NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11496 | 1rk7 | 4202 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HN ALA 1 -8.293 -6.850 -11.402 2 HA ALA 1 HA ALA 1 -8.100 -7.870 -13.861 3 1HB ALA 1 1HB ALA 1 -8.790 -4.914 -14.128 4 2HB ALA 1 2HB ALA 1 -8.279 -5.996 -15.446 5 3HB ALA 1 3HB ALA 1 -9.833 -6.269 -14.622 6 H THR 2 HN THR 2 -7.300 -4.595 -12.485 7 HA THR 2 HA THR 2 -4.502 -5.064 -13.087 8 HB THR 2 HB THR 2 -4.468 -2.657 -11.997 9 HG1 THR 2 1HG THR 2 -6.661 -1.805 -11.935 10 1HG2 THR 2 1HG2 THR 2 -4.381 -2.931 -14.467 11 2HG2 THR 2 2HG2 THR 2 -6.137 -3.224 -14.505 12 3HG2 THR 2 3HG2 THR 2 -5.511 -1.623 -14.041 13 H LYS 3 HN LYS 3 -3.360 -6.367 -11.794 14 HA LYS 3 HA LYS 3 -3.892 -6.127 -8.915 15 1HB LYS 3 2HB LYS 3 -4.438 -8.334 -9.731 16 2HB LYS 3 3HB LYS 3 -2.896 -8.475 -10.550 17 1HG LYS 3 2HG LYS 3 -2.166 -7.841 -7.913 18 2HG LYS 3 3HG LYS 3 -3.548 -8.897 -7.703 19 1HD LYS 3 2HD LYS 3 -2.509 -10.667 -9.003 20 2HD LYS 3 3HD LYS 3 -1.236 -9.600 -9.562 21 1HE LYS 3 2HE LYS 3 -0.032 -10.500 -7.831 22 2HE LYS 3 3HE LYS 3 -0.909 -9.345 -6.847 23 1HZ LYS 3 1HZ LYS 3 -1.185 -11.448 -5.886 24 2HZ LYS 3 2HZ LYS 3 -2.621 -11.104 -6.585 25 3HZ LYS 3 3HZ LYS 3 -1.598 -12.160 -7.296 26 H ALA 4 HN ALA 4 -2.530 -4.316 -8.575 27 HA ALA 4 HA ALA 4 0.211 -4.502 -9.466 28 1HB ALA 4 1HB ALA 4 -1.651 -2.450 -8.688 29 2HB ALA 4 2HB ALA 4 -0.210 -2.339 -7.649 30 3HB ALA 4 3HB ALA 4 -0.038 -2.272 -9.420 31 H VAL 5 HN VAL 5 1.998 -4.086 -7.802 32 HA VAL 5 HA VAL 5 1.354 -5.145 -5.173 33 HB VAL 5 HB VAL 5 3.652 -6.341 -6.681 34 1HG1 VAL 5 1HG1 VAL 5 1.956 -7.140 -4.305 35 2HG1 VAL 5 2HG1 VAL 5 3.059 -8.273 -5.121 36 3HG1 VAL 5 3HG1 VAL 5 3.702 -6.799 -4.358 37 1HG2 VAL 5 1HG2 VAL 5 0.780 -7.324 -6.783 38 2HG2 VAL 5 2HG2 VAL 5 1.756 -6.735 -8.150 39 3HG2 VAL 5 3HG2 VAL 5 2.201 -8.249 -7.326 40 H ALA 6 HN ALA 6 3.091 -4.717 -3.598 41 HA ALA 6 HA ALA 6 5.266 -3.050 -4.473 42 1HB ALA 6 1HB ALA 6 3.767 -1.255 -4.377 43 2HB ALA 6 2HB ALA 6 2.847 -1.963 -3.028 44 3HB ALA 6 3HB ALA 6 4.456 -1.260 -2.736 45 H VAL 7 HN VAL 7 6.639 -4.611 -3.565 46 HA VAL 7 HA VAL 7 6.156 -5.494 -0.869 47 HB VAL 7 HB VAL 7 8.336 -5.989 -2.899 48 1HG1 VAL 7 1HG1 VAL 7 8.216 -6.631 -0.006 49 2HG1 VAL 7 2HG1 VAL 7 8.683 -7.971 -1.080 50 3HG1 VAL 7 3HG1 VAL 7 9.617 -6.456 -1.089 51 1HG2 VAL 7 1HG2 VAL 7 5.850 -7.421 -2.040 52 2HG2 VAL 7 2HG2 VAL 7 6.547 -7.211 -3.664 53 3HG2 VAL 7 3HG2 VAL 7 7.261 -8.387 -2.535 54 H LEU 8 HN LEU 8 6.366 -3.859 0.628 55 HA LEU 8 HA LEU 8 7.967 -1.674 0.486 56 1HB LEU 8 2HB LEU 8 6.696 -3.242 2.642 57 2HB LEU 8 3HB LEU 8 8.001 -2.188 3.148 58 HG LEU 8 HG LEU 8 5.759 -1.157 3.337 59 1HD1 LEU 8 1HD1 LEU 8 6.342 0.978 2.105 60 2HD1 LEU 8 2HD1 LEU 8 7.577 0.351 3.222 61 3HD1 LEU 8 3HD1 LEU 8 7.763 0.117 1.468 62 1HD2 LEU 8 1HD2 LEU 8 5.228 -0.393 0.670 63 2HD2 LEU 8 2HD2 LEU 8 5.472 -2.157 0.658 64 3HD2 LEU 8 3HD2 LEU 8 4.252 -1.434 1.735 65 H LYS 9 HN LYS 9 10.085 -1.104 1.148 66 HA LYS 9 HA LYS 9 11.868 -2.845 2.359 67 1HB LYS 9 2HB LYS 9 11.683 -4.268 0.413 68 2HB LYS 9 3HB LYS 9 11.980 -2.923 -0.668 69 1HG LYS 9 2HG LYS 9 14.174 -2.793 1.050 70 2HG LYS 9 3HG LYS 9 13.904 -4.520 0.923 71 1HD LYS 9 2HD LYS 9 13.904 -4.316 -1.586 72 2HD LYS 9 3HD LYS 9 14.229 -2.600 -1.432 73 1HE LYS 9 2HE LYS 9 16.395 -2.996 -0.429 74 2HE LYS 9 3HE LYS 9 16.044 -4.692 -0.160 75 1HZ LYS 9 1HZ LYS 9 17.152 -3.527 -2.409 76 2HZ LYS 9 2HZ LYS 9 16.830 -5.108 -2.156 77 3HZ LYS 9 3HZ LYS 9 15.712 -4.149 -2.862 78 H GLY 10 HN GLY 10 13.656 -1.679 3.004 79 1HA GLY 10 1HA GLY 10 14.903 0.360 1.620 80 2HA GLY 10 2HA GLY 10 13.619 1.127 2.533 81 H ASP 11 HN ASP 11 13.714 1.239 4.825 82 HA ASP 11 HA ASP 11 16.012 1.617 6.017 83 1HB ASP 11 2HB ASP 11 13.707 1.868 7.029 84 2HB ASP 11 3HB ASP 11 13.682 0.143 7.332 85 H GLY 12 HN GLY 12 14.301 -1.571 5.733 86 1HA GLY 12 1HA GLY 12 16.159 -3.321 5.240 87 2HA GLY 12 2HA GLY 12 16.623 -2.949 6.888 88 HA PRO 13 HA PRO 13 13.369 -5.390 8.426 89 1HB PRO 13 2HB PRO 13 12.161 -3.956 10.414 90 2HB PRO 13 3HB PRO 13 13.698 -4.772 10.620 91 1HG PRO 13 2HG PRO 13 13.162 -1.884 10.282 92 2HG PRO 13 3HG PRO 13 14.601 -2.668 10.903 93 1HD PRO 13 2HD PRO 13 14.263 -1.517 8.298 94 2HD PRO 13 3HD PRO 13 15.659 -2.403 8.879 95 H VAL 14 HN VAL 14 12.181 -2.174 7.709 96 HA VAL 14 HA VAL 14 9.489 -2.879 7.564 97 HB VAL 14 HB VAL 14 11.162 -0.713 6.301 98 1HG1 VAL 14 1HG1 VAL 14 9.291 -1.089 4.794 99 2HG1 VAL 14 2HG1 VAL 14 8.147 -1.050 6.156 100 3HG1 VAL 14 3HG1 VAL 14 9.039 0.422 5.701 101 1HG2 VAL 14 1HG2 VAL 14 9.576 -1.042 8.792 102 2HG2 VAL 14 2HG2 VAL 14 11.032 -0.067 8.473 103 3HG2 VAL 14 3HG2 VAL 14 9.433 0.530 7.969 104 H GLN 15 HN GLN 15 9.135 -4.848 6.497 105 HA GLN 15 HA GLN 15 9.774 -4.743 3.651 106 1HB GLN 15 2HB GLN 15 11.007 -6.495 5.113 107 2HB GLN 15 3HB GLN 15 9.462 -7.311 5.248 108 1HG GLN 15 2HG GLN 15 9.397 -7.136 2.619 109 2HG GLN 15 3HG GLN 15 11.115 -6.819 2.749 110 1HE2 GLN 15 1HE2 GLN 15 8.692 -8.997 4.200 111 2HE2 GLN 15 2HE2 GLN 15 9.606 -10.462 4.066 112 H GLY 16 HN GLY 16 7.412 -3.601 4.861 113 1HA GLY 16 1HA GLY 16 5.170 -5.111 5.091 114 2HA GLY 16 2HA GLY 16 5.211 -3.514 4.370 115 H ILE 17 HN ILE 17 3.299 -5.273 3.453 116 HA ILE 17 HA ILE 17 4.241 -5.718 0.736 117 HB ILE 17 HB ILE 17 3.037 -7.829 2.515 118 1HG1 ILE 17 2HG1 ILE 17 5.432 -8.080 0.700 119 2HG1 ILE 17 3HG1 ILE 17 5.585 -7.391 2.304 120 1HG2 ILE 17 1HG2 ILE 17 3.386 -8.939 -0.022 121 2HG2 ILE 17 2HG2 ILE 17 1.847 -8.575 0.794 122 3HG2 ILE 17 3HG2 ILE 17 2.571 -7.383 -0.313 123 1HD1 ILE 17 1HD1 ILE 17 5.306 -10.187 1.530 124 2HD1 ILE 17 2HD1 ILE 17 5.721 -9.499 3.118 125 3HD1 ILE 17 3HD1 ILE 17 4.015 -9.724 2.664 126 H ILE 18 HN ILE 18 2.998 -4.200 -0.264 127 HA ILE 18 HA ILE 18 0.136 -4.254 0.402 128 HB ILE 18 HB ILE 18 0.625 -2.152 1.025 129 1HG1 ILE 18 2HG1 ILE 18 0.021 -0.560 -0.648 130 2HG1 ILE 18 3HG1 ILE 18 0.589 -1.590 -1.947 131 1HG2 ILE 18 1HG2 ILE 18 3.073 -2.486 0.632 132 2HG2 ILE 18 2HG2 ILE 18 2.832 -1.905 -1.033 133 3HG2 ILE 18 3HG2 ILE 18 2.496 -0.827 0.342 134 1HD1 ILE 18 1HD1 ILE 18 -1.427 -2.609 -2.072 135 2HD1 ILE 18 2HD1 ILE 18 -1.326 -3.075 -0.357 136 3HD1 ILE 18 3HD1 ILE 18 -2.027 -1.504 -0.812 137 H ASN 19 HN ASN 19 -1.257 -4.819 -1.201 138 HA ASN 19 HA ASN 19 -0.112 -4.875 -3.882 139 1HB ASN 19 2HB ASN 19 -2.372 -6.739 -3.221 140 2HB ASN 19 3HB ASN 19 -0.988 -7.007 -4.261 141 1HD2 ASN 19 1HD2 ASN 19 0.517 -8.314 -3.565 142 2HD2 ASN 19 2HD2 ASN 19 0.848 -8.757 -1.924 143 H PHE 20 HN PHE 20 -1.615 -4.266 -5.607 144 HA PHE 20 HA PHE 20 -4.069 -3.011 -4.595 145 1HB PHE 20 2HB PHE 20 -1.934 -2.345 -6.648 146 2HB PHE 20 3HB PHE 20 -3.566 -1.826 -7.017 147 HD1 PHE 20 HD1 PHE 20 -1.466 -1.853 -3.920 148 HD2 PHE 20 HD2 PHE 20 -3.885 0.404 -6.577 149 HE1 PHE 20 HE1 PHE 20 -1.143 0.182 -2.486 150 HE2 PHE 20 HE2 PHE 20 -3.562 2.439 -5.144 151 HZ PHE 20 HZ PHE 20 -2.195 2.303 -3.115 152 H GLU 21 HN GLU 21 -5.839 -4.215 -5.099 153 HA GLU 21 HA GLU 21 -5.769 -5.554 -7.691 154 1HB GLU 21 2HB GLU 21 -5.908 -6.915 -5.440 155 2HB GLU 21 3HB GLU 21 -7.583 -6.400 -5.416 156 1HG GLU 21 2HG GLU 21 -8.074 -8.098 -6.834 157 2HG GLU 21 3HG GLU 21 -7.142 -7.283 -8.074 158 H GLN 22 HN GLN 22 -7.559 -5.312 -9.093 159 HA GLN 22 HA GLN 22 -9.766 -3.743 -8.081 160 1HB GLN 22 2HB GLN 22 -8.014 -2.193 -9.116 161 2HB GLN 22 3HB GLN 22 -8.327 -2.974 -10.653 162 1HG GLN 22 2HG GLN 22 -10.896 -2.343 -9.633 163 2HG GLN 22 3HG GLN 22 -9.912 -0.944 -9.253 164 1HE2 GLN 22 1HE2 GLN 22 -10.784 0.426 -10.712 165 2HE2 GLN 22 2HE2 GLN 22 -10.627 0.275 -12.430 166 H LYS 23 HN LYS 23 -10.342 -6.226 -8.316 167 HA LYS 23 HA LYS 23 -10.766 -7.125 -10.991 168 1HB LYS 23 2HB LYS 23 -11.503 -8.184 -8.259 169 2HB LYS 23 3HB LYS 23 -12.046 -8.962 -9.732 170 1HG LYS 23 2HG LYS 23 -9.666 -9.160 -10.497 171 2HG LYS 23 3HG LYS 23 -9.130 -8.397 -9.014 172 1HD LYS 23 2HD LYS 23 -9.340 -10.327 -7.820 173 2HD LYS 23 3HD LYS 23 -10.942 -10.642 -8.456 174 1HE LYS 23 2HE LYS 23 -9.642 -11.291 -10.679 175 2HE LYS 23 3HE LYS 23 -8.259 -11.448 -9.614 176 1HZ LYS 23 1HZ LYS 23 -9.906 -12.832 -8.222 177 2HZ LYS 23 2HZ LYS 23 -10.723 -12.988 -9.627 178 3HZ LYS 23 3HZ LYS 23 -9.179 -13.509 -9.518 179 H GLU 24 HN GLU 24 -11.866 -4.810 -11.314 180 HA GLU 24 HA GLU 24 -14.649 -5.429 -11.469 181 1HB GLU 24 2HB GLU 24 -13.577 -3.398 -9.548 182 2HB GLU 24 3HB GLU 24 -14.984 -2.917 -10.474 183 1HG GLU 24 2HG GLU 24 -14.742 -5.415 -8.732 184 2HG GLU 24 3HG GLU 24 -15.681 -3.983 -8.359 185 H SER 25 HN SER 25 -15.641 -4.366 -13.225 186 HA SER 25 HA SER 25 -13.773 -3.008 -14.927 187 1HB SER 25 2HB SER 25 -16.620 -4.013 -15.303 188 2HB SER 25 3HB SER 25 -15.799 -3.075 -16.535 189 HG SER 25 HG SER 25 -15.671 -5.556 -16.578 190 H ASN 26 HN ASN 26 -16.053 -2.200 -12.506 191 HA ASN 26 HA ASN 26 -15.895 0.549 -13.305 192 1HB ASN 26 2HB ASN 26 -18.461 0.756 -12.782 193 2HB ASN 26 3HB ASN 26 -17.991 0.159 -14.362 194 1HD2 ASN 26 1HD2 ASN 26 -19.380 -1.317 -14.961 195 2HD2 ASN 26 2HD2 ASN 26 -19.952 -2.659 -14.027 196 H GLY 27 HN GLY 27 -14.756 -1.121 -11.168 197 1HA GLY 27 1HA GLY 27 -16.170 -0.014 -8.814 198 2HA GLY 27 2HA GLY 27 -15.420 -1.598 -8.835 199 HA PRO 28 HA PRO 28 -12.348 1.657 -7.626 200 1HB PRO 28 2HB PRO 28 -12.325 1.389 -4.906 201 2HB PRO 28 3HB PRO 28 -13.232 2.636 -5.738 202 1HG PRO 28 2HG PRO 28 -14.225 0.162 -4.460 203 2HG PRO 28 3HG PRO 28 -15.119 1.600 -4.910 204 1HD PRO 28 2HD PRO 28 -15.086 -0.906 -6.304 205 2HD PRO 28 3HD PRO 28 -15.887 0.566 -6.815 206 H VAL 29 HN VAL 29 -10.181 1.398 -6.519 207 HA VAL 29 HA VAL 29 -9.399 -1.341 -7.077 208 HB VAL 29 HB VAL 29 -7.736 1.090 -6.394 209 1HG1 VAL 29 1HG1 VAL 29 -6.218 -0.581 -6.095 210 2HG1 VAL 29 2HG1 VAL 29 -7.112 -1.730 -7.119 211 3HG1 VAL 29 3HG1 VAL 29 -6.110 -0.464 -7.867 212 1HG2 VAL 29 1HG2 VAL 29 -8.044 -0.001 -9.180 213 2HG2 VAL 29 2HG2 VAL 29 -9.263 1.119 -8.524 214 3HG2 VAL 29 3HG2 VAL 29 -7.561 1.626 -8.642 215 H LYS 30 HN LYS 30 -9.488 -2.816 -5.468 216 HA LYS 30 HA LYS 30 -9.735 -2.022 -2.765 217 1HB LYS 30 2HB LYS 30 -9.956 -4.442 -4.344 218 2HB LYS 30 3HB LYS 30 -9.055 -4.754 -2.874 219 1HG LYS 30 2HG LYS 30 -10.947 -3.415 -1.658 220 2HG LYS 30 3HG LYS 30 -11.862 -3.614 -3.139 221 1HD LYS 30 2HD LYS 30 -12.360 -5.772 -2.635 222 2HD LYS 30 3HD LYS 30 -10.673 -6.164 -2.372 223 1HE LYS 30 2HE LYS 30 -10.926 -6.106 -0.112 224 2HE LYS 30 3HE LYS 30 -11.666 -4.519 -0.171 225 1HZ LYS 30 1HZ LYS 30 -13.077 -7.038 -0.723 226 2HZ LYS 30 2HZ LYS 30 -13.158 -6.203 0.679 227 3HZ LYS 30 3HZ LYS 30 -13.752 -5.551 -0.696 228 H VAL 31 HN VAL 31 -8.016 -0.849 -1.962 229 HA VAL 31 HA VAL 31 -5.347 -1.942 -2.384 230 HB VAL 31 HB VAL 31 -6.405 0.675 -1.313 231 1HG1 VAL 31 1HG1 VAL 31 -3.643 0.935 -1.708 232 2HG1 VAL 31 2HG1 VAL 31 -4.510 0.910 -0.153 233 3HG1 VAL 31 3HG1 VAL 31 -3.838 -0.597 -0.822 234 1HG2 VAL 31 1HG2 VAL 31 -4.831 -0.059 -3.803 235 2HG2 VAL 31 2HG2 VAL 31 -6.523 0.488 -3.725 236 3HG2 VAL 31 3HG2 VAL 31 -5.206 1.603 -3.288 237 H TRP 32 HN TRP 32 -4.344 -3.165 -0.869 238 HA TRP 32 HA TRP 32 -4.862 -2.723 1.914 239 1HB TRP 32 2HB TRP 32 -5.890 -4.709 2.498 240 2HB TRP 32 3HB TRP 32 -6.783 -4.176 1.087 241 HD1 TRP 32 HD1 TRP 32 -4.423 -6.979 2.224 242 HE1 TRP 32 HE1 TRP 32 -4.357 -8.956 0.477 243 HE3 TRP 32 HE3 TRP 32 -7.061 -4.570 -1.394 244 HZ2 TRP 32 HZ2 TRP 32 -5.391 -9.283 -2.162 245 HZ3 TRP 32 HZ3 TRP 32 -7.490 -5.789 -3.526 246 HH2 TRP 32 HH2 TRP 32 -6.702 -8.065 -3.940 247 H GLY 33 HN GLY 33 -3.117 -3.551 3.159 248 1HA GLY 33 1HA GLY 33 -1.210 -5.348 1.916 249 2HA GLY 33 2HA GLY 33 -0.643 -3.705 2.140 250 H SER 34 HN SER 34 0.950 -4.962 3.585 251 HA SER 34 HA SER 34 0.028 -4.645 6.261 252 1HB SER 34 2HB SER 34 0.896 -7.383 5.240 253 2HB SER 34 3HB SER 34 0.815 -6.970 6.941 254 HG SER 34 HG SER 34 -1.194 -7.751 6.673 255 H ILE 35 HN ILE 35 1.699 -3.661 7.346 256 HA ILE 35 HA ILE 35 4.289 -3.634 6.082 257 HB ILE 35 HB ILE 35 2.766 -1.971 7.879 258 1HG1 ILE 35 2HG1 ILE 35 5.295 -0.940 6.803 259 2HG1 ILE 35 3HG1 ILE 35 4.293 -1.708 5.588 260 1HG2 ILE 35 1HG2 ILE 35 4.279 -2.976 9.580 261 2HG2 ILE 35 2HG2 ILE 35 5.668 -2.357 8.654 262 3HG2 ILE 35 3HG2 ILE 35 4.497 -1.222 9.368 263 1HD1 ILE 35 1HD1 ILE 35 3.856 0.787 5.973 264 2HD1 ILE 35 2HD1 ILE 35 2.422 -0.264 6.061 265 3HD1 ILE 35 3HD1 ILE 35 3.181 0.334 7.556 266 H LYS 36 HN LYS 36 6.292 -3.936 7.511 267 HA LYS 36 HA LYS 36 5.953 -5.732 9.722 268 1HB LYS 36 2HB LYS 36 7.015 -6.725 7.072 269 2HB LYS 36 3HB LYS 36 7.438 -7.488 8.591 270 1HG LYS 36 2HG LYS 36 4.745 -7.364 8.935 271 2HG LYS 36 3HG LYS 36 4.784 -7.394 7.183 272 1HD LYS 36 2HD LYS 36 6.634 -9.379 7.872 273 2HD LYS 36 3HD LYS 36 5.409 -9.548 9.114 274 1HE LYS 36 2HE LYS 36 3.636 -9.701 7.363 275 2HE LYS 36 3HE LYS 36 4.844 -9.495 6.110 276 1HZ LYS 36 1HZ LYS 36 4.109 -11.839 6.890 277 2HZ LYS 36 2HZ LYS 36 5.661 -11.561 6.465 278 3HZ LYS 36 3HZ LYS 36 5.244 -11.620 8.043 279 H GLY 37 HN GLY 37 7.205 -4.596 11.122 280 1HA GLY 37 1HA GLY 37 9.786 -4.610 11.421 281 2HA GLY 37 2HA GLY 37 9.710 -3.436 10.122 282 H LEU 38 HN LEU 38 7.330 -2.026 10.738 283 HA LEU 38 HA LEU 38 8.236 -0.164 12.545 284 1HB LEU 38 2HB LEU 38 5.652 -0.804 11.234 285 2HB LEU 38 3HB LEU 38 5.585 0.255 12.628 286 HG LEU 38 HG LEU 38 7.646 1.359 11.158 287 1HD1 LEU 38 1HD1 LEU 38 7.504 0.899 8.993 288 2HD1 LEU 38 2HD1 LEU 38 6.284 -0.342 9.368 289 3HD1 LEU 38 3HD1 LEU 38 5.773 1.317 8.974 290 1HD2 LEU 38 1HD2 LEU 38 5.707 2.966 10.404 291 2HD2 LEU 38 2HD2 LEU 38 4.741 1.982 11.529 292 3HD2 LEU 38 3HD2 LEU 38 6.183 2.846 12.114 293 H THR 39 HN THR 39 6.290 0.391 14.441 294 HA THR 39 HA THR 39 6.073 -2.023 16.076 295 HB THR 39 HB THR 39 7.001 -0.566 18.012 296 HG1 THR 39 1HG THR 39 6.906 1.469 16.894 297 1HG2 THR 39 1HG2 THR 39 9.160 -0.773 15.916 298 2HG2 THR 39 2HG2 THR 39 9.198 -1.271 17.624 299 3HG2 THR 39 3HG2 THR 39 8.365 -2.284 16.421 300 H GLU 40 HN GLU 40 4.348 -2.038 17.522 301 HA GLU 40 HA GLU 40 2.087 -0.872 16.789 302 1HB GLU 40 2HB GLU 40 2.190 -2.609 18.506 303 2HB GLU 40 3HB GLU 40 2.988 -1.524 19.627 304 1HG GLU 40 2HG GLU 40 0.814 -0.008 19.176 305 2HG GLU 40 3HG GLU 40 0.106 -1.548 18.732 306 H GLY 41 HN GLY 41 2.070 1.295 16.149 307 1HA GLY 41 1HA GLY 41 1.709 3.258 18.138 308 2HA GLY 41 2HA GLY 41 3.332 3.395 17.491 309 H LEU 42 HN LEU 42 2.620 5.531 16.652 310 HA LEU 42 HA LEU 42 0.867 5.281 14.316 311 1HB LEU 42 2HB LEU 42 1.577 7.580 16.122 312 2HB LEU 42 3HB LEU 42 0.874 7.838 14.537 313 HG LEU 42 HG LEU 42 -1.138 6.662 15.149 314 1HD1 LEU 42 1HD1 LEU 42 -1.350 5.932 17.632 315 2HD1 LEU 42 2HD1 LEU 42 -0.533 4.859 16.470 316 3HD1 LEU 42 3HD1 LEU 42 0.428 5.859 17.585 317 1HD2 LEU 42 1HD2 LEU 42 -1.548 8.060 17.446 318 2HD2 LEU 42 2HD2 LEU 42 -0.143 8.917 16.769 319 3HD2 LEU 42 3HD2 LEU 42 -1.632 8.752 15.808 320 H HIS 43 HN HIS 43 1.611 5.748 12.264 321 HA HIS 43 HA HIS 43 4.301 6.839 12.069 322 1HB HIS 43 2HB HIS 43 4.754 5.064 10.276 323 2HB HIS 43 3HB HIS 43 4.885 4.594 11.959 324 HD1 HIS 43 HD1 HIS 43 3.799 3.140 9.012 325 HD2 HIS 43 HD2 HIS 43 1.926 3.661 12.730 326 HE1 HIS 43 HE1 HIS 43 1.946 1.390 9.131 327 H GLY 44 HN GLY 44 4.372 8.439 10.563 328 1HA GLY 44 1HA GLY 44 2.298 9.588 9.342 329 2HA GLY 44 2HA GLY 44 3.904 9.559 8.641 330 H PHE 45 HN PHE 45 1.335 9.578 7.203 331 HA PHE 45 HA PHE 45 0.986 6.897 6.221 332 1HB PHE 45 2HB PHE 45 -0.464 9.348 6.409 333 2HB PHE 45 3HB PHE 45 -0.158 9.173 4.693 334 HD1 PHE 45 HD1 PHE 45 -2.315 8.306 7.332 335 HD2 PHE 45 HD2 PHE 45 -0.743 6.819 3.682 336 HE1 PHE 45 HE1 PHE 45 -4.245 6.712 7.151 337 HE2 PHE 45 HE2 PHE 45 -2.674 5.225 3.500 338 HZ PHE 45 HZ PHE 45 -4.402 5.191 5.237 339 H HIS 46 HN HIS 46 1.151 6.356 3.888 340 HA HIS 46 HA HIS 46 3.652 7.018 2.886 341 1HB HIS 46 2HB HIS 46 3.204 5.501 1.240 342 2HB HIS 46 3HB HIS 46 2.032 5.004 2.444 343 HD1 HIS 46 HD1 HIS 46 1.975 4.882 -0.885 344 HD2 HIS 46 HD2 HIS 46 -0.348 7.218 1.712 345 HE1 HIS 46 HE1 HIS 46 -0.143 5.489 -2.171 346 H VAL 47 HN VAL 47 3.847 7.846 0.442 347 HA VAL 47 HA VAL 47 3.742 9.561 -0.946 348 HB VAL 47 HB VAL 47 0.945 9.919 0.149 349 1HG1 VAL 47 1HG1 VAL 47 2.315 11.721 -1.379 350 2HG1 VAL 47 2HG1 VAL 47 1.547 10.717 -2.632 351 3HG1 VAL 47 3HG1 VAL 47 0.547 11.516 -1.396 352 1HG2 VAL 47 1HG2 VAL 47 0.163 8.411 -1.428 353 2HG2 VAL 47 2HG2 VAL 47 1.599 8.584 -2.465 354 3HG2 VAL 47 3HG2 VAL 47 1.704 7.660 -0.947 355 H HIS 48 HN HIS 48 5.459 10.450 0.467 356 HA HIS 48 HA HIS 48 4.707 13.072 1.316 357 1HB HIS 48 2HB HIS 48 5.468 10.956 3.317 358 2HB HIS 48 3HB HIS 48 5.885 12.633 3.603 359 HD1 HIS 48 HD1 HIS 48 2.892 10.337 3.270 360 HD2 HIS 48 HD2 HIS 48 3.754 14.300 4.343 361 HE1 HIS 48 HE1 HIS 48 0.753 11.284 4.290 362 H GLU 49 HN GLU 49 6.168 14.028 -0.055 363 HA GLU 49 HA GLU 49 8.941 13.329 0.461 364 1HB GLU 49 2HB GLU 49 7.850 13.888 -2.329 365 2HB GLU 49 3HB GLU 49 9.487 13.417 -1.917 366 1HG GLU 49 2HG GLU 49 8.199 11.333 -0.775 367 2HG GLU 49 3HG GLU 49 6.982 11.746 -1.966 368 H GLU 50 HN GLU 50 9.849 15.138 1.334 369 HA GLU 50 HA GLU 50 8.669 17.626 1.170 370 1HB GLU 50 2HB GLU 50 11.470 16.716 1.919 371 2HB GLU 50 3HB GLU 50 11.008 18.405 1.994 372 1HG GLU 50 2HG GLU 50 8.938 17.514 3.386 373 2HG GLU 50 3HG GLU 50 9.919 16.078 3.605 374 H GLU 51 HN GLU 51 11.780 16.516 -0.371 375 HA GLU 51 HA GLU 51 11.061 18.063 -2.692 376 1HB GLU 51 2HB GLU 51 13.355 19.145 -2.732 377 2HB GLU 51 3HB GLU 51 12.287 19.740 -1.476 378 1HG GLU 51 2HG GLU 51 13.377 18.178 0.167 379 2HG GLU 51 3HG GLU 51 14.465 17.630 -1.092 380 H ASP 52 HN ASP 52 13.069 17.766 -4.383 381 HA ASP 52 HA ASP 52 14.840 15.836 -4.337 382 1HB ASP 52 2HB ASP 52 13.500 14.017 -3.712 383 2HB ASP 52 3HB ASP 52 12.086 14.637 -4.542 384 H ASN 53 HN ASN 53 15.842 15.961 -6.382 385 HA ASN 53 HA ASN 53 14.108 16.590 -8.626 386 1HB ASN 53 2HB ASN 53 15.978 18.174 -9.431 387 2HB ASN 53 3HB ASN 53 15.037 18.749 -8.069 388 1HD2 ASN 53 1HD2 ASN 53 18.026 17.147 -9.028 389 2HD2 ASN 53 2HD2 ASN 53 18.987 17.600 -7.660 390 H THR 54 HN THR 54 15.937 14.314 -7.319 391 HA THR 54 HA THR 54 17.563 13.798 -9.721 392 HB THR 54 HB THR 54 18.804 14.121 -7.547 393 HG1 THR 54 1HG THR 54 19.512 12.599 -9.240 394 1HG2 THR 54 1HG2 THR 54 18.420 12.809 -5.666 395 2HG2 THR 54 2HG2 THR 54 16.760 12.791 -6.307 396 3HG2 THR 54 3HG2 THR 54 17.854 11.424 -6.630 397 H ALA 55 HN ALA 55 15.064 12.577 -7.504 398 HA ALA 55 HA ALA 55 13.562 10.970 -7.803 399 1HB ALA 55 1HB ALA 55 14.459 9.943 -10.410 400 2HB ALA 55 2HB ALA 55 12.880 10.607 -9.927 401 3HB ALA 55 3HB ALA 55 14.198 11.703 -10.405 402 H GLY 56 HN GLY 56 13.826 9.235 -6.499 403 1HA GLY 56 1HA GLY 56 16.210 7.545 -6.948 404 2HA GLY 56 2HA GLY 56 15.440 7.823 -5.399 405 H CYS 57 HN CYS 57 12.658 7.695 -6.572 406 HA CYS 57 HA CYS 57 12.609 4.801 -7.038 407 1HB CYS 57 2HB CYS 57 10.920 6.552 -5.298 408 2HB CYS 57 3HB CYS 57 10.182 5.154 -6.053 409 H THR 58 HN THR 58 10.284 7.596 -7.249 410 HA THR 58 HA THR 58 9.821 6.827 -10.057 411 HB THR 58 HB THR 58 7.490 7.568 -9.669 412 HG1 THR 58 1HG THR 58 8.190 9.220 -8.063 413 1HG2 THR 58 1HG2 THR 58 7.335 5.373 -8.929 414 2HG2 THR 58 2HG2 THR 58 8.741 5.539 -7.850 415 3HG2 THR 58 3HG2 THR 58 7.150 6.155 -7.341 416 H SER 59 HN SER 59 8.092 9.282 -10.313 417 HA SER 59 HA SER 59 9.598 11.525 -9.780 418 1HB SER 59 2HB SER 59 11.107 10.275 -11.506 419 2HB SER 59 3HB SER 59 9.904 10.732 -12.696 420 HG SER 59 HG SER 59 11.653 12.288 -12.545 421 H ALA 60 HN ALA 60 7.871 12.908 -9.626 422 HA ALA 60 HA ALA 60 6.240 13.361 -11.933 423 1HB ALA 60 1HB ALA 60 5.383 11.421 -10.012 424 2HB ALA 60 2HB ALA 60 4.360 12.865 -9.818 425 3HB ALA 60 3HB ALA 60 4.483 12.068 -11.405 426 H GLY 61 HN GLY 61 6.341 13.731 -8.314 427 1HA GLY 61 1HA GLY 61 6.938 16.489 -8.432 428 2HA GLY 61 2HA GLY 61 5.211 16.278 -8.222 429 HA PRO 62 HA PRO 62 7.593 14.676 -4.414 430 1HB PRO 62 2HB PRO 62 9.916 16.001 -3.852 431 2HB PRO 62 3HB PRO 62 9.871 14.444 -4.656 432 1HG PRO 62 2HG PRO 62 10.400 17.113 -5.812 433 2HG PRO 62 3HG PRO 62 10.761 15.535 -6.483 434 1HD PRO 62 2HD PRO 62 8.612 17.274 -7.247 435 2HD PRO 62 3HD PRO 62 8.905 15.649 -7.834 436 H HIS 63 HN HIS 63 5.521 16.250 -4.518 437 HA HIS 63 HA HIS 63 5.944 17.842 -2.172 438 1HB HIS 63 2HB HIS 63 5.954 19.063 -4.800 439 2HB HIS 63 3HB HIS 63 4.585 19.637 -3.867 440 HD1 HIS 63 HD1 HIS 63 5.531 20.144 -1.129 441 HD2 HIS 63 HD2 HIS 63 8.047 20.755 -4.429 442 HE1 HIS 63 HE1 HIS 63 7.346 21.762 -0.355 443 H PHE 64 HN PHE 64 4.517 15.416 -2.747 444 HA PHE 64 HA PHE 64 2.562 14.507 -2.278 445 1HB PHE 64 2HB PHE 64 1.427 17.310 -1.811 446 2HB PHE 64 3HB PHE 64 0.974 15.830 -0.990 447 HD1 PHE 64 HD1 PHE 64 1.926 18.633 0.087 448 HD2 PHE 64 HD2 PHE 64 3.815 14.864 -0.400 449 HE1 PHE 64 HE1 PHE 64 3.509 19.184 1.955 450 HE2 PHE 64 HE2 PHE 64 5.397 15.415 1.468 451 HZ PHE 64 HZ PHE 64 5.226 17.569 2.624 452 H ASN 65 HN ASN 65 -0.119 15.871 -2.650 453 HA ASN 65 HA ASN 65 -0.022 16.137 -5.548 454 1HB ASN 65 2HB ASN 65 -2.289 14.751 -4.037 455 2HB ASN 65 3HB ASN 65 -2.030 14.771 -5.770 456 1HD2 ASN 65 1HD2 ASN 65 -0.465 13.844 -2.719 457 2HD2 ASN 65 2HD2 ASN 65 0.317 12.409 -3.295 458 HA PRO 66 HA PRO 66 -2.576 19.591 -4.655 459 1HB PRO 66 2HB PRO 66 -3.759 20.035 -7.078 460 2HB PRO 66 3HB PRO 66 -2.131 20.557 -6.697 461 1HG PRO 66 2HG PRO 66 -3.003 18.293 -8.384 462 2HG PRO 66 3HG PRO 66 -1.440 19.083 -8.330 463 1HD PRO 66 2HD PRO 66 -2.122 16.548 -7.174 464 2HD PRO 66 3HD PRO 66 -0.594 17.392 -7.022 465 H LEU 67 HN LEU 67 -3.751 16.583 -5.028 466 HA LEU 67 HA LEU 67 -6.531 17.316 -5.085 467 1HB LEU 67 2HB LEU 67 -4.933 14.809 -5.070 468 2HB LEU 67 3HB LEU 67 -6.564 14.725 -4.435 469 HG LEU 67 HG LEU 67 -6.446 14.091 -6.803 470 1HD1 LEU 67 1HD1 LEU 67 -8.363 15.258 -7.536 471 2HD1 LEU 67 2HD1 LEU 67 -8.471 15.208 -5.760 472 3HD1 LEU 67 3HD1 LEU 67 -7.951 16.701 -6.578 473 1HD2 LEU 67 1HD2 LEU 67 -4.538 15.553 -7.414 474 2HD2 LEU 67 2HD2 LEU 67 -5.906 15.664 -8.547 475 3HD2 LEU 67 3HD2 LEU 67 -5.632 16.956 -7.354 476 H SER 68 HN SER 68 -4.046 16.322 -2.690 477 HA SER 68 HA SER 68 -6.051 16.455 -0.621 478 1HB SER 68 2HB SER 68 -4.240 15.618 0.859 479 2HB SER 68 3HB SER 68 -4.459 14.590 -0.543 480 HG SER 68 HG SER 68 -2.217 15.936 0.263 481 H ARG 69 HN ARG 69 -3.106 18.127 -1.822 482 HA ARG 69 HA ARG 69 -2.388 20.150 -1.531 483 1HB ARG 69 2HB ARG 69 -5.168 20.400 -0.623 484 2HB ARG 69 3HB ARG 69 -4.131 21.487 0.278 485 1HG ARG 69 2HG ARG 69 -3.241 21.724 -2.399 486 2HG ARG 69 3HG ARG 69 -4.987 21.640 -2.525 487 1HD ARG 69 2HD ARG 69 -5.308 23.571 -1.154 488 2HD ARG 69 3HD ARG 69 -3.696 23.473 -0.475 489 HE ARG 69 HE ARG 69 -3.655 23.849 -3.370 490 1HH1 ARG 69 2HH2 ARG 69 -3.935 25.513 -0.282 491 2HH1 ARG 69 1HH2 ARG 69 -3.370 27.028 -0.902 492 1HH2 ARG 69 2HH1 ARG 69 -2.909 25.847 -4.188 493 2HH2 ARG 69 1HH1 ARG 69 -2.782 27.220 -3.139 494 H LYS 70 HN LYS 70 -4.060 19.241 1.583 495 HA LYS 70 HA LYS 70 -1.448 19.448 2.896 496 1HB LYS 70 2HB LYS 70 -3.936 20.961 3.479 497 2HB LYS 70 3HB LYS 70 -3.107 20.290 4.869 498 1HG LYS 70 2HG LYS 70 -1.032 21.426 4.288 499 2HG LYS 70 3HG LYS 70 -1.657 21.898 2.721 500 1HD LYS 70 2HD LYS 70 -3.530 23.144 4.073 501 2HD LYS 70 3HD LYS 70 -2.473 22.943 5.456 502 1HE LYS 70 2HE LYS 70 -0.639 23.927 3.734 503 2HE LYS 70 3HE LYS 70 -2.065 24.610 2.979 504 1HZ LYS 70 1HZ LYS 70 -0.848 25.797 4.935 505 2HZ LYS 70 2HZ LYS 70 -2.468 25.910 4.760 506 3HZ LYS 70 3HZ LYS 70 -1.835 24.873 5.851 507 H HIS 71 HN HIS 71 -1.328 18.169 4.929 508 HA HIS 71 HA HIS 71 -1.967 15.601 4.616 509 1HB HIS 71 2HB HIS 71 -1.161 15.305 6.705 510 2HB HIS 71 3HB HIS 71 -0.689 16.981 6.506 511 HD1 HIS 71 HD1 HIS 71 -2.326 18.811 7.652 512 HD2 HIS 71 HD2 HIS 71 -2.919 14.817 8.787 513 HE1 HIS 71 HE1 HIS 71 -3.707 18.875 9.796 514 H GLY 72 HN GLY 72 -4.110 18.186 5.860 515 1HA GLY 72 1HA GLY 72 -6.298 18.193 6.396 516 2HA GLY 72 2HA GLY 72 -6.474 17.085 5.050 517 H GLY 73 HN GLY 73 -8.334 16.530 6.759 518 1HA GLY 73 1HA GLY 73 -8.565 14.126 7.510 519 2HA GLY 73 2HA GLY 73 -7.295 14.515 8.653 520 HA PRO 74 HA PRO 74 -10.319 16.092 11.331 521 1HB PRO 74 2HB PRO 74 -8.854 17.765 12.919 522 2HB PRO 74 3HB PRO 74 -8.881 16.026 13.128 523 1HG PRO 74 2HG PRO 74 -6.753 17.721 11.972 524 2HG PRO 74 3HG PRO 74 -6.643 16.079 12.574 525 1HD PRO 74 2HD PRO 74 -6.727 16.897 9.826 526 2HD PRO 74 3HD PRO 74 -6.734 15.252 10.431 527 H LYS 75 HN LYS 75 -8.429 18.363 9.532 528 HA LYS 75 HA LYS 75 -10.422 20.420 10.022 529 1HB LYS 75 2HB LYS 75 -7.624 20.387 9.480 530 2HB LYS 75 3HB LYS 75 -8.403 21.205 8.140 531 1HG LYS 75 2HG LYS 75 -9.143 22.962 9.450 532 2HG LYS 75 3HG LYS 75 -9.431 21.945 10.848 533 1HD LYS 75 2HD LYS 75 -7.492 22.717 11.733 534 2HD LYS 75 3HD LYS 75 -6.629 21.845 10.481 535 1HE LYS 75 2HE LYS 75 -6.812 23.826 8.966 536 2HE LYS 75 3HE LYS 75 -7.696 24.697 10.203 537 1HZ LYS 75 1HZ LYS 75 -5.567 23.979 11.564 538 2HZ LYS 75 2HZ LYS 75 -4.893 24.063 10.079 539 3HZ LYS 75 3HZ LYS 75 -5.639 25.370 10.712 540 H ASP 76 HN ASP 76 -9.440 18.009 7.638 541 HA ASP 76 HA ASP 76 -10.225 17.443 5.698 542 1HB ASP 76 2HB ASP 76 -12.830 18.838 5.843 543 2HB ASP 76 3HB ASP 76 -12.496 17.128 5.652 544 H GLU 77 HN GLU 77 -8.855 18.805 4.371 545 HA GLU 77 HA GLU 77 -10.143 21.283 3.522 546 1HB GLU 77 2HB GLU 77 -7.986 21.616 4.738 547 2HB GLU 77 3HB GLU 77 -7.167 20.613 3.558 548 1HG GLU 77 2HG GLU 77 -6.882 22.429 2.235 549 2HG GLU 77 3HG GLU 77 -8.620 22.552 2.050 550 H GLU 78 HN GLU 78 -9.098 18.109 2.654 551 HA GLU 78 HA GLU 78 -10.194 18.183 0.178 552 1HB GLU 78 2HB GLU 78 -7.708 19.566 0.128 553 2HB GLU 78 3HB GLU 78 -7.402 18.020 -0.638 554 1HG GLU 78 2HG GLU 78 -8.909 18.418 -2.385 555 2HG GLU 78 3HG GLU 78 -9.921 19.475 -1.421 556 H ARG 79 HN ARG 79 -6.947 16.995 1.328 557 HA ARG 79 HA ARG 79 -6.132 14.944 1.135 558 1HB ARG 79 2HB ARG 79 -6.940 13.532 2.963 559 2HB ARG 79 3HB ARG 79 -7.053 15.204 3.474 560 1HG ARG 79 2HG ARG 79 -9.498 14.307 2.089 561 2HG ARG 79 3HG ARG 79 -9.137 13.316 3.489 562 1HD ARG 79 2HD ARG 79 -8.823 15.525 4.804 563 2HD ARG 79 3HD ARG 79 -9.519 16.342 3.418 564 HE ARG 79 HE ARG 79 -11.616 15.594 4.103 565 1HH1 ARG 79 2HH2 ARG 79 -9.174 13.444 5.444 566 2HH1 ARG 79 1HH2 ARG 79 -10.314 12.506 6.350 567 1HH2 ARG 79 2HH1 ARG 79 -13.120 14.357 5.299 568 2HH2 ARG 79 1HH1 ARG 79 -12.573 13.028 6.267 569 H HIS 80 HN HIS 80 -7.612 15.284 -1.194 570 HA HIS 80 HA HIS 80 -9.480 13.100 -1.407 571 1HB HIS 80 2HB HIS 80 -8.903 15.552 -2.832 572 2HB HIS 80 3HB HIS 80 -8.951 14.204 -3.951 573 HD1 HIS 80 HD1 HIS 80 -11.126 16.679 -2.946 574 HD2 HIS 80 HD2 HIS 80 -11.480 12.500 -2.934 575 HE1 HIS 80 HE1 HIS 80 -13.627 16.174 -2.910 576 H VAL 81 HN VAL 81 -6.094 13.574 -1.602 577 HA VAL 81 HA VAL 81 -5.770 11.397 -3.520 578 HB VAL 81 HB VAL 81 -4.520 13.714 -3.455 579 1HG1 VAL 81 1HG1 VAL 81 -2.827 14.005 -1.992 580 2HG1 VAL 81 2HG1 VAL 81 -3.699 12.802 -1.013 581 3HG1 VAL 81 3HG1 VAL 81 -2.344 12.293 -2.049 582 1HG2 VAL 81 1HG2 VAL 81 -4.075 11.240 -4.657 583 2HG2 VAL 81 2HG2 VAL 81 -3.312 12.788 -5.095 584 3HG2 VAL 81 3HG2 VAL 81 -2.493 11.679 -3.969 585 H GLY 82 HN GLY 82 -3.180 10.571 -2.401 586 1HA GLY 82 1HA GLY 82 -4.218 8.785 -0.352 587 2HA GLY 82 2HA GLY 82 -2.682 8.681 -1.189 588 H ASP 83 HN ASP 83 -4.055 11.582 0.464 589 HA ASP 83 HA ASP 83 -1.854 11.333 2.361 590 1HB ASP 83 2HB ASP 83 -2.873 13.668 0.758 591 2HB ASP 83 3HB ASP 83 -2.323 14.006 2.387 592 H LEU 84 HN LEU 84 -3.257 10.353 3.976 593 HA LEU 84 HA LEU 84 -5.655 11.839 4.694 594 1HB LEU 84 2HB LEU 84 -4.778 9.082 4.802 595 2HB LEU 84 3HB LEU 84 -5.351 9.618 6.369 596 HG LEU 84 HG LEU 84 -7.163 8.598 5.167 597 1HD1 LEU 84 1HD1 LEU 84 -8.793 10.153 5.607 598 2HD1 LEU 84 2HD1 LEU 84 -7.422 10.844 6.508 599 3HD1 LEU 84 3HD1 LEU 84 -7.859 11.499 4.912 600 1HD2 LEU 84 1HD2 LEU 84 -7.416 8.706 2.967 601 2HD2 LEU 84 2HD2 LEU 84 -7.588 10.477 3.025 602 3HD2 LEU 84 3HD2 LEU 84 -5.972 9.744 2.889 603 H GLY 85 HN GLY 85 -3.078 10.176 6.636 604 1HA GLY 85 1HA GLY 85 -2.138 12.525 7.878 605 2HA GLY 85 2HA GLY 85 -3.386 11.811 8.879 606 H ASN 86 HN ASN 86 -3.102 9.641 9.750 607 HA ASN 86 HA ASN 86 -0.506 8.473 9.311 608 1HB ASN 86 2HB ASN 86 -1.420 9.761 11.868 609 2HB ASN 86 3HB ASN 86 -0.642 8.201 12.044 610 1HD2 ASN 86 1HD2 ASN 86 1.413 8.339 12.465 611 2HD2 ASN 86 2HD2 ASN 86 2.543 9.500 11.853 612 H VAL 87 HN VAL 87 -0.445 6.208 10.384 613 HA VAL 87 HA VAL 87 -3.181 5.163 10.639 614 HB VAL 87 HB VAL 87 -2.478 3.171 9.562 615 1HG1 VAL 87 1HG1 VAL 87 -1.083 5.063 7.742 616 2HG1 VAL 87 2HG1 VAL 87 -2.449 3.964 7.433 617 3HG1 VAL 87 3HG1 VAL 87 -2.725 5.520 8.253 618 1HG2 VAL 87 1HG2 VAL 87 -0.390 2.459 9.973 619 2HG2 VAL 87 2HG2 VAL 87 0.099 3.490 8.606 620 3HG2 VAL 87 3HG2 VAL 87 0.208 4.109 10.272 621 H THR 88 HN THR 88 -2.146 2.506 11.413 622 HA THR 88 HA THR 88 -0.579 2.940 13.789 623 HB THR 88 HB THR 88 -3.231 3.494 14.095 624 HG1 THR 88 1HG THR 88 -2.508 3.343 16.213 625 1HG2 THR 88 1HG2 THR 88 -2.884 0.505 14.679 626 2HG2 THR 88 2HG2 THR 88 -4.260 1.500 15.214 627 3HG2 THR 88 3HG2 THR 88 -3.999 1.200 13.479 628 H ALA 89 HN ALA 89 0.353 1.052 14.585 629 HA ALA 89 HA ALA 89 0.241 -1.135 12.700 630 1HB ALA 89 1HB ALA 89 2.437 -0.753 13.278 631 2HB ALA 89 2HB ALA 89 2.024 -0.205 14.921 632 3HB ALA 89 3HB ALA 89 2.023 -1.943 14.536 633 H ASP 90 HN ASP 90 0.416 -3.443 13.882 634 HA ASP 90 HA ASP 90 -2.089 -3.677 15.214 635 1HB ASP 90 2HB ASP 90 -1.575 -5.396 13.625 636 2HB ASP 90 3HB ASP 90 0.043 -5.618 14.260 637 H LYS 91 HN LYS 91 0.597 -5.841 16.078 638 HA LYS 91 HA LYS 91 0.893 -4.520 18.668 639 1HB LYS 91 2HB LYS 91 0.419 -7.500 18.426 640 2HB LYS 91 3HB LYS 91 0.542 -6.547 19.891 641 1HG LYS 91 2HG LYS 91 -1.491 -5.187 18.796 642 2HG LYS 91 3HG LYS 91 -1.722 -6.672 17.895 643 1HD LYS 91 2HD LYS 91 -1.323 -6.898 20.874 644 2HD LYS 91 3HD LYS 91 -2.860 -6.276 20.307 645 1HE LYS 91 2HE LYS 91 -3.339 -8.283 19.062 646 2HE LYS 91 3HE LYS 91 -1.682 -8.844 19.171 647 1HZ LYS 91 1HZ LYS 91 -2.322 -9.917 20.968 648 2HZ LYS 91 2HZ LYS 91 -2.492 -8.493 21.748 649 3HZ LYS 91 3HZ LYS 91 -3.779 -9.181 21.014 650 H ASP 92 HN ASP 92 2.336 -5.227 15.898 651 HA ASP 92 HA ASP 92 4.852 -5.608 17.216 652 1HB ASP 92 2HB ASP 92 3.502 -7.753 15.781 653 2HB ASP 92 3HB ASP 92 4.962 -7.312 14.918 654 H GLY 93 HN GLY 93 3.209 -3.591 15.574 655 1HA GLY 93 1HA GLY 93 4.015 -1.898 14.226 656 2HA GLY 93 2HA GLY 93 5.311 -2.933 13.660 657 H VAL 94 HN VAL 94 3.568 -5.268 13.064 658 HA VAL 94 HA VAL 94 3.118 -4.978 10.444 659 HB VAL 94 HB VAL 94 1.289 -6.505 12.302 660 1HG1 VAL 94 1HG1 VAL 94 1.181 -8.112 10.422 661 2HG1 VAL 94 2HG1 VAL 94 0.553 -6.506 9.979 662 3HG1 VAL 94 3HG1 VAL 94 2.173 -7.008 9.440 663 1HG2 VAL 94 1HG2 VAL 94 3.218 -7.388 13.094 664 2HG2 VAL 94 2HG2 VAL 94 3.173 -8.320 11.578 665 3HG2 VAL 94 3HG2 VAL 94 4.169 -6.850 11.689 666 H ALA 95 HN ALA 95 2.255 -3.141 9.544 667 HA ALA 95 HA ALA 95 -0.345 -2.274 10.586 668 1HB ALA 95 1HB ALA 95 2.035 -0.937 9.417 669 2HB ALA 95 2HB ALA 95 0.462 -0.317 8.859 670 3HB ALA 95 3HB ALA 95 0.846 -0.333 10.596 671 H ASP 96 HN ASP 96 -2.095 -2.988 9.487 672 HA ASP 96 HA ASP 96 -1.655 -3.739 6.716 673 1HB ASP 96 2HB ASP 96 -2.606 -5.560 7.927 674 2HB ASP 96 3HB ASP 96 -3.683 -4.515 8.832 675 H VAL 97 HN VAL 97 -3.264 -3.005 5.090 676 HA VAL 97 HA VAL 97 -4.919 -0.764 6.018 677 HB VAL 97 HB VAL 97 -3.117 -0.915 3.597 678 1HG1 VAL 97 1HG1 VAL 97 -3.983 1.417 3.130 679 2HG1 VAL 97 2HG1 VAL 97 -5.137 0.097 2.824 680 3HG1 VAL 97 3HG1 VAL 97 -5.285 1.085 4.297 681 1HG2 VAL 97 1HG2 VAL 97 -1.727 0.547 4.636 682 2HG2 VAL 97 2HG2 VAL 97 -3.055 1.391 5.469 683 3HG2 VAL 97 3HG2 VAL 97 -2.446 -0.156 6.104 684 H SER 98 HN SER 98 -6.801 -0.328 4.587 685 HA SER 98 HA SER 98 -7.435 -2.241 2.614 686 1HB SER 98 2HB SER 98 -9.515 -3.097 3.821 687 2HB SER 98 3HB SER 98 -7.989 -3.725 4.408 688 HG SER 98 HG SER 98 -8.327 -1.565 5.869 689 H ILE 99 HN ILE 99 -8.060 -0.606 1.205 690 HA ILE 99 HA ILE 99 -10.430 0.885 1.979 691 HB ILE 99 HB ILE 99 -8.170 2.395 0.727 692 1HG1 ILE 99 2HG1 ILE 99 -8.562 2.201 3.723 693 2HG1 ILE 99 3HG1 ILE 99 -7.359 1.270 2.852 694 1HG2 ILE 99 1HG2 ILE 99 -9.993 3.743 0.612 695 2HG2 ILE 99 2HG2 ILE 99 -10.784 2.992 2.019 696 3HG2 ILE 99 3HG2 ILE 99 -9.461 4.159 2.258 697 1HD1 ILE 99 1HD1 ILE 99 -6.738 3.640 3.884 698 2HD1 ILE 99 2HD1 ILE 99 -6.080 3.150 2.304 699 3HD1 ILE 99 3HD1 ILE 99 -7.477 4.250 2.384 700 H GLU 100 HN GLU 100 -11.368 2.032 -0.018 701 HA GLU 100 HA GLU 100 -10.585 0.594 -2.421 702 1HB GLU 100 2HB GLU 100 -13.349 0.849 -2.681 703 2HB GLU 100 3HB GLU 100 -12.487 -0.627 -2.294 704 1HG GLU 100 2HG GLU 100 -13.239 1.342 -0.104 705 2HG GLU 100 3HG GLU 100 -14.407 0.174 -0.690 706 H ASP 101 HN ASP 101 -9.843 2.201 -3.749 707 HA ASP 101 HA ASP 101 -11.251 4.735 -3.631 708 1HB ASP 101 2HB ASP 101 -8.683 4.168 -5.158 709 2HB ASP 101 3HB ASP 101 -9.284 5.720 -4.608 710 H SER 102 HN SER 102 -12.529 5.356 -5.402 711 HA SER 102 HA SER 102 -12.306 3.652 -7.758 712 1HB SER 102 2HB SER 102 -14.764 5.122 -7.793 713 2HB SER 102 3HB SER 102 -14.542 3.392 -7.623 714 HG SER 102 HG SER 102 -15.682 4.690 -5.828 715 H VAL 103 HN VAL 103 -12.804 7.012 -6.530 716 HA VAL 103 HA VAL 103 -13.044 8.367 -8.881 717 HB VAL 103 HB VAL 103 -11.593 9.095 -6.333 718 1HG1 VAL 103 1HG1 VAL 103 -10.733 10.677 -7.803 719 2HG1 VAL 103 2HG1 VAL 103 -12.215 10.722 -8.788 720 3HG1 VAL 103 3HG1 VAL 103 -12.190 11.492 -7.184 721 1HG2 VAL 103 1HG2 VAL 103 -14.394 8.901 -7.103 722 2HG2 VAL 103 2HG2 VAL 103 -13.666 9.135 -5.496 723 3HG2 VAL 103 3HG2 VAL 103 -13.976 10.539 -6.546 724 H ILE 104 HN ILE 104 -10.062 7.099 -7.306 725 HA ILE 104 HA ILE 104 -8.386 8.227 -9.335 726 HB ILE 104 HB ILE 104 -6.604 7.037 -8.178 727 1HG1 ILE 104 2HG1 ILE 104 -7.175 5.806 -6.049 728 2HG1 ILE 104 3HG1 ILE 104 -8.852 5.814 -6.557 729 1HG2 ILE 104 1HG2 ILE 104 -8.423 8.372 -6.162 730 2HG2 ILE 104 2HG2 ILE 104 -6.644 8.294 -6.158 731 3HG2 ILE 104 3HG2 ILE 104 -7.490 9.255 -7.394 732 1HD1 ILE 104 1HD1 ILE 104 -8.495 4.302 -8.282 733 2HD1 ILE 104 2HD1 ILE 104 -6.824 4.851 -8.558 734 3HD1 ILE 104 3HD1 ILE 104 -7.196 3.789 -7.178 735 H SER 105 HN SER 105 -6.718 6.528 -10.371 736 HA SER 105 HA SER 105 -7.981 4.074 -11.072 737 1HB SER 105 