU 106 HE2 GLU 106 -8.571 7.842 5.887 691 H GLY 107 H GLY 107 -3.154 3.104 6.190 692 1HA GLY 107 1HA GLY 107 -2.852 1.354 4.024 693 2HA GLY 107 2HA GLY 107 -1.319 2.161 4.281 694 H VAL 108 H VAL 108 -2.100 -0.708 4.725 695 HA VAL 108 HA VAL 108 -1.876 -0.891 7.633 696 HB VAL 108 HB VAL 108 -3.643 -2.147 6.475 697 1HG1 VAL 108 1HG1 VAL 108 -1.397 -2.962 4.773 698 2HG1 VAL 108 2HG1 VAL 108 -2.404 -4.326 5.314 699 3HG1 VAL 108 3HG1 VAL 108 -3.147 -2.961 4.444 700 1HG2 VAL 108 1HG2 VAL 108 -3.046 -3.107 8.524 701 2HG2 VAL 108 2HG2 VAL 108 -2.934 -4.468 7.383 702 3HG2 VAL 108 3HG2 VAL 108 -1.456 -3.637 7.924 703 H ALA 109 H ALA 109 -0.068 -1.739 8.658 704 HA ALA 109 HA ALA 109 2.360 -1.600 7.226 705 1HB ALA 109 1HB ALA 109 3.150 -1.423 9.324 706 2HB ALA 109 2HB ALA 109 1.480 -1.614 9.909 707 3HB ALA 109 3HB ALA 109 2.534 -3.039 9.745 708 H ILE 110 H ILE 110 2.433 -3.058 5.498 709 HA ILE 110 HA ILE 110 1.732 -5.804 5.937 710 HB ILE 110 HB ILE 110 2.088 -4.041 3.731 711 1HG1 ILE 110 1HG1 ILE 110 1.078 -6.149 2.570 712 2HG1 ILE 110 2HG1 ILE 110 0.921 -6.763 4.226 713 1HG2 ILE 110 1HG2 ILE 110 4.247 -4.777 3.248 714 2HG2 ILE 110 2HG2 ILE 110 3.891 -6.454 3.725 715 3HG2 ILE 110 3HG2 ILE 110 3.213 -5.795 2.218 716 1HD1 ILE 110 1HD1 ILE 110 -0.927 -5.156 2.955 717 2HD1 ILE 110 2HD1 ILE 110 -0.764 -5.299 4.722 718 3HD1 ILE 110 3HD1 ILE 110 0.025 -3.954 3.862 719 H SER 111 H SER 111 3.113 -7.568 6.177 720 HA SER 111 HA SER 111 5.583 -7.984 5.658 721 1HB SER 111 1HB SER 111 6.667 -6.097 6.428 722 2HB SER 111 2HB SER 111 5.551 -5.863 7.785 723 HG SER 111 HG SER 111 7.728 -6.573 8.411 724 H PHE 112 H PHE 112 4.776 -7.456 9.144 725 HA PHE 112 HA PHE 112 3.989 -10.251 9.356 726 1HB PHE 112 1HB PHE 112 5.716 -10.720 10.937 727 2HB PHE 112 2HB PHE 112 6.565 -9.703 9.769 728 HD1 PHE 112 1HD PHE 112 4.797 -9.624 13.032 729 HD2 PHE 112 2HD PHE 112 7.582 -7.712 10.467 730 HE1 PHE 112 1HE PHE 112 5.416 -8.046 14.883 731 HE2 PHE 112 2HE PHE 112 8.203 -6.134 12.317 732 HZ PHE 112 HZ PHE 112 7.112 -6.319 14.503 733 H ASN 113 H ASN 113 2.245 -10.470 10.692 734 HA ASN 113 HA ASN 113 0.844 -8.410 11.628 735 1HB ASN 113 1HB ASN 113 0.053 -10.764 11.590 736 2HB ASN 113 2HB ASN 113 1.114 -11.163 12.948 737 1HD2 ASN 113 1HD2 ASN 113 0.398 -10.914 14.942 738 2HD2 ASN 113 2HD2 ASN 113 -1.065 -10.122 15.423 739 6H NCZ 130 6H NCZ 130 1.870 13.881 0.374 740 6H1 NCZ 130 6H1 NCZ 130 -0.289 11.925 0.292 741 5H1 NCZ 130 5H1 NCZ 130 0.315 12.804 2.713 742 4H1 NCZ 130 4H1 NCZ 130 2.743 11.604 3.221 743 5H NCZ 130 5H NCZ 130 4.284 11.334 -0.060 744 3H1 NCZ 130 3H1 NCZ 130 3.039 10.007 1.401 745 2H1 NCZ 130 2H1 NCZ 130 1.839 11.494 -0.804 746 2H NCZ 130 2H NCZ 130 0.057 8.624 -3.872 747 8H NCZ 130 8H NCZ 130 -0.991 5.595 -3.662 748 7H NCZ 130 7H NCZ 130 -1.728 4.419 -1.615 749 3H NCZ 130 3H NCZ 130 -0.871 4.951 2.976 750 1H17 NCZ 130 1H17 NCZ 130 1.439 8.286 4.899 751 2H17 NCZ 130 2H17 NCZ 130 2.060 8.504 3.246 752 3H17 NCZ 130 3H17 NCZ 130 0.403 9.013 3.649 753 1H18 NCZ 130 1H18 NCZ 130 -1.783 3.349 -0.136 754 2H18 NCZ 130 2H18 NCZ 130 -1.644 3.199 1.633 755 3H18 NCZ 130 3H18 NCZ 130 -2.936 4.196 0.923 756 1H NCZ 130 1H NCZ 130 1.286 8.125 1.174 Start of MODEL 35 1 H ALA 1 H ALA 1 -11.376 -1.365 16.397 2 HA ALA 1 HA ALA 1 -12.659 -1.502 14.480 3 1HB ALA 1 1HB ALA 1 -13.071 1.034 16.051 4 2HB ALA 1 2HB ALA 1 -14.071 0.733 14.611 5 3HB ALA 1 3HB ALA 1 -14.088 -0.424 15.963 6 H ALA 2 H ALA 2 -13.529 -0.192 12.479 7 HA ALA 2 HA ALA 2 -12.972 0.537 10.457 8 1HB ALA 2 1HB ALA 2 -11.987 2.824 10.420 9 2HB ALA 2 2HB ALA 2 -13.291 2.666 11.622 10 3HB ALA 2 3HB ALA 2 -11.590 2.659 12.147 11 HA PRO 3 HA PRO 3 -8.834 -1.319 10.536 12 1HB PRO 3 1HB PRO 3 -9.413 -3.562 9.090 13 2HB PRO 3 2HB PRO 3 -9.405 -3.527 10.851 14 1HG PRO 3 1HG PRO 3 -11.673 -3.523 8.966 15 2HG PRO 3 2HG PRO 3 -11.664 -3.968 10.711 16 1HD PRO 3 1HD PRO 3 -12.650 -1.571 9.491 17 2HD PRO 3 2HD PRO 3 -12.517 -1.895 11.224 18 H THR 4 H THR 4 -11.081 -0.373 8.188 19 HA THR 4 HA THR 4 -10.864 0.333 6.089 20 HB THR 4 HB THR 4 -9.205 1.977 5.855 21 HG1 THR 4 1HG THR 4 -7.111 1.247 5.976 22 1HG2 THR 4 1HG2 THR 4 -8.358 1.443 8.691 23 2HG2 THR 4 2HG2 THR 4 -8.869 2.970 7.936 24 3HG2 THR 4 3HG2 THR 4 -10.088 1.771 8.426 25 H ALA 5 H ALA 5 -8.189 0.316 4.597 26 HA ALA 5 HA ALA 5 -8.611 -2.269 3.441 27 1HB ALA 5 1HB ALA 5 -8.014 -0.918 1.726 28 2HB ALA 5 2HB ALA 5 -7.232 0.260 2.808 29 3HB ALA 5 3HB ALA 5 -6.344 -1.188 2.277 30 H THR 6 H THR 6 -7.634 -4.134 4.039 31 HA THR 6 HA THR 6 -4.941 -4.000 5.141 32 HB THR 6 HB THR 6 -5.924 -5.680 6.964 33 HG1 THR 6 1HG THR 6 -8.190 -5.006 7.357 34 1HG2 THR 6 1HG2 THR 6 -5.552 -2.809 6.933 35 2HG2 THR 6 2HG2 THR 6 -7.045 -3.165 7.833 36 3HG2 THR 6 3HG2 THR 6 -5.506 -3.903 8.336 37 H VAL 7 H VAL 7 -3.708 -5.860 4.811 38 HA VAL 7 HA VAL 7 -4.661 -7.465 2.643 39 HB VAL 7 HB VAL 7 -2.137 -7.911 4.215 40 1HG1 VAL 7 1HG1 VAL 7 -3.239 -9.012 1.859 41 2HG1 VAL 7 2HG1 VAL 7 -1.897 -7.963 1.337 42 3HG1 VAL 7 3HG1 VAL 7 -1.606 -9.261 2.519 43 1HG2 VAL 7 1HG2 VAL 7 -2.922 -5.467 2.834 44 2HG2 VAL 7 2HG2 VAL 7 -1.508 -5.794 3.865 45 3HG2 VAL 7 3HG2 VAL 7 -1.455 -6.189 2.130 46 H THR 8 H THR 8 -5.436 -9.549 2.688 47 HA THR 8 HA THR 8 -6.703 -10.562 4.846 48 HB THR 8 HB THR 8 -5.662 -11.548 2.247 49 HG1 THR 8 1HG THR 8 -7.922 -12.444 2.465 50 1HG2 THR 8 1HG2 THR 8 -6.046 -13.913 2.704 51 2HG2 THR 8 2HG2 THR 8 -4.821 -13.352 3.867 52 3HG2 THR 8 3HG2 THR 8 -6.511 -13.563 4.386 53 HA PRO 9 HA PRO 9 -2.922 -12.942 6.268 54 1HB PRO 9 1HB PRO 9 -0.530 -12.697 4.972 55 2HB PRO 9 2HB PRO 9 -1.678 -13.994 4.642 56 1HG PRO 9 1HG PRO 9 -1.076 -11.554 3.097 57 2HG PRO 9 2HG PRO 9 -1.865 -13.072 2.536 58 1HD PRO 9 1HD PRO 9 -3.078 -10.542 3.114 59 2HD PRO 9 2HD PRO 9 -3.916 -12.049 2.719 60 H SER 10 H SER 10 -0.244 -12.342 6.827 61 HA SER 10 HA SER 10 -0.488 -9.573 7.670 62 1HB SER 10 1HB SER 10 0.879 -10.834 9.763 63 2HB SER 10 2HB SER 10 -0.790 -10.234 9.812 64 HG SER 10 HG SER 10 0.137 -12.901 9.184 65 H SER 11 H SER 11 1.572 -12.522 7.279 66 HA SER 11 HA SER 11 3.951 -10.958 7.343 67 1HB SER 11 1HB SER 11 3.441 -13.534 7.937 68 2HB SER 11 2HB SER 11 3.957 -13.757 6.257 69 HG SER 11 HG SER 11 5.926 -13.720 7.105 70 H GLY 12 H GLY 12 3.017 -9.499 5.529 71 1HA GLY 12 1HA GLY 12 2.659 -10.431 2.915 72 2HA GLY 12 2HA GLY 12 3.056 -8.793 3.395 73 H LEU 13 H LEU 13 5.505 -10.383 4.845 74 HA LEU 13 HA LEU 13 7.376 -9.658 2.859 75 1HB LEU 13 1HB LEU 13 9.005 -10.657 4.400 76 2HB LEU 13 2HB LEU 13 7.941 -9.458 5.159 77 HG LEU 13 HG LEU 13 6.582 -11.676 5.793 78 1HD1 LEU 13 1HD1 LEU 13 9.174 -12.650 4.863 79 2HD1 LEU 13 2HD1 LEU 13 8.802 -13.151 6.531 80 3HD1 LEU 13 3HD1 LEU 13 7.669 -13.534 5.212 81 1HD2 LEU 13 1HD2 LEU 13 8.903 -11.289 7.576 82 2HD2 LEU 13 2HD2 LEU 13 8.014 -9.806 7.148 83 3HD2 LEU 13 3HD2 LEU 13 7.158 -11.171 7.906 84 H SER 14 H SER 14 5.964 -11.039 1.222 85 HA SER 14 HA SER 14 7.419 -13.537 0.983 86 1HB SER 14 1HB SER 14 4.690 -13.381 1.648 87 2HB SER 14 2HB SER 14 4.706 -13.778 -0.079 88 HG SER 14 HG SER 14 6.266 -15.188 1.909 89 H ASP 15 H ASP 15 8.310 -13.764 -1.054 90 HA ASP 15 HA ASP 15 8.605 -11.893 -2.815 91 1HB ASP 15 1HB ASP 15 8.673 -13.678 -4.628 92 2HB ASP 15 2HB ASP 15 9.631 -14.040 -3.182 93 HD2 ASP 15 HD2 ASP 15 7.205 -16.726 -4.354 94 H GLY 16 H GLY 16 6.838 -10.447 -3.213 95 1HA GLY 16 1HA GLY 16 4.896 -9.695 -4.061 96 2HA GLY 16 2HA GLY 16 5.130 -10.897 -5.314 97 H THR 17 H THR 17 4.023 -10.648 -1.860 98 HA THR 17 HA THR 17 2.503 -13.043 -2.013 99 HB THR 17 HB THR 17 2.068 -10.803 -0.006 100 HG1 THR 17 1HG THR 17 4.116 -11.545 0.914 101 1HG2 THR 17 1HG2 THR 17 0.871 -12.940 0.390 102 2HG2 THR 17 2HG2 THR 17 2.388 -13.848 0.174 103 3HG2 THR 17 3HG2 THR 17 2.188 -12.768 1.576 104 H VAL 18 H VAL 18 0.804 -13.313 -3.321 105 HA VAL 18 HA VAL 18 -0.827 -11.000 -3.950 106 HB VAL 18 HB VAL 18 -1.182 -13.826 -4.930 107 1HG1 VAL 18 1HG1 VAL 18 -2.706 -11.603 -5.338 108 2HG1 VAL 18 2HG1 VAL 18 -1.585 -11.502 -6.716 109 3HG1 VAL 18 3HG1 VAL 18 -2.579 -12.960 -6.481 110 1HG2 VAL 18 1HG2 VAL 18 0.619 -11.759 -6.224 111 2HG2 VAL 18 2HG2 VAL 18 1.216 -13.071 -5.178 112 3HG2 VAL 18 3HG2 VAL 18 0.381 -13.456 -6.701 113 H VAL 19 H VAL 19 -2.563 -10.468 -2.737 114 HA VAL 19 HA VAL 19 -4.233 -12.594 -1.715 115 HB VAL 19 HB VAL 19 -4.179 -11.294 0.555 116 1HG1 VAL 19 1HG1 VAL 19 -2.986 -13.658 -0.429 117 2HG1 VAL 19 2HG1 VAL 19 -1.765 -12.873 0.600 118 3HG1 VAL 19 3HG1 VAL 19 -3.373 -13.249 1.260 119 1HG2 VAL 19 1HG2 VAL 19 -2.702 -9.503 0.012 120 2HG2 VAL 19 2HG2 VAL 19 -1.806 -10.595 1.096 121 3HG2 VAL 19 3HG2 VAL 19 -1.486 -10.619 -0.655 122 H LYS 20 H LYS 20 -5.960 -11.109 -0.148 123 HA LYS 20 HA LYS 20 -6.836 -9.051 -2.052 124 1HB LYS 20 1HB LYS 20 -8.408 -11.000 -0.364 125 2HB LYS 20 2HB LYS 20 -9.145 -9.596 -1.159 126 1HG LYS 20 1HG LYS 20 -9.355 -10.875 -3.002 127 2HG LYS 20 2HG LYS 20 -7.591 -10.830 -3.167 128 1HD LYS 20 1HD LYS 20 -7.671 -13.080 -2.935 129 2HD LYS 20 2HD LYS 20 -8.003 -12.791 -1.217 130 1HE LYS 20 1HE LYS 20 -10.505 -12.527 -2.124 131 2HE LYS 20 2HE LYS 20 -9.893 -13.527 -3.450 132 1HZ LYS 20 1HZ LYS 20 -9.084 -14.510 -0.935 133 2HZ LYS 20 2HZ LYS 20 -10.711 -14.384 -1.009 134 3HZ LYS 20 3HZ LYS 20 -9.910 -15.270 -2.124 135 H VAL 21 H VAL 21 -7.336 -7.011 -1.285 136 HA VAL 21 HA VAL 21 -6.799 -6.629 1.577 137 HB VAL 21 HB VAL 21 -6.405 -4.800 -0.798 138 1HG1 VAL 21 1HG1 VAL 21 -6.544 -3.064 0.595 139 2HG1 VAL 21 2HG1 VAL 21 -6.851 -4.149 1.971 140 3HG1 VAL 21 3HG1 VAL 21 -5.179 -3.730 1.524 141 1HG2 VAL 21 1HG2 VAL 21 -4.759 -6.807 0.179 142 2HG2 VAL 21 2HG2 VAL 21 -4.250 -5.421 -0.818 143 3HG2 VAL 21 3HG2 VAL 21 -4.120 -5.338 0.956 144 H ALA 22 H ALA 22 -8.734 -6.596 2.629 145 HA ALA 22 HA ALA 22 -11.025 -5.433 1.281 146 1HB ALA 22 1HB ALA 22 -11.103 -7.614 2.553 147 2HB ALA 22 2HB ALA 22 -10.811 -6.687 4.046 148 3HB ALA 22 3HB ALA 22 -12.290 -6.403 3.096 149 H GLY 23 H GLY 23 -11.815 -3.407 1.670 150 1HA GLY 23 1HA GLY 23 -10.410 -1.825 3.724 151 2HA GLY 23 2HA GLY 23 -11.181 -1.200 2.282 152 H ALA 24 H ALA 24 -11.544 -1.814 5.633 153 HA ALA 24 HA ALA 24 -14.451 -1.875 5.499 154 1HB ALA 24 1HB ALA 24 -12.354 -2.308 7.633 155 2HB ALA 24 2HB ALA 24 -14.047 -1.984 8.083 156 3HB ALA 24 3HB ALA 24 -13.647 -3.403 7.087 157 H GLY 25 H GLY 25 -15.455 0.055 5.224 158 1HA GLY 25 1HA GLY 25 -16.030 2.203 5.550 159 2HA GLY 25 2HA GLY 25 -15.157 2.154 7.069 160 H LEU 26 H LEU 26 -13.862 1.609 3.734 161 HA LEU 26 HA LEU 26 -11.830 3.595 4.281 162 1HB LEU 26 1HB LEU 26 -11.523 1.261 3.259 163 2HB LEU 26 2HB LEU 26 -12.119 1.991 1.758 164 HG LEU 26 HG LEU 26 -9.873 2.214 1.451 165 1HD1 LEU 26 1HD1 LEU 26 -10.756 4.677 2.945 166 2HD1 LEU 26 2HD1 LEU 26 -9.133 4.545 2.226 167 3HD1 LEU 26 3HD1 LEU 26 -10.578 4.427 1.193 168 1HD2 LEU 26 1HD2 LEU 26 -9.023 3.058 4.153 169 2HD2 LEU 26 2HD2 LEU 26 -9.629 1.388 4.018 170 3HD2 LEU 26 3HD2 LEU 26 -8.269 1.925 3.004 171 H GLN 27 H GLN 27 -12.268 3.536 0.969 172 HA GLN 27 HA GLN 27 -12.751 6.127 0.655 173 1HB GLN 27 1HB GLN 27 -13.310 3.707 -1.000 174 2HB GLN 27 2HB GLN 27 -14.045 5.223 -1.549 175 1HG GLN 27 1HG GLN 27 -11.096 4.932 -0.855 176 2HG GLN 27 2HG GLN 27 -11.724 4.710 -2.495 177 1HE2 GLN 27 1HE2 GLN 27 -11.223 6.935 0.161 178 2HE2 GLN 27 2HE2 GLN 27 -11.384 8.415 -0.725 179 H ALA 28 H ALA 28 -15.055 3.705 1.726 180 HA ALA 28 HA ALA 28 -17.192 3.791 2.297 181 1HB ALA 28 1HB ALA 28 -17.339 5.384 3.874 182 2HB ALA 28 2HB ALA 28 -15.978 6.257 3.129 183 3HB ALA 28 3HB ALA 28 -17.647 6.602 2.614 184 H GLY 29 H GLY 29 -17.048 3.349 -0.302 185 1HA GLY 29 1HA GLY 29 -18.680 3.378 -1.952 186 2HA GLY 29 2HA GLY 29 -19.263 4.929 -1.380 187 H THR 30 H THR 30 -16.419 6.018 -1.177 188 HA THR 30 HA THR 30 -16.313 7.135 -3.772 189 HB THR 30 HB THR 30 -14.040 7.150 -1.750 190 HG1 THR 30 1HG THR 30 -15.536 8.931 -0.826 191 1HG2 THR 30 1HG2 THR 30 -13.464 9.068 -2.853 192 2HG2 THR 30 2HG2 THR 30 -14.721 8.692 -4.055 193 3HG2 THR 30 3HG2 THR 30 -15.112 9.713 -2.651 194 H ALA 31 H ALA 31 -13.451 7.147 -4.212 195 HA ALA 31 HA ALA 31 -12.741 4.389 -4.663 196 1HB ALA 31 1HB ALA 31 -12.731 6.062 -7.138 197 2HB ALA 31 2HB ALA 31 -12.987 4.311 -6.942 198 3HB ALA 31 3HB ALA 31 -14.308 5.450 -6.585 199 H TYR 32 H TYR 32 -10.554 4.188 -4.446 200 HA TYR 32 HA TYR 32 -8.951 6.605 -4.906 201 1HB TYR 32 1HB TYR 32 -9.373 4.805 -2.517 202 2HB TYR 32 2HB TYR 32 -7.698 5.269 -2.822 203 HD1 TYR 32 1HD TYR 32 -9.749 7.867 -3.997 204 HD2 TYR 32 2HD TYR 32 -8.267 6.166 -0.362 205 HE1 TYR 32 1HE TYR 32 -10.159 10.067 -2.793 206 HE2 TYR 32 2HE TYR 32 -8.681 8.372 0.829 207 HH TYR 32 HH TYR 32 -9.160 11.215 -0.757 208 H ASP 33 H ASP 33 -6.448 5.534 -4.260 209 HA ASP 33 HA ASP 33 -6.283 3.380 -6.219 210 1HB ASP 33 1HB ASP 33 -5.126 5.896 -6.322 211 2HB ASP 33 2HB ASP 33 -3.814 4.922 -5.640 212 HD2 ASP 33 HD2 ASP 33 -4.489 4.763 -9.460 213 H VAL 34 H VAL 34 -5.645 1.448 -5.255 214 HA VAL 34 HA VAL 34 -4.626 1.476 -2.581 215 HB VAL 34 HB VAL 34 -5.588 -0.506 -4.567 216 1HG1 VAL 34 1HG1 VAL 34 -3.854 -1.372 -2.230 217 2HG1 VAL 34 2HG1 VAL 34 -4.667 -2.419 -3.420 218 3HG1 VAL 34 3HG1 VAL 34 -3.328 -1.363 -3.933 219 1HG2 VAL 34 1HG2 VAL 34 -7.255 0.002 -3.074 220 2HG2 VAL 34 2HG2 VAL 34 -6.512 -1.379 -2.234 221 3HG2 VAL 34 3HG2 VAL 34 -6.122 0.284 -1.730 222 H GLY 35 H GLY 35 -2.561 0.628 -1.892 223 1HA GLY 35 1HA GLY 35 -0.530 -0.291 -3.507 224 2HA GLY 35 2HA GLY 35 -0.410 1.457 -3.571 225 H GLN 36 H GLN 36 1.417 -0.579 -2.314 226 HA GLN 36 HA GLN 36 1.067 -0.004 0.491 227 1HB GLN 36 1HB GLN 36 2.837 -1.630 0.857 228 2HB GLN 36 2HB GLN 36 1.657 -2.314 -0.276 229 1HG GLN 36 1HG GLN 36 3.591 -0.895 -1.826 230 2HG GLN 36 2HG GLN 36 4.497 -1.853 -0.646 231 1HE2 GLN 36 1HE2 GLN 36 4.381 -2.179 -3.493 232 2HE2 GLN 36 2HE2 GLN 36 3.742 -3.751 -3.836 233 H CYS 37 H CYS 37 1.486 2.308 0.417 234 HA CYS 37 HA CYS 37 4.130 3.077 -0.486 235 1HB CYS 37 1HB CYS 37 2.039 4.371 -1.037 236 2HB CYS 37 2HB CYS 37 1.976 4.854 0.661 237 H ALA 38 H ALA 38 5.626 4.201 0.991 238 HA ALA 38 HA ALA 38 5.075 4.467 3.734 239 1HB ALA 38 1HB ALA 38 7.123 2.353 3.509 240 2HB ALA 38 2HB ALA 38 5.771 2.519 4.655 241 3HB ALA 38 3HB ALA 38 5.488 1.824 3.041 242 H TRP 39 H TRP 39 7.295 4.854 4.944 243 HA TRP 39 HA TRP 39 8.717 6.725 3.312 244 1HB TRP 39 1HB TRP 39 9.572 5.917 6.058 245 2HB TRP 39 2HB TRP 39 9.659 7.494 5.268 246 HD1 TRP 39 HD TRP 39 7.542 9.099 5.586 247 HE1 TRP 39 1HE TRP 39 5.312 9.057 6.995 248 HE3 TRP 39 3HE TRP 39 7.840 4.193 6.888 249 HZ2 TRP 39 2HZ TRP 39 3.952 7.021 8.462 250 HZ3 TRP 39 3HZ TRP 39 6.017 3.256 8.311 251 HH2 TRP 39 HH TRP 39 4.122 4.587 9.094 252 H VAL 40 H VAL 40 10.480 6.250 2.069 253 HA VAL 40 HA VAL 40 11.770 3.668 2.550 254 HB VAL 40 HB VAL 40 10.701 4.259 0.333 255 1HG1 VAL 40 1HG1 VAL 40 11.992 5.677 -1.204 256 2HG1 VAL 40 2HG1 VAL 40 11.429 6.601 0.209 257 3HG1 VAL 40 3HG1 VAL 40 13.125 6.076 0.108 258 1HG2 VAL 40 1HG2 VAL 40 13.666 3.636 0.186 259 2HG2 VAL 40 2HG2 VAL 40 12.429 2.466 0.705 260 3HG2 VAL 40 3HG2 VAL 40 12.388 3.131 -0.944 261 H ASP 41 H ASP 41 12.454 7.165 1.893 262 HA ASP 41 HA ASP 41 15.196 6.718 2.610 263 1HB ASP 41 1HB ASP 41 13.848 8.516 0.954 264 2HB ASP 41 2HB ASP 41 14.283 9.520 2.347 265 HD2 ASP 41 HD2 ASP 41 17.646 8.061 1.103 266 H THR 42 H THR 42 15.602 9.381 3.834 267 HA THR 42 HA THR 42 14.718 8.747 6.510 268 HB THR 42 HB THR 42 16.623 10.710 5.181 269 HG1 THR 42 1HG THR 42 17.055 8.388 5.856 270 1HG2 THR 42 1HG2 THR 42 16.157 12.189 6.900 271 2HG2 THR 42 2HG2 THR 42 15.294 10.958 7.848 272 3HG2 THR 42 3HG2 THR 42 17.072 11.021 7.880 273 H GLY 43 H GLY 43 12.487 9.007 6.584 274 1HA GLY 43 1HA GLY 43 10.653 10.228 7.087 275 2HA GLY 43 2HA GLY 43 11.614 11.692 7.004 276 H VAL 44 H VAL 44 12.076 9.816 4.170 277 HA VAL 44 HA VAL 44 10.313 11.629 2.715 278 HB VAL 44 HB VAL 44 12.398 9.752 1.607 279 1HG1 VAL 44 1HG1 VAL 44 10.778 12.042 0.556 280 2HG1 VAL 44 2HG1 VAL 44 12.423 11.800 -0.078 281 3HG1 VAL 44 3HG1 VAL 44 11.217 10.501 -0.216 282 1HG2 VAL 44 1HG2 VAL 44 12.810 12.628 2.494 283 2HG2 VAL 44 2HG2 VAL 44 13.445 11.187 3.324 284 3HG2 VAL 44 3HG2 VAL 44 14.005 11.588 1.684 285 H LEU 45 H LEU 45 8.287 10.907 2.330 286 HA LEU 45 HA LEU 45 7.707 8.116 2.464 287 1HB LEU 45 1HB LEU 45 6.268 10.030 3.242 288 2HB LEU 45 2HB LEU 45 5.896 10.339 1.537 289 HG LEU 45 HG LEU 45 5.391 7.607 1.920 290 1HD1 LEU 45 1HD1 LEU 45 3.915 9.030 4.114 291 2HD1 LEU 45 2HD1 LEU 45 4.192 7.289 3.868 292 3HD1 LEU 45 3HD1 LEU 45 5.523 8.333 4.424 293 1HD2 LEU 45 1HD2 LEU 45 3.736 8.332 0.631 294 2HD2 LEU 45 2HD2 LEU 45 2.931 8.953 2.091 295 3HD2 LEU 45 3HD2 LEU 45 3.999 10.016 1.145 296 H ALA 46 H ALA 46 7.916 6.659 0.858 297 HA ALA 46 HA ALA 46 7.686 7.671 -1.887 298 1HB ALA 46 1HB ALA 46 10.086 7.339 -1.182 299 2HB ALA 46 2HB ALA 46 9.713 5.616 -0.928 300 3HB ALA 46 3HB ALA 46 9.581 6.327 -2.555 301 H CYS 47 H CYS 47 6.629 6.269 -3.341 302 HA CYS 47 HA CYS 47 5.373 3.981 -2.011 303 1HB CYS 47 1HB CYS 47 4.319 5.306 -4.490 304 2HB CYS 47 2HB CYS 47 3.470 4.266 -3.342 305 H ASN 48 H ASN 48 5.221 1.979 -3.264 306 HA ASN 48 HA ASN 48 7.487 1.660 -4.955 307 1HB ASN 48 1HB ASN 48 5.377 -0.475 -4.621 308 2HB ASN 48 2HB ASN 48 7.137 -0.656 -4.666 309 1HD2 ASN 48 1HD2 ASN 48 7.538 1.598 -2.830 310 2HD2 ASN 48 2HD2 ASN 48 7.150 1.035 -1.238 311 HA PRO 49 HA PRO 49 5.284 1.566 -8.753 312 1HB PRO 49 1HB PRO 49 6.238 -0.599 -10.118 313 2HB PRO 49 2HB PRO 49 7.116 0.923 -9.989 314 1HG PRO 49 1HG PRO 49 7.546 -1.633 -8.586 315 2HG PRO 49 2HG PRO 49 8.700 -0.273 -8.817 316 1HD PRO 49 1HD PRO 49 7.249 -0.997 -6.455 317 2HD PRO 49 2HD PRO 49 8.251 0.443 -6.678 318 H ALA 50 H ALA 50 4.777 -0.909 -6.581 319 HA ALA 50 HA ALA 50 2.539 -1.918 -8.188 320 1HB ALA 50 1HB ALA 50 3.736 -3.789 -7.542 321 2HB ALA 50 2HB ALA 50 4.309 -3.035 -6.035 322 3HB ALA 50 3HB ALA 50 2.638 -3.637 -6.150 323 H ASP 51 H ASP 51 2.963 0.675 -6.416 324 HA ASP 51 HA ASP 51 0.970 0.196 -4.411 325 1HB ASP 51 1HB ASP 51 2.642 1.649 -3.647 326 2HB ASP 51 2HB ASP 51 2.772 2.494 -5.200 327 HD2 ASP 51 HD2 ASP 51 0.323 4.771 -4.322 328 H PHE 52 H PHE 52 0.741 0.410 -7.628 329 HA PHE 52 HA PHE 52 -1.381 2.428 -7.662 330 1HB PHE 52 1HB PHE 52 -0.044 0.946 -9.984 331 2HB PHE 52 2HB PHE 52 -0.920 2.480 -10.071 332 HD1 PHE 52 1HD PHE 52 2.154 1.272 -10.541 333 HD2 PHE 52 2HD PHE 52 0.246 4.138 -8.062 334 HE1 PHE 52 1HE PHE 52 4.325 2.509 -10.300 335 HE2 PHE 52 2HE PHE 52 2.416 5.374 -7.822 336 HZ PHE 52 HZ PHE 52 4.430 4.546 -8.942 337 H SER 53 H SER 53 -3.233 1.357 -6.976 338 HA SER 53 HA SER 53 -4.103 -0.734 -8.763 339 1HB SER 53 1HB SER 53 -3.110 -1.977 -6.915 340 2HB SER 53 2HB SER 53 -4.030 -1.034 -5.730 341 HG SER 53 HG SER 53 -5.961 -1.993 -6.484 342 H SER 54 H SER 54 -5.451 1.103 -9.510 343 HA SER 54 HA SER 54 -7.064 2.569 -7.858 344 1HB SER 54 1HB SER 54 -8.443 2.964 -9.910 345 2HB SER 54 2HB SER 54 -6.707 3.178 -10.188 346 HG SER 54 HG SER 54 -7.711 0.578 -10.643 347 H VAL 55 H VAL 55 -8.928 2.126 -6.709 348 HA VAL 55 HA VAL 55 -10.684 0.028 -7.595 349 HB VAL 55 HB VAL 55 -8.903 -1.162 -6.341 350 1HG1 VAL 55 1HG1 VAL 55 -8.879 -0.904 -3.847 351 2HG1 VAL 55 2HG1 VAL 55 -8.239 0.501 -4.732 352 3HG1 VAL 55 3HG1 VAL 55 -9.877 0.558 -4.038 353 1HG2 VAL 55 1HG2 VAL 55 -10.403 -2.664 -5.560 354 2HG2 VAL 55 2HG2 VAL 55 -11.247 -1.460 -4.556 355 3HG2 VAL 55 3HG2 VAL 55 -11.592 -1.566 -6.299 356 H THR 56 H THR 56 -12.701 -0.008 -6.221 357 HA THR 56 HA THR 56 -13.057 2.568 -4.840 358 HB THR 56 HB THR 56 -14.096 1.906 -7.342 359 HG1 THR 56 1HG THR 56 -15.466 3.764 -6.732 360 1HG2 THR 56 1HG2 THR 56 -15.657 0.227 -6.268 361 2HG2 THR 56 2HG2 THR 56 -16.272 1.525 -5.218 362 3HG2 THR 56 3HG2 THR 56 -16.522 1.611 -6.978 363 H ALA 57 H ALA 57 -14.518 2.602 -3.080 364 HA ALA 57 HA ALA 57 -14.759 -0.025 -1.855 365 1HB ALA 57 1HB ALA 57 -15.194 1.278 0.194 366 2HB ALA 57 2HB ALA 57 -13.697 1.820 -0.601 367 3HB ALA 57 3HB ALA 57 -15.186 2.783 -0.757 368 H ASP 58 H ASP 58 -16.718 -1.012 -1.377 369 HA ASP 58 HA ASP 58 -18.879 -0.297 -2.950 370 1HB ASP 58 1HB ASP 58 -19.110 -1.911 -0.394 371 2HB ASP 58 2HB ASP 58 -20.017 -2.122 -1.900 372 HD2 ASP 58 HD2 ASP 58 -17.544 -4.740 -1.718 373 H ALA 59 H ALA 59 -21.147 0.246 -2.048 374 HA ALA 59 HA ALA 59 -21.320 2.610 -0.846 375 1HB ALA 59 1HB ALA 59 -23.096 0.768 -1.714 376 2HB ALA 59 2HB ALA 59 -23.354 0.608 0.040 377 3HB ALA 59 3HB ALA 59 -23.572 2.187 -0.752 378 H ASN 60 H ASN 60 -20.842 -0.548 0.790 379 HA ASN 60 HA ASN 60 -21.015 0.721 3.352 380 1HB ASN 60 1HB ASN 60 -21.534 -1.826 2.482 381 2HB ASN 60 2HB ASN 60 -19.895 -2.052 3.110 382 1HD2 ASN 60 1HD2 ASN 60 -21.431 -3.491 4.447 383 2HD2 ASN 60 2HD2 ASN 60 -21.981 -2.833 5.953 384 H GLY 61 H GLY 61 -18.961 1.792 1.614 385 1HA GLY 61 1HA GLY 61 -16.728 2.107 1.396 386 2HA GLY 61 2HA GLY 61 -16.771 2.055 3.146 387 H SER 62 H SER 62 -17.494 -0.686 0.920 388 HA SER 62 HA SER 62 -15.367 -2.130 2.247 389 1HB SER 62 1HB SER 62 -17.619 -3.067 0.427 390 2HB SER 62 2HB SER 62 -16.437 -4.143 1.192 391 HG SER 62 HG SER 62 -17.574 -2.485 3.066 392 H ALA 63 H ALA 63 -13.414 -1.661 1.230 393 HA ALA 63 HA ALA 63 -13.403 -1.728 -1.699 394 1HB ALA 63 1HB ALA 63 -11.482 -0.359 -1.593 395 2HB ALA 63 2HB ALA 63 -12.521 0.264 -0.290 396 3HB ALA 63 3HB ALA 63 -11.149 -0.801 0.100 397 H SER 64 H SER 64 -13.492 -4.028 -1.940 398 HA SER 64 HA SER 64 -11.334 -5.479 -0.675 399 1HB SER 64 1HB SER 64 -12.501 -7.493 -1.508 400 2HB SER 64 2HB SER 64 -13.591 -6.461 -0.565 401 HG SER 64 HG SER 64 -13.582 -5.844 -3.286 402 H THR 65 H THR 65 -9.602 -4.491 -1.972 403 HA THR 65 HA THR 65 -9.643 -5.334 -4.792 404 HB THR 65 HB THR 65 -9.381 -2.812 -3.857 405 HG1 THR 65 1HG THR 65 -7.802 -2.721 -5.836 406 1HG2 THR 65 1HG2 THR 65 -6.898 -2.269 -3.976 407 2HG2 THR 65 2HG2 THR 65 -7.353 -3.161 -2.506 408 3HG2 THR 65 3HG2 THR 65 -6.561 -4.011 -3.853 409 H SER 66 H SER 66 -8.167 -6.746 -5.575 410 HA SER 66 HA SER 66 -6.468 -7.931 -3.571 411 1HB SER 66 1HB SER 66 -6.276 -9.797 -5.049 412 2HB SER 66 2HB SER 66 -7.972 -9.289 -5.125 413 HG SER 66 HG SER 66 -7.712 -9.022 -7.225 414 H LEU 67 H LEU 67 -4.184 -7.945 -3.680 415 HA LEU 67 HA LEU 67 -2.887 -6.912 -6.031 416 1HB LEU 67 1HB LEU 67 -3.700 -5.060 -4.212 417 2HB LEU 67 2HB LEU 67 -2.058 -5.414 -3.647 418 HG LEU 67 HG LEU 67 -2.366 -3.464 -5.254 419 1HD1 LEU 67 1HD1 LEU 67 -0.412 -5.228 -6.581 420 2HD1 LEU 67 2HD1 LEU 67 -0.194 -3.648 -5.790 421 3HD1 LEU 67 3HD1 LEU 67 -0.257 -5.134 -4.812 422 1HD2 LEU 67 1HD2 LEU 67 -3.939 -4.846 -6.744 423 2HD2 LEU 67 2HD2 LEU 67 -2.729 -3.808 -7.538 424 3HD2 LEU 67 3HD2 LEU 67 -2.456 -5.561 -7.418 425 H THR 68 H THR 68 -0.410 -6.936 -5.648 426 HA THR 68 HA THR 68 0.164 -9.278 -3.963 427 HB THR 68 HB THR 68 1.648 -8.184 -6.409 428 HG1 THR 68 1HG THR 68 -0.489 -8.980 -6.932 429 1HG2 THR 68 1HG2 THR 68 2.341 -10.704 -6.440 430 2HG2 THR 68 2HG2 THR 68 3.146 -9.660 -5.245 431 3HG2 THR 68 3HG2 THR 68 1.818 -10.733 -4.739 432 H VAL 69 H VAL 69 1.857 -9.283 -2.503 433 HA VAL 69 HA VAL 69 2.686 -6.623 -1.703 434 HB VAL 69 HB VAL 69 3.220 -9.305 -0.416 435 1HG1 VAL 69 1HG1 VAL 69 4.706 -7.719 0.505 436 2HG1 VAL 69 2HG1 VAL 69 3.469 -6.440 0.521 437 3HG1 VAL 69 3HG1 VAL 69 3.351 -7.805 1.656 438 1HG2 VAL 69 1HG2 VAL 69 0.738 -8.563 -0.831 439 2HG2 VAL 69 2HG2 VAL 69 1.230 -9.184 0.763 440 3HG2 VAL 69 3HG2 VAL 69 1.056 -7.433 0.508 441 H ARG 70 H ARG 70 4.127 -6.043 -3.409 442 HA ARG 70 HA ARG 70 6.317 -7.815 -3.901 443 1HB ARG 70 1HB ARG 70 5.748 -5.005 -4.954 444 2HB ARG 70 2HB ARG 70 6.997 -6.093 -5.582 445 1HG ARG 70 1HG ARG 70 4.309 -7.312 -5.456 446 2HG ARG 70 2HG ARG 70 4.386 -5.901 -6.526 447 1HD ARG 70 1HD ARG 70 5.817 -6.942 -8.009 448 2HD ARG 70 2HD ARG 70 6.614 -7.901 -6.752 449 HE ARG 70 HE ARG 70 3.805 -8.615 -7.270 450 1HH1 ARG 70 1HH1 ARG 70 7.171 -9.238 -8.080 451 2HH1 ARG 70 2HH1 ARG 70 6.862 -10.825 -8.702 452 1HH2 ARG 70 1HH2 ARG 70 3.396 -10.710 -8.091 453 2HH2 ARG 70 2HH2 ARG 70 4.700 -11.668 -8.707 454 H ARG 71 H ARG 71 7.058 -7.661 -1.555 455 HA ARG 71 HA ARG 71 7.765 -5.441 -0.263 456 1HB ARG 71 1HB ARG 71 7.977 -7.729 0.650 457 2HB ARG 71 2HB ARG 71 9.367 -8.044 -0.403 458 1HG ARG 71 1HG ARG 71 10.105 -5.703 0.876 459 2HG ARG 71 2HG ARG 71 9.206 -6.546 2.152 460 1HD ARG 71 1HD ARG 71 11.685 -7.440 0.647 461 2HD ARG 71 2HD ARG 71 11.457 -7.306 2.398 462 HE ARG 71 HE ARG 71 9.606 -9.211 1.252 463 1HH1 ARG 71 1HH1 ARG 71 12.974 -8.827 2.196 464 2HH1 ARG 71 2HH1 ARG 71 13.224 -10.521 2.469 465 1HH2 ARG 71 1HH2 ARG 71 9.935 -11.443 1.611 466 2HH2 ARG 71 2HH2 ARG 71 11.483 -12.019 2.134 467 H SER 72 H SER 72 9.484 -7.037 -2.970 468 HA SER 72 HA SER 72 11.563 -5.013 -2.763 469 1HB SER 72 1HB SER 72 12.711 -6.509 -4.503 470 2HB SER 72 2HB SER 72 12.538 -7.183 -2.873 471 HG SER 72 HG SER 72 11.890 -8.466 -4.968 472 H PHE 73 H PHE 73 11.673 -3.368 -4.275 473 HA PHE 73 HA PHE 73 11.218 -3.419 -6.895 474 1HB PHE 73 1HB PHE 73 8.728 -3.704 -5.326 475 2HB PHE 73 2HB PHE 73 8.656 -2.275 -6.361 476 HD1 PHE 73 1HD PHE 73 10.602 -5.194 -7.383 477 HD2 PHE 73 2HD PHE 73 6.842 -3.245 -7.666 478 HE1 PHE 73 1HE PHE 73 9.989 -6.656 -9.328 479 HE2 PHE 73 2HE PHE 73 6.231 -4.706 -9.613 480 HZ PHE 73 HZ PHE 73 7.813 -6.394 -10.423 481 H GLU 74 H GLU 74 12.007 -1.483 -7.591 482 HA GLU 74 HA GLU 74 12.200 0.612 -5.674 483 1HB GLU 74 1HB GLU 74 14.101 0.154 -7.096 484 2HB GLU 74 2HB GLU 74 13.132 0.362 -8.565 485 1HG GLU 74 1HG GLU 74 12.669 2.762 -7.594 486 2HG GLU 74 2HG GLU 74 14.094 2.455 -6.590 487 HE2 GLU 74 HE2 GLU 74 14.546 3.017 -10.501 488 H GLY 75 H GLY 75 10.782 2.288 -5.421 489 1HA GLY 75 1HA GLY 75 8.825 2.730 -7.591 490 2HA GLY 75 2HA GLY 75 8.528 2.985 -5.881 491 H PHE 76 H PHE 76 8.082 5.188 -5.834 492 HA PHE 76 HA PHE 76 10.315 6.901 -6.647 493 1HB PHE 76 1HB PHE 76 8.603 8.502 -7.469 494 2HB PHE 76 2HB PHE 76 8.358 6.946 -8.269 495 HD1 PHE 76 1HD PHE 76 6.496 5.469 -7.490 496 HD2 PHE 76 2HD PHE 76 6.932 9.454 -6.103 497 HE1 PHE 76 1HE PHE 76 4.110 5.458 -6.709 498 HE2 PHE 76 2HE PHE 76 4.548 9.444 -5.324 499 HZ PHE 76 HZ PHE 76 3.165 7.447 -5.634 500 H LEU 77 H LEU 77 10.570 8.858 -5.390 501 HA LEU 77 HA LEU 77 9.543 8.518 -2.703 502 1HB LEU 77 1HB LEU 77 11.660 10.251 -3.947 503 2HB LEU 77 2HB LEU 77 11.143 10.437 -2.263 504 HG LEU 77 HG LEU 77 11.841 7.680 -2.925 505 1HD1 LEU 77 1HD1 LEU 77 13.917 9.837 -3.369 506 2HD1 LEU 77 2HD1 LEU 77 14.316 8.137 -3.021 507 3HD1 LEU 77 3HD1 LEU 77 13.400 8.555 -4.490 508 1HD2 LEU 77 1HD2 LEU 77 11.519 8.597 -0.646 509 2HD2 LEU 77 2HD2 LEU 77 13.107 7.822 -0.874 510 3HD2 LEU 77 3HD2 LEU 77 12.973 9.598 -0.869 511 H PHE 78 H PHE 78 9.078 10.819 -1.577 512 HA PHE 78 HA PHE 78 6.657 11.668 -2.640 513 1HB PHE 78 1HB PHE 78 7.438 11.835 -0.258 514 2HB PHE 78 2HB PHE 78 8.680 12.996 -0.737 515 HD1 PHE 78 1HD PHE 78 7.845 15.204 -1.778 516 HD2 PHE 78 2HD PHE 78 5.351 12.573 0.425 517 HE1 PHE 78 1HE PHE 78 6.229 17.080 -1.368 518 HE2 PHE 78 2HE PHE 78 3.733 14.448 0.834 519 HZ PHE 78 HZ PHE 78 4.194 16.680 -0.067 520 H ASP 79 H ASP 79 9.988 12.730 -3.230 521 HA ASP 79 HA ASP 79 9.218 15.237 -4.284 522 1HB ASP 79 1HB ASP 79 11.535 14.319 -3.343 523 2HB ASP 79 2HB ASP 79 11.798 13.849 -5.029 524 HD2 ASP 79 HD2 ASP 79 12.933 16.993 -5.677 525 H GLY 80 H GLY 80 10.661 12.194 -5.706 526 1HA GLY 80 1HA GLY 80 8.932 11.772 -7.767 527 2HA GLY 80 2HA GLY 80 10.030 12.984 -8.396 528 H THR 81 H THR 81 12.297 11.977 -6.616 529 HA THR 81 HA THR 81 13.694 10.481 -8.363 530 HB THR 81 HB THR 81 13.665 10.391 -5.301 531 HG1 THR 81 1HG THR 81 15.335 11.718 -7.313 532 1HG2 THR 81 1HG2 THR 81 15.028 8.548 -6.709 533 2HG2 THR 81 2HG2 THR 81 16.119 9.923 -7.005 534 3HG2 THR 81 3HG2 THR 81 15.790 9.390 -5.340 535 H ARG 82 H ARG 82 13.749 8.471 -9.194 536 HA ARG 82 HA ARG 82 11.567 6.797 -8.575 537 1HB ARG 82 1HB ARG 82 12.627 5.264 -10.258 538 2HB ARG 82 2HB ARG 82 12.444 6.916 -10.868 539 1HG ARG 82 1HG ARG 82 14.949 6.940 -9.633 540 2HG ARG 82 2HG ARG 82 14.888 5.338 -10.388 541 1HD ARG 82 1HD ARG 82 13.823 7.244 -12.258 542 2HD ARG 82 2HD ARG 82 15.341 7.904 -11.632 543 HE ARG 82 HE ARG 82 15.705 5.131 -12.266 544 1HH1 ARG 82 1HH1 ARG 82 15.227 8.233 -13.857 545 2HH1 ARG 82 2HH1 ARG 82 16.059 7.764 -15.303 546 1HH2 ARG 82 1HH2 ARG 82 16.802 4.510 -14.173 547 2HH2 ARG 82 2HH2 ARG 82 16.960 5.632 -15.484 548 H TRP 83 H TRP 83 12.123 6.537 -6.200 549 HA TRP 83 HA TRP 83 14.254 4.544 -5.826 550 1HB TRP 83 1HB TRP 83 14.645 6.665 -4.678 551 2HB TRP 83 2HB TRP 83 13.104 6.509 -3.836 552 HD1 TRP 83 HD TRP 83 13.222 3.580 -2.736 553 HE1 TRP 83 1HE TRP 83 14.966 2.748 -0.939 554 HE3 TRP 83 3HE TRP 83 16.656 7.225 -3.616 555 HZ2 TRP 83 2HZ TRP 83 17.530 3.687 -0.104 556 HZ3 TRP 83 3HZ TRP 83 18.753 7.194 -2.267 557 HH2 TRP 83 HH TRP 83 19.215 5.506 -0.561 558 H GLY 84 H GLY 84 11.408 5.557 -3.830 559 1HA GLY 84 1HA GLY 84 9.709 4.374 -2.958 560 2HA GLY 84 2HA GLY 84 9.664 3.506 -4.481 561 H THR 85 H THR 85 9.591 2.849 -1.352 562 HA THR 85 HA THR 85 10.950 1.457 0.011 563 HB THR 85 HB THR 85 9.116 -0.018 -1.939 564 HG1 THR 85 1HG THR 85 8.972 0.730 0.890 565 1HG2 THR 85 1HG2 THR 85 9.949 -1.021 0.812 566 2HG2 THR 85 2HG2 THR 85 9.118 -1.913 -0.486 567 3HG2 THR 85 3HG2 THR 85 10.847 -1.521 -0.642 568 H VAL 86 H VAL 86 10.876 -0.509 -3.004 569 HA VAL 86 HA VAL 86 12.579 -1.193 -4.298 570 HB VAL 86 HB VAL 86 13.741 0.989 -3.093 571 1HG1 VAL 86 1HG1 VAL 86 15.625 -1.353 -2.668 572 2HG1 VAL 86 2HG1 VAL 86 15.937 0.364 -2.318 573 3HG1 VAL 86 3HG1 VAL 86 14.727 -0.532 -1.367 574 1HG2 VAL 86 1HG2 VAL 86 14.378 0.999 -5.238 575 2HG2 VAL 86 2HG2 VAL 86 15.736 -0.040 -4.745 576 3HG2 VAL 86 3HG2 VAL 86 14.237 -0.772 -5.368 577 H ASP 87 H ASP 87 12.986 -1.352 -0.720 578 HA ASP 87 HA ASP 87 13.100 -4.204 -0.972 579 1HB ASP 87 1HB ASP 87 15.503 -3.077 -1.011 580 2HB ASP 87 2HB ASP 87 15.240 -2.909 0.731 581 HD2 ASP 87 HD2 ASP 87 15.035 -6.616 0.671 582 H CYS 88 H CYS 88 11.112 -4.184 0.255 583 HA CYS 88 HA CYS 88 10.973 -2.662 2.672 584 1HB CYS 88 1HB CYS 88 9.148 -3.903 0.893 585 2HB CYS 88 2HB CYS 88 8.886 -4.611 2.490 586 H THR 89 H THR 89 13.215 -4.113 3.013 587 HA THR 89 HA THR 89 12.514 -6.634 4.307 588 HB THR 89 HB THR 89 14.435 -6.411 2.647 589 HG1 THR 89 1HG THR 89 15.027 -6.926 5.477 590 1HG2 THR 89 1HG2 THR 89 16.576 -5.498 3.764 591 2HG2 THR 89 2HG2 THR 89 15.428 -4.264 3.192 592 3HG2 THR 89 3HG2 THR 89 15.506 -4.672 4.924 593 H THR 90 H THR 90 12.593 -3.374 5.119 594 HA THR 90 HA THR 90 12.776 -4.092 7.933 595 HB THR 90 HB THR 90 14.604 -2.139 6.463 596 HG1 THR 90 1HG THR 90 15.781 -3.967 6.908 597 1HG2 THR 90 1HG2 THR 90 13.706 -0.949 8.474 598 2HG2 THR 90 2HG2 THR 90 14.088 -2.371 9.475 599 3HG2 THR 90 3HG2 THR 90 15.401 -1.434 8.725 600 H ALA 91 H ALA 91 12.176 -1.548 5.445 601 HA ALA 91 HA ALA 91 10.550 -0.032 7.228 602 1HB ALA 91 1HB ALA 91 11.838 0.339 4.759 603 2HB ALA 91 2HB ALA 91 10.101 0.437 4.382 604 3HB ALA 91 3HB ALA 91 10.805 1.514 5.610 605 H ALA 92 H ALA 92 8.343 -0.091 7.540 606 HA ALA 92 HA ALA 92 7.003 -2.437 6.555 607 1HB ALA 92 1HB ALA 92 6.248 -0.156 8.416 608 2HB ALA 92 2HB ALA 92 5.132 -1.474 7.989 609 3HB ALA 92 3HB ALA 92 6.646 -1.836 8.849 610 H CYS 93 H CYS 93 5.702 -2.553 4.786 611 HA CYS 93 HA CYS 93 5.273 -0.088 3.335 612 1HB CYS 93 1HB CYS 93 4.165 -2.504 2.152 613 2HB CYS 93 2HB CYS 93 5.299 -1.325 1.486 614 H GLN 94 H GLN 94 3.335 1.005 3.449 615 HA GLN 94 HA GLN 94 1.194 -0.326 4.859 616 1HB GLN 94 1HB GLN 94 1.738 2.563 4.115 617 2HB GLN 94 2HB GLN 94 0.189 2.050 4.803 618 1HG GLN 94 1HG GLN 94 1.146 1.504 6.868 619 2HG GLN 94 2HG GLN 94 2.760 1.258 6.183 620 1HE2 GLN 94 1HE2 GLN 94 4.105 2.980 5.834 621 2HE2 GLN 94 2HE2 GLN 94 3.823 4.572 6.457 622 H VAL 95 H VAL 95 -0.051 -1.586 3.516 623 HA VAL 95 HA VAL 95 -0.547 -0.672 0.814 624 HB VAL 95 HB VAL 95 -1.735 -3.128 2.048 625 1HG1 VAL 95 1HG1 VAL 95 -0.601 -2.497 -0.698 626 2HG1 VAL 95 2HG1 VAL 95 -1.330 -4.044 -0.207 627 3HG1 VAL 95 3HG1 VAL 95 -2.323 -2.569 -0.256 628 1HG2 VAL 95 1HG2 VAL 95 0.302 -3.773 2.766 629 2HG2 VAL 95 2HG2 VAL 95 0.636 -4.062 1.041 630 3HG2 VAL 95 3HG2 VAL 95 1.145 -2.535 1.804 631 H GLY 96 H GLY 96 -2.170 0.727 0.403 632 1HA GLY 96 1HA GLY 96 -4.800 0.238 1.442 633 2HA GLY 96 2HA GLY 96 -4.039 1.638 2.175 634 H LEU 97 H LEU 97 -6.299 2.132 0.732 635 HA LEU 97 HA LEU 97 -5.406 2.932 -1.931 636 1HB LEU 97 1HB LEU 97 -7.910 3.455 -2.136 637 2HB LEU 97 2HB LEU 97 -7.362 1.771 -2.174 638 HG LEU 97 HG LEU 97 -8.334 3.046 0.377 639 1HD1 LEU 97 1HD1 LEU 97 -10.398 1.472 -0.849 640 2HD1 LEU 97 2HD1 LEU 97 -10.444 3.159 -0.289 641 3HD1 LEU 97 3HD1 LEU 97 -9.913 2.785 -1.946 642 1HD2 LEU 97 1HD2 LEU 97 -8.258 0.985 1.255 643 2HD2 LEU 97 2HD2 LEU 97 -8.899 0.217 -0.217 644 3HD2 LEU 97 3HD2 LEU 97 -7.168 0.625 -0.106 645 H SER 98 H SER 98 -4.744 4.978 -2.284 646 HA SER 98 HA SER 98 -5.507 6.925 -0.258 647 1HB SER 98 1HB SER 98 -3.097 6.567 -2.019 648 2HB SER 98 2HB SER 98 -3.523 8.209 -1.505 649 HG SER 98 HG SER 98 -3.627 7.104 0.745 650 H ASP 99 H ASP 99 -5.546 9.305 -1.264 651 HA ASP 99 HA ASP 99 -7.700 9.479 -2.879 652 1HB ASP 99 1HB ASP 99 -5.447 11.505 -3.010 653 2HB ASP 99 2HB ASP 99 -7.189 11.812 -3.088 654 HD2 ASP 99 HD2 ASP 99 -6.659 10.805 0.585 655 H ALA 100 H ALA 100 -7.734 10.516 -5.198 656 HA ALA 100 HA ALA 100 -6.525 8.831 -7.008 657 1HB ALA 100 1HB ALA 100 -8.069 9.906 -8.235 658 2HB ALA 100 2HB ALA 100 -8.214 11.177 -6.999 659 3HB ALA 100 3HB ALA 100 -6.995 11.324 -8.288 660 H ALA 101 H ALA 101 -5.324 11.776 -5.425 661 HA ALA 101 HA ALA 101 -3.071 11.944 -7.232 662 1HB ALA 101 1HB ALA 101 -3.682 14.080 -6.633 663 2HB ALA 101 2HB ALA 101 -4.276 13.577 -5.033 664 3HB ALA 101 3HB ALA 101 -2.529 13.753 -5.317 665 H GLY 102 H GLY 102 -3.825 9.674 -5.110 666 1HA GLY 102 1HA GLY 102 -2.614 8.188 -3.935 667 2HA GLY 102 2HA GLY 102 -1.158 8.927 -4.567 668 H ASN 103 H ASN 103 -3.670 10.705 -2.722 669 HA ASN 103 HA ASN 103 -1.625 11.202 -0.724 670 1HB ASN 103 1HB ASN 103 -4.130 12.649 -1.629 671 2HB ASN 103 2HB ASN 103 -3.469 12.990 -0.022 672 1HD2 ASN 103 1HD2 ASN 103 -3.685 14.407 -2.745 673 2HD2 ASN 103 2HD2 ASN 103 -2.111 15.076 -3.016 674 H GLY 104 H GLY 104 -2.372 11.217 1.620 675 1HA GLY 104 1HA GLY 104 -3.978 10.680 3.258 676 2HA GLY 104 2HA GLY 104 -4.817 9.654 2.111 677 HA PRO 105 HA PRO 105 -1.210 7.423 4.258 678 1HB PRO 105 1HB PRO 105 -1.459 7.603 6.972 679 2HB PRO 105 2HB PRO 105 -0.327 8.582 6.042 680 1HG PRO 105 1HG PRO 105 -2.922 9.308 7.241 681 2HG PRO 105 2HG PRO 105 -1.581 10.393 6.728 682 1HD PRO 105 1HD PRO 105 -4.077 9.907 5.413 683 2HD PRO 105 2HD PRO 105 -2.723 10.859 4.788 684 H GLU 106 H GLU 106 -3.516 6.575 3.173 685 HA GLU 106 HA GLU 106 -4.717 4.906 5.196 686 1HB GLU 106 1HB GLU 106 -5.561 6.105 2.720 687 2HB GLU 106 2HB GLU 106 -5.799 4.355 2.602 688 1HG GLU 106 1HG GLU 106 -7.777 4.887 3.641 689 2HG GLU 106 2HG GLU 106 -6.782 4.755 5.098 690 HE2 GLU 106 HE2 GLU 106 -6.919 8.173 5.670 691 H GLY 107 H GLY 107 -4.060 2.831 5.559 692 1HA GLY 107 1HA GLY 107 -3.681 0.789 3.925 693 2HA GLY 107 2HA GLY 107 -2.166 1.638 3.685 694 H VAL 108 H VAL 108 -2.519 -1.018 4.883 695 HA VAL 108 HA VAL 108 -1.782 -0.455 7.667 696 HB VAL 108 HB VAL 108 -3.743 -1.989 6.990 697 1HG1 VAL 108 1HG1 VAL 108 -2.642 -3.275 5.253 698 2HG1 VAL 108 2HG1 VAL 108 -1.394 -3.822 6.400 699 3HG1 VAL 108 3HG1 VAL 108 -3.080 -4.357 6.599 700 1HG2 VAL 108 1HG2 VAL 108 -2.104 -3.637 8.763 701 2HG2 VAL 108 2HG2 VAL 108 -2.035 -1.908 9.182 702 3HG2 VAL 108 3HG2 VAL 108 -3.605 -2.742 9.096 703 H ALA 109 H ALA 109 0.211 -1.125 8.480 704 HA ALA 109 HA ALA 109 2.248 -1.490 6.518 705 1HB ALA 109 1HB ALA 109 3.216 -0.361 8.221 706 2HB ALA 109 2HB ALA 109 2.000 -0.910 9.396 707 3HB ALA 109 3HB ALA 109 3.389 -1.950 9.000 708 H ILE 110 H ILE 110 1.818 -3.458 5.425 709 HA ILE 110 HA ILE 110 1.629 -5.852 7.055 710 HB ILE 110 HB ILE 110 0.322 -5.135 4.843 711 1HG1 ILE 110 1HG1 ILE 110 -0.166 -7.548 4.506 712 2HG1 ILE 110 2HG1 ILE 110 1.138 -7.944 5.640 713 1HG2 ILE 110 1HG2 ILE 110 2.712 -6.695 3.824 714 2HG2 ILE 110 2HG2 ILE 110 1.220 -6.384 2.906 715 3HG2 ILE 110 3HG2 ILE 110 2.260 -5.026 3.400 716 1HD1 ILE 110 1HD1 ILE 110 -1.521 -7.470 6.311 717 2HD1 ILE 110 2HD1 ILE 110 -0.148 -7.414 7.443 718 3HD1 ILE 110 3HD1 ILE 110 -0.736 -5.915 6.683 719 H SER 111 H SER 111 3.093 -7.678 6.750 720 HA SER 111 HA SER 111 5.223 -7.879 5.223 721 1HB SER 111 1HB SER 111 5.703 -5.764 7.266 722 2HB SER 111 2HB SER 111 7.020 -6.929 7.038 723 HG SER 111 HG SER 111 5.852 -5.098 5.150 724 H PHE 112 H PHE 112 4.688 -7.615 8.815 725 HA PHE 112 HA PHE 112 4.956 -10.495 8.994 726 1HB PHE 112 1HB PHE 112 7.104 -10.288 9.804 727 2HB PHE 112 2HB PHE 112 7.010 -8.528 9.674 728 HD1 PHE 112 1HD PHE 112 5.912 -11.320 11.895 729 HD2 PHE 112 2HD PHE 112 7.163 -7.275 11.611 730 HE1 PHE 112 1HE PHE 112 5.931 -11.149 14.399 731 HE2 PHE 112 2HE PHE 112 7.184 -7.104 14.114 732 HZ PHE 112 HZ PHE 112 6.567 -9.043 15.479 733 H ASN 113 H ASN 113 3.232 -11.175 10.167 734 HA ASN 113 HA ASN 113 1.447 -9.596 11.366 735 1HB ASN 113 1HB ASN 113 1.510 -12.197 10.982 736 2HB ASN 113 2HB ASN 113 2.167 -12.275 12.623 737 1HD2 ASN 113 1HD2 ASN 113 0.933 -10.975 14.268 738 2HD2 ASN 113 2HD2 ASN 113 -0.797 -11.055 14.228 739 6H NCZ 130 6H NCZ 130 1.640 13.574 -0.249 740 6H1 NCZ 130 6H1 NCZ 130 0.329 11.097 -1.049 741 5H1 NCZ 130 5H1 NCZ 130 -1.070 12.598 0.619 742 4H1 NCZ 130 4H1 NCZ 130 0.279 12.298 3.003 743 5H NCZ 130 5H NCZ 130 3.737 11.817 1.993 744 3H1 NCZ 130 3H1 NCZ 130 1.891 10.516 2.584 745 2H1 NCZ 130 2H1 NCZ 130 2.537 11.123 -0.212 746 2H NCZ 130 2H NCZ 130 0.842 8.635 -3.642 747 8H NCZ 130 8H NCZ 130 -0.380 5.667 -3.777 748 7H NCZ 130 7H NCZ 130 -1.334 4.370 -1.901 749 3H NCZ 130 3H NCZ 130 -0.803 4.459 2.771 750 1H17 NCZ 130 1H17 NCZ 130 1.530 7.474 5.140 751 2H17 NCZ 130 2H17 NCZ 130 2.286 7.796 3.560 752 3H17 NCZ 130 3H17 NCZ 130 0.633 8.366 3.888 753 1H18 NCZ 130 1H18 NCZ 130 -1.561 3.184 -0.529 754 2H18 NCZ 130 2H18 NCZ 130 -1.566 2.880 1.224 755 3H18 NCZ 130 3H18 NCZ 130 -2.743 4.009 0.515 756 1H NCZ 130 1H NCZ 130 1.653 7.639 1.412 Start of MODEL 36 1 H ALA 1 H ALA 1 -12.240 -6.979 13.795 2 HA ALA 1 HA ALA 1 -9.921 -5.837 13.614 3 1HB ALA 1 1HB ALA 1 -9.570 -8.673 12.661 4 2HB ALA 1 2HB ALA 1 -8.654 -7.370 11.864 5 3HB ALA 1 3HB ALA 1 -8.469 -7.650 13.613 6 H ALA 2 H ALA 2 -10.562 -4.232 12.274 7 HA ALA 2 HA ALA 2 -11.374 -4.906 9.596 8 1HB ALA 2 1HB ALA 2 -13.268 -3.374 11.418 9 2HB ALA 2 2HB ALA 2 -13.535 -3.806 9.713 10 3HB ALA 2 3HB ALA 2 -13.481 -5.078 10.954 11 HA PRO 3 HA PRO 3 -9.142 -0.960 10.444 12 1HB PRO 3 1HB PRO 3 -6.604 -1.662 9.721 13 2HB PRO 3 2HB PRO 3 -7.154 -1.629 11.396 14 1HG PRO 3 1HG PRO 3 -6.717 -3.920 9.589 15 2HG PRO 3 2HG PRO 3 -6.803 -3.908 11.387 16 1HD PRO 3 1HD PRO 3 -8.778 -4.795 9.514 17 2HD PRO 3 2HD PRO 3 -8.974 -4.655 11.267 18 H THR 4 H THR 4 -10.699 -0.555 8.689 19 HA THR 4 HA THR 4 -11.181 -0.217 6.513 20 HB THR 4 HB THR 4 -9.797 1.579 5.647 21 HG1 THR 4 1HG THR 4 -7.559 1.654 6.363 22 1HG2 THR 4 1HG2 THR 4 -9.252 2.954 7.622 23 2HG2 THR 4 2HG2 THR 4 -10.796 2.118 7.913 24 3HG2 THR 4 3HG2 THR 4 -9.301 1.516 8.669 25 H ALA 5 H ALA 5 -8.292 0.074 4.900 26 HA ALA 5 HA ALA 5 -8.739 -2.474 3.612 27 1HB ALA 5 1HB ALA 5 -6.612 -1.297 2.337 28 2HB ALA 5 2HB ALA 5 -8.320 -1.007 1.930 29 3HB ALA 5 3HB ALA 5 -7.456 0.123 2.998 30 H THR 6 H THR 6 -7.550 -4.298 3.951 31 HA THR 6 HA THR 6 -4.850 -4.059 4.976 32 HB THR 6 HB THR 6 -5.697 -5.855 6.795 33 HG1 THR 6 1HG THR 6 -7.913 -5.153 7.381 34 1HG2 THR 6 1HG2 THR 6 -6.697 -3.326 7.803 35 2HG2 THR 6 2HG2 THR 6 -5.181 -4.154 8.228 36 3HG2 THR 6 3HG2 THR 6 -5.221 -3.017 6.859 37 H VAL 7 H VAL 7 -3.547 -5.818 4.482 38 HA VAL 7 HA VAL 7 -4.549 -7.427 2.354 39 HB VAL 7 HB VAL 7 -1.939 -7.888 3.751 40 1HG1 VAL 7 1HG1 VAL 7 -3.107 -8.846 1.411 41 2HG1 VAL 7 2HG1 VAL 7 -1.952 -7.615 0.843 42 3HG1 VAL 7 3HG1 VAL 7 -1.389 -8.960 1.864 43 1HG2 VAL 7 1HG2 VAL 7 -2.815 -5.372 2.419 44 2HG2 VAL 7 2HG2 VAL 7 -1.603 -5.636 3.695 45 3HG2 VAL 7 3HG2 VAL 7 -1.199 -5.985 1.998 46 H THR 8 H THR 8 -5.336 -9.490 2.410 47 HA THR 8 HA THR 8 -6.440 -10.628 4.557 48 HB THR 8 HB THR 8 -5.432 -11.505 1.918 49 HG1 THR 8 1HG THR 8 -7.667 -11.053 2.491 50 1HG2 THR 8 1HG2 THR 8 -4.350 -13.270 3.399 51 2HG2 THR 8 2HG2 THR 8 -5.957 -13.605 4.084 52 3HG2 THR 8 3HG2 THR 8 -5.644 -13.915 2.360 53 HA PRO 9 HA PRO 9 -2.476 -12.775 5.872 54 1HB PRO 9 1HB PRO 9 -0.111 -12.236 4.614 55 2HB PRO 9 2HB PRO 9 -1.130 -13.615 4.203 56 1HG PRO 9 1HG PRO 9 -0.758 -11.046 2.799 57 2HG PRO 9 2HG PRO 9 -1.395 -12.600 2.148 58 1HD PRO 9 1HD PRO 9 -2.846 -10.232 2.852 59 2HD PRO 9 2HD PRO 9 -3.536 -11.788 2.366 60 H SER 10 H SER 10 0.122 -11.968 6.503 61 HA SER 10 HA SER 10 -0.355 -9.269 7.453 62 1HB SER 10 1HB SER 10 0.110 -11.731 9.101 63 2HB SER 10 2HB SER 10 0.872 -10.225 9.645 64 HG SER 10 HG SER 10 -1.642 -9.580 9.021 65 H SER 11 H SER 11 1.981 -12.052 7.330 66 HA SER 11 HA SER 11 4.196 -10.285 7.385 67 1HB SER 11 1HB SER 11 5.537 -12.324 7.092 68 2HB SER 11 2HB SER 11 4.305 -12.568 8.342 69 HG SER 11 HG SER 11 4.487 -13.654 5.700 70 H GLY 12 H GLY 12 4.016 -8.877 5.568 71 1HA GLY 12 1HA GLY 12 3.422 -9.749 2.952 72 2HA GLY 12 2HA GLY 12 4.158 -8.229 3.418 73 H LEU 13 H LEU 13 6.118 -10.452 4.893 74 HA LEU 13 HA LEU 13 8.155 -10.125 2.935 75 1HB LEU 13 1HB LEU 13 8.143 -11.851 5.403 76 2HB LEU 13 2HB LEU 13 9.558 -11.277 4.504 77 HG LEU 13 HG LEU 13 7.812 -9.124 5.477 78 1HD1 LEU 13 1HD1 LEU 13 8.152 -9.328 7.791 79 2HD1 LEU 13 2HD1 LEU 13 7.600 -10.937 7.265 80 3HD1 LEU 13 3HD1 LEU 13 9.326 -10.650 7.594 81 1HD2 LEU 13 1HD2 LEU 13 10.761 -9.753 5.506 82 2HD2 LEU 13 2HD2 LEU 13 9.891 -8.488 4.606 83 3HD2 LEU 13 3HD2 LEU 13 10.083 -8.353 6.372 84 H SER 14 H SER 14 6.266 -11.224 1.425 85 HA SER 14 HA SER 14 7.205 -13.968 1.168 86 1HB SER 14 1HB SER 14 4.578 -13.176 1.836 87 2HB SER 14 2HB SER 14 4.499 -13.634 0.126 88 HG SER 14 HG SER 14 4.248 -15.582 1.072 89 H ASP 15 H ASP 15 8.160 -14.281 -0.810 90 HA ASP 15 HA ASP 15 8.699 -12.504 -2.618 91 1HB ASP 15 1HB ASP 15 8.913 -15.198 -2.527 92 2HB ASP 15 2HB ASP 15 7.689 -15.075 -3.801 93 HD2 ASP 15 HD2 ASP 15 11.232 -13.464 -4.654 94 H GLY 16 H GLY 16 7.090 -10.892 -3.069 95 1HA GLY 16 1HA GLY 16 5.144 -10.012 -3.829 96 2HA GLY 16 2HA GLY 16 5.480 -11.033 -5.211 97 H THR 17 H THR 17 4.048 -11.208 -1.876 98 HA THR 17 HA THR 17 2.495 -13.519 -2.559 99 HB THR 17 HB THR 17 3.369 -12.096 -0.216 100 HG1 THR 17 1HG THR 17 3.067 -14.481 -0.935 101 1HG2 THR 17 1HG2 THR 17 0.343 -12.567 -0.365 102 2HG2 THR 17 2HG2 THR 17 1.258 -12.189 1.114 103 3HG2 THR 17 3HG2 THR 17 1.124 -10.978 -0.183 104 H VAL 18 H VAL 18 0.621 -13.612 -3.615 105 HA VAL 18 HA VAL 18 -0.753 -11.086 -4.085 106 HB VAL 18 HB VAL 18 -1.508 -13.713 -5.307 107 1HG1 VAL 18 1HG1 VAL 18 -2.094 -10.910 -5.722 108 2HG1 VAL 18 2HG1 VAL 18 -1.406 -11.624 -7.201 109 3HG1 VAL 18 3HG1 VAL 18 -2.850 -12.346 -6.452 110 1HG2 VAL 18 1HG2 VAL 18 0.759 -13.925 -5.739 111 2HG2 VAL 18 2HG2 VAL 18 0.207 -13.003 -7.160 112 3HG2 VAL 18 3HG2 VAL 18 1.020 -12.165 -5.816 113 H VAL 19 H VAL 19 -2.508 -10.515 -2.915 114 HA VAL 19 HA VAL 19 -4.272 -12.606 -1.959 115 HB VAL 19 HB VAL 19 -4.196 -11.299 0.323 116 1HG1 VAL 19 1HG1 VAL 19 -3.423 -13.252 1.101 117 2HG1 VAL 19 2HG1 VAL 19 -3.241 -13.746 -0.601 118 3HG1 VAL 19 3HG1 VAL 19 -1.859 -13.049 0.276 119 1HG2 VAL 19 1HG2 VAL 19 -1.391 -10.871 -0.759 120 2HG2 VAL 19 2HG2 VAL 19 -2.575 -9.611 -0.342 121 3HG2 VAL 19 3HG2 VAL 19 -1.887 -10.643 0.934 122 H LYS 20 H LYS 20 -5.964 -11.077 -0.387 123 HA LYS 20 HA LYS 20 -6.700 -8.900 -2.217 124 1HB LYS 20 1HB LYS 20 -8.984 -9.460 -1.980 125 2HB LYS 20 2HB LYS 20 -8.133 -10.963 -2.386 126 1HG LYS 20 1HG LYS 20 -8.228 -11.718 -0.105 127 2HG LYS 20 2HG LYS 20 -8.767 -10.133 0.479 128 1HD LYS 20 1HD LYS 20 -10.648 -10.867 -1.485 129 2HD LYS 20 2HD LYS 20 -10.334 -12.366 -0.595 130 1HE LYS 20 1HE LYS 20 -10.648 -9.968 1.117 131 2HE LYS 20 2HE LYS 20 -12.099 -10.378 0.192 132 1HZ LYS 20 1HZ LYS 20 -10.774 -11.854 2.283 133 2HZ LYS 20 2HZ LYS 20 -12.366 -11.730 1.942 134 3HZ LYS 20 3HZ LYS 20 -11.422 -12.741 1.075 135 H VAL 21 H VAL 21 -7.189 -6.923 -1.310 136 HA VAL 21 HA VAL 21 -6.734 -6.774 1.575 137 HB VAL 21 HB VAL 21 -6.358 -4.943 -0.755 138 1HG1 VAL 21 1HG1 VAL 21 -5.915 -3.162 1.168 139 2HG1 VAL 21 2HG1 VAL 21 -7.521 -3.357 0.428 140 3HG1 VAL 21 3HG1 VAL 21 -7.169 -4.109 2.003 141 1HG2 VAL 21 1HG2 VAL 21 -4.533 -6.378 0.262 142 2HG2 VAL 21 2HG2 VAL 21 -4.177 -4.637 0.153 143 3HG2 VAL 21 3HG2 VAL 21 -4.648 -5.354 1.713 144 H ALA 22 H ALA 22 -8.521 -6.769 2.830 145 HA ALA 22 HA ALA 22 -11.044 -5.985 1.641 146 1HB ALA 22 1HB ALA 22 -10.583 -6.872 4.497 147 2HB ALA 22 2HB ALA 22 -12.028 -7.082 3.479 148 3HB ALA 22 3HB ALA 22 -10.565 -8.042 3.156 149 H GLY 23 H GLY 23 -11.985 -4.012 1.901 150 1HA GLY 23 1HA GLY 23 -10.650 -2.135 3.736 151 2HA GLY 23 2HA GLY 23 -11.599 -1.718 2.322 152 H ALA 24 H ALA 24 -11.632 -2.104 5.728 153 HA ALA 24 HA ALA 24 -14.564 -2.267 5.751 154 1HB ALA 24 1HB ALA 24 -12.552 -3.612 7.228 155 2HB ALA 24 2HB ALA 24 -13.314 -2.464 8.355 156 3HB ALA 24 3HB ALA 24 -14.310 -3.661 7.495 157 H GLY 25 H GLY 25 -15.005 -0.075 5.233 158 1HA GLY 25 1HA GLY 25 -15.704 1.923 6.218 159 2HA GLY 25 2HA GLY 25 -14.470 1.765 7.452 160 H LEU 26 H LEU 26 -13.859 1.234 3.961 161 HA LEU 26 HA LEU 26 -11.892 3.361 4.069 162 1HB LEU 26 1HB LEU 26 -11.698 0.921 3.115 163 2HB LEU 26 2HB LEU 26 -12.369 1.674 1.656 164 HG LEU 26 HG LEU 26 -10.116 1.823 1.253 165 1HD1 LEU 26 1HD1 LEU 26 -11.107 4.327 2.539 166 2HD1 LEU 26 2HD1 LEU 26 -9.382 4.225 2.111 167 3HD1 LEU 26 3HD1 LEU 26 -10.626 4.009 0.854 168 1HD2 LEU 26 1HD2 LEU 26 -8.375 1.918 2.799 169 2HD2 LEU 26 2HD2 LEU 26 -9.400 2.642 4.062 170 3HD2 LEU 26 3HD2 LEU 26 -9.609 0.930 3.616 171 H GLN 27 H GLN 27 -12.439 3.359 0.921 172 HA GLN 27 HA GLN 27 -13.708 5.816 0.938 173 1HB GLN 27 1HB GLN 27 -12.952 3.803 -1.159 174 2HB GLN 27 2HB GLN 27 -13.999 5.153 -1.632 175 1HG GLN 27 1HG GLN 27 -11.151 5.175 -0.640 176 2HG GLN 27 2HG GLN 27 -11.851 6.026 -2.026 177 1HE2 GLN 27 1HE2 GLN 27 -11.215 6.017 1.367 178 2HE2 GLN 27 2HE2 GLN 27 -11.744 7.623 1.742 179 H ALA 28 H ALA 28 -15.720 5.773 2.023 180 HA ALA 28 HA ALA 28 -17.672 3.827 1.615 181 1HB ALA 28 1HB ALA 28 -18.649 4.999 3.268 182 2HB ALA 28 2HB ALA 28 -17.276 6.130 3.186 183 3HB ALA 28 3HB ALA 28 -18.754 6.455 2.251 184 H GLY 29 H GLY 29 -17.635 3.475 -0.727 185 1HA GLY 29 1HA GLY 29 -18.871 3.641 -2.636 186 2HA GLY 29 2HA GLY 29 -19.605 5.121 -2.054 187 H THR 30 H THR 30 -16.246 5.358 -1.580 188 HA THR 30 HA THR 30 -16.026 7.095 -3.907 189 HB THR 30 HB THR 30 -13.674 7.015 -2.222 190 HG1 THR 30 1HG THR 30 -16.286 7.338 -0.927 191 1HG2 THR 30 1HG2 THR 30 -16.019 8.959 -2.507 192 2HG2 THR 30 2HG2 THR 30 -14.606 9.289 -1.477 193 3HG2 THR 30 3HG2 THR 30 -14.404 9.113 -3.237 194 H ALA 31 H ALA 31 -13.493 7.087 -4.688 195 HA ALA 31 HA ALA 31 -12.738 4.313 -5.180 196 1HB ALA 31 1HB ALA 31 -12.687 6.106 -7.555 197 2HB ALA 31 2HB ALA 31 -13.074 4.373 -7.438 198 3HB ALA 31 3HB ALA 31 -14.300 5.588 -7.006 199 H TYR 32 H TYR 32 -10.675 4.218 -4.453 200 HA TYR 32 HA TYR 32 -8.985 6.573 -4.968 201 1HB TYR 32 1HB TYR 32 -9.318 4.514 -2.743 202 2HB TYR 32 2HB TYR 32 -7.742 5.286 -2.943 203 HD1 TYR 32 1HD TYR 32 -8.343 5.919 -0.472 204 HD2 TYR 32 2HD TYR 32 -10.352 7.503 -3.899 205 HE1 TYR 32 1HE TYR 32 -9.157 7.895 0.908 206 HE2 TYR 32 2HE TYR 32 -11.159 9.472 -2.510 207 HH TYR 32 HH TYR 32 -10.612 10.642 -0.564 208 H ASP 33 H ASP 33 -6.500 5.484 -4.399 209 HA ASP 33 HA ASP 33 -6.332 3.401 -6.432 210 1HB ASP 33 1HB ASP 33 -4.742 5.875 -5.899 211 2HB ASP 33 2HB ASP 33 -3.813 4.454 -6.398 212 HD2 ASP 33 HD2 ASP 33 -4.593 5.042 -9.659 213 H VAL 34 H VAL 34 -5.737 1.453 -5.466 214 HA VAL 34 HA VAL 34 -4.654 1.425 -2.830 215 HB VAL 34 HB VAL 34 -5.509 -0.559 -4.889 216 1HG1 VAL 34 1HG1 VAL 34 -3.415 -1.533 -4.217 217 2HG1 VAL 34 2HG1 VAL 34 -3.763 -1.222 -2.497 218 3HG1 VAL 34 3HG1 VAL 34 -4.726 -2.417 -3.400 219 1HG2 VAL 34 1HG2 VAL 34 -7.207 0.236 -3.407 220 2HG2 VAL 34 2HG2 VAL 34 -6.800 -1.420 -2.896 221 3HG2 VAL 34 3HG2 VAL 34 -6.176 -0.027 -1.980 222 H GLY 35 H GLY 35 -2.565 0.715 -2.162 223 1HA GLY 35 1HA GLY 35 -0.523 -0.189 -3.774 224 2HA GLY 35 2HA GLY 35 -0.453 1.557 -3.881 225 H GLN 36 H GLN 36 1.470 -0.349 -2.606 226 HA GLN 36 HA GLN 36 1.115 0.248 0.194 227 1HB GLN 36 1HB GLN 36 3.541 -1.169 -0.856 228 2HB GLN 36 2HB GLN 36 2.617 -1.474 0.624 229 1HG GLN 36 1HG GLN 36 1.500 -3.116 -0.437 230 2HG GLN 36 2HG GLN 36 0.860 -1.940 -1.595 231 1HE2 GLN 36 1HE2 GLN 36 3.146 -1.117 -2.862 232 2HE2 GLN 36 2HE2 GLN 36 3.845 -2.412 -3.773 233 H CYS 37 H CYS 37 1.628 2.382 0.623 234 HA CYS 37 HA CYS 37 4.123 3.369 -0.535 235 1HB CYS 37 1HB CYS 37 1.847 4.560 -0.831 236 2HB CYS 37 2HB CYS 37 2.080 5.096 0.835 237 H ALA 38 H ALA 38 5.286 4.982 1.081 238 HA ALA 38 HA ALA 38 4.965 4.995 3.763 239 1HB ALA 38 1HB ALA 38 6.855 3.129 4.222 240 2HB ALA 38 2HB ALA 38 5.114 2.754 4.245 241 3HB ALA 38 3HB ALA 38 6.083 2.397 2.796 242 H TRP 39 H TRP 39 7.013 5.675 4.921 243 HA TRP 39 HA TRP 39 8.513 7.352 3.166 244 1HB TRP 39 1HB TRP 39 9.723 7.907 5.320 245 2HB TRP 39 2HB TRP 39 8.007 8.304 5.227 246 HD1 TRP 39 HD TRP 39 10.338 5.660 6.869 247 HE1 TRP 39 1HE TRP 39 9.214 4.633 9.024 248 HE3 TRP 39 3HE TRP 39 5.861 8.001 6.293 249 HZ2 TRP 39 2HZ TRP 39 6.637 4.906 10.219 250 HZ3 TRP 39 3HZ TRP 39 4.096 7.567 7.997 251 HH2 TRP 39 HH TRP 39 4.426 6.080 9.910 252 H VAL 40 H VAL 40 10.080 6.477 1.872 253 HA VAL 40 HA VAL 40 11.443 4.083 2.757 254 HB VAL 40 HB VAL 40 10.546 4.382 0.459 255 1HG1 VAL 40 1HG1 VAL 40 11.647 5.824 -1.131 256 2HG1 VAL 40 2HG1 VAL 40 11.121 6.806 0.256 257 3HG1 VAL 40 3HG1 VAL 40 12.832 6.345 0.090 258 1HG2 VAL 40 1HG2 VAL 40 12.392 3.329 -0.650 259 2HG2 VAL 40 2HG2 VAL 40 13.562 4.054 0.481 260 3HG2 VAL 40 3HG2 VAL 40 12.423 2.810 1.054 261 H ASP 41 H ASP 41 12.268 7.472 1.751 262 HA ASP 41 HA ASP 41 14.922 7.065 2.761 263 1HB ASP 41 1HB ASP 41 13.707 8.716 0.815 264 2HB ASP 41 2HB ASP 41 14.232 9.832 2.085 265 HD2 ASP 41 HD2 ASP 41 16.933 9.380 -0.294 266 H THR 42 H THR 42 15.521 9.631 3.817 267 HA THR 42 HA THR 42 14.539 9.440 6.431 268 HB THR 42 HB THR 42 15.993 11.622 4.855 269 HG1 THR 42 1HG THR 42 16.902 9.397 5.372 270 1HG2 THR 42 1HG2 THR 42 16.140 12.923 6.745 271 2HG2 THR 42 2HG2 THR 42 14.707 12.033 7.309 272 3HG2 THR 42 3HG2 THR 42 16.333 11.501 7.797 273 H GLY 43 H GLY 43 12.321 9.421 6.637 274 1HA GLY 43 1HA GLY 43 10.254 10.284 6.806 275 2HA GLY 43 2HA GLY 43 11.016 11.860 6.893 276 H VAL 44 H VAL 44 11.734 9.972 4.029 277 HA VAL 44 HA VAL 44 10.157 11.855 2.471 278 HB VAL 44 HB VAL 44 12.220 9.803 1.648 279 1HG1 VAL 44 1HG1 VAL 44 12.292 11.427 -0.397 280 2HG1 VAL 44 2HG1 VAL 44 11.008 10.200 -0.295 281 3HG1 VAL 44 3HG1 VAL 44 10.661 11.891 0.140 282 1HG2 VAL 44 1HG2 VAL 44 13.342 11.397 3.005 283 2HG2 VAL 44 2HG2 VAL 44 13.660 11.875 1.318 284 3HG2 VAL 44 3HG2 VAL 44 12.449 12.754 2.282 285 H LEU 45 H LEU 45 8.047 11.273 2.241 286 HA LEU 45 HA LEU 45 7.216 8.578 2.360 287 1HB LEU 45 1HB LEU 45 5.888 10.531 3.046 288 2HB LEU 45 2HB LEU 45 5.735 11.006 1.345 289 HG LEU 45 HG LEU 45 3.782 9.774 2.474 290 1HD1 LEU 45 1HD1 LEU 45 3.273 8.509 0.384 291 2HD1 LEU 45 2HD1 LEU 45 3.794 10.189 0.112 292 3HD1 LEU 45 3HD1 LEU 45 4.929 8.848 -0.173 293 1HD2 LEU 45 1HD2 LEU 45 5.088 8.022 3.569 294 2HD2 LEU 45 2HD2 LEU 45 3.891 7.328 2.451 295 3HD2 LEU 45 3HD2 LEU 45 5.608 7.402 1.985 296 H ALA 46 H ALA 46 7.833 7.111 0.852 297 HA ALA 46 HA ALA 46 7.575 7.958 -1.953 298 1HB ALA 46 1HB ALA 46 9.533 5.922 -0.825 299 2HB ALA 46 2HB ALA 46 9.476 6.565 -2.483 300 3HB ALA 46 3HB ALA 46 9.944 7.627 -1.135 301 H CYS 47 H CYS 47 6.698 6.386 -3.415 302 HA CYS 47 HA CYS 47 5.310 4.223 -2.007 303 1HB CYS 47 1HB CYS 47 4.401 5.541 -4.560 304 2HB CYS 47 2HB CYS 47 3.504 4.407 -3.548 305 H ASN 48 H ASN 48 5.094 2.185 -3.262 306 HA ASN 48 HA ASN 48 7.478 1.713 -4.742 307 1HB ASN 48 1HB ASN 48 5.242 -0.308 -4.584 308 2HB ASN 48 2HB ASN 48 6.987 -0.571 -4.433 309 1HD2 ASN 48 1HD2 ASN 48 7.392 1.622 -2.595 310 2HD2 ASN 48 2HD2 ASN 48 6.776 1.142 -1.049 311 HA PRO 49 HA PRO 49 5.614 1.651 -8.720 312 1HB PRO 49 1HB PRO 49 6.543 -0.605 -9.950 313 2HB PRO 49 2HB PRO 49 7.502 0.864 -9.778 314 1HG PRO 49 1HG PRO 49 7.642 -1.680 -8.289 315 2HG PRO 49 2HG PRO 49 8.897 -0.400 -8.445 316 1HD PRO 49 1HD PRO 49 7.205 -0.972 -6.207 317 2HD PRO 49 2HD PRO 49 8.311 0.398 -6.368 318 H ALA 50 H ALA 50 4.789 -0.780 -6.574 319 HA ALA 50 HA ALA 50 2.591 -1.608 -8.336 320 1HB ALA 50 1HB ALA 50 4.342 -2.969 -6.407 321 2HB ALA 50 2HB ALA 50 2.615 -3.289 -6.116 322 3HB ALA 50 3HB ALA 50 3.333 -3.648 -7.705 323 H ASP 51 H ASP 51 3.001 0.933 -6.589 324 HA ASP 51 HA ASP 51 1.016 0.527 -4.569 325 1HB ASP 51 1HB ASP 51 2.614 2.044 -3.830 326 2HB ASP 51 2HB ASP 51 2.853 2.746 -5.438 327 HD2 ASP 51 HD2 ASP 51 0.531 5.216 -4.852 328 H PHE 52 H PHE 52 0.794 0.664 -7.811 329 HA PHE 52 HA PHE 52 -1.406 2.602 -7.862 330 1HB PHE 52 1HB PHE 52 -0.235 1.254 -10.303 331 2HB PHE 52 2HB PHE 52 -0.785 2.925 -10.134 332 HD1 PHE 52 1HD PHE 52 0.775 3.985 -7.968 333 HD2 PHE 52 2HD PHE 52 1.952 1.257 -10.997 334 HE1 PHE 52 1HE PHE 52 3.158 4.730 -7.711 335 HE2 PHE 52 2HE PHE 52 4.336 2.001 -10.741 336 HZ PHE 52 HZ PHE 52 4.910 3.728 -9.101 337 H SER 53 H SER 53 -3.253 1.493 -7.284 338 HA SER 53 HA SER 53 -4.026 -0.592 -9.095 339 1HB SER 53 1HB SER 53 -2.873 -1.800 -7.250 340 2HB SER 53 2HB SER 53 -3.993 -1.078 -6.082 341 HG SER 53 HG SER 53 -5.288 -2.321 -8.217 342 H SER 54 H SER 54 -5.506 1.168 -9.724 343 HA SER 54 HA SER 54 -7.096 2.573 -8.064 344 1HB SER 54 1HB SER 54 -8.489 3.007 -9.951 345 2HB SER 54 2HB SER 54 -6.863 2.743 -10.607 346 HG SER 54 HG SER 54 -7.492 0.843 -11.500 347 H VAL 55 H VAL 55 -8.871 2.157 -6.763 348 HA VAL 55 HA VAL 55 -10.470 -0.196 -7.281 349 HB VAL 55 HB VAL 55 -8.326 -0.551 -5.678 350 1HG1 VAL 55 1HG1 VAL 55 -10.595 0.201 -3.804 351 2HG1 VAL 55 2HG1 VAL 55 -9.032 -0.509 -3.333 352 3HG1 VAL 55 3HG1 VAL 55 -9.091 1.124 -4.041 353 1HG2 VAL 55 1HG2 VAL 55 -10.544 -1.999 -6.446 354 2HG2 VAL 55 2HG2 VAL 55 -9.190 -2.617 -5.472 355 3HG2 VAL 55 3HG2 VAL 55 -10.664 -2.021 -4.671 356 H THR 56 H THR 56 -12.453 -0.197 -5.876 357 HA THR 56 HA THR 56 -13.000 2.433 -4.705 358 HB THR 56 HB THR 56 -13.880 1.605 -7.276 359 HG1 THR 56 1HG THR 56 -15.073 3.636 -6.929 360 1HG2 THR 56 1HG2 THR 56 -15.665 0.204 -6.310 361 2HG2 THR 56 2HG2 THR 56 -16.089 1.490 -5.154 362 3HG2 THR 56 3HG2 THR 56 -16.389 1.722 -6.894 363 H ALA 57 H ALA 57 -14.544 2.450 -3.036 364 HA ALA 57 HA ALA 57 -15.089 -0.245 -2.008 365 1HB ALA 57 1HB ALA 57 -14.160 2.291 -0.832 366 2HB ALA 57 2HB ALA 57 -15.514 1.552 0.060 367 3HB ALA 57 3HB ALA 57 -14.020 0.627 -0.216 368 H ASP 58 H ASP 58 -17.200 -0.762 -1.259 369 HA ASP 58 HA ASP 58 -19.225 0.505 -2.720 370 1HB ASP 58 1HB ASP 58 -19.848 -1.184 -0.309 371 2HB ASP 58 2HB ASP 58 -20.612 -1.199 -1.907 372 HD2 ASP 58 HD2 ASP 58 -17.373 -3.008 -2.706 373 H ALA 59 H ALA 59 -21.228 1.518 -1.694 374 HA ALA 59 HA ALA 59 -20.726 3.672 -0.161 375 1HB ALA 59 1HB ALA 59 -22.918 3.956 -0.560 376 2HB ALA 59 2HB ALA 59 -22.987 2.290 -1.183 377 3HB ALA 59 3HB ALA 59 -23.327 2.612 0.533 378 H ASN 60 H ASN 60 -20.926 0.302 0.868 379 HA ASN 60 HA ASN 60 -21.224 1.041 3.617 380 1HB ASN 60 1HB ASN 60 -22.109 -1.113 2.448 381 2HB ASN 60 2HB ASN 60 -20.444 -1.710 2.546 382 1HD2 ASN 60 1HD2 ASN 60 -23.012 -2.543 3.814 383 2HD2 ASN 60 2HD2 ASN 60 -22.714 -2.602 5.520 384 H GLY 61 H GLY 61 -18.899 2.151 2.207 385 1HA GLY 61 1HA GLY 61 -16.639 2.251 2.243 386 2HA GLY 61 2HA GLY 61 -16.859 1.919 3.951 387 H SER 62 H SER 62 -17.657 -0.342 1.264 388 HA SER 62 HA SER 62 -15.773 -2.187 2.461 389 1HB SER 62 1HB SER 62 -17.728 -2.859 0.252 390 2HB SER 62 2HB SER 62 -17.038 -3.938 1.476 391 HG SER 62 HG SER 62 -18.312 -2.775 3.082 392 H ALA 63 H ALA 63 -13.738 -1.674 1.605 393 HA ALA 63 HA ALA 63 -13.558 -1.295 -1.284 394 1HB ALA 63 1HB ALA 63 -11.020 -1.040 -0.073 395 2HB ALA 63 2HB ALA 63 -12.094 0.274 -0.611 396 3HB ALA 63 3HB ALA 63 -12.170 -0.305 1.069 397 H SER 64 H SER 64 -13.908 -3.450 -2.014 398 HA SER 64 HA SER 64 -12.202 -5.481 -0.915 399 1HB SER 64 1HB SER 64 -13.419 -6.966 -2.535 400 2HB SER 64 2HB SER 64 -14.489 -6.120 -1.404 401 HG SER 64 HG SER 64 -15.510 -5.633 -3.248 402 H THR 65 H THR 65 -10.118 -4.566 -1.598 403 HA THR 65 HA THR 65 -9.695 -4.662 -4.508 404 HB THR 65 HB THR 65 -9.246 -2.484 -3.337 405 HG1 THR 65 1HG THR 65 -7.400 -2.380 -4.605 406 1HG2 THR 65 1HG2 THR 65 -8.103 -4.147 -1.328 407 2HG2 THR 65 2HG2 THR 65 -6.727 -3.348 -2.124 408 3HG2 THR 65 3HG2 THR 65 -8.030 -2.371 -1.404 409 H SER 66 H SER 66 -7.359 -5.344 -5.100 410 HA SER 66 HA SER 66 -6.343 -7.340 -3.306 411 1HB SER 66 1HB SER 66 -6.394 -9.131 -5.027 412 2HB SER 66 2HB SER 66 -8.024 -8.630 -4.541 413 HG SER 66 HG SER 66 -7.757 -7.105 -6.520 414 H LEU 67 H LEU 67 -4.110 -7.821 -3.730 415 HA LEU 67 HA LEU 67 -2.862 -7.022 -6.140 416 1HB LEU 67 1HB LEU 67 -3.391 -4.884 -4.621 417 2HB LEU 67 2HB LEU 67 -1.838 -5.360 -3.912 418 HG LEU 67 HG LEU 67 -0.848 -5.273 -6.206 419 1HD1 LEU 67 1HD1 LEU 67 -2.369 -3.717 -7.754 420 2HD1 LEU 67 2HD1 LEU 67 -2.427 -5.496 -7.818 421 3HD1 LEU 67 3HD1 LEU 67 -3.659 -4.598 -6.902 422 1HD2 LEU 67 1HD2 LEU 67 -0.355 -3.418 -4.889 423 2HD2 LEU 67 2HD2 LEU 67 -1.030 -2.704 -6.374 424 3HD2 LEU 67 3HD2 LEU 67 -2.034 -2.829 -4.910 425 H THR 68 H THR 68 -0.291 -7.041 -5.658 426 HA THR 68 HA THR 68 0.105 -9.384 -3.921 427 HB THR 68 HB THR 68 1.461 -8.427 -6.491 428 HG1 THR 68 1HG THR 68 0.399 -10.336 -7.224 429 1HG2 THR 68 1HG2 THR 68 2.091 -10.840 -4.706 430 2HG2 THR 68 2HG2 THR 68 2.761 -10.563 -6.333 431 3HG2 THR 68 3HG2 THR 68 3.179 -9.460 -4.998 432 H VAL 69 H VAL 69 1.801 -9.460 -2.450 433 HA VAL 69 HA VAL 69 2.730 -6.828 -1.671 434 HB VAL 69 HB VAL 69 3.178 -9.493 -0.329 435 1HG1 VAL 69 1HG1 VAL 69 4.226 -6.974 0.210 436 2HG1 VAL 69 2HG1 VAL 69 2.869 -7.125 1.352 437 3HG1 VAL 69 3HG1 VAL 69 4.155 -8.354 1.333 438 1HG2 VAL 69 1HG2 VAL 69 0.738 -8.996 -0.775 439 2HG2 VAL 69 2HG2 VAL 69 1.180 -9.185 0.938 440 3HG2 VAL 69 3HG2 VAL 69 0.921 -7.559 0.260 441 H ARG 70 H ARG 70 4.209 -6.349 -3.388 442 HA ARG 70 HA ARG 70 6.332 -8.219 -3.805 443 1HB ARG 70 1HB ARG 70 5.575 -5.531 -4.996 444 2HB ARG 70 2HB ARG 70 7.140 -6.272 -5.370 445 1HG ARG 70 1HG ARG 70 4.774 -8.061 -5.620 446 2HG ARG 70 2HG ARG 70 4.831 -6.727 -6.786 447 1HD ARG 70 1HD ARG 70 7.448 -7.682 -6.795 448 2HD ARG 70 2HD ARG 70 6.500 -9.166 -6.606 449 HE ARG 70 HE ARG 70 5.496 -7.352 -8.685 450 1HH1 ARG 70 1HH1 ARG 70 7.688 -10.013 -7.976 451 2HH1 ARG 70 2HH1 ARG 70 7.757 -10.562 -9.618 452 1HH2 ARG 70 1HH2 ARG 70 5.587 -8.075 -10.850 453 2HH2 ARG 70 2HH2 ARG 70 6.554 -9.451 -11.263 454 H ARG 71 H ARG 71 7.023 -8.014 -1.434 455 HA ARG 71 HA ARG 71 7.767 -5.909 -0.095 456 1HB ARG 71 1HB ARG 71 8.177 -8.145 0.748 457 2HB ARG 71 2HB ARG 71 9.394 -8.465 -0.500 458 1HG ARG 71 1HG ARG 71 10.110 -6.062 0.935 459 2HG ARG 71 2HG ARG 71 9.781 -7.346 2.110 460 1HD ARG 71 1HD ARG 71 11.676 -7.532 -0.275 461 2HD ARG 71 2HD ARG 71 12.172 -7.335 1.414 462 HE ARG 71 HE ARG 71 11.132 -9.786 0.134 463 1HH1 ARG 71 1HH1 ARG 71 11.938 -8.148 3.143 464 2HH1 ARG 71 2HH1 ARG 71 12.052 -9.615 4.058 465 1HH2 ARG 71 1HH2 ARG 71 11.282 -11.721 1.343 466 2HH2 ARG 71 2HH2 ARG 71 11.677 -11.659 3.028 467 H SER 72 H SER 72 9.489 -7.221 -2.957 468 HA SER 72 HA SER 72 11.419 -5.062 -2.700 469 1HB SER 72 1HB SER 72 12.766 -6.318 -4.337 470 2HB SER 72 2HB SER 72 12.357 -7.336 -2.944 471 HG SER 72 HG SER 72 12.093 -8.228 -5.237 472 H PHE 73 H PHE 73 11.533 -3.419 -4.255 473 HA PHE 73 HA PHE 73 10.820 -3.451 -6.833 474 1HB PHE 73 1HB PHE 73 8.424 -2.371 -6.570 475 2HB PHE 73 2HB PHE 73 8.548 -4.127 -6.399 476 HD1 PHE 73 1HD PHE 73 9.984 -2.478 -3.614 477 HD2 PHE 73 2HD PHE 73 6.259 -3.656 -5.271 478 HE1 PHE 73 1HE PHE 73 8.923 -2.317 -1.345 479 HE2 PHE 73 2HE PHE 73 5.198 -3.494 -3.002 480 HZ PHE 73 HZ PHE 73 6.544 -2.827 -1.066 481 H GLU 74 H GLU 74 11.829 -1.624 -7.504 482 HA GLU 74 HA GLU 74 12.197 0.489 -5.644 483 1HB GLU 74 1HB GLU 74 13.992 -0.164 -7.166 484 2HB GLU 74 2HB GLU 74 12.986 0.209 -8.578 485 1HG GLU 74 1HG GLU 74 12.836 2.597 -7.661 486 2HG GLU 74 2HG GLU 74 14.097 2.148 -6.502 487 HE2 GLU 74 HE2 GLU 74 15.061 2.787 -10.284 488 H GLY 75 H GLY 75 10.749 2.110 -5.288 489 1HA GLY 75 1HA GLY 75 8.800 2.701 -7.420 490 2HA GLY 75 2HA GLY 75 8.585 2.989 -5.704 491 H PHE 76 H PHE 76 8.155 5.232 -5.881 492 HA PHE 76 HA PHE 76 10.511 6.805 -6.633 493 1HB PHE 76 1HB PHE 76 9.118 8.229 -7.917 494 2HB PHE 76 2HB PHE 76 8.325 6.676 -8.198 495 HD1 PHE 76 1HD PHE 76 6.315 6.100 -6.744 496 HD2 PHE 76 2HD PHE 76 7.961 10.006 -6.946 497 HE1 PHE 76 1HE PHE 76 4.173 7.048 -5.843 498 HE2 PHE 76 2HE PHE 76 5.818 10.955 -6.047 499 HZ PHE 76 HZ PHE 76 3.950 9.465 -5.506 500 H LEU 77 H LEU 77 10.753 8.839 -5.480 501 HA LEU 77 HA LEU 77 9.572 8.669 -2.834 502 1HB LEU 77 1HB LEU 77 11.782 10.360 -3.986 503 2HB LEU 77 2HB LEU 77 11.238 10.427 -2.300 504 HG LEU 77 HG LEU 77 11.884 7.713 -3.068 505 1HD1 LEU 77 1HD1 LEU 77 13.390 8.596 -4.699 506 2HD1 LEU 77 2HD1 LEU 77 14.026 9.799 -3.550 507 3HD1 LEU 77 3HD1 LEU 77 14.354 8.068 -3.298 508 1HD2 LEU 77 1HD2 LEU 77 11.722 8.425 -0.771 509 2HD2 LEU 77 2HD2 LEU 77 13.387 7.893 -1.102 510 3HD2 LEU 77 3HD2 LEU 77 13.009 9.629 -1.008 511 H PHE 78 H PHE 78 9.120 11.018 -1.842 512 HA PHE 78 HA PHE 78 6.840 11.936 -3.161 513 1HB PHE 78 1HB PHE 78 7.196 12.146 -0.739 514 2HB PHE 78 2HB PHE 78 8.709 13.027 -0.982 515 HD1 PHE 78 1HD PHE 78 8.690 15.386 -1.497 516 HD2 PHE 78 2HD PHE 78 5.051 13.252 -1.036 517 HE1 PHE 78 1HE PHE 78 7.437 17.556 -1.340 518 HE2 PHE 78 2HE PHE 78 3.798 15.421 -0.880 519 HZ PHE 78 HZ PHE 78 5.006 17.548 -1.035 520 H ASP 79 H ASP 79 10.243 12.735 -3.517 521 HA ASP 79 HA ASP 79 9.760 15.321 -4.568 522 1HB ASP 79 1HB ASP 79 11.901 14.492 -3.459 523 2HB ASP 79 2HB ASP 79 12.225 13.558 -4.928 524 HD2 ASP 79 HD2 ASP 79 12.503 16.845 -6.580 525 H GLY 80 H GLY 80 10.958 12.144 -5.916 526 1HA GLY 80 1HA GLY 80 9.369 11.873 -8.082 527 2HA GLY 80 2HA GLY 80 10.564 13.026 -8.639 528 H THR 81 H THR 81 12.635 11.821 -6.698 529 HA THR 81 HA THR 81 13.998 10.230 -8.453 530 HB THR 81 HB THR 81 13.957 10.465 -5.412 531 HG1 THR 81 1HG THR 81 14.703 12.170 -7.016 532 1HG2 THR 81 1HG2 THR 81 15.778 9.033 -5.188 533 2HG2 THR 81 2HG2 THR 81 14.986 8.211 -6.554 534 3HG2 THR 81 3HG2 THR 81 16.339 9.329 -6.852 535 H ARG 82 H ARG 82 14.032 8.144 -9.114 536 HA ARG 82 HA ARG 82 11.738 6.624 -8.427 537 1HB ARG 82 1HB ARG 82 13.200 6.823 -10.688 538 2HB ARG 82 2HB ARG 82 14.007 5.407 -9.993 539 1HG ARG 82 1HG ARG 82 12.069 4.099 -10.094 540 2HG ARG 82 2HG ARG 82 10.985 5.501 -10.092 541 1HD ARG 82 1HD ARG 82 11.218 5.845 -12.369 542 2HD ARG 82 2HD ARG 82 12.871 5.217 -12.418 543 HE ARG 82 HE ARG 82 10.969 3.133 -11.755 544 1HH1 ARG 82 1HH1 ARG 82 12.233 5.007 -14.452 545 2HH1 ARG 82 2HH1 ARG 82 11.869 3.793 -15.633 546 1HH2 ARG 82 1HH2 ARG 82 10.489 1.530 -13.312 547 2HH2 ARG 82 2HH2 ARG 82 10.871 1.801 -14.980 548 H TRP 83 H TRP 83 12.276 6.392 -6.066 549 HA TRP 83 HA TRP 83 14.380 4.388 -5.621 550 1HB TRP 83 1HB TRP 83 14.800 6.482 -4.487 551 2HB TRP 83 2HB TRP 83 13.206 6.438 -3.732 552 HD1 TRP 83 HD TRP 83 13.096 3.572 -2.496 553 HE1 TRP 83 1HE TRP 83 14.693 2.726 -0.574 554 HE3 TRP 83 3HE TRP 83 16.790 6.960 -3.356 555 HZ2 TRP 83 2HZ TRP 83 17.265 3.549 0.351 556 HZ3 TRP 83 3HZ TRP 83 18.810 6.871 -1.898 557 HH2 TRP 83 HH TRP 83 19.081 5.240 -0.098 558 H GLY 84 H GLY 84 11.584 5.390 -3.577 559 1HA GLY 84 1HA GLY 84 9.876 4.216 -2.710 560 2HA GLY 84 2HA GLY 84 9.781 3.392 -4.254 561 H THR 85 H THR 85 10.073 2.849 -0.999 562 HA THR 85 HA THR 85 11.437 1.355 0.199 563 HB THR 85 HB THR 85 9.500 -0.295 -1.506 564 HG1 THR 85 1HG THR 85 8.111 0.445 0.403 565 1HG2 THR 85 1HG2 THR 85 10.172 -0.520 1.465 566 2HG2 THR 85 2HG2 THR 85 9.252 -1.671 0.468 567 3HG2 THR 85 3HG2 THR 85 11.007 -1.494 0.233 568 H VAL 86 H VAL 86 10.899 -0.632 -2.753 569 HA VAL 86 HA VAL 86 12.407 -1.408 -4.231 570 HB VAL 86 HB VAL 86 13.824 0.682 -3.219 571 1HG1 VAL 86 1HG1 VAL 86 15.878 0.065 -2.318 572 2HG1 VAL 86 2HG1 VAL 86 14.757 -1.071 -1.527 573 3HG1 VAL 86 3HG1 VAL 86 15.749 -1.612 -2.903 574 1HG2 VAL 86 1HG2 VAL 86 14.007 -1.164 -5.437 575 2HG2 VAL 86 2HG2 VAL 86 14.422 0.565 -5.364 576 3HG2 VAL 86 3HG2 VAL 86 15.632 -0.661 -4.913 577 H ASP 87 H ASP 87 12.880 -1.693 -0.705 578 HA ASP 87 HA ASP 87 12.872 -4.522 -1.006 579 1HB ASP 87 1HB ASP 87 15.348 -3.486 -1.144 580 2HB ASP 87 2HB ASP 87 15.184 -3.480 0.619 581 HD2 ASP 87 HD2 ASP 87 16.672 -6.613 -0.157 582 H CYS 88 H CYS 88 10.998 -4.449 0.367 583 HA CYS 88 HA CYS 88 10.925 -2.871 2.698 584 1HB CYS 88 1HB CYS 88 9.066 -4.103 1.181 585 2HB CYS 88 2HB CYS 88 9.158 -5.241 2.529 586 H THR 89 H THR 89 13.282 -3.815 3.201 587 HA THR 89 HA THR 89 12.986 -6.294 4.756 588 HB THR 89 HB THR 89 15.390 -6.552 4.400 589 HG1 THR 89 1HG THR 89 15.192 -3.979 3.022 590 1HG2 THR 89 1HG2 THR 89 14.089 -7.128 2.354 591 2HG2 THR 89 2HG2 THR 89 14.106 -5.419 1.857 592 3HG2 THR 89 3HG2 THR 89 15.624 -6.347 1.907 593 H THR 90 H THR 90 12.883 -2.955 5.096 594 HA THR 90 HA THR 90 13.362 -3.227 7.940 595 HB THR 90 HB THR 90 15.033 -1.462 6.086 596 HG1 THR 90 1HG THR 90 16.623 -2.654 7.604 597 1HG2 THR 90 1HG2 THR 90 15.618 -1.431 8.990 598 2HG2 THR 90 2HG2 THR 90 15.582 -0.077 7.837 599 3HG2 THR 90 3HG2 THR 90 14.072 -0.644 8.589 600 H ALA 91 H ALA 91 12.542 -1.096 5.147 601 HA ALA 91 HA ALA 91 11.065 0.691 6.807 602 1HB ALA 91 1HB ALA 91 10.463 0.634 3.915 603 2HB ALA 91 2HB ALA 91 11.052 1.968 4.934 604 3HB ALA 91 3HB ALA 91 12.198 0.771 4.290 605 H ALA 92 H ALA 92 8.886 0.703 7.292 606 HA ALA 92 HA ALA 92 7.471 -1.749 6.680 607 1HB ALA 92 1HB ALA 92 7.534 0.211 8.795 608 2HB ALA 92 2HB ALA 92 5.873 0.083 8.167 609 3HB ALA 92 3HB ALA 92 6.716 -1.369 8.759 610 H CYS 93 H CYS 93 6.507 -1.852 4.703 611 HA CYS 93 HA CYS 93 5.547 0.587 3.506 612 1HB CYS 93 1HB CYS 93 5.067 -2.052 2.239 613 2HB CYS 93 2HB CYS 93 5.538 -0.511 1.515 614 H GLN 94 H GLN 94 3.420 1.253 3.645 615 HA GLN 94 HA GLN 94 1.590 -0.633 4.874 616 1HB GLN 94 1HB GLN 94 0.398 1.197 5.714 617 2HB GLN 94 2HB GLN 94 2.072 1.776 5.777 618 1HG GLN 94 1HG GLN 94 1.716 2.897 3.564 619 2HG GLN 94 2HG GLN 94 0.024 2.377 3.591 620 1HE2 GLN 94 1HE2 GLN 94 2.427 3.915 5.730 621 2HE2 GLN 94 2HE2 GLN 94 1.403 5.167 6.345 622 H VAL 95 H VAL 95 0.101 -1.660 3.615 623 HA VAL 95 HA VAL 95 -0.274 -0.684 0.909 624 HB VAL 95 HB VAL 95 -1.573 -3.129 2.048 625 1HG1 VAL 95 1HG1 VAL 95 -0.879 -2.033 -0.594 626 2HG1 VAL 95 2HG1 VAL 95 -0.477 -3.756 -0.392 627 3HG1 VAL 95 3HG1 VAL 95 -2.145 -3.193 -0.127 628 1HG2 VAL 95 1HG2 VAL 95 0.589 -4.358 1.395 629 2HG2 VAL 95 2HG2 VAL 95 1.380 -2.767 1.513 630 3HG2 VAL 95 3HG2 VAL 95 0.578 -3.472 2.939 631 H GLY 96 H GLY 96 -1.930 0.634 0.370 632 1HA GLY 96 1HA GLY 96 -4.562 0.243 1.400 633 2HA GLY 96 2HA GLY 96 -3.788 1.628 2.145 634 H LEU 97 H LEU 97 -5.968 2.265 0.716 635 HA LEU 97 HA LEU 97 -4.985 3.063 -1.927 636 1HB LEU 97 1HB LEU 97 -7.464 3.497 -2.309 637 2HB LEU 97 2HB LEU 97 -6.897 1.820 -2.263 638 HG LEU 97 HG LEU 97 -8.023 3.105 0.207 639 1HD1 LEU 97 1HD1 LEU 97 -9.506 2.463 -2.268 640 2HD1 LEU 97 2HD1 LEU 97 -10.199 1.817 -0.762 641 3HD1 LEU 97 3HD1 LEU 97 -9.909 3.564 -0.930 642 1HD2 LEU 97 1HD2 LEU 97 -8.154 1.008 1.037 643 2HD2 LEU 97 2HD2 LEU 97 -8.578 0.288 -0.534 644 3HD2 LEU 97 3HD2 LEU 97 -6.883 0.693 -0.170 645 H SER 98 H SER 98 -4.583 5.180 -2.351 646 HA SER 98 HA SER 98 -5.149 7.003 -0.176 647 1HB SER 98 1HB SER 98 -3.576 8.525 -1.437 648 2HB SER 98 2HB SER 98 -2.843 7.007 -0.886 649 HG SER 98 HG SER 98 -3.647 7.787 -3.542 650 H ASP 99 H ASP 99 -5.806 9.323 -0.859 651 HA ASP 99 HA ASP 99 -8.036 9.040 -2.626 652 1HB ASP 99 1HB ASP 99 -7.366 11.741 -1.606 653 2HB ASP 99 2HB ASP 99 -8.895 10.853 -1.507 654 HD2 ASP 99 HD2 ASP 99 -8.312 10.407 1.819 655 H ALA 100 H ALA 100 -8.416 10.762 -4.375 656 HA ALA 100 HA ALA 100 -5.937 11.212 -5.803 657 1HB ALA 100 1HB ALA 100 -8.142 10.258 -6.760 658 2HB ALA 100 2HB ALA 100 -8.741 11.933 -6.701 659 3HB ALA 100 3HB ALA 100 -7.322 11.529 -7.696 660 H ALA 101 H ALA 101 -7.123 12.727 -3.256 661 HA ALA 101 HA ALA 101 -6.987 15.417 -4.416 662 1HB ALA 101 1HB ALA 101 -8.973 14.601 -2.982 663 2HB ALA 101 2HB ALA 101 -7.847 14.678 -1.605 664 3HB ALA 101 3HB ALA 101 -8.222 16.151 -2.533 665 H GLY 102 H GLY 102 -5.318 13.022 -2.475 666 1HA GLY 102 1HA GLY 102 -3.094 13.102 -1.905 667 2HA GLY 102 2HA GLY 102 -3.056 14.828 -2.210 668 H ASN 103 H ASN 103 -5.080 12.697 -0.061 669 HA ASN 103 HA ASN 103 -4.334 14.507 2.099 670 1HB ASN 103 1HB ASN 103 -6.849 12.822 1.681 671 2HB ASN 103 2HB ASN 103 -6.508 13.702 3.177 672 1HD2 ASN 103 1HD2 ASN 103 -8.613 13.900 1.044 673 2HD2 ASN 103 2HD2 ASN 103 -8.641 15.563 0.559 674 H GLY 104 H GLY 104 -3.995 13.448 4.248 675 1HA GLY 104 1HA GLY 104 -2.325 11.409 4.447 676 2HA GLY 104 2HA GLY 104 -3.567 11.697 5.649 677 HA PRO 105 HA PRO 105 -4.867 8.157 2.733 678 1HB PRO 105 1HB PRO 105 -2.827 6.745 1.593 679 2HB PRO 105 2HB PRO 105 -3.731 7.991 0.737 680 1HG PRO 105 1HG PRO 105 -1.031 8.083 1.924 681 2HG PRO 105 2HG PRO 105 -1.740 9.156 0.664 682 1HD PRO 105 1HD PRO 105 -1.293 9.720 3.435 683 2HD PRO 105 2HD PRO 105 -2.141 10.748 2.273 684 H GLU 106 H GLU 106 -5.545 6.239 3.581 685 HA GLU 106 HA GLU 106 -4.007 5.515 5.907 686 1HB GLU 106 1HB GLU 106 -6.794 5.390 5.085 687 2HB GLU 106 2HB GLU 106 -6.261 3.814 5.693 688 1HG GLU 106 1HG GLU 106 -6.869 4.805 7.687 689 2HG GLU 106 2HG GLU 106 -5.183 5.341 7.623 690 HE2 GLU 106 HE2 GLU 106 -6.119 8.640 7.302 691 H GLY 107 H GLY 107 -3.079 3.439 6.258 692 1HA GLY 107 1HA GLY 107 -3.365 1.370 4.266 693 2HA GLY 107 2HA GLY 107 -1.807 2.173 4.238 694 H VAL 108 H VAL 108 -2.282 -0.621 4.936 695 HA VAL 108 HA VAL 108 -1.699 -0.585 7.811 696 HB VAL 108 HB VAL 108 -3.629 -1.935 6.659 697 1HG1 VAL 108 1HG1 VAL 108 -1.367 -3.929 6.362 698 2HG1 VAL 108 2HG1 VAL 108 -3.070 -4.121 5.882 699 3HG1 VAL 108 3HG1 VAL 108 -2.018 -2.982 5.004 700 1HG2 VAL 108 1HG2 VAL 108 -2.027 -2.292 9.014 701 2HG2 VAL 108 2HG2 VAL 108 -3.748 -2.668 8.760 702 3HG2 VAL 108 3HG2 VAL 108 -2.507 -3.889 8.393 703 H ALA 109 H ALA 109 0.365 -0.923 8.459 704 HA ALA 109 HA ALA 109 2.406 -1.263 6.551 705 1HB ALA 109 1HB ALA 109 2.414 -1.555 9.583 706 2HB ALA 109 2HB ALA 109 3.857 -1.383 8.554 707 3HB ALA 109 3HB ALA 109 2.686 -0.048 8.675 708 H ILE 110 H ILE 110 2.129 -3.148 5.320 709 HA ILE 110 HA ILE 110 1.893 -5.652 6.780 710 HB ILE 110 HB ILE 110 0.757 -4.723 4.469 711 1HG1 ILE 110 1HG1 ILE 110 -0.058 -7.020 4.192 712 2HG1 ILE 110 2HG1 ILE 110 1.159 -7.600 5.342 713 1HG2 ILE 110 1HG2 ILE 110 2.792 -4.907 3.182 714 2HG2 ILE 110 2HG2 ILE 110 3.016 -6.593 3.706 715 3HG2 ILE 110 3HG2 ILE 110 1.645 -6.161 2.657 716 1HD1 ILE 110 1HD1 ILE 110 -0.112 -5.463 6.667 717 2HD1 ILE 110 2HD1 ILE 110 -1.430 -6.326 5.840 718 3HD1 ILE 110 3HD1 ILE 110 -0.365 -7.198 6.970 719 H SER 111 H SER 111 3.467 -7.288 6.750 720 HA SER 111 HA SER 111 5.625 -7.450 5.167 721 1HB SER 111 1HB SER 111 5.913 -5.141 6.770 722 2HB SER 111 2HB SER 111 7.001 -6.343 7.485 723 HG SER 111 HG SER 111 8.044 -6.575 5.458 724 H PHE 112 H PHE 112 5.059 -7.267 8.763 725 HA PHE 112 HA PHE 112 5.512 -10.152 8.854 726 1HB PHE 112 1HB PHE 112 6.651 -9.327 11.187 727 2HB PHE 112 2HB PHE 112 7.602 -9.464 9.703 728 HD1 PHE 112 1HD PHE 112 5.706 -7.068 11.807 729 HD2 PHE 112 2HD PHE 112 8.639 -7.568 8.782 730 HE1 PHE 112 1HE PHE 112 6.302 -4.636 11.982 731 HE2 PHE 112 2HE PHE 112 9.234 -5.137 8.955 732 HZ PHE 112 HZ PHE 112 8.058 -3.699 10.554 733 H ASN 113 H ASN 113 4.434 -11.231 10.611 734 HA ASN 113 HA ASN 113 2.005 -10.063 11.269 735 1HB ASN 113 1HB ASN 113 1.873 -12.052 12.907 736 2HB ASN 113 2HB ASN 113 2.141 -12.474 11.210 737 1HD2 ASN 113 1HD2 ASN 113 3.145 -14.386 11.588 738 2HD2 ASN 113 2HD2 ASN 113 4.712 -14.551 12.305 739 6H NCZ 130 6H NCZ 130 0.560 13.633 -0.776 740 6H1 NCZ 130 6H1 NCZ 130 -0.244 10.884 -1.304 741 5H1 NCZ 130 5H1 NCZ 130 -1.825 12.195 0.362 742 4H1 NCZ 130 4H1 NCZ 130 -0.301 12.376 2.650 743 5H NCZ 130 5H NCZ 130 3.113 12.536 1.412 744 3H1 NCZ 130 3H1 NCZ 130 1.622 10.937 2.231 745 2H1 NCZ 130 2H1 NCZ 130 2.310 11.311 -0.563 746 2H NCZ 130 2H NCZ 130 0.621 8.592 -3.818 747 8H NCZ 130 8H NCZ 130 -0.505 5.585 -3.768 748 7H NCZ 130 7H NCZ 130 -1.371 4.358 -1.806 749 3H NCZ 130 3H NCZ 130 -0.737 4.708 2.841 750 1H17 NCZ 130 1H17 NCZ 130 1.547 7.916 4.993 751 2H17 NCZ 130 2H17 NCZ 130 2.256 8.178 3.384 752 3H17 NCZ 130 3H17 NCZ 130 0.593 8.712 3.720 753 1H18 NCZ 130 1H18 NCZ 130 -1.526 3.238 -0.370 754 2H18 NCZ 130 2H18 NCZ 130 -1.481 3.023 1.395 755 3H18 NCZ 130 3H18 NCZ 130 -2.711 4.077 0.658 756 1H NCZ 130 1H NCZ 130 1.580 7.889 1.262 Start of MODEL 37 1 H ALA 1 H ALA 1 -12.317 -8.494 13.449 2 HA ALA 1 HA ALA 1 -11.096 -6.373 13.370 3 1HB ALA 1 1HB ALA 1 -9.329 -7.470 14.233 4 2HB ALA 1 2HB ALA 1 -10.097 -8.984 13.694 5 3HB ALA 1 3HB ALA 1 -8.912 -8.164 12.647 6 H ALA 2 H ALA 2 -8.578 -6.177 12.007 7 HA ALA 2 HA ALA 2 -7.739 -5.245 10.185 8 1HB ALA 2 1HB ALA 2 -9.161 -6.519 8.069 9 2HB ALA 2 2HB ALA 2 -7.554 -6.929 8.712 10 3HB ALA 2 3HB ALA 2 -9.005 -7.706 9.387 11 HA PRO 3 HA PRO 3 -11.325 -2.522 9.684 12 1HB PRO 3 1HB PRO 3 -10.243 -0.294 10.838 13 2HB PRO 3 2HB PRO 3 -11.258 -1.437 11.714 14 1HG PRO 3 1HG PRO 3 -8.331 -1.075 11.766 15 2HG PRO 3 2HG PRO 3 -9.383 -1.881 12.982 16 1HD PRO 3 1HD PRO 3 -7.646 -3.088 11.051 17 2HD PRO 3 2HD PRO 3 -8.781 -3.924 12.120 18 H THR 4 H THR 4 -11.748 -0.803 8.214 19 HA THR 4 HA THR 4 -11.356 0.152 6.236 20 HB THR 4 HB THR 4 -9.825 1.908 6.439 21 HG1 THR 4 1HG THR 4 -8.147 -0.108 7.762 22 1HG2 THR 4 1HG2 THR 4 -9.521 2.529 8.713 23 2HG2 THR 4 2HG2 THR 4 -10.917 1.426 8.808 24 3HG2 THR 4 3HG2 THR 4 -9.290 0.843 9.235 25 H ALA 5 H ALA 5 -8.733 0.508 4.893 26 HA ALA 5 HA ALA 5 -8.772 -1.997 3.519 27 1HB ALA 5 1HB ALA 5 -6.823 -0.781 2.282 28 2HB ALA 5 2HB ALA 5 -8.469 -0.116 2.146 29 3HB ALA 5 3HB ALA 5 -7.297 0.630 3.260 30 H THR 6 H THR 6 -7.479 -3.751 3.836 31 HA THR 6 HA THR 6 -4.908 -3.403 5.124 32 HB THR 6 HB THR 6 -5.804 -3.860 7.193 33 HG1 THR 6 1HG THR 6 -6.256 -6.247 7.334 34 1HG2 THR 6 1HG2 THR 6 -8.231 -4.965 5.690 35 2HG2 THR 6 2HG2 THR 6 -8.079 -4.973 7.463 36 3HG2 THR 6 3HG2 THR 6 -8.144 -3.429 6.581 37 H VAL 7 H VAL 7 -3.974 -5.829 5.444 38 HA VAL 7 HA VAL 7 -4.525 -7.136 2.871 39 HB VAL 7 HB VAL 7 -2.000 -6.567 4.382 40 1HG1 VAL 7 1HG1 VAL 7 -2.330 -8.781 2.328 41 2HG1 VAL 7 2HG1 VAL 7 -0.791 -8.213 3.016 42 3HG1 VAL 7 3HG1 VAL 7 -1.999 -9.000 4.063 43 1HG2 VAL 7 1HG2 VAL 7 -1.197 -5.901 2.156 44 2HG2 VAL 7 2HG2 VAL 7 -2.752 -6.395 1.442 45 3HG2 VAL 7 3HG2 VAL 7 -2.692 -5.038 2.592 46 H THR 8 H THR 8 -5.254 -9.207 2.941 47 HA THR 8 HA THR 8 -6.256 -10.429 5.088 48 HB THR 8 HB THR 8 -5.049 -11.349 2.488 49 HG1 THR 8 1HG THR 8 -7.259 -11.539 2.199 50 1HG2 THR 8 1HG2 THR 8 -6.198 -13.315 4.526 51 2HG2 THR 8 2HG2 THR 8 -5.486 -13.684 2.937 52 3HG2 THR 8 3HG2 THR 8 -4.445 -13.134 4.272 53 HA PRO 9 HA PRO 9 -2.307 -12.530 6.405 54 1HB PRO 9 1HB PRO 9 -0.043 -12.439 4.883 55 2HB PRO 9 2HB PRO 9 -1.218 -13.748 4.784 56 1HG PRO 9 1HG PRO 9 -0.753 -11.474 2.962 57 2HG PRO 9 2HG PRO 9 -1.594 -13.030 2.625 58 1HD PRO 9 1HD PRO 9 -2.744 -10.444 3.062 59 2HD PRO 9 2HD PRO 9 -3.616 -11.972 2.891 60 H SER 10 H SER 10 0.412 -11.912 6.660 61 HA SER 10 HA SER 10 0.294 -9.065 7.192 62 1HB SER 10 1HB SER 10 -0.113 -10.891 9.217 63 2HB SER 10 2HB SER 10 1.636 -10.626 9.325 64 HG SER 10 HG SER 10 -0.337 -8.508 9.252 65 H SER 11 H SER 11 2.217 -12.128 7.119 66 HA SER 11 HA SER 11 4.698 -10.900 7.106 67 1HB SER 11 1HB SER 11 4.674 -13.197 7.598 68 2HB SER 11 2HB SER 11 3.667 -13.597 6.197 69 HG SER 11 HG SER 11 5.723 -14.242 5.632 70 H GLY 12 H GLY 12 4.185 -9.048 5.597 71 1HA GLY 12 1HA GLY 12 3.572 -9.412 2.889 72 2HA GLY 12 2HA GLY 12 4.346 -8.014 3.608 73 H LEU 13 H LEU 13 6.372 -10.364 4.633 74 HA LEU 13 HA LEU 13 8.253 -9.806 2.541 75 1HB LEU 13 1HB LEU 13 8.637 -11.676 4.857 76 2HB LEU 13 2HB LEU 13 9.859 -10.757 3.958 77 HG LEU 13 HG LEU 13 7.917 -9.004 5.225 78 1HD1 LEU 13 1HD1 LEU 13 9.483 -10.800 7.096 79 2HD1 LEU 13 2HD1 LEU 13 8.443 -9.427 7.546 80 3HD1 LEU 13 3HD1 LEU 13 7.727 -10.887 6.821 81 1HD2 LEU 13 1HD2 LEU 13 9.710 -7.683 5.423 82 2HD2 LEU 13 2HD2 LEU 13 10.690 -8.960 6.181 83 3HD2 LEU 13 3HD2 LEU 13 10.534 -8.892 4.409 84 H SER 14 H SER 14 6.233 -10.988 1.225 85 HA SER 14 HA SER 14 7.267 -13.683 0.825 86 1HB SER 14 1HB SER 14 4.651 -12.940 1.635 87 2HB SER 14 2HB SER 14 4.509 -13.441 -0.061 88 HG SER 14 HG SER 14 5.432 -15.465 0.480 89 H ASP 15 H ASP 15 8.117 -13.934 -1.210 90 HA ASP 15 HA ASP 15 8.475 -12.099 -3.020 91 1HB ASP 15 1HB ASP 15 8.514 -13.883 -4.764 92 2HB ASP 15 2HB ASP 15 9.324 -14.385 -3.271 93 HD2 ASP 15 HD2 ASP 15 6.308 -16.417 -2.671 94 H GLY 16 H GLY 16 6.766 -10.573 -3.388 95 1HA GLY 16 1HA GLY 16 4.731 -9.799 -4.019 96 2HA GLY 16 2HA GLY 16 5.050 -10.786 -5.433 97 H THR 17 H THR 17 3.806 -11.071 -2.029 98 HA THR 17 HA THR 17 2.330 -13.449 -2.685 99 HB THR 17 HB THR 17 3.260 -12.009 -0.345 100 HG1 THR 17 1HG THR 17 1.755 -14.482 -0.834 101 1HG2 THR 17 1HG2 THR 17 0.882 -11.197 -0.147 102 2HG2 THR 17 2HG2 THR 17 0.322 -12.879 -0.302 103 3HG2 THR 17 3HG2 THR 17 1.284 -12.388 1.112 104 H VAL 18 H VAL 18 0.466 -13.524 -3.752 105 HA VAL 18 HA VAL 18 -1.043 -11.077 -4.044 106 HB VAL 18 HB VAL 18 -1.914 -13.712 -5.138 107 1HG1 VAL 18 1HG1 VAL 18 -1.712 -11.034 -6.527 108 2HG1 VAL 18 2HG1 VAL 18 -2.735 -12.429 -6.941 109 3HG1 VAL 18 3HG1 VAL 18 -3.092 -11.466 -5.488 110 1HG2 VAL 18 1HG2 VAL 18 -0.277 -13.049 -7.120 111 2HG2 VAL 18 2HG2 VAL 18 0.662 -12.335 -5.787 112 3HG2 VAL 18 3HG2 VAL 18 0.265 -14.069 -5.767 113 H VAL 19 H VAL 19 -2.506 -10.487 -2.533 114 HA VAL 19 HA VAL 19 -4.142 -12.620 -1.378 115 HB VAL 19 HB VAL 19 -3.980 -11.550 0.815 116 1HG1 VAL 19 1HG1 VAL 19 -2.506 -13.262 0.922 117 2HG1 VAL 19 2HG1 VAL 19 -1.672 -12.781 -0.574 118 3HG1 VAL 19 3HG1 VAL 19 -1.295 -11.960 0.960 119 1HG2 VAL 19 1HG2 VAL 19 -3.406 -9.367 0.774 120 2HG2 VAL 19 2HG2 VAL 19 -1.740 -9.991 0.850 121 3HG2 VAL 19 3HG2 VAL 19 -2.450 -9.537 -0.719 122 H LYS 20 H LYS 20 -5.830 -11.083 0.185 123 HA LYS 20 HA LYS 20 -6.956 -9.250 -1.817 124 1HB LYS 20 1HB LYS 20 -8.122 -11.495 -1.181 125 2HB LYS 20 2HB LYS 20 -8.619 -10.618 0.278 126 1HG LYS 20 1HG LYS 20 -9.569 -8.822 -1.173 127 2HG LYS 20 2HG LYS 20 -9.126 -9.757 -2.611 128 1HD LYS 20 1HD LYS 20 -11.433 -10.220 -2.187 129 2HD LYS 20 2HD LYS 20 -10.554 -11.659 -1.643 130 1HE LYS 20 1HE LYS 20 -10.569 -10.582 0.697 131 2HE LYS 20 2HE LYS 20 -11.746 -9.427 0.055 132 1HZ LYS 20 1HZ LYS 20 -12.877 -11.620 -0.706 133 2HZ LYS 20 2HZ LYS 20 -12.024 -12.275 0.523 134 3HZ LYS 20 3HZ LYS 20 -13.083 -11.066 0.816 135 H VAL 21 H VAL 21 -7.431 -7.165 -1.207 136 HA VAL 21 HA VAL 21 -6.766 -6.519 1.581 137 HB VAL 21 HB VAL 21 -6.373 -5.111 -1.036 138 1HG1 VAL 21 1HG1 VAL 21 -6.335 -3.721 1.664 139 2HG1 VAL 21 2HG1 VAL 21 -5.965 -2.999 0.079 140 3HG1 VAL 21 3HG1 VAL 21 -7.620 -3.544 0.446 141 1HG2 VAL 21 1HG2 VAL 21 -4.292 -5.812 -0.619 142 2HG2 VAL 21 2HG2 VAL 21 -4.245 -4.627 0.709 143 3HG2 VAL 21 3HG2 VAL 21 -4.718 -6.312 1.035 144 H ALA 22 H ALA 22 -8.683 -6.554 2.692 145 HA ALA 22 HA ALA 22 -11.061 -5.529 1.395 146 1HB ALA 22 1HB ALA 22 -12.060 -6.229 3.656 147 2HB ALA 22 2HB ALA 22 -11.379 -7.528 2.648 148 3HB ALA 22 3HB ALA 22 -10.456 -6.900 4.033 149 H GLY 23 H GLY 23 -11.981 -3.541 1.773 150 1HA GLY 23 1HA GLY 23 -10.663 -1.861 3.823 151 2HA GLY 23 2HA GLY 23 -11.124 -1.271 2.239 152 H ALA 24 H ALA 24 -12.446 -2.752 5.260 153 HA ALA 24 HA ALA 24 -15.108 -1.841 4.553 154 1HB ALA 24 1HB ALA 24 -14.570 -4.104 5.594 155 2HB ALA 24 2HB ALA 24 -14.164 -3.228 7.089 156 3HB ALA 24 3HB ALA 24 -15.818 -3.153 6.432 157 H GLY 25 H GLY 25 -15.944 0.084 5.193 158 1HA GLY 25 1HA GLY 25 -16.357 1.804 6.669 159 2HA GLY 25 2HA GLY 25 -14.994 1.314 7.655 160 H LEU 26 H LEU 26 -14.319 1.400 4.239 161 HA LEU 26 HA LEU 26 -12.591 3.675 4.667 162 1HB LEU 26 1HB LEU 26 -12.303 1.364 3.322 163 2HB LEU 26 2HB LEU 26 -12.808 2.430 1.997 164 HG LEU 26 HG LEU 26 -10.626 2.872 1.809 165 1HD1 LEU 26 1HD1 LEU 26 -10.487 4.395 4.356 166 2HD1 LEU 26 2HD1 LEU 26 -10.064 4.880 2.697 167 3HD1 LEU 26 3HD1 LEU 26 -11.768 4.850 3.209 168 1HD2 LEU 26 1HD2 LEU 26 -10.503 1.212 4.129 169 2HD2 LEU 26 2HD2 LEU 26 -9.242 1.542 2.916 170 3HD2 LEU 26 3HD2 LEU 26 -9.388 2.582 4.352 171 H GLN 27 H GLN 27 -12.869 4.310 1.666 172 HA GLN 27 HA GLN 27 -14.775 6.365 2.080 173 1HB GLN 27 1HB GLN 27 -12.609 5.785 0.271 174 2HB GLN 27 2HB GLN 27 -14.040 6.218 -0.681 175 1HG GLN 27 1HG GLN 27 -14.301 8.273 0.710 176 2HG GLN 27 2HG GLN 27 -12.839 7.842 1.611 177 1HE2 GLN 27 1HE2 GLN 27 -13.005 10.239 0.373 178 2HE2 GLN 27 2HE2 GLN 27 -11.957 10.318 -1.004 179 H ALA 28 H ALA 28 -16.780 5.210 2.425 180 HA ALA 28 HA ALA 28 -17.746 3.323 0.574 181 1HB ALA 28 1HB ALA 28 -19.943 3.851 1.777 182 2HB ALA 28 2HB ALA 28 -18.595 3.306 2.805 183 3HB ALA 28 3HB ALA 28 -19.019 5.033 2.735 184 H GLY 29 H GLY 29 -18.313 3.694 -1.506 185 1HA GLY 29 1HA GLY 29 -19.697 4.661 -3.103 186 2HA GLY 29 2HA GLY 29 -19.874 6.096 -2.110 187 H THR 30 H THR 30 -16.806 6.011 -1.586 188 HA THR 30 HA THR 30 -16.132 7.513 -3.995 189 HB THR 30 HB THR 30 -14.059 7.538 -2.002 190 HG1 THR 30 1HG THR 30 -15.915 8.420 -0.395 191 1HG2 THR 30 1HG2 THR 30 -16.291 9.594 -2.135 192 2HG2 THR 30 2HG2 THR 30 -14.553 9.856 -1.856 193 3HG2 THR 30 3HG2 THR 30 -15.142 9.455 -3.486 194 H ALA 31 H ALA 31 -13.507 7.309 -4.346 195 HA ALA 31 HA ALA 31 -12.774 4.506 -4.372 196 1HB ALA 31 1HB ALA 31 -14.177 5.371 -6.517 197 2HB ALA 31 2HB ALA 31 -12.544 5.885 -7.010 198 3HB ALA 31 3HB ALA 31 -12.866 4.172 -6.636 199 H TYR 32 H TYR 32 -10.468 4.216 -4.864 200 HA TYR 32 HA TYR 32 -8.898 6.645 -5.056 201 1HB TYR 32 1HB TYR 32 -7.626 5.311 -2.997 202 2HB TYR 32 2HB TYR 32 -8.796 6.601 -2.706 203 HD1 TYR 32 1HD TYR 32 -9.853 5.979 -0.710 204 HD2 TYR 32 2HD TYR 32 -9.395 3.079 -3.819 205 HE1 TYR 32 1HE TYR 32 -11.305 4.346 0.590 206 HE2 TYR 32 2HE TYR 32 -10.846 1.455 -2.509 207 HH TYR 32 HH TYR 32 -11.348 1.476 0.453 208 H ASP 33 H ASP 33 -6.389 5.602 -4.472 209 HA ASP 33 HA ASP 33 -6.226 3.538 -6.515 210 1HB ASP 33 1HB ASP 33 -3.916 5.211 -5.484 211 2HB ASP 33 2HB ASP 33 -4.034 4.355 -7.030 212 HD2 ASP 33 HD2 ASP 33 -5.458 7.071 -8.570 213 H VAL 34 H VAL 34 -5.784 1.491 -5.686 214 HA VAL 34 HA VAL 34 -4.884 1.236 -2.973 215 HB VAL 34 HB VAL 34 -5.640 -0.689 -5.167 216 1HG1 VAL 34 1HG1 VAL 34 -4.723 -2.423 -4.099 217 2HG1 VAL 34 2HG1 VAL 34 -3.881 -1.260 -3.046 218 3HG1 VAL 34 3HG1 VAL 34 -5.456 -1.928 -2.555 219 1HG2 VAL 34 1HG2 VAL 34 -6.975 -0.335 -2.483 220 2HG2 VAL 34 2HG2 VAL 34 -7.356 0.731 -3.855 221 3HG2 VAL 34 3HG2 VAL 34 -7.635 -1.023 -3.984 222 H GLY 35 H GLY 35 -2.828 0.862 -2.259 223 1HA GLY 35 1HA GLY 35 -0.829 -0.436 -3.738 224 2HA GLY 35 2HA GLY 35 -0.640 1.291 -3.967 225 H GLN 36 H GLN 36 1.332 -0.245 -2.643 226 HA GLN 36 HA GLN 36 0.867 0.276 0.167 227 1HB GLN 36 1HB GLN 36 3.429 -0.925 -0.810 228 2HB GLN 36 2HB GLN 36 2.467 -1.335 0.623 229 1HG GLN 36 1HG GLN 36 1.393 -2.972 -0.498 230 2HG GLN 36 2HG GLN 36 0.962 -1.876 -1.820 231 1HE2 GLN 36 1HE2 GLN 36 3.050 -1.190 -3.104 232 2HE2 GLN 36 2HE2 GLN 36 4.027 -2.505 -3.670 233 H CYS 37 H CYS 37 1.222 2.428 0.640 234 HA CYS 37 HA CYS 37 3.639 3.619 -0.500 235 1HB CYS 37 1HB CYS 37 1.332 4.643 -0.899 236 2HB CYS 37 2HB CYS 37 1.380 5.136 0.796 237 H ALA 38 H ALA 38 4.977 4.937 1.007 238 HA ALA 38 HA ALA 38 4.548 5.176 3.708 239 1HB ALA 38 1HB ALA 38 6.169 3.323 4.488 240 2HB ALA 38 2HB ALA 38 4.515 2.831 4.044 241 3HB ALA 38 3HB ALA 38 5.859 2.564 2.907 242 H TRP 39 H TRP 39 6.772 5.562 4.889 243 HA TRP 39 HA TRP 39 8.252 7.298 3.174 244 1HB TRP 39 1HB TRP 39 9.407 7.960 5.130 245 2HB TRP 39 2HB TRP 39 7.696 7.806 5.534 246 HD1 TRP 39 HD TRP 39 7.045 5.611 7.113 247 HE1 TRP 39 1HE TRP 39 8.397 4.219 8.901 248 HE3 TRP 39 3HE TRP 39 11.652 7.165 5.617 249 HZ2 TRP 39 2HZ TRP 39 11.176 3.930 9.478 250 HZ3 TRP 39 3HZ TRP 39 13.631 6.280 6.845 251 HH2 TRP 39 HH TRP 39 13.448 4.715 8.717 252 H VAL 40 H VAL 40 9.756 6.516 1.760 253 HA VAL 40 HA VAL 40 11.143 4.049 2.514 254 HB VAL 40 HB VAL 40 9.771 4.543 0.295 255 1HG1 VAL 40 1HG1 VAL 40 10.985 6.468 -0.464 256 2HG1 VAL 40 2HG1 VAL 40 12.543 5.624 -0.298 257 3HG1 VAL 40 3HG1 VAL 40 11.385 5.115 -1.549 258 1HG2 VAL 40 1HG2 VAL 40 10.757 2.401 0.809 259 2HG2 VAL 40 2HG2 VAL 40 11.205 2.848 -0.855 260 3HG2 VAL 40 3HG2 VAL 40 12.390 3.018 0.462 261 H ASP 41 H ASP 41 11.683 7.353 1.113 262 HA ASP 41 HA ASP 41 14.490 7.046 1.640 263 1HB ASP 41 1HB ASP 41 14.087 8.150 -0.400 264 2HB ASP 41 2HB ASP 41 12.747 9.101 0.259 265 HD2 ASP 41 HD2 ASP 41 14.930 11.546 1.465 266 H THR 42 H THR 42 15.558 9.180 2.676 267 HA THR 42 HA THR 42 15.087 9.402 5.266 268 HB THR 42 HB THR 42 15.696 11.727 3.361 269 HG1 THR 42 1HG THR 42 17.299 9.742 4.817 270 1HG2 THR 42 1HG2 THR 42 15.317 12.210 5.918 271 2HG2 THR 42 2HG2 THR 42 16.805 11.263 6.161 272 3HG2 THR 42 3HG2 THR 42 16.847 12.753 5.187 273 H GLY 43 H GLY 43 13.052 9.193 6.110 274 1HA GLY 43 1HA GLY 43 10.888 9.715 6.545 275 2HA GLY 43 2HA GLY 43 11.561 11.315 6.793 276 H VAL 44 H VAL 44 11.679 9.778 3.587 277 HA VAL 44 HA VAL 44 9.825 11.838 2.651 278 HB VAL 44 HB VAL 44 12.163 10.384 1.530 279 1HG1 VAL 44 1HG1 VAL 44 10.908 9.694 -0.244 280 2HG1 VAL 44 2HG1 VAL 44 9.663 10.943 0.003 281 3HG1 VAL 44 3HG1 VAL 44 11.205 11.367 -0.779 282 1HG2 VAL 44 1HG2 VAL 44 11.949 12.856 2.401 283 2HG2 VAL 44 2HG2 VAL 44 12.910 12.494 0.946 284 3HG2 VAL 44 3HG2 VAL 44 11.264 13.152 0.786 285 H LEU 45 H LEU 45 7.752 11.258 2.278 286 HA LEU 45 HA LEU 45 6.975 8.544 2.390 287 1HB LEU 45 1HB LEU 45 5.787 10.951 2.795 288 2HB LEU 45 2HB LEU 45 5.093 10.483 1.234 289 HG LEU 45 HG LEU 45 5.089 8.519 3.499 290 1HD1 LEU 45 1HD1 LEU 45 4.196 10.959 4.104 291 2HD1 LEU 45 2HD1 LEU 45 2.743 10.338 3.285 292 3HD1 LEU 45 3HD1 LEU 45 3.410 9.474 4.690 293 1HD2 LEU 45 1HD2 LEU 45 3.444 7.451 2.338 294 2HD2 LEU 45 2HD2 LEU 45 2.809 8.954 1.626 295 3HD2 LEU 45 3HD2 LEU 45 4.300 8.225 0.982 296 H ALA 46 H ALA 46 7.509 7.106 0.827 297 HA ALA 46 HA ALA 46 7.143 8.013 -1.947 298 1HB ALA 46 1HB ALA 46 9.128 5.923 -0.977 299 2HB ALA 46 2HB ALA 46 9.031 6.678 -2.587 300 3HB ALA 46 3HB ALA 46 9.545 7.642 -1.182 301 H CYS 47 H CYS 47 5.921 6.689 -3.285 302 HA CYS 47 HA CYS 47 4.625 4.477 -1.899 303 1HB CYS 47 1HB CYS 47 3.798 5.837 -4.463 304 2HB CYS 47 2HB CYS 47 2.864 4.659 -3.536 305 H ASN 48 H ASN 48 4.329 2.420 -3.124 306 HA ASN 48 HA ASN 48 6.719 1.741 -4.452 307 1HB ASN 48 1HB ASN 48 4.096 0.197 -4.164 308 2HB ASN 48 2HB ASN 48 5.635 -0.514 -4.672 309 1HD2 ASN 48 1HD2 ASN 48 6.414 1.879 -2.591 310 2HD2 ASN 48 2HD2 ASN 48 6.494 1.024 -1.088 311 HA PRO 49 HA PRO 49 5.300 2.169 -8.580 312 1HB PRO 49 1HB PRO 49 6.526 0.115 -9.900 313 2HB PRO 49 2HB PRO 49 7.352 1.611 -9.468 314 1HG PRO 49 1HG PRO 49 7.497 -1.061 -8.226 315 2HG PRO 49 2HG PRO 49 8.669 0.300 -8.102 316 1HD PRO 49 1HD PRO 49 6.770 -0.601 -6.155 317 2HD PRO 49 2HD PRO 49 7.790 0.841 -6.048 318 H ALA 50 H ALA 50 4.490 -0.615 -6.852 319 HA ALA 50 HA ALA 50 2.501 -1.286 -8.902 320 1HB ALA 50 1HB ALA 50 2.485 -3.495 -7.970 321 2HB ALA 50 2HB ALA 50 4.194 -3.026 -8.131 322 3HB ALA 50 3HB ALA 50 3.402 -2.970 -6.538 323 H ASP 51 H ASP 51 2.596 0.936 -6.719 324 HA ASP 51 HA ASP 51 0.494 0.060 -4.984 325 1HB ASP 51 1HB ASP 51 1.634 1.553 -3.719 326 2HB ASP 51 2HB ASP 51 2.418 2.278 -5.133 327 HD2 ASP 51 HD2 ASP 51 -0.438 4.220 -3.354 328 H PHE 52 H PHE 52 0.556 0.834 -8.163 329 HA PHE 52 HA PHE 52 -1.654 2.729 -8.117 330 1HB PHE 52 1HB PHE 52 -0.295 1.428 -10.522 331 2HB PHE 52 2HB PHE 52 -1.054 3.021 -10.453 332 HD1 PHE 52 1HD PHE 52 1.901 1.778 -11.136 333 HD2 PHE 52 2HD PHE 52 0.206 4.227 -8.115 334 HE1 PHE 52 1HE PHE 52 4.147 2.816 -10.718 335 HE2 PHE 52 2HE PHE 52 2.453 5.267 -7.697 336 HZ PHE 52 HZ PHE 52 4.398 4.550 -9.005 337 H SER 53 H SER 53 -3.340 1.329 -7.322 338 HA SER 53 HA SER 53 -4.249 -0.476 -9.403 339 1HB SER 53 1HB SER 53 -3.173 -1.879 -7.699 340 2HB SER 53 2HB SER 53 -4.156 -1.136 -6.426 341 HG SER 53 HG SER 53 -5.957 -1.969 -8.121 342 H SER 54 H SER 54 -5.579 1.525 -9.834 343 HA SER 54 HA SER 54 -7.169 2.803 -8.126 344 1HB SER 54 1HB SER 54 -8.566 3.379 -9.986 345 2HB SER 54 2HB SER 54 -6.929 3.163 -10.636 346 HG SER 54 HG SER 54 -7.653 0.909 -11.166 347 H VAL 55 H VAL 55 -8.882 2.311 -6.789 348 HA VAL 55 HA VAL 55 -10.594 0.079 -7.484 349 HB VAL 55 HB VAL 55 -8.617 0.085 -5.269 350 1HG1 VAL 55 1HG1 VAL 55 -9.980 -1.266 -3.795 351 2HG1 VAL 55 2HG1 VAL 55 -10.809 0.281 -4.094 352 3HG1 VAL 55 3HG1 VAL 55 -11.349 -1.196 -4.930 353 1HG2 VAL 55 1HG2 VAL 55 -9.797 -2.450 -6.146 354 2HG2 VAL 55 2HG2 VAL 55 -9.124 -1.492 -7.487 355 3HG2 VAL 55 3HG2 VAL 55 -8.095 -1.932 -6.101 356 H THR 56 H THR 56 -12.517 0.003 -5.921 357 HA THR 56 HA THR 56 -12.995 2.637 -4.720 358 HB THR 56 HB THR 56 -13.967 2.022 -7.204 359 HG1 THR 56 1HG THR 56 -15.447 3.721 -6.600 360 1HG2 THR 56 1HG2 THR 56 -15.328 0.085 -6.210 361 2HG2 THR 56 2HG2 THR 56 -16.195 1.297 -5.237 362 3HG2 THR 56 3HG2 THR 56 -16.301 1.339 -7.014 363 H ALA 57 H ALA 57 -14.831 2.634 -3.173 364 HA ALA 57 HA ALA 57 -14.901 0.027 -1.830 365 1HB ALA 57 1HB ALA 57 -14.339 2.694 -0.955 366 2HB ALA 57 2HB ALA 57 -15.859 2.177 -0.187 367 3HB ALA 57 3HB ALA 57 -14.386 1.201 0.012 368 H ASP 58 H ASP 58 -16.867 -0.953 -1.348 369 HA ASP 58 HA ASP 58 -19.016 -0.218 -2.955 370 1HB ASP 58 1HB ASP 58 -19.411 -1.886 -0.480 371 2HB ASP 58 2HB ASP 58 -20.063 -2.141 -2.106 372 HD2 ASP 58 HD2 ASP 58 -17.417 -4.563 -1.362 373 H ALA 59 H ALA 59 -21.240 0.424 -2.152 374 HA ALA 59 HA ALA 59 -21.366 2.691 -0.754 375 1HB ALA 59 1HB ALA 59 -23.527 2.393 -1.279 376 2HB ALA 59 2HB ALA 59 -23.179 0.696 -1.691 377 3HB ALA 59 3HB ALA 59 -23.673 1.128 -0.037 378 H ASN 60 H ASN 60 -20.987 -0.590 0.571 379 HA ASN 60 HA ASN 60 -21.438 0.365 3.234 380 1HB ASN 60 1HB ASN 60 -21.800 -2.070 2.056 381 2HB ASN 60 2HB ASN 60 -20.195 -2.329 2.755 382 1HD2 ASN 60 1HD2 ASN 60 -20.440 -3.477 4.516 383 2HD2 ASN 60 2HD2 ASN 60 -21.560 -3.189 5.807 384 H GLY 61 H GLY 61 -19.265 1.643 1.747 385 1HA GLY 61 1HA GLY 61 -17.017 1.984 1.735 386 2HA GLY 61 2HA GLY 61 -17.244 1.896 3.471 387 H SER 62 H SER 62 -17.536 -0.738 1.004 388 HA SER 62 HA SER 62 -15.408 -2.091 2.469 389 1HB SER 62 1HB SER 62 -17.790 -3.200 0.941 390 2HB SER 62 2HB SER 62 -16.468 -4.215 1.544 391 HG SER 62 HG SER 62 -17.882 -2.433 3.304 392 H ALA 63 H ALA 63 -13.514 -1.862 1.320 393 HA ALA 63 HA ALA 63 -13.709 -2.022 -1.606 394 1HB ALA 63 1HB ALA 63 -11.463 -0.891 -1.520 395 2HB ALA 63 2HB ALA 63 -12.783 0.078 -0.823 396 3HB ALA 63 3HB ALA 63 -11.643 -0.771 0.246 397 H SER 64 H SER 64 -13.772 -4.317 -1.763 398 HA SER 64 HA SER 64 -11.578 -5.720 -0.516 399 1HB SER 64 1HB SER 64 -12.799 -7.743 -1.550 400 2HB SER 64 2HB SER 64 -13.632 -6.877 -0.247 401 HG SER 64 HG SER 64 -15.102 -6.081 -1.666 402 H THR 65 H THR 65 -9.896 -4.710 -1.890 403 HA THR 65 HA THR 65 -9.957 -5.698 -4.665 404 HB THR 65 HB THR 65 -9.909 -3.200 -4.327 405 HG1 THR 65 1HG THR 65 -8.769 -4.370 -6.103 406 1HG2 THR 65 1HG2 THR 65 -8.520 -2.295 -2.756 407 2HG2 THR 65 2HG2 THR 65 -7.869 -3.908 -2.378 408 3HG2 THR 65 3HG2 THR 65 -7.129 -2.929 -3.666 409 H SER 66 H SER 66 -8.360 -7.002 -5.445 410 HA SER 66 HA SER 66 -6.669 -8.117 -3.405 411 1HB SER 66 1HB SER 66 -6.205 -9.874 -5.026 412 2HB SER 66 2HB SER 66 -7.953 -9.578 -4.980 413 HG SER 66 HG SER 66 -7.371 -8.024 -6.872 414 H LEU 67 H LEU 67 -4.380 -8.019 -3.409 415 HA LEU 67 HA LEU 67 -3.111 -6.639 -5.630 416 1HB LEU 67 1HB LEU 67 -3.713 -5.415 -3.104 417 2HB LEU 67 2HB LEU 67 -1.957 -5.525 -3.326 418 HG LEU 67 HG LEU 67 -4.002 -4.067 -4.992 419 1HD1 LEU 67 1HD1 LEU 67 -2.733 -2.129 -4.515 420 2HD1 LEU 67 2HD1 LEU 67 -2.891 -3.009 -2.976 421 3HD1 LEU 67 3HD1 LEU 67 -1.364 -3.083 -3.891 422 1HD2 LEU 67 1HD2 LEU 67 -1.929 -3.526 -6.471 423 2HD2 LEU 67 2HD2 LEU 67 -1.299 -5.065 -5.835 424 3HD2 LEU 67 3HD2 LEU 67 -2.835 -5.037 -6.736 425 H THR 68 H THR 68 -0.639 -6.757 -5.367 426 HA THR 68 HA THR 68 -0.019 -9.375 -4.176 427 HB THR 68 HB THR 68 0.171 -8.885 -6.738 428 HG1 THR 68 1HG THR 68 2.121 -10.205 -6.642 429 1HG2 THR 68 1HG2 THR 68 1.636 -6.680 -5.961 430 2HG2 THR 68 2HG2 THR 68 2.930 -7.890 -6.143 431 3HG2 THR 68 3HG2 THR 68 1.863 -7.511 -7.517 432 H VAL 69 H VAL 69 1.521 -9.608 -2.634 433 HA VAL 69 HA VAL 69 2.544 -7.126 -1.533 434 HB VAL 69 HB VAL 69 2.392 -9.982 -0.585 435 1HG1 VAL 69 1HG1 VAL 69 3.979 -9.681 0.959 436 2HG1 VAL 69 2HG1 VAL 69 4.446 -8.199 0.087 437 3HG1 VAL 69 3HG1 VAL 69 3.298 -8.108 1.445 438 1HG2 VAL 69 1HG2 VAL 69 1.347 -7.908 1.170 439 2HG2 VAL 69 2HG2 VAL 69 0.609 -7.830 -0.448 440 3HG2 VAL 69 3HG2 VAL 69 0.538 -9.341 0.490 441 H ARG 70 H ARG 70 4.057 -6.596 -3.240 442 HA ARG 70 HA ARG 70 6.248 -8.486 -3.439 443 1HB ARG 70 1HB ARG 70 5.082 -6.391 -5.223 444 2HB ARG 70 2HB ARG 70 6.844 -6.564 -5.303 445 1HG ARG 70 1HG ARG 70 6.508 -9.037 -5.664 446 2HG ARG 70 2HG ARG 70 4.760 -8.753 -5.742 447 1HD ARG 70 1HD ARG 70 5.551 -6.923 -7.559 448 2HD ARG 70 2HD ARG 70 6.918 -8.034 -7.713 449 HE ARG 70 HE ARG 70 4.111 -8.549 -8.457 450 1HH1 ARG 70 1HH1 ARG 70 7.282 -9.940 -7.834 451 2HH1 ARG 70 2HH1 ARG 70 6.959 -11.395 -8.718 452 1HH2 ARG 70 1HH2 ARG 70 3.684 -10.468 -9.623 453 2HH2 ARG 70 2HH2 ARG 70 4.900 -11.696 -9.743 454 H ARG 71 H ARG 71 6.750 -7.659 -1.111 455 HA ARG 71 HA ARG 71 7.346 -5.234 -0.341 456 1HB ARG 71 1HB ARG 71 8.012 -7.787 0.510 457 2HB ARG 71 2HB ARG 71 9.610 -7.064 0.254 458 1HG ARG 71 1HG ARG 71 9.331 -6.217 2.342 459 2HG ARG 71 2HG ARG 71 8.261 -5.033 1.569 460 1HD ARG 71 1HD ARG 71 7.447 -7.677 2.853 461 2HD ARG 71 2HD ARG 71 7.123 -6.062 3.497 462 HE ARG 71 HE ARG 71 5.804 -7.343 1.163 463 1HH1 ARG 71 1HH1 ARG 71 6.155 -4.515 3.227 464 2HH1 ARG 71 2HH1 ARG 71 4.673 -3.788 2.702 465 1HH2 ARG 71 1HH2 ARG 71 3.848 -6.385 0.470 466 2HH2 ARG 71 2HH2 ARG 71 3.353 -4.859 1.122 467 H SER 72 H SER 72 9.114 -7.097 -2.793 468 HA SER 72 HA SER 72 11.258 -5.179 -2.818 469 1HB SER 72 1HB SER 72 12.058 -6.675 -4.753 470 2HB SER 72 2HB SER 72 12.012 -7.409 -3.140 471 HG SER 72 HG SER 72 10.568 -8.821 -3.844 472 H PHE 73 H PHE 73 11.184 -3.353 -4.077 473 HA PHE 73 HA PHE 73 10.312 -3.365 -6.721 474 1HB PHE 73 1HB PHE 73 8.314 -1.702 -6.072 475 2HB PHE 73 2HB PHE 73 8.029 -3.445 -6.039 476 HD1 PHE 73 1HD PHE 73 6.428 -3.718 -4.371 477 HD2 PHE 73 2HD PHE 73 9.832 -1.313 -3.577 478 HE1 PHE 73 1HE PHE 73 5.742 -3.543 -1.962 479 HE2 PHE 73 2HE PHE 73 9.148 -1.138 -1.169 480 HZ PHE 73 HZ PHE 73 7.112 -2.256 -0.389 481 H GLU 74 H GLU 74 10.050 -0.978 -7.547 482 HA GLU 74 HA GLU 74 12.135 0.498 -6.199 483 1HB GLU 74 1HB GLU 74 12.177 -0.011 -8.690 484 2HB GLU 74 2HB GLU 74 10.833 1.127 -8.879 485 1HG GLU 74 1HG GLU 74 12.329 2.834 -7.658 486 2HG GLU 74 2HG GLU 74 13.662 1.697 -7.906 487 HE2 GLU 74 HE2 GLU 74 13.520 2.212 -11.415 488 H GLY 75 H GLY 75 11.385 1.797 -4.564 489 1HA GLY 75 1HA GLY 75 8.756 2.814 -4.441 490 2HA GLY 75 2HA GLY 75 10.125 3.294 -3.456 491 H PHE 76 H PHE 76 8.170 5.157 -4.366 492 HA PHE 76 HA PHE 76 9.865 6.786 -6.108 493 1HB PHE 76 1HB PHE 76 7.763 5.560 -7.156 494 2HB PHE 76 2HB PHE 76 6.805 6.705 -6.207 495 HD1 PHE 76 1HD PHE 76 6.928 9.121 -6.729 496 HD2 PHE 76 2HD PHE 76 8.891 6.229 -9.137 497 HE1 PHE 76 1HE PHE 76 7.149 10.807 -8.574 498 HE2 PHE 76 2HE PHE 76 9.112 7.916 -10.981 499 HZ PHE 76 HZ PHE 76 8.240 10.185 -10.679 500 H LEU 77 H LEU 77 10.379 8.644 -5.063 501 HA LEU 77 HA LEU 77 9.276 9.372 -2.634 502 1HB LEU 77 1HB LEU 77 10.619 11.186 -4.626 503 2HB LEU 77 2HB LEU 77 10.515 11.407 -2.870 504 HG LEU 77 HG LEU 77 11.749 8.919 -3.215 505 1HD1 LEU 77 1HD1 LEU 77 12.822 10.916 -5.225 506 2HD1 LEU 77 2HD1 LEU 77 13.683 9.454 -4.685 507 3HD1 LEU 77 3HD1 LEU 77 12.137 9.307 -5.557 508 1HD2 LEU 77 1HD2 LEU 77 13.841 10.486 -2.635 509 2HD2 LEU 77 2HD2 LEU 77 12.529 11.645 -2.313 510 3HD2 LEU 77 3HD2 LEU 77 12.574 10.085 -1.453 511 H PHE 78 H PHE 78 7.598 10.691 -1.975 512 HA PHE 78 HA PHE 78 5.436 10.966 -3.701 513 1HB PHE 78 1HB PHE 78 4.964 10.973 -1.376 514 2HB PHE 78 2HB PHE 78 6.361 11.984 -0.997 515 HD1 PHE 78 1HD PHE 78 3.202 12.279 -2.980 516 HD2 PHE 78 2HD PHE 78 5.856 14.075 -0.198 517 HE1 PHE 78 1HE PHE 78 1.694 14.281 -2.834 518 HE2 PHE 78 2HE PHE 78 4.349 16.077 -0.053 519 HZ PHE 78 HZ PHE 78 2.286 16.157 -1.371 520 H ASP 79 H ASP 79 8.249 13.020 -3.119 521 HA ASP 79 HA ASP 79 7.237 15.461 -3.764 522 1HB ASP 79 1HB ASP 79 9.683 14.515 -3.155 523 2HB ASP 79 2HB ASP 79 9.910 14.672 -4.903 524 HD2 ASP 79 HD2 ASP 79 9.110 18.261 -4.195 525 H GLY 80 H GLY 80 8.671 12.885 -5.901 526 1HA GLY 80 1HA GLY 80 7.006 12.928 -7.996 527 2HA GLY 80 2HA GLY 80 7.978 14.351 -8.310 528 H THR 81 H THR 81 10.347 13.034 -6.817 529 HA THR 81 HA THR 81 11.383 11.686 -9.160 530 HB THR 81 HB THR 81 12.588 12.472 -6.453 531 HG1 THR 81 1HG THR 81 12.746 14.384 -7.559 532 1HG2 THR 81 1HG2 THR 81 13.825 11.449 -9.059 533 2HG2 THR 81 2HG2 THR 81 14.754 12.333 -7.824 534 3HG2 THR 81 3HG2 THR 81 14.024 10.757 -7.431 535 H ARG 82 H ARG 82 12.603 9.617 -8.954 536 HA ARG 82 HA ARG 82 10.971 7.841 -7.353 537 1HB ARG 82 1HB ARG 82 11.747 6.064 -8.846 538 2HB ARG 82 2HB ARG 82 11.185 7.424 -9.831 539 1HG ARG 82 1HG ARG 82 13.686 8.185 -9.778 540 2HG ARG 82 2HG ARG 82 14.029 6.524 -9.265 541 1HD ARG 82 1HD ARG 82 12.905 5.668 -11.298 542 2HD ARG 82 2HD ARG 82 12.522 7.319 -11.805 543 HE ARG 82 HE ARG 82 15.361 6.998 -11.319 544 1HH1 ARG 82 1HH1 ARG 82 12.837 6.307 -13.673 545 2HH1 ARG 82 2HH1 ARG 82 13.925 6.272 -15.019 546 1HH2 ARG 82 1HH2 ARG 82 16.796 6.950 -13.097 547 2HH2 ARG 82 2HH2 ARG 82 16.192 6.642 -14.689 548 H TRP 83 H TRP 83 11.924 6.325 -5.875 549 HA TRP 83 HA TRP 83 14.705 6.969 -5.193 550 1HB TRP 83 1HB TRP 83 13.080 7.443 -3.457 551 2HB TRP 83 2HB TRP 83 12.485 5.782 -3.518 552 HD1 TRP 83 HD TRP 83 13.449 4.415 -1.522 553 HE1 TRP 83 1HE TRP 83 15.655 4.289 -0.080 554 HE3 TRP 83 3HE TRP 83 15.883 8.154 -3.962 555 HZ2 TRP 83 2HZ TRP 83 18.116 5.735 -0.118 556 HZ3 TRP 83 3HZ TRP 83 18.185 8.734 -3.196 557 HH2 TRP 83 HH TRP 83 19.300 7.593 -1.345 558 H GLY 84 H GLY 84 12.804 4.076 -4.259 559 1HA GLY 84 1HA GLY 84 13.151 2.141 -5.935 560 2HA GLY 84 2HA GLY 84 14.843 2.409 -5.569 561 H THR 85 H THR 85 15.731 1.695 -3.603 562 HA THR 85 HA THR 85 15.791 0.782 -1.550 563 HB THR 85 HB THR 85 12.732 0.878 -1.679 564 HG1 THR 85 1HG THR 85 14.627 2.775 -1.604 565 1HG2 THR 85 1HG2 THR 85 14.552 -0.280 0.264 566 2HG2 THR 85 2HG2 THR 85 13.832 1.193 0.959 567 3HG2 THR 85 3HG2 THR 85 12.781 -0.120 0.375 568 H VAL 86 H VAL 86 13.182 -0.616 -3.635 569 HA VAL 86 HA VAL 86 12.968 -2.658 -4.468 570 HB VAL 86 HB VAL 86 15.735 -3.134 -3.342 571 1HG1 VAL 86 1HG1 VAL 86 15.375 -5.289 -3.816 572 2HG1 VAL 86 2HG1 VAL 86 13.820 -4.930 -4.606 573 3HG1 VAL 86 3HG1 VAL 86 15.334 -4.818 -5.533 574 1HG2 VAL 86 1HG2 VAL 86 15.292 -2.840 -6.263 575 2HG2 VAL 86 2HG2 VAL 86 15.092 -1.363 -5.288 576 3HG2 VAL 86 3HG2 VAL 86 16.626 -2.262 -5.235 577 H ASP 87 H ASP 87 14.944 -4.293 -2.099 578 HA ASP 87 HA ASP 87 12.787 -5.690 -1.108 579 1HB ASP 87 1HB ASP 87 15.537 -5.849 -0.945 580 2HB ASP 87 2HB ASP 87 15.120 -5.404 0.718 581 HD2 ASP 87 HD2 ASP 87 14.632 -9.088 -0.452 582 H CYS 88 H CYS 88 11.123 -4.603 -0.004 583 HA CYS 88 HA CYS 88 11.799 -2.398 1.720 584 1HB CYS 88 1HB CYS 88 9.897 -1.986 0.466 585 2HB CYS 88 2HB CYS 88 9.240 -3.606 0.718 586 H THR 89 H THR 89 13.182 -4.166 2.966 587 HA THR 89 HA THR 89 11.452 -5.628 4.840 588 HB THR 89 HB THR 89 13.313 -6.744 3.373 589 HG1 THR 89 1HG THR 89 13.471 -6.840 6.299 590 1HG2 THR 89 1HG2 THR 89 15.179 -5.191 3.790 591 2HG2 THR 89 2HG2 THR 89 14.956 -5.350 5.549 592 3HG2 THR 89 3HG2 THR 89 15.539 -6.737 4.594 593 H THR 90 H THR 90 13.577 -2.875 4.504 594 HA THR 90 HA THR 90 14.008 -2.728 7.379 595 HB THR 90 HB THR 90 14.957 -1.178 4.926 596 HG1 THR 90 1HG THR 90 16.134 -3.087 5.395 597 1HG2 THR 90 1HG2 THR 90 14.612 0.015 7.433 598 2HG2 THR 90 2HG2 THR 90 16.267 -0.632 7.531 599 3HG2 THR 90 3HG2 THR 90 15.829 0.503 6.230 600 H ALA 91 H ALA 91 12.305 -0.916 4.758 601 HA ALA 91 HA ALA 91 11.078 0.757 6.791 602 1HB ALA 91 1HB ALA 91 11.107 2.257 5.122 603 2HB ALA 91 2HB ALA 91 11.848 1.037 4.057 604 3HB ALA 91 3HB ALA 91 10.076 1.200 4.128 605 H ALA 92 H ALA 92 8.842 0.777 7.249 606 HA ALA 92 HA ALA 92 7.529 -1.735 6.604 607 1HB ALA 92 1HB ALA 92 6.024 0.119 8.269 608 2HB ALA 92 2HB ALA 92 6.654 -1.498 8.663 609 3HB ALA 92 3HB ALA 92 7.689 -0.065 8.868 610 H CYS 93 H CYS 93 6.736 -1.643 4.513 611 HA CYS 93 HA CYS 93 5.580 0.751 3.512 612 1HB CYS 93 1HB CYS 93 5.370 -2.028 2.359 613 2HB CYS 93 2HB CYS 93 5.141 -0.494 1.515 614 H GLN 94 H GLN 94 3.399 1.337 3.514 615 HA GLN 94 HA GLN 94 1.656 -0.512 4.926 616 1HB GLN 94 1HB GLN 94 1.558 2.490 4.493 617 2HB GLN 94 2HB GLN 94 0.196 1.588 5.181 618 1HG GLN 94 1HG GLN 94 1.275 1.239 7.173 619 2HG GLN 94 2HG GLN 94 2.864 1.060 6.416 620 1HE2 GLN 94 1HE2 GLN 94 0.552 3.171 7.857 621 2HE2 GLN 94 2HE2 GLN 94 1.499 4.620 7.894 622 H VAL 95 H VAL 95 0.206 -1.669 3.739 623 HA VAL 95 HA VAL 95 -0.273 -0.844 1.003 624 HB VAL 95 HB VAL 95 -1.418 -3.260 2.379 625 1HG1 VAL 95 1HG1 VAL 95 -0.482 -3.863 -0.201 626 2HG1 VAL 95 2HG1 VAL 95 -2.171 -3.628 0.309 627 3HG1 VAL 95 3HG1 VAL 95 -1.236 -2.257 -0.338 628 1HG2 VAL 95 1HG2 VAL 95 1.437 -2.826 1.478 629 2HG2 VAL 95 2HG2 VAL 95 0.837 -3.464 3.028 630 3HG2 VAL 95 3HG2 VAL 95 0.704 -4.446 1.548 631 H GLY 96 H GLY 96 -1.852 0.613 0.598 632 1HA GLY 96 1HA GLY 96 -4.494 0.159 1.669 633 2HA GLY 96 2HA GLY 96 -3.715 1.601 2.290 634 H LEU 97 H LEU 97 -5.922 2.189 0.940 635 HA LEU 97 HA LEU 97 -5.079 2.766 -1.808 636 1HB LEU 97 1HB LEU 97 -7.816 3.336 -1.414 637 2HB LEU 97 2HB LEU 97 -7.073 2.079 -2.421 638 HG LEU 97 HG LEU 97 -6.992 0.724 -0.192 639 1HD1 LEU 97 1HD1 LEU 97 -7.707 1.872 1.587 640 2HD1 LEU 97 2HD1 LEU 97 -8.527 3.097 0.588 641 3HD1 LEU 97 3HD1 LEU 97 -9.342 1.561 0.956 642 1HD2 LEU 97 1HD2 LEU 97 -8.828 0.915 -2.330 643 2HD2 LEU 97 2HD2 LEU 97 -8.519 -0.475 -1.260 644 3HD2 LEU 97 3HD2 LEU 97 -9.787 0.704 -0.845 645 H SER 98 H SER 98 -4.761 4.853 -2.458 646 HA SER 98 HA SER 98 -5.241 6.846 -0.396 647 1HB SER 98 1HB SER 98 -2.933 6.775 -0.985 648 2HB SER 98 2HB SER 98 -3.289 6.711 -2.721 649 HG SER 98 HG SER 98 -3.979 8.955 -1.031 650 H ASP 99 H ASP 99 -6.389 8.788 -0.899 651 HA ASP 99 HA ASP 99 -8.267 8.483 -2.972 652 1HB ASP 99 1HB ASP 99 -7.844 11.167 -1.725 653 2HB ASP 99 2HB ASP 99 -9.352 10.273 -1.973 654 HD2 ASP 99 HD2 ASP 99 -7.285 9.300 1.292 655 H ALA 100 H ALA 100 -8.624 10.252 -4.687 656 HA ALA 100 HA ALA 100 -6.060 10.954 -5.849 657 1HB ALA 100 1HB ALA 100 -8.768 11.518 -7.061 658 2HB ALA 100 2HB ALA 100 -7.230 11.122 -7.867 659 3HB ALA 100 3HB ALA 100 -8.136 9.854 -7.011 660 H ALA 101 H ALA 101 -7.953 12.278 -3.504 661 HA ALA 101 HA ALA 101 -7.827 15.000 -4.548 662 1HB ALA 101 1HB ALA 101 -9.524 13.509 -2.724 663 2HB ALA 101 2HB ALA 101 -8.876 14.959 -1.923 664 3HB ALA 101 3HB ALA 101 -9.784 15.116 -3.447 665 H GLY 102 H GLY 102 -6.085 12.721 -2.587 666 1HA GLY 102 1HA GLY 102 -3.975 13.032 -1.745 667 2HA GLY 102 2HA GLY 102 -4.132 14.767 -1.933 668 H ASN 103 H ASN 103 -6.112 12.265 -0.181 669 HA ASN 103 HA ASN 103 -5.948 14.022 2.131 670 1HB ASN 103 1HB ASN 103 -7.868 11.692 1.683 671 2HB ASN 103 2HB ASN 103 -8.018 12.969 2.900 672 1HD2 ASN 103 1HD2 ASN 103 -8.102 15.218 2.021 673 2HD2 ASN 103 2HD2 ASN 103 -9.057 15.508 0.606 674 H GLY 104 H GLY 104 -5.461 13.020 4.243 675 1HA GLY 104 1HA GLY 104 -3.405 11.357 4.494 676 2HA GLY 104 2HA GLY 104 -4.715 11.399 5.657 677 HA PRO 105 HA PRO 105 -5.191 7.663 2.733 678 1HB PRO 105 1HB PRO 105 -2.859 6.641 1.751 679 2HB PRO 105 2HB PRO 105 -3.919 7.690 0.814 680 1HG PRO 105 1HG PRO 105 -1.363 8.290 2.160 681 2HG PRO 105 2HG PRO 105 -2.176 9.201 0.837 682 1HD PRO 105 1HD PRO 105 -2.016 9.865 3.617 683 2HD PRO 105 2HD PRO 105 -2.962 10.709 2.385 684 H GLU 106 H GLU 106 -5.773 5.939 3.887 685 HA GLU 106 HA GLU 106 -4.020 5.373 6.102 686 1HB GLU 106 1HB GLU 106 -6.866 5.124 5.525 687 2HB GLU 106 2HB GLU 106 -6.225 3.613 6.192 688 1HG GLU 106 1HG GLU 106 -6.769 4.779 8.135 689 2HG GLU 106 2HG GLU 106 -5.067 5.234 7.948 690 HE2 GLU 106 HE2 GLU 106 -5.908 8.519 7.113 691 H GLY 107 H GLY 107 -2.553 3.722 6.081 692 1HA GLY 107 1HA GLY 107 -3.043 1.482 4.217 693 2HA GLY 107 2HA GLY 107 -1.490 2.288 4.297 694 H VAL 108 H VAL 108 -2.087 -0.545 4.881 695 HA VAL 108 HA VAL 108 -1.590 -0.613 7.769 696 HB VAL 108 HB VAL 108 -3.517 -1.869 6.620 697 1HG1 VAL 108 1HG1 VAL 108 -1.347 -3.888 6.004 698 2HG1 VAL 108 2HG1 VAL 108 -3.067 -3.934 5.548 699 3HG1 VAL 108 3HG1 VAL 108 -1.975 -2.753 4.787 700 1HG2 VAL 108 1HG2 VAL 108 -2.834 -4.008 8.061 701 2HG2 VAL 108 2HG2 VAL 108 -1.577 -2.891 8.649 702 3HG2 VAL 108 3HG2 VAL 108 -3.296 -2.464 8.818 703 H ALA 109 H ALA 109 0.502 -0.757 8.371 704 HA ALA 109 HA ALA 109 2.568 -1.183 6.545 705 1HB ALA 109 1HB ALA 109 3.869 -0.627 8.321 706 2HB ALA 109 2HB ALA 109 2.319 -0.249 9.112 707 3HB ALA 109 3HB ALA 109 3.099 -1.825 9.389 708 H ILE 110 H ILE 110 2.218 -3.085 5.322 709 HA ILE 110 HA ILE 110 2.043 -5.575 6.825 710 HB ILE 110 HB ILE 110 0.789 -4.688 4.567 711 1HG1 ILE 110 1HG1 ILE 110 -0.066 -6.936 4.370 712 2HG1 ILE 110 2HG1 ILE 110 1.285 -7.583 5.321 713 1HG2 ILE 110 1HG2 ILE 110 3.035 -6.524 3.690 714 2HG2 ILE 110 2HG2 ILE 110 1.612 -6.096 2.710 715 3HG2 ILE 110 3HG2 ILE 110 2.775 -4.836 3.189 716 1HD1 ILE 110 1HD1 ILE 110 -0.178 -5.369 6.643 717 2HD1 ILE 110 2HD1 ILE 110 -1.165 -6.820 6.350 718 3HD1 ILE 110 3HD1 ILE 110 0.337 -6.942 7.296 719 H SER 111 H SER 111 3.654 -7.141 6.850 720 HA SER 111 HA SER 111 5.758 -7.269 5.126 721 1HB SER 111 1HB SER 111 6.170 -4.971 6.397 722 2HB SER 111 2HB SER 111 6.829 -6.029 7.657 723 HG SER 111 HG SER 111 8.579 -6.326 6.463 724 H PHE 112 H PHE 112 5.198 -7.281 8.725 725 HA PHE 112 HA PHE 112 5.658 -10.159 8.671 726 1HB PHE 112 1HB PHE 112 7.771 -8.845 9.283 727 2HB PHE 112 2HB PHE 112 6.886 -8.132 10.636 728 HD1 PHE 112 1HD PHE 112 7.738 -11.491 9.235 729 HD2 PHE 112 2HD PHE 112 7.127 -9.126 12.703 730 HE1 PHE 112 1HE PHE 112 8.419 -13.429 10.677 731 HE2 PHE 112 2HE PHE 112 7.808 -11.063 14.146 732 HZ PHE 112 HZ PHE 112 8.446 -13.191 13.116 733 H ASN 113 H ASN 113 4.551 -11.318 10.327 734 HA ASN 113 HA ASN 113 2.187 -10.153 11.141 735 1HB ASN 113 1HB ASN 113 2.899 -12.669 10.913 736 2HB ASN 113 2HB ASN 113 3.460 -12.513 12.585 737 1HD2 ASN 113 1HD2 ASN 113 1.591 -14.327 12.120 738 2HD2 ASN 113 2HD2 ASN 113 0.030 -13.845 12.695 739 6H NCZ 130 6H NCZ 130 -0.523 13.777 -0.751 740 6H1 NCZ 130 6H1 NCZ 130 -1.369 11.017 -1.156 741 5H1 NCZ 130 5H1 NCZ 130 -2.758 12.341 0.663 742 4H1 NCZ 130 4H1 NCZ 130 -0.986 12.555 2.763 743 5H NCZ 130 5H NCZ 130 2.264 12.712 1.149 744 3H1 NCZ 130 3H1 NCZ 130 0.884 11.117 2.147 745 2H1 NCZ 130 2H1 NCZ 130 1.041 11.558 -0.697 746 2H NCZ 130 2H NCZ 130 -0.438 8.513 -3.760 747 8H NCZ 130 8H NCZ 130 -1.116 5.381 -3.557 748 7H NCZ 130 7H NCZ 130 -1.675 4.115 -1.510 749 3H NCZ 130 3H NCZ 130 -0.814 4.717 3.074 750 1H17 NCZ 130 1H17 NCZ 130 1.114 8.290 4.986 751 2H17 NCZ 130 2H17 NCZ 130 1.678 8.593 3.326 752 3H17 NCZ 130 3H17 NCZ 130 -0.021 8.898 3.758 753 1H18 NCZ 130 1H18 NCZ 130 -1.580 3.038 -0.038 754 2H18 NCZ 130 2H18 NCZ 130 -1.397 2.896 1.727 755 3H18 NCZ 130 3H18 NCZ 130 -2.809 3.737 1.043 756 1H NCZ 130 1H NCZ 130 0.921 8.135 1.261 Start of MODEL 38 1 H ALA 1 H ALA 1 -11.861 -2.866 15.106 2 HA ALA 1 HA ALA 1 -9.642 -2.320 16.857 3 1HB ALA 1 1HB ALA 1 -9.834 -4.521 17.328 4 2HB ALA 1 2HB ALA 1 -11.322 -4.484 16.352 5 3HB ALA 1 3HB ALA 1 -9.781 -4.975 15.609 6 H ALA 2 H ALA 2 -10.231 -3.193 13.409 7 HA ALA 2 HA ALA 2 -7.861 -1.909 12.591 8 1HB ALA 2 1HB ALA 2 -6.373 -3.634 12.247 9 2HB ALA 2 2HB ALA 2 -7.202 -4.265 13.690 10 3HB ALA 2 3HB ALA 2 -7.657 -4.853 12.073 11 HA PRO 3 HA PRO 3 -11.218 -2.819 9.609 12 1HB PRO 3 1HB PRO 3 -12.304 -0.320 9.406 13 2HB PRO 3 2HB PRO 3 -12.968 -1.580 10.447 14 1HG PRO 3 1HG PRO 3 -11.353 0.793 11.133 15 2HG PRO 3 2HG PRO 3 -12.411 -0.193 12.204 16 1HD PRO 3 1HD PRO 3 -9.552 -0.178 12.050 17 2HD PRO 3 2HD PRO 3 -10.550 -1.279 13.007 18 H THR 4 H THR 4 -11.817 -0.715 7.744 19 HA THR 4 HA THR 4 -10.955 0.210 5.915 20 HB THR 4 HB THR 4 -9.070 1.560 6.230 21 HG1 THR 4 1HG THR 4 -7.403 0.049 6.288 22 1HG2 THR 4 1HG2 THR 4 -10.507 1.362 8.519 23 2HG2 THR 4 2HG2 THR 4 -8.982 0.654 9.105 24 3HG2 THR 4 3HG2 THR 4 -9.001 2.308 8.444 25 H ALA 5 H ALA 5 -8.462 -0.074 4.599 26 HA ALA 5 HA ALA 5 -8.846 -2.730 3.594 27 1HB ALA 5 1HB ALA 5 -6.756 -1.837 2.193 28 2HB ALA 5 2HB ALA 5 -8.405 -1.248 1.877 29 3HB ALA 5 3HB ALA 5 -7.284 -0.273 2.859 30 H THR 6 H THR 6 -7.755 -4.542 4.189 31 HA THR 6 HA THR 6 -5.151 -4.187 5.491 32 HB THR 6 HB THR 6 -6.120 -6.172 7.012 33 HG1 THR 6 1HG THR 6 -8.212 -6.373 6.222 34 1HG2 THR 6 1HG2 THR 6 -5.991 -3.308 7.329 35 2HG2 THR 6 2HG2 THR 6 -7.552 -3.851 7.988 36 3HG2 THR 6 3HG2 THR 6 -6.035 -4.544 8.610 37 H VAL 7 H VAL 7 -3.645 -5.820 5.122 38 HA VAL 7 HA VAL 7 -4.255 -7.399 2.785 39 HB VAL 7 HB VAL 7 -1.845 -6.561 4.315 40 1HG1 VAL 7 1HG1 VAL 7 -1.671 -9.050 4.195 41 2HG1 VAL 7 2HG1 VAL 7 -1.780 -8.934 2.423 42 3HG1 VAL 7 3HG1 VAL 7 -0.404 -8.199 3.280 43 1HG2 VAL 7 1HG2 VAL 7 -2.669 -6.646 1.403 44 2HG2 VAL 7 2HG2 VAL 7 -2.408 -5.220 2.438 45 3HG2 VAL 7 3HG2 VAL 7 -1.024 -6.219 1.931 46 H THR 8 H THR 8 -4.887 -9.497 2.803 47 HA THR 8 HA THR 8 -5.851 -10.887 4.807 48 HB THR 8 HB THR 8 -4.313 -11.631 2.329 49 HG1 THR 8 1HG THR 8 -6.605 -11.162 2.330 50 1HG2 THR 8 1HG2 THR 8 -5.441 -13.754 4.210 51 2HG2 THR 8 2HG2 THR 8 -4.500 -13.999 2.720 52 3HG2 THR 8 3HG2 THR 8 -3.704 -13.362 4.178 53 HA PRO 9 HA PRO 9 -1.844 -12.575 6.484 54 1HB PRO 9 1HB PRO 9 0.535 -12.220 5.186 55 2HB PRO 9 2HB PRO 9 -0.479 -13.643 4.968 56 1HG PRO 9 1HG PRO 9 -0.091 -11.307 3.210 57 2HG PRO 9 2HG PRO 9 -0.724 -12.938 2.786 58 1HD PRO 9 1HD PRO 9 -2.182 -10.498 3.126 59 2HD PRO 9 2HD PRO 9 -2.865 -12.107 2.865 60 H SER 10 H SER 10 0.760 -11.674 6.999 61 HA SER 10 HA SER 10 0.405 -8.850 7.414 62 1HB SER 10 1HB SER 10 -0.547 -10.298 9.406 63 2HB SER 10 2HB SER 10 1.161 -10.491 9.838 64 HG SER 10 HG SER 10 -0.328 -8.022 9.564 65 H SER 11 H SER 11 2.466 -11.504 8.823 66 HA SER 11 HA SER 11 4.750 -10.073 7.712 67 1HB SER 11 1HB SER 11 5.018 -10.078 10.050 68 2HB SER 11 2HB SER 11 4.387 -11.726 10.226 69 HG SER 11 HG SER 11 6.779 -11.292 8.715 70 H GLY 12 H GLY 12 6.509 -11.377 6.782 71 1HA GLY 12 1HA GLY 12 7.432 -13.331 5.963 72 2HA GLY 12 2HA GLY 12 5.957 -14.206 6.327 73 H LEU 13 H LEU 13 6.203 -11.071 4.561 74 HA LEU 13 HA LEU 13 4.790 -12.315 2.352 75 1HB LEU 13 1HB LEU 13 5.524 -9.427 2.785 76 2HB LEU 13 2HB LEU 13 4.369 -10.075 1.606 77 HG LEU 13 HG LEU 13 4.067 -9.510 4.499 78 1HD1 LEU 13 1HD1 LEU 13 1.936 -8.735 3.872 79 2HD1 LEU 13 2HD1 LEU 13 3.018 -8.258 2.541 80 3HD1 LEU 13 3HD1 LEU 13 1.945 -9.668 2.357 81 1HD2 LEU 13 1HD2 LEU 13 2.112 -11.208 4.529 82 2HD2 LEU 13 2HD2 LEU 13 3.019 -12.032 3.239 83 3HD2 LEU 13 3HD2 LEU 13 3.768 -11.786 4.834 84 H SER 14 H SER 14 5.528 -12.086 0.123 85 HA SER 14 HA SER 14 8.431 -11.805 0.021 86 1HB SER 14 1HB SER 14 7.490 -14.161 -0.259 87 2HB SER 14 2HB SER 14 6.775 -13.610 -1.787 88 HG SER 14 HG SER 14 9.503 -14.044 -1.077 89 H ASP 15 H ASP 15 9.290 -10.995 -2.087 90 HA ASP 15 HA ASP 15 7.940 -8.777 -2.942 91 1HB ASP 15 1HB ASP 15 10.215 -8.753 -3.422 92 2HB ASP 15 2HB ASP 15 10.230 -10.432 -3.986 93 HD2 ASP 15 HD2 ASP 15 10.447 -9.115 -7.136 94 H GLY 16 H GLY 16 5.715 -9.626 -3.407 95 1HA GLY 16 1HA GLY 16 4.535 -9.677 -5.586 96 2HA GLY 16 2HA GLY 16 5.549 -11.044 -5.998 97 H THR 17 H THR 17 4.098 -10.336 -2.773 98 HA THR 17 HA THR 17 2.867 -12.974 -2.836 99 HB THR 17 HB THR 17 3.195 -10.863 -0.636 100 HG1 THR 17 1HG THR 17 5.059 -12.132 -1.781 101 1HG2 THR 17 1HG2 THR 17 1.441 -13.022 -0.608 102 2HG2 THR 17 2HG2 THR 17 2.938 -13.757 0.019 103 3HG2 THR 17 3HG2 THR 17 2.227 -12.347 0.840 104 H VAL 18 H VAL 18 0.943 -13.169 -3.803 105 HA VAL 18 HA VAL 18 -0.798 -10.927 -4.042 106 HB VAL 18 HB VAL 18 -1.574 -13.785 -4.527 107 1HG1 VAL 18 1HG1 VAL 18 -2.394 -12.349 -6.680 108 2HG1 VAL 18 2HG1 VAL 18 -3.371 -12.591 -5.213 109 3HG1 VAL 18 3HG1 VAL 18 -2.431 -11.093 -5.420 110 1HG2 VAL 18 1HG2 VAL 18 0.398 -14.003 -5.650 111 2HG2 VAL 18 2HG2 VAL 18 -0.528 -13.166 -6.921 112 3HG2 VAL 18 3HG2 VAL 18 0.590 -12.248 -5.884 113 H VAL 19 H VAL 19 -2.254 -10.202 -2.583 114 HA VAL 19 HA VAL 19 -3.400 -12.145 -0.733 115 HB VAL 19 HB VAL 19 -3.028 -10.616 1.151 116 1HG1 VAL 19 1HG1 VAL 19 -0.472 -10.948 1.259 117 2HG1 VAL 19 2HG1 VAL 19 -1.496 -12.392 1.082 118 3HG1 VAL 19 3HG1 VAL 19 -0.641 -11.726 -0.331 119 1HG2 VAL 19 1HG2 VAL 19 -2.693 -8.464 0.483 120 2HG2 VAL 19 2HG2 VAL 19 -0.987 -8.956 0.604 121 3HG2 VAL 19 3HG2 VAL 19 -1.798 -8.940 -0.981 122 H LYS 20 H LYS 20 -5.391 -11.257 0.340 123 HA LYS 20 HA LYS 20 -6.753 -9.526 -1.568 124 1HB LYS 20 1HB LYS 20 -7.609 -11.598 0.416 125 2HB LYS 20 2HB LYS 20 -8.767 -10.360 -0.104 126 1HG LYS 20 1HG LYS 20 -8.927 -11.222 -2.213 127 2HG LYS 20 2HG LYS 20 -7.209 -11.649 -2.295 128 1HD LYS 20 1HD LYS 20 -8.154 -13.762 -2.206 129 2HD LYS 20 2HD LYS 20 -7.933 -13.470 -0.473 130 1HE LYS 20 1HE LYS 20 -10.485 -12.469 -1.643 131 2HE LYS 20 2HE LYS 20 -10.308 -14.231 -1.613 132 1HZ LYS 20 1HZ LYS 20 -11.147 -13.801 0.434 133 2HZ LYS 20 2HZ LYS 20 -9.556 -13.729 0.797 134 3HZ LYS 20 3HZ LYS 20 -10.412 -12.351 0.598 135 H VAL 21 H VAL 21 -7.169 -7.425 -1.130 136 HA VAL 21 HA VAL 21 -6.608 -6.533 1.596 137 HB VAL 21 HB VAL 21 -6.882 -4.992 -0.993 138 1HG1 VAL 21 1HG1 VAL 21 -6.390 -4.188 1.847 139 2HG1 VAL 21 2HG1 VAL 21 -5.516 -3.319 0.563 140 3HG1 VAL 21 3HG1 VAL 21 -7.296 -3.358 0.561 141 1HG2 VAL 21 1HG2 VAL 21 -4.938 -6.374 -1.161 142 2HG2 VAL 21 2HG2 VAL 21 -4.381 -4.733 -0.749 143 3HG2 VAL 21 3HG2 VAL 21 -4.443 -5.994 0.506 144 H ALA 22 H ALA 22 -8.450 -6.821 2.811 145 HA ALA 22 HA ALA 22 -11.006 -6.146 1.614 146 1HB ALA 22 1HB ALA 22 -10.836 -8.196 2.923 147 2HB ALA 22 2HB ALA 22 -10.198 -7.293 4.317 148 3HB ALA 22 3HB ALA 22 -11.877 -7.036 3.783 149 H GLY 23 H GLY 23 -11.779 -4.102 1.686 150 1HA GLY 23 1HA GLY 23 -10.757 -2.335 3.823 151 2HA GLY 23 2HA GLY 23 -11.266 -1.820 2.228 152 H ALA 24 H ALA 24 -12.203 -1.356 5.211 153 HA ALA 24 HA ALA 24 -15.038 -1.508 4.525 154 1HB ALA 24 1HB ALA 24 -15.645 -2.613 6.493 155 2HB ALA 24 2HB ALA 24 -14.142 -3.458 6.048 156 3HB ALA 24 3HB ALA 24 -14.119 -2.207 7.314 157 H GLY 25 H GLY 25 -15.924 0.483 4.738 158 1HA GLY 25 1HA GLY 25 -16.275 2.586 5.454 159 2HA GLY 25 2HA GLY 25 -15.504 2.149 6.966 160 H LEU 26 H LEU 26 -13.682 1.648 3.986 161 HA LEU 26 HA LEU 26 -11.798 3.656 4.862 162 1HB LEU 26 1HB LEU 26 -11.057 1.428 4.239 163 2HB LEU 26 2HB LEU 26 -11.693 1.654 2.601 164 HG LEU 26 HG LEU 26 -10.076 3.502 2.270 165 1HD1 LEU 26 1HD1 LEU 26 -8.252 2.902 4.408 166 2HD1 LEU 26 2HD1 LEU 26 -8.982 4.457 3.943 167 3HD1 LEU 26 3HD1 LEU 26 -9.829 3.380 5.079 168 1HD2 LEU 26 1HD2 LEU 26 -9.396 1.442 1.377 169 2HD2 LEU 26 2HD2 LEU 26 -7.994 2.016 2.313 170 3HD2 LEU 26 3HD2 LEU 26 -9.056 0.753 2.984 171 H GLN 27 H GLN 27 -12.225 2.995 1.418 172 HA GLN 27 HA GLN 27 -12.118 5.576 0.666 173 1HB GLN 27 1HB GLN 27 -13.100 3.050 -0.549 174 2HB GLN 27 2HB GLN 27 -13.663 4.530 -1.341 175 1HG GLN 27 1HG GLN 27 -11.432 3.471 -2.146 176 2HG GLN 27 2HG GLN 27 -11.457 5.218 -1.871 177 1HE2 GLN 27 1HE2 GLN 27 -10.359 6.104 -0.168 178 2HE2 GLN 27 2HE2 GLN 27 -9.205 5.245 0.795 179 H ALA 28 H ALA 28 -14.770 3.929 2.213 180 HA ALA 28 HA ALA 28 -16.719 4.678 2.961 181 1HB ALA 28 1HB ALA 28 -16.963 6.920 3.386 182 2HB ALA 28 2HB ALA 28 -15.238 6.934 2.948 183 3HB ALA 28 3HB ALA 28 -16.465 7.397 1.746 184 H GLY 29 H GLY 29 -15.830 4.138 -0.136 185 1HA GLY 29 1HA GLY 29 -17.549 3.184 -1.545 186 2HA GLY 29 2HA GLY 29 -18.584 4.538 -1.137 187 H THR 30 H THR 30 -15.416 5.724 -1.342 188 HA THR 30 HA THR 30 -15.986 6.878 -3.943 189 HB THR 30 HB THR 30 -13.473 7.468 -2.398 190 HG1 THR 30 1HG THR 30 -16.265 7.880 -1.608 191 1HG2 THR 30 1HG2 THR 30 -14.067 8.952 -4.264 192 2HG2 THR 30 2HG2 THR 30 -15.728 9.121 -3.648 193 3HG2 THR 30 3HG2 THR 30 -14.367 9.829 -2.744 194 H ALA 31 H ALA 31 -13.272 7.299 -4.775 195 HA ALA 31 HA ALA 31 -12.442 4.546 -5.357 196 1HB ALA 31 1HB ALA 31 -12.322 6.722 -7.447 197 2HB ALA 31 2HB ALA 31 -12.351 4.953 -7.658 198 3HB ALA 31 3HB ALA 31 -13.834 5.819 -7.186 199 H TYR 32 H TYR 32 -10.424 4.275 -4.557 200 HA TYR 32 HA TYR 32 -8.624 6.599 -4.706 201 1HB TYR 32 1HB TYR 32 -9.335 4.526 -2.600 202 2HB TYR 32 2HB TYR 32 -7.668 5.109 -2.625 203 HD1 TYR 32 1HD TYR 32 -10.994 6.805 -3.072 204 HD2 TYR 32 2HD TYR 32 -7.328 6.592 -0.875 205 HE1 TYR 32 1HE TYR 32 -11.691 8.826 -1.697 206 HE2 TYR 32 2HE TYR 32 -8.039 8.615 0.491 207 HH TYR 32 HH TYR 32 -10.278 9.642 1.153 208 H ASP 33 H ASP 33 -6.256 5.951 -4.685 209 HA ASP 33 HA ASP 33 -5.974 3.781 -6.541 210 1HB ASP 33 1HB ASP 33 -4.841 6.182 -6.534 211 2HB ASP 33 2HB ASP 33 -3.665 5.409 -5.458 212 HD2 ASP 33 HD2 ASP 33 -2.012 4.099 -8.131 213 H VAL 34 H VAL 34 -5.427 1.729 -5.793 214 HA VAL 34 HA VAL 34 -4.591 1.420 -3.061 215 HB VAL 34 HB VAL 34 -5.112 -0.533 -5.309 216 1HG1 VAL 34 1HG1 VAL 34 -3.901 -1.956 -4.043 217 2HG1 VAL 34 2HG1 VAL 34 -3.982 -0.910 -2.605 218 3HG1 VAL 34 3HG1 VAL 34 -5.344 -1.984 -3.003 219 1HG2 VAL 34 1HG2 VAL 34 -7.235 -0.909 -4.344 220 2HG2 VAL 34 2HG2 VAL 34 -6.801 -0.055 -2.844 221 3HG2 VAL 34 3HG2 VAL 34 -7.037 0.860 -4.353 222 H GLY 35 H GLY 35 -2.550 0.972 -2.304 223 1HA GLY 35 1HA GLY 35 -0.477 -0.161 -3.783 224 2HA GLY 35 2HA GLY 35 -0.337 1.578 -3.953 225 H GLN 36 H GLN 36 1.523 -0.225 -2.558 226 HA GLN 36 HA GLN 36 1.027 0.379 0.220 227 1HB GLN 36 1HB GLN 36 2.892 -1.105 0.687 228 2HB GLN 36 2HB GLN 36 1.821 -1.897 -0.481 229 1HG GLN 36 1HG GLN 36 3.595 -0.473 -2.094 230 2HG GLN 36 2HG GLN 36 4.629 -1.027 -0.770 231 1HE2 GLN 36 1HE2 GLN 36 4.339 -1.769 -3.662 232 2HE2 GLN 36 2HE2 GLN 36 4.159 -3.491 -3.693 233 H CYS 37 H CYS 37 1.462 2.532 0.655 234 HA CYS 37 HA CYS 37 3.977 3.580 -0.406 235 1HB CYS 37 1HB CYS 37 1.670 4.703 -0.780 236 2HB CYS 37 2HB CYS 37 1.849 5.261 0.885 237 H ALA 38 H ALA 38 5.366 4.804 1.126 238 HA ALA 38 HA ALA 38 4.879 5.030 3.834 239 1HB ALA 38 1HB ALA 38 5.360 3.043 4.780 240 2HB ALA 38 2HB ALA 38 5.224 2.336 3.153 241 3HB ALA 38 3HB ALA 38 6.814 2.837 3.775 242 H TRP 39 H TRP 39 7.078 5.371 5.055 243 HA TRP 39 HA TRP 39 8.640 7.073 3.364 244 1HB TRP 39 1HB TRP 39 9.849 7.593 5.419 245 2HB TRP 39 2HB TRP 39 8.103 7.783 5.596 246 HD1 TRP 39 HD TRP 39 6.862 5.664 7.013 247 HE1 TRP 39 1HE TRP 39 7.684 4.220 9.060 248 HE3 TRP 39 3HE TRP 39 11.809 6.674 6.413 249 HZ2 TRP 39 2HZ TRP 39 10.254 3.672 10.175 250 HZ3 TRP 39 3HZ TRP 39 13.409 5.645 8.023 251 HH2 TRP 39 HH TRP 39 12.701 4.190 9.857 252 H VAL 40 H VAL 40 10.224 6.279 2.052 253 HA VAL 40 HA VAL 40 11.428 3.725 2.774 254 HB VAL 40 HB VAL 40 10.399 4.179 0.522 255 1HG1 VAL 40 1HG1 VAL 40 11.612 5.491 -1.105 256 2HG1 VAL 40 2HG1 VAL 40 11.268 6.513 0.311 257 3HG1 VAL 40 3HG1 VAL 40 12.899 5.843 0.073 258 1HG2 VAL 40 1HG2 VAL 40 12.052 2.920 -0.675 259 2HG2 VAL 40 2HG2 VAL 40 13.346 3.468 0.419 260 3HG2 VAL 40 3HG2 VAL 40 12.078 2.373 1.018 261 H ASP 41 H ASP 41 12.327 7.109 1.832 262 HA ASP 41 HA ASP 41 15.045 6.596 2.480 263 1HB ASP 41 1HB ASP 41 13.691 8.440 0.922 264 2HB ASP 41 2HB ASP 41 14.145 9.421 2.323 265 HD2 ASP 41 HD2 ASP 41 16.782 9.473 -0.220 266 H THR 42 H THR 42 15.573 9.241 3.729 267 HA THR 42 HA THR 42 14.828 8.560 6.441 268 HB THR 42 HB THR 42 16.751 10.464 5.056 269 HG1 THR 42 1HG THR 42 17.373 8.258 5.546 270 1HG2 THR 42 1HG2 THR 42 15.893 11.799 6.946 271 2HG2 THR 42 2HG2 THR 42 15.999 10.388 8.026 272 3HG2 THR 42 3HG2 THR 42 17.484 11.135 7.388 273 H GLY 43 H GLY 43 12.544 8.887 6.402 274 1HA GLY 43 1HA GLY 43 10.803 10.179 7.070 275 2HA GLY 43 2HA GLY 43 11.832 11.597 7.039 276 H VAL 44 H VAL 44 11.879 9.596 4.158 277 HA VAL 44 HA VAL 44 10.299 11.658 2.798 278 HB VAL 44 HB VAL 44 12.252 9.671 1.628 279 1HG1 VAL 44 1HG1 VAL 44 12.248 11.183 -0.308 280 2HG1 VAL 44 2HG1 VAL 44 10.612 10.570 0.037 281 3HG1 VAL 44 3HG1 VAL 44 11.060 12.230 0.505 282 1HG2 VAL 44 1HG2 VAL 44 13.935 11.386 1.640 283 2HG2 VAL 44 2HG2 VAL 44 12.789 12.585 2.283 284 3HG2 VAL 44 3HG2 VAL 44 13.314 11.221 3.297 285 H LEU 45 H LEU 45 8.219 11.105 2.427 286 HA LEU 45 HA LEU 45 7.393 8.391 2.590 287 1HB LEU 45 1HB LEU 45 6.153 10.514 3.258 288 2HB LEU 45 2HB LEU 45 5.764 10.689 1.538 289 HG LEU 45 HG LEU 45 4.098 9.224 1.697 290 1HD1 LEU 45 1HD1 LEU 45 5.800 7.334 3.340 291 2HD1 LEU 45 2HD1 LEU 45 4.322 6.953 2.425 292 3HD1 LEU 45 3HD1 LEU 45 5.808 7.409 1.563 293 1HD2 LEU 45 1HD2 LEU 45 3.595 8.479 4.215 294 2HD2 LEU 45 2HD2 LEU 45 4.757 9.787 4.542 295 3HD2 LEU 45 3HD2 LEU 45 3.276 10.122 3.611 296 H ALA 46 H ALA 46 7.960 6.953 1.037 297 HA ALA 46 HA ALA 46 7.676 7.869 -1.744 298 1HB ALA 46 1HB ALA 46 9.492 6.385 -2.325 299 2HB ALA 46 2HB ALA 46 10.029 7.394 -0.960 300 3HB ALA 46 3HB ALA 46 9.534 5.708 -0.678 301 H CYS 47 H CYS 47 6.620 6.455 -3.210 302 HA CYS 47 HA CYS 47 5.094 4.369 -1.842 303 1HB CYS 47 1HB CYS 47 4.438 5.768 -4.436 304 2HB CYS 47 2HB CYS 47 3.420 4.619 -3.565 305 H ASN 48 H ASN 48 4.739 2.333 -3.108 306 HA ASN 48 HA ASN 48 7.163 1.573 -4.359 307 1HB ASN 48 1HB ASN 48 4.530 0.203 -3.721 308 2HB ASN 48 2HB ASN 48 5.730 -0.621 -4.728 309 1HD2 ASN 48 1HD2 ASN 48 6.654 1.673 -2.281 310 2HD2 ASN 48 2HD2 ASN 48 7.322 0.565 -1.130 311 HA PRO 49 HA PRO 49 5.785 1.919 -8.509 312 1HB PRO 49 1HB PRO 49 6.907 -0.234 -9.763 313 2HB PRO 49 2HB PRO 49 7.806 1.231 -9.372 314 1HG PRO 49 1HG PRO 49 7.812 -1.407 -8.052 315 2HG PRO 49 2HG PRO 49 9.050 -0.104 -7.961 316 1HD PRO 49 1HD PRO 49 7.103 -0.851 -5.998 317 2HD PRO 49 2HD PRO 49 8.194 0.540 -5.928 318 H ALA 50 H ALA 50 4.857 -0.806 -6.729 319 HA ALA 50 HA ALA 50 2.838 -1.431 -8.762 320 1HB ALA 50 1HB ALA 50 4.375 -2.986 -6.746 321 2HB ALA 50 2HB ALA 50 2.661 -3.431 -6.921 322 3HB ALA 50 3HB ALA 50 3.741 -3.481 -8.335 323 H ASP 51 H ASP 51 3.044 0.844 -6.619 324 HA ASP 51 HA ASP 51 0.867 0.133 -4.903 325 1HB ASP 51 1HB ASP 51 1.964 1.630 -3.619 326 2HB ASP 51 2HB ASP 51 2.971 2.135 -4.986 327 HD2 ASP 51 HD2 ASP 51 0.929 4.915 -5.591 328 H PHE 52 H PHE 52 0.892 0.668 -8.066 329 HA PHE 52 HA PHE 52 -1.173 2.739 -8.097 330 1HB PHE 52 1HB PHE 52 0.145 1.372 -10.481 331 2HB PHE 52 2HB PHE 52 -0.500 3.013 -10.403 332 HD1 PHE 52 1HD PHE 52 0.836 4.036 -7.978 333 HD2 PHE 52 2HD PHE 52 2.352 1.638 -11.133 334 HE1 PHE 52 1HE PHE 52 3.146 4.906 -7.529 335 HE2 PHE 52 2HE PHE 52 4.662 2.508 -10.687 336 HZ PHE 52 HZ PHE 52 5.033 4.133 -8.890 337 H SER 53 H SER 53 -2.998 1.523 -7.414 338 HA SER 53 HA SER 53 -3.937 -0.266 -9.477 339 1HB SER 53 1HB SER 53 -3.086 -1.907 -8.017 340 2HB SER 53 2HB SER 53 -3.556 -1.008 -6.565 341 HG SER 53 HG SER 53 -5.555 -1.944 -8.400 342 H SER 54 H SER 54 -5.292 1.642 -9.941 343 HA SER 54 HA SER 54 -6.826 2.930 -8.100 344 1HB SER 54 1HB SER 54 -6.487 2.994 -10.847 345 2HB SER 54 2HB SER 54 -8.184 2.511 -10.694 346 HG SER 54 HG SER 54 -8.694 4.452 -9.852 347 H VAL 55 H VAL 55 -8.382 2.167 -6.717 348 HA VAL 55 HA VAL 55 -10.204 0.125 -7.747 349 HB VAL 55 HB VAL 55 -8.131 -0.492 -6.063 350 1HG1 VAL 55 1HG1 VAL 55 -9.030 0.782 -4.206 351 2HG1 VAL 55 2HG1 VAL 55 -10.604 -0.034 -4.361 352 3HG1 VAL 55 3HG1 VAL 55 -9.170 -0.955 -3.851 353 1HG2 VAL 55 1HG2 VAL 55 -8.930 -2.545 -6.445 354 2HG2 VAL 55 2HG2 VAL 55 -10.433 -2.201 -5.557 355 3HG2 VAL 55 3HG2 VAL 55 -10.300 -1.772 -7.279 356 H THR 56 H THR 56 -12.225 -0.009 -6.372 357 HA THR 56 HA THR 56 -12.718 2.505 -4.938 358 HB THR 56 HB THR 56 -13.866 1.556 -7.499 359 HG1 THR 56 1HG THR 56 -14.182 3.854 -7.533 360 1HG2 THR 56 1HG2 THR 56 -16.157 2.348 -7.001 361 2HG2 THR 56 2HG2 THR 56 -15.777 0.962 -5.950 362 3HG2 THR 56 3HG2 THR 56 -15.715 2.616 -5.297 363 H ALA 57 H ALA 57 -14.396 2.416 -3.344 364 HA ALA 57 HA ALA 57 -14.843 -0.345 -2.452 365 1HB ALA 57 1HB ALA 57 -13.485 1.154 -0.978 366 2HB ALA 57 2HB ALA 57 -14.883 2.250 -0.858 367 3HB ALA 57 3HB ALA 57 -14.989 0.596 -0.209 368 H ASP 58 H ASP 58 -16.964 -0.821 -1.462 369 HA ASP 58 HA ASP 58 -19.013 0.126 -3.095 370 1HB ASP 58 1HB ASP 58 -19.577 -1.120 -0.410 371 2HB ASP 58 2HB ASP 58 -20.378 -1.419 -1.959 372 HD2 ASP 58 HD2 ASP 58 -18.367 -4.307 -1.190 373 H ALA 59 H ALA 59 -21.051 1.250 -2.272 374 HA ALA 59 HA ALA 59 -20.650 3.669 -1.197 375 1HB ALA 59 1HB ALA 59 -22.891 3.801 -1.420 376 2HB ALA 59 2HB ALA 59 -22.830 2.101 -1.945 377 3HB ALA 59 3HB ALA 59 -23.163 2.495 -0.241 378 H ASN 60 H ASN 60 -20.745 0.566 0.521 379 HA ASN 60 HA ASN 60 -20.900 1.891 3.058 380 1HB ASN 60 1HB ASN 60 -21.567 -0.656 2.112 381 2HB ASN 60 2HB ASN 60 -20.102 -0.964 3.053 382 1HD2 ASN 60 1HD2 ASN 60 -21.265 -2.108 4.592 383 2HD2 ASN 60 2HD2 ASN 60 -22.274 -1.344 5.774 384 H GLY 61 H GLY 61 -18.639 2.636 1.377 385 1HA GLY 61 1HA GLY 61 -16.376 2.659 1.273 386 2HA GLY 61 2HA GLY 61 -16.513 2.691 3.019 387 H SER 62 H SER 62 -17.460 -0.032 0.853 388 HA SER 62 HA SER 62 -15.562 -1.654 2.330 389 1HB SER 62 1HB SER 62 -17.458 -2.913 0.402 390 2HB SER 62 2HB SER 62 -16.998 -3.433 2.034 391 HG SER 62 HG SER 62 -19.238 -2.162 1.266 392 H ALA 63 H ALA 63 -13.562 -1.486 1.309 393 HA ALA 63 HA ALA 63 -13.552 -1.790 -1.609 394 1HB ALA 63 1HB ALA 63 -10.992 -1.085 -0.484 395 2HB ALA 63 2HB ALA 63 -12.029 -0.140 -1.578 396 3HB ALA 63 3HB ALA 63 -12.239 -0.006 0.184 397 H SER 64 H SER 64 -13.990 -4.134 -1.326 398 HA SER 64 HA SER 64 -11.868 -5.595 -0.051 399 1HB SER 64 1HB SER 64 -14.260 -6.704 -1.563 400 2HB SER 64 2HB SER 64 -13.263 -7.547 -0.364 401 HG SER 64 HG SER 64 -14.734 -6.882 1.038 402 H THR 65 H THR 65 -10.252 -4.700 -1.685 403 HA THR 65 HA THR 65 -10.431 -6.159 -4.237 404 HB THR 65 HB THR 65 -10.364 -3.519 -4.055 405 HG1 THR 65 1HG THR 65 -8.305 -4.952 -5.564 406 1HG2 THR 65 1HG2 THR 65 -7.435 -4.323 -3.660 407 2HG2 THR 65 2HG2 THR 65 -7.972 -2.715 -4.195 408 3HG2 THR 65 3HG2 THR 65 -8.398 -3.299 -2.569 409 H SER 66 H SER 66 -8.414 -7.020 -5.130 410 HA SER 66 HA SER 66 -6.638 -7.782 -2.944 411 1HB SER 66 1HB SER 66 -6.396 -9.938 -3.880 412 2HB SER 66 2HB SER 66 -8.131 -9.599 -4.016 413 HG SER 66 HG SER 66 -7.125 -10.515 -5.974 414 H LEU 67 H LEU 67 -4.350 -7.833 -3.402 415 HA LEU 67 HA LEU 67 -3.505 -7.039 -6.051 416 1HB LEU 67 1HB LEU 67 -3.944 -5.109 -4.081 417 2HB LEU 67 2HB LEU 67 -2.188 -5.338 -4.133 418 HG LEU 67 HG LEU 67 -3.001 -3.504 -5.579 419 1HD1 LEU 67 1HD1 LEU 67 -1.612 -3.981 -7.434 420 2HD1 LEU 67 2HD1 LEU 67 -0.918 -4.865 -6.054 421 3HD1 LEU 67 3HD1 LEU 67 -1.873 -5.735 -7.278 422 1HD2 LEU 67 1HD2 LEU 67 -4.398 -5.704 -7.128 423 2HD2 LEU 67 2HD2 LEU 67 -5.180 -4.410 -6.186 424 3HD2 LEU 67 3HD2 LEU 67 -4.234 -4.006 -7.639 425 H THR 68 H THR 68 -0.919 -6.812 -5.922 426 HA THR 68 HA THR 68 -0.054 -9.170 -4.391 427 HB THR 68 HB THR 68 0.877 -7.880 -7.003 428 HG1 THR 68 1HG THR 68 -0.159 -9.728 -7.771 429 1HG2 THR 68 1HG2 THR 68 2.939 -8.714 -6.162 430 2HG2 THR 68 2HG2 THR 68 2.140 -10.008 -5.237 431 3HG2 THR 68 3HG2 THR 68 2.273 -10.131 -7.008 432 H VAL 69 H VAL 69 1.428 -9.014 -2.809 433 HA VAL 69 HA VAL 69 2.368 -6.345 -2.199 434 HB VAL 69 HB VAL 69 2.764 -8.932 -0.688 435 1HG1 VAL 69 1HG1 VAL 69 4.089 -7.618 0.558 436 2HG1 VAL 69 2HG1 VAL 69 3.505 -6.133 -0.231 437 3HG1 VAL 69 3HG1 VAL 69 2.589 -6.843 1.121 438 1HG2 VAL 69 1HG2 VAL 69 0.462 -6.964 -0.631 439 2HG2 VAL 69 2HG2 VAL 69 0.408 -8.720 -0.912 440 3HG2 VAL 69 3HG2 VAL 69 0.809 -8.089 0.704 441 H ARG 70 H ARG 70 3.949 -5.857 -3.748 442 HA ARG 70 HA ARG 70 6.004 -7.796 -4.191 443 1HB ARG 70 1HB ARG 70 5.446 -5.006 -5.265 444 2HB ARG 70 2HB ARG 70 6.933 -5.875 -5.679 445 1HG ARG 70 1HG ARG 70 4.556 -7.553 -6.004 446 2HG ARG 70 2HG ARG 70 4.439 -6.076 -6.977 447 1HD ARG 70 1HD ARG 70 7.033 -6.814 -7.469 448 2HD ARG 70 2HD ARG 70 6.293 -8.404 -7.234 449 HE ARG 70 HE ARG 70 4.713 -6.693 -8.982 450 1HH1 ARG 70 1HH1 ARG 70 7.498 -8.840 -8.889 451 2HH1 ARG 70 2HH1 ARG 70 7.413 -9.233 -10.574 452 1HH2 ARG 70 1HH2 ARG 70 4.601 -7.210 -11.206 453 2HH2 ARG 70 2HH2 ARG 70 5.753 -8.301 -11.899 454 H ARG 71 H ARG 71 6.705 -7.762 -1.841 455 HA ARG 71 HA ARG 71 7.491 -5.710 -0.393 456 1HB ARG 71 1HB ARG 71 7.743 -7.947 0.454 457 2HB ARG 71 2HB ARG 71 8.904 -8.383 -0.813 458 1HG ARG 71 1HG ARG 71 9.932 -6.087 0.552 459 2HG ARG 71 2HG ARG 71 9.402 -7.234 1.795 460 1HD ARG 71 1HD ARG 71 11.331 -7.762 -0.505 461 2HD ARG 71 2HD ARG 71 11.740 -7.694 1.217 462 HE ARG 71 HE ARG 71 9.687 -9.680 0.610 463 1HH1 ARG 71 1HH1 ARG 71 13.157 -9.097 0.680 464 2HH1 ARG 71 2HH1 ARG 71 13.565 -10.772 0.847 465 1HH2 ARG 71 1HH2 ARG 71 10.225 -11.890 0.829 466 2HH2 ARG 71 2HH2 ARG 71 11.886 -12.370 0.930 467 H SER 72 H SER 72 9.256 -7.103 -3.200 468 HA SER 72 HA SER 72 11.280 -5.044 -2.851 469 1HB SER 72 1HB SER 72 12.012 -7.429 -3.060 470 2HB SER 72 2HB SER 72 11.314 -7.479 -4.690 471 HG SER 72 HG SER 72 13.613 -7.041 -4.709 472 H PHE 73 H PHE 73 11.508 -3.387 -4.369 473 HA PHE 73 HA PHE 73 10.991 -3.348 -6.973 474 1HB PHE 73 1HB PHE 73 8.527 -3.578 -5.360 475 2HB PHE 73 2HB PHE 73 8.492 -2.110 -6.346 476 HD1 PHE 73 1HD PHE 73 10.275 -5.092 -7.490 477 HD2 PHE 73 2HD PHE 73 6.622 -2.940 -7.657 478 HE1 PHE 73 1HE PHE 73 9.560 -6.460 -9.468 479 HE2 PHE 73 2HE PHE 73 5.907 -4.309 -9.635 480 HZ PHE 73 HZ PHE 73 7.384 -6.052 -10.519 481 H GLU 74 H GLU 74 11.799 -1.416 -7.667 482 HA GLU 74 HA GLU 74 12.136 0.619 -5.693 483 1HB GLU 74 1HB GLU 74 13.923 -0.035 -7.310 484 2HB GLU 74 2HB GLU 74 12.940 0.609 -8.636 485 1HG GLU 74 1HG GLU 74 12.973 2.845 -7.535 486 2HG GLU 74 2HG GLU 74 13.990 2.194 -6.242 487 HE2 GLU 74 HE2 GLU 74 15.639 2.520 -9.872 488 H GLY 75 H GLY 75 10.420 1.942 -5.241 489 1HA GLY 75 1HA GLY 75 8.542 2.614 -7.378 490 2HA GLY 75 2HA GLY 75 8.344 2.887 -5.659 491 H PHE 76 H PHE 76 7.911 5.107 -5.670 492 HA PHE 76 HA PHE 76 10.152 6.762 -6.586 493 1HB PHE 76 1HB PHE 76 7.136 7.334 -6.704 494 2HB PHE 76 2HB PHE 76 8.401 8.400 -7.331 495 HD1 PHE 76 1HD PHE 76 7.020 4.961 -7.747 496 HD2 PHE 76 2HD PHE 76 8.983 8.252 -9.571 497 HE1 PHE 76 1HE PHE 76 6.847 3.829 -9.981 498 HE2 PHE 76 2HE PHE 76 8.808 7.119 -11.803 499 HZ PHE 76 HZ PHE 76 7.742 4.922 -11.982 500 H LEU 77 H LEU 77 10.468 8.756 -5.385 501 HA LEU 77 HA LEU 77 9.534 8.474 -2.649 502 1HB LEU 77 1HB LEU 77 11.708 10.019 -4.013 503 2HB LEU 77 2HB LEU 77 11.208 10.413 -2.359 504 HG LEU 77 HG LEU 77 11.762 7.562 -2.763 505 1HD1 LEU 77 1HD1 LEU 77 13.423 8.149 -4.312 506 2HD1 LEU 77 2HD1 LEU 77 13.900 9.595 -3.392 507 3HD1 LEU 77 3HD1 LEU 77 14.284 7.974 -2.765 508 1HD2 LEU 77 1HD2 LEU 77 13.090 9.471 -0.840 509 2HD2 LEU 77 2HD2 LEU 77 11.433 8.874 -0.592 510 3HD2 LEU 77 3HD2 LEU 77 12.791 7.726 -0.661 511 H PHE 78 H PHE 78 9.241 10.853 -1.573 512 HA PHE 78 HA PHE 78 6.809 11.766 -2.605 513 1HB PHE 78 1HB PHE 78 7.623 11.883 -0.221 514 2HB PHE 78 2HB PHE 78 8.884 13.020 -0.708 515 HD1 PHE 78 1HD PHE 78 5.675 12.716 0.664 516 HD2 PHE 78 2HD PHE 78 7.968 15.197 -1.904 517 HE1 PHE 78 1HE PHE 78 4.103 14.622 1.102 518 HE2 PHE 78 2HE PHE 78 6.396 17.103 -1.466 519 HZ PHE 78 HZ PHE 78 4.483 16.794 0.031 520 H ASP 79 H ASP 79 10.175 12.690 -3.204 521 HA ASP 79 HA ASP 79 9.566 15.250 -4.190 522 1HB ASP 79 1HB ASP 79 11.862 13.782 -3.573 523 2HB ASP 79 2HB ASP 79 11.960 13.953 -5.332 524 HD2 ASP 79 HD2 ASP 79 12.936 16.964 -3.074 525 H GLY 80 H GLY 80 10.685 12.163 -5.797 526 1HA GLY 80 1HA GLY 80 8.806 11.938 -7.757 527 2HA GLY 80 2HA GLY 80 9.944 13.097 -8.414 528 H THR 81 H THR 81 12.233 11.858 -6.800 529 HA THR 81 HA THR 81 13.394 10.324 -8.703 530 HB THR 81 HB THR 81 13.631 10.644 -5.721 531 HG1 THR 81 1HG THR 81 14.688 12.021 -7.323 532 1HG2 THR 81 1HG2 THR 81 15.347 8.661 -7.294 533 2HG2 THR 81 2HG2 THR 81 15.439 9.028 -5.555 534 3HG2 THR 81 3HG2 THR 81 14.039 8.143 -6.206 535 H ARG 82 H ARG 82 13.864 8.011 -8.895 536 HA ARG 82 HA ARG 82 11.414 6.563 -8.404 537 1HB ARG 82 1HB ARG 82 13.539 6.522 -10.455 538 2HB ARG 82 2HB ARG 82 13.059 4.898 -9.933 539 1HG ARG 82 1HG ARG 82 10.624 5.731 -10.273 540 2HG ARG 82 2HG ARG 82 11.340 7.079 -11.172 541 1HD ARG 82 1HD ARG 82 10.950 5.538 -12.882 542 2HD ARG 82 2HD ARG 82 12.620 5.137 -12.460 543 HE ARG 82 HE ARG 82 10.190 3.564 -11.776 544 1HH1 ARG 82 1HH1 ARG 82 13.687 3.920 -11.612 545 2HH1 ARG 82 2HH1 ARG 82 13.961 2.274 -11.151 546 1HH2 ARG 82 1HH2 ARG 82 10.552 1.391 -11.165 547 2HH2 ARG 82 2HH2 ARG 82 12.167 0.825 -10.895 548 H TRP 83 H TRP 83 11.948 6.291 -6.059 549 HA TRP 83 HA TRP 83 14.079 4.308 -5.644 550 1HB TRP 83 1HB TRP 83 14.473 6.430 -4.518 551 2HB TRP 83 2HB TRP 83 12.912 6.311 -3.703 552 HD1 TRP 83 HD TRP 83 12.949 3.436 -2.504 553 HE1 TRP 83 1HE TRP 83 14.658 2.609 -0.672 554 HE3 TRP 83 3HE TRP 83 16.503 6.940 -3.481 555 HZ2 TRP 83 2HZ TRP 83 17.246 3.493 0.146 556 HZ3 TRP 83 3HZ TRP 83 18.590 6.889 -2.118 557 HH2 TRP 83 HH TRP 83 18.991 5.242 -0.356 558 H GLY 84 H GLY 84 11.295 5.298 -3.578 559 1HA GLY 84 1HA GLY 84 9.617 4.107 -2.676 560 2HA GLY 84 2HA GLY 84 9.486 3.309 -4.230 561 H THR 85 H THR 85 9.587 2.552 -1.104 562 HA THR 85 HA THR 85 10.919 1.056 0.133 563 HB THR 85 HB THR 85 8.960 -0.201 -1.827 564 HG1 THR 85 1HG THR 85 8.606 1.251 0.204 565 1HG2 THR 85 1HG2 THR 85 10.181 -2.174 -1.352 566 2HG2 THR 85 2HG2 THR 85 10.740 -1.560 0.223 567 3HG2 THR 85 3HG2 THR 85 9.059 -2.111 0.028 568 H VAL 86 H VAL 86 10.798 -0.775 -2.959 569 HA VAL 86 HA VAL 86 12.490 -1.359 -4.323 570 HB VAL 86 HB VAL 86 13.671 0.735 -3.027 571 1HG1 VAL 86 1HG1 VAL 86 15.782 0.111 -2.134 572 2HG1 VAL 86 2HG1 VAL 86 14.584 -0.950 -1.352 573 3HG1 VAL 86 3HG1 VAL 86 15.597 -1.575 -2.676 574 1HG2 VAL 86 1HG2 VAL 86 14.781 0.884 -4.971 575 2HG2 VAL 86 2HG2 VAL 86 15.565 -0.699 -4.743 576 3HG2 VAL 86 3HG2 VAL 86 13.927 -0.607 -5.437 577 H ASP 87 H ASP 87 12.841 -1.783 -0.769 578 HA ASP 87 HA ASP 87 12.885 -4.597 -1.183 579 1HB ASP 87 1HB ASP 87 15.331 -3.665 -1.339 580 2HB ASP 87 2HB ASP 87 15.193 -3.435 0.410 581 HD2 ASP 87 HD2 ASP 87 16.359 -6.630 0.717 582 H CYS 88 H CYS 88 10.940 -4.471 0.137 583 HA CYS 88 HA CYS 88 10.892 -3.051 2.566 584 1HB CYS 88 1HB CYS 88 9.018 -4.123 0.938 585 2HB CYS 88 2HB CYS 88 9.031 -5.323 2.234 586 H THR 89 H THR 89 13.197 -4.119 3.054 587 HA THR 89 HA THR 89 12.784 -6.692 4.415 588 HB THR 89 HB THR 89 14.544 -6.445 2.566 589 HG1 THR 89 1HG THR 89 16.149 -7.452 4.090 590 1HG2 THR 89 1HG2 THR 89 16.741 -5.448 3.593 591 2HG2 THR 89 2HG2 THR 89 15.565 -4.303 2.910 592 3HG2 THR 89 3HG2 THR 89 15.655 -4.540 4.671 593 H THR 90 H THR 90 12.950 -3.328 4.956 594 HA THR 90 HA THR 90 13.270 -3.849 7.807 595 HB THR 90 HB THR 90 14.977 -1.906 6.167 596 HG1 THR 90 1HG THR 90 16.597 -3.386 6.928 597 1HG2 THR 90 1HG2 THR 90 14.589 -2.283 9.172 598 2HG2 THR 90 2HG2 THR 90 16.112 -1.654 8.500 599 3HG2 THR 90 3HG2 THR 90 14.594 -0.759 8.250 600 H ALA 91 H ALA 91 12.544 -1.506 5.166 601 HA ALA 91 HA ALA 91 11.076 0.191 6.925 602 1HB ALA 91 1HB ALA 91 12.240 0.398 4.414 603 2HB ALA 91 2HB ALA 91 10.499 0.375 4.042 604 3HB ALA 91 3HB ALA 91 11.156 1.599 5.158 605 H ALA 92 H ALA 92 8.858 0.287 7.292 606 HA ALA 92 HA ALA 92 7.413 -2.110 6.524 607 1HB ALA 92 1HB ALA 92 6.383 -1.819 8.507 608 2HB ALA 92 2HB ALA 92 7.557 -0.518 8.825 609 3HB ALA 92 3HB ALA 92 5.969 -0.131 8.121 610 H CYS 93 H CYS 93 6.457 -2.080 4.546 611 HA CYS 93 HA CYS 93 5.672 0.434 3.407 612 1HB CYS 93 1HB CYS 93 5.051 -2.247 2.217 613 2HB CYS 93 2HB CYS 93 5.355 -0.708 1.407 614 H GLN 94 H GLN 94 3.639 1.317 3.636 615 HA GLN 94 HA GLN 94 1.671 -0.314 4.966 616 1HB GLN 94 1HB GLN 94 1.856 2.648 4.324 617 2HB GLN 94 2HB GLN 94 0.408 1.922 5.049 618 1HG GLN 94 1HG GLN 94 1.517 1.410 7.050 619 2HG GLN 94 2HG GLN 94 3.119 1.424 6.296 620 1HE2 GLN 94 1HE2 GLN 94 3.557 3.644 5.170 621 2HE2 GLN 94 2HE2 GLN 94 3.308 5.044 6.160 622 H VAL 95 H VAL 95 0.316 -1.534 3.727 623 HA VAL 95 HA VAL 95 -0.160 -0.730 0.987 624 HB VAL 95 HB VAL 95 -1.272 -3.132 2.425 625 1HG1 VAL 95 1HG1 VAL 95 -0.735 -4.003 -0.037 626 2HG1 VAL 95 2HG1 VAL 95 -2.250 -3.154 0.354 627 3HG1 VAL 95 3HG1 VAL 95 -0.907 -2.274 -0.414 628 1HG2 VAL 95 1HG2 VAL 95 1.032 -3.293 2.939 629 2HG2 VAL 95 2HG2 VAL 95 0.791 -4.332 1.514 630 3HG2 VAL 95 3HG2 VAL 95 1.517 -2.718 1.326 631 H GLY 96 H GLY 96 -1.725 0.741 0.578 632 1HA GLY 96 1HA GLY 96 -4.376 0.307 1.632 633 2HA GLY 96 2HA GLY 96 -3.592 1.744 2.259 634 H LEU 97 H LEU 97 -5.866 2.156 0.805 635 HA LEU 97 HA LEU 97 -4.916 2.880 -1.872 636 1HB LEU 97 1HB LEU 97 -7.680 3.227 -1.722 637 2HB LEU 97 2HB LEU 97 -6.784 1.963 -2.581 638 HG LEU 97 HG LEU 97 -7.824 1.806 0.261 639 1HD1 LEU 97 1HD1 LEU 97 -8.837 0.007 -1.875 640 2HD1 LEU 97 2HD1 LEU 97 -9.669 0.709 -0.467 641 3HD1 LEU 97 3HD1 LEU 97 -9.378 1.701 -1.915 642 1HD2 LEU 97 1HD2 LEU 97 -6.445 0.103 0.584 643 2HD2 LEU 97 2HD2 LEU 97 -7.174 -0.751 -0.797 644 3HD2 LEU 97 3HD2 LEU 97 -5.772 0.314 -1.050 645 H SER 98 H SER 98 -4.337 4.958 -2.156 646 HA SER 98 HA SER 98 -5.459 6.868 -0.274 647 1HB SER 98 1HB SER 98 -3.509 8.118 -0.468 648 2HB SER 98 2HB SER 98 -2.877 6.477 -0.677 649 HG SER 98 HG SER 98 -3.439 7.104 -3.113 650 H ASP 99 H ASP 99 -6.319 8.912 -1.069 651 HA ASP 99 HA ASP 99 -7.995 8.775 -3.122 652 1HB ASP 99 1HB ASP 99 -6.483 11.354 -2.671 653 2HB ASP 99 2HB ASP 99 -8.212 11.133 -2.971 654 HD2 ASP 99 HD2 ASP 99 -8.741 11.455 0.378 655 H ALA 100 H ALA 100 -7.911 10.041 -5.311 656 HA ALA 100 HA ALA 100 -5.538 9.217 -6.708 657 1HB ALA 100 1HB ALA 100 -6.818 9.529 -8.638 658 2HB ALA 100 2HB ALA 100 -8.061 9.115 -7.433 659 3HB ALA 100 3HB ALA 100 -7.805 10.812 -7.900 660 H ALA 101 H ALA 101 -6.095 11.744 -4.693 661 HA ALA 101 HA ALA 101 -4.933 13.781 -6.419 662 1HB ALA 101 1HB ALA 101 -5.296 15.133 -4.219 663 2HB ALA 101 2HB ALA 101 -6.722 14.644 -5.163 664 3HB ALA 101 3HB ALA 101 -6.265 13.732 -3.705 665 H GLY 102 H GLY 102 -4.070 11.347 -4.085 666 1HA GLY 102 1HA GLY 102 -1.895 10.706 -3.640 667 2HA GLY 102 2HA GLY 102 -1.304 12.270 -4.167 668 H ASN 103 H ASN 103 -3.778 11.229 -1.707 669 HA ASN 103 HA ASN 103 -2.093 12.345 0.340 670 1HB ASN 103 1HB ASN 103 -3.900 13.768 1.254 671 2HB ASN 103 2HB ASN 103 -3.521 14.268 -0.402 672 1HD2 ASN 103 1HD2 ASN 103 -4.890 13.582 -2.115 673 2HD2 ASN 103 2HD2 ASN 103 -6.567 13.235 -1.846 674 H GLY 104 H GLY 104 -3.157 11.844 2.590 675 1HA GLY 104 1HA GLY 104 -4.628 10.605 3.898 676 2HA GLY 104 2HA GLY 104 -5.147 9.696 2.490 677 HA PRO 105 HA PRO 105 -1.124 7.911 4.326 678 1HB PRO 105 1HB PRO 105 -1.012 8.000 7.053 679 2HB PRO 105 2HB PRO 105 -0.156 9.137 6.016 680 1HG PRO 105 1HG PRO 105 -2.629 9.493 7.584 681 2HG PRO 105 2HG PRO 105 -1.519 10.756 6.936 682 1HD PRO 105 1HD PRO 105 -4.093 9.975 5.954 683 2HD PRO 105 2HD PRO 105 -2.972 11.107 5.189 684 H GLU 106 H GLU 106 -3.410 6.772 3.523 685 HA GLU 106 HA GLU 106 -4.132 4.943 5.627 686 1HB GLU 106 1HB GLU 106 -5.325 5.919 3.131 687 2HB GLU 106 2HB GLU 106 -5.497 4.165 3.312 688 1HG GLU 106 1HG GLU 106 -6.980 4.383 5.024 689 2HG GLU 106 2HG GLU 106 -6.049 5.674 5.799 690 HE2 GLU 106 HE2 GLU 106 -8.479 6.885 2.870 691 H GLY 107 H GLY 107 -3.313 2.892 5.824 692 1HA GLY 107 1HA GLY 107 -2.761 1.050 3.945 693 2HA GLY 107 2HA GLY 107 -1.312 2.034 3.915 694 H VAL 108 H VAL 108 -1.816 -0.814 4.862 695 HA VAL 108 HA VAL 108 -1.063 -0.482 7.677 696 HB VAL 108 HB VAL 108 -3.087 -1.865 6.931 697 1HG1 VAL 108 1HG1 VAL 108 -2.584 -4.200 6.281 698 2HG1 VAL 108 2HG1 VAL 108 -2.064 -3.026 5.047 699 3HG1 VAL 108 3HG1 VAL 108 -0.863 -3.773 6.127 700 1HG2 VAL 108 1HG2 VAL 108 -1.541 -1.974 9.126 701 2HG2 VAL 108 2HG2 VAL 108 -2.931 -3.054 8.869 702 3HG2 VAL 108 3HG2 VAL 108 -1.283 -3.627 8.521 703 H ALA 109 H ALA 109 0.991 -0.944 8.323 704 HA ALA 109 HA ALA 109 2.971 -1.379 6.379 705 1HB ALA 109 1HB ALA 109 2.757 -1.031 9.309 706 2HB ALA 109 2HB ALA 109 4.150 -2.007 8.783 707 3HB ALA 109 3HB ALA 109 3.934 -0.353 8.160 708 H ILE 110 H ILE 110 2.179 -3.275 5.212 709 HA ILE 110 HA ILE 110 2.449 -5.758 6.749 710 HB ILE 110 HB ILE 110 0.435 -4.887 5.093 711 1HG1 ILE 110 1HG1 ILE 110 -0.074 -7.481 5.105 712 2HG1 ILE 110 2HG1 ILE 110 1.263 -7.507 6.268 713 1HG2 ILE 110 1HG2 ILE 110 0.498 -6.439 3.150 714 2HG2 ILE 110 2HG2 ILE 110 1.720 -5.146 3.078 715 3HG2 ILE 110 3HG2 ILE 110 2.197 -6.797 3.539 716 1HD1 ILE 110 1HD1 ILE 110 -1.451 -6.220 6.473 717 2HD1 ILE 110 2HD1 ILE 110 -0.529 -7.118 7.701 718 3HD1 ILE 110 3HD1 ILE 110 -0.087 -5.440 7.308 719 H SER 111 H SER 111 3.917 -7.359 6.117 720 HA SER 111 HA SER 111 5.161 -7.865 3.931 721 1HB SER 111 1HB SER 111 7.349 -6.400 4.096 722 2HB SER 111 2HB SER 111 5.929 -5.775 3.239 723 HG SER 111 HG SER 111 5.970 -4.138 4.605 724 H PHE 112 H PHE 112 6.360 -6.476 7.077 725 HA PHE 112 HA PHE 112 8.193 -7.372 8.214 726 1HB PHE 112 1HB PHE 112 5.440 -8.464 8.633 727 2HB PHE 112 2HB PHE 112 6.701 -9.413 9.426 728 HD1 PHE 112 1HD PHE 112 4.379 -7.005 10.033 729 HD2 PHE 112 2HD PHE 112 8.535 -7.670 10.577 730 HE1 PHE 112 1HE PHE 112 4.391 -5.369 11.937 731 HE2 PHE 112 2HE PHE 112 8.548 -6.034 12.480 732 HZ PHE 112 HZ PHE 112 6.477 -4.903 13.138 733 H ASN 113 H ASN 113 9.589 -8.283 6.520 734 HA ASN 113 HA ASN 113 9.132 -11.049 5.907 735 1HB ASN 113 1HB ASN 113 9.944 -9.743 4.067 736 2HB ASN 113 2HB ASN 113 11.200 -8.975 5.050 737 1HD2 ASN 113 1HD2 ASN 113 12.974 -10.251 5.779 738 2HD2 ASN 113 2HD2 ASN 113 13.515 -11.633 4.886 739 6H NCZ 130 6H NCZ 130 1.638 14.058 0.388 740 6H1 NCZ 130 6H1 NCZ 130 -0.212 11.828 0.710 741 5H1 NCZ 130 5H1 NCZ 130 1.185 12.426 2.875 742 4H1 NCZ 130 4H1 NCZ 130 3.719 11.551 2.241 743 5H NCZ 130 5H NCZ 130 3.921 11.998 -1.359 744 3H1 NCZ 130 3H1 NCZ 130 3.444 10.298 0.166 745 2H1 NCZ 130 2H1 NCZ 130 1.888 11.693 -1.201 746 2H NCZ 130 2H NCZ 130 0.444 8.686 -4.315 747 8H NCZ 130 8H NCZ 130 -0.503 5.623 -4.103 748 7H NCZ 130 7H NCZ 130 -1.347 4.468 -2.088 749 3H NCZ 130 3H NCZ 130 -0.852 5.138 2.540 750 1H17 NCZ 130 1H17 NCZ 130 1.184 8.603 4.539 751 2H17 NCZ 130 2H17 NCZ 130 1.918 8.809 2.931 752 3H17 NCZ 130 3H17 NCZ 130 0.218 9.262 3.198 753 1H18 NCZ 130 1H18 NCZ 130 -1.473 3.431 -0.587 754 2H18 NCZ 130 2H18 NCZ 130 -1.459 3.329 1.187 755 3H18 NCZ 130 3H18 NCZ 130 -2.731 4.259 0.361 756 1H NCZ 130 1H NCZ 130 1.314 8.350 0.817 Start of MODEL 39 1 H ALA 1 H ALA 1 -5.591 -0.644 8.404 2 HA ALA 1 HA ALA 1 -5.112 1.855 9.778 3 1HB ALA 1 1HB ALA 1 -4.291 1.597 7.121 4 2HB ALA 1 2HB ALA 1 -5.895 2.357 7.000 5 3HB ALA 1 3HB ALA 1 -4.621 3.122 7.979 6 H ALA 2 H ALA 2 -6.928 1.026 11.024 7 HA ALA 2 HA ALA 2 -9.083 1.062 11.545 8 1HB ALA 2 1HB ALA 2 -10.414 2.613 10.529 9 2HB ALA 2 2HB ALA 2 -8.900 3.065 9.710 10 3HB ALA 2 3HB ALA 2 -10.065 1.996 8.895 11 HA PRO 3 HA PRO 3 -10.999 -2.391 9.705 12 1HB PRO 3 1HB PRO 3 -13.616 -1.815 9.172 13 2HB PRO 3 2HB PRO 3 -13.018 -2.175 10.790 14 1HG PRO 3 1HG PRO 3 -13.739 0.412 9.567 15 2HG PRO 3 2HG PRO 3 -13.603 -0.006 11.314 16 1HD PRO 3 1HD PRO 3 -11.781 1.495 9.692 17 2HD PRO 3 2HD PRO 3 -11.524 0.977 11.363 18 H THR 4 H THR 4 -10.509 0.216 7.788 19 HA THR 4 HA THR 4 -11.764 -0.404 5.419 20 HB THR 4 HB THR 4 -10.018 1.006 4.437 21 HG1 THR 4 1HG THR 4 -8.056 1.292 5.781 22 1HG2 THR 4 1HG2 THR 4 -11.329 1.736 6.887 23 2HG2 THR 4 2HG2 THR 4 -9.643 2.291 7.017 24 3HG2 THR 4 3HG2 THR 4 -10.656 2.829 5.655 25 H ALA 5 H ALA 5 -10.090 -0.946 3.380 26 HA ALA 5 HA ALA 5 -10.000 -3.689 3.343 27 1HB ALA 5 1HB ALA 5 -8.013 -2.124 1.729 28 2HB ALA 5 2HB ALA 5 -9.132 -3.412 1.223 29 3HB ALA 5 3HB ALA 5 -9.742 -1.765 1.507 30 H THR 6 H THR 6 -8.733 -5.179 4.333 31 HA THR 6 HA THR 6 -6.054 -4.296 5.181 32 HB THR 6 HB THR 6 -6.645 -6.107 7.075 33 HG1 THR 6 1HG THR 6 -8.888 -6.340 7.236 34 1HG2 THR 6 1HG2 THR 6 -7.771 -3.264 6.949 35 2HG2 THR 6 2HG2 THR 6 -7.819 -4.270 8.417 36 3HG2 THR 6 3HG2 THR 6 -6.255 -3.782 7.724 37 H VAL 7 H VAL 7 -4.350 -5.742 4.950 38 HA VAL 7 HA VAL 7 -4.861 -7.774 2.967 39 HB VAL 7 HB VAL 7 -2.458 -6.472 4.196 40 1HG1 VAL 7 1HG1 VAL 7 -2.582 -9.229 3.276 41 2HG1 VAL 7 2HG1 VAL 7 -1.463 -8.261 2.286 42 3HG1 VAL 7 3HG1 VAL 7 -1.246 -8.344 4.051 43 1HG2 VAL 7 1HG2 VAL 7 -3.236 -5.253 2.362 44 2HG2 VAL 7 2HG2 VAL 7 -1.954 -6.266 1.658 45 3HG2 VAL 7 3HG2 VAL 7 -3.663 -6.715 1.443 46 H THR 8 H THR 8 -5.356 -9.843 3.462 47 HA THR 8 HA THR 8 -5.419 -10.753 6.119 48 HB THR 8 HB THR 8 -5.891 -11.805 3.348 49 HG1 THR 8 1HG THR 8 -7.814 -11.423 4.382 50 1HG2 THR 8 1HG2 THR 8 -4.469 -13.600 4.578 51 2HG2 THR 8 2HG2 THR 8 -5.800 -13.680 5.757 52 3HG2 THR 8 3HG2 THR 8 -6.093 -14.106 4.055 53 HA PRO 9 HA PRO 9 -1.517 -13.159 5.245 54 1HB PRO 9 1HB PRO 9 -0.394 -13.232 2.755 55 2HB PRO 9 2HB PRO 9 -1.523 -14.454 3.340 56 1HG PRO 9 1HG PRO 9 -1.952 -12.221 1.461 57 2HG PRO 9 2HG PRO 9 -2.935 -13.713 1.675 58 1HD PRO 9 1HD PRO 9 -3.522 -11.051 2.552 59 2HD PRO 9 2HD PRO 9 -4.445 -12.513 2.926 60 H SER 10 H SER 10 -1.595 -10.684 6.192 61 HA SER 10 HA SER 10 0.530 -9.248 4.908 62 1HB SER 10 1HB SER 10 -0.084 -7.421 6.246 63 2HB SER 10 2HB SER 10 -1.630 -8.248 5.975 64 HG SER 10 HG SER 10 -1.801 -8.476 8.087 65 H SER 11 H SER 11 0.367 -11.855 6.972 66 HA SER 11 HA SER 11 2.369 -10.973 8.820 67 1HB SER 11 1HB SER 11 0.815 -12.455 9.778 68 2HB SER 11 2HB SER 11 0.832 -13.547 8.379 69 HG SER 11 HG SER 11 2.418 -14.637 9.304 70 H GLY 12 H GLY 12 4.563 -11.170 8.505 71 1HA GLY 12 1HA GLY 12 6.428 -11.474 7.218 72 2HA GLY 12 2HA GLY 12 6.073 -13.142 7.619 73 H LEU 13 H LEU 13 4.386 -10.809 5.404 74 HA LEU 13 HA LEU 13 3.899 -12.744 3.458 75 1HB LEU 13 1HB LEU 13 3.463 -10.741 2.008 76 2HB LEU 13 2HB LEU 13 2.516 -10.868 3.502 77 HG LEU 13 HG LEU 13 4.723 -9.322 4.214 78 1HD1 LEU 13 1HD1 LEU 13 3.708 -8.331 1.538 79 2HD1 LEU 13 2HD1 LEU 13 4.937 -7.578 2.579 80 3HD1 LEU 13 3HD1 LEU 13 5.273 -9.138 1.790 81 1HD2 LEU 13 1HD2 LEU 13 3.012 -7.435 4.152 82 2HD2 LEU 13 2HD2 LEU 13 1.868 -8.638 3.508 83 3HD2 LEU 13 3HD2 LEU 13 2.596 -8.875 5.115 84 H SER 14 H SER 14 4.733 -11.727 1.000 85 HA SER 14 HA SER 14 7.627 -11.700 1.230 86 1HB SER 14 1HB SER 14 6.347 -14.007 0.595 87 2HB SER 14 2HB SER 14 6.492 -13.300 -1.025 88 HG SER 14 HG SER 14 8.435 -14.417 0.639 89 H ASP 15 H ASP 15 8.706 -10.772 -0.705 90 HA ASP 15 HA ASP 15 7.335 -8.574 -1.664 91 1HB ASP 15 1HB ASP 15 9.312 -8.678 -3.431 92 2HB ASP 15 2HB ASP 15 9.649 -8.306 -1.733 93 HD2 ASP 15 HD2 ASP 15 11.021 -11.589 -1.328 94 H GLY 16 H GLY 16 5.328 -9.492 -2.612 95 1HA GLY 16 1HA GLY 16 4.586 -9.561 -4.958 96 2HA GLY 16 2HA GLY 16 5.777 -10.820 -5.220 97 H THR 17 H THR 17 3.852 -10.517 -2.211 98 HA THR 17 HA THR 17 2.699 -13.141 -2.802 99 HB THR 17 HB THR 17 3.363 -11.510 -0.341 100 HG1 THR 17 1HG THR 17 4.555 -13.376 -1.527 101 1HG2 THR 17 1HG2 THR 17 1.982 -12.852 1.080 102 2HG2 THR 17 2HG2 THR 17 0.882 -12.359 -0.229 103 3HG2 THR 17 3HG2 THR 17 1.596 -13.991 -0.235 104 H VAL 18 H VAL 18 0.598 -13.482 -3.252 105 HA VAL 18 HA VAL 18 -1.025 -11.198 -3.747 106 HB VAL 18 HB VAL 18 -2.048 -14.011 -3.686 107 1HG1 VAL 18 1HG1 VAL 18 -2.980 -11.528 -4.651 108 2HG1 VAL 18 2HG1 VAL 18 -2.560 -12.489 -6.088 109 3HG1 VAL 18 3HG1 VAL 18 -3.709 -13.133 -4.890 110 1HG2 VAL 18 1HG2 VAL 18 -0.276 -14.715 -4.884 111 2HG2 VAL 18 2HG2 VAL 18 -1.020 -13.806 -6.223 112 3HG2 VAL 18 3HG2 VAL 18 0.265 -13.058 -5.243 113 H VAL 19 H VAL 19 -2.112 -10.078 -2.223 114 HA VAL 19 HA VAL 19 -3.089 -11.613 0.086 115 HB VAL 19 HB VAL 19 -2.744 -9.637 1.438 116 1HG1 VAL 19 1HG1 VAL 19 -0.561 -11.033 0.055 117 2HG1 VAL 19 2HG1 VAL 19 -0.079 -9.463 0.741 118 3HG1 VAL 19 3HG1 VAL 19 -0.802 -10.707 1.789 119 1HG2 VAL 19 1HG2 VAL 19 -1.764 -8.377 -1.139 120 2HG2 VAL 19 2HG2 VAL 19 -3.104 -7.844 -0.096 121 3HG2 VAL 19 3HG2 VAL 19 -1.422 -7.706 0.474 122 H LYS 20 H LYS 20 -5.095 -10.673 1.085 123 HA LYS 20 HA LYS 20 -6.761 -9.529 -1.042 124 1HB LYS 20 1HB LYS 20 -7.431 -11.373 1.253 125 2HB LYS 20 2HB LYS 20 -8.657 -10.566 0.259 126 1HG LYS 20 1HG LYS 20 -8.140 -11.826 -1.625 127 2HG LYS 20 2HG LYS 20 -6.461 -12.097 -1.129 128 1HD LYS 20 1HD LYS 20 -7.163 -14.160 -0.514 129 2HD LYS 20 2HD LYS 20 -7.904 -13.365 0.884 130 1HE LYS 20 1HE LYS 20 -9.985 -13.800 0.114 131 2HE LYS 20 2HE LYS 20 -9.609 -13.150 -1.489 132 1HZ LYS 20 1HZ LYS 20 -10.123 -15.454 -1.633 133 2HZ LYS 20 2HZ LYS 20 -8.533 -15.273 -1.962 134 3HZ LYS 20 3HZ LYS 20 -9.004 -15.854 -0.510 135 H VAL 21 H VAL 21 -7.276 -7.427 -0.798 136 HA VAL 21 HA VAL 21 -7.051 -6.308 1.894 137 HB VAL 21 HB VAL 21 -7.448 -4.622 -0.522 138 1HG1 VAL 21 1HG1 VAL 21 -5.268 -4.117 1.420 139 2HG1 VAL 21 2HG1 VAL 21 -6.480 -3.007 0.734 140 3HG1 VAL 21 3HG1 VAL 21 -6.917 -4.081 2.087 141 1HG2 VAL 21 1HG2 VAL 21 -5.859 -5.813 -1.637 142 2HG2 VAL 21 2HG2 VAL 21 -4.771 -4.819 -0.639 143 3HG2 VAL 21 3HG2 VAL 21 -5.154 -6.486 -0.146 144 H ALA 22 H ALA 22 -9.053 -7.109 2.735 145 HA ALA 22 HA ALA 22 -11.388 -5.818 1.495 146 1HB ALA 22 1HB ALA 22 -11.120 -8.526 2.854 147 2HB ALA 22 2HB ALA 22 -12.680 -7.763 2.463 148 3HB ALA 22 3HB ALA 22 -11.551 -8.202 1.158 149 H GLY 23 H GLY 23 -12.596 -4.503 2.814 150 1HA GLY 23 1HA GLY 23 -12.851 -4.778 5.582 151 2HA GLY 23 2HA GLY 23 -11.525 -3.671 5.285 152 H ALA 24 H ALA 24 -13.155 -2.186 6.455 153 HA ALA 24 HA ALA 24 -14.600 -0.735 4.396 154 1HB ALA 24 1HB ALA 24 -15.849 -1.950 6.880 155 2HB ALA 24 2HB ALA 24 -16.569 -0.558 6.035 156 3HB ALA 24 3HB ALA 24 -16.373 -2.110 5.187 157 H GLY 25 H GLY 25 -14.905 1.513 4.949 158 1HA GLY 25 1HA GLY 25 -14.767 3.190 6.710 159 2HA GLY 25 2HA GLY 25 -13.356 2.354 7.327 160 H LEU 26 H LEU 26 -13.582 2.298 3.861 161 HA LEU 26 HA LEU 26 -11.521 4.381 3.753 162 1HB LEU 26 1HB LEU 26 -11.297 1.843 3.003 163 2HB LEU 26 2HB LEU 26 -11.962 2.502 1.499 164 HG LEU 26 HG LEU 26 -9.688 2.616 1.135 165 1HD1 LEU 26 1HD1 LEU 26 -10.771 5.212 2.126 166 2HD1 LEU 26 2HD1 LEU 26 -9.031 5.111 1.765 167 3HD1 LEU 26 3HD1 LEU 26 -10.224 4.736 0.500 168 1HD2 LEU 26 1HD2 LEU 26 -8.759 1.874 3.149 169 2HD2 LEU 26 2HD2 LEU 26 -8.083 3.507 2.926 170 3HD2 LEU 26 3HD2 LEU 26 -9.424 3.244 4.072 171 H GLN 27 H GLN 27 -12.077 4.163 0.665 172 HA GLN 27 HA GLN 27 -13.452 6.508 0.458 173 1HB GLN 27 1HB GLN 27 -12.919 4.237 -1.458 174 2HB GLN 27 2HB GLN 27 -13.875 5.634 -1.985 175 1HG GLN 27 1HG GLN 27 -10.981 5.380 -1.525 176 2HG GLN 27 2HG GLN 27 -11.862 6.583 -2.478 177 1HE2 GLN 27 1HE2 GLN 27 -12.785 8.389 -1.412 178 2HE2 GLN 27 2HE2 GLN 27 -12.140 8.993 0.076 179 H ALA 28 H ALA 28 -15.393 6.609 1.651 180 HA ALA 28 HA ALA 28 -17.339 4.622 1.665 181 1HB ALA 28 1HB ALA 28 -18.398 6.069 3.063 182 2HB ALA 28 2HB ALA 28 -16.882 6.996 2.963 183 3HB ALA 28 3HB ALA 28 -18.261 7.428 1.923 184 H GLY 29 H GLY 29 -17.392 3.928 -0.614 185 1HA GLY 29 1HA GLY 29 -18.735 3.775 -2.451 186 2HA GLY 29 2HA GLY 29 -19.493 5.302 -2.045 187 H THR 30 H THR 30 -16.149 5.760 -1.793 188 HA THR 30 HA THR 30 -16.116 7.079 -4.396 189 HB THR 30 HB THR 30 -13.737 7.447 -2.764 190 HG1 THR 30 1HG THR 30 -14.899 8.105 -0.834 191 1HG2 THR 30 1HG2 THR 30 -14.699 9.199 -4.267 192 2HG2 THR 30 2HG2 THR 30 -16.169 9.241 -3.265 193 3HG2 THR 30 3HG2 THR 30 -14.614 9.780 -2.586 194 H ALA 31 H ALA 31 -13.535 7.106 -5.157 195 HA ALA 31 HA ALA 31 -12.651 4.329 -5.218 196 1HB ALA 31 1HB ALA 31 -12.826 5.865 -7.805 197 2HB ALA 31 2HB ALA 31 -12.784 4.107 -7.532 198 3HB ALA 31 3HB ALA 31 -14.268 5.026 -7.185 199 H TYR 32 H TYR 32 -10.573 4.409 -4.539 200 HA TYR 32 HA TYR 32 -9.004 6.762 -5.358 201 1HB TYR 32 1HB TYR 32 -9.284 5.021 -2.882 202 2HB TYR 32 2HB TYR 32 -7.697 5.727 -3.196 203 HD1 TYR 32 1HD TYR 32 -10.309 7.824 -4.414 204 HD2 TYR 32 2HD TYR 32 -8.220 6.726 -0.846 205 HE1 TYR 32 1HE TYR 32 -11.064 9.981 -3.301 206 HE2 TYR 32 2HE TYR 32 -8.981 8.887 0.256 207 HH TYR 32 HH TYR 32 -11.187 11.088 -1.426 208 H ASP 33 H ASP 33 -6.480 6.097 -5.027 209 HA ASP 33 HA ASP 33 -6.193 3.855 -6.822 210 1HB ASP 33 1HB ASP 33 -4.687 6.319 -6.167 211 2HB ASP 33 2HB ASP 33 -3.650 4.906 -6.412 212 HD2 ASP 33 HD2 ASP 33 -3.960 5.163 -9.800 213 H VAL 34 H VAL 34 -5.755 1.865 -5.859 214 HA VAL 34 HA VAL 34 -4.783 1.789 -3.156 215 HB VAL 34 HB VAL 34 -6.358 0.187 -4.823 216 1HG1 VAL 34 1HG1 VAL 34 -4.128 -0.805 -5.565 217 2HG1 VAL 34 2HG1 VAL 34 -3.979 -1.449 -3.914 218 3HG1 VAL 34 3HG1 VAL 34 -5.341 -1.949 -4.944 219 1HG2 VAL 34 1HG2 VAL 34 -7.069 0.150 -2.666 220 2HG2 VAL 34 2HG2 VAL 34 -6.095 -1.341 -2.610 221 3HG2 VAL 34 3HG2 VAL 34 -5.417 0.191 -2.004 222 H GLY 35 H GLY 35 -2.738 1.186 -2.452 223 1HA GLY 35 1HA GLY 35 -0.803 -0.090 -4.021 224 2HA GLY 35 2HA GLY 35 -0.569 1.639 -4.187 225 H GLN 36 H GLN 36 1.305 -0.165 -2.917 226 HA GLN 36 HA GLN 36 0.933 0.340 -0.101 227 1HB GLN 36 1HB GLN 36 3.303 -0.935 -0.193 228 2HB GLN 36 2HB GLN 36 1.759 -1.803 -0.243 229 1HG GLN 36 1HG GLN 36 2.035 -2.401 -2.432 230 2HG GLN 36 2HG GLN 36 2.760 -0.849 -2.881 231 1HE2 GLN 36 1HE2 GLN 36 4.385 -1.811 -4.057 232 2HE2 GLN 36 2HE2 GLN 36 5.722 -2.648 -3.341 233 H CYS 37 H CYS 37 1.382 2.484 0.373 234 HA CYS 37 HA CYS 37 3.861 3.555 -0.745 235 1HB CYS 37 1HB CYS 37 1.546 4.692 -1.020 236 2HB CYS 37 2HB CYS 37 1.780 5.210 0.650 237 H ALA 38 H ALA 38 5.332 4.686 0.758 238 HA ALA 38 HA ALA 38 4.934 4.892 3.481 239 1HB ALA 38 1HB ALA 38 4.780 2.519 3.689 240 2HB ALA 38 2HB ALA 38 6.152 2.259 2.588 241 3HB ALA 38 3HB ALA 38 6.429 2.944 4.207 242 H TRP 39 H TRP 39 6.917 5.615 4.582 243 HA TRP 39 HA TRP 39 8.512 7.184 2.945 244 1HB TRP 39 1HB TRP 39 9.920 7.450 4.968 245 2HB TRP 39 2HB TRP 39 8.204 7.782 5.212 246 HD1 TRP 39 HD TRP 39 10.868 5.101 6.086 247 HE1 TRP 39 1HE TRP 39 10.119 3.674 8.178 248 HE3 TRP 39 3HE TRP 39 6.214 7.118 6.456 249 HZ2 TRP 39 2HZ TRP 39 7.719 3.553 9.716 250 HZ3 TRP 39 3HZ TRP 39 4.731 6.289 8.281 251 HH2 TRP 39 HH TRP 39 5.416 4.570 9.878 252 H VAL 40 H VAL 40 9.899 6.421 1.400 253 HA VAL 40 HA VAL 40 11.231 3.873 1.917 254 HB VAL 40 HB VAL 40 9.888 4.752 -0.247 255 1HG1 VAL 40 1HG1 VAL 40 11.634 6.557 -0.581 256 2HG1 VAL 40 2HG1 VAL 40 12.784 5.260 -0.985 257 3HG1 VAL 40 3HG1 VAL 40 11.332 5.508 -1.986 258 1HG2 VAL 40 1HG2 VAL 40 10.407 2.708 -1.009 259 2HG2 VAL 40 2HG2 VAL 40 12.145 3.087 -1.079 260 3HG2 VAL 40 3HG2 VAL 40 11.415 2.539 0.450 261 H ASP 41 H ASP 41 11.840 7.342 1.151 262 HA ASP 41 HA ASP 41 14.664 6.873 1.362 263 1HB ASP 41 1HB ASP 41 13.031 8.728 0.031 264 2HB ASP 41 2HB ASP 41 13.788 9.684 1.315 265 HD2 ASP 41 HD2 ASP 41 16.995 8.827 -0.184 266 H THR 42 H THR 42 15.311 9.497 2.546 267 HA THR 42 HA THR 42 15.147 8.819 5.289 268 HB THR 42 HB THR 42 16.124 11.192 3.648 269 HG1 THR 42 1HG THR 42 17.345 9.161 3.795 270 1HG2 THR 42 1HG2 THR 42 15.692 10.987 6.613 271 2HG2 THR 42 2HG2 THR 42 17.302 11.537 6.089 272 3HG2 THR 42 3HG2 THR 42 15.848 12.437 5.591 273 H GLY 43 H GLY 43 12.794 8.489 5.478 274 1HA GLY 43 1HA GLY 43 10.873 9.190 6.430 275 2HA GLY 43 2HA GLY 43 11.588 10.770 6.680 276 H VAL 44 H VAL 44 11.814 9.622 3.401 277 HA VAL 44 HA VAL 44 9.817 11.590 2.628 278 HB VAL 44 HB VAL 44 11.870 10.037 1.041 279 1HG1 VAL 44 1HG1 VAL 44 11.351 11.930 -0.654 280 2HG1 VAL 44 2HG1 VAL 44 10.216 10.565 -0.526 281 3HG1 VAL 44 3HG1 VAL 44 9.833 12.119 0.254 282 1HG2 VAL 44 1HG2 VAL 44 11.954 12.580 2.551 283 2HG2 VAL 44 2HG2 VAL 44 13.269 11.478 2.076 284 3HG2 VAL 44 3HG2 VAL 44 12.623 12.652 0.903 285 H LEU 45 H LEU 45 7.753 10.955 2.309 286 HA LEU 45 HA LEU 45 7.014 8.260 2.275 287 1HB LEU 45 1HB LEU 45 5.666 10.868 1.757 288 2HB LEU 45 2HB LEU 45 4.819 9.361 1.363 289 HG LEU 45 HG LEU 45 5.940 10.052 4.091 290 1HD1 LEU 45 1HD1 LEU 45 4.262 11.571 4.067 291 2HD1 LEU 45 2HD1 LEU 45 3.349 10.717 2.798 292 3HD1 LEU 45 3HD1 LEU 45 3.290 10.137 4.482 293 1HD2 LEU 45 1HD2 LEU 45 5.174 7.587 3.021 294 2HD2 LEU 45 2HD2 LEU 45 5.413 7.991 4.738 295 3HD2 LEU 45 3HD2 LEU 45 3.792 8.105 4.014 296 H ALA 46 H ALA 46 7.804 6.904 0.723 297 HA ALA 46 HA ALA 46 7.479 7.813 -2.055 298 1HB ALA 46 1HB ALA 46 9.256 5.604 -1.925 299 2HB ALA 46 2HB ALA 46 9.656 7.302 -2.282 300 3HB ALA 46 3HB ALA 46 9.726 6.703 -0.607 301 H CYS 47 H CYS 47 6.289 6.533 -3.455 302 HA CYS 47 HA CYS 47 4.940 4.292 -2.168 303 1HB CYS 47 1HB CYS 47 4.212 5.686 -4.744 304 2HB CYS 47 2HB CYS 47 3.235 4.520 -3.845 305 H ASN 48 H ASN 48 4.647 2.281 -3.501 306 HA ASN 48 HA ASN 48 7.098 1.701 -4.843 307 1HB ASN 48 1HB ASN 48 4.654 0.120 -3.987 308 2HB ASN 48 2HB ASN 48 5.811 -0.612 -5.106 309 1HD2 ASN 48 1HD2 ASN 48 6.410 1.689 -2.486 310 2HD2 ASN 48 2HD2 ASN 48 7.402 0.665 -1.503 311 HA PRO 49 HA PRO 49 5.416 1.835 -8.894 312 1HB PRO 49 1HB PRO 49 6.566 -0.282 -10.182 313 2HB PRO 49 2HB PRO 49 7.406 1.237 -9.886 314 1HG PRO 49 1HG PRO 49 7.654 -1.365 -8.516 315 2HG PRO 49 2HG PRO 49 8.822 0.006 -8.541 316 1HD PRO 49 1HD PRO 49 7.062 -0.797 -6.428 317 2HD PRO 49 2HD PRO 49 8.075 0.653 -6.464 318 H ALA 50 H ALA 50 4.684 -0.781 -6.928 319 HA ALA 50 HA ALA 50 2.625 -1.645 -8.834 320 1HB ALA 50 1HB ALA 50 2.795 -3.388 -6.587 321 2HB ALA 50 2HB ALA 50 3.304 -3.707 -8.263 322 3HB ALA 50 3HB ALA 50 4.462 -3.029 -7.095 323 H ASP 51 H ASP 51 2.846 0.762 -6.809 324 HA ASP 51 HA ASP 51 0.713 0.072 -5.021 325 1HB ASP 51 1HB ASP 51 1.880 1.576 -3.803 326 2HB ASP 51 2HB ASP 51 2.783 2.128 -5.223 327 HD2 ASP 51 HD2 ASP 51 -0.038 4.386 -3.745 328 H PHE 52 H PHE 52 0.673 0.511 -8.191 329 HA PHE 52 HA PHE 52 -1.424 2.554 -8.227 330 1HB PHE 52 1HB PHE 52 -0.103 1.244 -10.636 331 2HB PHE 52 2HB PHE 52 -0.738 2.888 -10.508 332 HD1 PHE 52 1HD PHE 52 2.033 1.791 -11.499 333 HD2 PHE 52 2HD PHE 52 0.696 3.562 -7.881 334 HE1 PHE 52 1HE PHE 52 4.354 2.635 -11.056 335 HE2 PHE 52 2HE PHE 52 3.018 4.407 -7.437 336 HZ PHE 52 HZ PHE 52 4.819 3.933 -9.030 337 H SER 53 H SER 53 -3.215 1.284 -7.553 338 HA SER 53 HA SER 53 -4.179 -0.427 -9.640 339 1HB SER 53 1HB SER 53 -2.964 -1.530 -7.301 340 2HB SER 53 2HB SER 53 -4.708 -1.821 -7.166 341 HG SER 53 HG SER 53 -2.860 -2.682 -9.196 342 H SER 54 H SER 54 -5.764 1.273 -9.885 343 HA SER 54 HA SER 54 -7.117 2.619 -8.087 344 1HB SER 54 1HB SER 54 -7.426 2.543 -10.623 345 2HB SER 54 2HB SER 54 -8.576 1.219 -10.364 346 HG SER 54 HG SER 54 -8.748 3.940 -9.386 347 H VAL 55 H VAL 55 -9.124 2.379 -6.848 348 HA VAL 55 HA VAL 55 -10.260 -0.252 -6.619 349 HB VAL 55 HB VAL 55 -8.378 0.882 -4.608 350 1HG1 VAL 55 1HG1 VAL 55 -10.824 -0.755 -3.852 351 2HG1 VAL 55 2HG1 VAL 55 -9.455 -0.372 -2.778 352 3HG1 VAL 55 3HG1 VAL 55 -10.498 0.934 -3.391 353 1HG2 VAL 55 1HG2 VAL 55 -7.581 -0.984 -5.848 354 2HG2 VAL 55 2HG2 VAL 55 -8.008 -1.605 -4.236 355 3HG2 VAL 55 3HG2 VAL 55 -9.098 -1.885 -5.614 356 H THR 56 H THR 56 -12.326 -0.199 -5.577 357 HA THR 56 HA THR 56 -13.237 2.486 -4.811 358 HB THR 56 HB THR 56 -13.945 0.950 -7.183 359 HG1 THR 56 1HG THR 56 -14.923 3.386 -5.864 360 1HG2 THR 56 1HG2 THR 56 -15.818 0.005 -5.864 361 2HG2 THR 56 2HG2 THR 56 -16.195 1.617 -5.213 362 3HG2 THR 56 3HG2 THR 56 -16.438 1.277 -6.943 363 H ALA 57 H ALA 57 -14.437 2.583 -2.988 364 HA ALA 57 HA ALA 57 -15.004 -0.005 -1.736 365 1HB ALA 57 1HB ALA 57 -15.331 1.885 0.218 366 2HB ALA 57 2HB ALA 57 -13.796 1.049 -0.124 367 3HB ALA 57 3HB ALA 57 -14.103 2.664 -0.807 368 H ASP 58 H ASP 58 -17.087 -0.507 -0.988 369 HA ASP 58 HA ASP 58 -19.167 0.527 -2.451 370 1HB ASP 58 1HB ASP 58 -19.728 -0.595 0.275 371 2HB ASP 58 2HB ASP 58 -20.499 -0.983 -1.270 372 HD2 ASP 58 HD2 ASP 58 -17.304 -2.929 -1.726 373 H ALA 59 H ALA 59 -21.151 1.714 -1.545 374 HA ALA 59 HA ALA 59 -20.660 4.161 -0.606 375 1HB ALA 59 1HB ALA 59 -22.951 4.335 -0.300 376 2HB ALA 59 2HB ALA 59 -22.870 2.861 -1.295 377 3HB ALA 59 3HB ALA 59 -23.080 2.734 0.468 378 H ASN 60 H ASN 60 -20.752 1.144 1.296 379 HA ASN 60 HA ASN 60 -20.609 2.616 3.748 380 1HB ASN 60 1HB ASN 60 -21.765 0.313 3.340 381 2HB ASN 60 2HB ASN 60 -20.138 -0.379 3.404 382 1HD2 ASN 60 1HD2 ASN 60 -21.182 -1.530 5.218 383 2HD2 ASN 60 2HD2 ASN 60 -21.127 -0.826 6.800 384 H GLY 61 H GLY 61 -18.462 3.088 1.797 385 1HA GLY 61 1HA GLY 61 -16.220 2.998 1.519 386 2HA GLY 61 2HA GLY 61 -16.201 3.133 3.266 387 H SER 62 H SER 62 -17.488 0.351 1.371 388 HA SER 62 HA SER 62 -15.642 -1.321 2.829 389 1HB SER 62 1HB SER 62 -18.293 -1.621 1.603 390 2HB SER 62 2HB SER 62 -17.223 -2.983 1.226 391 HG SER 62 HG SER 62 -18.456 -3.281 3.209 392 H ALA 63 H ALA 63 -13.649 -1.589 1.880 393 HA ALA 63 HA ALA 63 -13.572 -1.713 -1.051 394 1HB ALA 63 1HB ALA 63 -10.967 -1.498 -0.205 395 2HB ALA 63 2HB ALA 63 -12.008 -0.119 -0.632 396 3HB ALA 63 3HB ALA 63 -11.826 -0.604 1.072 397 H SER 64 H SER 64 -13.791 -3.803 -1.717 398 HA SER 64 HA SER 64 -12.331 -5.788 -0.159 399 1HB SER 64 1HB SER 64 -14.576 -6.324 -2.132 400 2HB SER 64 2HB SER 64 -13.914 -7.440 -0.927 401 HG SER 64 HG SER 64 -14.813 -5.104 0.247 402 H THR 65 H THR 65 -10.495 -4.653 -1.563 403 HA THR 65 HA THR 65 -10.389 -5.990 -4.185 404 HB THR 65 HB THR 65 -9.099 -3.424 -3.122 405 HG1 THR 65 1HG THR 65 -11.366 -3.332 -3.774 406 1HG2 THR 65 1HG2 THR 65 -9.044 -3.826 -6.015 407 2HG2 THR 65 2HG2 THR 65 -7.695 -3.436 -4.923 408 3HG2 THR 65 3HG2 THR 65 -8.153 -5.133 -5.201 409 H SER 66 H SER 66 -8.441 -7.019 -4.846 410 HA SER 66 HA SER 66 -6.680 -7.590 -2.596 411 1HB SER 66 1HB SER 66 -6.446 -9.914 -3.545 412 2HB SER 66 2HB SER 66 -8.056 -9.558 -2.893 413 HG SER 66 HG SER 66 -7.564 -9.060 -5.662 414 H LEU 67 H LEU 67 -4.427 -7.958 -3.165 415 HA LEU 67 HA LEU 67 -3.639 -7.827 -5.906 416 1HB LEU 67 1HB LEU 67 -4.172 -5.406 -4.795 417 2HB LEU 67 2HB LEU 67 -2.444 -5.578 -4.442 418 HG LEU 67 HG LEU 67 -2.354 -6.220 -7.018 419 1HD1 LEU 67 1HD1 LEU 67 -4.779 -6.151 -7.352 420 2HD1 LEU 67 2HD1 LEU 67 -4.800 -4.434 -6.879 421 3HD1 LEU 67 3HD1 LEU 67 -3.944 -4.941 -8.355 422 1HD2 LEU 67 1HD2 LEU 67 -2.428 -3.459 -7.225 423 2HD2 LEU 67 2HD2 LEU 67 -2.069 -3.740 -5.503 424 3HD2 LEU 67 3HD2 LEU 67 -1.024 -4.449 -6.758 425 H THR 68 H THR 68 -1.018 -7.423 -5.815 426 HA THR 68 HA THR 68 -0.124 -9.298 -3.734 427 HB THR 68 HB THR 68 0.989 -8.624 -6.510 428 HG1 THR 68 1HG THR 68 -0.904 -9.916 -6.640 429 1HG2 THR 68 1HG2 THR 68 2.539 -9.584 -4.519 430 2HG2 THR 68 2HG2 THR 68 1.691 -11.095 -4.921 431 3HG2 THR 68 3HG2 THR 68 2.642 -10.252 -6.166 432 H VAL 69 H VAL 69 1.278 -8.685 -2.197 433 HA VAL 69 HA VAL 69 2.131 -5.921 -2.262 434 HB VAL 69 HB VAL 69 2.556 -8.034 -0.143 435 1HG1 VAL 69 1HG1 VAL 69 2.212 -5.211 0.628 436 2HG1 VAL 69 2HG1 VAL 69 3.402 -6.415 1.176 437 3HG1 VAL 69 3HG1 VAL 69 3.666 -5.531 -0.346 438 1HG2 VAL 69 1HG2 VAL 69 0.514 -7.406 0.887 439 2HG2 VAL 69 2HG2 VAL 69 0.299 -6.016 -0.203 440 3HG2 VAL 69 3HG2 VAL 69 0.126 -7.673 -0.830 441 H ARG 70 H ARG 70 3.705 -5.869 -3.927 442 HA ARG 70 HA ARG 70 5.861 -7.737 -3.737 443 1HB ARG 70 1HB ARG 70 5.613 -5.318 -5.575 444 2HB ARG 70 2HB ARG 70 6.646 -6.737 -5.823 445 1HG ARG 70 1HG ARG 70 3.950 -7.650 -5.463 446 2HG ARG 70 2HG ARG 70 3.909 -6.328 -6.643 447 1HD ARG 70 1HD ARG 70 6.131 -7.802 -7.438 448 2HD ARG 70 2HD ARG 70 5.017 -9.065 -6.889 449 HE ARG 70 HE ARG 70 3.636 -7.144 -8.542 450 1HH1 ARG 70 1HH1 ARG 70 5.910 -9.823 -8.740 451 2HH1 ARG 70 2HH1 ARG 70 5.465 -10.249 -10.358 452 1HH2 ARG 70 1HH2 ARG 70 3.049 -7.707 -10.679 453 2HH2 ARG 70 2HH2 ARG 70 3.828 -9.037 -11.470 454 H ARG 71 H ARG 71 6.293 -6.794 -1.426 455 HA ARG 71 HA ARG 71 7.040 -4.356 -0.807 456 1HB ARG 71 1HB ARG 71 7.154 -6.147 0.816 457 2HB ARG 71 2HB ARG 71 8.443 -6.970 -0.079 458 1HG ARG 71 1HG ARG 71 9.663 -4.600 0.307 459 2HG ARG 71 2HG ARG 71 8.574 -4.554 1.707 460 1HD ARG 71 1HD ARG 71 10.840 -5.575 2.170 461 2HD ARG 71 2HD ARG 71 9.487 -6.650 2.551 462 HE ARG 71 HE ARG 71 10.357 -7.069 -0.163 463 1HH1 ARG 71 1HH1 ARG 71 11.324 -7.705 3.160 464 2HH1 ARG 71 2HH1 ARG 71 12.241 -9.119 2.757 465 1HH2 ARG 71 1HH2 ARG 71 11.567 -8.932 -0.696 466 2HH2 ARG 71 2HH2 ARG 71 12.381 -9.821 0.550 467 H SER 72 H SER 72 8.926 -6.680 -2.785 468 HA SER 72 HA SER 72 11.210 -4.982 -2.834 469 1HB SER 72 1HB SER 72 12.263 -6.695 -4.008 470 2HB SER 72 2HB SER 72 11.057 -7.599 -3.074 471 HG SER 72 HG SER 72 10.917 -6.796 -5.853 472 H PHE 73 H PHE 73 11.572 -3.307 -4.255 473 HA PHE 73 HA PHE 73 11.040 -3.249 -6.902 474 1HB PHE 73 1HB PHE 73 8.655 -2.905 -5.194 475 2HB PHE 73 2HB PHE 73 8.905 -1.476 -6.204 476 HD1 PHE 73 1HD PHE 73 6.698 -3.750 -6.187 477 HD2 PHE 73 2HD PHE 73 10.085 -2.917 -8.604 478 HE1 PHE 73 1HE PHE 73 5.616 -4.942 -8.116 479 HE2 PHE 73 2HE PHE 73 9.004 -4.108 -10.531 480 HZ PHE 73 HZ PHE 73 6.783 -5.107 -10.263 481 H GLU 74 H GLU 74 10.870 -0.858 -7.774 482 HA GLU 74 HA GLU 74 12.795 0.597 -6.256 483 1HB GLU 74 1HB GLU 74 13.030 0.466 -8.669 484 2HB GLU 74 2HB GLU 74 11.424 1.170 -8.916 485 1HG GLU 74 1HG GLU 74 12.472 3.130 -7.416 486 2HG GLU 74 2HG GLU 74 13.994 2.484 -8.051 487 HE2 GLU 74 HE2 GLU 74 13.388 3.796 -11.180 488 H GLY 75 H GLY 75 12.356 2.182 -4.782 489 1HA GLY 75 1HA GLY 75 9.640 2.937 -4.268 490 2HA GLY 75 2HA GLY 75 11.083 3.492 -3.441 491 H PHE 76 H PHE 76 8.735 5.070 -4.387 492 HA PHE 76 HA PHE 76 10.251 6.954 -6.032 493 1HB PHE 76 1HB PHE 76 8.774 6.024 -7.647 494 2HB PHE 76 2HB PHE 76 7.543 5.636 -6.441 495 HD1 PHE 76 1HD PHE 76 9.238 8.785 -7.544 496 HD2 PHE 76 2HD PHE 76 5.578 6.747 -6.864 497 HE1 PHE 76 1HE PHE 76 7.968 10.847 -8.203 498 HE2 PHE 76 2HE PHE 76 4.308 8.809 -7.523 499 HZ PHE 76 HZ PHE 76 5.519 10.835 -8.184 500 H LEU 77 H LEU 77 10.473 8.769 -4.817 501 HA LEU 77 HA LEU 77 9.015 9.298 -2.533 502 1HB LEU 77 1HB LEU 77 10.233 11.460 -4.200 503 2HB LEU 77 2HB LEU 77 10.165 11.307 -2.434 504 HG LEU 77 HG LEU 77 11.988 9.932 -4.403 505 1HD1 LEU 77 1HD1 LEU 77 13.325 11.582 -3.744 506 2HD1 LEU 77 2HD1 LEU 77 12.216 12.065 -2.439 507 3HD1 LEU 77 3HD1 LEU 77 13.409 10.773 -2.162 508 1HD2 LEU 77 1HD2 LEU 77 11.859 8.041 -3.233 509 2HD2 LEU 77 2HD2 LEU 77 12.684 8.918 -1.923 510 3HD2 LEU 77 3HD2 LEU 77 10.909 8.807 -1.937 511 H PHE 78 H PHE 78 7.381 10.931 -2.065 512 HA PHE 78 HA PHE 78 5.349 10.910 -4.084 513 1HB PHE 78 1HB PHE 78 4.558 10.667 -1.855 514 2HB PHE 78 2HB PHE 78 5.767 11.779 -1.204 515 HD1 PHE 78 1HD PHE 78 3.140 12.141 -3.839 516 HD2 PHE 78 2HD PHE 78 4.701 13.521 -0.142 517 HE1 PHE 78 1HE PHE 78 1.418 13.966 -3.794 518 HE2 PHE 78 2HE PHE 78 2.980 15.347 -0.097 519 HZ PHE 78 HZ PHE 78 1.357 15.546 -1.924 520 H ASP 79 H ASP 79 7.777 13.174 -2.818 521 HA ASP 79 HA ASP 79 6.619 15.537 -3.540 522 1HB ASP 79 1HB ASP 79 9.176 14.586 -2.721 523 2HB ASP 79 2HB ASP 79 9.461 15.562 -4.170 524 HD2 ASP 79 HD2 ASP 79 9.558 17.677 -1.205 525 H GLY 80 H GLY 80 8.752 13.269 -5.416 526 1HA GLY 80 1HA GLY 80 7.583 13.403 -7.844 527 2HA GLY 80 2HA GLY 80 8.569 14.852 -7.827 528 H THR 81 H THR 81 10.589 13.538 -5.940 529 HA THR 81 HA THR 81 12.177 12.349 -8.027 530 HB THR 81 HB THR 81 12.597 13.055 -5.081 531 HG1 THR 81 1HG THR 81 12.629 14.848 -6.513 532 1HG2 THR 81 1HG2 THR 81 15.054 12.720 -5.642 533 2HG2 THR 81 2HG2 THR 81 14.136 11.195 -5.566 534 3HG2 THR 81 3HG2 THR 81 14.550 11.907 -7.143 535 H ARG 82 H ARG 82 13.397 10.282 -7.640 536 HA ARG 82 HA ARG 82 11.557 8.400 -6.395 537 1HB ARG 82 1HB ARG 82 13.343 8.109 -8.846 538 2HB ARG 82 2HB ARG 82 12.564 6.720 -8.069 539 1HG ARG 82 1HG ARG 82 10.465 7.323 -8.800 540 2HG ARG 82 2HG ARG 82 10.813 9.060 -8.746 541 1HD ARG 82 1HD ARG 82 11.703 9.080 -10.879 542 2HD ARG 82 2HD ARG 82 12.322 7.425 -10.766 543 HE ARG 82 HE ARG 82 9.565 7.114 -10.730 544 1HH1 ARG 82 1HH1 ARG 82 11.828 8.700 -12.908 545 2HH1 ARG 82 2HH1 ARG 82 10.846 8.459 -14.313 546 1HH2 ARG 82 1HH2 ARG 82 8.268 6.791 -12.585 547 2HH2 ARG 82 2HH2 ARG 82 8.807 7.363 -14.128 548 H TRP 83 H TRP 83 12.515 6.616 -5.190 549 HA TRP 83 HA TRP 83 15.257 7.203 -4.352 550 1HB TRP 83 1HB TRP 83 13.636 7.261 -2.583 551 2HB TRP 83 2HB TRP 83 13.024 5.666 -3.018 552 HD1 TRP 83 HD TRP 83 13.988 3.796 -1.480 553 HE1 TRP 83 1HE TRP 83 16.125 3.349 0.000 554 HE3 TRP 83 3HE TRP 83 16.366 8.129 -2.674 555 HZ2 TRP 83 2HZ TRP 83 18.518 4.823 0.494 556 HZ3 TRP 83 3HZ TRP 83 18.599 8.548 -1.650 557 HH2 TRP 83 HH TRP 83 19.676 6.980 -0.115 558 H GLY 84 H GLY 84 13.440 4.110 -4.123 559 1HA GLY 84 1HA GLY 84 13.894 2.534 -6.070 560 2HA GLY 84 2HA GLY 84 15.582 2.840 -5.707 561 H THR 85 H THR 85 16.578 1.452 -4.312 562 HA THR 85 HA THR 85 16.837 0.201 -2.440 563 HB THR 85 HB THR 85 13.817 0.135 -2.040 564 HG1 THR 85 1HG THR 85 15.875 2.153 -1.502 565 1HG2 THR 85 1HG2 THR 85 15.250 0.696 0.341 566 2HG2 THR 85 2HG2 THR 85 14.497 -0.857 -0.092 567 3HG2 THR 85 3HG2 THR 85 16.208 -0.558 -0.481 568 H VAL 86 H VAL 86 13.718 -0.776 -4.025 569 HA VAL 86 HA VAL 86 13.330 -2.551 -5.336 570 HB VAL 86 HB VAL 86 16.042 -3.699 -4.735 571 1HG1 VAL 86 1HG1 VAL 86 13.904 -4.083 -6.771 572 2HG1 VAL 86 2HG1 VAL 86 15.588 -4.201 -7.338 573 3HG1 VAL 86 3HG1 VAL 86 15.011 -5.262 -6.030 574 1HG2 VAL 86 1HG2 VAL 86 15.483 -1.158 -6.041 575 2HG2 VAL 86 2HG2 VAL 86 17.041 -1.886 -5.586 576 3HG2 VAL 86 3HG2 VAL 86 16.287 -2.299 -7.144 577 H ASP 87 H ASP 87 14.388 -2.484 -2.068 578 HA ASP 87 HA ASP 87 12.777 -4.841 -1.588 579 1HB ASP 87 1HB ASP 87 15.473 -5.061 -1.489 580 2HB ASP 87 2HB ASP 87 15.195 -4.455 0.151 581 HD2 ASP 87 HD2 ASP 87 14.575 -7.656 1.133 582 H CYS 88 H CYS 88 11.093 -3.597 -0.623 583 HA CYS 88 HA CYS 88 11.766 -1.500 1.209 584 1HB CYS 88 1HB CYS 88 9.911 -1.081 -0.167 585 2HB CYS 88 2HB CYS 88 9.172 -2.644 0.189 586 H THR 89 H THR 89 13.031 -3.614 2.263 587 HA THR 89 HA THR 89 11.205 -4.931 4.135 588 HB THR 89 HB THR 89 12.949 -6.157 2.645 589 HG1 THR 89 1HG THR 89 13.118 -7.589 4.423 590 1HG2 THR 89 1HG2 THR 89 14.755 -4.891 4.771 591 2HG2 THR 89 2HG2 THR 89 15.211 -6.306 3.787 592 3HG2 THR 89 3HG2 THR 89 14.926 -4.730 3.005 593 H THR 90 H THR 90 13.239 -2.185 3.907 594 HA THR 90 HA THR 90 13.933 -2.239 6.731 595 HB THR 90 HB THR 90 15.560 -1.490 4.960 596 HG1 THR 90 1HG THR 90 16.138 0.252 6.323 597 1HG2 THR 90 1HG2 THR 90 13.777 0.977 4.726 598 2HG2 THR 90 2HG2 THR 90 15.231 0.586 3.777 599 3HG2 THR 90 3HG2 THR 90 13.727 -0.331 3.521 600 H ALA 91 H ALA 91 12.047 -0.129 4.464 601 HA ALA 91 HA ALA 91 10.814 1.108 6.789 602 1HB ALA 91 1HB ALA 91 10.291 2.857 5.370 603 2HB ALA 91 2HB ALA 91 11.737 2.219 4.550 604 3HB ALA 91 3HB ALA 91 10.114 1.797 3.950 605 H ALA 92 H ALA 92 8.685 0.796 7.403 606 HA ALA 92 HA ALA 92 7.432 -1.567 6.489 607 1HB ALA 92 1HB ALA 92 5.556 -0.667 7.986 608 2HB ALA 92 2HB ALA 92 7.136 -0.922 8.765 609 3HB ALA 92 3HB ALA 92 6.622 0.722 8.313 610 H CYS 93 H CYS 93 6.331 -1.822 4.615 611 HA CYS 93 HA CYS 93 5.416 0.546 3.244 612 1HB CYS 93 1HB CYS 93 4.790 -2.056 2.057 613 2HB CYS 93 2HB CYS 93 5.573 -0.636 1.354 614 H GLN 94 H GLN 94 3.296 1.244 3.310 615 HA GLN 94 HA GLN 94 1.419 -0.574 4.597 616 1HB GLN 94 1HB GLN 94 1.464 2.454 4.347 617 2HB GLN 94 2HB GLN 94 0.083 1.559 5.006 618 1HG GLN 94 1HG GLN 94 1.247 0.924 6.920 619 2HG GLN 94 2HG GLN 94 2.829 1.012 6.132 620 1HE2 GLN 94 1HE2 GLN 94 4.018 2.777 6.344 621 2HE2 GLN 94 2HE2 GLN 94 3.525 4.267 7.077 622 H VAL 95 H VAL 95 -0.133 -1.510 3.338 623 HA VAL 95 HA VAL 95 -0.454 -0.504 0.637 624 HB VAL 95 HB VAL 95 -1.892 -2.878 1.752 625 1HG1 VAL 95 1HG1 VAL 95 -1.337 -3.775 -0.525 626 2HG1 VAL 95 2HG1 VAL 95 -2.349 -2.310 -0.539 627 3HG1 VAL 95 3HG1 VAL 95 -0.613 -2.195 -0.914 628 1HG2 VAL 95 1HG2 VAL 95 0.417 -4.021 0.872 629 2HG2 VAL 95 2HG2 VAL 95 1.044 -2.544 1.640 630 3HG2 VAL 95 3HG2 VAL 95 0.050 -3.682 2.579 631 H GLY 96 H GLY 96 -1.898 1.108 0.309 632 1HA GLY 96 1HA GLY 96 -4.591 0.796 1.341 633 2HA GLY 96 2HA GLY 96 -3.707 2.171 1.973 634 H LEU 97 H LEU 97 -5.936 2.806 0.579 635 HA LEU 97 HA LEU 97 -4.993 3.452 -2.122 636 1HB LEU 97 1HB LEU 97 -7.549 4.003 -2.313 637 2HB LEU 97 2HB LEU 97 -6.925 2.358 -2.521 638 HG LEU 97 HG LEU 97 -8.024 3.394 0.100 639 1HD1 LEU 97 1HD1 LEU 97 -9.951 3.592 -1.102 640 2HD1 LEU 97 2HD1 LEU 97 -9.462 2.382 -2.311 641 3HD1 LEU 97 3HD1 LEU 97 -10.032 1.859 -0.708 642 1HD2 LEU 97 1HD2 LEU 97 -7.342 1.446 0.903 643 2HD2 LEU 97 2HD2 LEU 97 -8.392 0.602 -0.260 644 3HD2 LEU 97 3HD2 LEU 97 -6.708 0.981 -0.694 645 H SER 98 H SER 98 -4.365 5.503 -2.520 646 HA SER 98 HA SER 98 -4.851 7.434 -0.454 647 1HB SER 98 1HB SER 98 -3.139 7.344 -2.945 648 2HB SER 98 2HB SER 98 -3.390 8.873 -2.083 649 HG SER 98 HG SER 98 -2.606 6.587 -0.572 650 H ASP 99 H ASP 99 -5.612 9.693 -1.064 651 HA ASP 99 HA ASP 99 -7.945 9.427 -2.656 652 1HB ASP 99 1HB ASP 99 -6.827 12.027 -1.569 653 2HB ASP 99 2HB ASP 99 -8.524 11.599 -1.833 654 HD2 ASP 99 HD2 ASP 99 -8.452 11.206 1.604 655 H ALA 100 H ALA 100 -8.431 11.309 -4.323 656 HA ALA 100 HA ALA 100 -6.198 11.407 -6.148 657 1HB ALA 100 1HB ALA 100 -9.146 11.777 -6.218 658 2HB ALA 100 2HB ALA 100 -8.219 12.789 -7.350 659 3HB ALA 100 3HB ALA 100 -8.060 11.016 -7.404 660 H ALA 101 H ALA 101 -6.724 13.047 -3.420 661 HA ALA 101 HA ALA 101 -6.292 15.703 -4.571 662 1HB ALA 101 1HB ALA 101 -6.887 16.532 -2.383 663 2HB ALA 101 2HB ALA 101 -8.086 15.295 -2.833 664 3HB ALA 101 3HB ALA 101 -6.789 14.902 -1.676 665 H GLY 102 H GLY 102 -5.016 13.695 -1.812 666 1HA GLY 102 1HA GLY 102 -2.511 13.257 -2.282 667 2HA GLY 102 2HA GLY 102 -2.410 15.003 -2.186 668 H ASN 103 H ASN 103 -4.560 12.794 -0.294 669 HA ASN 103 HA ASN 103 -2.911 13.202 2.019 670 1HB ASN 103 1HB ASN 103 -5.838 13.802 2.392 671 2HB ASN 103 2HB ASN 103 -4.454 14.418 3.307 672 1HD2 ASN 103 1HD2 ASN 103 -6.719 14.983 0.870 673 2HD2 ASN 103 2HD2 ASN 103 -6.085 16.453 0.205 674 H GLY 104 H GLY 104 -3.063 11.345 3.344 675 1HA GLY 104 1HA GLY 104 -5.015 9.806 4.153 676 2HA GLY 104 2HA GLY 104 -4.959 9.282 2.480 677 HA PRO 105 HA PRO 105 -0.816 8.077 4.465 678 1HB PRO 105 1HB PRO 105 -0.452 8.469 7.145 679 2HB PRO 105 2HB PRO 105 0.132 9.592 5.919 680 1HG PRO 105 1HG PRO 105 -2.203 9.786 7.712 681 2HG PRO 105 2HG PRO 105 -1.349 11.107 6.833 682 1HD PRO 105 1HD PRO 105 -3.872 9.899 6.218 683 2HD PRO 105 2HD PRO 105 -2.999 11.080 5.233 684 H GLU 106 H GLU 106 -3.856 7.352 5.341 685 HA GLU 106 HA GLU 106 -3.352 5.251 7.123 686 1HB GLU 106 1HB GLU 106 -5.623 6.431 5.728 687 2HB GLU 106 2HB GLU 106 -5.755 4.665 5.764 688 1HG GLU 106 1HG GLU 106 -6.265 4.687 7.963 689 2HG GLU 106 2HG GLU 106 -4.857 5.688 8.348 690 HE2 GLU 106 HE2 GLU 106 -8.108 7.443 8.892 691 H GLY 107 H GLY 107 -3.049 3.023 6.780 692 1HA GLY 107 1HA GLY 107 -3.422 1.723 4.315 693 2HA GLY 107 2HA GLY 107 -1.748 2.232 4.428 694 H VAL 108 H VAL 108 -3.136 -0.512 4.569 695 HA VAL 108 HA VAL 108 -2.853 -1.424 7.227 696 HB VAL 108 HB VAL 108 -4.220 -2.353 5.254 697 1HG1 VAL 108 1HG1 VAL 108 -1.504 -3.579 4.685 698 2HG1 VAL 108 2HG1 VAL 108 -3.037 -4.247 4.075 699 3HG1 VAL 108 3HG1 VAL 108 -2.523 -2.615 3.590 700 1HG2 VAL 108 1HG2 VAL 108 -4.540 -4.268 6.450 701 2HG2 VAL 108 2HG2 VAL 108 -2.799 -4.603 6.601 702 3HG2 VAL 108 3HG2 VAL 108 -3.563 -3.382 7.644 703 H ALA 109 H ALA 109 -1.072 -2.083 8.344 704 HA ALA 109 HA ALA 109 1.477 -1.610 7.224 705 1HB ALA 109 1HB ALA 109 1.945 -1.504 9.416 706 2HB ALA 109 2HB ALA 109 0.292 -2.052 9.785 707 3HB ALA 109 3HB ALA 109 1.600 -3.242 9.587 708 H ILE 110 H ILE 110 2.009 -2.873 5.455 709 HA ILE 110 HA ILE 110 1.469 -5.708 5.562 710 HB ILE 110 HB ILE 110 1.755 -3.751 3.557 711 1HG1 ILE 110 1HG1 ILE 110 0.883 -5.437 2.127 712 2HG1 ILE 110 2HG1 ILE 110 1.456 -6.741 3.183 713 1HG2 ILE 110 1HG2 ILE 110 4.205 -4.330 3.659 714 2HG2 ILE 110 2HG2 ILE 110 3.766 -5.968 3.119 715 3HG2 ILE 110 3HG2 ILE 110 3.424 -4.567 2.078 716 1HD1 ILE 110 1HD1 ILE 110 -1.053 -5.352 3.260 717 2HD1 ILE 110 2HD1 ILE 110 -0.481 -6.644 4.344 718 3HD1 ILE 110 3HD1 ILE 110 -0.166 -4.939 4.748 719 H SER 111 H SER 111 2.894 -7.286 6.128 720 HA SER 111 HA SER 111 5.418 -7.587 5.746 721 1HB SER 111 1HB SER 111 5.126 -5.360 7.711 722 2HB SER 111 2HB SER 111 6.380 -6.559 8.075 723 HG SER 111 HG SER 111 7.347 -4.964 6.811 724 H PHE 