2HB SER 105 -8.447 6.362 -12.723 738 2HB SER 105 3HB SER 105 -7.313 5.349 -13.594 739 HG SER 105 HG SER 105 -8.979 3.559 -12.823 740 H LEU 106 HN LEU 106 -6.433 2.554 -11.833 741 HA LEU 106 HA LEU 106 -3.830 2.893 -11.127 742 1HB LEU 106 2HB LEU 106 -5.218 1.070 -13.059 743 2HB LEU 106 3HB LEU 106 -3.473 1.016 -12.904 744 HG LEU 106 HG LEU 106 -4.406 -0.692 -11.520 745 1HD1 LEU 106 1HD1 LEU 106 -2.708 1.307 -10.557 746 2HD1 LEU 106 2HD1 LEU 106 -3.865 1.010 -9.237 747 3HD1 LEU 106 3HD1 LEU 106 -2.917 -0.338 -9.910 748 1HD2 LEU 106 1HD2 LEU 106 -6.178 -0.507 -10.070 749 2HD2 LEU 106 2HD2 LEU 106 -5.935 1.238 -9.814 750 3HD2 LEU 106 3HD2 LEU 106 -6.653 0.652 -11.334 751 H SER 107 HN SER 107 -5.357 3.509 -14.342 752 HA SER 107 HA SER 107 -3.129 5.266 -14.883 753 1HB SER 107 2HB SER 107 -2.546 4.308 -16.962 754 2HB SER 107 3HB SER 107 -2.744 2.918 -15.914 755 HG SER 107 HG SER 107 -3.867 3.083 -18.190 756 H GLY 108 HN GLY 108 -3.652 6.889 -16.574 757 1HA GLY 108 1HA GLY 108 -5.477 7.450 -18.217 758 2HA GLY 108 2HA GLY 108 -6.575 7.217 -16.872 759 H ASP 109 HN ASP 109 -7.305 9.204 -16.232 760 HA ASP 109 HA ASP 109 -5.683 11.489 -16.541 761 1HB ASP 109 2HB ASP 109 -8.429 10.835 -15.578 762 2HB ASP 109 3HB ASP 109 -7.727 12.263 -14.844 763 H HIS 110 HN HIS 110 -6.823 9.392 -13.822 764 HA HIS 110 HA HIS 110 -4.983 10.839 -12.060 765 1HB HIS 110 2HB HIS 110 -7.642 9.528 -11.584 766 2HB HIS 110 3HB HIS 110 -6.486 9.627 -10.271 767 HD1 HIS 110 HD1 HIS 110 -8.353 11.920 -12.691 768 HD2 HIS 110 HD2 HIS 110 -6.403 12.062 -8.979 769 HE1 HIS 110 HE1 HIS 110 -8.801 14.243 -11.736 770 H SER 111 HN SER 111 -3.436 9.346 -13.415 771 HA SER 111 HA SER 111 -3.524 6.605 -12.878 772 1HB SER 111 2HB SER 111 -1.258 6.567 -13.850 773 2HB SER 111 3HB SER 111 -2.328 7.564 -14.815 774 HG SER 111 HG SER 111 -1.273 9.234 -13.020 775 H ILE 112 HN ILE 112 -3.271 5.717 -10.860 776 HA ILE 112 HA ILE 112 -1.710 7.169 -8.897 777 HB ILE 112 HB ILE 112 -2.599 5.499 -7.337 778 1HG1 ILE 112 2HG1 ILE 112 -4.271 4.402 -9.601 779 2HG1 ILE 112 3HG1 ILE 112 -2.737 3.683 -9.154 780 1HG2 ILE 112 1HG2 ILE 112 -4.808 6.682 -9.033 781 2HG2 ILE 112 2HG2 ILE 112 -4.834 6.326 -7.290 782 3HG2 ILE 112 3HG2 ILE 112 -3.796 7.629 -7.916 783 1HD1 ILE 112 1HD1 ILE 112 -3.741 2.580 -7.456 784 2HD1 ILE 112 2HD1 ILE 112 -4.217 4.131 -6.726 785 3HD1 ILE 112 3HD1 ILE 112 -5.295 3.330 -7.894 786 H ILE 113 HN ILE 113 -1.181 4.881 -11.350 787 HA ILE 113 HA ILE 113 0.574 3.121 -10.048 788 HB ILE 113 HB ILE 113 0.139 3.930 -12.911 789 1HG1 ILE 113 2HG1 ILE 113 -1.564 2.555 -11.644 790 2HG1 ILE 113 3HG1 ILE 113 -0.964 1.858 -13.136 791 1HG2 ILE 113 1HG2 ILE 113 1.591 1.872 -13.416 792 2HG2 ILE 113 2HG2 ILE 113 2.412 3.392 -12.988 793 3HG2 ILE 113 3HG2 ILE 113 2.247 2.099 -11.777 794 1HD1 ILE 113 1HD1 ILE 113 0.513 0.349 -11.951 795 2HD1 ILE 113 2HD1 ILE 113 0.227 1.191 -10.410 796 3HD1 ILE 113 3HD1 ILE 113 -1.080 0.247 -11.164 797 H GLY 114 HN GLY 114 2.182 3.978 -8.787 798 1HA GLY 114 1HA GLY 114 4.570 4.589 -9.278 799 2HA GLY 114 2HA GLY 114 3.911 6.015 -10.054 800 H ARG 115 HN ARG 115 2.708 4.390 -7.059 801 HA ARG 115 HA ARG 115 3.145 6.926 -5.722 802 1HB ARG 115 2HB ARG 115 1.363 4.548 -4.987 803 2HB ARG 115 3HB ARG 115 1.504 6.003 -4.021 804 1HG ARG 115 2HG ARG 115 0.908 6.503 -6.895 805 2HG ARG 115 3HG ARG 115 -0.347 5.624 -6.045 806 1HD ARG 115 2HD ARG 115 0.870 8.159 -4.875 807 2HD ARG 115 3HD ARG 115 -0.457 8.232 -6.017 808 HE ARG 115 HE ARG 115 -0.582 7.261 -3.241 809 1HH1 ARG 115 2HH2 ARG 115 -2.176 7.349 -6.376 810 2HH1 ARG 115 1HH2 ARG 115 -3.746 7.000 -5.731 811 1HH2 ARG 115 2HH1 ARG 115 -2.652 6.801 -2.389 812 2HH2 ARG 115 1HH1 ARG 115 -4.018 6.686 -3.448 813 H THR 116 HN THR 116 5.310 6.774 -4.996 814 HA THR 116 HA THR 116 6.492 4.436 -4.026 815 HB THR 116 HB THR 116 7.125 7.364 -3.379 816 HG1 THR 116 1HG THR 116 8.069 5.561 -5.486 817 1HG2 THR 116 1HG2 THR 116 8.986 6.492 -2.381 818 2HG2 THR 116 2HG2 THR 116 8.462 4.839 -2.782 819 3HG2 THR 116 3HG2 THR 116 9.430 5.772 -3.947 820 H LEU 117 HN LEU 117 4.984 3.373 -2.654 821 HA LEU 117 HA LEU 117 3.965 4.655 -0.354 822 1HB LEU 117 2HB LEU 117 3.232 2.513 -1.697 823 2HB LEU 117 3HB LEU 117 4.288 1.691 -0.565 824 HG LEU 117 HG LEU 117 2.337 3.567 0.647 825 1HD1 LEU 117 1HD1 LEU 117 1.501 1.270 -1.062 826 2HD1 LEU 117 2HD1 LEU 117 0.654 1.517 0.484 827 3HD1 LEU 117 3HD1 LEU 117 0.685 2.818 -0.731 828 1HD2 LEU 117 1HD2 LEU 117 3.479 2.421 2.264 829 2HD2 LEU 117 2HD2 LEU 117 2.070 1.352 2.060 830 3HD2 LEU 117 3HD2 LEU 117 3.619 0.942 1.283 831 H VAL 118 HN VAL 118 5.128 5.357 1.347 832 HA VAL 118 HA VAL 118 7.287 3.619 2.282 833 HB VAL 118 HB VAL 118 8.486 5.204 1.047 834 1HG1 VAL 118 1HG1 VAL 118 8.101 7.590 1.040 835 2HG1 VAL 118 2HG1 VAL 118 6.570 6.760 0.670 836 3HG1 VAL 118 3HG1 VAL 118 6.847 7.435 2.294 837 1HG2 VAL 118 1HG2 VAL 118 9.723 6.477 2.716 838 2HG2 VAL 118 2HG2 VAL 118 8.393 6.288 3.883 839 3HG2 VAL 118 3HG2 VAL 118 9.320 4.865 3.352 840 H VAL 119 HN VAL 119 7.934 4.239 4.591 841 HA VAL 119 HA VAL 119 5.537 5.206 5.992 842 HB VAL 119 HB VAL 119 6.358 3.711 7.851 843 1HG1 VAL 119 1HG1 VAL 119 5.781 1.714 5.838 844 2HG1 VAL 119 2HG1 VAL 119 4.753 2.326 7.156 845 3HG1 VAL 119 3HG1 VAL 119 4.777 3.162 5.585 846 1HG2 VAL 119 1HG2 VAL 119 8.624 3.454 6.304 847 2HG2 VAL 119 2HG2 VAL 119 8.166 2.390 7.655 848 3HG2 VAL 119 3HG2 VAL 119 7.765 1.929 5.983 849 H HIS 120 HN HIS 120 5.859 6.584 7.808 850 HA HIS 120 HA HIS 120 8.321 8.062 7.616 851 1HB HIS 120 2HB HIS 120 5.799 8.499 9.238 852 2HB HIS 120 3HB HIS 120 7.174 9.586 9.238 853 HD1 HIS 120 HD1 HIS 120 6.071 11.586 8.112 854 HD2 HIS 120 HD2 HIS 120 5.686 8.039 5.905 855 HE1 HIS 120 HE1 HIS 120 5.110 12.255 5.845 856 H GLU 121 HN GLU 121 9.887 8.281 9.254 857 HA GLU 121 HA GLU 121 9.797 6.111 11.161 858 1HB GLU 121 2HB GLU 121 11.799 6.653 9.588 859 2HB GLU 121 3HB GLU 121 12.138 7.985 10.676 860 1HG GLU 121 2HG GLU 121 11.746 5.840 12.432 861 2HG GLU 121 3HG GLU 121 12.555 5.084 11.074 862 H LYS 122 HN LYS 122 7.997 7.417 12.297 863 HA LYS 122 HA LYS 122 8.830 8.355 14.683 864 1HB LYS 122 2HB LYS 122 9.349 10.350 12.651 865 2HB LYS 122 3HB LYS 122 8.174 10.955 13.801 866 1HG LYS 122 2HG LYS 122 10.449 9.489 15.042 867 2HG LYS 122 3HG LYS 122 10.914 10.953 14.198 868 1HD LYS 122 2HD LYS 122 10.191 12.180 15.959 869 2HD LYS 122 3HD LYS 122 8.558 11.619 15.665 870 1HE LYS 122 2HE LYS 122 9.282 9.462 16.975 871 2HE LYS 122 3HE LYS 122 10.646 10.417 17.520 872 1HZ LYS 122 1HZ LYS 122 8.744 12.104 18.041 873 2HZ LYS 122 2HZ LYS 122 7.837 10.749 18.122 874 3HZ LYS 122 3HZ LYS 122 9.136 10.921 19.096 875 H ALA 123 HN ALA 123 6.993 9.943 15.677 876 HA ALA 123 HA ALA 123 4.463 8.922 14.579 877 1HB ALA 123 1HB ALA 123 4.028 8.095 16.620 878 2HB ALA 123 2HB ALA 123 5.656 8.589 17.143 879 3HB ALA 123 3HB ALA 123 4.280 9.698 17.352 880 H ASP 124 HN ASP 124 3.291 10.501 13.621 881 HA ASP 124 HA ASP 124 3.973 13.172 13.855 882 1HB ASP 124 2HB ASP 124 2.778 12.366 11.904 883 2HB ASP 124 3HB ASP 124 1.463 11.747 12.882 884 H ASP 125 HN ASP 125 2.307 11.050 15.983 885 HA ASP 125 HA ASP 125 1.118 11.290 17.780 886 1HB ASP 125 2HB ASP 125 3.008 13.324 17.883 887 2HB ASP 125 3HB ASP 125 1.521 14.219 18.126 888 H LEU 126 HN LEU 126 -0.155 11.820 15.161 889 HA LEU 126 HA LEU 126 -1.973 12.675 14.233 890 1HB LEU 126 2HB LEU 126 -2.715 12.298 17.095 891 2HB LEU 126 3HB LEU 126 -3.848 13.137 16.054 892 HG LEU 126 HG LEU 126 -2.733 10.504 15.149 893 1HD1 LEU 126 1HD1 LEU 126 -3.712 9.254 16.706 894 2HD1 LEU 126 2HD1 LEU 126 -3.914 10.742 17.661 895 3HD1 LEU 126 3HD1 LEU 126 -5.229 10.181 16.600 896 1HD2 LEU 126 1HD2 LEU 126 -4.511 10.439 13.732 897 2HD2 LEU 126 2HD2 LEU 126 -5.586 11.313 14.850 898 3HD2 LEU 126 3HD2 LEU 126 -4.365 12.204 13.910 899 H GLY 127 HN GLY 127 0.236 14.528 15.235 900 1HA GLY 127 1HA GLY 127 -0.057 16.836 14.294 901 2HA GLY 127 2HA GLY 127 -1.372 17.002 15.440 902 H LYS 128 HN LYS 128 1.669 18.019 14.995 903 HA LYS 128 HA LYS 128 2.756 17.385 17.589 904 1HB LYS 128 2HB LYS 128 4.732 18.040 16.728 905 2HB LYS 128 3HB LYS 128 3.911 17.842 15.194 906 1HG LYS 128 2HG LYS 128 3.164 20.341 15.513 907 2HG LYS 128 3HG LYS 128 4.424 20.414 16.729 908 1HD LYS 128 2HD LYS 128 6.056 19.526 14.969 909 2HD LYS 128 3HD LYS 128 4.779 19.701 13.782 910 1HE LYS 128 2HE LYS 128 5.219 22.122 15.460 911 2HE LYS 128 3HE LYS 128 6.589 21.687 14.458 912 1HZ LYS 128 1HZ LYS 128 4.354 21.414 12.886 913 2HZ LYS 128 2HZ LYS 128 4.162 22.829 13.679 914 3HZ LYS 128 3HZ LYS 128 5.501 22.571 12.781 915 H GLY 129 HN GLY 129 0.771 19.847 16.059 916 1HA GLY 129 1HA GLY 129 -0.536 21.176 17.614 917 2HA GLY 129 2HA GLY 129 0.920 21.427 18.557 918 H GLY 130 HN GLY 130 2.849 21.960 16.559 919 1HA GLY 130 1HA GLY 130 2.317 24.686 16.008 920 2HA GLY 130 2HA GLY 130 3.687 23.740 15.464 921 H ASN 131 HN ASN 131 3.424 25.013 13.417 922 HA ASN 131 HA ASN 131 1.605 23.572 11.692 923 1HB ASN 131 2HB ASN 131 0.904 25.699 10.571 924 2HB ASN 131 3HB ASN 131 0.410 25.674 12.252 925 1HD2 ASN 131 1HD2 ASN 131 1.084 27.197 13.610 926 2HD2 ASN 131 2HD2 ASN 131 2.210 28.462 13.246 927 H GLU 132 HN GLU 132 2.401 23.527 9.446 928 HA GLU 132 HA GLU 132 3.802 23.944 7.779 929 1HB GLU 132 2HB GLU 132 4.420 26.139 9.164 930 2HB GLU 132 3HB GLU 132 5.895 25.259 9.511 931 1HG GLU 132 2HG GLU 132 6.112 24.854 6.976 932 2HG GLU 132 3HG GLU 132 4.796 25.991 6.761 933 H GLN 133 HN GLN 133 3.679 21.684 9.663 934 HA GLN 133 HA GLN 133 6.089 20.438 8.837 935 1HB GLN 133 2HB GLN 133 6.333 21.716 11.246 936 2HB GLN 133 3HB GLN 133 5.737 20.161 11.790 937 1HG GLN 133 2HG GLN 133 7.962 19.586 11.707 938 2HG GLN 133 3HG GLN 133 7.607 19.290 10.016 939 1HE2 GLN 133 1HE2 GLN 133 8.466 20.533 8.458 940 2HE2 GLN 133 2HE2 GLN 133 9.565 21.846 8.717 941 H SER 134 HN SER 134 3.573 20.066 11.448 942 HA SER 134 HA SER 134 3.221 17.344 10.668 943 1HB SER 134 2HB SER 134 2.080 17.089 12.672 944 2HB SER 134 3HB SER 134 3.074 18.478 13.065 945 HG SER 134 HG SER 134 1.193 19.826 12.350 946 H THR 135 HN THR 135 2.029 20.391 9.660 947 HA THR 135 HA THR 135 -0.648 19.520 9.038 948 HB THR 135 HB THR 135 -0.747 21.825 8.031 949 HG1 THR 135 1HG THR 135 1.244 22.602 7.464 950 1HG2 THR 135 1HG2 THR 135 -1.167 22.099 10.334 951 2HG2 THR 135 2HG2 THR 135 0.405 21.406 10.801 952 3HG2 THR 135 3HG2 THR 135 0.319 23.063 10.155 953 H LYS 136 HN LYS 136 2.511 19.312 7.578 954 HA LYS 136 HA LYS 136 1.222 18.645 5.025 955 1HB LYS 136 2HB LYS 136 3.652 18.978 4.176 956 2HB LYS 136 3HB LYS 136 2.657 20.380 4.509 957 1HG LYS 136 2HG LYS 136 3.796 20.886 6.522 958 2HG LYS 136 3HG LYS 136 4.384 19.248 6.723 959 1HD LYS 136 2HD LYS 136 6.334 19.909 5.774 960 2HD LYS 136 3HD LYS 136 5.477 20.059 4.253 961 1HE LYS 136 2HE LYS 136 4.748 22.431 5.353 962 2HE LYS 136 3HE LYS 136 6.255 22.201 6.217 963 1HZ LYS 136 1HZ LYS 136 7.430 22.473 4.355 964 2HZ LYS 136 2HZ LYS 136 6.375 21.676 3.397 965 3HZ LYS 136 3HZ LYS 136 6.097 23.235 3.796 966 H THR 137 HN THR 137 3.576 17.643 7.549 967 HA THR 137 HA THR 137 3.372 14.916 6.453 968 HB THR 137 HB THR 137 5.769 14.653 7.206 969 HG1 THR 137 1HG THR 137 6.667 16.436 8.236 970 1HG2 THR 137 1HG2 THR 137 5.387 17.109 5.415 971 2HG2 THR 137 2HG2 THR 137 6.836 16.079 5.498 972 3HG2 THR 137 3HG2 THR 137 5.318 15.429 4.833 973 H GLY 138 HN GLY 138 5.283 15.459 9.298 974 1HA GLY 