112 H PHE 112 4.238 -6.966 9.122 725 HA PHE 112 HA PHE 112 3.650 -9.792 9.416 726 1HB PHE 112 1HB PHE 112 5.250 -10.059 11.199 727 2HB PHE 112 2HB PHE 112 6.147 -9.167 9.966 728 HD1 PHE 112 1HD PHE 112 6.998 -7.011 10.425 729 HD2 PHE 112 2HD PHE 112 4.305 -8.825 13.157 730 HE1 PHE 112 1HE PHE 112 7.498 -5.218 12.111 731 HE2 PHE 112 2HE PHE 112 4.804 -7.033 14.840 732 HZ PHE 112 HZ PHE 112 6.395 -5.249 14.298 733 H ASN 113 H ASN 113 1.948 -10.146 10.813 734 HA ASN 113 HA ASN 113 0.260 -8.198 11.473 735 1HB ASN 113 1HB ASN 113 0.006 -10.751 11.724 736 2HB ASN 113 2HB ASN 113 0.757 -10.584 13.318 737 1HD2 ASN 113 1HD2 ASN 113 -0.579 -10.407 14.934 738 2HD2 ASN 113 2HD2 ASN 113 -2.186 -9.760 14.913 739 6H NCZ 130 6H NCZ 130 -2.744 11.518 0.402 740 6H1 NCZ 130 6H1 NCZ 130 -1.223 9.037 0.490 741 5H1 NCZ 130 5H1 NCZ 130 -1.471 10.263 2.820 742 4H1 NCZ 130 4H1 NCZ 130 0.181 12.450 2.553 743 5H NCZ 130 5H NCZ 130 0.015 13.238 -0.991 744 3H1 NCZ 130 3H1 NCZ 130 1.398 12.058 0.475 745 2H1 NCZ 130 2H1 NCZ 130 1.818 11.434 -1.379 746 2H NCZ 130 2H NCZ 130 0.070 8.297 -4.198 747 8H NCZ 130 8H NCZ 130 -0.889 5.263 -3.747 748 7H NCZ 130 7H NCZ 130 -1.561 4.224 -1.608 749 3H NCZ 130 3H NCZ 130 -0.652 5.116 2.919 750 1H17 NCZ 130 1H17 NCZ 130 1.591 8.645 4.551 751 2H17 NCZ 130 2H17 NCZ 130 2.182 8.758 2.873 752 3H17 NCZ 130 3H17 NCZ 130 0.517 9.250 3.268 753 1H18 NCZ 130 1H18 NCZ 130 -1.565 3.265 -0.052 754 2H18 NCZ 130 2H18 NCZ 130 -1.397 3.252 1.719 755 3H18 NCZ 130 3H18 NCZ 130 -2.725 4.159 0.960 756 1H NCZ 130 1H NCZ 130 1.388 8.205 0.850 Start of MODEL 40 1 H ALA 1 H ALA 1 -4.153 -4.560 8.030 2 HA ALA 1 HA ALA 1 -4.269 -6.615 9.463 3 1HB ALA 1 1HB ALA 1 -2.903 -4.634 10.053 4 2HB ALA 1 2HB ALA 1 -4.322 -3.896 10.834 5 3HB ALA 1 3HB ALA 1 -3.618 -5.392 11.496 6 H ALA 2 H ALA 2 -6.862 -4.154 9.676 7 HA ALA 2 HA ALA 2 -8.795 -6.042 10.356 8 1HB ALA 2 1HB ALA 2 -8.545 -6.268 12.577 9 2HB ALA 2 2HB ALA 2 -7.209 -5.092 12.584 10 3HB ALA 2 3HB ALA 2 -8.891 -4.531 12.754 11 HA PRO 3 HA PRO 3 -10.422 -1.620 10.530 12 1HB PRO 3 1HB PRO 3 -8.722 0.493 10.849 13 2HB PRO 3 2HB PRO 3 -9.569 -0.271 12.190 14 1HG PRO 3 1HG PRO 3 -6.752 -0.505 11.351 15 2HG PRO 3 2HG PRO 3 -7.482 -0.883 12.954 16 1HD PRO 3 1HD PRO 3 -6.626 -2.702 10.913 17 2HD PRO 3 2HD PRO 3 -7.485 -3.116 12.405 18 H THR 4 H THR 4 -11.122 -0.300 8.846 19 HA THR 4 HA THR 4 -11.242 -0.013 6.612 20 HB THR 4 HB THR 4 -9.723 1.747 5.956 21 HG1 THR 4 1HG THR 4 -8.008 0.777 8.117 22 1HG2 THR 4 1HG2 THR 4 -9.264 3.042 8.096 23 2HG2 THR 4 2HG2 THR 4 -10.954 2.501 7.950 24 3HG2 THR 4 3HG2 THR 4 -9.829 1.624 9.015 25 H ALA 5 H ALA 5 -8.989 0.226 4.722 26 HA ALA 5 HA ALA 5 -9.038 -2.241 3.608 27 1HB ALA 5 1HB ALA 5 -7.627 0.236 3.272 28 2HB ALA 5 2HB ALA 5 -6.468 -1.100 3.084 29 3HB ALA 5 3HB ALA 5 -7.930 -1.039 2.070 30 H THR 6 H THR 6 -8.057 -4.209 3.909 31 HA THR 6 HA THR 6 -5.764 -4.321 5.721 32 HB THR 6 HB THR 6 -6.859 -6.062 7.072 33 HG1 THR 6 1HG THR 6 -8.563 -7.071 6.083 34 1HG2 THR 6 1HG2 THR 6 -9.247 -4.319 6.926 35 2HG2 THR 6 2HG2 THR 6 -8.161 -4.623 8.303 36 3HG2 THR 6 3HG2 THR 6 -7.735 -3.396 7.084 37 H VAL 7 H VAL 7 -4.762 -6.576 5.696 38 HA VAL 7 HA VAL 7 -5.070 -7.673 2.987 39 HB VAL 7 HB VAL 7 -2.668 -6.887 4.574 40 1HG1 VAL 7 1HG1 VAL 7 -2.506 -9.374 4.179 41 2HG1 VAL 7 2HG1 VAL 7 -2.535 -9.031 2.433 42 3HG1 VAL 7 3HG1 VAL 7 -1.207 -8.407 3.443 43 1HG2 VAL 7 1HG2 VAL 7 -3.880 -5.864 2.350 44 2HG2 VAL 7 2HG2 VAL 7 -2.167 -5.629 2.769 45 3HG2 VAL 7 3HG2 VAL 7 -2.633 -6.905 1.620 46 H THR 8 H THR 8 -5.763 -9.744 2.958 47 HA THR 8 HA THR 8 -6.581 -11.225 4.993 48 HB THR 8 HB THR 8 -5.401 -11.810 2.297 49 HG1 THR 8 1HG THR 8 -7.622 -11.689 2.260 50 1HG2 THR 8 1HG2 THR 8 -5.573 -14.215 2.551 51 2HG2 THR 8 2HG2 THR 8 -4.505 -13.663 3.862 52 3HG2 THR 8 3HG2 THR 8 -6.205 -14.057 4.207 53 HA PRO 9 HA PRO 9 -2.440 -13.090 6.062 54 1HB PRO 9 1HB PRO 9 -0.211 -12.617 4.554 55 2HB PRO 9 2HB PRO 9 -1.255 -14.017 4.318 56 1HG PRO 9 1HG PRO 9 -1.036 -11.527 2.751 57 2HG PRO 9 2HG PRO 9 -1.724 -13.113 2.249 58 1HD PRO 9 1HD PRO 9 -3.115 -10.714 2.963 59 2HD PRO 9 2HD PRO 9 -3.837 -12.294 2.631 60 H SER 10 H SER 10 0.197 -12.253 6.410 61 HA SER 10 HA SER 10 -0.177 -9.496 7.220 62 1HB SER 10 1HB SER 10 0.128 -11.829 8.999 63 2HB SER 10 2HB SER 10 1.285 -10.532 9.341 64 HG SER 10 HG SER 10 -1.463 -10.658 9.792 65 H SER 11 H SER 11 1.992 -12.353 6.804 66 HA SER 11 HA SER 11 4.365 -10.923 6.966 67 1HB SER 11 1HB SER 11 3.625 -13.546 5.631 68 2HB SER 11 2HB SER 11 5.294 -12.950 5.683 69 HG SER 11 HG SER 11 4.940 -14.367 7.446 70 H GLY 12 H GLY 12 3.647 -8.975 5.651 71 1HA GLY 12 1HA GLY 12 2.982 -8.958 2.997 72 2HA GLY 12 2HA GLY 12 3.924 -7.718 3.804 73 H LEU 13 H LEU 13 6.171 -9.576 4.513 74 HA LEU 13 HA LEU 13 7.584 -9.311 2.042 75 1HB LEU 13 1HB LEU 13 9.357 -10.512 3.542 76 2HB LEU 13 2HB LEU 13 8.956 -8.798 3.760 77 HG LEU 13 HG LEU 13 7.686 -9.257 5.714 78 1HD1 LEU 13 1HD1 LEU 13 6.725 -11.430 4.653 79 2HD1 LEU 13 2HD1 LEU 13 8.074 -12.227 5.498 80 3HD1 LEU 13 3HD1 LEU 13 6.870 -11.300 6.423 81 1HD2 LEU 13 1HD2 LEU 13 10.207 -10.939 5.749 82 2HD2 LEU 13 2HD2 LEU 13 10.077 -9.198 6.093 83 3HD2 LEU 13 3HD2 LEU 13 9.319 -10.380 7.186 84 H SER 14 H SER 14 5.936 -10.758 0.895 85 HA SER 14 HA SER 14 6.947 -13.477 1.098 86 1HB SER 14 1HB SER 14 4.313 -12.632 1.736 87 2HB SER 14 2HB SER 14 4.192 -13.473 0.181 88 HG SER 14 HG SER 14 5.724 -14.644 2.295 89 H ASP 15 H ASP 15 8.357 -12.752 -0.703 90 HA ASP 15 HA ASP 15 8.637 -11.882 -2.794 91 1HB ASP 15 1HB ASP 15 8.239 -13.857 -4.376 92 2HB ASP 15 2HB ASP 15 9.210 -14.204 -2.937 93 HD2 ASP 15 HD2 ASP 15 6.318 -16.551 -3.604 94 H GLY 16 H GLY 16 6.599 -10.322 -2.430 95 1HA GLY 16 1HA GLY 16 4.722 -9.378 -3.224 96 2HA GLY 16 2HA GLY 16 5.143 -10.117 -4.756 97 H THR 17 H THR 17 3.672 -10.968 -1.544 98 HA THR 17 HA THR 17 2.304 -13.229 -2.618 99 HB THR 17 HB THR 17 2.919 -12.038 -0.059 100 HG1 THR 17 1HG THR 17 2.385 -14.260 0.467 101 1HG2 THR 17 1HG2 THR 17 -0.002 -12.891 -0.393 102 2HG2 THR 17 2HG2 THR 17 0.803 -12.425 1.124 103 3HG2 THR 17 3HG2 THR 17 0.512 -11.205 -0.139 104 H VAL 18 H VAL 18 0.247 -13.476 -3.372 105 HA VAL 18 HA VAL 18 -1.184 -10.957 -3.813 106 HB VAL 18 HB VAL 18 -1.807 -13.526 -5.213 107 1HG1 VAL 18 1HG1 VAL 18 -2.399 -10.676 -5.509 108 2HG1 VAL 18 2HG1 VAL 18 -1.824 -11.422 -7.021 109 3HG1 VAL 18 3HG1 VAL 18 -3.239 -12.097 -6.176 110 1HG2 VAL 18 1HG2 VAL 18 0.639 -13.363 -5.342 111 2HG2 VAL 18 2HG2 VAL 18 -0.111 -13.051 -6.926 112 3HG2 VAL 18 3HG2 VAL 18 0.501 -11.694 -5.949 113 H VAL 19 H VAL 19 -2.919 -10.553 -2.551 114 HA VAL 19 HA VAL 19 -4.579 -12.802 -1.759 115 HB VAL 19 HB VAL 19 -4.623 -11.823 0.590 116 1HG1 VAL 19 1HG1 VAL 19 -3.317 -13.548 1.199 117 2HG1 VAL 19 2HG1 VAL 19 -3.138 -13.848 -0.546 118 3HG1 VAL 19 3HG1 VAL 19 -1.904 -12.908 0.324 119 1HG2 VAL 19 1HG2 VAL 19 -3.492 -9.907 0.869 120 2HG2 VAL 19 2HG2 VAL 19 -2.023 -10.910 0.865 121 3HG2 VAL 19 3HG2 VAL 19 -2.571 -10.132 -0.639 122 H LYS 20 H LYS 20 -6.293 -11.359 -0.034 123 HA LYS 20 HA LYS 20 -7.387 -9.440 -1.957 124 1HB LYS 20 1HB LYS 20 -8.668 -11.162 0.164 125 2HB LYS 20 2HB LYS 20 -9.531 -9.862 -0.676 126 1HG LYS 20 1HG LYS 20 -9.868 -11.193 -2.462 127 2HG LYS 20 2HG LYS 20 -8.135 -11.523 -2.607 128 1HD LYS 20 1HD LYS 20 -8.314 -13.540 -1.557 129 2HD LYS 20 2HD LYS 20 -9.482 -12.938 -0.366 130 1HE LYS 20 1HE LYS 20 -10.977 -12.859 -2.668 131 2HE LYS 20 2HE LYS 20 -9.935 -14.250 -3.006 132 1HZ LYS 20 1HZ LYS 20 -11.793 -15.037 -1.866 133 2HZ LYS 20 2HZ LYS 20 -10.602 -15.034 -0.750 134 3HZ LYS 20 3HZ LYS 20 -11.742 -13.864 -0.733 135 H VAL 21 H VAL 21 -7.948 -7.339 -1.324 136 HA VAL 21 HA VAL 21 -6.921 -6.599 1.329 137 HB VAL 21 HB VAL 21 -7.145 -4.829 -1.105 138 1HG1 VAL 21 1HG1 VAL 21 -5.117 -3.846 0.433 139 2HG1 VAL 21 2HG1 VAL 21 -6.808 -3.300 0.525 140 3HG1 VAL 21 3HG1 VAL 21 -6.199 -4.510 1.679 141 1HG2 VAL 21 1HG2 VAL 21 -4.594 -5.168 -1.198 142 2HG2 VAL 21 2HG2 VAL 21 -4.885 -6.633 -0.228 143 3HG2 VAL 21 3HG2 VAL 21 -5.626 -6.469 -1.838 144 H ALA 22 H ALA 22 -8.949 -7.051 2.369 145 HA ALA 22 HA ALA 22 -11.256 -5.583 1.400 146 1HB ALA 22 1HB ALA 22 -12.452 -7.155 2.511 147 2HB ALA 22 2HB ALA 22 -10.916 -8.047 2.586 148 3HB ALA 22 3HB ALA 22 -11.429 -7.043 3.963 149 H GLY 23 H GLY 23 -11.961 -3.662 2.234 150 1HA GLY 23 1HA GLY 23 -10.589 -2.702 4.677 151 2HA GLY 23 2HA GLY 23 -10.956 -1.685 3.298 152 H ALA 24 H ALA 24 -11.964 -2.402 6.368 153 HA ALA 24 HA ALA 24 -14.813 -2.159 5.751 154 1HB ALA 24 1HB ALA 24 -13.287 -2.868 8.288 155 2HB ALA 24 2HB ALA 24 -15.059 -2.717 8.186 156 3HB ALA 24 3HB ALA 24 -14.217 -3.975 7.250 157 H GLY 25 H GLY 25 -15.267 -0.024 5.329 158 1HA GLY 25 1HA GLY 25 -15.911 2.027 6.234 159 2HA GLY 25 2HA GLY 25 -14.721 1.857 7.511 160 H LEU 26 H LEU 26 -14.179 1.316 3.985 161 HA LEU 26 HA LEU 26 -11.807 2.749 3.944 162 1HB LEU 26 1HB LEU 26 -12.966 1.032 2.317 163 2HB LEU 26 2HB LEU 26 -13.466 2.513 1.481 164 HG LEU 26 HG LEU 26 -10.781 2.944 1.870 165 1HD1 LEU 26 1HD1 LEU 26 -10.408 0.331 0.728 166 2HD1 LEU 26 2HD1 LEU 26 -9.614 1.075 2.137 167 3HD1 LEU 26 3HD1 LEU 26 -11.142 0.184 2.342 168 1HD2 LEU 26 1HD2 LEU 26 -10.660 2.981 -0.409 169 2HD2 LEU 26 2HD2 LEU 26 -11.619 1.495 -0.603 170 3HD2 LEU 26 3HD2 LEU 26 -12.428 3.029 -0.202 171 H GLN 27 H GLN 27 -12.795 4.282 1.369 172 HA GLN 27 HA GLN 27 -13.154 6.720 2.808 173 1HB GLN 27 1HB GLN 27 -11.656 6.505 0.818 174 2HB GLN 27 2HB GLN 27 -13.082 6.235 -0.202 175 1HG GLN 27 1HG GLN 27 -12.190 8.621 -0.148 176 2HG GLN 27 2HG GLN 27 -13.911 8.458 0.235 177 1HE2 GLN 27 1HE2 GLN 27 -11.098 7.675 2.233 178 2HE2 GLN 27 2HE2 GLN 27 -11.390 8.818 3.500 179 H ALA 28 H ALA 28 -15.329 4.971 3.263 180 HA ALA 28 HA ALA 28 -17.543 5.124 3.406 181 1HB ALA 28 1HB ALA 28 -17.813 7.361 1.443 182 2HB ALA 28 2HB ALA 28 -18.580 7.136 3.033 183 3HB ALA 28 3HB ALA 28 -16.894 7.695 2.930 184 H GLY 29 H GLY 29 -15.706 4.661 0.577 185 1HA GLY 29 1HA GLY 29 -16.472 2.717 -0.714 186 2HA GLY 29 2HA GLY 29 -18.045 3.484 -0.804 187 H THR 30 H THR 30 -15.586 5.869 -0.866 188 HA THR 30 HA THR 30 -16.197 6.661 -3.483 189 HB THR 30 HB THR 30 -13.663 7.380 -1.948 190 HG1 THR 30 1HG THR 30 -15.398 8.954 -0.993 191 1HG2 THR 30 1HG2 THR 30 -14.968 8.451 -4.238 192 2HG2 THR 30 2HG2 THR 30 -15.414 9.532 -2.894 193 3HG2 THR 30 3HG2 THR 30 -13.699 9.244 -3.274 194 H ALA 31 H ALA 31 -13.405 7.250 -4.349 195 HA ALA 31 HA ALA 31 -12.520 4.557 -5.068 196 1HB ALA 31 1HB ALA 31 -12.799 4.855 -7.321 197 2HB ALA 31 2HB ALA 31 -14.107 5.934 -6.777 198 3HB ALA 31 3HB ALA 31 -12.525 6.611 -7.232 199 H TYR 32 H TYR 32 -10.290 4.359 -5.165 200 HA TYR 32 HA TYR 32 -8.690 6.773 -5.300 201 1HB TYR 32 1HB TYR 32 -9.029 4.847 -2.949 202 2HB TYR 32 2HB TYR 32 -7.491 5.692 -3.160 203 HD1 TYR 32 1HD TYR 32 -9.352 5.892 -0.754 204 HD2 TYR 32 2HD TYR 32 -9.025 8.245 -4.312 205 HE1 TYR 32 1HE TYR 32 -10.301 7.903 0.481 206 HE2 TYR 32 2HE TYR 32 -9.978 10.247 -3.066 207 HH TYR 32 HH TYR 32 -9.939 10.768 -0.201 208 H ASP 33 H ASP 33 -6.211 5.918 -4.856 209 HA ASP 33 HA ASP 33 -5.986 3.732 -6.748 210 1HB ASP 33 1HB ASP 33 -4.796 5.740 -7.387 211 2HB ASP 33 2HB ASP 33 -4.041 5.875 -5.792 212 HD2 ASP 33 HD2 ASP 33 -1.405 3.926 -6.758 213 H VAL 34 H VAL 34 -5.688 1.733 -5.745 214 HA VAL 34 HA VAL 34 -4.725 1.594 -3.059 215 HB VAL 34 HB VAL 34 -6.061 -0.091 -5.001 216 1HG1 VAL 34 1HG1 VAL 34 -3.797 -1.198 -4.985 217 2HG1 VAL 34 2HG1 VAL 34 -4.034 -1.511 -3.248 218 3HG1 VAL 34 3HG1 VAL 34 -5.141 -2.231 -4.441 219 1HG2 VAL 34 1HG2 VAL 34 -5.988 -0.965 -2.197 220 2HG2 VAL 34 2HG2 VAL 34 -6.433 0.745 -2.399 221 3HG2 VAL 34 3HG2 VAL 34 -7.371 -0.523 -3.226 222 H GLY 35 H GLY 35 -2.735 0.770 -2.313 223 1HA GLY 35 1HA GLY 35 -0.771 -0.466 -3.783 224 2HA GLY 35 2HA GLY 35 -0.512 1.246 -4.045 225 H GLN 36 H GLN 36 1.373 -0.402 -2.681 226 HA GLN 36 HA GLN 36 0.952 0.220 0.111 227 1HB GLN 36 1HB GLN 36 3.442 -1.140 -0.837 228 2HB GLN 36 2HB GLN 36 2.459 -1.466 0.602 229 1HG GLN 36 1HG GLN 36 1.340 -3.093 -0.488 230 2HG GLN 36 2HG GLN 36 0.895 -1.982 -1.792 231 1HE2 GLN 36 1HE2 GLN 36 2.954 -1.362 -3.152 232 2HE2 GLN 36 2HE2 GLN 36 3.870 -2.703 -3.753 233 H CYS 37 H CYS 37 1.454 2.334 0.588 234 HA CYS 37 HA CYS 37 3.891 3.398 -0.630 235 1HB CYS 37 1HB CYS 37 1.571 4.524 -0.870 236 2HB CYS 37 2HB CYS 37 1.837 5.067 0.791 237 H ALA 38 H ALA 38 5.355 4.636 0.827 238 HA ALA 38 HA ALA 38 5.044 4.864 3.548 239 1HB ALA 38 1HB ALA 38 4.924 2.506 3.832 240 2HB ALA 38 2HB ALA 38 6.238 2.218 2.667 241 3HB ALA 38 3HB ALA 38 6.596 2.940 4.255 242 H TRP 39 H TRP 39 7.131 5.489 4.613 243 HA TRP 39 HA TRP 39 8.630 7.125 2.941 244 1HB TRP 39 1HB TRP 39 10.175 7.261 4.909 245 2HB TRP 39 2HB TRP 39 8.491 7.694 5.209 246 HD1 TRP 39 HD TRP 39 7.014 5.687 6.549 247 HE1 TRP 39 1HE TRP 39 7.705 3.959 8.419 248 HE3 TRP 39 3HE TRP 39 12.016 5.955 5.683 249 HZ2 TRP 39 2HZ TRP 39 10.210 2.920 9.306 250 HZ3 TRP 39 3HZ TRP 39 13.517 4.551 7.097 251 HH2 TRP 39 HH TRP 39 12.688 3.072 8.856 252 H VAL 40 H VAL 40 9.598 6.124 1.163 253 HA VAL 40 HA VAL 40 11.025 3.651 1.547 254 HB VAL 40 HB VAL 40 9.649 4.808 -0.519 255 1HG1 VAL 40 1HG1 VAL 40 12.612 5.066 -1.131 256 2HG1 VAL 40 2HG1 VAL 40 11.304 5.175 -2.334 257 3HG1 VAL 40 3HG1 VAL 40 11.424 6.387 -1.035 258 1HG2 VAL 40 1HG2 VAL 40 11.199 2.925 -1.805 259 2HG2 VAL 40 2HG2 VAL 40 11.344 2.442 -0.098 260 3HG2 VAL 40 3HG2 VAL 40 9.736 2.587 -0.850 261 H ASP 41 H ASP 41 11.760 7.108 0.760 262 HA ASP 41 HA ASP 41 14.561 6.506 0.965 263 1HB ASP 41 1HB ASP 41 13.223 8.226 -0.612 264 2HB ASP 41 2HB ASP 41 13.513 9.320 0.749 265 HD2 ASP 41 HD2 ASP 41 16.264 9.708 -1.527 266 H THR 42 H THR 42 15.054 9.363 1.985 267 HA THR 42 HA THR 42 14.965 8.727 4.787 268 HB THR 42 HB THR 42 16.100 10.922 3.016 269 HG1 THR 42 1HG THR 42 17.240 8.892 3.390 270 1HG2 THR 42 1HG2 THR 42 17.154 11.336 5.566 271 2HG2 THR 42 2HG2 THR 42 15.951 12.388 4.784 272 3HG2 THR 42 3HG2 THR 42 15.423 11.107 5.902 273 H GLY 43 H GLY 43 12.773 8.593 5.357 274 1HA GLY 43 1HA GLY 43 10.842 9.418 6.159 275 2HA GLY 43 2HA GLY 43 11.627 10.980 6.265 276 H VAL 44 H VAL 44 11.497 9.327 3.137 277 HA VAL 44 HA VAL 44 9.596 11.373 2.247 278 HB VAL 44 HB VAL 44 11.560 9.691 0.678 279 1HG1 VAL 44 1HG1 VAL 44 11.086 11.458 -1.096 280 2HG1 VAL 44 2HG1 VAL 44 9.786 10.286 -0.780 281 3HG1 VAL 44 3HG1 VAL 44 9.681 11.931 -0.112 282 1HG2 VAL 44 1HG2 VAL 44 11.855 12.210 2.165 283 2HG2 VAL 44 2HG2 VAL 44 13.092 11.088 1.544 284 3HG2 VAL 44 3HG2 VAL 44 12.380 12.311 0.466 285 H LEU 45 H LEU 45 7.557 10.543 2.529 286 HA LEU 45 HA LEU 45 6.916 7.849 2.415 287 1HB LEU 45 1HB LEU 45 5.454 10.425 2.313 288 2HB LEU 45 2HB LEU 45 4.577 8.967 1.809 289 HG LEU 45 HG LEU 45 6.052 8.863 4.398 290 1HD1 LEU 45 1HD1 LEU 45 4.448 11.080 3.905 291 2HD1 LEU 45 2HD1 LEU 45 3.385 9.958 4.788 292 3HD1 LEU 45 3HD1 LEU 45 4.943 10.449 5.496 293 1HD2 LEU 45 1HD2 LEU 45 3.264 7.988 4.298 294 2HD2 LEU 45 2HD2 LEU 45 4.285 7.215 3.061 295 3HD2 LEU 45 3HD2 LEU 45 4.732 7.106 4.781 296 H ALA 46 H ALA 46 7.960 6.859 0.624 297 HA ALA 46 HA ALA 46 7.046 7.767 -2.003 298 1HB ALA 46 1HB ALA 46 9.513 6.736 -0.917 299 2HB ALA 46 2HB ALA 46 8.931 5.642 -2.195 300 3HB ALA 46 3HB ALA 46 9.187 7.367 -2.549 301 H CYS 47 H CYS 47 6.197 6.191 -3.540 302 HA CYS 47 HA CYS 47 4.926 3.955 -2.137 303 1HB CYS 47 1HB CYS 47 3.899 5.164 -4.685 304 2HB CYS 47 2HB CYS 47 3.048 4.144 -3.521 305 H ASN 48 H ASN 48 4.797 1.912 -3.355 306 HA ASN 48 HA ASN 48 7.146 1.480 -4.850 307 1HB ASN 48 1HB ASN 48 4.817 -0.461 -4.733 308 2HB ASN 48 2HB ASN 48 6.547 -0.830 -4.754 309 1HD2 ASN 48 1HD2 ASN 48 7.128 1.323 -2.831 310 2HD2 ASN 48 2HD2 ASN 48 6.659 0.744 -1.269 311 HA PRO 49 HA PRO 49 5.408 1.642 -8.878 312 1HB PRO 49 1HB PRO 49 6.435 -0.516 -10.202 313 2HB PRO 49 2HB PRO 49 7.349 0.963 -9.913 314 1HG PRO 49 1HG PRO 49 7.503 -1.658 -8.566 315 2HG PRO 49 2HG PRO 49 8.731 -0.343 -8.607 316 1HD PRO 49 1HD PRO 49 6.980 -1.080 -6.464 317 2HD PRO 49 2HD PRO 49 8.058 0.322 -6.510 318 H ALA 50 H ALA 50 4.569 -0.917 -6.897 319 HA ALA 50 HA ALA 50 2.444 -1.683 -8.773 320 1HB ALA 50 1HB ALA 50 3.824 -3.117 -6.483 321 2HB ALA 50 2HB ALA 50 2.291 -3.691 -7.181 322 3HB ALA 50 3HB ALA 50 3.747 -3.590 -8.196 323 H ASP 51 H ASP 51 2.838 0.684 -6.714 324 HA ASP 51 HA ASP 51 0.703 0.084 -4.897 325 1HB ASP 51 1HB ASP 51 2.326 1.390 -3.850 326 2HB ASP 51 2HB ASP 51 2.669 2.332 -5.307 327 HD2 ASP 51 HD2 ASP 51 0.040 3.657 -2.703 328 H PHE 52 H PHE 52 0.714 0.666 -8.085 329 HA PHE 52 HA PHE 52 -1.360 2.736 -8.019 330 1HB PHE 52 1HB PHE 52 -0.051 1.574 -10.503 331 2HB PHE 52 2HB PHE 52 -0.621 3.228 -10.244 332 HD1 PHE 52 1HD PHE 52 0.774 3.939 -7.751 333 HD2 PHE 52 2HD PHE 52 2.162 1.794 -11.139 334 HE1 PHE 52 1HE PHE 52 3.126 4.652 -7.240 335 HE2 PHE 52 2HE PHE 52 4.513 2.505 -10.628 336 HZ PHE 52 HZ PHE 52 4.968 3.927 -8.684 337 H SER 53 H SER 53 -3.223 1.537 -7.524 338 HA SER 53 HA SER 53 -4.111 -0.119 -9.693 339 1HB SER 53 1HB SER 53 -2.920 -1.595 -7.947 340 2HB SER 53 2HB SER 53 -4.281 -1.235 -6.871 341 HG SER 53 HG SER 53 -4.981 -2.079 -9.469 342 H SER 54 H SER 54 -5.615 1.644 -10.011 343 HA SER 54 HA SER 54 -7.076 2.879 -8.116 344 1HB SER 54 1HB SER 54 -6.976 3.310 -10.629 345 2HB SER 54 2HB SER 54 -8.216 2.057 -10.817 346 HG SER 54 HG SER 54 -9.223 4.112 -10.701 347 H VAL 55 H VAL 55 -9.105 2.524 -7.064 348 HA VAL 55 HA VAL 55 -10.679 0.238 -7.649 349 HB VAL 55 HB VAL 55 -8.486 -0.426 -6.240 350 1HG1 VAL 55 1HG1 VAL 55 -9.228 -0.704 -3.839 351 2HG1 VAL 55 2HG1 VAL 55 -8.866 0.965 -4.335 352 3HG1 VAL 55 3HG1 VAL 55 -10.558 0.426 -4.193 353 1HG2 VAL 55 1HG2 VAL 55 -9.467 -2.458 -6.127 354 2HG2 VAL 55 2HG2 VAL 55 -10.906 -1.836 -5.281 355 3HG2 VAL 55 3HG2 VAL 55 -10.772 -1.675 -7.049 356 H THR 56 H THR 56 -12.398 0.005 -5.743 357 HA THR 56 HA THR 56 -12.837 2.558 -4.417 358 HB THR 56 HB THR 56 -14.252 1.601 -6.851 359 HG1 THR 56 1HG THR 56 -14.819 4.005 -6.546 360 1HG2 THR 56 1HG2 THR 56 -16.416 2.684 -6.020 361 2HG2 THR 56 2HG2 THR 56 -16.088 1.084 -5.316 362 3HG2 THR 56 3HG2 THR 56 -15.768 2.557 -4.368 363 H ALA 57 H ALA 57 -14.561 2.449 -2.782 364 HA ALA 57 HA ALA 57 -14.718 -0.291 -1.748 365 1HB ALA 57 1HB ALA 57 -14.411 2.428 -0.556 366 2HB ALA 57 2HB ALA 57 -15.425 1.273 0.345 367 3HB ALA 57 3HB ALA 57 -13.735 0.865 -0.035 368 H ASP 58 H ASP 58 -16.749 -1.076 -0.916 369 HA ASP 58 HA ASP 58 -18.904 -0.311 -2.506 370 1HB ASP 58 1HB ASP 58 -19.098 -1.826 0.120 371 2HB ASP 58 2HB ASP 58 -20.144 -1.992 -1.297 372 HD2 ASP 58 HD2 ASP 58 -17.902 -4.805 -1.273 373 H ALA 59 H ALA 59 -21.085 0.456 -1.600 374 HA ALA 59 HA ALA 59 -21.008 2.857 -0.420 375 1HB ALA 59 1HB ALA 59 -23.292 1.179 0.457 376 2HB ALA 59 2HB ALA 59 -23.276 2.691 -0.484 377 3HB ALA 59 3HB ALA 59 -22.956 1.136 -1.291 378 H ASN 60 H ASN 60 -20.915 -0.339 1.210 379 HA ASN 60 HA ASN 60 -21.032 0.920 3.775 380 1HB ASN 60 1HB ASN 60 -21.689 -1.596 2.814 381 2HB ASN 60 2HB ASN 60 -20.146 -1.921 3.621 382 1HD2 ASN 60 1HD2 ASN 60 -20.932 -3.047 5.317 383 2HD2 ASN 60 2HD2 ASN 60 -21.936 -2.390 6.565 384 H GLY 61 H GLY 61 -18.840 1.823 2.117 385 1HA GLY 61 1HA GLY 61 -16.584 1.942 1.966 386 2HA GLY 61 2HA GLY 61 -16.680 1.861 3.715 387 H SER 62 H SER 62 -17.505 -0.720 1.317 388 HA SER 62 HA SER 62 -15.526 -2.364 2.668 389 1HB SER 62 1HB SER 62 -17.909 -3.116 0.931 390 2HB SER 62 2HB SER 62 -16.789 -4.286 1.649 391 HG SER 62 HG SER 62 -17.453 -3.576 3.746 392 H ALA 63 H ALA 63 -13.581 -1.996 1.579 393 HA ALA 63 HA ALA 63 -13.676 -2.145 -1.350 394 1HB ALA 63 1HB ALA 63 -11.102 -1.382 -0.436 395 2HB ALA 63 2HB ALA 63 -12.336 -0.347 -1.198 396 3HB ALA 63 3HB ALA 63 -12.270 -0.497 0.576 397 H SER 64 H SER 64 -13.680 -4.356 -1.772 398 HA SER 64 HA SER 64 -11.574 -5.868 -0.451 399 1HB SER 64 1HB SER 64 -12.896 -7.859 -1.425 400 2HB SER 64 2HB SER 64 -13.644 -6.966 -0.089 401 HG SER 64 HG SER 64 -14.232 -6.778 -2.917 402 H THR 65 H THR 65 -9.945 -4.870 -1.919 403 HA THR 65 HA THR 65 -10.140 -5.897 -4.671 404 HB THR 65 HB THR 65 -10.040 -3.420 -4.460 405 HG1 THR 65 1HG THR 65 -7.787 -3.355 -5.567 406 1HG2 THR 65 1HG2 THR 65 -7.830 -2.442 -3.648 407 2HG2 THR 65 2HG2 THR 65 -8.834 -3.114 -2.344 408 3HG2 THR 65 3HG2 THR 65 -7.444 -4.037 -2.958 409 H SER 66 H SER 66 -8.734 -7.390 -5.400 410 HA SER 66 HA SER 66 -6.829 -8.329 -3.453 411 1HB SER 66 1HB SER 66 -6.671 -10.313 -4.816 412 2HB SER 66 2HB SER 66 -8.388 -9.893 -4.685 413 HG SER 66 HG SER 66 -7.277 -10.445 -6.899 414 H LEU 67 H LEU 67 -4.600 -8.101 -3.658 415 HA LEU 67 HA LEU 67 -3.502 -7.376 -6.231 416 1HB LEU 67 1HB LEU 67 -4.212 -5.386 -4.397 417 2HB LEU 67 2HB LEU 67 -2.450 -5.545 -4.275 418 HG LEU 67 HG LEU 67 -3.958 -5.113 -6.867 419 1HD1 LEU 67 1HD1 LEU 67 -4.325 -3.041 -6.107 420 2HD1 LEU 67 2HD1 LEU 67 -3.165 -3.218 -4.769 421 3HD1 LEU 67 3HD1 LEU 67 -2.588 -2.787 -6.396 422 1HD2 LEU 67 1HD2 LEU 67 -1.012 -5.030 -6.167 423 2HD2 LEU 67 2HD2 LEU 67 -1.842 -6.157 -7.267 424 3HD2 LEU 67 3HD2 LEU 67 -1.700 -4.437 -7.700 425 H THR 68 H THR 68 -0.933 -6.933 -5.716 426 HA THR 68 HA THR 68 -0.167 -9.261 -4.089 427 HB THR 68 HB THR 68 1.377 -7.880 -6.342 428 HG1 THR 68 1HG THR 68 -0.587 -10.043 -6.159 429 1HG2 THR 68 1HG2 THR 68 2.117 -10.441 -6.484 430 2HG2 THR 68 2HG2 THR 68 2.908 -9.358 -5.313 431 3HG2 THR 68 3HG2 THR 68 1.623 -10.465 -4.773 432 H VAL 69 H VAL 69 1.132 -9.059 -2.348 433 HA VAL 69 HA VAL 69 1.802 -6.337 -1.597 434 HB VAL 69 HB VAL 69 0.619 -7.918 -0.078 435 1HG1 VAL 69 1HG1 VAL 69 3.241 -9.311 0.413 436 2HG1 VAL 69 2HG1 VAL 69 1.583 -9.837 0.797 437 3HG1 VAL 69 3HG1 VAL 69 2.163 -9.878 -0.888 438 1HG2 VAL 69 1HG2 VAL 69 2.238 -7.496 1.898 439 2HG2 VAL 69 2HG2 VAL 69 3.257 -6.669 0.694 440 3HG2 VAL 69 3HG2 VAL 69 1.602 -6.091 1.010 441 H ARG 70 H ARG 70 3.501 -5.906 -3.121 442 HA ARG 70 HA ARG 70 5.773 -7.667 -2.959 443 1HB ARG 70 1HB ARG 70 5.442 -5.114 -4.596 444 2HB ARG 70 2HB ARG 70 6.654 -6.382 -4.854 445 1HG ARG 70 1HG ARG 70 4.158 -7.706 -4.884 446 2HG ARG 70 2HG ARG 70 3.895 -6.218 -5.812 447 1HD ARG 70 1HD ARG 70 5.627 -6.765 -7.362 448 2HD ARG 70 2HD ARG 70 6.304 -8.013 -6.304 449 HE ARG 70 HE ARG 70 3.547 -8.579 -7.029 450 1HH1 ARG 70 1HH1 ARG 70 6.862 -8.771 -8.195 451 2HH1 ARG 70 2HH1 ARG 70 6.537 -10.079 -9.283 452 1HH2 ARG 70 1HH2 ARG 70 3.119 -10.305 -8.465 453 2HH2 ARG 70 2HH2 ARG 70 4.395 -10.957 -9.438 454 H ARG 71 H ARG 71 7.401 -7.271 -1.492 455 HA ARG 71 HA ARG 71 7.419 -4.701 -0.218 456 1HB ARG 71 1HB ARG 71 7.582 -6.685 1.203 457 2HB ARG 71 2HB ARG 71 8.990 -7.273 0.302 458 1HG ARG 71 1HG ARG 71 10.111 -5.038 0.989 459 2HG ARG 71 2HG ARG 71 8.794 -4.876 2.163 460 1HD ARG 71 1HD ARG 71 10.900 -5.953 3.070 461 2HD ARG 71 2HD ARG 71 9.447 -6.943 3.270 462 HE ARG 71 HE ARG 71 10.847 -7.511 0.780 463 1HH1 ARG 71 1HH1 ARG 71 10.820 -8.189 4.234 464 2HH1 ARG 71 2HH1 ARG 71 11.631 -9.711 4.070 465 1HH2 ARG 71 1HH2 ARG 71 11.916 -9.518 0.565 466 2HH2 ARG 71 2HH2 ARG 71 12.258 -10.472 1.970 467 H SER 72 H SER 72 9.352 -6.718 -2.443 468 HA SER 72 HA SER 72 11.486 -4.768 -2.367 469 1HB SER 72 1HB SER 72 12.761 -6.378 -3.675 470 2HB SER 72 2HB SER 72 12.029 -7.207 -2.290 471 HG SER 72 HG SER 72 11.820 -8.400 -4.309 472 H PHE 73 H PHE 73 11.376 -3.051 -3.762 473 HA PHE 73 HA PHE 73 11.003 -3.373 -6.498 474 1HB PHE 73 1HB PHE 73 8.610 -3.316 -4.896 475 2HB PHE 73 2HB PHE 73 8.709 -1.733 -5.677 476 HD1 PHE 73 1HD PHE 73 10.157 -2.900 -8.190 477 HD2 PHE 73 2HD PHE 73 6.629 -3.970 -6.089 478 HE1 PHE 73 1HE PHE 73 9.207 -3.893 -10.289 479 HE2 PHE 73 2HE PHE 73 5.678 -4.962 -8.189 480 HZ PHE 73 HZ PHE 73 6.979 -4.913 -10.264 481 H GLU 74 H GLU 74 10.788 -1.164 -7.625 482 HA GLU 74 HA GLU 74 12.468 0.631 -6.183 483 1HB GLU 74 1HB GLU 74 12.919 0.238 -8.528 484 2HB GLU 74 2HB GLU 74 11.277 0.718 -8.988 485 1HG GLU 74 1HG GLU 74 12.102 2.800 -9.282 486 2HG GLU 74 2HG GLU 74 12.242 2.911 -7.520 487 HE2 GLU 74 HE2 GLU 74 15.704 1.937 -7.801 488 H GLY 75 H GLY 75 11.614 2.039 -4.714 489 1HA GLY 75 1HA GLY 75 8.841 2.808 -4.845 490 2HA GLY 75 2HA GLY 75 10.030 3.269 -3.642 491 H PHE 76 H PHE 76 8.171 5.130 -4.730 492 HA PHE 76 HA PHE 76 10.027 6.866 -6.189 493 1HB PHE 76 1HB PHE 76 7.012 6.392 -6.537 494 2HB PHE 76 2HB PHE 76 7.886 7.689 -7.358 495 HD1 PHE 76 1HD PHE 76 7.776 3.991 -6.989 496 HD2 PHE 76 2HD PHE 76 8.882 7.283 -9.428 497 HE1 PHE 76 1HE PHE 76 8.308 2.418 -8.872 498 HE2 PHE 76 2HE PHE 76 9.415 5.712 -11.309 499 HZ PHE 76 HZ PHE 76 9.121 3.297 -11.009 500 H LEU 77 H LEU 77 10.209 8.932 -5.382 501 HA LEU 77 HA LEU 77 8.986 9.459 -2.875 502 1HB LEU 77 1HB LEU 77 10.563 11.296 -4.669 503 2HB LEU 77 2HB LEU 77 10.240 11.517 -2.940 504 HG LEU 77 HG LEU 77 12.465 10.786 -3.088 505 1HD1 LEU 77 1HD1 LEU 77 11.888 9.552 -1.306 506 2HD1 LEU 77 2HD1 LEU 77 10.482 8.834 -2.124 507 3HD1 LEU 77 3HD1 LEU 77 12.109 8.171 -2.408 508 1HD2 LEU 77 1HD2 LEU 77 11.950 9.866 -5.531 509 2HD2 LEU 77 2HD2 LEU 77 13.371 9.341 -4.596 510 3HD2 LEU 77 3HD2 LEU 77 11.920 8.314 -4.662 511 H PHE 78 H PHE 78 7.289 10.833 -2.341 512 HA PHE 78 HA PHE 78 5.284 11.149 -4.231 513 1HB PHE 78 1HB PHE 78 4.157 11.966 -2.344 514 2HB PHE 78 2HB PHE 78 5.560 11.291 -1.508 515 HD1 PHE 78 1HD PHE 78 7.516 12.887 -1.052 516 HD2 PHE 78 2HD PHE 78 3.642 14.221 -2.150 517 HE1 PHE 78 1HE PHE 78 8.034 15.159 -0.116 518 HE2 PHE 78 2HE PHE 78 4.157 16.493 -1.214 519 HZ PHE 78 HZ PHE 78 6.347 16.934 -0.208 520 H ASP 79 H ASP 79 8.083 13.150 -3.447 521 HA ASP 79 HA ASP 79 7.212 15.614 -4.143 522 1HB ASP 79 1HB ASP 79 9.495 14.972 -3.298 523 2HB ASP 79 2HB ASP 79 9.895 14.372 -4.916 524 HD2 ASP 79 HD2 ASP 79 9.367 18.097 -5.590 525 H GLY 80 H GLY 80 8.705 13.055 -6.271 526 1HA GLY 80 1HA GLY 80 7.080 13.149 -8.415 527 2HA GLY 80 2HA GLY 80 8.108 14.543 -8.679 528 H THR 81 H THR 81 10.401 13.183 -7.155 529 HA THR 81 HA THR 81 11.429 11.761 -9.460 530 HB THR 81 HB THR 81 12.802 12.342 -6.797 531 HG1 THR 81 1HG THR 81 12.574 13.962 -9.229 532 1HG2 THR 81 1HG2 THR 81 13.630 11.686 -9.620 533 2HG2 THR 81 2HG2 THR 81 14.598 12.902 -8.752 534 3HG2 THR 81 3HG2 THR 81 14.425 11.262 -8.085 535 H ARG 82 H ARG 82 12.747 9.713 -9.061 536 HA ARG 82 HA ARG 82 11.093 8.023 -7.368 537 1HB ARG 82 1HB ARG 82 11.850 6.149 -8.841 538 2HB ARG 82 2HB ARG 82 11.012 7.413 -9.759 539 1HG ARG 82 1HG ARG 82 13.190 8.358 -10.443 540 2HG ARG 82 2HG ARG 82 14.044 7.123 -9.500 541 1HD ARG 82 1HD ARG 82 14.017 5.850 -11.370 542 2HD ARG 82 2HD ARG 82 12.273 5.656 -11.129 543 HE ARG 82 HE ARG 82 12.764 8.151 -12.447 544 1HH1 ARG 82 1HH1 ARG 82 12.926 4.693 -13.075 545 2HH1 ARG 82 2HH1 ARG 82 12.656 4.860 -14.779 546 1HH2 ARG 82 1HH2 ARG 82 12.408 8.373 -14.693 547 2HH2 ARG 82 2HH2 ARG 82 12.359 6.968 -15.704 548 H TRP 83 H TRP 83 12.114 6.566 -5.887 549 HA TRP 83 HA TRP 83 14.950 7.159 -5.442 550 1HB TRP 83 1HB TRP 83 13.705 7.714 -3.546 551 2HB TRP 83 2HB TRP 83 12.716 6.257 -3.640 552 HD1 TRP 83 HD TRP 83 13.725 4.055 -2.475 553 HE1 TRP 83 1HE TRP 83 15.768 3.513 -0.896 554 HE3 TRP 83 3HE TRP 83 16.121 8.484 -3.182 555 HZ2 TRP 83 2HZ TRP 83 18.105 4.964 -0.137 556 HZ3 TRP 83 3HZ TRP 83 18.278 8.841 -1.985 557 HH2 TRP 83 HH TRP 83 19.272 7.168 -0.505 558 H GLY 84 H GLY 84 13.104 4.314 -4.288 559 1HA GLY 84 1HA GLY 84 13.373 2.364 -6.025 560 2HA GLY 84 2HA GLY 84 15.061 2.577 -5.599 561 H THR 85 H THR 85 15.655 2.467 -3.225 562 HA THR 85 HA THR 85 15.629 1.447 -1.249 563 HB THR 85 HB THR 85 12.622 1.603 -1.765 564 HG1 THR 85 1HG THR 85 13.186 3.171 0.135 565 1HG2 THR 85 1HG2 THR 85 13.526 1.385 1.035 566 2HG2 THR 85 2HG2 THR 85 12.177 0.554 0.225 567 3HG2 THR 85 3HG2 THR 85 13.825 -0.112 0.119 568 H VAL 86 H VAL 86 13.192 -0.196 -3.377 569 HA VAL 86 HA VAL 86 13.110 -2.284 -4.109 570 HB VAL 86 HB VAL 86 15.914 -2.489 -2.993 571 1HG1 VAL 86 1HG1 VAL 86 15.607 -4.333 -5.076 572 2HG1 VAL 86 2HG1 VAL 86 15.741 -4.690 -3.338 573 3HG1 VAL 86 3HG1 VAL 86 14.137 -4.512 -4.090 574 1HG2 VAL 86 1HG2 VAL 86 15.620 -0.791 -4.776 575 2HG2 VAL 86 2HG2 VAL 86 16.651 -2.148 -5.287 576 3HG2 VAL 86 3HG2 VAL 86 14.966 -2.054 -5.845 577 H ASP 87 H ASP 87 15.212 -3.662 -1.682 578 HA ASP 87 HA ASP 87 13.210 -5.208 -0.631 579 1HB ASP 87 1HB ASP 87 15.956 -5.022 -0.391 580 2HB ASP 87 2HB ASP 87 15.436 -4.550 1.233 581 HD2 ASP 87 HD2 ASP 87 15.838 -8.085 1.367 582 H CYS 88 H CYS 88 11.391 -3.914 0.068 583 HA CYS 88 HA CYS 88 11.786 -1.692 1.792 584 1HB CYS 88 1HB CYS 88 9.940 -1.759 0.231 585 2HB CYS 88 2HB CYS 88 9.281 -3.199 1.015 586 H THR 89 H THR 89 13.237 -3.392 3.148 587 HA THR 89 HA THR 89 11.498 -4.780 5.066 588 HB THR 89 HB THR 89 13.518 -6.104 5.551 589 HG1 THR 89 1HG THR 89 15.002 -4.270 5.291 590 1HG2 THR 89 1HG2 THR 89 14.236 -6.771 3.137 591 2HG2 THR 89 2HG2 THR 89 12.520 -7.001 3.550 592 3HG2 THR 89 3HG2 THR 89 13.022 -5.592 2.583 593 H THR 90 H THR 90 13.369 -1.921 4.603 594 HA THR 90 HA THR 90 13.907 -1.631 7.449 595 HB THR 90 HB THR 90 15.609 -0.993 5.721 596 HG1 THR 90 1HG THR 90 15.840 1.175 6.688 597 1HG2 THR 90 1HG2 THR 90 15.252 0.928 4.279 598 2HG2 THR 90 2HG2 THR 90 13.879 -0.167 3.994 599 3HG2 THR 90 3HG2 THR 90 13.673 1.269 5.026 600 H ALA 91 H ALA 91 12.074 0.134 4.862 601 HA ALA 91 HA ALA 91 10.647 1.545 6.967 602 1HB ALA 91 1HB ALA 91 9.637 2.296 4.463 603 2HB ALA 91 2HB ALA 91 10.869 3.161 5.414 604 3HB ALA 91 3HB ALA 91 11.366 1.991 4.169 605 H ALA 92 H ALA 92 8.510 1.179 7.508 606 HA ALA 92 HA ALA 92 7.412 -1.318 6.703 607 1HB ALA 92 1HB ALA 92 7.234 0.209 8.924 608 2HB ALA 92 2HB ALA 92 5.745 0.729 8.100 609 3HB ALA 92 3HB ALA 92 5.998 -0.991 8.479 610 H CYS 93 H CYS 93 6.299 -1.716 4.864 611 HA CYS 93 HA CYS 93 5.313 0.558 3.375 612 1HB CYS 93 1HB CYS 93 4.817 -2.084 2.246 613 2HB CYS 93 2HB CYS 93 5.607 -0.671 1.540 614 H GLN 94 H GLN 94 3.188 1.196 3.532 615 HA GLN 94 HA GLN 94 1.376 -0.702 4.785 616 1HB GLN 94 1HB GLN 94 0.190 1.100 5.660 617 2HB GLN 94 2HB GLN 94 1.847 1.733 5.671 618 1HG GLN 94 1HG GLN 94 1.396 2.835 3.474 619 2HG GLN 94 2HG GLN 94 -0.272 2.249 3.530 620 1HE2 GLN 94 1HE2 GLN 94 2.157 4.138 5.286 621 2HE2 GLN 94 2HE2 GLN 94 1.073 5.263 6.036 622 H VAL 95 H VAL 95 -0.160 -1.695 3.551 623 HA VAL 95 HA VAL 95 -0.474 -0.783 0.818 624 HB VAL 95 HB VAL 95 -1.902 -3.119 2.029 625 1HG1 VAL 95 1HG1 VAL 95 -1.252 -4.082 -0.249 626 2HG1 VAL 95 2HG1 VAL 95 -2.437 -2.755 -0.244 627 3HG1 VAL 95 3HG1 VAL 95 -0.741 -2.432 -0.679 628 1HG2 VAL 95 1HG2 VAL 95 0.212 -4.464 1.414 629 2HG2 VAL 95 2HG2 VAL 95 1.068 -2.909 1.526 630 3HG2 VAL 95 3HG2 VAL 95 0.216 -3.558 2.945 631 H GLY 96 H GLY 96 -1.959 0.741 0.339 632 1HA GLY 96 1HA GLY 96 -4.657 0.475 1.296 633 2HA GLY 96 2HA GLY 96 -3.812 1.833 2.011 634 H LEU 97 H LEU 97 -5.867 2.684 0.612 635 HA LEU 97 HA LEU 97 -4.874 3.263 -2.087 636 1HB LEU 97 1HB LEU 97 -7.504 4.092 -1.936 637 2HB LEU 97 2HB LEU 97 -6.885 2.628 -2.718 638 HG LEU 97 HG LEU 97 -7.174 1.553 -0.367 639 1HD1 LEU 97 1HD1 LEU 97 -9.054 2.545 0.928 640 2HD1 LEU 97 2HD1 LEU 97 -7.577 3.537 0.930 641 3HD1 LEU 97 3HD1 LEU 97 -8.954 3.992 -0.102 642 1HD2 LEU 97 1HD2 LEU 97 -9.382 2.234 -2.303 643 2HD2 LEU 97 2HD2 LEU 97 -8.476 0.714 -2.114 644 3HD2 LEU 97 3HD2 LEU 97 -9.667 1.198 -0.883 645 H SER 98 H SER 98 -4.170 5.284 -2.546 646 HA SER 98 HA SER 98 -4.337 7.206 -0.433 647 1HB SER 98 1HB SER 98 -2.826 8.542 -1.849 648 2HB SER 98 2HB SER 98 -2.221 6.886 -1.667 649 HG SER 98 HG SER 98 -2.120 7.727 -3.882 650 H ASP 99 H ASP 99 -5.123 9.455 -0.799 651 HA ASP 99 HA ASP 99 -7.505 9.367 -2.391 652 1HB ASP 99 1HB ASP 99 -6.569 11.829 -0.931 653 2HB ASP 99 2HB ASP 99 -8.218 11.221 -1.133 654 HD2 ASP 99 HD2 ASP 99 -6.033 9.582 1.774 655 H ALA 100 H ALA 100 -8.020 11.388 -3.798 656 HA ALA 100 HA ALA 100 -5.688 11.973 -5.413 657 1HB ALA 100 1HB ALA 100 -8.664 12.078 -5.688 658 2HB ALA 100 2HB ALA 100 -7.720 13.242 -6.651 659 3HB ALA 100 3HB ALA 100 -7.429 11.495 -6.830 660 H ALA 101 H ALA 101 -6.412 13.100 -2.549 661 HA ALA 101 HA ALA 101 -6.360 15.938 -3.276 662 1HB ALA 101 1HB ALA 101 -7.027 14.454 -0.707 663 2HB ALA 101 2HB ALA 101 -6.891 16.226 -0.818 664 3HB ALA 101 3HB ALA 101 -8.139 15.368 -1.753 665 H GLY 102 H GLY 102 -5.084 14.304 -0.336 666 1HA GLY 102 1HA GLY 102 -2.390 14.225 -1.004 667 2HA GLY 102 2HA GLY 102 -2.697 15.832 -0.379 668 H ASN 103 H ASN 103 -4.126 12.609 0.498 669 HA ASN 103 HA ASN 103 -2.933 12.953 3.121 670 1HB ASN 103 1HB ASN 103 -5.712 11.805 2.936 671 2HB ASN 103 2HB ASN 103 -4.968 12.700 4.271 672 1HD2 ASN 103 1HD2 ASN 103 -4.068 14.952 3.166 673 2HD2 ASN 103 2HD2 ASN 103 -5.343 15.910 2.488 674 H GLY 104 H GLY 104 -2.860 10.804 4.331 675 1HA GLY 104 1HA GLY 104 -3.218 8.463 2.576 676 2HA GLY 104 2HA GLY 104 -1.684 8.752 3.369 677 HA PRO 105 HA PRO 105 -4.738 7.928 6.879 678 1HB PRO 105 1HB PRO 105 -7.411 7.669 6.375 679 2HB PRO 105 2HB PRO 105 -6.667 9.184 6.888 680 1HG PRO 105 1HG PRO 105 -7.590 8.330 4.218 681 2HG PRO 105 2HG PRO 105 -7.294 10.000 4.823 682 1HD PRO 105 1HD PRO 105 -5.672 8.428 3.060 683 2HD PRO 105 2HD PRO 105 -5.259 10.003 3.751 684 H GLU 106 H GLU 106 -5.730 6.365 3.912 685 HA GLU 106 HA GLU 106 -6.121 3.913 5.344 686 1HB GLU 106 1HB GLU 106 -7.222 4.975 3.066 687 2HB GLU 106 2HB GLU 106 -6.048 3.839 2.374 688 1HG GLU 106 1HG GLU 106 -8.101 2.629 2.662 689 2HG GLU 106 2HG GLU 106 -7.020 2.067 3.947 690 HE2 GLU 106 HE2 GLU 106 -10.388 3.824 4.907 691 H GLY 107 H GLY 107 -4.862 1.966 5.021 692 1HA GLY 107 1HA GLY 107 -2.970 1.090 3.600 693 2HA GLY 107 2HA GLY 107 -2.116 2.536 4.094 694 H VAL 108 H VAL 108 -2.462 -0.711 4.760 695 HA VAL 108 HA VAL 108 -1.961 -0.342 7.627 696 HB VAL 108 HB VAL 108 -3.871 -1.771 6.880 697 1HG1 VAL 108 1HG1 VAL 108 -1.663 -3.590 5.858 698 2HG1 VAL 108 2HG1 VAL 108 -3.391 -4.007 5.975 699 3HG1 VAL 108 3HG1 VAL 108 -2.858 -2.725 4.862 700 1HG2 VAL 108 1HG2 VAL 108 -1.970 -2.196 8.904 701 2HG2 VAL 108 2HG2 VAL 108 -3.632 -2.832 8.830 702 3HG2 VAL 108 3HG2 VAL 108 -2.279 -3.803 8.202 703 H ALA 109 H ALA 109 0.100 -0.516 8.335 704 HA ALA 109 HA ALA 109 2.204 -1.007 6.561 705 1HB ALA 109 1HB ALA 109 2.946 -1.485 9.313 706 2HB ALA 109 2HB ALA 109 3.313 -0.083 8.282 707 3HB ALA 109 3HB ALA 109 1.810 -0.116 9.232 708 H ILE 110 H ILE 110 1.836 -2.996 5.461 709 HA ILE 110 HA ILE 110 1.706 -5.382 7.119 710 HB ILE 110 HB ILE 110 0.362 -4.732 4.909 711 1HG1 ILE 110 1HG1 ILE 110 -0.083 -7.137 4.610 712 2HG1 ILE 110 2HG1 ILE 110 1.283 -7.519 5.673 713 1HG2 ILE 110 1HG2 ILE 110 2.321 -6.570 3.631 714 2HG2 ILE 110 2HG2 ILE 110 1.277 -5.316 2.917 715 3HG2 ILE 110 3HG2 ILE 110 2.774 -4.855 3.763 716 1HD1 ILE 110 1HD1 ILE 110 -1.424 -6.868 6.389 717 2HD1 ILE 110 2HD1 ILE 110 -0.065 -7.263 7.470 718 3HD1 ILE 110 3HD1 ILE 110 -0.370 -5.572 7.003 719 H SER 111 H SER 111 3.180 -7.238 6.591 720 HA SER 111 HA SER 111 5.338 -7.272 5.111 721 1HB SER 111 1HB SER 111 5.714 -5.244 7.228 722 2HB SER 111 2HB SER 111 7.041 -6.413 7.116 723 HG SER 111 HG SER 111 6.531 -4.272 5.537 724 H PHE 112 H PHE 112 4.908 -7.249 8.731 725 HA PHE 112 HA PHE 112 5.173 -10.144 8.689 726 1HB PHE 112 1HB PHE 112 6.926 -10.022 10.426 727 2HB PHE 112 2HB PHE 112 7.455 -9.036 9.061 728 HD1 PHE 112 1HD PHE 112 7.213 -6.539 9.219 729 HD2 PHE 112 2HD PHE 112 6.611 -9.088 12.560 730 HE1 PHE 112 1HE PHE 112 7.499 -4.581 10.766 731 HE2 PHE 112 2HE PHE 112 6.897 -7.130 14.104 732 HZ PHE 112 HZ PHE 112 7.338 -4.899 13.189 733 H ASN 113 H ASN 113 3.437 -10.917 9.783 734 HA ASN 113 HA ASN 113 1.592 -9.541 11.053 735 1HB ASN 113 1HB ASN 113 0.984 -11.592 12.257 736 2HB ASN 113 2HB ASN 113 1.585 -12.039 10.654 737 1HD2 ASN 113 1HD2 ASN 113 1.577 -14.009 12.324 738 2HD2 ASN 113 2HD2 ASN 113 3.135 -14.390 12.979 739 6H NCZ 130 6H NCZ 130 2.676 13.187 0.108 740 6H1 NCZ 130 6H1 NCZ 130 0.114 11.830 -0.190 741 5H1 NCZ 130 5H1 NCZ 130 0.766 12.420 2.303 742 4H1 NCZ 130 4H1 NCZ 130 2.794 10.636 2.853 743 5H NCZ 130 5H NCZ 130 4.415 10.144 -0.360 744 3H1 NCZ 130 3H1 NCZ 130 2.797 9.100 0.960 745 2H1 NCZ 130 2H1 NCZ 130 1.609 11.122 -1.523 746 2H NCZ 130 2H NCZ 130 -0.011 7.869 -4.286 747 8H NCZ 130 8H NCZ 130 -0.907 4.829 -3.768 748 7H NCZ 130 7H NCZ 130 -1.594 3.830 -1.613 749 3H NCZ 130 3H NCZ 130 -0.792 4.870 2.902 750 1H17 NCZ 130 1H17 NCZ 130 1.337 8.493 4.475 751 2H17 NCZ 130 2H17 NCZ 130 1.956 8.576 2.808 752 3H17 NCZ 130 3H17 NCZ 130 0.274 9.039 3.157 753 1H18 NCZ 130 1H18 NCZ 130 -1.605 2.916 -0.032 754 2H18 NCZ 130 2H18 NCZ 130 -1.468 2.956 1.742 755 3H18 NCZ 130 3H18 NCZ 130 -2.805 3.808 0.934 756 1H NCZ 130 1H NCZ 130 1.214 7.949 0.786 Start of MODEL 41 1 H ALA 1 H ALA 1 -8.077 -7.039 6.351 2 HA ALA 1 HA ALA 1 -8.533 -9.698 7.418 3 1HB ALA 1 1HB ALA 1 -8.190 -8.416 9.609 4 2HB ALA 1 2HB ALA 1 -6.803 -8.452 8.493 5 3HB ALA 1 3HB ALA 1 -7.820 -6.994 8.604 6 H ALA 2 H ALA 2 -10.019 -6.387 7.548 7 HA ALA 2 HA ALA 2 -12.576 -7.029 7.134 8 1HB ALA 2 1HB ALA 2 -13.096 -7.038 9.875 9 2HB ALA 2 2HB ALA 2 -13.192 -8.440 8.782 10 3HB ALA 2 3HB ALA 2 -11.702 -8.131 9.707 11 HA PRO 3 HA PRO 3 -12.151 -3.104 9.747 12 1HB PRO 3 1HB PRO 3 -9.810 -2.583 11.054 13 2HB PRO 3 2HB PRO 3 -11.204 -3.330 11.831 14 1HG PRO 3 1HG PRO 3 -8.684 -4.537 10.889 15 2HG PRO 3 2HG PRO 3 -9.862 -5.187 12.085 16 1HD PRO 3 1HD PRO 3 -9.460 -5.991 9.367 17 2HD PRO 3 2HD PRO 3 -10.737 -6.550 10.455 18 H THR 4 H THR 4 -12.273 -1.564 8.251 19 HA THR 4 HA THR 4 -11.634 -0.395 6.447 20 HB THR 4 HB THR 4 -10.085 1.233 7.111 21 HG1 THR 4 1HG THR 4 -8.062 0.507 8.098 22 1HG2 THR 4 1HG2 THR 4 -11.501 0.709 9.174 23 2HG2 THR 4 2HG2 THR 4 -10.206 -0.387 9.707 24 3HG2 THR 4 3HG2 THR 4 -9.889 1.356 9.551 25 H ALA 5 H ALA 5 -9.295 0.123 5.097 26 HA ALA 5 HA ALA 5 -9.064 -2.219 3.560 27 1HB ALA 5 1HB ALA 5 -7.646 0.455 3.662 28 2HB ALA 5 2HB ALA 5 -7.130 -0.823 2.532 29 3HB ALA 5 3HB ALA 5 -8.781 -0.165 2.437 30 H THR 6 H THR 6 -8.070 -4.057 4.227 31 HA THR 6 HA THR 6 -5.362 -3.840 5.236 32 HB THR 6 HB THR 6 -6.208 -5.531 7.127 33 HG1 THR 6 1HG THR 6 -8.435 -5.131 7.567 34 1HG2 THR 6 1HG2 THR 6 -6.060 -3.778 8.634 35 2HG2 THR 6 2HG2 THR 6 -5.531 -2.857 7.204 36 3HG2 THR 6 3HG2 THR 6 -7.229 -2.785 7.730 37 H VAL 7 H VAL 7 -4.113 -5.714 4.916 38 HA VAL 7 HA VAL 7 -5.088 -7.321 2.773 39 HB VAL 7 HB VAL 7 -2.591 -7.894 4.325 40 1HG1 VAL 7 1HG1 VAL 7 -2.527 -7.678 1.388 41 2HG1 VAL 7 2HG1 VAL 7 -1.931 -8.967 2.460 42 3HG1 VAL 7 3HG1 VAL 7 -3.650 -8.912 2.003 43 1HG2 VAL 7 1HG2 VAL 7 -3.205 -5.392 2.788 44 2HG2 VAL 7 2HG2 VAL 7 -2.233 -5.619 4.261 45 3HG2 VAL 7 3HG2 VAL 7 -1.574 -6.095 2.678 46 H THR 8 H THR 8 -5.847 -9.420 2.801 47 HA THR 8 HA THR 8 -7.173 -10.413 4.933 48 HB THR 8 HB THR 8 -6.075 -11.417 2.365 49 HG1 THR 8 1HG THR 8 -8.343 -12.328 2.559 50 1HG2 THR 8 1HG2 THR 8 -5.273 -13.214 4.012 51 2HG2 THR 8 2HG2 THR 8 -6.973 -13.418 4.500 52 3HG2 THR 8 3HG2 THR 8 -6.477 -13.778 2.829 53 HA PRO 9 HA PRO 9 -3.433 -12.792 6.459 54 1HB PRO 9 1HB PRO 9 -1.006 -12.550 5.228 55 2HB PRO 9 2HB PRO 9 -2.146 -13.848 4.871 56 1HG PRO 9 1HG PRO 9 -1.504 -11.410 3.336 57 2HG PRO 9 2HG PRO 9 -2.278 -12.932 2.759 58 1HD PRO 9 1HD PRO 9 -3.506 -10.401 3.299 59 2HD PRO 9 2HD PRO 9 -4.332 -11.909 2.885 60 H SER 10 H SER 10 -0.761 -12.182 7.072 61 HA SER 10 HA SER 10 -1.009 -9.408 7.881 62 1HB SER 10 1HB SER 10 -1.206 -11.709 9.627 63 2HB SER 10 2HB SER 10 0.243 -10.773 10.047 64 HG SER 10 HG SER 10 -2.411 -9.653 9.735 65 H SER 11 H SER 11 1.013 -12.399 7.655 66 HA SER 11 HA SER 11 3.432 -10.991 7.910 67 1HB SER 11 1HB SER 11 2.538 -13.747 7.504 68 2HB SER 11 2HB SER 11 3.996 -13.393 6.561 69 HG SER 11 HG SER 11 4.729 -12.397 8.752 70 H GLY 12 H GLY 12 2.419 -9.328 6.186 71 1HA GLY 12 1HA GLY 12 2.183 -9.797 3.519 72 2HA GLY 12 2HA GLY 12 2.833 -8.324 4.211 73 H LEU 13 H LEU 13 5.157 -9.803 5.492 74 HA LEU 13 HA LEU 13 6.992 -9.444 3.427 75 1HB LEU 13 1HB LEU 13 8.565 -10.562 4.989 76 2HB LEU 13 2HB LEU 13 7.693 -9.172 5.656 77 HG LEU 13 HG LEU 13 6.094 -11.260 6.423 78 1HD1 LEU 13 1HD1 LEU 13 8.463 -12.504 5.589 79 2HD1 LEU 13 2HD1 LEU 13 8.538 -12.478 7.366 80 3HD1 LEU 13 3HD1 LEU 13 7.140 -13.212 6.545 81 1HD2 LEU 13 1HD2 LEU 13 7.870 -10.963 8.545 82 2HD2 LEU 13 2HD2 LEU 13 7.986 -9.428 7.651 83 3HD2 LEU 13 3HD2 LEU 13 6.405 -10.003 8.231 84 H SER 14 H SER 14 5.932 -10.646 1.656 85 HA SER 14 HA SER 14 6.996 -13.312 1.613 86 1HB SER 14 1HB SER 14 4.415 -13.125 2.394 87 2HB SER 14 2HB SER 14 4.168 -13.126 0.640 88 HG SER 14 HG SER 14 5.797 -15.084 2.005 89 H ASP 15 H ASP 15 7.826 -13.749 -0.426 90 HA ASP 15 HA ASP 15 8.340 -11.959 -2.237 91 1HB ASP 15 1HB ASP 15 7.919 -14.867 -2.294 92 2HB ASP 15 2HB ASP 15 7.664 -14.137 -3.883 93 HD2 ASP 15 HD2 ASP 15 11.332 -14.264 -2.376 94 H GLY 16 H GLY 16 6.680 -10.364 -2.622 95 1HA GLY 16 1HA GLY 16 4.693 -9.524 -3.330 96 2HA GLY 16 2HA GLY 16 5.076 -10.466 -4.759 97 H THR 17 H THR 17 3.682 -10.917 -1.428 98 HA THR 17 HA THR 17 2.225 -13.238 -2.206 99 HB THR 17 HB THR 17 2.915 -11.748 0.188 100 HG1 THR 17 1HG THR 17 2.326 -13.916 0.989 101 1HG2 THR 17 1HG2 THR 17 0.848 -11.987 1.458 102 2HG2 THR 17 2HG2 THR 17 0.456 -11.007 0.024 103 3HG2 THR 17 3HG2 THR 17 0.022 -12.734 0.072 104 H VAL 18 H VAL 18 0.370 -13.415 -3.287 105 HA VAL 18 HA VAL 18 -1.097 -10.956 -3.798 106 HB VAL 18 HB VAL 18 -1.875 -13.566 -4.988 107 1HG1 VAL 18 1HG1 VAL 18 -3.101 -11.983 -6.040 108 2HG1 VAL 18 2HG1 VAL 18 -1.948 -10.682 -5.658 109 3HG1 VAL 18 3HG1 VAL 18 -1.631 -11.778 -7.024 110 1HG2 VAL 18 1HG2 VAL 18 0.020 -13.010 -6.755 111 2HG2 VAL 18 2HG2 VAL 18 0.822 -12.303 -5.330 112 3HG2 VAL 18 3HG2 VAL 18 0.353 -14.021 -5.329 113 H VAL 19 H VAL 19 -2.751 -10.402 -2.487 114 HA VAL 19 HA VAL 19 -4.500 -12.534 -1.554 115 HB VAL 19 HB VAL 19 -4.455 -11.155 0.695 116 1HG1 VAL 19 1HG1 VAL 19 -3.386 -13.605 -0.204 117 2HG1 VAL 19 2HG1 VAL 19 -2.120 -12.854 0.798 118 3HG1 VAL 19 3HG1 VAL 19 -3.745 -13.122 1.471 119 1HG2 VAL 19 1HG2 VAL 19 -2.069 -10.546 1.250 120 2HG2 VAL 19 2HG2 VAL 19 -1.707 -10.663 -0.488 121 3HG2 VAL 19 3HG2 VAL 19 -2.880 -9.458 0.098 122 H LYS 20 H LYS 20 -6.252 -11.047 -0.025 123 HA LYS 20 HA LYS 20 -7.090 -8.973 -1.930 124 1HB LYS 20 1HB LYS 20 -9.392 -9.542 -1.343 125 2HB LYS 20 2HB LYS 20 -8.536 -10.929 -2.042 126 1HG LYS 20 1HG LYS 20 -8.267 -11.950 0.112 127 2HG LYS 20 2HG LYS 20 -8.772 -10.478 0.962 128 1HD LYS 20 1HD LYS 20 -10.858 -11.192 -0.866 129 2HD LYS 20 2HD LYS 20 -10.396 -12.668 0.003 130 1HE LYS 20 1HE LYS 20 -10.569 -11.279 2.154 131 2HE LYS 20 2HE LYS 20 -11.327 -10.011 1.178 132 1HZ LYS 20 1HZ LYS 20 -12.376 -12.695 0.939 133 2HZ LYS 20 2HZ LYS 20 -12.694 -11.899 2.331 134 3HZ LYS 20 3HZ LYS 20 -13.162 -11.262 0.902 135 H VAL 21 H VAL 21 -7.473 -6.939 -1.146 136 HA VAL 21 HA VAL 21 -7.117 -6.637 1.751 137 HB VAL 21 HB VAL 21 -6.687 -4.671 -0.508 138 1HG1 VAL 21 1HG1 VAL 21 -6.165 -4.449 2.475 139 2HG1 VAL 21 2HG1 VAL 21 -5.570 -3.298 1.254 140 3HG1 VAL 21 3HG1 VAL 21 -7.320 -3.500 1.511 141 1HG2 VAL 21 1HG2 VAL 21 -5.089 -6.796 0.061 142 2HG2 VAL 21 2HG2 VAL 21 -4.505 -5.253 -0.603 143 3HG2 VAL 21 3HG2 VAL 21 -4.401 -5.567 1.145 144 H ALA 22 H ALA 22 -9.097 -6.632 2.717 145 HA ALA 22 HA ALA 22 -11.333 -5.446 1.307 146 1HB ALA 22 1HB ALA 22 -12.618 -6.337 3.234 147 2HB ALA 22 2HB ALA 22 -11.605 -7.589 2.480 148 3HB ALA 22 3HB ALA 22 -11.095 -6.836 4.009 149 H GLY 23 H GLY 23 -12.165 -3.432 1.697 150 1HA GLY 23 1HA GLY 23 -10.959 -1.926 3.941 151 2HA GLY 23 2HA GLY 23 -11.340 -1.234 2.376 152 H ALA 24 H ALA 24 -12.838 -2.911 5.213 153 HA ALA 24 HA ALA 24 -15.465 -2.036 4.459 154 1HB ALA 24 1HB ALA 24 -14.794 -4.197 5.691 155 2HB ALA 24 2HB ALA 24 -14.586 -3.174 7.132 156 3HB ALA 24 3HB ALA 24 -16.179 -3.293 6.344 157 H GLY 25 H GLY 25 -16.501 -0.184 5.078 158 1HA GLY 25 1HA GLY 25 -16.799 1.855 5.969 159 2HA GLY 25 2HA GLY 25 -16.132 1.195 7.449 160 H LEU 26 H LEU 26 -14.391 1.428 4.308 161 HA LEU 26 HA LEU 26 -12.524 3.259 5.638 162 1HB LEU 26 1HB LEU 26 -11.692 1.033 4.974 163 2HB LEU 26 2HB LEU 26 -12.044 1.430 3.282 164 HG LEU 26 HG LEU 26 -9.644 1.653 3.983 165 1HD1 LEU 26 1HD1 LEU 26 -10.844 4.271 3.054 166 2HD1 LEU 26 2HD1 LEU 26 -9.231 3.609 2.691 167 3HD1 LEU 26 