138 1HA GLY 138 3.193 15.304 11.220 975 2HA GLY 138 2HA GLY 138 3.841 13.712 10.881 976 H ASN 139 HN ASN 139 5.585 16.880 10.819 977 HA ASN 139 HA ASN 139 7.469 17.467 11.749 978 1HB ASN 139 2HB ASN 139 6.016 18.009 13.634 979 2HB ASN 139 3HB ASN 139 5.969 16.338 14.162 980 1HD2 ASN 139 1HD2 ASN 139 7.084 16.001 15.912 981 2HD2 ASN 139 2HD2 ASN 139 8.596 16.719 16.358 982 H ALA 140 HN ALA 140 8.324 15.414 10.429 983 HA ALA 140 HA ALA 140 10.328 14.200 11.881 984 1HB ALA 140 1HB ALA 140 9.387 12.436 12.901 985 2HB ALA 140 2HB ALA 140 7.786 12.960 12.328 986 3HB ALA 140 3HB ALA 140 8.767 11.854 11.338 987 H GLY 141 HN GLY 141 7.897 13.146 9.383 988 1HA GLY 141 1HA GLY 141 8.284 12.249 7.325 989 2HA GLY 141 2HA GLY 141 9.067 13.799 7.092 990 H SER 142 HN SER 142 9.551 10.342 7.782 991 HA SER 142 HA SER 142 12.347 10.743 7.077 992 1HB SER 142 2HB SER 142 11.258 9.644 9.550 993 2HB SER 142 3HB SER 142 12.214 8.430 8.724 994 HG SER 142 HG SER 142 13.779 9.487 9.817 995 H ARG 143 HN ARG 143 12.049 10.058 4.913 996 HA ARG 143 HA ARG 143 10.473 7.819 4.317 997 1HB ARG 143 2HB ARG 143 12.550 9.398 2.732 998 2HB ARG 143 3HB ARG 143 11.688 8.043 2.030 999 1HG ARG 143 2HG ARG 143 9.552 9.138 2.272 1000 2HG ARG 143 3HG ARG 143 10.208 10.351 3.353 1001 1HD ARG 143 2HD ARG 143 9.813 11.101 0.921 1002 2HD ARG 143 3HD ARG 143 11.394 11.459 1.586 1003 HE ARG 143 HE ARG 143 10.771 9.396 -0.454 1004 1HH1 ARG 143 2HH2 ARG 143 13.169 10.885 1.648 1005 2HH1 ARG 143 1HH2 ARG 143 14.520 10.242 0.775 1006 1HH2 ARG 143 2HH1 ARG 143 12.553 8.549 -1.607 1007 2HH2 ARG 143 1HH1 ARG 143 14.167 8.905 -1.089 1008 H LEU 144 HN LEU 144 11.094 5.649 3.885 1009 HA LEU 144 HA LEU 144 13.932 5.024 4.038 1010 1HB LEU 144 2HB LEU 144 11.932 3.580 5.768 1011 2HB LEU 144 3HB LEU 144 13.674 3.387 5.740 1012 HG LEU 144 HG LEU 144 12.392 6.004 6.530 1013 1HD1 LEU 144 1HD1 LEU 144 13.008 4.999 8.927 1014 2HD1 LEU 144 2HD1 LEU 144 11.403 4.802 8.182 1015 3HD1 LEU 144 3HD1 LEU 144 12.593 3.481 8.095 1016 1HD2 LEU 144 1HD2 LEU 144 14.814 5.947 5.941 1017 2HD2 LEU 144 2HD2 LEU 144 14.484 6.456 7.614 1018 3HD2 LEU 144 3HD2 LEU 144 15.070 4.807 7.285 1019 H ALA 145 HN ALA 145 10.766 3.240 4.105 1020 HA ALA 145 HA ALA 145 11.713 1.423 2.126 1021 1HB ALA 145 1HB ALA 145 8.873 1.852 3.123 1022 2HB ALA 145 2HB ALA 145 9.567 0.374 2.414 1023 3HB ALA 145 3HB ALA 145 10.099 0.926 4.020 1024 H CYS 146 HN CYS 146 10.151 0.990 0.144 1025 HA CYS 146 HA CYS 146 9.002 3.388 -0.928 1026 1HB CYS 146 2HB CYS 146 11.162 3.948 -1.611 1027 2HB CYS 146 3HB CYS 146 11.592 2.289 -1.979 1028 H GLY 147 HN GLY 147 7.307 1.595 -0.463 1029 1HA GLY 147 1HA GLY 147 7.345 -0.710 -2.191 1030 2HA GLY 147 2HA GLY 147 6.079 -0.216 -1.085 1031 H VAL 148 HN VAL 148 7.657 0.866 -4.178 1032 HA VAL 148 HA VAL 148 5.538 2.470 -5.010 1033 HB VAL 148 HB VAL 148 7.872 1.116 -6.300 1034 1HG1 VAL 148 1HG1 VAL 148 5.513 2.323 -7.734 1035 2HG1 VAL 148 2HG1 VAL 148 7.149 2.434 -8.427 1036 3HG1 VAL 148 3HG1 VAL 148 6.425 0.840 -8.105 1037 1HG2 VAL 148 1HG2 VAL 148 7.963 3.302 -4.973 1038 2HG2 VAL 148 2HG2 VAL 148 8.692 3.312 -6.597 1039 3HG2 VAL 148 3HG2 VAL 148 7.088 4.038 -6.338 1040 H ILE 149 HN ILE 149 3.648 2.085 -6.144 1041 HA ILE 149 HA ILE 149 2.836 -0.696 -6.227 1042 HB ILE 149 HB ILE 149 1.479 1.197 -5.231 1043 1HG1 ILE 149 2HG1 ILE 149 -0.598 0.181 -5.835 1044 2HG1 ILE 149 3HG1 ILE 149 0.039 -0.396 -7.362 1045 1HG2 ILE 149 1HG2 ILE 149 0.511 1.791 -8.000 1046 2HG2 ILE 149 2HG2 ILE 149 0.420 2.772 -6.517 1047 3HG2 ILE 149 3HG2 ILE 149 1.964 2.620 -7.390 1048 1HD1 ILE 149 1HD1 ILE 149 -0.117 -2.082 -5.375 1049 2HD1 ILE 149 2HD1 ILE 149 1.385 -2.056 -6.329 1050 3HD1 ILE 149 3HD1 ILE 149 1.323 -1.246 -4.745 1051 H GLY 150 HN GLY 150 3.280 -1.888 -7.996 1052 1HA GLY 150 1HA GLY 150 3.037 -0.552 -10.621 1053 2HA GLY 150 2HA GLY 150 4.402 -1.580 -10.235 1054 H ILE 151 HN ILE 151 2.243 -1.888 -12.316 1055 HA ILE 151 HA ILE 151 0.418 -3.845 -11.539 1056 HB ILE 151 HB ILE 151 1.626 -3.120 -14.204 1057 1HG1 ILE 151 2HG1 ILE 151 0.322 -1.341 -13.211 1058 2HG1 ILE 151 3HG1 ILE 151 -0.546 -2.023 -14.572 1059 1HG2 ILE 151 1HG2 ILE 151 -0.297 -5.280 -13.473 1060 2HG2 ILE 151 2HG2 ILE 151 -0.609 -4.344 -14.954 1061 3HG2 ILE 151 3HG2 ILE 151 0.930 -5.217 -14.761 1062 1HD1 ILE 151 1HD1 ILE 151 -1.153 -2.226 -11.632 1063 2HD1 ILE 151 2HD1 ILE 151 -2.259 -1.971 -13.003 1064 3HD1 ILE 151 3HD1 ILE 151 -1.609 -3.595 -12.674 1065 H ALA 152 HN ALA 152 0.434 -6.124 -11.654 1066 HA ALA 152 HA ALA 152 2.950 -7.392 -12.358 1067 1HB ALA 152 1HB ALA 152 2.877 -6.697 -9.846 1068 2HB ALA 152 2HB ALA 152 1.687 -8.010 -9.680 1069 3HB ALA 152 3HB ALA 152 3.333 -8.369 -10.254 1070 H GLN 153 HN GLN 153 2.628 -9.894 -12.197 1071 HA GLN 153 HA GLN 153 -0.083 -10.399 -13.138 1072 1HB GLN 153 2HB GLN 153 1.720 -10.755 -14.815 1073 2HB GLN 153 3HB GLN 153 2.501 -11.903 -13.746 1074 1HG GLN 153 2HG GLN 153 1.087 -13.582 -14.353 1075 2HG GLN 153 3HG GLN 153 -0.330 -12.580 -14.111 1076 1HE2 GLN 153 1HE2 GLN 153 1.915 -13.893 -16.338 1077 2HE2 GLN 153 2HE2 GLN 153 1.247 -13.267 -17.809 Start of MODEL 2 1 1H ALA 1 HN ALA 1 -7.021 -9.709 -15.995 2 HA ALA 1 HA ALA 1 -8.425 -8.060 -14.791 3 1HB ALA 1 1HB ALA 1 -7.837 -10.094 -12.685 4 2HB ALA 1 2HB ALA 1 -7.827 -8.388 -12.176 5 3HB ALA 1 3HB ALA 1 -9.282 -9.084 -12.929 6 H THR 2 HN THR 2 -7.118 -6.680 -12.755 7 HA THR 2 HA THR 2 -4.310 -6.610 -13.608 8 HB THR 2 HB THR 2 -6.388 -4.378 -13.665 9 HG1 THR 2 1HG THR 2 -4.233 -5.393 -15.384 10 1HG2 THR 2 1HG2 THR 2 -3.989 -3.858 -12.519 11 2HG2 THR 2 2HG2 THR 2 -3.471 -3.856 -14.222 12 3HG2 THR 2 3HG2 THR 2 -4.732 -2.726 -13.674 13 H LYS 3 HN LYS 3 -3.383 -7.377 -11.773 14 HA LYS 3 HA LYS 3 -4.164 -5.998 -9.300 15 1HB LYS 3 2HB LYS 3 -4.599 -8.479 -9.436 16 2HB LYS 3 3HB LYS 3 -2.868 -8.725 -9.552 17 1HG LYS 3 2HG LYS 3 -2.671 -7.326 -7.378 18 2HG LYS 3 3HG LYS 3 -4.410 -7.480 -7.237 19 1HD LYS 3 2HD LYS 3 -4.311 -9.846 -6.969 20 2HD LYS 3 3HD LYS 3 -2.702 -9.953 -7.655 21 1HE LYS 3 2HE LYS 3 -1.836 -8.636 -5.649 22 2HE LYS 3 3HE LYS 3 -3.440 -8.738 -4.951 23 1HZ LYS 3 1HZ LYS 3 -2.600 -10.611 -4.107 24 2HZ LYS 3 2HZ LYS 3 -3.002 -11.268 -5.547 25 3HZ LYS 3 3HZ LYS 3 -1.464 -10.798 -5.265 26 H ALA 4 HN ALA 4 -2.606 -4.926 -8.113 27 HA ALA 4 HA ALA 4 0.062 -4.897 -9.348 28 1HB ALA 4 1HB ALA 4 -0.279 -2.629 -7.696 29 2HB ALA 4 2HB ALA 4 -0.272 -2.678 -9.475 30 3HB ALA 4 3HB ALA 4 -1.809 -2.811 -8.588 31 H VAL 5 HN VAL 5 1.898 -4.589 -7.820 32 HA VAL 5 HA VAL 5 1.271 -5.426 -5.093 33 HB VAL 5 HB VAL 5 3.553 -6.700 -6.555 34 1HG1 VAL 5 1HG1 VAL 5 3.807 -7.480 -4.465 35 2HG1 VAL 5 2HG1 VAL 5 2.164 -6.991 -3.985 36 3HG1 VAL 5 3HG1 VAL 5 2.422 -8.536 -4.831 37 1HG2 VAL 5 1HG2 VAL 5 2.147 -8.594 -7.198 38 2HG2 VAL 5 2HG2 VAL 5 0.705 -7.756 -6.574 39 3HG2 VAL 5 3HG2 VAL 5 1.578 -7.098 -7.979 40 H ALA 6 HN ALA 6 2.920 -4.819 -3.542 41 HA ALA 6 HA ALA 6 5.161 -3.290 -4.500 42 1HB ALA 6 1HB ALA 6 2.652 -2.007 -3.781 43 2HB ALA 6 2HB ALA 6 3.952 -1.518 -2.667 44 3HB ALA 6 3HB ALA 6 4.148 -1.284 -4.421 45 H VAL 7 HN VAL 7 6.398 -4.878 -3.401 46 HA VAL 7 HA VAL 7 5.829 -5.396 -0.629 47 HB VAL 7 HB VAL 7 7.841 -6.822 -0.801 48 1HG1 VAL 7 1HG1 VAL 7 6.136 -8.211 -1.298 49 2HG1 VAL 7 2HG1 VAL 7 5.412 -7.072 -2.459 50 3HG1 VAL 7 3HG1 VAL 7 6.763 -8.116 -2.961 51 1HG2 VAL 7 1HG2 VAL 7 9.381 -6.478 -2.374 52 2HG2 VAL 7 2HG2 VAL 7 8.188 -6.868 -3.636 53 3HG2 VAL 7 3HG2 VAL 7 8.381 -5.187 -3.081 54 H LEU 8 HN LEU 8 6.259 -3.827 0.843 55 HA LEU 8 HA LEU 8 7.928 -1.684 0.446 56 1HB LEU 8 2HB LEU 8 6.958 -3.060 2.943 57 2HB LEU 8 3HB LEU 8 7.929 -1.603 2.997 58 HG LEU 8 HG LEU 8 5.290 -1.528 3.085 59 1HD1 LEU 8 1HD1 LEU 8 6.834 0.395 3.222 60 2HD1 LEU 8 2HD1 LEU 8 6.882 0.460 1.443 61 3HD1 LEU 8 3HD1 LEU 8 5.353 0.762 2.304 62 1HD2 LEU 8 1HD2 LEU 8 5.876 -1.683 0.124 63 2HD2 LEU 8 2HD2 LEU 8 4.737 -2.659 1.083 64 3HD2 LEU 8 3HD2 LEU 8 4.404 -0.935 0.789 65 H LYS 9 HN LYS 9 10.097 -1.222 0.808 66 HA LYS 9 HA LYS 9 11.817 -2.918 2.218 67 1HB LYS 9 2HB LYS 9 11.261 -4.337 0.144 68 2HB LYS 9 3HB LYS 9 12.211 -3.180 -0.766 69 1HG LYS 9 2HG LYS 9 14.199 -3.936 0.094 70 2HG LYS 9 3HG LYS 9 13.554 -4.095 1.715 71 1HD LYS 9 2HD LYS 9 12.584 -6.251 1.235 72 2HD LYS 9 3HD LYS 9 12.786 -6.045 -0.494 73 1HE LYS 9 2HE LYS 9 15.072 -6.526 -0.435 74 2HE LYS 9 3HE LYS 9 15.275 -5.910 1.193 75 1HZ LYS 9 1HZ LYS 9 14.053 -7.843 1.987 76 2HZ LYS 9 2HZ LYS 9 13.943 -8.426 0.466 77 3HZ LYS 9 3HZ LYS 9 15.405 -8.277 1.179 78 H GLY 10 HN GLY 10 13.211 -1.451 3.018 79 1HA GLY 10 1HA GLY 10 14.713 0.265 1.315 80 2HA GLY 10 2HA GLY 10 13.449 1.156 2.140 81 H ASP 11 HN ASP 11 13.388 1.166 4.523 82 HA ASP 11 HA ASP 11 15.642 1.805 5.715 83 1HB ASP 11 2HB ASP 11 13.289 1.816 6.690 84 2HB ASP 11 3HB ASP 11 13.486 0.117 7.067 85 H GLY 12 HN GLY 12 14.287 -1.529 5.350 86 1HA GLY 12 1HA GLY 12 16.219 -3.135 4.914 87 2HA GLY 12 2HA GLY 12 16.757 -2.651 6.510 88 HA PRO 13 HA PRO 13 13.851 -5.303 8.362 89 1HB PRO 13 2HB PRO 13 12.669 -3.901 10.389 90 2HB PRO 13 3HB PRO 13 14.282 -4.576 10.504 91 1HG PRO 13 2HG PRO 13 13.476 -1.759 10.116 92 2HG PRO 13 3HG PRO 13 15.019 -2.395 10.651 93 1HD PRO 13 2HD PRO 13 14.394 -1.376 8.043 94 2HD PRO 13 3HD PRO 13 15.900 -2.119 8.545 95 H VAL 14 HN VAL 14 12.178 -2.207 8.037 96 HA VAL 14 HA VAL 14 9.628 -3.234 7.951 97 HB VAL 14 HB VAL 14 10.257 -0.866 8.157 98 1HG1 VAL 14 1HG1 VAL 14 11.516 0.216 6.662 99 2HG1 VAL 14 2HG1 VAL 14 11.748 -1.338 5.826 100 3HG1 VAL 14 3HG1 VAL 14 10.433 -0.246 5.327 101 1HG2 VAL 14 1HG2 VAL 14 7.959 -1.427 7.597 102 2HG2 VAL 14 2HG2 VAL 14 8.444 0.053 6.736 103 3HG2 VAL 14 3HG2 VAL 14 8.366 -1.497 5.866 104 H GLN 15 HN GLN 15 9.148 -5.046 6.765 105 HA GLN 15 HA GLN 15 9.726 -4.816 3.915 106 1HB GLN 15 2HB GLN 15 11.105 -6.569 5.167 107 2HB GLN 15 3HB GLN 15 9.610 -7.430 5.476 108 1HG GLN 15 2HG GLN 15 9.550 -6.849 2.699 109 2HG GLN 15 3HG GLN 15 11.207 -7.321 3.022 110 1HE2 GLN 15 1HE2 GLN 15 8.098 -8.291 4.459 111 2HE2 GLN 15 2HE2 GLN 15 8.237 -9.992 4.161 112 H GLY 16 HN GLY 16 7.421 -3.674 4.752 113 1HA GLY 16 1HA GLY 16 5.193 -5.270 5.186 114 2HA GLY 16 2HA GLY 16 5.196 -3.683 4.443 115 H ILE 17 HN ILE 17 3.343 -5.610 3.611 116 HA ILE 17 HA ILE 17 4.248 -6.010 0.870 117 HB ILE 17 HB ILE 17 3.235 -8.157 2.716 118 1HG1 ILE 17 2HG1 ILE 17 5.483 -8.399 0.736 119 2HG1 ILE 17 3HG1 ILE 17 5.750 -7.560 2.251 120 1HG2 ILE 17 1HG2 ILE 17 2.780 -7.848 -0.198 121 2HG2 ILE 17 2HG2 ILE 17 3.346 -9.443 0.352 122 3HG2 ILE 17 3HG2 ILE 17 1.854 -8.747 1.028 123 1HD1 ILE 17 1HD1 ILE 17 5.284 -9.490 3.557 124 2HD1 ILE 17 2HD1 ILE 17 4.446 -10.302 2.213 125 3HD1 ILE 17 3HD1 ILE 17 6.216 -10.121 2.178 126 H ILE 18 HN ILE 18 2.916 -4.521 -0.073 127 HA ILE 18 HA ILE 18 0.061 -4.807 0.561 128 HB ILE 18 HB ILE 18 0.688 -2.739 1.442 129 1HG1 ILE 18 2HG1 ILE 18 -1.323 -2.765 -0.082 130 2HG1 ILE 18 3HG1 ILE 18 -0.618 -1.190 0.223 131 1HG2 ILE 18 1HG2 ILE 18 2.466 -2.531 -0.960 132 2HG2 ILE 18 2HG2 ILE 18 1.891 -1.046 -0.165 133 3HG2 ILE 18 3HG2 ILE 18 2.825 -2.246 0.760 134 1HD1 ILE 18 1HD1 ILE 18 -0.482 -0.910 -2.020 135 2HD1 ILE 18 2HD1 ILE 18 0.781 -2.164 -2.035 136 3HD1 ILE 18 3HD1 ILE 18 -0.920 -2.611 -2.309 137 H ASN 19 HN ASN 19 -1.368 -4.997 -1.164 138 HA ASN 19 HA ASN 19 -0.093 -4.953 -3.784 139 1HB ASN 19 2HB ASN 19 -2.410 -6.816 -3.328 140 2HB ASN 19 3HB ASN 19 -1.011 -7.028 -4.361 141 1HD2 ASN 19 1HD2 ASN 19 0.593 -8.267 -3.712 142 2HD2 ASN 19 2HD2 ASN 19 0.839 -8.892 -2.115 143 H PHE 20 HN PHE 20 -1.963 -4.882 -5.571 144 HA PHE 20 HA PHE 20 -4.171 -3.247 -4.537 145 1HB PHE 20 2HB PHE 20 -2.056 -2.817 -6.608 146 2HB PHE 20 3HB PHE 20 -3.670 -2.500 -7.215 147 HD1 PHE 20 1HD PHE 20 -1.656 -1.736 -4.156 148 HD2 PHE 20 2HD PHE 20 -4.414 -0.332 -7.060 149 HE1 PHE 20 1HE PHE 20 -1.606 0.542 -3.103 150 HE2 PHE 20 2HE PHE 20 -4.364 1.946 -6.007 151 HZ PHE 20 HZ PHE 20 -2.961 2.355 -4.041 152 H GLU 21 HN GLU 21 -6.208 -3.799 -5.247 153 HA GLU 21 HA GLU 21 -6.280 -5.771 -7.396 154 1HB GLU 21 2HB GLU 21 -6.756 -6.636 -5.004 155 2HB GLU 21 3HB GLU 21 -8.241 -5.708 -5.072 156 1HG GLU 21 2HG GLU 21 -8.771 -7.962 -5.786 157 2HG GLU 21 3HG GLU 21 -8.853 -6.936 -7.205 158 H GLN 22 HN GLN 22 -7.516 -5.173 -9.132 159 HA GLN 22 HA GLN 22 -9.833 -3.566 -8.692 160 1HB GLN 22 2HB GLN 22 -8.181 -1.782 -8.809 161 2HB GLN 22 3HB GLN 22 -7.447 -2.477 -10.241 162 1HG GLN 22 2HG GLN 22 -10.208 -2.175 -10.874 163 2HG GLN 22 3HG GLN 22 -9.758 -0.702 -10.039 164 1HE2 GLN 22 1HE2 GLN 22 -8.894 0.848 -11.182 165 2HE2 GLN 22 2HE2 GLN 22 -8.097 0.705 -12.714 166 H LYS 23 HN LYS 23 -10.772 -5.574 -9.522 167 HA LYS 23 HA LYS 23 -10.062 -6.317 -12.222 168 1HB LYS 23 2HB LYS 23 -12.160 -7.470 -10.362 169 2HB LYS 23 3HB LYS 23 -11.608 -8.172 -11.869 170 1HG LYS 23 2HG LYS 23 -9.619 -8.913 -10.962 171 2HG LYS 23 3HG LYS 23 -9.434 -7.504 -9.937 172 1HD LYS 23 2HD LYS 23 -10.164 -8.729 -8.177 173 2HD LYS 23 3HD LYS 23 -11.735 -8.849 -8.945 174 1HE LYS 23 2HE LYS 23 -11.310 -10.977 -9.822 175 2HE LYS 23 3HE LYS 23 -9.580 -10.714 -9.922 176 1HZ LYS 23 1HZ LYS 23 -9.616 -11.978 -8.097 177 2HZ LYS 23 2HZ LYS 23 -9.941 -10.580 -7.317 178 3HZ LYS 23 3HZ LYS 23 -11.154 -11.608 -7.691 179 H GLU 24 HN GLU 24 -10.834 -3.709 -12.314 180 HA GLU 24 HA GLU 24 -13.204 -3.947 -13.884 181 1HB GLU 24 2HB GLU 24 -13.237 -2.680 -11.193 182 2HB GLU 24 3HB GLU 24 -13.943 -1.701 -12.463 183 1HG GLU 24 2HG GLU 24 -14.700 -4.604 -11.877 184 2HG GLU 24 3HG GLU 24 -15.618 -3.207 -11.352 185 H SER 25 HN SER 25 -13.316 -2.317 -15.498 186 HA SER 25 HA SER 25 -10.857 -0.913 -15.828 187 1HB SER 25 2HB SER 25 -12.599 -2.069 -17.579 188 2HB SER 25 3HB SER 25 -13.159 -0.411 -17.675 189 HG SER 25 HG SER 25 -11.332 0.205 -18.663 190 H ASN 26 HN ASN 26 -13.806 -0.322 -14.228 191 HA ASN 26 HA ASN 26 -13.118 2.446 -13.998 192 1HB ASN 26 2HB ASN 26 -15.437 3.232 -14.536 193 2HB ASN 26 3HB ASN 26 -14.668 2.501 -15.931 194 1HD2 ASN 26 1HD2 ASN 26 -17.124 2.545 -16.352 195 2HD2 ASN 26 2HD2 ASN 26 -17.988 1.083 -16.012 196 H GLY 27 HN GLY 27 -13.112 0.048 -12.274 197 1HA GLY 27 1HA GLY 27 -15.354 0.622 -10.435 198 2HA GLY 27 2HA GLY 27 -14.513 -0.909 -10.571 199 HA PRO 28 HA PRO 28 -12.526 1.598 -7.280 200 1HB PRO 28 2HB PRO 28 -13.220 0.101 -5.102 201 2HB PRO 28 3HB PRO 28 -14.101 1.531 -5.602 202 1HG PRO 28 2HG PRO 28 -14.854 -1.311 -5.906 203 2HG PRO 28 3HG PRO 28 -15.874 0.111 -6.001 204 1HD PRO 28 2HD PRO 28 -14.902 -1.455 -8.199 205 2HD PRO 28 3HD PRO 28 -15.824 0.032 -8.299 206 H VAL 29 HN VAL 29 -10.596 1.195 -6.042 207 HA VAL 29 HA VAL 29 -9.443 -1.356 -6.931 208 HB VAL 29 HB VAL 29 -8.039 1.211 -6.168 209 1HG1 VAL 29 1HG1 VAL 29 -7.142 -1.511 -6.781 210 2HG1 VAL 29 2HG1 VAL 29 -6.370 -0.275 -7.804 211 3HG1 VAL 29 3HG1 VAL 29 -6.265 -0.155 -6.031 212 1HG2 VAL 29 1HG2 VAL 29 -9.568 1.147 -8.309 213 2HG2 VAL 29 2HG2 VAL 29 -7.938 1.858 -8.385 214 3HG2 VAL 29 3HG2 VAL 29 -8.219 0.209 -8.994 215 H LYS 30 HN LYS 30 -9.961 -2.742 -5.249 216 HA LYS 30 HA LYS 30 -9.937 -1.925 -2.554 217 1HB LYS 30 2HB LYS 30 -9.937 -4.640 -3.894 218 2HB LYS 30 3HB LYS 30 -10.007 -4.435 -2.155 219 1HG LYS 30 2HG LYS 30 -12.081 -3.124 -2.336 220 2HG LYS 30 3HG LYS 30 -11.976 -3.121 -4.085 221 1HD LYS 30 2HD LYS 30 -12.731 -5.296 -4.280 222 2HD LYS 30 3HD LYS 30 -11.906 -5.829 -2.829 223 1HE LYS 30 2HE LYS 30 -13.659 -4.428 -1.511 224 2HE LYS 30 3HE LYS 30 -14.549 -4.325 -3.017 225 1HZ LYS 30 1HZ LYS 30 -13.761 -6.972 -2.563 226 2HZ LYS 30 2HZ LYS 30 -14.537 -6.411 -1.240 227 3HZ LYS 30 3HZ LYS 30 -15.271 -6.364 -2.698 228 H VAL 31 HN VAL 31 -8.013 -0.905 -1.970 229 HA VAL 31 HA VAL 31 -5.543 -2.367 -2.446 230 HB VAL 31 HB VAL 31 -5.947 0.331 -1.152 231 1HG1 VAL 31 1HG1 VAL 31 -3.574 -1.095 -2.377 232 2HG1 VAL 31 2HG1 VAL 31 -3.600 0.662 -2.098 233 3HG1 VAL 31 3HG1 VAL 31 -3.754 -0.459 -0.725 234 1HG2 VAL 31 1HG2 VAL 31 -6.115 -0.482 -4.004 235 2HG2 VAL 31 2HG2 VAL 31 -6.830 0.913 -3.159 236 3HG2 VAL 31 3HG2 VAL 31 -5.120 0.952 -3.653 237 H TRP 32 HN TRP 32 -4.306 -3.312 -0.828 238 HA TRP 32 HA TRP 32 -4.921 -2.849 1.924 239 1HB TRP 32 2HB TRP 32 -5.821 -4.897 2.545 240 2HB TRP 32 3HB TRP 32 -6.746 -4.419 1.136 241 HD1 TRP 32 HD1 TRP 32 -4.021 -6.975 2.155 242 HE1 TRP 32 HE1 TRP 32 -3.943 -8.999 0.463 243 HE3 TRP 32 HE3 TRP 32 -7.319 -5.002 -1.174 244 HZ2 TRP 32 HZ2 TRP 32 -5.239 -9.535 -2.021 245 HZ3 TRP 32 HZ3 TRP 32 -7.859 -6.340 -3.207 246 HH2 TRP 32 HH2 TRP 32 -6.878 -8.534 -3.656 247 H GLY 33 HN GLY 33 -3.264 -3.862 3.292 248 1HA GLY 33 1HA GLY 33 -1.223 -5.497 2.145 249 2HA GLY 33 2HA GLY 33 -0.715 -3.824 2.263 250 H SER 34 HN SER 34 0.879 -5.110 3.782 251 HA SER 34 HA SER 34 0.004 -4.513 6.424 252 1HB SER 34 2HB SER 34 0.662 -6.820 7.296 253 2HB SER 34 3HB SER 34 -0.853 -6.747 6.417 254 HG SER 34 HG SER 34 1.683 -7.794 5.547 255 H ILE 35 HN ILE 35 1.749 -3.602 7.466 256 HA ILE 35 HA ILE 35 4.322 -3.822 6.173 257 HB ILE 35 HB ILE 35 2.918 -1.896 7.745 258 1HG1 ILE 35 2HG1 ILE 35 5.659 -1.366 6.709 259 2HG1 ILE 35 3HG1 ILE 35 4.464 -1.894 5.541 260 1HG2 ILE 35 1HG2 ILE 35 5.688 -2.520 8.803 261 2HG2 ILE 35 2HG2 ILE 35 4.629 -1.176 9.293 262 3HG2 ILE 35 3HG2 ILE 35 4.162 -2.855 9.656 263 1HD1 ILE 35 1HD1 ILE 35 4.075 0.428 7.487 264 2HD1 ILE 35 2HD1 ILE 35 4.523 0.593 5.772 265 3HD1 ILE 35 3HD1 ILE 35 2.935 -0.078 6.217 266 H LYS 36 HN LYS 36 6.315 -4.179 7.570 267 HA LYS 36 HA LYS 36 5.912 -5.716 9.953 268 1HB LYS 36 2HB LYS 36 6.944 -7.101 7.459 269 2HB LYS 36 3HB LYS 36 7.017 -7.761 9.080 270 1HG LYS 36 2HG LYS 36 4.463 -7.443 9.199 271 2HG LYS 36 3HG LYS 36 4.508 -7.078 7.486 272 1HD LYS 36 2HD LYS 36 5.529 -9.295 7.015 273 2HD LYS 36 3HD LYS 36 5.572 -9.660 8.728 274 1HE LYS 36 2HE LYS 36 2.890 -8.840 7.718 275 2HE LYS 36 3HE LYS 36 3.494 -10.333 7.028 276 1HZ LYS 36 1HZ LYS 36 2.320 -10.106 9.421 277 2HZ LYS 36 2HZ LYS 36 3.252 -11.365 8.959 278 3HZ LYS 36 3HZ LYS 36 3.897 -10.152 9.841 279 H GLY 37 HN GLY 37 7.334 -4.598 11.190 280 1HA GLY 37 1HA GLY 37 9.896 -4.812 11.426 281 2HA GLY 37 2HA GLY 37 9.902 -3.818 9.982 282 H LEU 38 HN LEU 38 7.570 -2.186 10.557 283 HA LEU 38 HA LEU 38 8.741 -0.140 11.985 284 1HB LEU 38 2HB LEU 38 5.998 -0.786 11.027 285 2HB LEU 38 3HB LEU 38 6.165 0.505 12.199 286 HG LEU 38 HG LEU 38 8.140 0.995 10.240 287 1HD1 LEU 38 1HD1 LEU 38 5.558 0.796 8.754 288 2HD1 LEU 38 2HD1 LEU 38 7.235 0.747 8.160 289 3HD1 LEU 38 3HD1 LEU 38 6.532 -0.679 8.962 290 1HD2 LEU 38 1HD2 LEU 38 7.129 3.068 10.067 291 2HD2 LEU 38 2HD2 LEU 38 5.490 2.409 10.282 292 3HD2 LEU 38 3HD2 LEU 38 6.593 2.521 11.674 293 H THR 39 HN THR 39 6.985 0.802 13.919 294 HA THR 39 HA THR 39 6.942 -1.340 15.931 295 HB THR 39 HB THR 39 7.800 0.521 17.526 296 HG1 THR 39 1HG THR 39 7.718 2.394 16.297 297 1HG2 THR 39 1HG2 THR 39 9.297 -1.098 15.597 298 2HG2 THR 39 2HG2 THR 39 10.123 0.453 15.883 299 3HG2 THR 39 3HG2 THR 39 9.759 -0.626 17.251 300 H GLU 40 HN GLU 40 5.176 -1.400 17.243 301 HA GLU 40 HA GLU 40 2.848 -0.434 16.459 302 1HB GLU 40 2HB GLU 40 2.022 -0.777 18.746 303 2HB GLU 40 3HB GLU 40 3.172 -2.032 18.331 304 1HG GLU 40 2HG GLU 40 4.274 -1.490 20.244 305 2HG GLU 40 3HG GLU 40 4.811 -0.043 19.416 306 H GLY 41 HN GLY 41 1.907 1.543 16.172 307 1HA GLY 41 1HA GLY 41 1.663 3.615 17.833 308 2HA GLY 41 2HA GLY 41 3.275 3.891 17.205 309 H LEU 42 HN LEU 42 2.741 5.783 16.022 310 HA LEU 42 HA LEU 42 0.759 5.408 13.899 311 1HB LEU 42 2HB LEU 42 1.953 7.909 15.101 312 2HB LEU 42 3HB LEU 42 0.849 7.887 13.740 313 HG LEU 42 HG LEU 42 -0.753 8.184 15.267 314 1HD1 LEU 42 1HD1 LEU 42 -1.764 6.210 16.167 315 2HD1 LEU 42 2HD1 LEU 42 -1.046 5.794 14.592 316 3HD1 LEU 42 3HD1 LEU 42 -0.223 5.321 16.098 317 1HD2 LEU 42 1HD2 LEU 42 1.177 7.145 17.357 318 2HD2 LEU 42 2HD2 LEU 42 0.764 8.840 17.003 319 3HD2 LEU 42 3HD2 LEU 42 -0.459 7.755 17.707 320 H HIS 43 HN HIS 43 1.289 6.018 11.706 321 HA HIS 43 HA HIS 43 4.060 6.557 11.148 322 1HB HIS 43 2HB HIS 43 2.824 4.086 9.926 323 2HB HIS 43 3HB HIS 43 4.487 4.631 9.821 324 HD1 HIS 43 HD1 HIS 43 5.716 4.751 12.369 325 HD2 HIS 43 HD2 HIS 43 2.470 2.152 11.815 326 HE1 HIS 43 HE1 HIS 43 5.850 3.030 14.247 327 H GLY 44 HN GLY 44 3.972 8.201 9.710 328 1HA GLY 44 1HA GLY 44 1.585 8.818 8.289 329 2HA GLY 44 2HA GLY 44 3.145 9.605 8.150 330 H PHE 45 HN PHE 45 1.285 6.675 7.151 331 HA PHE 45 HA PHE 45 3.193 5.907 5.199 332 1HB PHE 45 2HB PHE 45 1.125 4.720 6.514 333 2HB PHE 45 3HB PHE 45 0.222 5.252 5.109 334 HD1 PHE 45 1HD PHE 45 -0.269 3.261 3.999 335 HD2 PHE 45 2HD PHE 45 3.721 3.997 5.242 336 HE1 PHE 45 1HE PHE 45 0.499 1.232 2.736 337 HE2 PHE 45 2HE PHE 45 4.489 1.968 3.980 338 HZ PHE 45 HZ PHE 45 2.869 0.610 2.742 339 H HIS 46 HN HIS 46 3.606 6.999 3.340 340 HA HIS 46 HA HIS 46 1.599 7.553 1.504 341 1HB HIS 46 2HB HIS 46 1.533 9.983 1.517 342 2HB HIS 46 3HB HIS 46 0.926 9.331 3.026 343 HD1 HIS 46 HD1 HIS 46 4.327 10.574 1.728 344 HD2 HIS 46 HD2 HIS 46 1.938 10.659 5.175 345 HE1 HIS 46 HE1 HIS 46 5.588 11.988 3.437 346 H VAL 47 HN VAL 47 2.612 9.189 -0.278 347 HA VAL 47 HA VAL 47 5.146 8.005 -0.896 348 HB VAL 47 HB VAL 47 3.682 10.191 -2.373 349 1HG1 VAL 47 1HG1 VAL 47 5.557 7.997 -3.323 350 2HG1 VAL 47 2HG1 VAL 47 4.779 9.230 -4.344 351 3HG1 VAL 47 3HG1 VAL 47 5.977 9.715 -3.121 352 1HG2 VAL 47 1HG2 VAL 47 1.956 8.788 -2.620 353 2HG2 VAL 47 2HG2 VAL 47 3.037 7.776 -3.607 354 3HG2 VAL 47 3HG2 VAL 47 2.846 7.442 -1.869 355 H HIS 48 HN HIS 48 7.058 9.350 -1.554 356 HA HIS 48 HA HIS 48 7.155 11.975 -0.376 357 1HB HIS 48 2HB HIS 48 7.909 11.219 1.594 358 2HB HIS 48 3HB HIS 48 8.243 9.616 0.970 359 HD1 HIS 48 HD1 HIS 48 10.567 9.615 -0.675 360 HD2 HIS 48 HD2 HIS 48 10.181 12.544 2.303 361 HE1 HIS 48 HE1 HIS 48 12.920 10.496 -0.230 362 H GLU 49 HN GLU 49 9.509 12.898 -0.752 363 HA GLU 49 HA GLU 49 11.260 11.809 -2.478 364 1HB GLU 49 2HB GLU 49 8.807 12.583 -3.876 365 2HB GLU 49 3HB GLU 49 10.185 13.466 -4.501 366 1HG GLU 49 2HG GLU 49 10.424 10.481 -4.043 367 2HG GLU 49 3HG GLU 49 9.586 11.065 -5.467 368 H GLU 50 HN GLU 50 11.858 13.284 -0.450 369 HA GLU 50 HA GLU 50 12.088 16.030 -1.388 370 1HB GLU 50 2HB GLU 50 11.112 15.170 0.994 371 2HB GLU 50 3HB GLU 50 12.805 15.295 1.429 372 1HG GLU 50 2HG GLU 50 11.962 17.635 -0.121 373 2HG GLU 50 3HG GLU 50 10.922 17.411 1.271 374 H GLU 51 HN GLU 51 14.124 17.026 -1.597 375 HA GLU 51 HA GLU 51 16.233 17.004 -2.194 376 1HB GLU 51 2HB GLU 51 17.797 16.680 -0.363 377 2HB GLU 51 3HB GLU 51 16.320 17.362 0.289 378 1HG GLU 51 2HG GLU 51 15.654 15.320 1.288 379 2HG GLU 51 3HG GLU 51 16.643 14.352 0.213 380 H ASP 52 HN ASP 52 18.356 15.075 -1.246 381 HA ASP 52 HA ASP 52 17.520 12.552 -2.253 382 1HB ASP 52 2HB ASP 52 19.512 12.668 -3.987 383 2HB ASP 52 3HB ASP 52 17.937 13.297 -4.427 384 H ASN 53 HN ASN 53 18.579 11.228 -0.770 385 HA ASN 53 HA ASN 53 21.329 11.185 -0.573 386 1HB ASN 53 2HB ASN 53 