3HD1 LEU 26 -10.685 2.829 2.020 168 1HD2 LEU 26 1HD2 LEU 26 -10.046 4.281 5.229 169 2HD2 LEU 26 2HD2 LEU 26 -10.642 2.919 6.206 170 3HD2 LEU 26 3HD2 LEU 26 -8.946 2.951 5.666 171 H GLN 27 H GLN 27 -12.581 2.706 2.143 172 HA GLN 27 HA GLN 27 -12.479 5.316 1.487 173 1HB GLN 27 1HB GLN 27 -12.762 2.837 0.144 174 2HB GLN 27 2HB GLN 27 -14.015 3.897 -0.531 175 1HG GLN 27 1HG GLN 27 -11.760 3.987 -1.699 176 2HG GLN 27 2HG GLN 27 -12.372 5.557 -1.159 177 1HE2 GLN 27 1HE2 GLN 27 -10.174 2.901 -0.468 178 2HE2 GLN 27 2HE2 GLN 27 -9.055 3.771 0.530 179 H ALA 28 H ALA 28 -15.231 3.513 2.668 180 HA ALA 28 HA ALA 28 -17.254 4.205 3.275 181 1HB ALA 28 1HB ALA 28 -17.513 6.395 3.804 182 2HB ALA 28 2HB ALA 28 -15.821 6.560 3.278 183 3HB ALA 28 3HB ALA 28 -17.143 6.936 2.149 184 H GLY 29 H GLY 29 -15.996 3.962 0.194 185 1HA GLY 29 1HA GLY 29 -17.562 2.891 -1.366 186 2HA GLY 29 2HA GLY 29 -18.682 4.199 -1.032 187 H THR 30 H THR 30 -15.697 5.665 -0.856 188 HA THR 30 HA THR 30 -16.032 6.978 -3.344 189 HB THR 30 HB THR 30 -13.490 7.033 -1.689 190 HG1 THR 30 1HG THR 30 -16.154 8.123 -1.106 191 1HG2 THR 30 1HG2 THR 30 -13.325 8.867 -3.091 192 2HG2 THR 30 2HG2 THR 30 -15.068 8.868 -3.445 193 3HG2 THR 30 3HG2 THR 30 -14.466 9.602 -1.940 194 H ALA 31 H ALA 31 -13.180 7.174 -4.052 195 HA ALA 31 HA ALA 31 -12.662 4.471 -5.029 196 1HB ALA 31 1HB ALA 31 -12.548 5.141 -7.296 197 2HB ALA 31 2HB ALA 31 -14.033 5.910 -6.687 198 3HB ALA 31 3HB ALA 31 -12.547 6.872 -6.875 199 H TYR 32 H TYR 32 -10.643 3.991 -4.336 200 HA TYR 32 HA TYR 32 -8.645 6.138 -4.489 201 1HB TYR 32 1HB TYR 32 -9.438 4.152 -2.305 202 2HB TYR 32 2HB TYR 32 -7.782 4.767 -2.351 203 HD1 TYR 32 1HD TYR 32 -7.371 6.477 -0.850 204 HD2 TYR 32 2HD TYR 32 -11.243 6.213 -2.648 205 HE1 TYR 32 1HE TYR 32 -8.121 8.528 0.450 206 HE2 TYR 32 2HE TYR 32 -11.983 8.265 -1.342 207 HH TYR 32 HH TYR 32 -10.551 10.355 -0.314 208 H ASP 33 H ASP 33 -6.444 5.406 -4.831 209 HA ASP 33 HA ASP 33 -6.444 2.887 -6.243 210 1HB ASP 33 1HB ASP 33 -5.435 4.511 -7.579 211 2HB ASP 33 2HB ASP 33 -4.714 5.357 -6.200 212 HD2 ASP 33 HD2 ASP 33 -1.767 3.649 -6.537 213 H VAL 34 H VAL 34 -5.371 1.074 -5.389 214 HA VAL 34 HA VAL 34 -4.291 1.289 -2.750 215 HB VAL 34 HB VAL 34 -5.685 -0.593 -3.850 216 1HG1 VAL 34 1HG1 VAL 34 -4.086 -0.855 -5.782 217 2HG1 VAL 34 2HG1 VAL 34 -2.923 -1.569 -4.638 218 3HG1 VAL 34 3HG1 VAL 34 -4.488 -2.365 -4.929 219 1HG2 VAL 34 1HG2 VAL 34 -4.950 -2.117 -2.220 220 2HG2 VAL 34 2HG2 VAL 34 -3.266 -1.547 -2.311 221 3HG2 VAL 34 3HG2 VAL 34 -4.512 -0.524 -1.555 222 H GLY 35 H GLY 35 -2.132 1.070 -2.089 223 1HA GLY 35 1HA GLY 35 -0.007 0.342 -3.762 224 2HA GLY 35 2HA GLY 35 -0.171 2.084 -3.829 225 H GLN 36 H GLN 36 1.139 -0.553 -2.085 226 HA GLN 36 HA GLN 36 1.030 0.401 0.505 227 1HB GLN 36 1HB GLN 36 2.862 -1.147 0.954 228 2HB GLN 36 2HB GLN 36 1.705 -1.909 -0.152 229 1HG GLN 36 1HG GLN 36 3.583 -0.513 -1.774 230 2HG GLN 36 2HG GLN 36 4.534 -1.355 -0.541 231 1HE2 GLN 36 1HE2 GLN 36 5.033 -2.213 -2.909 232 2HE2 GLN 36 2HE2 GLN 36 4.257 -3.709 -3.310 233 H CYS 37 H CYS 37 1.610 2.490 1.011 234 HA CYS 37 HA CYS 37 4.100 3.473 -0.154 235 1HB CYS 37 1HB CYS 37 1.696 4.663 -0.153 236 2HB CYS 37 2HB CYS 37 2.324 5.297 1.369 237 H ALA 38 H ALA 38 5.656 4.536 1.319 238 HA ALA 38 HA ALA 38 5.364 4.712 4.054 239 1HB ALA 38 1HB ALA 38 5.115 2.344 4.237 240 2HB ALA 38 2HB ALA 38 6.439 2.043 3.087 241 3HB ALA 38 3HB ALA 38 6.796 2.691 4.706 242 H TRP 39 H TRP 39 7.443 5.273 5.108 243 HA TRP 39 HA TRP 39 9.053 6.793 3.406 244 1HB TRP 39 1HB TRP 39 10.479 7.085 5.385 245 2HB TRP 39 2HB TRP 39 8.771 7.406 5.695 246 HD1 TRP 39 HD TRP 39 7.449 5.338 7.099 247 HE1 TRP 39 1HE TRP 39 8.276 3.703 8.997 248 HE3 TRP 39 3HE TRP 39 12.414 5.916 6.159 249 HZ2 TRP 39 2HZ TRP 39 10.857 2.852 9.872 250 HZ3 TRP 39 3HZ TRP 39 14.019 4.647 7.581 251 HH2 TRP 39 HH TRP 39 13.312 3.156 9.385 252 H VAL 40 H VAL 40 9.720 5.345 1.685 253 HA VAL 40 HA VAL 40 11.210 2.995 2.354 254 HB VAL 40 HB VAL 40 9.718 3.776 0.240 255 1HG1 VAL 40 1HG1 VAL 40 11.289 3.993 -1.709 256 2HG1 VAL 40 2HG1 VAL 40 11.259 5.403 -0.623 257 3HG1 VAL 40 3HG1 VAL 40 12.612 4.247 -0.544 258 1HG2 VAL 40 1HG2 VAL 40 11.553 1.598 0.867 259 2HG2 VAL 40 2HG2 VAL 40 9.959 1.557 0.076 260 3HG2 VAL 40 3HG2 VAL 40 11.422 1.878 -0.885 261 H ASP 41 H ASP 41 11.928 6.290 1.033 262 HA ASP 41 HA ASP 41 14.688 5.767 0.913 263 1HB ASP 41 1HB ASP 41 13.061 7.639 -0.171 264 2HB ASP 41 2HB ASP 41 13.674 8.580 1.197 265 HD2 ASP 41 HD2 ASP 41 16.906 7.633 -0.619 266 H THR 42 H THR 42 15.424 8.478 2.116 267 HA THR 42 HA THR 42 15.669 7.563 4.856 268 HB THR 42 HB THR 42 17.556 8.535 3.383 269 HG1 THR 42 1HG THR 42 18.298 8.973 5.424 270 1HG2 THR 42 1HG2 THR 42 16.807 11.264 4.277 271 2HG2 THR 42 2HG2 THR 42 17.524 10.741 2.733 272 3HG2 THR 42 3HG2 THR 42 15.763 10.643 2.975 273 H GLY 43 H GLY 43 13.113 7.763 4.811 274 1HA GLY 43 1HA GLY 43 11.652 8.800 6.310 275 2HA GLY 43 2HA GLY 43 12.565 10.291 6.193 276 H VAL 44 H VAL 44 12.184 8.817 3.103 277 HA VAL 44 HA VAL 44 10.127 10.787 2.459 278 HB VAL 44 HB VAL 44 11.723 9.144 0.509 279 1HG1 VAL 44 1HG1 VAL 44 10.297 11.814 0.416 280 2HG1 VAL 44 2HG1 VAL 44 11.442 11.287 -0.839 281 3HG1 VAL 44 3HG1 VAL 44 9.963 10.346 -0.533 282 1HG2 VAL 44 1HG2 VAL 44 13.501 10.743 0.509 283 2HG2 VAL 44 2HG2 VAL 44 12.632 11.808 1.642 284 3HG2 VAL 44 3HG2 VAL 44 13.255 10.234 2.197 285 H LEU 45 H LEU 45 8.056 10.097 2.468 286 HA LEU 45 HA LEU 45 7.426 7.347 2.536 287 1HB LEU 45 1HB LEU 45 6.009 8.765 3.687 288 2HB LEU 45 2HB LEU 45 5.856 9.899 2.333 289 HG LEU 45 HG LEU 45 4.818 7.481 1.377 290 1HD1 LEU 45 1HD1 LEU 45 4.826 6.667 3.733 291 2HD1 LEU 45 2HD1 LEU 45 3.707 7.986 4.149 292 3HD1 LEU 45 3HD1 LEU 45 3.210 6.727 2.991 293 1HD2 LEU 45 1HD2 LEU 45 3.615 10.071 2.328 294 2HD2 LEU 45 2HD2 LEU 45 3.845 9.472 0.667 295 3HD2 LEU 45 3HD2 LEU 45 2.594 8.750 1.708 296 H ALA 46 H ALA 46 8.351 6.328 0.710 297 HA ALA 46 HA ALA 46 7.426 7.278 -1.888 298 1HB ALA 46 1HB ALA 46 9.154 5.833 -2.785 299 2HB ALA 46 2HB ALA 46 9.854 6.787 -1.455 300 3HB ALA 46 3HB ALA 46 9.414 5.082 -1.190 301 H CYS 47 H CYS 47 6.088 6.055 -3.240 302 HA CYS 47 HA CYS 47 4.708 3.899 -1.854 303 1HB CYS 47 1HB CYS 47 3.930 5.297 -4.414 304 2HB CYS 47 2HB CYS 47 2.937 4.196 -3.455 305 H ASN 48 H ASN 48 4.301 1.852 -3.035 306 HA ASN 48 HA ASN 48 6.564 1.233 -4.706 307 1HB ASN 48 1HB ASN 48 4.401 -0.470 -3.385 308 2HB ASN 48 2HB ASN 48 5.654 -1.160 -4.428 309 1HD2 ASN 48 1HD2 ASN 48 5.431 1.244 -1.801 310 2HD2 ASN 48 2HD2 ASN 48 6.738 0.639 -0.840 311 HA PRO 49 HA PRO 49 3.807 1.456 -8.161 312 1HB PRO 49 1HB PRO 49 5.634 0.920 -10.121 313 2HB PRO 49 2HB PRO 49 5.373 2.534 -9.462 314 1HG PRO 49 1HG PRO 49 7.553 0.612 -8.960 315 2HG PRO 49 2HG PRO 49 7.538 2.391 -8.682 316 1HD PRO 49 1HD PRO 49 7.324 0.284 -6.755 317 2HD PRO 49 2HD PRO 49 7.143 2.016 -6.448 318 H ALA 50 H ALA 50 4.870 -1.151 -6.665 319 HA ALA 50 HA ALA 50 3.919 -2.954 -8.774 320 1HB ALA 50 1HB ALA 50 6.091 -3.597 -8.072 321 2HB ALA 50 2HB ALA 50 5.719 -3.294 -6.357 322 3HB ALA 50 3HB ALA 50 4.992 -4.689 -7.194 323 H ASP 51 H ASP 51 2.668 -1.126 -6.363 324 HA ASP 51 HA ASP 51 0.806 -3.247 -5.637 325 1HB ASP 51 1HB ASP 51 2.319 -2.430 -3.757 326 2HB ASP 51 2HB ASP 51 1.548 -0.842 -3.909 327 HD2 ASP 51 HD2 ASP 51 -0.381 -3.779 -2.078 328 H PHE 52 H PHE 52 1.088 -0.893 -7.735 329 HA PHE 52 HA PHE 52 -1.021 0.892 -6.947 330 1HB PHE 52 1HB PHE 52 0.964 0.451 -9.170 331 2HB PHE 52 2HB PHE 52 -0.510 1.306 -9.638 332 HD1 PHE 52 1HD PHE 52 0.033 3.536 -9.900 333 HD2 PHE 52 2HD PHE 52 1.567 1.448 -6.538 334 HE1 PHE 52 1HE PHE 52 1.014 5.673 -9.020 335 HE2 PHE 52 2HE PHE 52 2.549 3.586 -5.658 336 HZ PHE 52 HZ PHE 52 2.259 5.671 -6.911 337 H SER 53 H SER 53 -3.124 0.252 -7.034 338 HA SER 53 HA SER 53 -4.035 -0.889 -9.495 339 1HB SER 53 1HB SER 53 -3.322 -2.812 -7.933 340 2HB SER 53 2HB SER 53 -4.706 -2.361 -6.919 341 HG SER 53 HG SER 53 -5.959 -3.433 -8.270 342 H SER 54 H SER 54 -5.445 0.833 -9.856 343 HA SER 54 HA SER 54 -6.770 2.190 -7.868 344 1HB SER 54 1HB SER 54 -8.083 3.180 -9.646 345 2HB SER 54 2HB SER 54 -6.425 2.962 -10.237 346 HG SER 54 HG SER 54 -8.520 2.220 -11.527 347 H VAL 55 H VAL 55 -8.704 1.860 -6.763 348 HA VAL 55 HA VAL 55 -10.602 -0.058 -7.779 349 HB VAL 55 HB VAL 55 -8.995 -0.513 -5.268 350 1HG1 VAL 55 1HG1 VAL 55 -11.298 -0.784 -4.614 351 2HG1 VAL 55 2HG1 VAL 55 -11.647 -1.753 -6.065 352 3HG1 VAL 55 3HG1 VAL 55 -10.572 -2.399 -4.803 353 1HG2 VAL 55 1HG2 VAL 55 -9.440 -2.023 -7.841 354 2HG2 VAL 55 2HG2 VAL 55 -7.912 -1.588 -7.037 355 3HG2 VAL 55 3HG2 VAL 55 -8.940 -2.872 -6.357 356 H THR 56 H THR 56 -12.593 -0.094 -6.300 357 HA THR 56 HA THR 56 -12.806 2.425 -4.802 358 HB THR 56 HB THR 56 -14.140 1.610 -7.310 359 HG1 THR 56 1HG THR 56 -14.490 3.968 -7.154 360 1HG2 THR 56 1HG2 THR 56 -16.346 2.586 -6.659 361 2HG2 THR 56 2HG2 THR 56 -16.033 1.085 -5.756 362 3HG2 THR 56 3HG2 THR 56 -15.810 2.663 -4.965 363 H ALA 57 H ALA 57 -14.728 2.461 -3.326 364 HA ALA 57 HA ALA 57 -15.072 -0.244 -2.238 365 1HB ALA 57 1HB ALA 57 -15.528 2.363 -0.767 366 2HB ALA 57 2HB ALA 57 -15.200 0.748 -0.096 367 3HB ALA 57 3HB ALA 57 -13.904 1.652 -0.914 368 H ASP 58 H ASP 58 -17.208 -0.817 -1.392 369 HA ASP 58 HA ASP 58 -19.218 0.091 -3.156 370 1HB ASP 58 1HB ASP 58 -19.930 -1.461 -0.697 371 2HB ASP 58 2HB ASP 58 -20.446 -1.720 -2.371 372 HD2 ASP 58 HD2 ASP 58 -18.181 -4.382 -1.333 373 H ALA 59 H ALA 59 -21.401 0.923 -2.315 374 HA ALA 59 HA ALA 59 -21.243 3.236 -0.957 375 1HB ALA 59 1HB ALA 59 -23.569 3.195 -0.943 376 2HB ALA 59 2HB ALA 59 -23.212 1.963 -2.178 377 3HB ALA 59 3HB ALA 59 -23.643 1.466 -0.525 378 H ASN 60 H ASN 60 -21.107 -0.036 0.369 379 HA ASN 60 HA ASN 60 -21.583 0.914 3.029 380 1HB ASN 60 1HB ASN 60 -21.824 -1.556 1.720 381 2HB ASN 60 2HB ASN 60 -20.413 -1.789 2.763 382 1HD2 ASN 60 1HD2 ASN 60 -23.240 -2.801 2.776 383 2HD2 ASN 60 2HD2 ASN 60 -23.849 -2.487 4.367 384 H GLY 61 H GLY 61 -19.303 2.062 1.516 385 1HA GLY 61 1HA GLY 61 -17.066 2.376 1.610 386 2HA GLY 61 2HA GLY 61 -17.320 2.229 3.336 387 H SER 62 H SER 62 -17.629 -0.275 0.733 388 HA SER 62 HA SER 62 -15.635 -1.796 2.219 389 1HB SER 62 1HB SER 62 -17.285 -3.226 0.217 390 2HB SER 62 2HB SER 62 -16.867 -3.692 1.876 391 HG SER 62 HG SER 62 -18.853 -1.716 1.124 392 H ALA 63 H ALA 63 -13.668 -1.366 1.225 393 HA ALA 63 HA ALA 63 -13.636 -1.414 -1.708 394 1HB ALA 63 1HB ALA 63 -12.661 0.463 0.061 395 2HB ALA 63 2HB ALA 63 -11.219 -0.532 -0.254 396 3HB ALA 63 3HB ALA 63 -12.084 0.235 -1.608 397 H SER 64 H SER 64 -13.555 -3.641 -2.120 398 HA SER 64 HA SER 64 -11.524 -5.129 -0.703 399 1HB SER 64 1HB SER 64 -12.544 -7.106 -1.802 400 2HB SER 64 2HB SER 64 -13.743 -6.160 -0.902 401 HG SER 64 HG SER 64 -13.349 -5.553 -3.658 402 H THR 65 H THR 65 -9.594 -4.259 -1.662 403 HA THR 65 HA THR 65 -9.345 -4.716 -4.558 404 HB THR 65 HB THR 65 -9.031 -2.366 -3.568 405 HG1 THR 65 1HG THR 65 -7.334 -2.158 -5.074 406 1HG2 THR 65 1HG2 THR 65 -6.431 -3.626 -2.553 407 2HG2 THR 65 2HG2 THR 65 -6.889 -1.908 -2.458 408 3HG2 THR 65 3HG2 THR 65 -7.766 -3.118 -1.489 409 H SER 66 H SER 66 -8.289 -6.467 -5.217 410 HA SER 66 HA SER 66 -6.523 -7.703 -3.268 411 1HB SER 66 1HB SER 66 -6.691 -9.662 -4.972 412 2HB SER 66 2HB SER 66 -8.102 -9.307 -3.959 413 HG SER 66 HG SER 66 -7.804 -8.109 -6.557 414 H LEU 67 H LEU 67 -4.318 -8.027 -3.718 415 HA LEU 67 HA LEU 67 -3.271 -7.850 -6.329 416 1HB LEU 67 1HB LEU 67 -3.913 -5.420 -5.569 417 2HB LEU 67 2HB LEU 67 -2.376 -5.526 -4.690 418 HG LEU 67 HG LEU 67 -2.628 -4.583 -7.198 419 1HD1 LEU 67 1HD1 LEU 67 -0.531 -5.336 -5.466 420 2HD1 LEU 67 2HD1 LEU 67 -0.099 -5.943 -7.083 421 3HD1 LEU 67 3HD1 LEU 67 -0.471 -4.217 -6.849 422 1HD2 LEU 67 1HD2 LEU 67 -3.436 -6.808 -8.013 423 2HD2 LEU 67 2HD2 LEU 67 -1.998 -6.184 -8.859 424 3HD2 LEU 67 3HD2 LEU 67 -1.825 -7.467 -7.640 425 H THR 68 H THR 68 -0.663 -7.456 -5.994 426 HA THR 68 HA THR 68 0.005 -9.330 -3.833 427 HB THR 68 HB THR 68 0.471 -9.941 -6.258 428 HG1 THR 68 1HG THR 68 2.439 -10.783 -5.506 429 1HG2 THR 68 1HG2 THR 68 2.357 -7.550 -5.975 430 2HG2 THR 68 2HG2 THR 68 2.589 -8.833 -7.186 431 3HG2 THR 68 3HG2 THR 68 1.136 -7.806 -7.242 432 H VAL 69 H VAL 69 1.520 -8.880 -2.275 433 HA VAL 69 HA VAL 69 2.117 -6.059 -1.997 434 HB VAL 69 HB VAL 69 1.202 -7.152 -0.094 435 1HG1 VAL 69 1HG1 VAL 69 2.530 -9.056 1.007 436 2HG1 VAL 69 2HG1 VAL 69 1.579 -9.450 -0.443 437 3HG1 VAL 69 3HG1 VAL 69 3.340 -9.235 -0.567 438 1HG2 VAL 69 1HG2 VAL 69 2.741 -6.526 1.565 439 2HG2 VAL 69 2HG2 VAL 69 4.143 -6.990 0.571 440 3HG2 VAL 69 3HG2 VAL 69 3.199 -5.539 0.157 441 H ARG 70 H ARG 70 3.681 -5.702 -3.642 442 HA ARG 70 HA ARG 70 6.007 -7.376 -3.582 443 1HB ARG 70 1HB ARG 70 5.340 -4.916 -5.265 444 2HB ARG 70 2HB ARG 70 6.735 -5.976 -5.532 445 1HG ARG 70 1HG ARG 70 4.412 -7.635 -5.387 446 2HG ARG 70 2HG ARG 70 4.008 -6.284 -6.459 447 1HD ARG 70 1HD ARG 70 5.387 -7.049 -8.094 448 2HD ARG 70 2HD ARG 70 6.708 -7.369 -6.959 449 HE ARG 70 HE ARG 70 4.458 -9.270 -6.840 450 1HH1 ARG 70 1HH1 ARG 70 7.611 -8.548 -8.224 451 2HH1 ARG 70 2HH1 ARG 70 7.955 -10.196 -8.629 452 1HH2 ARG 70 1HH2 ARG 70 4.911 -11.447 -7.374 453 2HH2 ARG 70 2HH2 ARG 70 6.407 -11.856 -8.141 454 H ARG 71 H ARG 71 7.327 -6.939 -1.806 455 HA ARG 71 HA ARG 71 7.578 -4.264 -0.887 456 1HB ARG 71 1HB ARG 71 7.680 -6.562 0.432 457 2HB ARG 71 2HB ARG 71 9.398 -6.520 0.004 458 1HG ARG 71 1HG ARG 71 9.788 -4.581 1.266 459 2HG ARG 71 2HG ARG 71 8.087 -4.081 1.234 460 1HD ARG 71 1HD ARG 71 9.486 -6.059 3.005 461 2HD ARG 71 2HD ARG 71 8.221 -4.891 3.413 462 HE ARG 71 HE ARG 71 7.850 -7.624 2.378 463 1HH1 ARG 71 1HH1 ARG 71 6.366 -4.484 2.947 464 2HH1 ARG 71 2HH1 ARG 71 4.747 -5.102 2.915 465 1HH2 ARG 71 1HH2 ARG 71 5.717 -8.438 2.337 466 2HH2 ARG 71 2HH2 ARG 71 4.376 -7.365 2.565 467 H SER 72 H SER 72 9.233 -6.424 -3.105 468 HA SER 72 HA SER 72 11.634 -4.818 -3.004 469 1HB SER 72 1HB SER 72 12.632 -6.523 -4.405 470 2HB SER 72 2HB SER 72 11.767 -7.330 -3.085 471 HG SER 72 HG SER 72 10.908 -8.447 -4.714 472 H PHE 73 H PHE 73 11.477 -2.920 -4.160 473 HA PHE 73 HA PHE 73 11.313 -2.902 -6.900 474 1HB PHE 73 1HB PHE 73 8.790 -3.303 -5.658 475 2HB PHE 73 2HB PHE 73 8.802 -1.577 -6.030 476 HD1 PHE 73 1HD PHE 73 7.350 -1.340 -7.829 477 HD2 PHE 73 2HD PHE 73 10.249 -4.439 -7.928 478 HE1 PHE 73 1HE PHE 73 6.709 -1.865 -10.197 479 HE2 PHE 73 2HE PHE 73 9.607 -4.964 -10.297 480 HZ PHE 73 HZ PHE 73 7.846 -3.670 -11.405 481 H GLU 74 H GLU 74 10.871 -0.549 -7.752 482 HA GLU 74 HA GLU 74 12.376 1.145 -6.033 483 1HB GLU 74 1HB GLU 74 12.818 1.135 -8.427 484 2HB GLU 74 2HB GLU 74 11.145 1.598 -8.787 485 1HG GLU 74 1HG GLU 74 11.533 3.792 -8.313 486 2HG GLU 74 2HG GLU 74 12.528 3.421 -6.897 487 HE2 GLU 74 HE2 GLU 74 14.409 4.641 -9.957 488 H GLY 75 H GLY 75 11.618 2.748 -4.689 489 1HA GLY 75 1HA GLY 75 8.761 2.986 -4.349 490 2HA GLY 75 2HA GLY 75 10.025 3.736 -3.393 491 H PHE 76 H PHE 76 7.670 5.124 -4.258 492 HA PHE 76 HA PHE 76 8.840 6.965 -6.226 493 1HB PHE 76 1HB PHE 76 6.273 5.565 -5.944 494 2HB PHE 76 2HB PHE 76 5.995 7.310 -5.928 495 HD1 PHE 76 1HD PHE 76 4.875 7.468 -8.017 496 HD2 PHE 76 2HD PHE 76 8.692 5.625 -7.807 497 HE1 PHE 76 1HE PHE 76 5.028 7.496 -10.521 498 HE2 PHE 76 2HE PHE 76 8.845 5.654 -10.311 499 HZ PHE 76 HZ PHE 76 7.010 6.590 -11.639 500 H LEU 77 H LEU 77 9.725 8.610 -5.020 501 HA LEU 77 HA LEU 77 8.377 9.472 -2.619 502 1HB LEU 77 1HB LEU 77 10.884 10.442 -3.981 503 2HB LEU 77 2HB LEU 77 10.302 10.974 -2.393 504 HG LEU 77 HG LEU 77 10.665 8.768 -1.476 505 1HD1 LEU 77 1HD1 LEU 77 11.745 6.981 -2.856 506 2HD1 LEU 77 2HD1 LEU 77 10.061 7.349 -3.301 507 3HD1 LEU 77 3HD1 LEU 77 11.400 7.964 -4.301 508 1HD2 LEU 77 1HD2 LEU 77 12.654 9.731 -1.091 509 2HD2 LEU 77 2HD2 LEU 77 13.249 8.608 -2.339 510 3HD2 LEU 77 3HD2 LEU 77 12.831 10.284 -2.775 511 H PHE 78 H PHE 78 8.370 12.074 -2.401 512 HA PHE 78 HA PHE 78 6.578 12.902 -4.520 513 1HB PHE 78 1HB PHE 78 5.862 13.268 -2.224 514 2HB PHE 78 2HB PHE 78 7.448 13.888 -1.752 515 HD1 PHE 78 1HD PHE 78 7.733 16.177 -1.588 516 HD2 PHE 78 2HD PHE 78 4.595 14.682 -4.025 517 HE1 PHE 78 1HE PHE 78 6.916 18.519 -1.973 518 HE2 PHE 78 2HE PHE 78 3.780 17.024 -4.409 519 HZ PHE 78 HZ PHE 78 4.949 18.915 -3.380 520 H ASP 79 H ASP 79 9.802 13.639 -3.166 521 HA ASP 79 HA ASP 79 9.994 15.921 -4.926 522 1HB ASP 79 1HB ASP 79 10.791 16.060 -2.559 523 2HB ASP 79 2HB ASP 79 11.981 14.793 -2.897 524 HD2 ASP 79 HD2 ASP 79 14.156 17.359 -3.538 525 H GLY 80 H GLY 80 10.932 12.545 -4.539 526 1HA GLY 80 1HA GLY 80 12.437 12.674 -7.060 527 2HA GLY 80 2HA GLY 80 13.199 11.961 -5.651 528 H THR 81 H THR 81 9.899 11.840 -7.197 529 HA THR 81 HA THR 81 8.869 9.581 -6.428 530 HB THR 81 HB THR 81 7.752 10.649 -8.209 531 HG1 THR 81 1HG THR 81 7.450 8.708 -9.224 532 1HG2 THR 81 1HG2 THR 81 10.502 10.868 -9.343 533 2HG2 THR 81 2HG2 THR 81 9.241 10.494 -10.543 534 3HG2 THR 81 3HG2 THR 81 9.108 11.959 -9.542 535 H ARG 82 H ARG 82 10.482 8.896 -9.509 536 HA ARG 82 HA ARG 82 11.018 6.325 -8.842 537 1HB ARG 82 1HB ARG 82 12.809 6.519 -10.719 538 2HB ARG 82 2HB ARG 82 11.138 6.918 -11.153 539 1HG ARG 82 1HG ARG 82 11.582 9.209 -11.259 540 2HG ARG 82 2HG ARG 82 12.966 9.108 -10.155 541 1HD ARG 82 1HD ARG 82 13.249 7.579 -12.691 542 2HD ARG 82 2HD ARG 82 13.168 9.334 -12.892 543 HE ARG 82 HE ARG 82 14.978 8.716 -10.761 544 1HH1 ARG 82 1HH1 ARG 82 14.743 8.462 -14.262 545 2HH1 ARG 82 2HH1 ARG 82 16.455 8.536 -14.510 546 1HH2 ARG 82 1HH2 ARG 82 17.238 8.812 -11.088 547 2HH2 ARG 82 2HH2 ARG 82 17.884 8.736 -12.693 548 H TRP 83 H TRP 83 11.949 6.257 -6.681 549 HA TRP 83 HA TRP 83 14.612 7.419 -6.410 550 1HB TRP 83 1HB TRP 83 13.290 7.984 -4.594 551 2HB TRP 83 2HB TRP 83 12.556 6.383 -4.483 552 HD1 TRP 83 HD TRP 83 13.378 5.367 -2.222 553 HE1 TRP 83 1HE TRP 83 15.629 5.104 -0.873 554 HE3 TRP 83 3HE TRP 83 16.236 8.076 -5.440 555 HZ2 TRP 83 2HZ TRP 83 18.294 6.036 -1.293 556 HZ3 TRP 83 3HZ TRP 83 18.652 8.350 -4.897 557 HH2 TRP 83 HH TRP 83 19.689 7.382 -2.905 558 H GLY 84 H GLY 84 13.342 4.431 -4.875 559 1HA GLY 84 1HA GLY 84 14.282 2.439 -6.449 560 2HA GLY 84 2HA GLY 84 15.730 2.999 -5.635 561 H THR 85 H THR 85 16.210 2.071 -3.690 562 HA THR 85 HA THR 85 15.881 1.231 -1.630 563 HB THR 85 HB THR 85 12.866 1.247 -2.117 564 HG1 THR 85 1HG THR 85 13.374 3.397 -2.481 565 1HG2 THR 85 1HG2 THR 85 14.722 1.095 0.225 566 2HG2 THR 85 2HG2 THR 85 13.370 2.239 0.403 567 3HG2 THR 85 3HG2 THR 85 13.046 0.518 0.075 568 H VAL 86 H VAL 86 13.409 -0.119 -3.923 569 HA VAL 86 HA VAL 86 13.146 -2.175 -4.696 570 HB VAL 86 HB VAL 86 15.889 -2.657 -3.516 571 1HG1 VAL 86 1HG1 VAL 86 15.606 -4.825 -3.957 572 2HG1 VAL 86 2HG1 VAL 86 13.971 -4.518 -4.593 573 3HG1 VAL 86 3HG1 VAL 86 15.382 -4.418 -5.674 574 1HG2 VAL 86 1HG2 VAL 86 16.806 -1.903 -5.453 575 2HG2 VAL 86 2HG2 VAL 86 15.456 -2.489 -6.451 576 3HG2 VAL 86 3HG2 VAL 86 15.294 -0.968 -5.540 577 H ASP 87 H ASP 87 15.049 -3.768 -2.228 578 HA ASP 87 HA ASP 87 12.810 -5.082 -1.251 579 1HB ASP 87 1HB ASP 87 15.555 -5.376 -1.091 580 2HB ASP 87 2HB ASP 87 15.153 -4.919 0.570 581 HD2 ASP 87 HD2 ASP 87 13.492 -7.947 1.118 582 H CYS 88 H CYS 88 11.214 -3.946 -0.108 583 HA CYS 88 HA CYS 88 12.033 -1.766 1.604 584 1HB CYS 88 1HB CYS 88 10.188 -1.194 0.336 585 2HB CYS 88 2HB CYS 88 9.406 -2.763 0.550 586 H THR 89 H THR 89 13.260 -3.625 2.865 587 HA THR 89 HA THR 89 11.395 -4.960 4.706 588 HB THR 89 HB THR 89 12.803 -6.586 3.677 589 HG1 THR 89 1HG THR 89 12.910 -6.283 6.147 590 1HG2 THR 89 1HG2 THR 89 14.482 -5.356 2.492 591 2HG2 THR 89 2HG2 THR 89 14.964 -4.456 3.948 592 3HG2 THR 89 3HG2 THR 89 15.392 -6.177 3.783 593 H THR 90 H THR 90 13.298 -2.180 4.413 594 HA THR 90 HA THR 90 14.092 -2.169 7.213 595 HB THR 90 HB THR 90 14.550 -0.366 4.792 596 HG1 THR 90 1HG THR 90 16.143 -1.921 4.830 597 1HG2 THR 90 1HG2 THR 90 15.374 0.019 7.714 598 2HG2 THR 90 2HG2 THR 90 16.193 0.819 6.352 599 3HG2 THR 90 3HG2 THR 90 14.483 1.174 6.693 600 H ALA 91 H ALA 91 12.098 -0.105 4.992 601 HA ALA 91 HA ALA 91 10.850 1.052 7.346 602 1HB ALA 91 1HB ALA 91 11.679 2.120 4.969 603 2HB ALA 91 2HB ALA 91 9.955 1.830 4.624 604 3HB ALA 91 3HB ALA 91 10.429 2.844 6.008 605 H ALA 92 H ALA 92 8.694 0.740 7.924 606 HA ALA 92 HA ALA 92 7.517 -1.675 7.015 607 1HB ALA 92 1HB ALA 92 7.379 -0.072 9.270 608 2HB ALA 92 2HB ALA 92 5.800 0.207 8.495 609 3HB ALA 92 3HB ALA 92 6.306 -1.448 8.912 610 H CYS 93 H CYS 93 6.475 -1.928 5.108 611 HA CYS 93 HA CYS 93 5.495 0.409 3.752 612 1HB CYS 93 1HB CYS 93 4.936 -2.274 2.655 613 2HB CYS 93 2HB CYS 93 5.535 -0.818 1.858 614 H GLN 94 H GLN 94 3.381 1.112 3.865 615 HA GLN 94 HA GLN 94 1.519 -0.706 5.165 616 1HB GLN 94 1HB GLN 94 0.482 1.113 6.126 617 2HB GLN 94 2HB GLN 94 2.126 1.762 5.982 618 1HG GLN 94 1HG GLN 94 1.484 2.819 3.816 619 2HG GLN 94 2HG GLN 94 -0.166 2.206 4.010 620 1HE2 GLN 94 1HE2 GLN 94 2.349 4.220 5.462 621 2HE2 GLN 94 2HE2 GLN 94 1.307 5.324 6.299 622 H VAL 95 H VAL 95 0.002 -1.687 3.903 623 HA VAL 95 HA VAL 95 -0.373 -0.672 1.212 624 HB VAL 95 HB VAL 95 -1.626 -3.115 2.449 625 1HG1 VAL 95 1HG1 VAL 95 -2.187 -2.108 0.092 626 2HG1 VAL 95 2HG1 VAL 95 -0.646 -2.864 -0.382 627 3HG1 VAL 95 3HG1 VAL 95 -1.962 -3.864 0.284 628 1HG2 VAL 95 1HG2 VAL 95 1.226 -2.653 1.669 629 2HG2 VAL 95 2HG2 VAL 95 0.542 -3.663 2.965 630 3HG2 VAL 95 3HG2 VAL 95 0.486 -4.223 1.276 631 H GLY 96 H GLY 96 -2.140 0.455 0.529 632 1HA GLY 96 1HA GLY 96 -4.690 0.222 1.768 633 2HA GLY 96 2HA GLY 96 -3.874 1.677 2.300 634 H LEU 97 H LEU 97 -6.154 2.128 0.932 635 HA LEU 97 HA LEU 97 -5.343 2.609 -1.841 636 1HB LEU 97 1HB LEU 97 -8.114 3.141 -1.165 637 2HB LEU 97 2HB LEU 97 -7.420 2.148 -2.460 638 HG LEU 97 HG LEU 97 -7.882 1.295 0.412 639 1HD1 LEU 97 1HD1 LEU 97 -9.573 1.259 -1.969 640 2HD1 LEU 97 2HD1 LEU 97 -9.372 -0.349 -1.234 641 3HD1 LEU 97 3HD1 LEU 97 -9.989 1.004 -0.257 642 1HD2 LEU 97 1HD2 LEU 97 -7.437 -1.021 -0.778 643 2HD2 LEU 97 2HD2 LEU 97 -6.482 -0.006 -1.888 644 3HD2 LEU 97 3HD2 LEU 97 -6.100 -0.026 -0.149 645 H SER 98 H SER 98 -4.818 4.633 -2.476 646 HA SER 98 HA SER 98 -5.441 6.743 -0.575 647 1HB SER 98 1HB SER 98 -3.554 7.934 -1.415 648 2HB SER 98 2HB SER 98 -3.018 6.253 -1.242 649 HG SER 98 HG SER 98 -2.314 6.951 -3.264 650 H ASP 99 H ASP 99 -5.887 8.970 -1.618 651 HA ASP 99 HA ASP 99 -7.784 8.513 -3.743 652 1HB ASP 99 1HB ASP 99 -7.751 11.255 -3.010 653 2HB ASP 99 2HB ASP 99 -8.959 10.042 -2.556 654 HD2 ASP 99 HD2 ASP 99 -8.104 10.737 0.681 655 H ALA 100 H ALA 100 -7.849 10.241 -5.556 656 HA ALA 100 HA ALA 100 -5.129 10.727 -6.446 657 1HB ALA 100 1HB ALA 100 -6.375 11.365 -8.578 658 2HB ALA 100 2HB ALA 100 -6.567 9.677 -8.047 659 3HB ALA 100 3HB ALA 100 -7.869 10.856 -7.755 660 H ALA 101 H ALA 101 -6.724 12.248 -4.216 661 HA ALA 101 HA ALA 101 -6.550 14.913 -5.430 662 1HB ALA 101 1HB ALA 101 -8.507 15.251 -4.382 663 2HB ALA 101 2HB ALA 101 -8.435 13.619 -3.678 664 3HB ALA 101 3HB ALA 101 -7.696 14.991 -2.819 665 H GLY 102 H GLY 102 -5.158 12.661 -3.110 666 1HA GLY 102 1HA GLY 102 -3.032 12.873 -2.230 667 2HA GLY 102 2HA GLY 102 -3.049 14.597 -2.543 668 H ASN 103 H ASN 103 -5.226 12.318 -0.715 669 HA ASN 103 HA ASN 103 -4.984 14.190 1.508 670 1HB ASN 103 1HB ASN 103 -7.250 12.212 0.977 671 2HB ASN 103 2HB ASN 103 -7.239 13.492 2.199 672 1HD2 ASN 103 1HD2 ASN 103 -6.873 15.726 1.338 673 2HD2 ASN 103 2HD2 ASN 103 -7.696 16.183 -0.116 674 H GLY 104 H GLY 104 -4.773 13.206 3.670 675 1HA GLY 104 1HA GLY 104 -3.055 11.218 4.079 676 2HA GLY 104 2HA GLY 104 -4.384 11.540 5.175 677 HA PRO 105 HA PRO 105 -5.381 7.820 2.363 678 1HB PRO 105 1HB PRO 105 -3.219 6.349 1.570 679 2HB PRO 105 2HB PRO 105 -4.019 7.525 0.529 680 1HG PRO 105 1HG PRO 105 -1.477 7.721 2.012 681 2HG PRO 105 2HG PRO 105 -2.034 8.699 0.605 682 1HD PRO 105 1HD PRO 105 -1.913 9.458 3.364 683 2HD PRO 105 2HD PRO 105 -2.618 10.397 2.042 684 H GLU 106 H GLU 106 -6.142 5.950 3.251 685 HA GLU 106 HA GLU 106 -4.889 5.406 5.788 686 1HB GLU 106 1HB GLU 106 -7.561 5.163 4.638 687 2HB GLU 106 2HB GLU 106 -7.086 3.672 5.472 688 1HG GLU 106 1HG GLU 106 -7.778 4.746 7.349 689 2HG GLU 106 2HG GLU 106 -6.240 5.620 7.252 690 HE2 GLU 106 HE2 GLU 106 -9.484 7.506 5.859 691 H GLY 107 H GLY 107 -3.313 3.875 5.928 692 1HA GLY 107 1HA GLY 107 -3.596 1.460 4.256 693 2HA GLY 107 2HA GLY 107 -2.091 2.357 4.272 694 H VAL 108 H VAL 108 -2.641 -0.437 5.180 695 HA VAL 108 HA VAL 108 -2.121 -0.139 8.049 696 HB VAL 108 HB VAL 108 -4.037 -1.567 7.029 697 1HG1 VAL 108 1HG1 VAL 108 -2.340 -2.700 5.439 698 2HG1 VAL 108 2HG1 VAL 108 -1.874 -3.668 6.857 699 3HG1 VAL 108 3HG1 VAL 108 -3.547 -3.725 6.254 700 1HG2 VAL 108 1HG2 VAL 108 -4.142 -2.669 9.017 701 2HG2 VAL 108 2HG2 VAL 108 -2.453 -3.224 8.931 702 3HG2 VAL 108 3HG2 VAL 108 -2.817 -1.554 9.430 703 H ALA 109 H ALA 109 -0.141 -0.660 8.889 704 HA ALA 109 HA ALA 109 1.986 -1.085 7.051 705 1HB ALA 109 1HB ALA 109 2.653 0.194 8.853 706 2HB ALA 109 2HB ALA 109 1.636 -0.700 10.008 707 3HB ALA 109 3HB ALA 109 3.163 -1.410 9.430 708 H ILE 110 H ILE 110 1.870 -3.049 5.972 709 HA ILE 110 HA ILE 110 1.108 -5.432 7.292 710 HB ILE 110 HB ILE 110 0.976 -4.773 4.810 711 1HG1 ILE 110 1HG1 ILE 110 1.167 -7.167 4.135 712 2HG1 ILE 110 2HG1 ILE 110 1.843 -7.525 5.733 713 1HG2 ILE 110 1HG2 ILE 110 2.894 -5.710 3.473 714 2HG2 ILE 110 2HG2 ILE 110 3.231 -4.191 4.339 715 3HG2 ILE 110 3HG2 ILE 110 3.837 -5.736 4.982 716 1HD1 ILE 110 1HD1 ILE 110 -0.189 -7.241 6.792 717 2HD1 ILE 110 2HD1 ILE 110 -0.714 -5.965 5.668 718 3HD1 ILE 110 3HD1 ILE 110 -0.808 -7.673 5.180 719 H SER 111 H SER 111 2.511 -7.356 7.604 720 HA SER 111 HA SER 111 4.715 -6.664 9.136 721 1HB SER 111 1HB SER 111 3.155 -8.841 8.969 722 2HB SER 111 2HB SER 111 4.513 -9.434 7.996 723 HG SER 111 HG SER 111 5.716 -8.403 10.061 724 H PHE 112 H PHE 112 5.725 -5.232 7.347 725 HA PHE 112 HA PHE 112 6.789 -6.224 5.031 726 1HB PHE 112 1HB PHE 112 8.346 -4.279 5.295 727 2HB PHE 112 2HB PHE 112 6.717 -3.824 5.810 728 HD1 PHE 112 1HD PHE 112 10.155 -4.408 6.856 729 HD2 PHE 112 2HD PHE 112 6.231 -3.512 8.194 730 HE1 PHE 112 1HE PHE 112 11.079 -3.680 9.073 731 HE2 PHE 112 2HE PHE 112 7.153 -2.782 10.410 732 HZ PHE 112 HZ PHE 112 9.567 -2.875 10.824 733 H ASN 113 H ASN 113 8.761 -7.184 4.406 734 HA ASN 113 HA ASN 113 9.773 -9.157 5.791 735 1HB ASN 113 1HB ASN 113 10.878 -7.313 3.735 736 2HB ASN 113 2HB ASN 113 12.114 -8.213 4.627 737 1HD2 ASN 113 1HD2 ASN 113 10.516 -8.221 1.882 738 2HD2 ASN 113 2HD2 ASN 113 10.293 -9.911 1.566 739 6H NCZ 130 6H NCZ 130 0.143 13.395 -0.573 740 6H1 NCZ 130 6H1 NCZ 130 -1.069 10.769 -0.923 741 5H1 NCZ 130 5H1 NCZ 130 -2.060 12.184 1.079 742 4H1 NCZ 130 4H1 NCZ 130 -0.035 12.119 2.948 743 5H NCZ 130 5H NCZ 130 2.993 11.952 0.948 744 3H1 NCZ 130 3H1 NCZ 130 1.561 10.494 2.076 745 2H1 NCZ 130 2H1 NCZ 130 1.448 11.031 -0.691 746 2H NCZ 130 2H NCZ 130 -0.075 8.067 -3.809 747 8H NCZ 130 8H NCZ 130 -0.939 4.977 -3.633 748 7H NCZ 130 7H NCZ 130 -1.651 3.750 -1.611 749 3H NCZ 130 3H NCZ 130 -0.945 4.316 3.005 750 1H17 NCZ 130 1H17 NCZ 130 1.103 7.779 4.992 751 2H17 NCZ 130 2H17 NCZ 130 1.752 8.043 3.356 752 3H17 NCZ 130 3H17 NCZ 130 0.058 8.447 3.718 753 1H18 NCZ 130 1H18 NCZ 130 -1.678 2.673 -0.132 754 2H18 NCZ 130 2H18 NCZ 130 -1.575 2.526 1.636 755 3H18 NCZ 130 3H18 NCZ 130 -2.907 3.445 0.896 756 1H NCZ 130 1H NCZ 130 1.055 7.624 1.263 Start of MODEL 42 1 H ALA 1 H ALA 1 -10.920 -4.604 13.327 2 HA ALA 1 HA ALA 1 -10.348 -7.395 13.664 3 1HB ALA 1 1HB ALA 1 -12.513 -8.250 13.161 4 2HB ALA 1 2HB ALA 1 -12.768 -7.048 14.448 5 3HB ALA 1 3HB ALA 1 -13.145 -6.636 12.758 6 H ALA 2 H ALA 2 -11.788 -4.763 11.642 7 HA ALA 2 HA ALA 2 -9.905 -5.367 9.561 8 1HB ALA 2 1HB ALA 2 -12.870 -5.942 9.257 9 2HB ALA 2 2HB ALA 2 -11.812 -5.620 7.861 10 3HB ALA 2 3HB ALA 2 -11.495 -7.020 8.915 11 HA PRO 3 HA PRO 3 -11.286 -1.062 10.061 12 1HB PRO 3 1HB PRO 3 -8.884 0.032 10.762 13 2HB PRO 3 2HB PRO 3 -10.100 -0.456 11.939 14 1HG PRO 3 1HG PRO 3 -7.588 -1.784 11.147 15 2HG PRO 3 2HG PRO 3 -8.557 -2.015 12.647 16 1HD PRO 3 1HD PRO 3 -8.374 -3.733 10.362 17 2HD PRO 3 2HD PRO 3 -9.462 -3.926 11.744 18 H THR 4 H THR 4 -11.736 -0.215 8.135 19 HA THR 4 HA THR 4 -11.412 0.378 6.011 20 HB THR 4 HB THR 4 -9.772 2.043 5.804 21 HG1 THR 4 1HG THR 4 -7.608 1.571 6.539 22 1HG2 THR 4 1HG2 THR 4 -9.448 1.398 8.780 23 2HG2 THR 4 2HG2 THR 4 -9.161 2.968 7.993 24 3HG2 THR 4 3HG2 THR 4 -10.815 2.325 8.119 25 H ALA 5 H ALA 5 -9.015 0.356 4.381 26 HA ALA 5 HA ALA 5 -9.194 -2.334 3.513 27 1HB ALA 5 1HB ALA 5 -7.005 -1.149 2.242 28 2HB ALA 5 2HB ALA 5 -8.689 -1.142 1.665 29 3HB ALA 5 3HB ALA 5 -8.070 0.223 2.626 30 H THR 6 H THR 6 -8.020 -4.085 4.129 31 HA THR 6 HA THR 6 -5.327 -3.709 5.122 32 HB THR 6 HB THR 6 -6.111 -5.185 7.190 33 HG1 THR 6 1HG THR 6 -8.318 -5.304 6.214 34 1HG2 THR 6 1HG2 THR 6 -5.327 -2.757 7.341 35 2HG2 THR 6 2HG2 THR 6 -7.014 -2.263 7.060 36 3HG2 THR 6 3HG2 THR 6 -6.589 -3.186 8.521 37 H VAL 7 H VAL 7 -4.042 -5.576 4.988 38 HA VAL 7 HA VAL 7 -5.007 -7.433 3.044 39 HB VAL 7 HB VAL 7 -2.472 -6.680 4.325 40 1HG1 VAL 7 1HG1 VAL 7 -1.309 -8.722 4.082 41 2HG1 VAL 7 2HG1 VAL 7 -2.800 -9.140 4.957 42 3HG1 VAL 7 3HG1 VAL 7 -2.662 -9.488 3.218 43 1HG2 VAL 7 1HG2 VAL 7 -2.532 -5.948 2.163 44 2HG2 VAL 7 2HG2 VAL 7 -1.797 -7.546 1.882 45 3HG2 VAL 7 3HG2 VAL 7 -3.542 -7.307 1.610 46 H THR 8 H THR 8 -5.850 -9.452 3.349 47 HA THR 8 HA THR 8 -7.038 -10.259 5.606 48 HB THR 8 HB THR 8 -5.808 -11.663 3.232 49 HG1 THR 8 1HG THR 8 -8.011 -11.675 2.811 50 1HG2 THR 8 1HG2 THR 8 -5.563 -13.187 5.345 51 2HG2 THR 8 2HG2 THR 8 -7.343 -13.174 5.390 52 3HG2 THR 8 3HG2 THR 8 -6.494 -13.840 3.974 53 HA PRO 9 HA PRO 9 -3.371 -12.498 7.391 54 1HB PRO 9 1HB PRO 9 -1.102 -12.963 5.943 55 2HB PRO 9 2HB PRO 9 -2.432 -14.114 6.045 56 1HG PRO 9 1HG PRO 9 -1.673 -12.280 3.861 57 2HG PRO 9 2HG PRO 9 -2.699 -13.757 3.782 58 1HD PRO 9 1HD PRO 9 -3.520 -11.014 3.718 59 2HD PRO 9 2HD PRO 9 -4.577 -12.427 3.798 60 H SER 10 H SER 10 -0.675 -11.298 5.662 61 HA SER 10 HA SER 10 -0.723 -8.821 7.082 62 1HB SER 10 1HB SER 10 1.121 -11.086 7.832 63 2HB SER 10 2HB SER 10 1.689 -9.415 7.993 64 HG SER 10 HG SER 10 0.771 -9.910 9.966 65 H SER 11 H SER 11 0.595 -11.147 4.782 66 HA SER 11 HA SER 11 1.943 -10.987 3.080 67 1HB SER 11 1HB SER 11 0.317 -8.497 3.040 68 2HB SER 11 2HB SER 11 1.730 -8.492 1.968 69 HG SER 11 HG SER 11 0.524 -10.879 1.665 70 H GLY 12 H GLY 12 3.624 -9.145 1.903 71 1HA GLY 12 1HA GLY 12 5.409 -7.741 2.215 72 2HA GLY 12 2HA GLY 12 5.112 -7.710 3.941 73 H LEU 13 H LEU 13 5.039 -10.509 4.525 74 HA LEU 13 HA LEU 13 7.632 -11.081 5.033 75 1HB LEU 13 1HB LEU 13 6.944 -13.350 5.391 76 2HB LEU 13 2HB LEU 13 5.725 -12.224 6.012 77 HG LEU 13 HG LEU 13 5.014 -12.926 3.340 78 1HD1 LEU 13 1HD1 LEU 13 5.849 -15.267 5.054 79 2HD1 LEU 13 2HD1 LEU 13 4.641 -15.408 3.752 80 3HD1 LEU 13 3HD1 LEU 13 6.304 -14.897 3.373 81 1HD2 LEU 13 1HD2 LEU 13 3.722 -12.359 5.625 82 2HD2 LEU 13 2HD2 LEU 13 2.958 -13.189 4.248 83 3HD2 LEU 13 3HD2 LEU 13 3.562 -14.132 5.633 84 H SER 14 H SER 14 5.850 -11.510 1.982 85 HA SER 14 HA SER 14 8.390 -12.311 0.807 86 1HB SER 14 1HB SER 14 6.560 -14.175 1.106 87 2HB SER 14 2HB SER 14 5.780 -13.388 -0.279 88 HG SER 14 HG SER 14 7.763 -15.185 -0.317 89 H ASP 15 H ASP 15 8.989 -10.910 -0.808 90 HA ASP 15 HA ASP 15 7.351 -8.777 -1.476 91 1HB ASP 15 1HB ASP 15 9.114 -8.649 -3.460 92 2HB ASP 15 2HB ASP 15 9.612 -8.310 -1.796 93 HD2 ASP 15 HD2 ASP 15 11.461 -11.079 -3.730 94 H GLY 16 H GLY 16 5.461 -10.471 -2.019 95 1HA GLY 16 1HA GLY 16 4.649 -10.275 -4.583 96 2HA GLY 16 2HA GLY 16 5.640 -11.719 -4.620 97 H THR 17 H THR 17 3.810 -10.647 -1.730 98 HA THR 17 HA THR 17 2.350 -13.166 -1.813 99 HB THR 17 HB THR 17 2.250 -11.040 0.364 100 HG1 THR 17 1HG THR 17 4.488 -11.370 -0.059 101 1HG2 THR 17 1HG2 THR 17 1.072 -12.791 1.293 102 2HG2 THR 17 2HG2 THR 17 1.668 -13.947 0.078 103 3HG2 THR 17 3HG2 THR 17 2.675 -13.543 1.489 104 H VAL 18 H VAL 18 0.532 -13.264 -2.971 105 HA VAL 18 HA VAL 18 -1.017 -10.831 -3.299 106 HB VAL 18 HB VAL 18 -1.573 -13.562 -4.449 107 1HG1 VAL 18 1HG1 VAL 18 -2.640 -10.845 -4.798 108 2HG1 VAL 18 2HG1 VAL 18 -2.207 -11.644 -6.329 109 3HG1 VAL 18 3HG1 VAL 18 -3.355 -12.422 -5.213 110 1HG2 VAL 18 1HG2 VAL 18 0.704 -13.169 -5.040 111 2HG2 VAL 18 2HG2 VAL 18 -0.277 -12.753 -6.466 112 3HG2 VAL 18 3HG2 VAL 18 0.380 -11.462 -5.431 113 H VAL 19 H VAL 19 -2.637 -10.318 -1.931 114 HA VAL 19 HA VAL 19 -4.164 -12.519 -0.772 115 HB VAL 19 HB VAL 19 -4.106 -11.433 1.423 116 1HG1 VAL 19 1HG1 VAL 19 -1.228 -11.703 1.115 117 2HG1 VAL 19 2HG1 VAL 19 -2.385 -12.751 1.971 118 3HG1 VAL 19 3HG1 VAL 19 -2.098 -12.977 0.229 119 1HG2 VAL 19 1HG2 VAL 19 -2.693 -9.345 -0.080 120 2HG2 VAL 19 2HG2 VAL 19 -3.568 -9.253 1.466 121 3HG2 VAL 19 3HG2 VAL 19 -1.877 -9.801 1.435 122 H LYS 20 H LYS 20 -6.058 -11.237 0.633 123 HA LYS 20 HA LYS 20 -7.212 -9.447 -1.379 124 1HB LYS 20 1HB LYS 20 -8.304 -11.666 -0.734 125 2HB LYS 20 2HB LYS 20 -8.724 -10.887 0.802 126 1HG LYS 20 1HG LYS 20 -10.239 -9.460 -0.185 127 2HG LYS 20 2HG LYS 20 -9.338 -9.363 -1.708 128 1HD LYS 20 1HD LYS 20 -10.738 -10.879 -2.602 129 2HD LYS 20 2HD LYS 20 -10.208 -12.077 -1.408 130 1HE LYS 20 1HE LYS 20 -11.955 -10.403 0.016 131 2HE LYS 20 2HE LYS 20 -12.728 -10.565 -1.570 132 1HZ LYS 20 1HZ LYS 20 -13.448 -12.462 -0.696 133 2HZ LYS 20 2HZ LYS 20 -11.966 -13.055 -1.041 134 3HZ LYS 20 3HZ LYS 20 -12.303 -12.527 0.467 135 H VAL 21 H VAL 21 -7.646 -7.338 -0.902 136 HA VAL 21 HA VAL 21 -7.070 -6.528 1.860 137 HB VAL 21 HB VAL 21 -6.614 -5.317 -0.828 138 1HG1 VAL 21 1HG1 VAL 21 -6.137 -3.153 0.712 139 2HG1 VAL 21 2HG1 VAL 21 -7.673 -3.422 -0.148 140 3HG1 VAL 21 3HG1 VAL 21 -7.536 -3.833 1.579 141 1HG2 VAL 21 1HG2 VAL 21 -5.020 -5.458 1.753 142 2HG2 VAL 21 2HG2 VAL 21 -4.753 -6.405 0.268 143 3HG2 VAL 21 3HG2 VAL 21 -4.474 -4.646 0.265 144 H ALA 22 H ALA 22 -9.037 -6.659 2.904 145 HA ALA 22 HA ALA 22 -11.381 -5.626 1.534 146 1HB ALA 22 1HB ALA 22 -12.520 -6.487 3.621 147 2HB ALA 22 2HB ALA 22 -11.645 -7.727 2.690 148 3HB ALA 22 3HB ALA 22 -10.930 -7.059 4.178 149 H GLY 23 H GLY 23 -12.289 -3.647 1.932 150 1HA GLY 23 1HA GLY 23 -11.042 -2.047 4.088 151 2HA GLY 23 2HA GLY 23 -11.569 -1.404 2.546 152 H ALA 24 H ALA 24 -12.532 -2.382 5.774 153 HA ALA 24 HA ALA 24 -15.355 -2.154 5.163 154 1HB ALA 24 1HB ALA 24 -15.277 -3.721 6.792 155 2HB ALA 24 2HB ALA 24 -13.650 -3.224 7.316 156 3HB ALA 24 3HB ALA 24 -15.083 -2.350 7.911 157 H GLY 25 H GLY 25 -16.130 -0.118 4.855 158 1HA GLY 25 1HA GLY 25 -16.759 1.974 5.459 159 2HA GLY 25 2HA GLY 25 -15.882 1.806 6.967 160 H LEU 26 H LEU 26 -14.455 1.276 3.713 161 HA LEU 26 HA LEU 26 -12.261 2.914 4.269 162 1HB LEU 26 1HB LEU 26 -12.667 0.973 2.576 163 2HB LEU 26 2HB LEU 26 -13.124 2.286 1.476 164 HG LEU 26 HG LEU 26 -10.964 3.180 1.463 165 1HD1 LEU 26 1HD1 LEU 26 -10.627 1.755 4.074 166 2HD1 LEU 26 2HD1 LEU 26 -9.188 2.114 3.089 167 3HD1 LEU 26 3HD1 LEU 26 -10.250 3.438 3.627 168 1HD2 LEU 26 1HD2 LEU 26 -11.356 0.493 0.806 169 2HD2 LEU 26 2HD2 LEU 26 -10.051 1.564 0.241 170 3HD2 LEU 26 3HD2 LEU 26 -9.800 0.531 1.670 171 H GLN 27 H GLN 27 -13.171 3.893 1.188 172 HA GLN 27 HA GLN 27 -13.583 6.542 2.147 173 1HB GLN 27 1HB GLN 27 -12.528 5.374 -0.166 174 2HB GLN 27 2HB GLN 27 -14.022 6.147 -0.730 175 1HG GLN 27 1HG GLN 27 -12.094 7.690 -0.866 176 2HG GLN 27 2HG GLN 27 -13.297 8.289 0.287 177 1HE2 GLN 27 1HE2 GLN 27 -12.544 8.986 2.126 178 2HE2 GLN 27 2HE2 GLN 27 -11.077 8.508 2.915 179 H ALA 28 H ALA 28 -15.650 4.405 2.716 180 HA ALA 28 HA ALA 28 -17.859 4.427 2.973 181 1HB ALA 28 1HB ALA 28 -17.386 7.055 2.626 182 2HB ALA 28 2HB ALA 28 -18.342 6.751 1.155 183 3HB ALA 28 3HB ALA 28 -19.031 6.388 2.755 184 H GLY 29 H GLY 29 -16.137 4.285 0.025 185 1HA GLY 29 1HA GLY 29 -16.949 2.300 -1.280 186 2HA GLY 29 2HA GLY 29 -18.477 3.151 -1.383 187 H THR 30 H THR 30 -16.207 5.591 -1.318 188 HA THR 30 HA THR 30 -16.584 6.293 -3.998 189 HB THR 30 HB THR 30 -14.234 7.257 -2.343 190 HG1 THR 30 1HG THR 30 -16.025 8.516 -1.217 191 1HG2 THR 30 1HG2 THR 30 -16.238 9.205 -3.213 192 2HG2 THR 30 2HG2 THR 30 -14.506 9.138 -3.616 193 3HG2 THR 30 3HG2 THR 30 -15.683 8.229 -4.594 194 H ALA 31 H ALA 31 -13.842 7.083 -4.692 195 HA ALA 31 HA ALA 31 -12.696 4.444 -5.261 196 1HB ALA 31 1HB ALA 31 -14.145 5.622 -7.138 197 2HB ALA 31 2HB ALA 31 -12.682 6.614 -7.348 198 3HB ALA 31 3HB ALA 31 -12.597 4.848 -7.547 199 H TYR 32 H TYR 32 -10.411 4.400 -5.360 200 HA TYR 32 HA TYR 32 -8.991 6.909 -5.094 201 1HB TYR 32 1HB TYR 32 -7.852 5.524 -3.040 202 2HB TYR 32 2HB TYR 32 -9.247 6.572 -2.760 203 HD1 TYR 32 1HD TYR 32 -10.595 5.595 -1.139 204 HD2 TYR 32 2HD TYR 32 -8.923 3.116 -4.199 205 HE1 TYR 32 1HE TYR 32 -11.883 3.599 -0.234 206 HE2 TYR 32 2HE TYR 32 -10.218 1.129 -3.285 207 HH TYR 32 HH TYR 32 -12.643 1.115 -1.746 208 H ASP 33 H ASP 33 -6.489 6.039 -4.432 209 HA ASP 33 HA ASP 33 -5.982 4.168 -6.597 210 1HB ASP 33 1HB ASP 33 -4.969 6.577 -6.451 211 2HB ASP 33 2HB ASP 33 -3.899 5.896 -5.216 212 HD2 ASP 33 HD2 ASP 33 -2.076 5.604 -8.251 213 H VAL 34 H VAL 34 -5.714 2.082 -5.767 214 HA VAL 34 HA VAL 34 -4.824 1.718 -3.062 215 HB VAL 34 HB VAL 34 -6.255 0.264 -5.063 216 1HG1 VAL 34 1HG1 VAL 34 -5.305 -1.928 -4.940 217 2HG1 VAL 34 2HG1 VAL 34 -4.005 -0.816 -5.439 218 3HG1 VAL 34 3HG1 VAL 34 -4.082 -1.400 -3.757 219 1HG2 VAL 34 1HG2 VAL 34 -5.749 0.034 -2.105 220 2HG2 VAL 34 2HG2 VAL 34 -7.252 0.433 -2.972 221 3HG2 VAL 34 3HG2 VAL 34 -6.645 -1.241 -2.965 222 H GLY 35 H GLY 35 -2.841 0.857 -2.366 223 1HA GLY 35 1HA GLY 35 -0.879 -0.314 -3.872 224 2HA GLY 35 2HA GLY 35 -0.611 1.405 -4.075 225 H GLN 36 H GLN 36 1.262 -0.306 -2.765 226 HA GLN 36 HA GLN 36 0.840 0.229 0.045 227 1HB GLN 36 1HB GLN 36 3.337 -1.106 -0.898 228 2HB GLN 36 2HB GLN 36 2.292 -1.512 0.475 229 1HG GLN 36 1HG GLN 36 1.291 -3.107 -0.756 230 2HG GLN 36 2HG GLN 36 0.787 -1.902 -1.953 231 1HE2 GLN 36 1HE2 GLN 36 3.007 -1.041 -3.093 232 2HE2 GLN 36 2HE2 GLN 36 3.894 -2.301 -3.880 233 H CYS 37 H CYS 37 1.335 2.343 0.553 234 HA CYS 37 HA CYS 37 3.802 3.410 -0.601 235 1HB CYS 37 1HB CYS 37 1.501 4.559 -0.865 236 2HB CYS 37 2HB CYS 37 1.730 5.063 0.811 237 H ALA 38 H ALA 38 5.244 4.617 0.908 238 HA ALA 38 HA ALA 38 4.865 4.748 3.642 239 1HB ALA 38 1HB ALA 38 4.863 2.429 3.944 240 2HB ALA 38 2HB ALA 38 6.039 2.155 2.638 241 3HB ALA 38 3HB ALA 38 6.577 2.836 4.191 242 H TRP 39 H TRP 39 7.006 5.251 4.783 243 HA TRP 39 HA TRP 39 8.492 6.980 3.085 244 1HB TRP 39 1HB TRP 39 9.784 7.449 5.119 245 2HB TRP 39 2HB TRP 39 8.043 7.635 5.338 246 HD1 TRP 39 HD TRP 39 6.824 5.646 6.858 247 HE1 TRP 39 1HE TRP 39 7.691 4.091 8.804 248 HE3 TRP 39 3HE TRP 39 11.772 6.281 5.870 249 HZ2 TRP 39 2HZ TRP 39 10.291 3.318 9.695 250 HZ3 TRP 39 3HZ TRP 39 13.409 5.089 7.325 251 HH2 TRP 39 HH TRP 39 12.737 3.651 9.183 252 H VAL 40 H VAL 40 10.057 6.278 1.697 253 HA VAL 40 HA VAL 40 11.399 3.762 2.349 254 HB VAL 40 HB VAL 40 10.152 4.499 0.097 255 1HG1 VAL 40 1HG1 VAL 40 11.544 6.385 -0.441 256 2HG1 VAL 40 2HG1 VAL 40 13.023 5.412 -0.263 257 3HG1 VAL 40 3HG1 VAL 40 11.902 5.086 -1.605 258 1HG2 VAL 40 1HG2 VAL 40 12.609 2.758 0.415 259 2HG2 VAL 40 2HG2 VAL 40 10.898 2.267 0.429 260 3HG2 VAL 40 3HG2 VAL 40 11.654 2.819 -1.087 261 H ASP 41 H ASP 41 12.010 7.188 1.346 262 HA ASP 41 HA ASP 41 14.808 6.807 1.816 263 1HB ASP 41 1HB ASP 41 13.215 8.554 0.280 264 2HB ASP 41 2HB ASP 41 13.918 9.589 1.529 265 HD2 ASP 41 HD2 ASP 41 16.158 8.324 -1.437 266 H THR 42 H THR 42 15.445 9.407 2.913 267 HA THR 42 HA THR 42 15.110 8.942 5.650 268 HB THR 42 HB THR 42 15.926 11.393 4.009 269 HG1 THR 42 1HG THR 42 17.199 9.351 3.950 270 1HG2 THR 42 1HG2 THR 42 15.428 11.169 6.865 271 2HG2 THR 42 2HG2 THR 42 17.181 11.284 6.588 272 3HG2 THR 42 3HG2 THR 42 16.098 12.553 5.970 273 H GLY 43 H GLY 43 12.903 8.560 6.104 274 1HA GLY 43 1HA GLY 43 10.834 9.151 6.748 275 2HA GLY 43 2HA GLY 43 11.490 10.743 7.066 276 H VAL 44 H VAL 44 11.795 9.504 3.784 277 HA VAL 44 HA VAL 44 9.860 11.513 2.931 278 HB VAL 44 HB VAL 44 11.936 9.936 1.394 279 1HG1 VAL 44 1HG1 VAL 44 10.157 12.254 0.570 280 2HG1 VAL 44 2HG1 VAL 44 11.540 11.654 -0.376 281 3HG1 VAL 44 3HG1 VAL 44 10.139 10.596 -0.079 282 1HG2 VAL 44 1HG2 VAL 44 13.414 11.340 2.317 283 2HG2 VAL 44 2HG2 VAL 44 12.628 12.644 1.392 284 3HG2 VAL 44 3HG2 VAL 44 12.125 12.312 3.068 285 H LEU 45 H LEU 45 7.809 10.884 2.536 286 HA LEU 45 HA LEU 45 7.094 8.168 2.465 287 1HB LEU 45 1HB LEU 45 5.846 10.636 2.760 288 2HB LEU 45 2HB LEU 45 5.136 9.946 1.292 289 HG LEU 45 HG LEU 45 3.775 9.396 3.201 290 1HD1 LEU 45 1HD1 LEU 45 5.259 6.862 2.491 291 2HD1 LEU 45 2HD1 LEU 45 3.538 7.068 2.893 292 3HD1 LEU 45 3HD1 LEU 45 4.175 7.700 1.356 293 1HD2 LEU 45 1HD2 LEU 45 5.743 7.671 4.564 294 2HD2 LEU 45 2HD2 LEU 45 6.063 9.419 4.674 295 3HD2 LEU 45 3HD2 LEU 45 4.505 8.762 5.231 296 H ALA 46 H ALA 46 7.687 6.790 0.874 297 HA ALA 46 HA ALA 46 7.433 7.799 -1.877 298 1HB ALA 46 1HB ALA 46 9.283 5.537 -1.366 299 2HB ALA 46 2HB ALA 46 9.486 6.971 -2.399 300 3HB ALA 46 3HB ALA 46 9.779 7.088 -0.648 301 H CYS 47 H CYS 47 6.195 6.576 -3.271 302 HA CYS 47 HA CYS 47 4.899 4.275 -2.041 303 1HB CYS 47 1HB CYS 47 4.132 5.755 -4.557 304 2HB CYS 47 2HB CYS 47 3.181 4.531 -3.712 305 H ASN 48 H ASN 48 4.621 2.293 -3.407 306 HA ASN 48 HA ASN 48 7.055 1.769 -4.792 307 1HB ASN 48 1HB ASN 48 4.652 -0.091 -4.622 308 2HB ASN 48 2HB ASN 48 6.361 -0.536 -4.738 309 1HD2 ASN 48 1HD2 ASN 48 7.153 1.565 -2.840 310 2HD2 ASN 48 2HD2 ASN 48 6.737 1.001 -1.257 311 HA PRO 49 HA PRO 49 5.349 1.980 -8.831 312 1HB PRO 49 1HB PRO 49 6.429 -0.148 -10.162 313 2HB PRO 49 2HB PRO 49 7.315 1.344 -9.850 314 1HG PRO 49 1HG PRO 49 7.500 -1.286 -8.526 315 2HG PRO 49 2HG PRO 49 8.705 0.051 -8.538 316 1HD PRO 49 1HD PRO 49 6.943 -0.738 -6.423 317 2HD PRO 49 2HD PRO 49 7.995 0.685 -6.446 318 H ALA 50 H ALA 50 4.561 -0.643 -6.900 319 HA ALA 50 HA ALA 50 2.460 -1.419 -8.798 320 1HB ALA 50 1HB ALA 50 2.888 -3.540 -8.186 321 2HB ALA 50 2HB ALA 50 4.312 -2.928 -7.314 322 3HB ALA 50 3HB ALA 50 2.764 -3.127 -6.460 323 H ASP 51 H ASP 51 2.792 0.931 -6.700 324 HA ASP 51 HA ASP 51 0.633 0.271 -4.931 325 1HB ASP 51 1HB ASP 51 2.227 1.565 -3.829 326 2HB ASP 51 2HB ASP 51 2.582 2.548 -5.257 327 HD2 ASP 51 HD2 ASP 51 0.150 4.869 -4.438 328 H PHE 52 H PHE 52 0.723 0.949 -8.112 329 HA PHE 52 HA PHE 52 -1.379 2.987 -8.040 330 1HB PHE 52 1HB PHE 52 0.050 1.876 -10.492 331 2HB PHE 52 2HB PHE 52 -0.632 3.493 -10.278 332 HD1 PHE 52 1HD PHE 52 0.597 4.384 -7.791 333 HD2 PHE 52 2HD PHE 52 2.283 2.155 -10.982 334 HE1 PHE 52 1HE PHE 52 2.876 5.246 -7.187 335 HE2 PHE 52 2HE PHE 52 4.562 3.017 -10.381 336 HZ PHE 52 HZ PHE 52 4.831 4.553 -8.490 337 H SER 53 H SER 53 -3.194 1.675 -7.542 338 HA SER 53 HA SER 53 -4.061 0.117 -9.796 339 1HB SER 53 1HB SER 53 -3.400 -1.813 -8.800 340 2HB SER 53 2HB SER 53 -3.247 -1.066 -7.201 341 HG SER 53 HG SER 53 -5.340 -2.529 -8.303 342 H SER 54 H SER 54 -5.693 1.713 -10.099 343 HA SER 54 HA SER 54 -7.137 2.943 -8.188 344 1HB SER 54 1HB SER 54 -8.791 3.395 -9.894 345 2HB SER 54 2HB SER 54 -7.195 3.391 -10.665 346 HG SER 54 HG SER 54 -8.155 0.864 -10.753 347 H VAL 55 H VAL 55 -8.555 2.265 -6.621 348 HA VAL 55 HA VAL 55 -10.136 -0.131 -7.179 349 HB VAL 55 HB VAL 55 -8.271 0.347 -4.867 350 1HG1 VAL 55 1HG1 VAL 55 -10.889 -0.430 -4.463 351 2HG1 VAL 55 2HG1 VAL 55 -10.036 -1.988 -4.595 352 3HG1 VAL 55 3HG1 VAL 55 -9.519 -0.789 -3.384 353 1HG2 VAL 55 1HG2 VAL 55 -8.609 -1.686 -7.026 354 2HG2 VAL 55 2HG2 VAL 55 -7.129 -0.999 -6.317 355 3HG2 VAL 55 3HG2 VAL 55 -8.036 -2.256 -5.439 356 H THR 56 H THR 56 -12.165 -0.191 -6.041 357 HA THR 56 HA THR 56 -12.832 2.309 -4.646 358 HB THR 56 HB THR 56 -13.926 1.164 -7.181 359 HG1 THR 56 1HG THR 56 -14.403 3.737 -5.937 360 1HG2 THR 56 1HG2 THR 56 -15.709 2.343 -4.985 361 2HG2 THR 56 2HG2 THR 56 -16.181 2.202 -6.696 362 3HG2 THR 56 3HG2 THR 56 -15.886 0.737 -5.731 363 H ALA 57 H ALA 57 -14.725 2.145 -3.226 364 HA ALA 57 HA ALA 57 -14.871 -0.579 -2.142 365 1HB ALA 57 1HB ALA 57 -15.812 0.863 -0.133 366 2HB ALA 57 2HB ALA 57 -14.060 