19.898 12.890 1.451 387 2HB ASN 53 3HB ASN 53 21.117 11.806 2.090 388 1HD2 ASN 53 1HD2 ASN 53 20.798 14.820 1.508 389 2HD2 ASN 53 2HD2 ASN 53 22.301 15.282 0.781 390 H THR 54 HN THR 54 19.820 9.095 -1.069 391 HA THR 54 HA THR 54 19.867 7.524 1.356 392 HB THR 54 HB THR 54 17.622 8.391 1.574 393 HG1 THR 54 1HG THR 54 16.897 6.297 1.643 394 1HG2 THR 54 1HG2 THR 54 16.748 7.443 -1.136 395 2HG2 THR 54 2HG2 THR 54 16.155 8.820 -0.176 396 3HG2 THR 54 3HG2 THR 54 17.668 8.967 -1.103 397 H ALA 55 HN ALA 55 18.854 7.636 -2.121 398 HA ALA 55 HA ALA 55 20.735 5.926 -3.061 399 1HB ALA 55 1HB ALA 55 18.723 4.519 -1.465 400 2HB ALA 55 2HB ALA 55 18.793 3.916 -3.138 401 3HB ALA 55 3HB ALA 55 20.263 3.926 -2.133 402 H GLY 56 HN GLY 56 17.234 5.210 -3.469 403 1HA GLY 56 1HA GLY 56 16.081 6.803 -5.080 404 2HA GLY 56 2HA GLY 56 17.413 6.424 -6.154 405 H CYS 57 HN CYS 57 14.667 4.994 -4.312 406 HA CYS 57 HA CYS 57 14.818 2.670 -6.077 407 1HB CYS 57 2HB CYS 57 13.299 1.592 -4.448 408 2HB CYS 57 3HB CYS 57 14.866 2.025 -3.793 409 H THR 58 HN THR 58 13.784 5.538 -6.601 410 HA THR 58 HA THR 58 11.018 4.783 -7.285 411 HB THR 58 HB THR 58 10.446 7.143 -6.936 412 HG1 THR 58 1HG THR 58 12.426 8.076 -7.707 413 1HG2 THR 58 1HG2 THR 58 11.558 5.537 -4.820 414 2HG2 THR 58 2HG2 THR 58 12.161 7.197 -4.599 415 3HG2 THR 58 3HG2 THR 58 10.409 6.887 -4.668 416 H SER 59 HN SER 59 10.928 7.404 -8.841 417 HA SER 59 HA SER 59 12.752 7.619 -10.760 418 1HB SER 59 2HB SER 59 11.559 6.188 -12.645 419 2HB SER 59 3HB SER 59 12.768 5.456 -11.609 420 HG SER 59 HG SER 59 9.905 5.344 -11.166 421 H ALA 60 HN ALA 60 11.799 9.733 -10.536 422 HA ALA 60 HA ALA 60 9.785 10.299 -12.418 423 1HB ALA 60 1HB ALA 60 9.000 10.172 -9.493 424 2HB ALA 60 2HB ALA 60 8.153 11.230 -10.647 425 3HB ALA 60 3HB ALA 60 8.166 9.469 -10.900 426 H GLY 61 HN GLY 61 10.762 11.581 -9.154 427 1HA GLY 61 1HA GLY 61 12.654 13.387 -9.911 428 2HA GLY 61 2HA GLY 61 11.145 14.218 -10.233 429 HA PRO 62 HA PRO 62 12.174 14.054 -5.644 430 1HB PRO 62 2HB PRO 62 14.086 15.966 -5.251 431 2HB PRO 62 3HB PRO 62 14.449 14.255 -5.352 432 1HG PRO 62 2HG PRO 62 14.902 16.368 -7.369 433 2HG PRO 62 3HG PRO 62 15.624 14.774 -7.268 434 1HD PRO 62 2HD PRO 62 13.531 15.600 -9.047 435 2HD PRO 62 3HD PRO 62 14.172 13.980 -8.864 436 H HIS 63 HN HIS 63 10.009 14.987 -6.751 437 HA HIS 63 HA HIS 63 9.616 17.376 -5.215 438 1HB HIS 63 2HB HIS 63 10.342 17.671 -7.903 439 2HB HIS 63 3HB HIS 63 8.600 17.860 -7.902 440 HD1 HIS 63 HD1 HIS 63 7.762 20.154 -7.355 441 HD2 HIS 63 HD2 HIS 63 11.626 19.483 -5.866 442 HE1 HIS 63 HE1 HIS 63 8.536 22.369 -6.351 443 H PHE 64 HN PHE 64 8.686 14.738 -4.873 444 HA PHE 64 HA PHE 64 6.864 13.478 -4.758 445 1HB PHE 64 2HB PHE 64 5.356 16.144 -4.738 446 2HB PHE 64 3HB PHE 64 4.980 14.711 -3.803 447 HD1 PHE 64 1HD PHE 64 6.682 14.011 -1.996 448 HD2 PHE 64 2HD PHE 64 6.643 17.851 -3.801 449 HE1 PHE 64 1HE PHE 64 7.979 14.936 -0.056 450 HE2 PHE 64 2HE PHE 64 7.940 18.776 -1.862 451 HZ PHE 64 HZ PHE 64 8.593 17.307 -0.013 452 H ASN 65 HN ASN 65 4.096 14.099 -5.490 453 HA ASN 65 HA ASN 65 4.372 13.514 -8.281 454 1HB ASN 65 2HB ASN 65 1.962 13.604 -6.394 455 2HB ASN 65 3HB ASN 65 1.827 13.187 -8.090 456 1HD2 ASN 65 1HD2 ASN 65 3.048 12.255 -4.963 457 2HD2 ASN 65 2HD2 ASN 65 3.383 10.591 -5.307 458 HA PRO 66 HA PRO 66 3.012 17.482 -9.559 459 1HB PRO 66 2HB PRO 66 1.708 16.959 -11.903 460 2HB PRO 66 3HB PRO 66 3.454 17.036 -11.774 461 1HG PRO 66 2HG PRO 66 1.718 14.658 -12.033 462 2HG PRO 66 3HG PRO 66 3.440 14.797 -12.327 463 1HD PRO 66 2HD PRO 66 2.180 13.623 -10.033 464 2HD PRO 66 3HD PRO 66 3.898 13.867 -10.275 465 H LEU 67 HN LEU 67 1.646 17.294 -7.486 466 HA LEU 67 HA LEU 67 -0.817 18.455 -8.129 467 1HB LEU 67 2HB LEU 67 -0.790 15.535 -7.916 468 2HB LEU 67 3HB LEU 67 -1.927 16.299 -6.823 469 HG LEU 67 HG LEU 67 -1.988 17.284 -9.620 470 1HD1 LEU 67 1HD1 LEU 67 -2.094 15.294 -10.604 471 2HD1 LEU 67 2HD1 LEU 67 -2.109 14.442 -9.041 472 3HD1 LEU 67 3HD1 LEU 67 -3.632 15.036 -9.745 473 1HD2 LEU 67 1HD2 LEU 67 -3.549 17.675 -7.456 474 2HD2 LEU 67 2HD2 LEU 67 -4.126 17.819 -9.133 475 3HD2 LEU 67 3HD2 LEU 67 -4.414 16.320 -8.219 476 H SER 68 HN SER 68 1.186 16.580 -5.808 477 HA SER 68 HA SER 68 0.039 17.312 -3.488 478 1HB SER 68 2HB SER 68 2.464 17.254 -2.567 479 2HB SER 68 3HB SER 68 1.856 15.810 -3.354 480 HG SER 68 HG SER 68 3.710 17.765 -4.365 481 H ARG 69 HN ARG 69 -0.796 19.403 -3.248 482 HA ARG 69 HA ARG 69 0.837 21.617 -3.994 483 1HB ARG 69 2HB ARG 69 -1.915 21.419 -2.675 484 2HB ARG 69 3HB ARG 69 -1.157 22.948 -3.075 485 1HG ARG 69 2HG ARG 69 -0.940 21.392 -5.438 486 2HG ARG 69 3HG ARG 69 -2.549 21.058 -4.830 487 1HD ARG 69 2HD ARG 69 -2.943 22.985 -6.112 488 2HD ARG 69 3HD ARG 69 -2.708 23.684 -4.523 489 HE ARG 69 HE ARG 69 -0.669 24.614 -5.238 490 1HH1 ARG 69 2HH2 ARG 69 -1.780 22.240 -7.585 491 2HH1 ARG 69 1HH2 ARG 69 -0.593 22.669 -8.772 492 1HH2 ARG 69 2HH1 ARG 69 0.896 25.182 -6.803 493 2HH2 ARG 69 1HH1 ARG 69 0.939 24.354 -8.324 494 H LYS 70 HN LYS 70 1.520 19.658 -1.685 495 HA LYS 70 HA LYS 70 2.360 19.722 0.357 496 1HB LYS 70 2HB LYS 70 2.952 22.450 -0.707 497 2HB LYS 70 3HB LYS 70 3.240 22.165 0.997 498 1HG LYS 70 2HG LYS 70 4.659 20.196 0.453 499 2HG LYS 70 3HG LYS 70 4.333 20.413 -1.255 500 1HD LYS 70 2HD LYS 70 5.309 22.802 -0.985 501 2HD LYS 70 3HD LYS 70 5.879 22.282 0.588 502 1HE LYS 70 2HE LYS 70 7.721 21.866 -0.864 503 2HE LYS 70 3HE LYS 70 6.996 20.287 -0.632 504 1HZ LYS 70 1HZ LYS 70 6.878 22.011 -2.971 505 2HZ LYS 70 2HZ LYS 70 7.197 20.412 -2.882 506 3HZ LYS 70 3HZ LYS 70 5.664 20.949 -2.713 507 H HIS 71 HN HIS 71 2.066 20.568 2.653 508 HA HIS 71 HA HIS 71 0.764 21.100 4.336 509 1HB HIS 71 2HB HIS 71 -0.271 23.012 2.269 510 2HB HIS 71 3HB HIS 71 -1.133 22.855 3.786 511 HD1 HIS 71 HD1 HIS 71 2.500 23.440 2.675 512 HD2 HIS 71 HD2 HIS 71 -0.180 24.534 5.711 513 HE1 HIS 71 HE1 HIS 71 3.737 25.113 4.152 514 H GLY 72 HN GLY 72 -0.872 19.983 5.354 515 1HA GLY 72 1HA GLY 72 -3.360 19.429 4.806 516 2HA GLY 72 2HA GLY 72 -2.612 18.397 3.603 517 H GLY 73 HN GLY 73 -4.231 17.466 5.823 518 1HA GLY 73 1HA GLY 73 -2.533 15.424 6.819 519 2HA GLY 73 2HA GLY 73 -2.826 16.627 8.059 520 HA PRO 74 HA PRO 74 -6.564 14.503 8.760 521 1HB PRO 74 2HB PRO 74 -7.608 16.125 10.695 522 2HB PRO 74 3HB PRO 74 -6.428 14.873 11.029 523 1HG PRO 74 2HG PRO 74 -6.040 17.801 10.910 524 2HG PRO 74 3HG PRO 74 -5.011 16.586 11.642 525 1HD PRO 74 2HD PRO 74 -4.575 17.925 9.143 526 2HD PRO 74 3HD PRO 74 -3.610 16.628 9.820 527 H LYS 75 HN LYS 75 -7.158 17.988 8.933 528 HA LYS 75 HA LYS 75 -9.708 17.784 7.842 529 1HB LYS 75 2HB LYS 75 -8.083 19.780 8.925 530 2HB LYS 75 3HB LYS 75 -8.370 20.316 7.282 531 1HG LYS 75 2HG LYS 75 -10.265 21.181 8.330 532 2HG LYS 75 3HG LYS 75 -10.890 19.633 7.798 533 1HD LYS 75 2HD LYS 75 -11.549 19.604 10.038 534 2HD LYS 75 3HD LYS 75 -10.011 18.772 10.151 535 1HE LYS 75 2HE LYS 75 -9.048 21.248 10.482 536 2HE LYS 75 3HE LYS 75 -10.697 21.604 10.959 537 1HZ LYS 75 1HZ LYS 75 -10.225 19.373 12.312 538 2HZ LYS 75 2HZ LYS 75 -8.727 20.021 12.304 539 3HZ LYS 75 3HZ LYS 75 -9.980 20.869 12.918 540 H ASP 76 HN ASP 76 -6.486 17.817 6.373 541 HA ASP 76 HA ASP 76 -5.798 17.650 4.324 542 1HB ASP 76 2HB ASP 76 -8.296 16.713 3.059 543 2HB ASP 76 3HB ASP 76 -6.738 15.918 3.159 544 H GLU 77 HN GLU 77 -5.637 19.903 3.761 545 HA GLU 77 HA GLU 77 -7.981 20.959 2.381 546 1HB GLU 77 2HB GLU 77 -7.415 22.236 4.415 547 2HB GLU 77 3HB GLU 77 -5.766 22.444 3.861 548 1HG GLU 77 2HG GLU 77 -6.338 24.219 2.564 549 2HG GLU 77 3HG GLU 77 -7.625 23.318 1.787 550 H GLU 78 HN GLU 78 -4.704 19.885 2.119 551 HA GLU 78 HA GLU 78 -4.719 20.683 -0.639 552 1HB GLU 78 2HB GLU 78 -2.723 21.716 1.382 553 2HB GLU 78 3HB GLU 78 -2.194 21.420 -0.262 554 1HG GLU 78 2HG GLU 78 -4.454 22.794 -0.834 555 2HG GLU 78 3HG GLU 78 -4.167 23.450 0.766 556 H ARG 79 HN ARG 79 -2.192 19.881 -1.429 557 HA ARG 79 HA ARG 79 -0.863 18.194 -1.735 558 1HB ARG 79 2HB ARG 79 -1.363 17.978 1.036 559 2HB ARG 79 3HB ARG 79 -1.680 16.363 0.433 560 1HG ARG 79 2HG ARG 79 0.524 16.060 -0.335 561 2HG ARG 79 3HG ARG 79 0.812 17.778 -0.523 562 1HD ARG 79 2HD ARG 79 0.936 18.086 1.914 563 2HD ARG 79 3HD ARG 79 0.451 16.426 2.193 564 HE ARG 79 HE ARG 79 3.109 17.358 1.344 565 1HH1 ARG 79 2HH2 ARG 79 0.931 14.606 1.601 566 2HH1 ARG 79 1HH2 ARG 79 2.202 13.431 1.549 567 1HH2 ARG 79 2HH1 ARG 79 4.788 15.808 1.276 568 2HH2 ARG 79 1HH1 ARG 79 4.411 14.120 1.363 569 H HIS 80 HN HIS 80 -3.559 16.439 -0.034 570 HA HIS 80 HA HIS 80 -5.033 14.968 -0.727 571 1HB HIS 80 2HB HIS 80 -5.532 16.825 -2.398 572 2HB HIS 80 3HB HIS 80 -4.595 15.914 -3.566 573 HD1 HIS 80 HD1 HIS 80 -7.909 16.523 -3.133 574 HD2 HIS 80 HD2 HIS 80 -5.782 12.908 -3.107 575 HE1 HIS 80 HE1 HIS 80 -9.604 14.693 -3.671 576 H VAL 81 HN VAL 81 -2.681 15.056 -3.504 577 HA VAL 81 HA VAL 81 -2.627 12.304 -3.836 578 HB VAL 81 HB VAL 81 -0.898 14.614 -4.605 579 1HG1 VAL 81 1HG1 VAL 81 0.282 12.595 -6.007 580 2HG1 VAL 81 2HG1 VAL 81 0.944 13.308 -4.517 581 3HG1 VAL 81 3HG1 VAL 81 0.002 11.800 -4.438 582 1HG2 VAL 81 1HG2 VAL 81 -1.782 14.316 -6.692 583 2HG2 VAL 81 2HG2 VAL 81 -1.899 12.549 -6.516 584 3HG2 VAL 81 3HG2 VAL 81 -3.102 13.602 -5.734 585 H GLY 82 HN GLY 82 0.116 14.280 -2.504 586 1HA GLY 82 1HA GLY 82 1.451 12.139 -1.339 587 2HA GLY 82 2HA GLY 82 1.617 13.826 -0.896 588 H ASP 83 HN ASP 83 -0.702 14.613 0.249 589 HA ASP 83 HA ASP 83 -0.583 13.614 2.753 590 1HB ASP 83 2HB ASP 83 -1.720 15.701 2.302 591 2HB ASP 83 3HB ASP 83 -2.862 14.928 1.221 592 H LEU 84 HN LEU 84 -1.625 11.891 3.875 593 HA LEU 84 HA LEU 84 -3.874 10.551 2.781 594 1HB LEU 84 2HB LEU 84 -1.881 9.754 1.381 595 2HB LEU 84 3HB LEU 84 -1.349 8.914 2.824 596 HG LEU 84 HG LEU 84 -3.567 7.719 2.863 597 1HD1 LEU 84 1HD1 LEU 84 -4.851 9.325 1.531 598 2HD1 LEU 84 2HD1 LEU 84 -3.873 8.923 0.098 599 3HD1 LEU 84 3HD1 LEU 84 -4.923 7.688 0.834 600 1HD2 LEU 84 1HD2 LEU 84 -1.977 6.289 2.111 601 2HD2 LEU 84 2HD2 LEU 84 -2.921 6.427 0.609 602 3HD2 LEU 84 3HD2 LEU 84 -1.435 7.385 0.817 603 H GLY 85 HN GLY 85 -3.572 11.904 5.146 604 1HA GLY 85 1HA GLY 85 -3.488 11.709 7.407 605 2HA GLY 85 2HA GLY 85 -4.500 10.315 7.084 606 H ASN 86 HN ASN 86 -3.585 9.310 9.034 607 HA ASN 86 HA ASN 86 -0.947 8.213 8.457 608 1HB ASN 86 2HB ASN 86 -2.106 9.291 11.054 609 2HB ASN 86 3HB ASN 86 -0.879 8.042 11.116 610 1HD2 ASN 86 1HD2 ASN 86 0.754 9.210 11.942 611 2HD2 ASN 86 2HD2 ASN 86 1.539 10.535 11.148 612 H VAL 87 HN VAL 87 -0.687 6.142 10.112 613 HA VAL 87 HA VAL 87 -3.263 4.743 10.197 614 HB VAL 87 HB VAL 87 -2.186 2.732 9.377 615 1HG1 VAL 87 1HG1 VAL 87 -3.212 3.834 7.614 616 2HG1 VAL 87 2HG1 VAL 87 -2.095 5.218 7.687 617 3HG1 VAL 87 3HG1 VAL 87 -1.545 3.665 7.014 618 1HG2 VAL 87 1HG2 VAL 87 0.289 4.471 9.221 619 2HG2 VAL 87 2HG2 VAL 87 0.067 2.941 10.102 620 3HG2 VAL 87 3HG2 VAL 87 0.119 2.944 8.323 621 H THR 88 HN THR 88 -2.212 2.319 11.277 622 HA THR 88 HA THR 88 -0.641 3.052 13.594 623 HB THR 88 HB THR 88 -3.587 2.230 13.752 624 HG1 THR 88 1HG THR 88 -3.541 4.452 13.844 625 1HG2 THR 88 1HG2 THR 88 -1.859 1.196 15.503 626 2HG2 THR 88 2HG2 THR 88 -1.818 2.860 16.133 627 3HG2 THR 88 3HG2 THR 88 -3.354 1.963 16.089 628 H ALA 89 HN ALA 89 0.511 1.354 14.420 629 HA ALA 89 HA ALA 89 0.407 -1.051 12.822 630 1HB ALA 89 1HB ALA 89 2.295 0.291 14.701 631 2HB ALA 89 2HB ALA 89 2.364 -1.486 14.647 632 3HB ALA 89 3HB