0.766 -0.429 367 3HB ALA 57 3HB ALA 57 -14.975 2.192 -0.971 368 H ASP 58 H ASP 58 -16.935 -1.464 -1.568 369 HA ASP 58 HA ASP 58 -18.919 -0.879 -3.402 370 1HB ASP 58 1HB ASP 58 -19.377 -2.219 -0.713 371 2HB ASP 58 2HB ASP 58 -20.235 -2.527 -2.229 372 HD2 ASP 58 HD2 ASP 58 -16.849 -4.019 -3.070 373 H ALA 59 H ALA 59 -21.249 -0.206 -2.773 374 HA ALA 59 HA ALA 59 -21.446 2.284 -1.838 375 1HB ALA 59 1HB ALA 59 -23.239 -0.014 -2.179 376 2HB ALA 59 2HB ALA 59 -23.799 1.104 -0.912 377 3HB ALA 59 3HB ALA 59 -23.504 1.704 -2.561 378 H ASN 60 H ASN 60 -21.262 -0.712 0.129 379 HA ASN 60 HA ASN 60 -21.655 0.802 2.527 380 1HB ASN 60 1HB ASN 60 -22.276 -1.741 1.923 381 2HB ASN 60 2HB ASN 60 -20.644 -2.050 2.534 382 1HD2 ASN 60 1HD2 ASN 60 -21.966 -3.301 4.091 383 2HD2 ASN 60 2HD2 ASN 60 -22.529 -2.515 5.527 384 H GLY 61 H GLY 61 -19.387 1.629 0.912 385 1HA GLY 61 1HA GLY 61 -17.135 1.860 0.910 386 2HA GLY 61 2HA GLY 61 -17.363 1.994 2.641 387 H SER 62 H SER 62 -17.820 -0.889 0.492 388 HA SER 62 HA SER 62 -15.845 -2.222 2.169 389 1HB SER 62 1HB SER 62 -17.578 -3.870 0.414 390 2HB SER 62 2HB SER 62 -17.133 -4.116 2.111 391 HG SER 62 HG SER 62 -19.475 -3.328 1.227 392 H ALA 63 H ALA 63 -13.872 -2.051 1.122 393 HA ALA 63 HA ALA 63 -13.869 -2.525 -1.773 394 1HB ALA 63 1HB ALA 63 -11.354 -1.595 -0.661 395 2HB ALA 63 2HB ALA 63 -12.400 -0.828 -1.880 396 3HB ALA 63 3HB ALA 63 -12.689 -0.536 -0.148 397 H SER 64 H SER 64 -13.891 -4.791 -1.855 398 HA SER 64 HA SER 64 -11.809 -6.101 -0.309 399 1HB SER 64 1HB SER 64 -13.066 -8.207 -1.133 400 2HB SER 64 2HB SER 64 -13.876 -7.191 0.072 401 HG SER 64 HG SER 64 -15.481 -7.315 -1.370 402 H THR 65 H THR 65 -10.211 -5.091 -1.898 403 HA THR 65 HA THR 65 -10.179 -6.582 -4.438 404 HB THR 65 HB THR 65 -8.869 -3.924 -3.657 405 HG1 THR 65 1HG THR 65 -11.328 -4.196 -3.884 406 1HG2 THR 65 1HG2 THR 65 -8.915 -5.626 -6.152 407 2HG2 THR 65 2HG2 THR 65 -9.058 -3.862 -6.348 408 3HG2 THR 65 3HG2 THR 65 -7.628 -4.557 -5.545 409 H SER 66 H SER 66 -8.482 -7.876 -4.976 410 HA SER 66 HA SER 66 -6.599 -8.282 -2.812 411 1HB SER 66 1HB SER 66 -6.076 -10.415 -4.010 412 2HB SER 66 2HB SER 66 -7.783 -10.281 -3.547 413 HG SER 66 HG SER 66 -6.792 -10.782 -5.972 414 H LEU 67 H LEU 67 -4.364 -7.970 -3.073 415 HA LEU 67 HA LEU 67 -3.409 -7.365 -5.759 416 1HB LEU 67 1HB LEU 67 -3.939 -5.408 -3.754 417 2HB LEU 67 2HB LEU 67 -2.188 -5.502 -4.016 418 HG LEU 67 HG LEU 67 -2.977 -5.392 -6.570 419 1HD1 LEU 67 1HD1 LEU 67 -5.277 -4.291 -4.987 420 2HD1 LEU 67 2HD1 LEU 67 -4.841 -3.555 -6.548 421 3HD1 LEU 67 3HD1 LEU 67 -5.277 -5.280 -6.469 422 1HD2 LEU 67 1HD2 LEU 67 -3.035 -2.686 -5.764 423 2HD2 LEU 67 2HD2 LEU 67 -1.965 -3.537 -4.622 424 3HD2 LEU 67 3HD2 LEU 67 -1.651 -3.628 -6.374 425 H THR 68 H THR 68 -0.885 -7.132 -5.652 426 HA THR 68 HA THR 68 0.040 -9.300 -3.898 427 HB THR 68 HB THR 68 0.196 -9.608 -6.393 428 HG1 THR 68 1HG THR 68 2.476 -10.173 -6.184 429 1HG2 THR 68 1HG2 THR 68 2.521 -7.936 -6.809 430 2HG2 THR 68 2HG2 THR 68 0.998 -7.941 -7.729 431 3HG2 THR 68 3HG2 THR 68 1.171 -6.895 -6.300 432 H VAL 69 H VAL 69 1.312 -8.879 -2.210 433 HA VAL 69 HA VAL 69 2.298 -6.167 -1.941 434 HB VAL 69 HB VAL 69 2.346 -8.509 -0.030 435 1HG1 VAL 69 1HG1 VAL 69 4.010 -6.593 0.309 436 2HG1 VAL 69 2HG1 VAL 69 2.594 -5.575 0.661 437 3HG1 VAL 69 3HG1 VAL 69 2.946 -6.992 1.679 438 1HG2 VAL 69 1HG2 VAL 69 0.053 -7.996 -0.523 439 2HG2 VAL 69 2HG2 VAL 69 0.435 -7.300 1.070 440 3HG2 VAL 69 3HG2 VAL 69 0.351 -6.249 -0.365 441 H ARG 70 H ARG 70 3.992 -6.072 -3.485 442 HA ARG 70 HA ARG 70 6.079 -8.035 -3.125 443 1HB ARG 70 1HB ARG 70 5.785 -5.829 -5.216 444 2HB ARG 70 2HB ARG 70 7.007 -7.111 -5.244 445 1HG ARG 70 1HG ARG 70 4.441 -8.352 -4.945 446 2HG ARG 70 2HG ARG 70 4.301 -7.164 -6.252 447 1HD ARG 70 1HD ARG 70 6.121 -8.182 -7.469 448 2HD ARG 70 2HD ARG 70 6.570 -9.197 -6.091 449 HE ARG 70 HE ARG 70 4.828 -10.676 -6.646 450 1HH1 ARG 70 1HH1 ARG 70 4.454 -7.674 -8.446 451 2HH1 ARG 70 2HH1 ARG 70 3.198 -8.293 -9.465 452 1HH2 ARG 70 1HH2 ARG 70 3.171 -11.492 -7.990 453 2HH2 ARG 70 2HH2 ARG 70 2.463 -10.479 -9.204 454 H ARG 71 H ARG 71 6.635 -7.044 -0.959 455 HA ARG 71 HA ARG 71 7.234 -4.564 -0.374 456 1HB ARG 71 1HB ARG 71 7.645 -6.801 0.934 457 2HB ARG 71 2HB ARG 71 9.295 -6.703 0.292 458 1HG ARG 71 1HG ARG 71 9.833 -5.220 1.896 459 2HG ARG 71 2HG ARG 71 8.570 -4.112 1.330 460 1HD ARG 71 1HD ARG 71 8.330 -4.771 3.745 461 2HD ARG 71 2HD ARG 71 6.912 -5.196 2.773 462 HE ARG 71 HE ARG 71 7.702 -7.528 2.772 463 1HH1 ARG 71 1HH1 ARG 71 9.357 -5.354 4.988 464 2HH1 ARG 71 2HH1 ARG 71 9.948 -6.629 6.000 465 1HH2 ARG 71 1HH2 ARG 71 8.483 -9.211 4.105 466 2HH2 ARG 71 2HH2 ARG 71 9.449 -8.838 5.493 467 H SER 72 H SER 72 9.023 -6.636 -2.635 468 HA SER 72 HA SER 72 11.204 -4.768 -2.761 469 1HB SER 72 1HB SER 72 10.612 -7.494 -3.856 470 2HB SER 72 2HB SER 72 11.788 -6.502 -4.738 471 HG SER 72 HG SER 72 13.150 -6.500 -2.980 472 H PHE 73 H PHE 73 11.570 -3.308 -4.465 473 HA PHE 73 HA PHE 73 10.686 -3.367 -6.986 474 1HB PHE 73 1HB PHE 73 8.605 -1.731 -6.620 475 2HB PHE 73 2HB PHE 73 8.360 -3.473 -6.455 476 HD1 PHE 73 1HD PHE 73 10.138 -1.494 -3.924 477 HD2 PHE 73 2HD PHE 73 6.433 -3.245 -5.031 478 HE1 PHE 73 1HE PHE 73 9.272 -1.138 -1.593 479 HE2 PHE 73 2HE PHE 73 5.568 -2.886 -2.703 480 HZ PHE 73 HZ PHE 73 6.998 -1.837 -1.012 481 H GLU 74 H GLU 74 10.214 -0.934 -7.869 482 HA GLU 74 HA GLU 74 12.321 0.601 -6.631 483 1HB GLU 74 1HB GLU 74 12.278 0.123 -9.107 484 2HB GLU 74 2HB GLU 74 10.841 1.152 -9.239 485 1HG GLU 74 1HG GLU 74 12.228 3.002 -8.148 486 2HG GLU 74 2HG GLU 74 13.644 1.963 -8.357 487 HE2 GLU 74 HE2 GLU 74 11.902 3.001 -11.790 488 H GLY 75 H GLY 75 11.647 1.891 -4.958 489 1HA GLY 75 1HA GLY 75 8.966 2.934 -4.862 490 2HA GLY 75 2HA GLY 75 10.264 3.189 -3.710 491 H PHE 76 H PHE 76 8.527 5.287 -4.543 492 HA PHE 76 HA PHE 76 10.504 7.024 -5.792 493 1HB PHE 76 1HB PHE 76 7.529 7.008 -6.516 494 2HB PHE 76 2HB PHE 76 8.828 7.835 -7.384 495 HD1 PHE 76 1HD PHE 76 10.388 6.521 -8.785 496 HD2 PHE 76 2HD PHE 76 7.021 4.723 -6.930 497 HE1 PHE 76 1HE PHE 76 10.589 4.550 -10.327 498 HE2 PHE 76 2HE PHE 76 7.222 2.752 -8.472 499 HZ PHE 76 HZ PHE 76 9.005 2.689 -10.152 500 H LEU 77 H LEU 77 10.630 9.002 -4.791 501 HA LEU 77 HA LEU 77 9.087 9.399 -2.452 502 1HB LEU 77 1HB LEU 77 10.834 11.404 -3.856 503 2HB LEU 77 2HB LEU 77 10.399 11.347 -2.138 504 HG LEU 77 HG LEU 77 12.203 9.423 -3.631 505 1HD1 LEU 77 1HD1 LEU 77 13.449 10.686 -1.391 506 2HD1 LEU 77 2HD1 LEU 77 13.875 10.784 -3.117 507 3HD1 LEU 77 3HD1 LEU 77 12.715 11.940 -2.420 508 1HD2 LEU 77 1HD2 LEU 77 10.764 8.388 -1.818 509 2HD2 LEU 77 2HD2 LEU 77 12.526 8.210 -1.627 510 3HD2 LEU 77 3HD2 LEU 77 11.645 9.416 -0.661 511 H PHE 78 H PHE 78 7.534 11.059 -2.001 512 HA PHE 78 HA PHE 78 5.791 11.516 -4.208 513 1HB PHE 78 1HB PHE 78 4.329 12.249 -2.461 514 2HB PHE 78 2HB PHE 78 5.378 11.106 -1.611 515 HD1 PHE 78 1HD PHE 78 4.140 14.447 -1.730 516 HD2 PHE 78 2HD PHE 78 7.384 12.086 -0.351 517 HE1 PHE 78 1HE PHE 78 4.759 16.251 -0.102 518 HE2 PHE 78 2HE PHE 78 8.005 13.892 1.280 519 HZ PHE 78 HZ PHE 78 6.684 15.952 1.385 520 H ASP 79 H ASP 79 8.399 13.275 -2.625 521 HA ASP 79 HA ASP 79 7.642 15.847 -3.040 522 1HB ASP 79 1HB ASP 79 9.916 14.540 -2.204 523 2HB ASP 79 2HB ASP 79 10.476 15.228 -3.737 524 HD2 ASP 79 HD2 ASP 79 10.980 18.238 -2.227 525 H GLY 80 H GLY 80 9.436 13.570 -5.244 526 1HA GLY 80 1HA GLY 80 8.269 14.141 -7.606 527 2HA GLY 80 2HA GLY 80 9.413 15.457 -7.434 528 H THR 81 H THR 81 11.249 13.638 -5.752 529 HA THR 81 HA THR 81 12.611 12.482 -8.045 530 HB THR 81 HB THR 81 13.901 13.898 -6.516 531 HG1 THR 81 1HG THR 81 15.149 12.119 -7.161 532 1HG2 THR 81 1HG2 THR 81 12.957 13.873 -4.361 533 2HG2 THR 81 2HG2 THR 81 12.603 12.130 -4.430 534 3HG2 THR 81 3HG2 THR 81 14.269 12.690 -4.144 535 H ARG 82 H ARG 82 13.452 10.297 -8.054 536 HA ARG 82 HA ARG 82 11.563 8.558 -6.703 537 1HB ARG 82 1HB ARG 82 12.318 6.852 -8.412 538 2HB ARG 82 2HB ARG 82 11.566 8.288 -9.131 539 1HG ARG 82 1HG ARG 82 14.362 8.827 -8.843 540 2HG ARG 82 2HG ARG 82 14.218 7.215 -9.568 541 1HD ARG 82 1HD ARG 82 12.550 8.268 -11.213 542 2HD ARG 82 2HD ARG 82 13.063 9.846 -10.594 543 HE ARG 82 HE ARG 82 15.415 8.424 -11.255 544 1HH1 ARG 82 1HH1 ARG 82 12.579 9.670 -12.925 545 2HH1 ARG 82 2HH1 ARG 82 13.408 9.900 -14.429 546 1HH2 ARG 82 1HH2 ARG 82 16.507 8.726 -13.238 547 2HH2 ARG 82 2HH2 ARG 82 15.658 9.358 -14.609 548 H TRP 83 H TRP 83 12.353 6.617 -5.599 549 HA TRP 83 HA TRP 83 15.156 6.896 -4.774 550 1HB TRP 83 1HB TRP 83 13.468 7.152 -3.016 551 2HB TRP 83 2HB TRP 83 12.850 5.537 -3.368 552 HD1 TRP 83 HD TRP 83 13.718 3.895 -1.543 553 HE1 TRP 83 1HE TRP 83 15.912 3.462 -0.143 554 HE3 TRP 83 3HE TRP 83 16.347 7.802 -3.463 555 HZ2 TRP 83 2HZ TRP 83 18.442 4.772 0.003 556 HZ3 TRP 83 3HZ TRP 83 18.672 8.154 -2.637 557 HH2 TRP 83 HH TRP 83 19.725 6.717 -0.965 558 H GLY 84 H GLY 84 12.938 4.072 -4.527 559 1HA GLY 84 1HA GLY 84 13.076 2.403 -6.379 560 2HA GLY 84 2HA GLY 84 14.817 2.572 -6.252 561 H THR 85 H THR 85 15.811 2.134 -4.019 562 HA THR 85 HA THR 85 16.132 0.800 -2.267 563 HB THR 85 HB THR 85 13.095 0.978 -2.311 564 HG1 THR 85 1HG THR 85 15.338 1.709 -0.560 565 1HG2 THR 85 1HG2 THR 85 14.823 -0.911 -0.751 566 2HG2 THR 85 2HG2 THR 85 13.688 0.066 0.212 567 3HG2 THR 85 3HG2 THR 85 13.076 -0.990 -1.084 568 H VAL 86 H VAL 86 13.407 -0.661 -4.173 569 HA VAL 86 HA VAL 86 13.405 -2.549 -5.369 570 HB VAL 86 HB VAL 86 15.310 -3.586 -6.040 571 1HG1 VAL 86 1HG1 VAL 86 16.592 -1.868 -6.700 572 2HG1 VAL 86 2HG1 VAL 86 15.547 -0.844 -5.686 573 3HG1 VAL 86 3HG1 VAL 86 17.075 -1.479 -5.030 574 1HG2 VAL 86 1HG2 VAL 86 16.360 -4.771 -4.452 575 2HG2 VAL 86 2HG2 VAL 86 17.378 -3.332 -4.209 576 3HG2 VAL 86 3HG2 VAL 86 15.949 -3.594 -3.182 577 H ASP 87 H ASP 87 14.370 -2.319 -2.000 578 HA ASP 87 HA ASP 87 12.738 -4.654 -1.505 579 1HB ASP 87 1HB ASP 87 15.321 -5.131 -1.516 580 2HB ASP 87 2HB ASP 87 15.329 -4.265 0.028 581 HD2 ASP 87 HD2 ASP 87 13.084 -7.521 0.200 582 H CYS 88 H CYS 88 11.117 -3.625 -0.300 583 HA CYS 88 HA CYS 88 11.886 -1.476 1.479 584 1HB CYS 88 1HB CYS 88 10.015 -0.935 0.202 585 2HB CYS 88 2HB CYS 88 9.260 -2.512 0.443 586 H THR 89 H THR 89 13.088 -3.750 2.378 587 HA THR 89 HA THR 89 11.294 -5.080 4.247 588 HB THR 89 HB THR 89 14.249 -5.466 3.533 589 HG1 THR 89 1HG THR 89 11.746 -6.878 2.930 590 1HG2 THR 89 1HG2 THR 89 14.302 -7.251 4.987 591 2HG2 THR 89 2HG2 THR 89 12.934 -6.445 5.792 592 3HG2 THR 89 3HG2 THR 89 12.632 -7.724 4.588 593 H THR 90 H THR 90 13.366 -2.327 4.130 594 HA THR 90 HA THR 90 13.963 -2.448 6.973 595 HB THR 90 HB THR 90 14.622 -0.523 4.687 596 HG1 THR 90 1HG THR 90 16.769 -1.490 5.338 597 1HG2 THR 90 1HG2 THR 90 15.071 -0.334 7.671 598 2HG2 THR 90 2HG2 THR 90 16.414 0.122 6.594 599 3HG2 THR 90 3HG2 THR 90 14.854 0.974 6.483 600 H ALA 91 H ALA 91 12.096 -0.336 4.695 601 HA ALA 91 HA ALA 91 10.852 0.923 7.001 602 1HB ALA 91 1HB ALA 91 11.568 2.404 5.250 603 2HB ALA 91 2HB ALA 91 10.776 1.413 4.002 604 3HB ALA 91 3HB ALA 91 9.794 2.330 5.170 605 H ALA 92 H ALA 92 8.621 0.790 7.480 606 HA ALA 92 HA ALA 92 7.419 -1.677 6.671 607 1HB ALA 92 1HB ALA 92 6.895 0.525 8.630 608 2HB ALA 92 2HB ALA 92 5.511 -0.474 8.125 609 3HB ALA 92 3HB ALA 92 6.933 -1.238 8.876 610 H CYS 93 H CYS 93 6.451 -1.889 4.715 611 HA CYS 93 HA CYS 93 5.440 0.461 3.405 612 1HB CYS 93 1HB CYS 93 4.886 -2.140 2.177 613 2HB CYS 93 2HB CYS 93 5.628 -0.691 1.496 614 H GLN 94 H GLN 94 3.324 1.134 3.564 615 HA GLN 94 HA GLN 94 1.491 -0.725 4.832 616 1HB GLN 94 1HB GLN 94 1.370 2.288 4.430 617 2HB GLN 94 2HB GLN 94 0.090 1.341 5.209 618 1HG GLN 94 1HG GLN 94 1.283 1.096 7.138 619 2HG GLN 94 2HG GLN 94 2.820 0.865 6.288 620 1HE2 GLN 94 1HE2 GLN 94 0.547 3.120 7.649 621 2HE2 GLN 94 2HE2 GLN 94 1.548 4.533 7.632 622 H VAL 95 H VAL 95 -0.026 -1.764 3.616 623 HA VAL 95 HA VAL 95 -0.376 -0.884 0.872 624 HB VAL 95 HB VAL 95 -1.587 -3.285 2.237 625 1HG1 VAL 95 1HG1 VAL 95 -1.808 -2.224 -0.362 626 2HG1 VAL 95 2HG1 VAL 95 -0.731 -3.633 -0.508 627 3HG1 VAL 95 3HG1 VAL 95 -2.348 -3.821 0.207 628 1HG2 VAL 95 1HG2 VAL 95 0.666 -4.151 0.812 629 2HG2 VAL 95 2HG2 VAL 95 1.223 -2.734 1.736 630 3HG2 VAL 95 3HG2 VAL 95 0.463 -4.105 2.578 631 H GLY 96 H GLY 96 -1.840 0.705 0.518 632 1HA GLY 96 1HA GLY 96 -4.551 0.326 1.428 633 2HA GLY 96 2HA GLY 96 -3.736 1.677 2.189 634 H LEU 97 H LEU 97 -5.813 2.519 0.802 635 HA LEU 97 HA LEU 97 -4.817 3.210 -1.868 636 1HB LEU 97 1HB LEU 97 -7.326 3.918 -2.063 637 2HB LEU 97 2HB LEU 97 -6.811 2.238 -2.303 638 HG LEU 97 HG LEU 97 -8.897 2.500 -0.979 639 1HD1 LEU 97 1HD1 LEU 97 -7.337 1.294 1.112 640 2HD1 LEU 97 2HD1 LEU 97 -8.393 0.529 -0.100 641 3HD1 LEU 97 3HD1 LEU 97 -6.679 0.830 -0.475 642 1HD2 LEU 97 1HD2 LEU 97 -9.092 3.714 0.909 643 2HD2 LEU 97 2HD2 LEU 97 -7.440 3.340 1.454 644 3HD2 LEU 97 3HD2 LEU 97 -7.708 4.604 0.230 645 H SER 98 H SER 98 -4.883 5.416 -2.567 646 HA SER 98 HA SER 98 -4.812 7.222 -0.291 647 1HB SER 98 1HB SER 98 -3.338 8.603 -1.552 648 2HB SER 98 2HB SER 98 -2.785 6.944 -1.838 649 HG SER 98 HG SER 98 -4.533 7.341 -3.759 650 H ASP 99 H ASP 99 -5.889 9.323 -0.440 651 HA ASP 99 HA ASP 99 -8.288 9.123 -1.969 652 1HB ASP 99 1HB ASP 99 -7.579 11.643 -0.518 653 2HB ASP 99 2HB ASP 99 -9.114 10.761 -0.546 654 HD2 ASP 99 HD2 ASP 99 -8.324 9.023 2.321 655 H ALA 100 H ALA 100 -9.038 11.192 -3.224 656 HA ALA 100 HA ALA 100 -6.849 12.013 -4.938 657 1HB ALA 100 1HB ALA 100 -8.690 12.897 -6.346 658 2HB ALA 100 2HB ALA 100 -8.941 11.186 -5.926 659 3HB ALA 100 3HB ALA 100 -9.861 12.453 -5.080 660 H ALA 101 H ALA 101 -7.180 12.950 -2.049 661 HA ALA 101 HA ALA 101 -7.597 15.806 -2.576 662 1HB ALA 101 1HB ALA 101 -7.895 15.981 -0.139 663 2HB ALA 101 2HB ALA 101 -9.001 14.762 -0.818 664 3HB ALA 101 3HB ALA 101 -7.530 14.249 0.041 665 H GLY 102 H GLY 102 -5.343 13.340 -1.234 666 1HA GLY 102 1HA GLY 102 -2.995 13.793 -1.877 667 2HA GLY 102 2HA GLY 102 -3.230 15.413 -1.254 668 H ASN 103 H ASN 103 -4.323 12.201 0.037 669 HA ASN 103 HA ASN 103 -2.514 12.594 2.259 670 1HB ASN 103 1HB ASN 103 -5.286 11.644 2.927 671 2HB ASN 103 2HB ASN 103 -4.168 12.597 3.915 672 1HD2 ASN 103 1HD2 ASN 103 -3.552 14.735 2.550 673 2HD2 ASN 103 2HD2 ASN 103 -4.924 15.696 2.110 674 H GLY 104 H GLY 104 -2.153 10.508 3.453 675 1HA GLY 104 1HA GLY 104 -3.236 8.124 2.108 676 2HA GLY 104 2HA GLY 104 -1.503 8.329 2.249 677 HA PRO 105 HA PRO 105 -3.015 7.929 6.702 678 1HB PRO 105 1HB PRO 105 -5.684 7.952 7.290 679 2HB PRO 105 2HB PRO 105 -4.669 9.390 7.361 680 1HG PRO 105 1HG PRO 105 -6.635 8.557 5.325 681 2HG PRO 105 2HG PRO 105 -5.978 10.203 5.643 682 1HD PRO 105 1HD PRO 105 -5.322 8.405 3.514 683 2HD PRO 105 2HD PRO 105 -4.533 9.946 3.875 684 H GLU 106 H GLU 106 -4.745 6.306 4.236 685 HA GLU 106 HA GLU 106 -5.162 4.028 5.929 686 1HB GLU 106 1HB GLU 106 -6.308 5.056 3.530 687 2HB GLU 106 2HB GLU 106 -5.650 3.458 3.140 688 1HG GLU 106 1HG GLU 106 -8.054 3.495 3.985 689 2HG GLU 106 2HG GLU 106 -6.969 2.405 4.862 690 HE2 GLU 106 HE2 GLU 106 -7.294 4.218 7.782 691 H GLY 107 H GLY 107 -4.257 1.878 5.451 692 1HA GLY 107 1HA GLY 107 -2.609 0.924 3.675 693 2HA GLY 107 2HA GLY 107 -1.529 2.103 4.393 694 H VAL 108 H VAL 108 -2.561 -1.105 4.536 695 HA VAL 108 HA VAL 108 -2.315 -1.422 7.387 696 HB VAL 108 HB VAL 108 -3.884 -2.714 5.955 697 1HG1 VAL 108 1HG1 VAL 108 -1.588 -3.138 4.370 698 2HG1 VAL 108 2HG1 VAL 108 -2.008 -4.725 5.062 699 3HG1 VAL 108 3HG1 VAL 108 -3.219 -3.812 4.130 700 1HG2 VAL 108 1HG2 VAL 108 -3.614 -3.730 8.005 701 2HG2 VAL 108 2HG2 VAL 108 -3.057 -5.028 6.924 702 3HG2 VAL 108 3HG2 VAL 108 -1.872 -4.002 7.769 703 H ALA 109 H ALA 109 -0.502 -2.035 8.516 704 HA ALA 109 HA ALA 109 1.996 -1.730 7.272 705 1HB ALA 109 1HB ALA 109 0.953 -2.576 9.962 706 2HB ALA 109 2HB ALA 109 2.667 -2.871 9.579 707 3HB ALA 109 3HB ALA 109 2.015 -1.214 9.530 708 H ILE 110 H ILE 110 2.240 -3.135 5.500 709 HA ILE 110 HA ILE 110 1.728 -5.931 5.825 710 HB ILE 110 HB ILE 110 1.980 -4.126 3.709 711 1HG1 ILE 110 1HG1 ILE 110 1.267 -6.015 2.350 712 2HG1 ILE 110 2HG1 ILE 110 1.699 -7.145 3.644 713 1HG2 ILE 110 1HG2 ILE 110 4.475 -4.735 3.895 714 2HG2 ILE 110 2HG2 ILE 110 3.991 -6.319 3.243 715 3HG2 ILE 110 3HG2 ILE 110 3.693 -4.840 2.300 716 1HD1 ILE 110 1HD1 ILE 110 -0.160 -4.870 4.304 717 2HD1 ILE 110 2HD1 ILE 110 -0.802 -6.226 3.346 718 3HD1 ILE 110 3HD1 ILE 110 -0.116 -6.524 4.962 719 H SER 111 H SER 111 3.270 -7.636 5.905 720 HA SER 111 HA SER 111 5.842 -7.688 5.658 721 1HB SER 111 1HB SER 111 5.242 -5.956 7.998 722 2HB SER 111 2HB SER 111 6.507 -7.168 8.264 723 HG SER 111 HG SER 111 7.291 -5.083 7.443 724 H PHE 112 H PHE 112 4.314 -7.934 8.943 725 HA PHE 112 HA PHE 112 5.163 -10.379 9.622 726 1HB PHE 112 1HB PHE 112 2.669 -8.727 10.028 727 2HB PHE 112 2HB PHE 112 2.584 -10.400 10.592 728 HD1 PHE 112 1HD PHE 112 3.508 -7.101 11.425 729 HD2 PHE 112 2HD PHE 112 4.550 -11.149 12.146 730 HE1 PHE 112 1HE PHE 112 4.667 -6.424 13.547 731 HE2 PHE 112 2HE PHE 112 5.709 -10.474 14.267 732 HZ PHE 112 HZ PHE 112 5.752 -8.121 14.944 733 H ASN 113 H ASN 113 3.618 -12.422 9.928 734 HA ASN 113 HA ASN 113 2.956 -13.181 7.236 735 1HB ASN 113 1HB ASN 113 2.908 -15.454 8.099 736 2HB ASN 113 2HB ASN 113 4.314 -14.656 8.822 737 1HD2 ASN 113 1HD2 ASN 113 1.592 -16.491 9.362 738 2HD2 ASN 113 2HD2 ASN 113 1.404 -16.291 11.071 739 6H NCZ 130 6H NCZ 130 1.452 13.756 0.416 740 6H1 NCZ 130 6H1 NCZ 130 -0.551 11.640 0.462 741 5H1 NCZ 130 5H1 NCZ 130 0.148 12.550 2.844 742 4H1 NCZ 130 4H1 NCZ 130 2.691 11.538 3.175 743 5H NCZ 130 5H NCZ 130 4.018 11.405 -0.206 744 3H1 NCZ 130 3H1 NCZ 130 2.982 9.976 1.323 745 2H1 NCZ 130 2H1 NCZ 130 1.615 11.345 -0.775 746 2H NCZ 130 2H NCZ 130 -0.029 8.332 -3.782 747 8H NCZ 130 8H NCZ 130 -0.909 5.253 -3.515 748 7H NCZ 130 7H NCZ 130 -1.563 4.072 -1.445 749 3H NCZ 130 3H NCZ 130 -0.704 4.725 3.132 750 1H17 NCZ 130 1H17 NCZ 130 1.431 8.213 4.981 751 2H17 NCZ 130 2H17 NCZ 130 2.027 8.439 3.321 752 3H17 NCZ 130 3H17 NCZ 130 0.348 8.862 3.728 753 1H18 NCZ 130 1H18 NCZ 130 -1.551 3.025 0.053 754 2H18 NCZ 130 2H18 NCZ 130 -1.390 2.913 1.821 755 3H18 NCZ 130 3H18 NCZ 130 -2.740 3.827 1.106 756 1H NCZ 130 1H NCZ 130 1.261 7.983 1.260 Start of MODEL 43 1 H ALA 1 H ALA 1 -14.278 -3.912 14.459 2 HA ALA 1 HA ALA 1 -13.100 -2.648 15.851 3 1HB ALA 1 1HB ALA 1 -11.230 -4.998 15.577 4 2HB ALA 1 2HB ALA 1 -10.682 -3.528 16.419 5 3HB ALA 1 3HB ALA 1 -12.108 -4.412 17.012 6 H ALA 2 H ALA 2 -13.358 -1.351 13.724 7 HA ALA 2 HA ALA 2 -12.527 -0.027 12.146 8 1HB ALA 2 1HB ALA 2 -11.691 1.199 14.026 9 2HB ALA 2 2HB ALA 2 -10.335 0.066 14.249 10 3HB ALA 2 3HB ALA 2 -10.370 1.147 12.836 11 HA PRO 3 HA PRO 3 -9.904 -3.301 10.369 12 1HB PRO 3 1HB PRO 3 -11.635 -4.201 8.458 13 2HB PRO 3 2HB PRO 3 -11.452 -4.971 10.032 14 1HG PRO 3 1HG PRO 3 -13.585 -3.198 9.022 15 2HG PRO 3 2HG PRO 3 -13.641 -4.344 10.411 16 1HD PRO 3 1HD PRO 3 -13.426 -1.488 10.463 17 2HD PRO 3 2HD PRO 3 -13.316 -2.579 11.850 18 H THR 4 H THR 4 -12.202 -1.776 8.155 19 HA THR 4 HA THR 4 -11.859 -0.572 6.317 20 HB THR 4 HB THR 4 -10.558 1.366 6.665 21 HG1 THR 4 1HG THR 4 -8.417 1.073 7.252 22 1HG2 THR 4 1HG2 THR 4 -11.907 0.757 8.831 23 2HG2 THR 4 2HG2 THR 4 -10.335 0.254 9.495 24 3HG2 THR 4 3HG2 THR 4 -10.589 1.942 8.990 25 H ALA 5 H ALA 5 -9.686 0.211 4.799 26 HA ALA 5 HA ALA 5 -9.150 -2.097 3.377 27 1HB ALA 5 1HB ALA 5 -8.762 -0.305 2.040 28 2HB ALA 5 2HB ALA 5 -8.294 0.736 3.404 29 3HB ALA 5 3HB ALA 5 -7.107 -0.383 2.693 30 H THR 6 H THR 6 -8.179 -3.865 4.278 31 HA THR 6 HA THR 6 -5.487 -3.457 5.335 32 HB THR 6 HB THR 6 -6.291 -5.241 7.148 33 HG1 THR 6 1HG THR 6 -8.645 -4.556 7.563 34 1HG2 THR 6 1HG2 THR 6 -5.615 -2.914 7.773 35 2HG2 THR 6 2HG2 THR 6 -7.213 -2.317 7.262 36 3HG2 THR 6 3HG2 THR 6 -7.076 -3.410 8.660 37 H VAL 7 H VAL 7 -4.090 -5.255 5.105 38 HA VAL 7 HA VAL 7 -4.860 -6.917 2.892 39 HB VAL 7 HB VAL 7 -2.367 -6.352 4.451 40 1HG1 VAL 7 1HG1 VAL 7 -2.700 -8.658 2.500 41 2HG1 VAL 7 2HG1 VAL 7 -1.157 -8.079 3.172 42 3HG1 VAL 7 3HG1 VAL 7 -2.385 -8.791 4.247 43 1HG2 VAL 7 1HG2 VAL 7 -3.128 -6.229 1.516 44 2HG2 VAL 7 2HG2 VAL 7 -2.865 -4.863 2.625 45 3HG2 VAL 7 3HG2 VAL 7 -1.498 -5.896 2.148 46 H THR 8 H THR 8 -5.664 -8.956 2.995 47 HA THR 8 HA THR 8 -6.780 -10.127 5.075 48 HB THR 8 HB THR 8 -5.323 -11.164 2.649 49 HG1 THR 8 1HG THR 8 -7.681 -12.055 2.627 50 1HG2 THR 8 1HG2 THR 8 -4.962 -12.866 4.580 51 2HG2 THR 8 2HG2 THR 8 -6.735 -13.020 4.620 52 3HG2 THR 8 3HG2 THR 8 -5.838 -13.467 3.150 53 HA PRO 9 HA PRO 9 -2.980 -12.161 6.836 54 1HB PRO 9 1HB PRO 9 -0.599 -12.194 5.498 55 2HB PRO 9 2HB PRO 9 -1.786 -13.492 5.385 56 1HG PRO 9 1HG PRO 9 -1.138 -11.342 3.471 57 2HG PRO 9 2HG PRO 9 -1.976 -12.906 3.162 58 1HD PRO 9 1HD PRO 9 -3.112 -10.283 3.347 59 2HD PRO 9 2HD PRO 9 -3.995 -11.807 3.201 60 H SER 10 H SER 10 -0.308 -11.577 7.327 61 HA SER 10 HA SER 10 -0.468 -8.700 7.725 62 1HB SER 10 1HB SER 10 0.517 -9.011 10.000 63 2HB SER 10 2HB SER 10 -1.110 -9.705 9.853 64 HG SER 10 HG SER 10 1.415 -11.126 9.740 65 H SER 11 H SER 11 1.546 -11.708 7.753 66 HA SER 11 HA SER 11 3.973 -10.312 7.673 67 1HB SER 11 1HB SER 11 3.072 -13.147 7.278 68 2HB SER 11 2HB SER 11 4.698 -12.717 6.714 69 HG SER 11 HG SER 11 5.098 -13.254 8.794 70 H GLY 12 H GLY 12 2.935 -8.799 5.871 71 1HA GLY 12 1HA GLY 12 2.600 -9.667 3.248 72 2HA GLY 12 2HA GLY 12 3.035 -8.046 3.757 73 H LEU 13 H LEU 13 5.469 -9.618 5.186 74 HA LEU 13 HA LEU 13 7.322 -8.966 3.152 75 1HB LEU 13 1HB LEU 13 8.967 -9.892 4.717 76 2HB LEU 13 2HB LEU 13 7.906 -8.669 5.437 77 HG LEU 13 HG LEU 13 6.571 -10.897 6.148 78 1HD1 LEU 13 1HD1 LEU 13 8.867 -12.226 6.990 79 2HD1 LEU 13 2HD1 LEU 13 7.725 -12.752 5.729 80 3HD1 LEU 13 3HD1 LEU 13 9.183 -11.834 5.283 81 1HD2 LEU 13 1HD2 LEU 13 8.917 -10.167 7.855 82 2HD2 LEU 13 2HD2 LEU 13 7.704 -8.921 7.477 83 3HD2 LEU 13 3HD2 LEU 13 7.210 -10.423 8.295 84 H SER 14 H SER 14 5.830 -10.445 1.631 85 HA SER 14 HA SER 14 7.268 -12.973 1.515 86 1HB SER 14 1HB SER 14 4.567 -12.745 2.138 87 2HB SER 14 2HB SER 14 4.541 -13.090 0.400 88 HG SER 14 HG SER 14 4.512 -15.030 1.716 89 H ASP 15 H ASP 15 8.308 -13.215 -0.436 90 HA ASP 15 HA ASP 15 8.650 -11.438 -2.278 91 1HB ASP 15 1HB ASP 15 8.320 -14.422 -2.503 92 2HB ASP 15 2HB ASP 15 8.561 -13.502 -3.996 93 HD2 ASP 15 HD2 ASP 15 11.896 -14.058 -3.357 94 H GLY 16 H GLY 16 6.853 -10.059 -2.799 95 1HA GLY 16 1HA GLY 16 4.880 -9.426 -3.693 96 2HA GLY 16 2HA GLY 16 5.313 -10.531 -4.981 97 H THR 17 H THR 17 3.894 -10.547 -1.636 98 HA THR 17 HA THR 17 2.522 -13.022 -2.160 99 HB THR 17 HB THR 17 3.411 -11.520 0.091 100 HG1 THR 17 1HG THR 17 2.551 -13.522 1.074 101 1HG2 THR 17 1HG2 THR 17 1.219 -10.358 0.207 102 2HG2 THR 17 2HG2 THR 17 0.373 -11.911 0.022 103 3HG2 THR 17 3HG2 THR 17 1.319 -11.583 1.493 104 H VAL 18 H VAL 18 0.581 -13.316 -3.057 105 HA VAL 18 HA VAL 18 -0.930 -10.922 -3.710 106 HB VAL 18 HB VAL 18 -1.804 -13.638 -4.534 107 1HG1 VAL 18 1HG1 VAL 18 -1.642 -12.037 -6.767 108 2HG1 VAL 18 2HG1 VAL 18 -3.080 -12.223 -5.730 109 3HG1 VAL 18 3HG1 VAL 18 -1.968 -10.855 -5.476 110 1HG2 VAL 18 1HG2 VAL 18 0.878 -12.485 -5.184 111 2HG2 VAL 18 2HG2 VAL 18 0.372 -14.183 -5.003 112 3HG2 VAL 18 3HG2 VAL 18 -0.029 -13.286 -6.489 113 H VAL 19 H VAL 19 -2.506 -10.214 -2.378 114 HA VAL 19 HA VAL 19 -4.126 -12.228 -1.026 115 HB VAL 19 HB VAL 19 -4.022 -10.765 1.038 116 1HG1 VAL 19 1HG1 VAL 19 -2.960 -12.719 1.487 117 2HG1 VAL 19 2HG1 VAL 19 -1.947 -12.634 0.027 118 3HG1 VAL 19 3HG1 VAL 19 -1.514 -11.683 1.468 119 1HG2 VAL 19 1HG2 VAL 19 -1.632 -9.629 1.142 120 2HG2 VAL 19 2HG2 VAL 19 -1.867 -9.500 -0.617 121 3HG2 VAL 19 3HG2 VAL 19 -3.042 -8.755 0.493 122 H LYS 20 H LYS 20 -5.918 -10.702 0.296 123 HA LYS 20 HA LYS 20 -6.878 -8.851 -1.774 124 1HB LYS 20 1HB LYS 20 -9.142 -9.520 -1.189 125 2HB LYS 20 2HB LYS 20 -8.190 -10.911 -1.736 126 1HG LYS 20 1HG LYS 20 -7.917 -11.713 0.511 127 2HG LYS 20 2HG LYS 20 -8.518 -10.200 1.208 128 1HD LYS 20 1HD LYS 20 -10.754 -10.642 0.287 129 2HD LYS 20 2HD LYS 20 -10.171 -12.117 -0.501 130 1HE LYS 20 1HE LYS 20 -10.075 -13.297 1.487 131 2HE LYS 20 2HE LYS 20 -9.723 -11.860 2.461 132 1HZ LYS 20 1HZ LYS 20 -12.128 -13.069 2.178 133 2HZ LYS 20 2HZ LYS 20 -11.870 -11.589 2.821 134 3HZ LYS 20 3HZ LYS 20 -12.269 -11.735 1.244 135 H VAL 21 H VAL 21 -7.323 -6.787 -1.145 136 HA VAL 21 HA VAL 21 -6.963 -6.235 1.706 137 HB VAL 21 HB VAL 21 -6.747 -4.534 -0.781 138 1HG1 VAL 21 1HG1 VAL 21 -7.382 -2.828 0.548 139 2HG1 VAL 21 2HG1 VAL 21 -7.133 -3.761 2.042 140 3HG1 VAL 21 3HG1 VAL 21 -5.748 -2.981 1.239 141 1HG2 VAL 21 1HG2 VAL 21 -4.544 -4.923 -0.708 142 2HG2 VAL 21 2HG2 VAL 21 -4.470 -4.600 1.039 143 3HG2 VAL 21 3HG2 VAL 21 -4.904 -6.224 0.453 144 H ALA 22 H ALA 22 -8.906 -6.429 2.745 145 HA ALA 22 HA ALA 22 -11.304 -5.533 1.387 146 1HB ALA 22 1HB ALA 22 -11.543 -6.358 4.192 147 2HB ALA 22 2HB ALA 22 -12.326 -7.025 2.738 148 3HB ALA 22 3HB ALA 22 -10.693 -7.565 3.196 149 H GLY 23 H GLY 23 -12.157 -3.524 1.617 150 1HA GLY 23 1HA GLY 23 -11.070 -1.848 3.793 151 2HA GLY 23 2HA GLY 23 -11.622 -1.268 2.233 152 H ALA 24 H ALA 24 -12.835 -3.183 5.077 153 HA ALA 24 HA ALA 24 -15.546 -2.497 4.511 154 1HB ALA 24 1HB ALA 24 -15.888 -4.233 5.894 155 2HB ALA 24 2HB ALA 24 -14.124 -4.373 6.086 156 3HB ALA 24 3HB ALA 24 -15.068 -3.386 7.228 157 H GLY 25 H GLY 25 -16.738 -0.780 5.243 158 1HA GLY 25 1HA GLY 25 -17.286 1.078 6.400 159 2HA GLY 25 2HA GLY 25 -16.074 0.670 7.598 160 H LEU 26 H LEU 26 -14.960 0.770 4.278 161 HA LEU 26 HA LEU 26 -13.226 2.945 4.904 162 1HB LEU 26 1HB LEU 26 -12.790 0.873 3.477 163 2HB LEU 26 2HB LEU 26 -13.648 1.732 2.185 164 HG LEU 26 HG LEU 26 -11.831 3.612 2.975 165 1HD1 LEU 26 1HD1 LEU 26 -10.799 1.986 4.554 166 2HD1 LEU 26 2HD1 LEU 26 -10.368 0.966 3.160 167 3HD1 LEU 26 3HD1 LEU 26 -9.678 2.599 3.314 168 1HD2 LEU 26 1HD2 LEU 26 -10.638 3.100 0.936 169 2HD2 LEU 26 2HD2 LEU 26 -11.340 1.464 0.893 170 3HD2 LEU 26 3HD2 LEU 26 -12.387 2.889 0.676 171 H GLN 27 H GLN 27 -13.460 3.913 1.978 172 HA GLN 27 HA GLN 27 -15.430 5.909 2.627 173 1HB GLN 27 1HB GLN 27 -13.045 5.710 0.899 174 2HB GLN 27 2HB GLN 27 -14.379 6.615 0.161 175 1HG GLN 27 1HG GLN 27 -13.482 7.149 3.010 176 2HG GLN 27 2HG GLN 27 -12.658 7.912 1.640 177 1HE2 GLN 27 1HE2 GLN 27 -13.755 9.373 0.337 178 2HE2 GLN 27 2HE2 GLN 27 -15.212 10.168 0.831 179 H ALA 28 H ALA 28 -17.306 4.439 2.394 180 HA ALA 28 HA ALA 28 -17.863 3.054 0.048 181 1HB ALA 28 1HB ALA 28 -19.931 4.316 1.873 182 2HB ALA 28 2HB ALA 28 -20.032 2.784 0.975 183 3HB ALA 28 3HB ALA 28 -18.949 2.921 2.381 184 H GLY 29 H GLY 29 -18.711 3.630 -1.924 185 1HA GLY 29 1HA GLY 29 -19.881 4.948 -3.410 186 2HA GLY 29 2HA GLY 29 -19.933 6.256 -2.243 187 H THR 30 H THR 30 -16.943 5.915 -1.655 188 HA THR 30 HA THR 30 -16.056 7.557 -3.891 189 HB THR 30 HB THR 30 -14.123 7.129 -1.743 190 HG1 THR 30 1HG THR 30 -15.786 8.153 -0.177 191 1HG2 THR 30 1HG2 THR 30 -15.302 9.304 -3.234 192 2HG2 THR 30 2HG2 THR 30 -15.557 9.629 -1.503 193 3HG2 THR 30 3HG2 THR 30 -13.910 9.370 -2.126 194 H ALA 31 H ALA 31 -13.463 7.185 -4.220 195 HA ALA 31 HA ALA 31 -12.860 4.374 -4.401 196 1HB ALA 31 1HB ALA 31 -14.300 5.347 -6.480 197 2HB ALA 31 2HB ALA 31 -12.661 5.794 -7.016 198 3HB ALA 31 3HB ALA 31 -13.050 4.093 -6.664 199 H TYR 32 H TYR 32 -10.601 4.010 -4.680 200 HA TYR 32 HA TYR 32 -8.920 6.340 -5.088 201 1HB TYR 32 1HB TYR 32 -9.095 4.553 -2.594 202 2HB TYR 32 2HB TYR 32 -7.694 5.583 -2.906 203 HD1 TYR 32 1HD TYR 32 -9.205 7.992 -4.005 204 HD2 TYR 32 2HD TYR 32 -9.888 5.517 -0.584 205 HE1 TYR 32 1HE TYR 32 -10.388 9.917 -2.840 206 HE2 TYR 32 2HE TYR 32 -11.069 7.450 0.570 207 HH TYR 32 HH TYR 32 -11.330 9.684 0.520 208 H ASP 33 H ASP 33 -6.465 5.485 -4.738 209 HA ASP 33 HA ASP 33 -6.396 3.045 -6.314 210 1HB ASP 33 1HB ASP 33 -5.322 5.286 -7.068 211 2HB ASP 33 2HB ASP 33 -4.086 4.968 -5.843 212 HD2 ASP 33 HD2 ASP 33 -4.147 2.296 -8.785 213 H VAL 34 H VAL 34 -5.757 1.198 -5.192 214 HA VAL 34 HA VAL 34 -4.629 1.492 -2.562 215 HB VAL 34 HB VAL 34 -5.864 -0.623 -4.218 216 1HG1 VAL 34 1HG1 VAL 34 -4.050 -1.988 -3.897 217 2HG1 VAL 34 2HG1 VAL 34 -3.539 -1.153 -2.411 218 3HG1 VAL 34 3HG1 VAL 34 -4.914 -2.284 -2.370 219 1HG2 VAL 34 1HG2 VAL 34 -7.319 0.192 -2.622 220 2HG2 VAL 34 2HG2 VAL 34 -6.633 -1.210 -1.765 221 3HG2 VAL 34 3HG2 VAL 34 -6.035 0.429 -1.412 222 H GLY 35 H GLY 35 -2.562 0.733 -1.883 223 1HA GLY 35 1HA GLY 35 -0.692 -0.512 -3.545 224 2HA GLY 35 2HA GLY 35 -0.465 1.218 -3.699 225 H GLN 36 H GLN 36 1.527 -0.456 -2.570 226 HA GLN 36 HA GLN 36 1.247 -0.084 0.282 227 1HB GLN 36 1HB GLN 36 3.700 -1.222 -0.020 228 2HB GLN 36 2HB GLN 36 2.198 -2.155 0.092 229 1HG GLN 36 1HG GLN 36 2.103 -2.494 -2.245 230 2HG GLN 36 2HG GLN 36 3.199 -1.147 -2.589 231 1HE2 GLN 36 1HE2 GLN 36 4.685 -2.251 -3.737 232 2HE2 GLN 36 2HE2 GLN 36 5.716 -3.491 -3.100 233 H CYS 37 H CYS 37 1.453 2.200 0.499 234 HA CYS 37 HA CYS 37 3.987 3.296 -0.460 235 1HB CYS 37 1HB CYS 37 1.727 4.322 -1.088 236 2HB CYS 37 2HB CYS 37 1.662 4.905 0.578 237 H ALA 38 H ALA 38 5.247 4.626 1.081 238 HA ALA 38 HA ALA 38 4.561 4.943 3.752 239 1HB ALA 38 1HB ALA 38 6.103 3.206 4.744 240 2HB ALA 38 2HB ALA 38 4.637 2.540 3.988 241 3HB ALA 38 3HB ALA 38 6.196 2.454 3.135 242 H TRP 39 H TRP 39 6.656 5.490 5.081 243 HA TRP 39 HA TRP 39 8.259 7.143 3.329 244 1HB TRP 39 1HB TRP 39 9.233 7.764 5.671 245 2HB TRP 39 2HB TRP 39 7.674 8.390 5.131 246 HD1 TRP 39 HD TRP 39 8.827 5.240 7.166 247 HE1 TRP 39 1HE TRP 39 7.193 4.811 9.194 248 HE3 TRP 39 3HE TRP 39 5.702 9.116 6.145 249 HZ2 TRP 39 2HZ TRP 39 4.829 6.114 10.122 250 HZ3 TRP 39 3HZ TRP 39 3.754 9.470 7.661 251 HH2 TRP 39 HH TRP 39 3.295 8.043 9.593 252 H VAL 40 H VAL 40 10.074 6.299 2.404 253 HA VAL 40 HA VAL 40 11.366 4.066 3.797 254 HB VAL 40 HB VAL 40 10.463 4.084 1.323 255 1HG1 VAL 40 1HG1 VAL 40 11.635 6.038 0.527 256 2HG1 VAL 40 2HG1 VAL 40 13.200 5.371 1.051 257 3HG1 VAL 40 3HG1 VAL 40 12.309 4.604 -0.286 258 1HG2 VAL 40 1HG2 VAL 40 11.374 2.068 1.750 259 2HG2 VAL 40 2HG2 VAL 40 12.778 2.696 0.856 260 3HG2 VAL 40 3HG2 VAL 40 12.751 2.763 2.634 261 H ASP 41 H ASP 41 12.042 7.180 2.065 262 HA ASP 41 HA ASP 41 14.721 7.135 3.044 263 1HB ASP 41 1HB ASP 41 13.229 8.480 0.994 264 2HB ASP 41 2HB ASP 41 13.943 9.728 2.028 265 HD2 ASP 41 HD2 ASP 41 16.969 9.328 0.512 266 H THR 42 H THR 42 15.317 9.710 3.817 267 HA THR 42 HA THR 42 14.483 9.910 6.419 268 HB THR 42 HB THR 42 15.489 12.003 4.426 269 HG1 THR 42 1HG THR 42 17.254 10.745 4.874 270 1HG2 THR 42 1HG2 THR 42 16.064 13.407 6.275 271 2HG2 THR 42 2HG2 THR 42 14.394 12.907 6.639 272 3HG2 THR 42 3HG2 THR 42 15.762 12.113 7.459 273 H GLY 43 H GLY 43 12.296 9.627 6.798 274 1HA GLY 43 1HA GLY 43 10.121 10.191 6.937 275 2HA GLY 43 2HA GLY 43 10.698 11.845 6.996 276 H VAL 44 H VAL 44 11.504 9.984 4.121 277 HA VAL 44 HA VAL 44 9.720 11.700 2.594 278 HB VAL 44 HB VAL 44 11.958 9.829 1.790 279 1HG1 VAL 44 1HG1 VAL 44 10.209 10.097 0.036 280 2HG1 VAL 44 2HG1 VAL 44 10.478 11.857 0.083 281 3HG1 VAL 44 3HG1 VAL 44 11.790 10.770 -0.434 282 1HG2 VAL 44 1HG2 VAL 44 13.161 11.531 2.698 283 2HG2 VAL 44 2HG2 VAL 44 12.832 12.293 1.124 284 3HG2 VAL 44 3HG2 VAL 44 11.833 12.705 2.538 285 H LEU 45 H LEU 45 7.686 10.986 2.239 286 HA LEU 45 HA LEU 45 7.092 8.197 2.465 287 1HB LEU 45 1HB LEU 45 5.710 10.696 2.553 288 2HB LEU 45 2HB LEU 45 4.898 9.618 1.402 289 HG LEU 45 HG LEU 45 5.626 8.617 4.137 290 1HD1 LEU 45 1HD1 LEU 45 4.359 10.931 4.128 291 2HD1 LEU 45 2HD1 LEU 45 2.954 9.904 3.746 292 3HD1 LEU 45 3HD1 LEU 45 3.886 9.620 5.237 293 1HD2 LEU 45 1HD2 LEU 45 3.499 7.964 2.093 294 2HD2 LEU 45 2HD2 LEU 45 4.825 6.935 2.683 295 3HD2 LEU 45 3HD2 LEU 45 3.468 7.344 3.761 296 H ALA 46 H ALA 46 7.840 6.875 0.868 297 HA ALA 46 HA ALA 46 7.338 7.778 -1.885 298 1HB ALA 46 1HB ALA 46 9.284 6.550 -2.551 299 2HB ALA 46 2HB ALA 46 9.757 7.502 -1.123 300 3HB ALA 46 3HB ALA 46 9.416 5.761 -0.961 301 H CYS 47 H CYS 47 6.314 6.331 -3.315 302 HA CYS 47 HA CYS 47 5.098 4.050 -1.949 303 1HB CYS 47 1HB CYS 47 4.087 5.220 -4.517 304 2HB CYS 47 2HB CYS 47 3.226 4.252 -3.319 305 H ASN 48 H ASN 48 5.081 1.986 -3.072 306 HA ASN 48 HA ASN 48 7.391 1.643 -4.680 307 1HB ASN 48 1HB ASN 48 5.310 -0.519 -4.402 308 2HB ASN 48 2HB ASN 48 7.072 -0.654 -4.294 309 1HD2 ASN 48 1HD2 ASN 48 7.538 1.449 -2.496 310 2HD2 ASN 48 2HD2 ASN 48 6.941 1.013 -0.929 311 HA PRO 49 HA PRO 49 5.364 1.382 -8.569 312 1HB PRO 49 1HB PRO 49 6.383 -0.832 -9.801 313 2HB PRO 49 2HB PRO 49 7.252 0.697 -9.696 314 1HG PRO 49 1HG PRO 49 7.619 -1.802 -8.173 315 2HG PRO 49 2HG PRO 49 8.781 -0.447 -8.405 316 1HD PRO 49 1HD PRO 49 7.225 -1.082 -6.084 317 2HD PRO 49 2HD PRO 49 8.236 0.352 -6.319 318 H ALA 50 H ALA 50 4.871 -1.166 -6.409 319 HA ALA 50 HA ALA 50 2.657 -2.163 -8.041 320 1HB ALA 50 1HB ALA 50 3.339 -3.440 -5.443 321 2HB ALA 50 2HB ALA 50 2.992 -4.176 -7.026 322 3HB ALA 50 3HB ALA 50 4.606 -3.506 -6.691 323 H ASP 51 H ASP 51 2.980 0.463 -6.329 324 HA ASP 51 HA ASP 51 0.949 -0.015 -4.356 325 1HB ASP 51 1HB ASP 51 2.561 1.481 -3.559 326 2HB ASP 51 2HB ASP 51 2.758 2.276 -5.125 327 HD2 ASP 51 HD2 ASP 51 0.344 4.621 -4.394 328 H PHE 52 H PHE 52 0.665 -0.016 -7.507 329 HA PHE 52 HA PHE 52 -1.403 2.058 -7.680 330 1HB PHE 52 1HB PHE 52 0.169 0.453 -9.778 331 2HB PHE 52 2HB PHE 52 -1.013 1.707 -10.172 332 HD1 PHE 52 1HD PHE 52 -0.245 3.854 -10.551 333 HD2 PHE 52 2HD PHE 52 2.138 1.220 -8.229 334 HE1 PHE 52 1HE PHE 52 1.582 5.573 -10.475 335 HE2 PHE 52 2HE PHE 52 3.963 2.940 -8.151 336 HZ PHE 52 HZ PHE 52 3.663 5.097 -9.274 337 H SER 53 H SER 53 -3.315 1.111 -7.033 338 HA SER 53 HA SER 53 -4.191 -1.086 -8.668 339 1HB SER 53 1HB SER 53 -3.409 -2.431 -6.918 340 2HB SER 53 2HB SER 53 -3.829 -1.245 -5.670 341 HG SER 53 HG SER 53 -5.331 -3.313 -6.749 342 H SER 54 H SER 54 -5.513 0.724 -9.515 343 HA SER 54 HA SER 54 -7.102 2.310 -7.956 344 1HB SER 54 1HB SER 54 -8.432 2.678 -10.001 345 2HB SER 54 2HB SER 54 -6.697 2.686 -10.365 346 HG SER 54 HG SER 54 -8.723 0.835 -11.094 347 H VAL 55 H VAL 55 -8.957 1.964 -6.769 348 HA VAL 55 HA VAL 55 -10.751 -0.158 -7.514 349 HB VAL 55 HB VAL 55 -8.942 -1.252 -6.169 350 1HG1 VAL 55 1HG1 VAL 55 -8.191 -0.245 -4.327 351 2HG1 VAL 55 2HG1 VAL 55 -9.488 0.970 -4.409 352 3HG1 VAL 55 3HG1 VAL 55 -9.760 -0.567 -3.554 353 1HG2 VAL 55 1HG2 VAL 55 -10.437 -2.750 -5.366 354 2HG2 VAL 55 2HG2 VAL 55 -11.358 -1.517 -4.469 355 3HG2 VAL 55 3HG2 VAL 55 -11.614 -1.725 -6.217 356 H THR 56 H THR 56 -12.632 -0.185 -5.766 357 HA THR 56 HA THR 56 -12.976 2.487 -4.625 358 HB THR 56 HB THR 56 -13.961 1.995 -7.115 359 HG1 THR 56 1HG THR 56 -15.681 3.560 -6.277 360 1HG2 THR 56 1HG2 THR 56 -15.437 0.120 -5.823 361 2HG2 THR 56 2HG2 THR 56 -16.423 1.552 -5.433 362 3HG2 THR 56 3HG2 THR 56 -16.124 1.111 -7.132 363 H ALA 57 H ALA 57 -15.048 2.545 -3.247 364 HA ALA 57 HA ALA 57 -15.115 0.002 -1.785 365 1HB ALA 57 1HB ALA 57 -15.060 2.867 -1.045 366 2HB ALA 57 2HB ALA 57 -16.243 1.892 -0.138 367 3HB ALA 57 3HB ALA 57 -14.521 1.438 -0.131 368 H ASP 58 H ASP 58 -16.994 -1.155 -1.693 369 HA ASP 58 HA ASP 58 -19.084 -0.433 -3.368 370 1HB ASP 58 1HB ASP 58 -19.582 -2.304 -1.078 371 2HB ASP 58 2HB ASP 58 -20.003 -2.495 -2.787 372 HD2 ASP 58 HD2 ASP 58 -17.239 -4.717 -1.780 373 H ALA 59 H ALA 59 -21.381 0.042 -2.703 374 HA ALA 59 HA ALA 59 -21.728 2.160 -1.104 375 1HB ALA 59 1HB ALA 59 -23.406 0.017 -2.215 376 2HB ALA 59 2HB ALA 59 -24.091 0.742 -0.740 377 3HB ALA 59 3HB ALA 59 -23.699 1.771 -2.137 378 H ASN 60 H ASN 60 -21.267 -1.212 -0.101 379 HA ASN 60 HA ASN 60 -22.078 -0.618 2.579 380 1HB ASN 60 1HB ASN 60 -21.740 -2.957 0.980 381 2HB ASN 60 2HB ASN 60 -20.579 -3.111 2.306 382 1HD2 ASN 60 1HD2 ASN 60 -21.791 -4.858 3.100 383 2HD2 ASN 60 2HD2 ASN 60 -23.252 -4.633 4.002 384 H GLY 61 H GLY 61 -19.856 0.967 1.435 385 1HA GLY 61 1HA GLY 61 -17.673 1.499 1.741 386 2HA GLY 61 2HA GLY 61 -18.081 1.216 3.422 387 H SER 62 H SER 62 -17.850 -1.160 0.697 388 HA SER 62 HA SER 62 -15.756 -2.461 2.259 389 1HB SER 62 1HB SER 62 -17.012 -4.213 0.310 390 2HB SER 62 2HB SER 62 -16.882 -4.413 2.067 391 HG SER 62 HG SER 62 -18.870 -2.818 0.685 392 H ALA 63 H ALA 63 -13.812 -1.938 1.299 393 HA ALA 63 HA ALA 63 -13.752 -1.880 -1.634 394 1HB ALA 63 1HB ALA 63 -11.437 -0.736 -0.975 395 2HB ALA 63 2HB ALA 63 -12.956 0.188 -0.970 396 3HB ALA 63 3HB ALA 63 -12.290 -0.439 0.557 397 H SER 64 H SER 64 -13.708 -4.237 -1.772 398 HA SER 64 HA SER 64 -11.406 -5.478 -0.561 399 1HB SER 64 1HB SER 64 -12.394 -7.581 -1.497 400 2HB SER 64 2HB SER 64 -13.505 -6.703 -0.430 401 HG SER 64 HG SER 64 -13.575 -6.179 -3.240 402 H THR 65 H THR 65 -9.664 -4.538 -1.779 403 HA THR 65 HA THR 65 -9.687 -5.192 -4.650 404 HB THR 65 HB THR 65 -9.467 -2.734 -3.656 405 HG1 THR 65 1HG THR 65 -8.916 -3.878 -5.869 406 1HG2 THR 65 1HG2 THR 65 -7.001 -2.154 -3.469 407 2HG2 THR 65 2HG2 THR 65 -7.599 -3.116 -2.096 408 3HG2 THR 65 3HG2 THR 65 -6.646 -3.898 -3.381 409 H SER 66 H SER 66 -8.396 -6.751 -5.394 410 HA SER 66 HA SER 66 -6.610 -7.947 -3.487 411 1HB SER 66 1HB SER 66 -6.470 -9.788 -5.036 412 2HB SER 66 2HB SER 66 -8.172 -9.299 -4.949 413 HG SER 66 HG SER 66 -6.447 -9.347 -7.110 414 H LEU 67 H LEU 67 -4.352 -7.880 -3.602 415 HA LEU 67 HA LEU 67 -3.081 -6.969 -6.016 416 1HB LEU 67 1HB LEU 67 -3.910 -5.002 -4.376 417 2HB LEU 67 2HB LEU 67 -2.313 -5.332 -3.681 418 HG LEU 67 HG LEU 67 -2.547 -3.496 -5.469 419 1HD1 LEU 67 1HD1 LEU 67 -0.330 -3.624 -5.585 420 2HD1 LEU 67 2HD1 LEU 67 -0.453 -5.178 -4.725 421 3HD1 LEU 67 3HD1 LEU 67 -0.393 -5.149 -6.504 422 1HD2 LEU 67 1HD2 LEU 67 -2.335 -5.782 -7.421 423 2HD2 LEU 67 2HD2 LEU 67 -3.904 -5.069 -6.977 424 3HD2 LEU 67 3HD2 LEU 67 -2.651 -4.059 -7.734 425 H THR 68 H THR 68 -0.592 -6.921 -5.625 426 HA THR 68 HA THR 68 0.010 -9.177 -3.834 427 HB THR 68 HB THR 68 1.466 -8.167 -6.333 428 HG1 THR 68 1HG THR 68 -0.534 -9.086 -6.950 429 1HG2 THR 68 1HG2 THR 68 2.001 -10.278 -4.317 430 2HG2 THR 68 2HG2 THR 68 1.924 -10.900 -5.984 431 3HG2 THR 68 3HG2 THR 68 3.082 -9.613 -5.563 432 H VAL 69 H VAL 69 1.667 -9.080 -2.348 433 HA VAL 69 HA VAL 69 2.478 -6.374 -1.696 434 HB VAL 69 HB VAL 69 2.932 -8.984 -0.241 435 1HG1 VAL 69 1HG1 VAL 69 3.318 -7.554 1.725 436 2HG1 VAL 69 2HG1 VAL 69 4.489 -7.216 0.427 437 3HG1 VAL 69 3HG1 VAL 69 3.127 -6.105 0.709 438 1HG2 VAL 69 1HG2 VAL 69 0.548 -8.620 -0.481 439 2HG2 VAL 69 2HG2 VAL 69 1.030 -8.265 1.196 440 3HG2 VAL 69 3HG2 VAL 69 0.715 -6.933 0.059 441 H ARG 70 H ARG 70 3.874 -6.065 -3.587 442 HA ARG 70 HA ARG 70 6.149 -7.801 -3.719 443 1HB ARG 70 1HB ARG 70 5.313 -5.341 -5.319 444 2HB ARG 70 2HB ARG 70 6.790 -6.258 -5.658 445 1HG ARG 70 1HG ARG 70 4.277 -7.850 -5.440 446 2HG ARG 70 2HG ARG 70 4.372 -6.763 -6.838 447 1HD ARG 70 1HD ARG 70 6.699 -7.786 -7.270 448 2HD ARG 70 2HD ARG 70 6.272 -9.025 -6.079 449 HE ARG 70 HE ARG 70 4.157 -8.776 -8.003 450 1HH1 ARG 70 1HH1 ARG 70 7.455 -9.973 -7.731 451 2HH1 ARG 70 2HH1 ARG 70 7.263 -11.159 -8.978 452 1HH2 ARG 70 1HH2 ARG 70 3.903 -10.341 -9.649 453 2HH2 ARG 70 2HH2 ARG 70 5.230 -11.371 -10.077 454 H ARG 71 H ARG 71 6.581 -6.982 -1.327 455 HA ARG 71 HA ARG 71 7.278 -4.513 -0.649 456 1HB ARG 71 1HB ARG 71 7.375 -6.693 0.722 457 2HB ARG 71 2HB ARG 71 9.023 -6.903 0.102 458 1HG ARG 71 1HG ARG 71 9.754 -4.861 1.146 459 2HG ARG 71 2HG ARG 71 8.093 -4.375 1.532 460 1HD ARG 71 1HD ARG 71 9.333 -5.279 3.510 461 2HD ARG 71 2HD ARG 71 7.891 -6.234 3.132 462 HE ARG 71 HE ARG 71 9.903 -7.498 1.711 463 1HH1 ARG 71 1HH1 ARG 71 9.521 -6.572 5.084 464 2HH1 ARG 71 2HH1 ARG 71 10.500 -7.868 5.684 465 1HH2 ARG 71 1HH2 ARG 71 11.195 -9.207 2.502 466 2HH2 ARG 71 2HH2 ARG 71 11.460 -9.378 4.205 467 H SER 72 H SER 72 9.020 -6.700 -2.829 468 HA SER 72 HA SER 72 11.310 -4.933 -2.824 469 1HB SER 72 1HB SER 72 11.929 -6.848 -4.657 470 2HB SER 72 2HB SER 72 12.245 -7.021 -2.921 471 HG SER 72 HG SER 72 11.139 -8.865 -3.404 472 H PHE 73 H PHE 73 11.672 -3.446 -4.453 473 HA PHE 73 HA PHE 73 11.202 -3.647 -7.073 474 1HB PHE 73 1HB PHE 73 8.719 -3.425 -5.512 475 2HB PHE 73 2HB PHE 73 8.872 -2.036 -6.592 476 HD1 PHE 73 1HD PHE 73 10.321 -3.494 -8.841 477 HD2 PHE 73 2HD PHE 73 6.895 -4.498 -6.549 478 HE1 PHE 73 1HE PHE 73 9.461 -4.892 -10.740 479 HE2 PHE 73 2HE PHE 73 6.033 -5.894 -8.450 480 HZ PHE 73 HZ PHE 73 7.327 -6.075 -10.521 481 H GLU 74 H GLU 74 10.824 -1.370 -8.175 482 HA GLU 74 HA GLU 74 12.491 0.422 -6.681 483 1HB GLU 74 1HB GLU 74 12.896 -0.054 -9.088 484 2HB GLU 74 2HB GLU 74 11.338 0.686 -9.495 485 1HG GLU 74 1HG GLU 74 12.280 2.756 -8.178 486 2HG GLU 74 2HG GLU 74 13.858 1.994 -8.427 487 HE2 GLU 74 HE2 GLU 74 13.803 2.681 -11.839 488 H GLY 75 H GLY 75 11.650 1.941 -5.326 489 1HA GLY 75 1HA GLY 75 8.834 2.656 -5.575 490 2HA GLY 75 2HA GLY 75 9.919 3.022 -4.248 491 H PHE 76 H PHE 76 8.463 5.132 -4.905 492 HA PHE 76 HA PHE 76 10.384 6.855 -6.231 493 1HB PHE 76 1HB PHE 76 7.390 6.818 -6.886 494 2HB PHE 76 2HB PHE 76 8.636 7.737 -7.736 495 HD1 PHE 76 1HD PHE 76 9.642 6.835 -9.635 496 HD2 PHE 76 2HD PHE 76 7.527 4.262 -7.006 497 HE1 PHE 76 1HE PHE 76 9.885 4.954 -11.280 498 HE2 PHE 76 2HE PHE 76 7.769 2.382 -8.650 499 HZ PHE 76 HZ PHE 76 8.946 2.750 -10.769 500 H LEU 77 H LEU 77 10.176 9.093 -5.624 501 HA LEU 77 HA LEU 77 8.756 9.387 -3.107 502 1HB LEU 77 1HB LEU 77 10.585 11.371 -4.426 503 2HB LEU 77 2HB LEU 77 10.135 11.254 -2.716 504 HG LEU 77 HG LEU 77 11.976 9.449 -4.297 505 1HD1 LEU 77 1HD1 LEU 77 13.099 10.357 -1.851 506 2HD1 LEU 77 2HD1 LEU 77 13.586 10.758 -3.517 507 3HD1 LEU 77 3HD1 LEU 77 12.382 11.764 -2.674 508 1HD2 LEU 77 1HD2 LEU 77 11.029 9.053 -1.446 509 2HD2 LEU 77 2HD2 LEU 77 10.540 8.073 -2.848 510 3HD2 LEU 77 3HD2 LEU 77 12.236 8.073 -2.310 511 H PHE 78 H PHE 78 7.440 11.347 -2.691 512 HA PHE 78 HA PHE 78 5.775 11.854 -5.010 513 1HB PHE 78 1HB PHE 78 4.180 12.492 -3.338 514 2HB PHE 78 2HB PHE 78 5.106 11.230 -2.520 515 HD1 PHE 78 1HD PHE 78 4.344 14.795 -2.668 516 HD2 PHE 78 2HD PHE 78 6.672 11.817 -0.741 517 HE1 PHE 78 1HE PHE 78 4.872 16.407 -0.817 518 HE2 PHE 78 2HE PHE 78 7.199 13.427 1.112 519 HZ PHE 78 HZ PHE 78 6.292 15.703 1.052 520 H ASP 79 H ASP 79 8.262 13.399 -3.059 521 HA ASP 79 HA ASP 79 7.531 16.032 -3.461 522 1HB ASP 79 1HB ASP 79 9.492 14.773 -2.090 523 2HB ASP 79 2HB ASP 79 10.446 15.296 -3.485 524 HD2 ASP 79 HD2 ASP 79 9.107 18.630 -2.198 525 H GLY 80 H GLY 80 9.767 13.802 -5.269 526 1HA GLY 80 1HA GLY 80 9.150 14.523 -7.817 527 2HA GLY 80 2HA GLY 80 10.318 15.734 -7.327 528 H THR 81 H THR 81 11.659 13.787 -5.396 529 HA THR 81 HA THR 81 13.488 12.694 -7.316 530 HB THR 81 HB THR 81 13.296 12.559 -4.260 531 HG1 THR 81 1HG THR 81 14.981 14.060 -6.130 532 1HG2 THR 81 1HG2 THR 81 15.794 12.164 -4.457 533 2HG2 THR 81 2HG2 THR 81 14.826 10.797 -5.059 534 3HG2 THR 81 3HG2 THR 81 15.576 11.930 -6.208 535 H ARG 82 H ARG 82 14.318 10.341 -6.868 536 HA ARG 82 HA ARG 82 11.914 8.718 -6.989 537 1HB ARG 82 1HB ARG 82 14.464 8.763 -8.460 538 2HB ARG 82 2HB ARG 82 14.061 7.136 -7.886 539 1HG ARG 82 1HG ARG 82 12.516 6.920 -9.507 540 2HG ARG 82 2HG ARG 82 11.675 8.380 -8.957 541 1HD ARG 82 1HD ARG 82 14.168 8.982 -10.402 542 2HD ARG 82 2HD ARG 82 13.028 8.062 -11.393 543 HE ARG 82 HE ARG 82 11.524 10.085 -10.142 544 1HH1 ARG 82 1HH1 ARG 82 14.244 9.914 -12.369 545 2HH1 ARG 82 2HH1 ARG 82 13.871 11.420 -13.140 546 1HH2 ARG 82 1HH2 ARG 82 11.034 12.071 -11.159 547 2HH2 ARG 82 2HH2 ARG 82 12.033 12.655 -12.447 548 H TRP 83 H TRP 83 12.079 6.465 -6.030 549 HA TRP 83 HA TRP 83 13.723 6.567 -3.606 550 1HB TRP 83 1HB TRP 83 11.515 6.397 -2.957 551 2HB TRP 83 2HB TRP 83 11.087 5.311 -4.282 552 HD1 TRP 83 HD TRP 83 14.195 4.137 -2.541 553 HE1 TRP 83 1HE TRP 83 13.753 2.100 -0.923 554 HE3 TRP 83 3HE TRP 83 9.123 4.503 -2.611 555 HZ2 TRP 83 2HZ TRP 83 11.386 0.898 0.123 556 HZ3 TRP 83 3HZ TRP 83 7.822 2.860 -1.266 557 HH2 TRP 83 HH TRP 83 8.872 1.101 0.070 558 H GLY 84 H GLY 84 12.235 3.693 -5.148 559 1HA GLY 84 1HA GLY 84 13.289 2.111 -6.499 560 2HA GLY 84 2HA GLY 84 14.856 2.785 -6.095 561 H THR 85 H THR 85 16.088 1.701 -4.613 562 HA THR 85 HA THR 85 16.629 0.434 -2.851 563 HB THR 85 HB THR 85 13.630 0.682 -2.327 564 HG1 THR 85 1HG THR 85 15.620 2.309 -2.051 565 1HG2 THR 85 1HG2 THR 85 14.962 -0.066 0.054 566 2HG2 THR 85 2HG2 THR 85 13.801 -1.065 -0.854 567 3HG2 THR 85 3HG2 THR 85 15.545 -1.227 -1.162 568 H VAL 86 H VAL 86 13.510 -0.860 -4.192 569 HA VAL 86 HA VAL 86 13.200 -2.722 -5.405 570 HB VAL 86 HB VAL 86 16.011 -3.638 -4.863 571 1HG1 VAL 86 1HG1 VAL 86 15.729 -4.619 -7.153 572 2HG1 VAL 86 2HG1 VAL 86 14.603 -5.268 -5.936 573 3HG1 VAL 86 3HG1 VAL 86 14.036 -4.070 -7.125 574 1HG2 VAL 86 1HG2 VAL 86 15.205 -1.229 -6.289 575 2HG2 VAL 86 2HG2 VAL 86 16.830 -1.803 -5.843 576 3HG2 VAL 86 3HG2 VAL 86 16.067 -2.370 -7.346 577 H ASP 87 H ASP 87 14.361 -2.408 -2.189 578 HA ASP 87 HA ASP 87 12.936 -4.837 -1.527 579 1HB ASP 87 1HB ASP 87 15.408 -5.323 -1.566 580 2HB ASP 87 2HB ASP 87 15.641 -4.082 -0.327 581 HD2 ASP 87 HD2 ASP 87 15.481 -6.853 1.746 582 H CYS 88 H CYS 88 11.225 -3.664 -0.528 583 HA CYS 88 HA CYS 88 11.900 -1.483 1.233 584 1HB CYS 88 1HB CYS 88 10.050 -1.097 -0.179 585 2HB CYS 88 2HB CYS 88 9.292 -2.633 0.249 586 H THR 89 H THR 89 13.153 -3.592 2.310 587 HA THR 89 HA THR 89 11.313 -4.864 4.204 588 HB THR 89 HB THR 89 12.886 -6.255 2.785 589 HG1 THR 89 1HG THR 89 13.166 -7.499 4.641 590 1HG2 THR 89 1HG2 THR 89 14.841 -4.631 2.818 591 2HG2 THR 89 2HG2 THR 89 15.023 -4.958 4.558 592 3HG2 THR 89 3HG2 THR 89 15.279 -6.263 3.375 593 H THR 90 H THR 90 13.345 -2.146 3.931 594 HA THR 90 HA THR 90 14.126 -2.203 6.732 595 HB THR 90 HB THR 90 14.685 -0.424 4.317 596 HG1 THR 90 1HG THR 90 16.583 -1.591 4.511 597 1HG2 THR 90 1HG2 THR 90 14.665 1.169 6.149 598 2HG2 THR 90 2HG2 THR 90 15.401 -0.010 7.261 599 3HG2 THR 90 3HG2 THR 90 16.365 0.686 5.935 600 H ALA 91 H ALA 91 12.177 -0.091 4.520 601 HA ALA 91 HA ALA 91 11.024 1.162 6.876 602 1HB ALA 91 1HB ALA 91 11.655 2.707 5.191 603 2HB ALA 91 2HB ALA 91 10.970 1.701 3.893 604 3HB ALA 91 3HB ALA 91 9.891 2.552 5.022 605 H ALA 92 H ALA 92 8.880 0.925 7.523 606 HA ALA 92 HA ALA 92 7.605 -1.474 6.709 607 1HB ALA 92 1HB ALA 92 5.850 -0.705 8.303 608 2HB ALA 92 2HB ALA 92 7.485 -0.633 9.004 609 3HB ALA 92 3HB ALA 92 6.690 0.859 8.440 610 H CYS 93 H CYS 93 6.521 -1.739 4.827 611 HA CYS 93 HA CYS 93 5.497 0.616 3.505 612 1HB CYS 93 1HB CYS 93 4.981 -1.993 2.276 613 2HB CYS 93 2HB CYS 93 5.680 -0.523 1.589 614 H GLN 94 H GLN 94 3.336 1.198 3.562 615 HA GLN 94 HA GLN 94 1.569 -0.712 4.869 616 1HB GLN 94 1HB GLN 94 0.560 1.029 5.931 617 2HB GLN 94 2HB GLN 94 2.074 1.877 5.570 618 1HG GLN 94 1HG GLN 94 1.043 2.725 3.454 619 2HG GLN 94 2HG GLN 94 -0.476 1.929 3.887 620 1HE2 GLN 94 1HE2 GLN 94 1.945 4.271 4.981 621 2HE2 GLN 94 2HE2 GLN 94 0.880 5.296 5.883 622 H VAL 95 H VAL 95 0.023 -1.714 3.652 623 HA VAL 95 HA VAL 95 -0.356 -0.759 0.938 624 HB VAL 95 HB VAL 95 -1.431 -3.233 2.299 625 1HG1 VAL 95 1HG1 VAL 95 -1.586 -4.096 -0.023 626 2HG1 VAL 95 2HG1 VAL 95 -2.621 -2.676 0.257 627 3HG1 VAL 95 3HG1 VAL 95 -1.086 -2.499 -0.626 628 1HG2 VAL 95 1HG2 VAL 95 0.784 -3.691 0.478 629 2HG2 VAL 95 2HG2 VAL 95 1.263 -2.623 1.818 630 3HG2 VAL 95 3HG2 VAL 95 0.567 -4.225 2.162 631 H GLY 96 H GLY 96 -1.998 0.580 0.409 632 1HA GLY 96 1HA GLY 96 -4.630 0.210 1.420 633 2HA GLY 96 2HA GLY 96 -3.851 1.568 2.206 634 H LEU 97 H LEU 97 -5.931 2.419 0.865 635 HA LEU 97 HA LEU 97 -5.006 3.139 -1.821 636 1HB LEU 97 1HB LEU 97 -7.406 3.772 -2.150 637 2HB LEU 97 2HB LEU 97 -7.064 2.044 -1.966 638 HG LEU 97 HG LEU 97 -9.137 2.884 -0.823 639 1HD1 LEU 97 1HD1 LEU 97 -8.896 1.025 0.356 640 2HD1 LEU 97 2HD1 LEU 97 -7.132 1.086 0.121 641 3HD1 LEU 97 3HD1 LEU 97 -7.874 1.896 1.525 642 1HD2 LEU 97 1HD2 LEU 97 -7.419 4.028 1.346 643 2HD2 LEU 97 2HD2 LEU 97 -7.826 5.032 -0.065 644 3HD2 LEU 97 3HD2 LEU 97 -9.123 4.349 0.946 645 H SER 98 H SER 98 -4.796 5.301 -2.435 646 HA SER 98 HA SER 98 -4.889 7.129 -0.171 647 1HB SER 98 1HB SER 98 -3.205 8.435 -1.290 648 2HB SER 98 2HB SER 98 -2.675 6.744 -1.335 649 HG SER 98 HG SER 98 -3.785 8.355 -3.454 650 H ASP 99 H ASP 99 -5.618 9.399 -0.632 651 HA ASP 99 HA ASP 99 -8.008 9.353 -2.067 652 1HB ASP 99 1HB ASP 99 -6.580 11.926 -1.404 653 2HB ASP 99 2HB ASP 99 -8.305 11.556 -1.279 654 HD2 ASP 99 HD2 ASP 99 -6.888 9.632 1.704 655 H ALA 100 H ALA 100 -8.513 11.014 -3.882 656 HA ALA 100 HA ALA 100 -6.385 10.874 -5.848 657 1HB ALA 100 1HB ALA 100 -9.215 10.688 -5.860 658 2HB ALA 100 2HB ALA 100 -8.810 12.179 -6.746 659 3HB ALA 100 3HB ALA 100 -8.115 10.622 -7.258 660 H ALA 101 H ALA 101 -7.141 12.908 -3.335 661 HA ALA 101 HA ALA 101 -6.865 15.398 -4.770 662 1HB ALA 101 1HB ALA 101 -7.181 16.404 -2.598 663 2HB ALA 101 2HB ALA 101 -8.329 15.048 -2.736 664 3HB ALA 101 3HB ALA 101 -6.843 14.862 -1.775 665 H GLY 102 H GLY 102 -4.908 13.138 -2.791 666 1HA GLY 102 1HA GLY 102 -2.532 13.169 -3.598 667 2HA GLY 102 2HA GLY 102 -2.564 14.884 -3.243 668 H ASN 103 H ASN 103 -4.044 12.126 -1.412 669 HA ASN 103 HA ASN 103 -2.071 12.509 0.650 670 1HB ASN 103 1HB ASN 103 -5.057 12.633 1.271 671 2HB ASN 103 2HB ASN 103 -3.731 12.862 2.421 672 1HD2 ASN 103 1HD2 ASN 103 -5.530 14.186 -0.262 673 2HD2 ASN 103 2HD2 ASN 103 -5.013 15.833 -0.121 674 H GLY 104 H GLY 104 -1.898 10.580 2.002 675 1HA GLY 104 1HA GLY 104 -3.752 8.382 1.366 676 2HA GLY 104 2HA GLY 104 -2.026 8.156 1.167 677 HA PRO 105 HA PRO 105 -2.667 8.816 5.805 678 1HB PRO 105 1HB PRO 105 -5.132 9.459 6.794 679 2HB PRO 105 2HB PRO 105 -3.895 10.661 6.428 680 1HG PRO 105 1HG PRO 105 -6.325 9.924 4.926 681 2HG PRO 105 2HG PRO 105 -5.353 11.437 4.819 682 1HD PRO 105 1HD PRO 105 -5.429 9.235 2.991 683 2HD PRO 105 2HD PRO 105 -4.337 10.624 2.924 684 H GLU 106 H GLU 106 -5.140 7.228 4.028 685 HA GLU 106 HA GLU 106 -5.511 5.338 6.163 686 1HB GLU 106 1HB GLU 106 -6.963 6.177 3.785 687 2HB GLU 106 2HB GLU 106 -6.842 4.409 3.848 688 1HG GLU 106 1HG GLU 106 -8.531 4.427 5.341 689 2HG GLU 106 2HG GLU 106 -7.447 5.219 6.496 690 HE2 GLU 106 HE2 GLU 106 -10.477 7.242 5.529 691 H GLY 107 H GLY 107 -4.850 3.143 6.109 692 1HA GLY 107 1HA GLY 107 -3.993 1.558 4.162 693 2HA GLY 107 2HA GLY 107 -2.608 2.620 4.321 694 H VAL 108 H VAL 108 -2.908 -0.311 4.951 695 HA VAL 108 HA VAL 108 -2.438 -0.222 7.843 696 HB VAL 108 HB VAL 108 -4.202 -1.727 6.624 697 1HG1 VAL 108 1HG1 VAL 108 -3.515 -3.530 5.459 698 2HG1 VAL 108 2HG1 VAL 108 -1.987 -2.634 5.286 699 3HG1 VAL 108 3HG1 VAL 108 -2.162 -3.853 6.570 700 1HG2 VAL 108 1HG2 VAL 108 -2.329 -2.503 8.857 701 2HG2 VAL 108 2HG2 VAL 108 -4.011 -1.932 8.945 702 3HG2 VAL 108 3HG2 VAL 108 -3.659 -3.575 8.356 703 H ALA 109 H ALA 109 -0.506 -1.060 8.722 704 HA ALA 109 HA ALA 109 1.722 -0.915 6.928 705 1HB ALA 109 1HB ALA 109 2.280 0.020 8.954 706 2HB ALA 109 2HB ALA 109 1.237 -1.088 9.878 707 3HB ALA 109 3HB ALA 109 2.813 -1.648 9.273 708 H ILE 110 H ILE 110 1.784 -2.639 5.496 709 HA ILE 110 HA ILE 110 1.427 -5.309 6.593 710 HB ILE 110 HB ILE 110 0.785 -4.054 4.166 711 1HG1 ILE 110 1HG1 ILE 110 -0.645 -5.634 5.176 712 2HG1 ILE 110 2HG1 ILE 110 -0.135 -6.344 3.632 713 1HG2 ILE 110 1HG2 ILE 110 1.835 -5.712 2.560 714 2HG2 ILE 110 2HG2 ILE 110 2.899 -4.431 3.186 715 3HG2 ILE 110 3HG2 ILE 110 3.005 -6.078 3.851 716 1HD1 ILE 110 1HD1 ILE 110 1.792 -7.394 5.163 717 2HD1 ILE 110 2HD1 ILE 110 0.598 -7.117 6.451 718 3HD1 ILE 110 3HD1 ILE 110 0.187 -8.154 5.065 719 H SER 111 H SER 111 3.052 -6.893 6.622 720 HA SER 111 HA SER 111 5.372 -7.000 5.420 721 1HB SER 111 1HB SER 111 5.440 -4.748 7.333 722 2HB SER 111 2HB SER 111 6.800 -5.872 7.506 723 HG SER 111 HG SER 111 6.004 -4.833 4.937 724 H PHE 112 H PHE 112 4.698 -6.562 8.978 725 HA PHE 112 HA PHE 112 4.832 -9.441 9.296 726 1HB PHE 112 1HB PHE 112 7.141 -8.841 9.675 727 2HB PHE 112 2HB PHE 112 6.704 -7.315 10.450 728 HD1 PHE 112 1HD PHE 112 6.055 -10.962 10.984 729 HD2 PHE 112 2HD PHE 112 7.101 -7.228 12.708 730 HE1 PHE 112 1HE PHE 112 6.270 -12.061 13.230 731 HE2 PHE 112 2HE PHE 112 7.315 -8.328 14.955 732 HZ PHE 112 HZ PHE 112 6.898 -10.731 15.190 733 H ASN 113 H ASN 113 3.392 -10.153 10.833 734 HA ASN 113 HA ASN 113 1.425 -8.604 11.748 735 1HB ASN 113 1HB ASN 113 1.406 -11.057 11.923 736 2HB ASN 113 2HB ASN 113 2.694 -11.021 13.137 737 1HD2 ASN 113 1HD2 ASN 113 2.242 -10.598 15.223 738 2HD2 ASN 113 2HD2 ASN 113 0.652 -10.376 15.873 739 6H NCZ 130 6H NCZ 130 1.214 13.670 0.493 740 6H1 NCZ 130 6H1 NCZ 130 -0.487 11.332 0.868 741 5H1 NCZ 130 5H1 NCZ 130 0.882 12.055 3.010 742 4H1 NCZ 130 4H1 NCZ 130 3.465 11.330 2.371 743 5H NCZ 130 5H NCZ 130 3.611 11.729 -1.239 744 3H1 NCZ 130 3H1 NCZ 130 3.252 10.028 0.319 745 2H1 NCZ 130 2H1 NCZ 130 1.654 11.286 -1.034 746 2H NCZ 130 2H NCZ 130 0.246 8.239 -4.129 747 8H NCZ 130 8H NCZ 130 -0.604 5.148 -3.903 748 7H NCZ 130 7H NCZ 130 -1.374 3.968 -1.874 749 3H NCZ 130 3H NCZ 130 -0.817 4.647 2.746 750 1H17 NCZ 130 1H17 NCZ 130 1.148 8.171 4.712 751 2H17 NCZ 130 2H17 NCZ 130 1.845 8.400 3.090 752 3H17 NCZ 130 3H17 NCZ 130 0.138 8.801 3.389 753 1H18 NCZ 130 1H18 NCZ 130 -1.443 2.925 -0.374 754 2H18 NCZ 130 2H18 NCZ 130 -1.393 2.822 1.401 755 3H18 NCZ 130 3H18 NCZ 130 -2.707 3.713 0.597 756 1H NCZ 130 1H NCZ 130 1.218 7.927 0.988 Start of MODEL 44 1 H ALA 1 H ALA 1 -10.801 -7.306 11.372 2 HA ALA 1 HA ALA 1 -9.224 -6.209 9.830 3 1HB ALA 1 1HB ALA 1 -9.591 -7.508 7.451 4 2HB ALA 1 2HB ALA 1 -8.197 -7.768 8.527 5 3HB ALA 1 3HB ALA 1 -9.587 -8.880 8.584 6 H ALA 2 H ALA 2 -11.868 -5.959 10.913 7 HA ALA 2 HA ALA 2 -13.666 -5.637 8.689 8 1HB ALA 2 1HB ALA 2 -15.291 -5.262 10.326 9 2HB ALA 2 2HB ALA 2 -14.146 -6.322 11.183 10 3HB ALA 2 3HB ALA 2 -14.122 -4.566 11.473 11 HA PRO 3 HA PRO 3 -12.510 -1.160 9.760 12 1HB PRO 3 1HB PRO 3 -10.189 -0.703 11.129 13 2HB PRO 3 2HB PRO 3 -11.772 -0.744 11.903 14 1HG PRO 3 1HG PRO 3 -9.623 -2.763 11.876 15 2HG PRO 3 2HG PRO 3 -10.995 -2.597 13.031 16 1HD PRO 3 1HD PRO 3 -10.678 -4.486 10.902 17 2HD PRO 3 2HD PRO 3 -12.116 -4.260 11.906 18 H THR 4 H THR 4 -12.011 -0.145 7.931 19 HA THR 4 HA THR 4 -10.965 0.181 5.986 20 HB THR 4 HB THR 4 -9.031 1.315 6.475 21 HG1 THR 4 1HG THR 4 -7.766 -0.592 6.100 22 1HG2 THR 4 1HG2 THR 4 -8.491 1.645 8.775 23 2HG2 THR 4 2HG2 THR 4 -10.211 1.192 8.831 24 3HG2 THR 4 3HG2 THR 4 -8.961 -0.016 9.211 25 H ALA 5 H ALA 5 -9.059 -0.671 4.463 26 HA ALA 5 HA ALA 5 -9.631 -3.497 4.226 27 1HB ALA 5 1HB ALA 5 -9.642 -1.648 2.369 28 2HB ALA 5 2HB ALA 5 -7.877 -1.880 2.374 29 3HB ALA 5 3HB ALA 5 -8.952 -3.248 1.998 30 H THR 6 H THR 6 -8.190 -5.156 4.587 31 HA THR 6 HA THR 6 -5.412 -4.405 5.157 32 HB THR 6 HB THR 6 -5.768 -6.251 7.075 33 HG1 THR 6 1HG THR 6 -8.030 -5.964 7.823 34 1HG2 THR 6 1HG2 THR 6 -6.248 -4.501 8.696 35 2HG2 THR 6 2HG2 THR 6 -5.252 -3.748 7.426 36 3HG2 THR 6 3HG2 THR 6 -7.011 -3.483 7.453 37 H VAL 7 H VAL 7 -3.853 -5.990 4.691 38 HA VAL 7 HA VAL 7 -4.634 -7.728 2.591 39 HB VAL 7 HB VAL 7 -2.119 -7.020 4.040 40 1HG1 VAL 7 1HG1 VAL 7 -2.141 -9.524 3.786 41 2HG1 VAL 7 2HG1 VAL 7 -2.249 -9.284 2.025 42 3HG1 VAL 7 3HG1 VAL 7 -0.824 -8.699 2.918 43 1HG2 VAL 7 1HG2 VAL 7 -1.369 -6.461 1.759 44 2HG2 VAL 7 2HG2 VAL 7 -2.921 -7.039 1.109 45 3HG2 VAL 7 3HG2 VAL 7 -2.879 -5.620 2.182 46 H THR 8 H THR 8 -5.443 -9.756 2.735 47 HA THR 8 HA THR 8 -6.278 -11.013 4.920 48 HB THR 8 HB THR 8 -5.255 -11.895 2.231 49 HG1 THR 8 1HG THR 8 -7.453 -11.506 2.262 50 1HG2 THR 8 1HG2 THR 8 -5.710 -14.247 2.694 51 2HG2 THR 8 2HG2 THR 8 -4.492 -13.713 3.876 52 3HG2 THR 8 3HG2 THR 8 -6.195 -13.876 4.365 53 HA PRO 9 HA PRO 9 -2.242 -13.117 5.934 54 1HB PRO 9 1HB PRO 9 -0.077 -12.974 4.272 55 2HB PRO 9 2HB PRO 9 -1.248 -14.293 4.220 56 1HG PRO 9 1HG PRO 9 -0.919 -11.975 2.424 57 2HG PRO 9 2HG PRO 9 -1.766 -13.531 2.106 58 1HD PRO 9 1HD PRO 9 -2.906 -10.967 2.673 59 2HD PRO 9 2HD PRO 9 -3.776 -12.499 2.524 60 H SER 10 H SER 10 0.558 -12.363 5.747 61 HA SER 10 HA SER 10 0.220 -9.899 7.231 62 1HB SER 10 1HB SER 10 2.445 -10.364 8.145 63 2HB SER 10 2HB SER 10 1.403 -11.786 8.333 64 HG SER 10 HG SER 10 3.374 -11.373 6.248 65 H SER 11 H SER 11 1.556 -11.276 4.268 66 HA SER 11 HA SER 11 2.645 -10.443 2.582 67 1HB SER 11 1HB SER 11 0.918 -8.240 3.522 68 2HB SER 11 2HB SER 11 2.273 -7.692 2.516 69 HG SER 11 HG SER 11 0.353 -8.212 1.267 70 H GLY 12 H GLY 12 4.482 -8.903 1.849 71 1HA GLY 12 1HA GLY 12 6.343 -7.635 2.285 72 2HA GLY 12 2HA GLY 12 5.966 -7.632 3.996 73 H LEU 13 H LEU 13 5.631 -10.496 4.376 74 HA LEU 13 HA LEU 13 8.307 -11.196 4.807 75 1HB LEU 13 1HB LEU 13 7.343 -13.410 5.382 76 2HB LEU 13 2HB LEU 13 6.658 -12.032 6.258 77 HG LEU 13 HG LEU 13 4.700 -12.100 4.718 78 1HD1 LEU 13 1HD1 LEU 13 4.561 -14.530 3.594 79 2HD1 LEU 13 2HD1 LEU 13 5.189 -13.097 2.743 80 3HD1 LEU 13 3HD1 LEU 13 6.317 -14.263 3.476 81 1HD2 LEU 13 1HD2 LEU 13 5.141 -14.748 6.114 82 2HD2 LEU 13 2HD2 LEU 13 4.765 -13.227 6.959 83 3HD2 LEU 13 3HD2 LEU 13 3.599 -13.914 5.802 84 H SER 14 H SER 14 6.249 -11.372 2.005 85 HA SER 14 HA SER 14 8.406 -12.691 0.626 86 1HB SER 14 1HB SER 14 6.359 -14.265 1.440 87 2HB SER 14 2HB SER 14 5.681 -13.695 -0.095 88 HG SER 14 HG SER 14 6.828 -15.440 -0.750 89 H ASP 15 H ASP 15 8.882 -11.211 -0.956 90 HA ASP 15 HA ASP 15 7.023 -9.289 -1.750 91 1HB ASP 15 1HB ASP 15 8.751 -8.800 -3.547 92 2HB ASP 15 2HB ASP 15 9.377 -8.779 -1.890 93 HD2 ASP 15 HD2 ASP 15 10.492 -11.836 -4.195 94 H GLY 16 H GLY 16 5.544 -11.519 -2.156 95 1HA GLY 16 1HA GLY 16 4.961 -11.520 -4.926 96 2HA GLY 16 2HA GLY 16 5.845 -12.975 -4.508 97 H THR 17 H THR 17 3.859 -11.393 -2.037 98 HA THR 17 HA THR 17 2.112 -13.730 -2.040 99 HB THR 17 HB THR 17 2.140 -11.457 -0.018 100 HG1 THR 17 1HG THR 17 3.878 -12.988 0.924 101 1HG2 THR 17 1HG2 THR 17 0.990 -12.965 1.257 102 2HG2 THR 17 2HG2 THR 17 0.901 -14.030 -0.167 103 3HG2 THR 17 3HG2 THR 17 2.248 -14.195 0.984 104 H VAL 18 H VAL 18 0.455 -13.643 -3.439 105 HA VAL 18 HA VAL 18 -0.851 -11.058 -3.804 106 HB VAL 18 HB VAL 18 -0.232 -12.065 -5.838 107 1HG1 VAL 18 1HG1 VAL 18 -1.180 -14.603 -4.554 108 2HG1 VAL 18 2HG1 VAL 18 -1.255 -14.458 -6.327 109 3HG1 VAL 18 3HG1 VAL 18 0.303 -14.275 -5.484 110 1HG2 VAL 18 1HG2 VAL 18 -2.219 -11.962 -6.963 111 2HG2 VAL 18 2HG2 VAL 18 -3.062 -13.021 -5.807 112 3HG2 VAL 18 3HG2 VAL 18 -2.756 -11.318 -5.396 113 H VAL 19 H VAL 19 -2.620 -10.588 -2.615 114 HA VAL 19 HA VAL 19 -4.474 -12.746 -2.022 115 HB VAL 19 HB VAL 19 -4.595 -11.947 0.360 116 1HG1 VAL 19 1HG1 VAL 19 -3.056 -13.904 -0.801 117 2HG1 VAL 19 2HG1 VAL 19 -1.854 -13.013 0.164 118 3HG1 VAL 19 3HG1 VAL 19 -3.301 -13.692 0.948 119 1HG2 VAL 19 1HG2 VAL 19 -2.046 -11.049 0.890 120 2HG2 VAL 19 2HG2 VAL 19 -2.443 -10.200 -0.624 121 3HG2 VAL 19 3HG2 VAL 19 -3.503 -10.030 0.794 122 H LYS 20 H LYS 20 -6.097 -11.158 -0.241 123 HA LYS 20 HA LYS 20 -6.809 -8.940 -2.027 124 1HB LYS 20 1HB LYS 20 -8.240 -11.203 -1.898 125 2HB LYS 20 2HB LYS 20 -8.976 -10.332 -0.541 126 1HG LYS 20 1HG LYS 20 -8.765 -8.392 -2.538 127 2HG LYS 20 2HG LYS 20 -9.199 -9.851 -3.442 128 1HD LYS 20 1HD LYS 20 -10.685 -9.166 -0.905 129 2HD LYS 20 2HD LYS 20 -11.086 -8.298 -2.397 130 1HE LYS 20 1HE LYS 20 -10.868 -11.190 -2.829 131 2HE LYS 20 2HE LYS 20 -12.074 -10.809 -1.590 132 1HZ LYS 20 1HZ LYS 20 -13.376 -10.363 -3.301 133 2HZ LYS 20 2HZ LYS 20 -12.509 -9.000 -3.545 134 3HZ LYS 20 3HZ LYS 20 -12.153 -10.356 -4.385 135 H VAL 21 H VAL 21 -7.463 -7.008 -1.033 136 HA VAL 21 HA VAL 21 -7.033 -6.988 1.873 137 HB VAL 21 HB VAL 21 -6.719 -4.674 -0.037 138 1HG1 VAL 21 1HG1 VAL 21 -5.792 -3.500 1.724 139 2HG1 VAL 21 2HG1 VAL 21 -7.015 -4.475 2.571 140 3HG1 VAL 21 3HG1 VAL 21 -5.306 -4.973 2.597 141 1HG2 VAL 21 1HG2 VAL 21 -4.164 -5.313 0.594 142 2HG2 VAL 21 2HG2 VAL 21 -4.885 -6.937 0.526 143 3HG2 VAL 21 3HG2 VAL 21 -4.985 -5.859 -0.886 144 H ALA 22 H ALA 22 -9.227 -7.520 2.377 145 HA ALA 22 HA ALA 22 -11.283 -5.781 1.307 146 1HB ALA 22 1HB ALA 22 -11.091 -8.437 2.446 147 2HB ALA 22 2HB ALA 22 -12.303 -7.483 3.334 148 3HB ALA 22 3HB ALA 22 -12.447 -7.686 1.571 149 H GLY 23 H GLY 23 -12.378 -4.190 2.466 150 1HA GLY 23 1HA GLY 23 -11.701 -3.829 5.291 151 2HA GLY 23 2HA GLY 23 -11.268 -2.547 4.180 152 H ALA 24 H ALA 24 -13.333 -2.758 6.445 153 HA ALA 24 HA ALA 24 -15.630 -1.886 4.831 154 1HB ALA 24 1HB ALA 24 -17.048 -3.188 6.046 155 2HB ALA 24 2HB ALA 24 -15.583 -4.145 6.369 156 3HB ALA 24 3HB ALA 24 -16.143 -2.943 7.557 157 H GLY 25 H GLY 25 -15.464 0.323 4.926 158 1HA GLY 25 1HA GLY 25 -16.261 2.063 6.523 159 2HA GLY 25 2HA GLY 25 -14.998 1.502 7.600 160 H LEU 26 H LEU 26 -13.803 1.069 4.484 161 HA LEU 26 HA LEU 26 -12.074 3.335 4.766 162 1HB LEU 26 1HB LEU 26 -11.661 0.890 3.891 163 2HB LEU 26 2HB LEU 26 -12.116 1.608 2.336 164 HG LEU 26 HG LEU 26 -10.307 3.263 2.593 165 1HD1 LEU 26 1HD1 LEU 26 -9.337 3.676 4.543 166 2HD1 LEU 26 2HD1 LEU 26 -10.348 2.423 5.301 167 3HD1 LEU 26 3HD1 LEU 26 -8.750 1.998 4.638 168 1HD2 LEU 26 1HD2 LEU 26 -8.952 1.873 1.508 169 2HD2 LEU 26 2HD2 LEU 26 -8.683 0.885 2.964 170 3HD2 LEU 26 3HD2 LEU 26 -10.088 0.567 1.921 171 H GLN 27 H GLN 27 -12.016 3.414 1.630 172 HA GLN 27 HA GLN 27 -13.241 5.791 1.329 173 1HB GLN 27 1HB GLN 27 -12.527 3.577 -0.580 174 2HB GLN 27 2HB GLN 27 -13.398 4.992 -1.199 175 1HG GLN 27 1HG GLN 27 -10.803 5.020 -1.261 176 2HG GLN 27 2HG GLN 27 -11.619 6.464 -0.636 177 1HE2 GLN 27 1HE2 GLN 27 -9.258 4.176 -0.124 178 2HE2 GLN 27 2HE2 GLN 27 -8.962 4.395 1.569 179 H ALA 28 H ALA 28 -15.316 5.927 2.304 180 HA ALA 28 HA ALA 28 -17.368 4.096 1.876 181 1HB ALA 28 1HB ALA 28 -16.961 6.729 3.087 182 2HB ALA 28 2HB ALA 28 -18.567 6.584 2.331 183 3HB ALA 28 3HB ALA 28 -18.058 5.412 3.570 184 H GLY 29 H GLY 29 -17.303 3.561 -0.404 185 1HA GLY 29 1HA GLY 29 -18.209 3.691 -2.463 186 2HA GLY 29 2HA GLY 29 -19.117 5.101 -1.956 187 H THR 30 H THR 30 -15.643 5.205 -1.441 188 HA THR 30 HA THR 30 -15.454 7.250 -3.515 189 HB THR 30 HB THR 30 -13.051 6.837 -1.929 190 HG1 THR 30 1HG THR 30 -15.600 7.218 -0.531 191 1HG2 THR 30 1HG2 THR 30 -14.135 9.048 -0.838 192 2HG2 THR 30 2HG2 THR 30 -13.419 9.095 -2.466 193 3HG2 THR 30 3HG2 THR 30 -15.182 8.955 -2.275 194 H ALA 31 H ALA 31 -12.952 7.258 -4.395 195 HA ALA 31 HA ALA 31 -12.265 4.561 -5.228 196 1HB ALA 31 1HB ALA 31 -12.492 6.624 -7.393 197 2HB ALA 31 2HB ALA 31 -12.667 4.854 -7.480 198 3HB ALA 31 3HB ALA 31 -13.988 5.850 -6.820 199 H TYR 32 H TYR 32 -10.246 4.604 -4.289 200 HA TYR 32 HA TYR 32 -8.540 6.883 -5.041 201 1HB TYR 32 1HB TYR 32 -8.652 4.942 -2.659 202 2HB TYR 32 2HB TYR 32 -7.313 6.070 -2.894 203 HD1 TYR 32 1HD TYR 32 -9.881 7.939 -4.083 204 HD2 TYR 32 2HD TYR 32 -8.588 6.244 -0.374 205 HE1 TYR 32 1HE TYR 32 -11.175 9.718 -2.813 206 HE2 TYR 32 2HE TYR 32 -9.889 8.030 0.886 207 HH TYR 32 HH TYR 32 -11.967 9.462 0.338 208 H ASP 33 H ASP 33 -6.097 6.209 -4.945 209 HA ASP 33 HA ASP 33 -5.911 3.929 -6.679 210 1HB ASP 33 1HB ASP 33 -4.377 6.366 -6.115 211 2HB ASP 33 2HB ASP 33 -3.320 4.949 -6.216 212 HD2 ASP 33 HD2 ASP 33 -3.331 5.294 -9.603 213 H VAL 34 H VAL 34 -5.357 1.911 -5.842 214 HA VAL 34 HA VAL 34 -4.485 1.736 -3.109 215 HB VAL 34 HB VAL 34 -5.966 0.179 -4.875 216 1HG1 VAL 34 1HG1 VAL 34 -4.877 -1.877 -5.210 217 2HG1 VAL 34 2HG1 VAL 34 -3.656 -0.660 -5.648 218 3HG1 VAL 34 3HG1 VAL 34 -3.569 -1.478 -4.072 219 1HG2 VAL 34 1HG2 VAL 34 -6.704 -0.147 -2.774 220 2HG2 VAL 34 2HG2 VAL 34 -5.533 -1.487 -2.734 221 3HG2 VAL 34 3HG2 VAL 34 -5.091 0.102 -2.063 222 H GLY 35 H GLY 35 -2.474 0.963 -2.359 223 1HA GLY 35 1HA GLY 35 -0.437 -0.123 -3.864 224 2HA GLY 35 2HA GLY 35 -0.246 1.613 -4.015 225 H GLN 36 H GLN 36 1.627 -0.160 -2.687 226 HA GLN 36 HA GLN 36 1.148 0.348 0.116 227 1HB GLN 36 1HB GLN 36 3.665 -0.957 -0.854 228 2HB GLN 36 2HB GLN 36 2.669 -1.347 0.560 229 1HG GLN 36 1HG GLN 36 1.653 -2.975 -0.615 230 2HG GLN 36 2HG GLN 36 1.077 -1.788 -1.796 231 1HE2 GLN 36 1HE2 GLN 36 3.286 -0.895 -2.995 232 2HE2 GLN 36 2HE2 GLN 36 4.136 -2.150 -3.829 233 H CYS 37 H CYS 37 1.457 2.603 0.342 234 HA CYS 37 HA CYS 37 4.075 3.586 -0.512 235 1HB CYS 37 1HB CYS 37 1.893 4.688 -1.270 236 2HB CYS 37 2HB CYS 37 1.762 5.296 0.382 237 H ALA 38 H ALA 38 5.139 5.139 1.094 238 HA ALA 38 HA ALA 38 4.464 5.579 3.650 239 1HB ALA 38 1HB ALA 38 5.945 3.544 4.647 240 2HB ALA 38 2HB ALA 38 4.175 3.462 4.470 241 3HB ALA 38 3HB ALA 38 5.229 2.726 3.238 242 H TRP 39 H TRP 39 6.534 5.841 5.117 243 HA TRP 39 HA TRP 39 8.383 7.323 3.599 244 1HB TRP 39 1HB TRP 39 8.347 6.408 6.469 245 2HB TRP 39 2HB TRP 39 9.618 7.430 5.797 246 HD1 TRP 39 HD TRP 39 8.182 9.687 4.326 247 HE1 TRP 39 1HE TRP 39 6.476 11.391 5.401 248 HE3 TRP 39 3HE TRP 39 6.929 6.745 8.281 249 HZ2 TRP 39 2HZ TRP 39 4.831 11.317 7.734 250 HZ3 TRP 39 3HZ TRP 39 5.267 7.637 9.908 251 HH2 TRP 39 HH TRP 39 4.229 9.838 9.684 252 H VAL 40 H VAL 40 9.630 6.226 2.102 253 HA VAL 40 HA VAL 40 10.705 3.634 2.831 254 HB VAL 40 HB VAL 40 11.185 3.369 0.574 255 1HG1 VAL 40 1HG1 VAL 40 8.742 3.489 1.096 256 2HG1 VAL 40 2HG1 VAL 40 8.751 5.184 0.553 257 3HG1 VAL 40 3HG1 VAL 40 9.136 3.878 -0.595 258 1HG2 VAL 40 1HG2 VAL 40 12.462 5.431 0.231 259 2HG2 VAL 40 2HG2 VAL 40 11.276 5.194 -1.076 260 3HG2 VAL 40 3HG2 VAL 40 10.954 6.376 0.215 261 H ASP 41 H ASP 41 11.905 6.886 1.746 262 HA ASP 41 HA ASP 41 14.552 6.108 2.525 263 1HB ASP 41 1HB ASP 41 13.450 7.890 0.664 264 2HB ASP 41 2HB ASP 41 14.123 8.960 1.905 265 HD2 ASP 41 HD2 ASP 41 17.209 6.943 0.951 266 H THR 42 H THR 42 15.522 8.660 3.470 267 HA THR 42 HA THR 42 14.699 8.542 6.184 268 HB THR 42 HB THR 42 16.431 10.531 4.619 269 HG1 THR 42 1HG THR 42 17.030 8.257 6.368 270 1HG2 THR 42 1HG2 THR 42 16.408 11.638 6.652 271 2HG2 THR 42 2HG2 THR 42 15.731 10.233 7.511 272 3HG2 THR 42 3HG2 THR 42 17.477 10.306 7.163 273 H GLY 43 H GLY 43 12.492 8.928 6.389 274 1HA GLY 43 1HA GLY 43 10.695 10.229 6.753 275 2HA GLY 43 2HA GLY 43 11.747 11.631 6.672 276 H VAL 44 H VAL 44 11.916 9.540 3.885 277 HA VAL 44 HA VAL 44 10.447 11.554 2.364 278 HB VAL 44 HB VAL 44 12.233 9.323 1.383 279 1HG1 VAL 44 1HG1 VAL 44 12.293 10.486 -0.692 280 2HG1 VAL 44 2HG1 VAL 44 10.580 10.403 -0.213 281 3HG1 VAL 44 3HG1 VAL 44 11.494 11.917 0.001 282 1HG2 VAL 44 1HG2 VAL 44 13.528 10.750 2.874 283 2HG2 VAL 44 2HG2 VAL 44 14.002 11.045 1.185 284 3HG2 VAL 44 3HG2 VAL 44 12.948 12.204 2.029 285 H LEU 45 H LEU 45 8.301 11.131 2.199 286 HA LEU 45 HA LEU 45 7.329 8.456 2.382 287 1HB LEU 45 1HB LEU 45 6.343 11.032 2.758 288 2HB LEU 45 2HB LEU 45 5.424 10.389 1.386 289 HG LEU 45 HG LEU 45 5.734 8.897 3.996 290 1HD1 LEU 45 1HD1 LEU 45 4.048 10.010 5.000 291 2HD1 LEU 45 2HD1 LEU 45 4.579 11.335 3.936 292 3HD1 LEU 45 3HD1 LEU 45 3.191 10.322 3.473 293 1HD2 LEU 45 1HD2 LEU 45 3.778 8.664 1.693 294 2HD2 LEU 45 2HD2 LEU 45 5.052 7.508 2.150 295 3HD2 LEU 45 3HD2 LEU 45 3.661 7.766 3.227 296 H ALA 46 H ALA 46 7.877 7.084 0.738 297 HA ALA 46 HA ALA 46 7.281 8.059 -1.974 298 1HB ALA 46 1HB ALA 46 9.088 6.638 -2.771 299 2HB ALA 46 2HB ALA 46 9.715 7.707 -1.494 300 3HB ALA 46 3HB ALA 46 9.360 6.002 -1.132 301 H CYS 47 H CYS 47 6.761 6.138 -3.502 302 HA CYS 47 HA CYS 47 5.297 4.096 -2.004 303 1HB CYS 47 1HB CYS 47 4.155 5.110 -4.558 304 2HB CYS 47 2HB CYS 47 3.350 4.371 -3.171 305 H ASN 48 H ASN 48 5.301 2.012 -3.040 306 HA ASN 48 HA ASN 48 7.542 1.526 -4.604 307 1HB ASN 48 1HB ASN 48 5.131 -0.322 -4.491 308 2HB ASN 48 2HB ASN 48 6.844 -0.770 -4.552 309 1HD2 ASN 48 1HD2 ASN 48 7.559 1.340 -2.621 310 2HD2 ASN 48 2HD2 ASN 48 7.094 0.764 -1.053 311 HA PRO 49 HA PRO 49 5.864 1.762 -8.654 312 1HB PRO 49 1HB PRO 49 6.856 -0.411 -9.975 313 2HB PRO 49 2HB PRO 49 7.801 1.043 -9.664 314 1HG PRO 49 1HG PRO 49 7.875 -1.588 -8.334 315 2HG PRO 49 2HG PRO 49 9.134 -0.301 -8.347 316 1HD PRO 49 1HD PRO 49 7.336 -1.011 -6.235 317 2HD PRO 49 2HD PRO 49 8.446 0.366 -6.257 318 H ALA 50 H ALA 50 4.943 -0.797 -6.706 319 HA ALA 50 HA ALA 50 2.836 -1.516 -8.618 320 1HB ALA 50 1HB ALA 50 3.719 -3.552 -8.077 321 2HB ALA 50 2HB ALA 50 4.403 -2.967 -6.541 322 3HB ALA 50 3HB ALA 50 2.674 -3.381 -6.646 323 H ASP 51 H ASP 51 3.194 0.893 -6.639 324 HA ASP 51 HA ASP 51 1.042 0.363 -4.821 325 1HB ASP 51 1HB ASP 51 2.546 1.738 -3.751 326 2HB ASP 51 2HB ASP 51 3.082 2.507 -5.253 327 HD2 ASP 51 HD2 ASP 51 0.854 5.111 -4.875 328 H PHE 52 H PHE 52 1.084 0.818 -8.032 329 HA PHE 52 HA PHE 52 -1.014 2.867 -8.057 330 1HB PHE 52 1HB PHE 52 0.320 1.701 -10.514 331 2HB PHE 52 2HB PHE 52 -0.208 3.365 -10.242 332 HD1 PHE 52 1HD PHE 52 1.196 3.991 -7.718 333 HD2 PHE 52 2HD PHE 52 2.539 1.898 -11.158 334 HE1 PHE 52 1HE PHE 52 3.563 4.640 -7.190 335 HE2 PHE 52 2HE PHE 52 4.905 2.549 -10.629 336 HZ PHE 52 HZ PHE 52 5.390 3.911 -8.651 337 H SER 53 H SER 53 -2.802 1.537 -7.483 338 HA SER 53 HA SER 53 -3.682 -0.087 -9.677 339 1HB SER 53 1HB SER 53 -3.050 -2.019 -8.697 340 2HB SER 53 2HB SER 53 -2.706 -1.228 -7.147 341 HG SER 53 HG SER 53 -5.361 -1.897 -8.091 342 H SER 54 H SER 54 -5.258 1.635 -9.888 343 HA SER 54 HA SER 54 -6.693 2.847 -8.037 344 1HB SER 54 1HB SER 54 -6.846 2.940 -10.620 345 2HB SER 54 2HB SER 54 -8.088 1.685 -10.472 346 HG SER 54 HG SER 54 -8.673 4.130 -10.467 347 H VAL 55 H VAL 55 -8.834 2.516 -7.015 348 HA VAL 55 HA VAL 55 -10.110 0.002 -7.121 349 HB VAL 55 HB VAL 55 -7.942 -0.438 -5.822 350 1HG1 VAL 55 1HG1 VAL 55 -9.315 1.503 -4.033 351 2HG1 VAL 55 2HG1 VAL 55 -8.578 0.082 -3.254 352 3HG1 VAL 55 3HG1 VAL 55 -7.580 1.166 -4.251 353 1HG2 VAL 55 1HG2 VAL 55 -10.126 -1.247 -4.016 354 2HG2 VAL 55 2HG2 VAL 55 -10.438 -1.577 -5.737 355 3HG2 VAL 55 3HG2 VAL 55 -8.982 -2.236 -4.956 356 H THR 56 H THR 56 -12.133 0.070 -6.026 357 HA THR 56 HA THR 56 -12.697 2.603 -4.645 358 HB THR 56 HB THR 56 -13.636 1.716 -7.253 359 HG1 THR 56 1HG THR 56 -14.561 3.934 -6.974 360 1HG2 THR 56 1HG2 THR 56 -15.760 2.193 -5.096 361 2HG2 THR 56 2HG2 THR 56 -16.066 2.200 -6.850 362 3HG2 THR 56 3HG2 THR 56 -15.562 0.697 -6.040 363 H ALA 57 H ALA 57 -14.380 2.531 -3.075 364 HA ALA 57 HA ALA 57 -14.860 -0.218 -2.158 365 1HB ALA 57 1HB ALA 57 -15.427 1.531 -0.057 366 2HB ALA 57 2HB ALA 57 -13.929 0.596 -0.271 367 3HB ALA 57 3HB ALA 57 -14.020 2.274 -0.858 368 H ASP 58 H ASP 58 -16.998 -0.666 -1.201 369 HA ASP 58 HA ASP 58 -19.009 0.480 -2.818 370 1HB ASP 58 1HB ASP 58 -19.704 -1.147 -0.397 371 2HB ASP 58 2HB ASP 58 -20.353 -1.260 -2.041 372 HD2 ASP 58 HD2 ASP 58 -17.018 -2.993 -2.536 373 H ALA 59 H ALA 59 -21.041 1.496 -1.877 374 HA ALA 59 HA ALA 59 -20.608 3.681 -0.365 375 1HB ALA 59 1HB ALA 59 -23.157 3.230 0.292 376 2HB ALA 59 2HB ALA 59 -22.683 3.637 -1.375 377 3HB ALA 59 3HB ALA 59 -22.988 1.941 -0.923 378 H ASN 60 H ASN 60 -20.826 0.328 0.718 379 HA ASN 60 HA ASN 60 -21.201 1.116 3.443 380 1HB ASN 60 1HB ASN 60 -22.058 -1.056 2.289 381 2HB ASN 60 2HB ASN 60 -20.398 -1.655 2.446 382 1HD2 ASN 60 1HD2 ASN 60 -22.598 -2.872 3.625 383 2HD2 ASN 60 2HD2 ASN 60 -22.490 -2.755 5.350 384 H GLY 61 H GLY 61 -18.829 2.178 2.048 385 1HA GLY 61 1HA GLY 61 -16.576 2.297 2.168 386 2HA GLY 61 2HA GLY 61 -16.839 1.960 3.868 387 H SER 62 H SER 62 -17.577 -0.299 1.166 388 HA SER 62 HA SER 62 -15.837 -2.203 2.439 389 1HB SER 62 1HB SER 62 -17.119 -3.109 -0.024 390 2HB SER 62 2HB SER 62 -17.278 -3.749 1.621 391 HG SER 62 HG SER 62 -19.259 -2.937 1.496 392 H ALA 63 H ALA 63 -13.696 -1.630 1.913 393 HA ALA 63 HA ALA 63 -13.105 -1.183 -0.910 394 1HB ALA 63 1HB ALA 63 -10.768 -0.920 0.634 395 2HB ALA 63 2HB ALA 63 -11.794 0.395 0.011 396 3HB ALA 63 3HB ALA 63 -12.069 -0.248 1.646 397 H SER 64 H SER 64 -13.013 -3.155 -1.945 398 HA SER 64 HA SER 64 -11.428 -5.198 -0.604 399 1HB SER 64 1HB SER 64 -12.534 -6.780 -2.201 400 2HB SER 64 2HB SER 64 -13.679 -5.954 -1.130 401 HG SER 64 HG SER 64 -14.489 -5.933 -3.273 402 H THR 65 H THR 65 -9.393 -4.163 -1.269 403 HA THR 65 HA THR 65 -8.912 -4.267 -4.169 404 HB THR 65 HB THR 65 -8.582 -2.066 -3.006 405 HG1 THR 65 1HG THR 65 -6.081 -3.464 -3.627 406 1HG2 THR 65 1HG2 THR 65 -6.879 -1.766 -1.341 407 2HG2 THR 65 2HG2 THR 65 -7.783 -3.195 -0.782 408 3HG2 THR 65 3HG2 THR 65 -6.220 -3.397 -1.611 409 H SER 66 H SER 66 -7.881 -5.977 -4.965 410 HA SER 66 HA SER 66 -6.202 -7.435 -3.082 411 1HB SER 66 1HB SER 66 -7.006 -9.377 -3.920 412 2HB SER 66 2HB SER 66 -8.322 -8.382 -4.569 413 HG SER 66 HG SER 66 -5.888 -9.174 -5.932 414 H LEU 67 H LEU 67 -4.051 -7.989 -3.697 415 HA LEU 67 HA LEU 67 -3.097 -7.628 -6.320 416 1HB LEU 67 1HB LEU 67 -3.447 -5.242 -5.066 417 2HB LEU 67 2HB LEU 67 -1.761 -5.609 -4.657 418 HG LEU 67 HG LEU 67 -1.505 -6.040 -7.211 419 1HD1 LEU 67 1HD1 LEU 67 -4.200 -4.775 -7.048 420 2HD1 LEU 67 2HD1 LEU 67 -3.115 -4.267 -8.365 421 3HD1 LEU 67 3HD1 LEU 67 -3.560 -5.982 -8.190 422 1HD2 LEU 67 1HD2 LEU 67 -1.275 -3.696 -5.558 423 2HD2 LEU 67 2HD2 LEU 67 -0.256 -4.232 -6.916 424 3HD2 LEU 67 3HD2 LEU 67 -1.694 -3.229 -7.225 425 H THR 68 H THR 68 -0.415 -7.358 -5.966 426 HA THR 68 HA THR 68 0.165 -9.524 -4.058 427 HB THR 68 HB THR 68 0.459 -9.877 -6.598 428 HG1 THR 68 1HG THR 68 1.731 -11.255 -5.369 429 1HG2 THR 68 1HG2 THR 68 2.672 -8.993 -7.461 430 2HG2 THR 68 2HG2 THR 68 1.456 -7.712 -7.243 431 3HG2 THR 68 3HG2 THR 68 2.752 -7.926 -6.040 432 H VAL 69 H VAL 69 1.694 -9.295 -2.491 433 HA VAL 69 HA VAL 69 2.617 -6.576 -2.090 434 HB VAL 69 HB VAL 69 1.487 -8.087 -0.358 435 1HG1 VAL 69 1HG1 VAL 69 4.273 -9.172 0.074 436 2HG1 VAL 69 2HG1 VAL 69 2.733 -9.722 0.777 437 3HG1 VAL 69 3HG1 VAL 69 3.085 -10.028 -0.941 438 1HG2 VAL 69 1HG2 VAL 69 3.754 -7.277 1.161 439 2HG2 VAL 69 2HG2 VAL 69 3.534 -6.091 -0.150 440 3HG2 VAL 69 3HG2 VAL 69 2.192 -6.443 0.968 441 H ARG 70 H ARG 70 4.301 -6.206 -3.538 442 HA ARG 70 HA ARG 70 6.379 -8.205 -3.618 443 1HB ARG 70 1HB ARG 70 5.725 -5.735 -5.255 444 2HB ARG 70 2HB ARG 70 7.315 -6.507 -5.397 445 1HG ARG 70 1HG ARG 70 6.357 -8.549 -6.184 446 2HG ARG 70 2HG ARG 70 4.718 -8.069 -5.700 447 1HD ARG 70 1HD ARG 70 4.381 -7.112 -7.716 448 2HD ARG 70 2HD ARG 70 5.804 -6.079 -7.512 449 HE ARG 70 HE ARG 70 5.632 -8.554 -9.054 450 1HH1 ARG 70 1HH1 ARG 70 7.812 -6.402 -7.325 451 2HH1 ARG 70 2HH1 ARG 70 9.215 -6.912 -8.202 452 1HH2 ARG 70 1HH2 ARG 70 7.483 -9.230 -10.211 453 2HH2 ARG 70 2HH2 ARG 70 9.028 -8.531 -9.855 454 H ARG 71 H ARG 71 6.786 -7.554 -1.212 455 HA ARG 71 HA ARG 71 7.498 -5.315 -0.170 456 1HB ARG 71 1HB ARG 71 7.863 -7.366 1.041 457 2HB ARG 71 2HB ARG 71 9.115 -7.904 -0.094 458 1HG ARG 71 1HG ARG 71 10.017 -5.407 0.815 459 2HG ARG 71 2HG ARG 71 9.335 -6.166 2.265 460 1HD ARG 71 1HD ARG 71 11.607 -7.095 0.495 461 2HD ARG 71 2HD ARG 71 11.581 -6.924 2.256 462 HE ARG 71 HE ARG 71 9.642 -8.880 1.465 463 1HH1 ARG 71 1HH1 ARG 71 13.130 -8.450 1.650 464 2HH1 ARG 71 2HH1 ARG 71 13.456 -10.141 1.843 465 1HH2 ARG 71 1HH2 ARG 71 10.072 -11.112 1.720 466 2HH2 ARG 71 2HH2 ARG 71 11.704 -11.664 1.883 467 H SER 72 H SER 72 9.439 -7.020 -2.668 468 HA SER 72 HA SER 72 11.403 -4.899 -2.557 469 1HB SER 72 1HB SER 72 11.632 -7.623 -2.935 470 2HB SER 72 2HB SER 72 11.737 -7.018 -4.600 471 HG SER 72 HG SER 72 13.598 -6.926 -2.565 472 H PHE 73 H PHE 73 11.628 -3.349 -4.189 473 HA PHE 73 HA PHE 73 11.015 -3.481 -6.780 474 1HB PHE 73 1HB PHE 73 8.637 -2.291 -6.626 475 2HB PHE 73 2HB PHE 73 8.709 -4.049 -6.478 476 HD1 PHE 73 1HD PHE 73 6.415 -3.657 -5.414 477 HD2 PHE 73 2HD PHE 73 10.042 -2.357 -3.635 478 HE1 PHE 73 1HE PHE 73 5.267 -3.503 -3.187 479 HE2 PHE 73 2HE PHE 73 8.895 -2.203 -1.408 480 HZ PHE 73 HZ PHE 73 6.522 -2.778 -1.209 481 H GLU 74 H GLU 74 11.761 -1.603 -7.689 482 HA GLU 74 HA GLU 74 12.257 0.553 -5.858 483 1HB GLU 74 1HB GLU 74 14.007 -0.293 -7.426 484 2HB GLU 74 2HB GLU 74 13.032 0.270 -8.795 485 1HG GLU 74 1HG GLU 74 13.143 2.590 -7.879 486 2HG GLU 74 2HG GLU 74 14.166 2.010 -6.554 487 HE2 GLU 74 HE2 GLU 74 16.760 2.831 -8.690 488 H GLY 75 H GLY 75 10.559 1.934 -5.499 489 1HA GLY 75 1HA GLY 75 8.748 2.541 -7.721 490 2HA GLY 75 2HA GLY 75 8.482 2.856 -6.019 491 H PHE 76 H PHE 76 8.029 5.087 -6.211 492 HA PHE 76 HA PHE 76 10.374 6.692 -6.924 493 1HB PHE 76 1HB PHE 76 7.411 7.272 -7.487 494 2HB PHE 76 2HB PHE 76 8.766 8.283 -8.001 495 HD1 PHE 76 1HD PHE 76 7.426 4.822 -8.384 496 HD2 PHE 76 2HD PHE 76 9.610 8.009 -10.139 497 HE1 PHE 76 1HE PHE 76 7.532 3.556 -10.547 498 HE2 PHE 76 2HE PHE 76 9.717 6.742 -12.304 499 HZ PHE 76 HZ PHE 76 8.676 4.531 -12.481 500 H LEU 77 H LEU 77 10.610 8.671 -5.737 501 HA LEU 77 HA LEU 77 9.194 8.587 -3.198 502 1HB LEU 77 1HB LEU 77 11.453 10.417 -3.928 503 2HB LEU 77 2HB LEU 77 10.941 9.865 -2.324 504 HG LEU 77 HG LEU 77 11.952 7.857 -4.304 505 1HD1 LEU 77 1HD1 LEU 77 13.951 8.791 -4.525 506 2HD1 LEU 77 2HD1 LEU 77 13.480 10.146 -3.470 507 3HD1 LEU 77 3HD1 LEU 77 14.178 8.668 -2.764 508 1HD2 LEU 77 1HD2 LEU 77 13.001 7.115 -1.978 509 2HD2 LEU 77 2HD2 LEU 77 11.663 8.102 -1.346 510 3HD2 LEU 77 3HD2 LEU 77 11.323 6.731 -2.427 511 H PHE 78 H PHE 78 8.834 10.980 -2.264 512 HA PHE 78 HA PHE 78 6.769 12.049 -3.821 513 1HB PHE 78 1HB PHE 78 6.537 13.464 -1.920 514 2HB PHE 78 2HB PHE 78 7.405 12.093 -1.226 515 HD1 PHE 78 1HD PHE 78 10.062 12.338 -1.407 516 HD2 PHE 78 2HD PHE 78 7.308 15.569 -1.440 517 HE1 PHE 78 1HE PHE 78 11.877 13.896 -0.643 518 HE2 PHE 78 2HE PHE 78 9.123 17.123 -0.677 519 HZ PHE 78 HZ PHE 78 11.387 16.269 -0.286 520 H ASP 79 H ASP 79 10.247 12.741 -3.598 521 HA ASP 79 HA ASP 79 10.154 15.319 -4.612 522 1HB ASP 79 1HB ASP 79 12.147 14.390 -3.541 523 2HB ASP 79 2HB ASP 79 12.294 13.148 -4.795 524 HD2 ASP 79 HD2 ASP 79 13.755 15.408 -7.019 525 H GLY 80 H GLY 80 10.452 12.038 -6.111 526 1HA GLY 80 1HA GLY 80 9.135 12.008 -8.285 527 2HA GLY 80 2HA GLY 80 10.250 13.263 -8.790 528 H THR 81 H THR 81 12.105 11.477 -6.716 529 HA THR 81 HA THR 81 13.587 10.279 -8.803 530 HB THR 81 HB THR 81 13.627 10.321 -5.765 531 HG1 THR 81 1HG THR 81 14.488 12.033 -7.248 532 1HG2 THR 81 1HG2 THR 81 14.424 8.033 -6.370 533 2HG2 THR 81 2HG2 THR 81 15.492 8.734 -7.609 534 3HG2 THR 81 3HG2 THR 81 15.793 9.065 -5.885 535 H ARG 82 H ARG 82 14.195 7.927 -8.867 536 HA ARG 82 HA ARG 82 11.719 6.436 -8.650 537 1HB ARG 82 1HB ARG 82 13.054 6.689 -10.866 538 2HB ARG 82 2HB ARG 82 14.214 5.552 -10.161 539 1HG ARG 82 1HG ARG 82 11.876 4.233 -9.678 540 2HG ARG 82 2HG ARG 82 11.435 5.094 -11.162 541 1HD ARG 82 1HD ARG 82 12.965 3.919 -12.446 542 2HD ARG 82 2HD ARG 82 14.104 3.704 -11.108 543 HE ARG 82 HE ARG 82 11.944 2.184 -10.328 544 1HH1 ARG 82 1HH1 ARG 82 13.822 2.319 -13.301 545 2HH1 ARG 82 2HH1 ARG 82 13.561 0.650 -13.691 546 1HH2 ARG 82 1HH2 ARG 82 11.600 -0.015 -10.841 547 2HH2 ARG 82 2HH2 ARG 82 12.289 -0.686 -12.283 548 H TRP 83 H TRP 83 12.182 6.225 -6.245 549 HA TRP 83 HA TRP 83 14.252 4.197 -5.748 550 1HB TRP 83 1HB TRP 83 14.711 6.252 -4.595 551 2HB TRP 83 2HB TRP 83 13.082 6.296 -3.918 552 HD1 TRP 83 HD TRP 83 12.596 3.884 -2.300 553 HE1 TRP 83 1HE TRP 83 14.125 2.835 -0.423 554 HE3 TRP 83 3HE TRP 83 16.915 6.066 -3.863 555 HZ2 TRP 83 2HZ TRP 83 16.907 3.031 0.185 556 HZ3 TRP 83 3HZ TRP 83 18.993 5.584 -2.573 557 HH2 TRP 83 HH TRP 83 19.034 4.125 -0.612 558 H GLY 84 H GLY 84 11.377 5.274 -3.842 559 1HA GLY 84 1HA GLY 84 9.632 4.130 -3.014 560 2HA GLY 84 2HA GLY 84 9.592 3.275 -4.542 561 H THR 85 H THR 85 10.875 3.259 -1.204 562 HA THR 85 HA THR 85 11.834 1.657 0.025 563 HB THR 85 HB THR 85 9.535 0.392 -1.467 564 HG1 THR 85 1HG THR 85 9.726 1.855 0.595 565 1HG2 THR 85 1HG2 THR 85 10.846 -1.610 -1.248 566 2HG2 THR 85 2HG2 THR 85 11.568 -1.060 0.284 567 3HG2 THR 85 3HG2 THR 85 9.862 -1.566 0.233 568 H VAL 86 H VAL 86 11.287 -0.326 -2.948 569 HA VAL 86 HA VAL 86 12.808 -1.110 -4.409 570 HB VAL 86 HB VAL 86 15.082 -0.222 -2.655 571 1HG1 VAL 86 1HG1 VAL 86 15.966 0.207 -5.108 572 2HG1 VAL 86 2HG1 VAL 86 15.976 -1.428 -4.402 573 3HG1 VAL 86 3HG1 VAL 86 14.687 -0.956 -5.537 574 1HG2 VAL 86 1HG2 VAL 86 14.558 1.933 -2.876 575 2HG2 VAL 86 2HG2 VAL 86 14.609 1.754 -4.646 576 3HG2 VAL 86 3HG2 VAL 86 13.080 1.503 -3.769 577 H ASP 87 H ASP 87 13.405 -1.439 -0.878 578 HA ASP 87 HA ASP 87 13.238 -4.271 -1.211 579 1HB ASP 87 1HB ASP 87 15.744 -3.347 -1.409 580 2HB ASP 87 2HB ASP 87 15.630 -3.309 0.358 581 HD2 ASP 87 HD2 ASP 87 16.851 -6.556 -0.964 582 H CYS 88 H CYS 88 11.292 -3.751 0.114 583 HA CYS 88 HA CYS 88 11.527 -2.396 2.565 584 1HB CYS 88 1HB CYS 88 9.468 -3.455 0.953 585 2HB CYS 88 2HB CYS 88 9.291 -4.201 2.544 586 H THR 89 H THR 89 13.649 -3.859 2.938 587 HA THR 89 HA THR 89 12.978 -6.448 4.078 588 HB THR 89 HB THR 89 14.984 -6.028 2.561 589 HG1 THR 89 1HG THR 89 15.633 -6.660 5.345 590 1HG2 THR 89 1HG2 THR 89 15.673 -4.234 4.899 591 2HG2 THR 89 2HG2 THR 89 16.981 -5.166 4.132 592 3HG2 THR 89 3HG2 THR 89 16.030 -4.009 3.170 593 H THR 90 H THR 90 12.946 -3.219 5.090 594 HA THR 90 HA THR 90 12.818 -4.095 7.848 595 HB THR 90 HB THR 90 14.978 -2.266 6.719 596 HG1 THR 90 1HG THR 90 16.060 -3.747 8.402 597 1HG2 THR 90 1HG2 THR 90 13.718 -2.298 9.481 598 2HG2 THR 90 2HG2 THR 90 15.470 -2.040 9.321 599 3HG2 THR 90 3HG2 THR 90 14.330 -0.909 8.553 600 H ALA 91 H ALA 91 12.678 -1.409 5.448 601 HA ALA 91 HA ALA 91 11.212 0.337 7.044 602 1HB ALA 91 1HB ALA 91 12.158 0.128 4.339 603 2HB ALA 91 2HB ALA 91 10.449 0.623 4.303 604 3HB ALA 91 3HB ALA 91 11.635 1.580 5.224 605 H ALA 92 H ALA 92 8.975 0.710 7.304 606 HA ALA 92 HA ALA 92 7.365 -1.663 6.812 607 1HB ALA 92 1HB ALA 92 5.908 0.363 8.180 608 2HB ALA 92 2HB ALA 92 6.607 -1.128 8.856 609 3HB ALA 92 3HB ALA 92 7.559 0.377 8.846 610 H CYS 93 H CYS 93 6.324 -1.782 4.887 611 HA CYS 93 HA CYS 93 5.664 0.696 3.545 612 1HB CYS 93 1HB CYS 93 4.806 -1.652 2.135 613 2HB CYS 93 2HB CYS 93 5.993 -0.428 1.671 614 H GLN 94 H GLN 94 3.582 1.521 3.521 615 HA GLN 94 HA GLN 94 1.599 -0.059 4.910 616 1HB GLN 94 1HB GLN 94 1.700 2.870 4.109 617 2HB GLN 94 2HB GLN 94 0.309 2.129 4.919 618 1HG GLN 94 1HG GLN 94 1.446 1.883 6.926 619 2HG GLN 94 2HG GLN 94 3.031 1.742 6.149 620 1HE2 GLN 94 1HE2 GLN 94 4.238 3.310 6.911 621 2HE2 GLN 94 2HE2 GLN 94 3.830 4.990 7.008 622 H VAL 95 H VAL 95 0.307 -1.351 3.675 623 HA VAL 95 HA VAL 95 -0.087 -0.649 0.889 624 HB VAL 95 HB VAL 95 -1.308 -3.033 2.208 625 1HG1 VAL 95 1HG1 VAL 95 -0.380 -2.208 -0.493 626 2HG1 VAL 95 2HG1 VAL 95 -0.146 -3.919 -0.060 627 3HG1 VAL 95 3HG1 VAL 95 -1.776 -3.202 -0.009 628 1HG2 VAL 95 1HG2 VAL 95 0.807 -3.172 3.243 629 2HG2 VAL 95 2HG2 VAL 95 0.923 -4.226 1.813 630 3HG2 VAL 95 3HG2 VAL 95 1.654 -2.603 1.785 631 H GLY 96 H GLY 96 -1.581 0.955 0.598 632 1HA GLY 96 1HA GLY 96 -4.301 0.392 1.427 633 2HA GLY 96 2HA GLY 96 -3.579 1.807 2.171 634 H LEU 97 H LEU 97 -5.710 2.423 0.699 635 HA LEU 97 HA LEU 97 -4.664 3.200 -1.933 636 1HB LEU 97 1HB LEU 97 -7.222 3.596 -2.281 637 2HB LEU 97 2HB LEU 97 -6.499 1.990 -2.466 638 HG LEU 97 HG LEU 97 -7.769 2.884 0.120 639 1HD1 LEU 97 1HD1 LEU 97 -9.259 3.002 -2.064 640 2HD1 LEU 97 2HD1 LEU 97 -9.333 1.239 -1.824 641 3HD1 LEU 97 3HD1 LEU 97 -9.887 2.336 -0.537 642 1HD2 LEU 97 1HD2 LEU 97 -7.349 0.824 0.848 643 2HD2 LEU 97 2HD2 LEU 97 -7.989 0.082 -0.636 644 3HD2 LEU 97 3HD2 LEU 97 -6.299 0.634 -0.575 645 H SER 98 H SER 98 -4.174 5.303 -2.247 646 HA SER 98 HA SER 98 -5.146 7.141 -0.217 647 1HB SER 98 1HB SER 98 -2.634 6.818 -1.691 648 2HB SER 98 2HB SER 98 -3.227 8.486 -1.761 649 HG SER 98 HG SER 98 -1.855 7.426 0.202 650 H ASP 99 H ASP 99 -6.045 9.224 -0.869 651 HA ASP 99 HA ASP 99 -7.913 9.190 -2.729 652 1HB ASP 99 1HB ASP 99 -6.308 11.731 -2.524 653 2HB ASP 99 2HB ASP 99 -8.066 11.521 -2.474 654 HD2 ASP 99 HD2 ASP 99 -6.775 12.331 0.848 655 H ALA 100 H ALA 100 -8.046 10.396 -4.927 656 HA ALA 100 HA ALA 100 -6.031 9.421 -6.648 657 1HB ALA 100 1HB ALA 100 -7.453 11.155 -8.180 658 2HB ALA 100 2HB ALA 100 -8.023 9.522 -7.762 659 3HB ALA 100 3HB ALA 100 -8.593 10.928 -6.833 660 H ALA 101 H ALA 101 -6.174 12.132 -4.572 661 HA ALA 101 HA ALA 101 -4.588 13.835 -6.297 662 1HB ALA 101 1HB ALA 101 -4.675 15.313 -4.209 663 2HB ALA 101 2HB ALA 101 -6.237 14.955 -4.985 664 3HB ALA 101 3HB ALA 101 -5.757 14.087 -3.507 665 H GLY 102 H GLY 102 -4.183 11.295 -3.954 666 1HA GLY 102 1HA GLY 102 -2.194 10.246 -3.478 667 2HA GLY 102 2HA GLY 102 -1.296 11.612 -4.109 668 H ASN 103 H ASN 103 -3.919 11.472 -1.602 669 HA ASN 103 HA ASN 103 -1.931 12.328 0.330 670 1HB ASN 103 1HB ASN 103 -4.698 13.547 0.400 671 2HB ASN 103 2HB ASN 103 -3.184 14.205 1.043 672 1HD2 ASN 103 1HD2 ASN 103 -1.456 14.476 -0.751 673 2HD2 ASN 103 2HD2 ASN 103 -1.971 15.308 -2.179 674 H GLY 104 H GLY 104 -2.439 11.588 2.508 675 1HA GLY 104 1HA GLY 104 -4.105 10.776 4.054 676 2HA GLY 104 2HA GLY 104 -4.864 9.911 2.732 677 HA PRO 105 HA PRO 105 -1.004 7.650 4.369 678 1HB PRO 105 1HB PRO 105 -0.926 7.573 7.099 679 2HB PRO 105 2HB PRO 105 0.053 8.679 6.137 680 1HG PRO 105 1HG PRO 105 -2.398 9.184 7.700 681 2HG PRO 105 2HG PRO 105 -1.162 10.365 7.137 682 1HD PRO 105 1HD PRO 105 -3.784 9.896 6.084 683 2HD PRO 105 2HD PRO 105 -2.545 10.956 5.399 684 H GLU 106 H GLU 106 -3.146 6.625 3.374 685 HA GLU 106 HA GLU 106 -4.290 4.897 5.370 686 1HB GLU 106 1HB GLU 106 -5.157 6.044 2.905 687 2HB GLU 106 2HB GLU 106 -5.198 4.285 2.695 688 1HG GLU 106 1HG GLU 106 -7.227 4.443 3.712 689 2HG GLU 106 2HG GLU 106 -6.292 4.554 5.210 690 HE2 GLU 106 HE2 GLU 106 -6.907 7.993 5.479 691 H GLY 107 H GLY 107 -4.178 2.575 5.303 692 1HA GLY 107 1HA GLY 107 -3.391 0.705 3.805 693 2HA GLY 107 2HA GLY 107 -1.873 1.578 3.746 694 H VAL 108 H VAL 108 -2.241 -1.122 4.773 695 HA VAL 108 HA VAL 108 -1.890 -0.717 7.652 696 HB VAL 108 HB VAL 108 -3.561 -2.377 6.509 697 1HG1 VAL 108 1HG1 VAL 108 -2.691 -4.585 6.080 698 2HG1 VAL 108 2HG1 VAL 108 -1.786 -3.422 5.082 699 3HG1 VAL 108 3HG1 VAL 108 -1.053 -4.086 6.561 700 1HG2 VAL 108 1HG2 VAL 108 -1.830 -3.472 8.738 701 2HG2 VAL 108 2HG2 VAL 108 -2.940 -2.102 8.974 702 3HG2 VAL 108 3HG2 VAL 108 -3.578 -3.686 8.477 703 H ALA 109 H ALA 109 0.006 -1.404 8.714 704 HA ALA 109 HA ALA 109 2.347 -1.279 7.128 705 1HB ALA 109 1HB ALA 109 2.313 -2.295 9.963 706 2HB ALA 109 2HB ALA 109 3.449 -1.177 9.170 707 3HB ALA 109 3HB ALA 109 1.830 -0.612 9.637 708 H ILE 110 H ILE 110 2.492 -2.949 5.621 709 HA ILE 110 HA ILE 110 1.976 -5.647 6.440 710 HB ILE 110 HB ILE 110 2.296 -4.163 3.989 711 1HG1 ILE 110 1HG1 ILE 110 1.071 -6.220 3.126 712 2HG1 ILE 110 2HG1 ILE 110 1.076 -6.807 4.800 713 1HG2 ILE 110 1HG2 ILE 110 3.366 -5.956 2.660 714 2HG2 ILE 110 2HG2 ILE 110 4.480 -5.178 3.810 715 3HG2 ILE 110 3HG2 ILE 110 3.805 -6.784 4.173 716 1HD1 ILE 110 1HD1 ILE 110 -0.596 -4.763 3.537 717 2HD1 ILE 110 2HD1 ILE 110 -0.804 -5.578 5.105 718 3HD1 ILE 110 3HD1 ILE 110 0.223 -4.129 4.985 719 H SER 111 H SER 111 3.628 -7.397 6.209 720 HA SER 111 HA SER 111 6.247 -7.110 5.903 721 1HB SER 111 1HB SER 111 5.415 -5.883 8.449 722 2HB SER 111 2HB SER 111 6.698 -7.090 8.648 723 HG SER 111 HG SER 111 7.729 -5.134 8.248 724 H PHE 112 H PHE 112 4.729 -8.191 9.020 725 HA PHE 112 HA PHE 112 4.400 -10.859 8.092 726 1HB PHE 112 1HB PHE 112 6.975 -10.178 8.792 727 2HB PHE 112 2HB PHE 112 6.344 -10.586 10.391 728 HD1 PHE 112 1HD PHE 112 8.266 -11.869 7.957 729 HD2 PHE 112 2HD PHE 112 4.719 -12.878 10.055 730 HE1 PHE 112 1HE PHE 112 8.674 -14.301 7.479 731 HE2 PHE 112 2HE PHE 112 5.126 -15.308 9.577 732 HZ PHE 112 HZ PHE 112 7.100 -15.989 8.294 733 H ASN 113 H ASN 113 3.035 -12.037 9.466 734 HA ASN 113 HA ASN 113 1.536 -10.549 11.244 735 1HB ASN 113 1HB ASN 113 0.450 -12.680 11.802 736 2HB ASN 113 2HB ASN 113 0.773 -12.646 10.062 737 1HD2 ASN 113 1HD2 ASN 113 1.449 -14.492 9.317 738 2HD2 ASN 113 2HD2 ASN 113 2.480 -15.638 10.106 739 6H NCZ 130 6H NCZ 130 1.904 14.016 -0.130 740 6H1 NCZ 130 6H1 NCZ 130 0.011 11.836 0.252 741 5H1 NCZ 130 5H1 NCZ 130 1.334 12.540 2.429 742 4H1 NCZ 130 4H1 NCZ 130 3.879 11.593 1.943 743 5H NCZ 130 5H NCZ 130 4.216 11.828 -1.666 744 3H1 NCZ 130 3H1 NCZ 130 3.657 10.227 -0.064 745 2H1 NCZ 130 2H1 NCZ 130 2.162 11.568 -1.569 746 2H NCZ 130 2H NCZ 130 0.718 8.435 -4.560 747 8H NCZ 130 8H NCZ 130 -0.282 5.402 -4.216 748 7H NCZ 130 7H NCZ 130 -1.176 4.359 -2.162 749 3H NCZ 130 3H NCZ 130 -0.746 5.244 2.437 750 1H17 NCZ 130 1H17 NCZ 130 1.314 8.770 4.300 751 2H17 NCZ 130 2H17 NCZ 130 2.076 8.886 2.697 752 3H17 NCZ 130 3H17 NCZ 130 0.382 9.378 2.912 753 1H18 NCZ 130 1H18 NCZ 130 -1.344 3.397 -0.615 754 2H18 NCZ 130 2H18 NCZ 130 -1.361 3.383 1.163 755 3H18 NCZ 130 3H18 NCZ 130 -2.601 4.290 0.270 756 1H NCZ 130 1H NCZ 130 1.501 8.335 0.598
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