ALA 89 2.612 -0.540 13.160 633 H ASP 90 HN ASP 90 0.834 -3.183 14.244 634 HA ASP 90 HA ASP 90 -1.521 -3.362 15.858 635 1HB ASP 90 2HB ASP 90 -1.141 -5.197 14.353 636 2HB ASP 90 3HB ASP 90 0.541 -5.342 14.823 637 H LYS 91 HN LYS 91 1.293 -5.408 16.565 638 HA LYS 91 HA LYS 91 1.903 -3.846 18.957 639 1HB LYS 91 2HB LYS 91 1.457 -5.517 20.457 640 2HB LYS 91 3HB LYS 91 0.175 -5.798 19.296 641 1HG LYS 91 2HG LYS 91 1.552 -7.543 18.171 642 2HG LYS 91 3HG LYS 91 2.868 -7.242 19.289 643 1HD LYS 91 2HD LYS 91 0.945 -7.709 21.120 644 2HD LYS 91 3HD LYS 91 0.217 -8.589 19.792 645 1HE LYS 91 2HE LYS 91 2.203 -10.001 19.544 646 2HE LYS 91 3HE LYS 91 3.104 -9.024 20.685 647 1HZ LYS 91 1HZ LYS 91 2.287 -10.266 22.286 648 2HZ LYS 91 2HZ LYS 91 0.757 -9.828 21.917 649 3HZ LYS 91 3HZ LYS 91 1.416 -11.153 21.226 650 H ASP 92 HN ASP 92 2.984 -4.829 16.108 651 HA ASP 92 HA ASP 92 5.639 -5.212 17.167 652 1HB ASP 92 2HB ASP 92 4.087 -7.192 15.550 653 2HB ASP 92 3HB ASP 92 5.727 -6.909 14.999 654 H GLY 93 HN GLY 93 3.793 -3.197 15.644 655 1HA GLY 93 1HA GLY 93 4.451 -1.490 14.239 656 2HA GLY 93 2HA GLY 93 5.762 -2.475 13.620 657 H VAL 94 HN VAL 94 3.808 -4.850 13.313 658 HA VAL 94 HA VAL 94 3.317 -4.642 10.644 659 HB VAL 94 HB VAL 94 1.597 -6.153 12.614 660 1HG1 VAL 94 1HG1 VAL 94 1.285 -5.995 9.940 661 2HG1 VAL 94 2HG1 VAL 94 2.470 -7.322 10.020 662 3HG1 VAL 94 3HG1 VAL 94 0.918 -7.461 10.881 663 1HG2 VAL 94 1HG2 VAL 94 3.453 -7.974 11.964 664 2HG2 VAL 94 2HG2 VAL 94 4.459 -6.510 11.854 665 3HG2 VAL 94 3HG2 VAL 94 3.616 -6.898 13.372 666 H ALA 95 HN ALA 95 2.226 -3.078 9.569 667 HA ALA 95 HA ALA 95 -0.322 -2.210 10.757 668 1HB ALA 95 1HB ALA 95 0.214 -0.094 9.318 669 2HB ALA 95 2HB ALA 95 1.062 -0.318 10.867 670 3HB ALA 95 3HB ALA 95 1.885 -0.709 9.337 671 H ASP 96 HN ASP 96 -2.084 -2.808 9.605 672 HA ASP 96 HA ASP 96 -1.600 -3.484 6.813 673 1HB ASP 96 2HB ASP 96 -3.346 -5.094 6.967 674 2HB ASP 96 3HB ASP 96 -2.455 -5.270 8.466 675 H VAL 97 HN VAL 97 -3.344 -2.836 5.261 676 HA VAL 97 HA VAL 97 -5.179 -0.815 6.317 677 HB VAL 97 HB VAL 97 -3.243 -0.526 4.019 678 1HG1 VAL 97 1HG1 VAL 97 -5.590 1.274 4.714 679 2HG1 VAL 97 2HG1 VAL 97 -4.349 1.598 3.480 680 3HG1 VAL 97 3HG1 VAL 97 -5.464 0.225 3.282 681 1HG2 VAL 97 1HG2 VAL 97 -2.574 1.527 5.220 682 2HG2 VAL 97 2HG2 VAL 97 -3.730 1.136 6.515 683 3HG2 VAL 97 3HG2 VAL 97 -2.341 0.066 6.209 684 H SER 98 HN SER 98 -7.017 -0.390 4.793 685 HA SER 98 HA SER 98 -7.372 -2.180 2.644 686 1HB SER 98 2HB SER 98 -9.247 -3.479 3.539 687 2HB SER 98 3HB SER 98 -7.824 -3.740 4.528 688 HG SER 98 HG SER 98 -8.683 -2.543 6.186 689 H ILE 99 HN ILE 99 -8.028 -0.455 1.351 690 HA ILE 99 HA ILE 99 -10.435 0.951 2.273 691 HB ILE 99 HB ILE 99 -8.128 2.155 0.741 692 1HG1 ILE 99 2HG1 ILE 99 -8.804 3.178 3.430 693 2HG1 ILE 99 3HG1 ILE 99 -8.122 1.564 3.412 694 1HG2 ILE 99 1HG2 ILE 99 -10.208 3.173 0.092 695 2HG2 ILE 99 2HG2 ILE 99 -10.705 3.351 1.792 696 3HG2 ILE 99 3HG2 ILE 99 -9.330 4.290 1.163 697 1HD1 ILE 99 1HD1 ILE 99 -6.248 3.050 3.546 698 2HD1 ILE 99 2HD1 ILE 99 -6.287 2.496 1.855 699 3HD1 ILE 99 3HD1 ILE 99 -6.904 4.112 2.277 700 H GLU 100 HN GLU 100 -12.002 1.415 0.656 701 HA GLU 100 HA GLU 100 -11.421 0.185 -1.917 702 1HB GLU 100 2HB GLU 100 -13.774 -0.716 -1.935 703 2HB GLU 100 3HB GLU 100 -12.743 -1.458 -0.728 704 1HG GLU 100 2HG GLU 100 -13.695 0.437 0.867 705 2HG GLU 100 3HG GLU 100 -14.971 0.558 -0.328 706 H ASP 101 HN ASP 101 -11.126 2.228 -2.916 707 HA ASP 101 HA ASP 101 -13.475 3.947 -2.801 708 1HB ASP 101 2HB ASP 101 -10.693 4.500 -2.503 709 2HB ASP 101 3HB ASP 101 -11.133 5.151 -4.069 710 H SER 102 HN SER 102 -13.889 5.149 -4.973 711 HA SER 102 HA SER 102 -12.938 3.571 -7.222 712 1HB SER 102 2HB SER 102 -15.281 3.779 -8.211 713 2HB SER 102 3HB SER 102 -15.129 2.677 -6.857 714 HG SER 102 HG SER 102 -16.148 5.387 -6.787 715 H VAL 103 HN VAL 103 -12.080 6.173 -6.120 716 HA VAL 103 HA VAL 103 -13.111 7.999 -8.172 717 HB VAL 103 HB VAL 103 -11.835 9.662 -6.615 718 1HG1 VAL 103 1HG1 VAL 103 -13.957 9.624 -5.067 719 2HG1 VAL 103 2HG1 VAL 103 -14.114 10.019 -6.795 720 3HG1 VAL 103 3HG1 VAL 103 -14.527 8.388 -6.214 721 1HG2 VAL 103 1HG2 VAL 103 -12.422 7.434 -4.639 722 2HG2 VAL 103 2HG2 VAL 103 -10.799 7.848 -5.241 723 3HG2 VAL 103 3HG2 VAL 103 -11.724 9.033 -4.288 724 H ILE 104 HN ILE 104 -10.150 6.605 -6.664 725 HA ILE 104 HA ILE 104 -8.389 7.999 -8.393 726 HB ILE 104 HB ILE 104 -6.690 6.833 -7.340 727 1HG1 ILE 104 2HG1 ILE 104 -7.254 4.569 -7.824 728 2HG1 ILE 104 3HG1 ILE 104 -7.043 4.697 -6.089 729 1HG2 ILE 104 1HG2 ILE 104 -8.752 6.650 -5.160 730 2HG2 ILE 104 2HG2 ILE 104 -7.061 7.200 -5.082 731 3HG2 ILE 104 3HG2 ILE 104 -8.295 8.225 -5.851 732 1HD1 ILE 104 1HD1 ILE 104 -9.709 4.695 -7.576 733 2HD1 ILE 104 2HD1 ILE 104 -9.055 3.378 -6.572 734 3HD1 ILE 104 3HD1 ILE 104 -9.532 4.919 -5.819 735 H SER 105 HN SER 105 -6.715 6.442 -9.684 736 HA SER 105 HA SER 105 -8.156 4.368 -11.044 737 1HB SER 105 2HB SER 105 -7.466 7.014 -12.303 738 2HB SER 105 3HB SER 105 -7.281 5.574 -13.285 739 HG SER 105 HG SER 105 -9.380 5.917 -13.656 740 H LEU 106 HN LEU 106 -6.713 2.905 -12.179 741 HA LEU 106 HA LEU 106 -4.152 2.750 -11.056 742 1HB LEU 106 2HB LEU 106 -5.721 1.289 -13.112 743 2HB LEU 106 3HB LEU 106 -3.982 1.074 -13.136 744 HG LEU 106 HG LEU 106 -5.741 0.588 -10.716 745 1HD1 LEU 106 1HD1 LEU 106 -5.680 -0.951 -12.987 746 2HD1 LEU 106 2HD1 LEU 106 -4.443 -1.727 -11.969 747 3HD1 LEU 106 3HD1 LEU 106 -6.102 -1.524 -11.356 748 1HD2 LEU 106 1HD2 LEU 106 -3.892 0.377 -9.508 749 2HD2 LEU 106 2HD2 LEU 106 -3.188 -0.755 -10.689 750 3HD2 LEU 106 3HD2 LEU 106 -2.965 1.000 -10.895 751 H SER 107 HN SER 107 -5.255 3.621 -14.405 752 HA SER 107 HA SER 107 -2.929 5.320 -14.567 753 1HB SER 107 2HB SER 107 -2.422 2.986 -15.566 754 2HB SER 107 3HB SER 107 -3.567 3.390 -16.830 755 HG SER 107 HG SER 107 -2.251 5.311 -17.290 756 H GLY 108 HN GLY 108 -4.957 6.740 -14.205 757 1HA GLY 108 1HA GLY 108 -6.022 7.486 -16.843 758 2HA GLY 108 2HA GLY 108 -7.135 7.170 -15.527 759 H ASP 109 HN ASP 109 -7.932 9.282 -15.259 760 HA ASP 109 HA ASP 109 -6.442 11.556 -15.351 761 1HB ASP 109 2HB ASP 109 -8.942 10.826 -13.775 762 2HB ASP 109 3HB ASP 109 -8.290 12.452 -13.739 763 H HIS 110 HN HIS 110 -6.916 9.144 -12.761 764 HA HIS 110 HA HIS 110 -5.535 10.841 -10.851 765 1HB HIS 110 2HB HIS 110 -7.283 8.435 -10.706 766 2HB HIS 110 3HB HIS 110 -6.044 8.580 -9.476 767 HD1 HIS 110 HD1 HIS 110 -8.762 10.841 -10.986 768 HD2 HIS 110 HD2 HIS 110 -6.879 10.032 -7.326 769 HE1 HIS 110 HE1 HIS 110 -9.929 12.296 -9.245 770 H SER 111 HN SER 111 -5.310 7.484 -12.232 771 HA SER 111 HA SER 111 -3.627 6.133 -12.480 772 1HB SER 111 2HB SER 111 -2.763 7.500 -14.186 773 2HB SER 111 3HB SER 111 -2.368 8.807 -13.088 774 HG SER 111 HG SER 111 -0.427 7.785 -13.702 775 H ILE 112 HN ILE 112 -3.299 5.067 -10.523 776 HA ILE 112 HA ILE 112 -1.846 6.459 -8.432 777 HB ILE 112 HB ILE 112 -2.556 4.742 -6.994 778 1HG1 ILE 112 2HG1 ILE 112 -4.014 2.846 -8.328 779 2HG1 ILE 112 3HG1 ILE 112 -2.714 3.134 -9.468 780 1HG2 ILE 112 1HG2 ILE 112 -4.436 6.105 -8.708 781 2HG2 ILE 112 2HG2 ILE 112 -5.104 4.548 -8.163 782 3HG2 ILE 112 3HG2 ILE 112 -4.537 5.740 -6.968 783 1HD1 ILE 112 1HD1 ILE 112 -2.360 1.347 -7.585 784 2HD1 ILE 112 2HD1 ILE 112 -1.035 2.483 -7.934 785 3HD1 ILE 112 3HD1 ILE 112 -2.089 2.751 -6.525 786 H ILE 113 HN ILE 113 -1.388 4.090 -10.995 787 HA ILE 113 HA ILE 113 0.719 2.631 -10.042 788 HB ILE 113 HB ILE 113 0.138 3.655 -12.820 789 1HG1 ILE 113 2HG1 ILE 113 -1.581 2.216 -11.659 790 2HG1 ILE 113 3HG1 ILE 113 -0.984 1.610 -13.192 791 1HG2 ILE 113 1HG2 ILE 113 2.034 2.782 -13.562 792 2HG2 ILE 113 2HG2 ILE 113 2.522 2.443 -11.884 793 3HG2 ILE 113 3HG2 ILE 113 1.636 1.214 -12.819 794 1HD1 ILE 113 1HD1 ILE 113 -0.308 -0.301 -12.191 795 2HD1 ILE 113 2HD1 ILE 113 0.762 0.628 -11.115 796 3HD1 ILE 113 3HD1 ILE 113 -0.923 0.311 -10.637 797 H GLY 114 HN GLY 114 2.718 3.113 -9.314 798 1HA GLY 114 1HA GLY 114 4.821 4.157 -9.712 799 2HA GLY 114 2HA GLY 114 3.993 5.569 -10.339 800 H ARG 115 HN ARG 115 2.272 4.306 -7.658 801 HA ARG 115 HA ARG 115 3.371 6.432 -6.039 802 1HB ARG 115 2HB ARG 115 0.749 4.962 -6.169 803 2HB ARG 115 3HB ARG 115 1.237 5.544 -4.590 804 1HG ARG 115 2HG ARG 115 1.762 7.790 -6.020 805 2HG ARG 115 3HG ARG 115 0.526 7.109 -7.058 806 1HD ARG 115 2HD ARG 115 -0.852 6.795 -4.830 807 2HD ARG 115 3HD ARG 115 0.285 7.940 -4.145 808 HE ARG 115 HE ARG 115 -0.660 9.009 -6.621 809 1HH1 ARG 115 2HH2 ARG 115 -1.844 8.284 -3.387 810 2HH1 ARG 115 1HH2 ARG 115 -3.059 9.517 -3.417 811 1HH2 ARG 115 2HH1 ARG 115 -2.264 10.636 -6.661 812 2HH2 ARG 115 1HH1 ARG 115 -3.300 10.864 -5.292 813 H THR 116 HN THR 116 3.993 6.042 -3.783 814 HA THR 116 HA THR 116 4.203 3.245 -2.979 815 HB THR 116 HB THR 116 6.300 3.773 -4.240 816 HG1 THR 116 1HG THR 116 6.147 2.531 -2.111 817 1HG2 THR 116 1HG2 THR 116 7.896 5.406 -3.183 818 2HG2 THR 116 2HG2 THR 116 6.459 6.223 -3.843 819 3HG2 THR 116 3HG2 THR 116 6.595 5.939 -2.091 820 H LEU 117 HN LEU 117 3.897 2.924 -0.832 821 HA LEU 117 HA LEU 117 3.284 5.323 0.687 822 1HB LEU 117 2HB LEU 117 2.776 2.386 1.158 823 2HB LEU 117 3HB LEU 117 2.399 3.633 2.330 824 HG LEU 117 HG LEU 117 0.549 2.728 0.737 825 1HD1 LEU 117 1HD1 LEU 117 0.111 5.535 0.548 826 2HD1 LEU 117 2HD1 LEU 117 -0.556 4.376 1.722 827 3HD1 LEU 117 3HD1 LEU 117 0.976 5.212 2.069 828 1HD2 LEU 117 1HD2 LEU 117 0.290 3.895 -1.362 829 2HD2 LEU 117 2HD2 LEU 117 1.786 4.817 -1.077 830 3HD2 LEU 117 3HD2 LEU 117 1.861 3.057 -1.337 831 H VAL 118 HN VAL 118 5.579 6.014 0.759 832 HA VAL 118 HA VAL 118 7.457 4.362 2.108 833 HB VAL 118 HB VAL 118 7.637 7.346 1.784 834 1HG1 VAL 118 1HG1 VAL 118 9.746 7.010 2.421 835 2HG1 VAL 118 2HG1 VAL 118 9.417 5.271 2.603 836 3HG1 VAL 118 3HG1 VAL 118 9.998 5.908 1.046 837 1HG2 VAL 118 1HG2 VAL 118 7.606 5.248 -0.355 838 2HG2 VAL 118 2HG2 VAL 118 6.997 6.920 -0.383 839 3HG2 VAL 118 3HG2 VAL 118 8.745 6.607 -0.507 840 H VAL 119 HN VAL 119 6.873 3.726 4.161 841 HA VAL 119 HA VAL 119 5.336 4.993 5.961 842 HB VAL 119 HB VAL 119 6.507 3.740 7.667 843 1HG1 VAL 119 1HG1 VAL 119 5.098 2.651 5.733 844 2HG1 VAL 119 2HG1 VAL 119 6.662 1.940 5.265 845 3HG1 VAL 119 3HG1 VAL 119 5.989 1.625 6.883 846 1HG2 VAL 119 1HG2 VAL 119 8.625 2.975 5.649 847 2HG2 VAL 119 2HG2 VAL 119 8.823 4.363 6.747 848 3HG2 VAL 119 3HG2 VAL 119 8.617 2.724 7.412 849 H HIS 120 HN HIS 120 5.608 6.506 7.678 850 HA HIS 120 HA HIS 120 7.586 8.500 7.048 851 1HB HIS 120 2HB HIS 120 4.972 8.516 8.052 852 2HB HIS 120 3HB HIS 120 5.962 9.003 9.413 853 HD1 HIS 120 HD1 HIS 120 8.049 10.817 8.245 854 HD2 HIS 120 HD2 HIS 120 4.083 10.804 6.878 855 HE1 HIS 120 HE1 HIS 120 7.668 13.082 7.135 856 H GLU 121 HN GLU 121 9.600 8.445 7.896 857 HA GLU 121 HA GLU 121 10.590 6.661 9.566 858 1HB GLU 121 2HB GLU 121 11.830 8.516 8.367 859 2HB GLU 121 3HB GLU 121 11.367 9.608 9.657 860 1HG GLU 121 2HG GLU 121 12.634 7.035 10.523 861 2HG GLU 121 3HG GLU 121 13.682 8.149 9.668 862 H LYS 122 HN LYS 122 8.476 9.351 10.450 863 HA LYS 122 HA LYS 122 8.253 8.251 13.106 864 1HB LYS 122 2HB LYS 122 10.129 10.212 12.816 865 2HB LYS 122 3HB LYS 122 8.708 11.175 13.166 866 1HG LYS 122 2HG LYS 122 8.267 9.559 15.139 867 2HG LYS 122 3HG LYS 122 9.874 8.922 14.855 868 1HD LYS 122 2HD LYS 122 9.750 11.894 14.992 869 2HD LYS 122 3HD LYS 122 9.297 11.089 16.481 870 1HE LYS 122 2HE LYS 122 11.416 9.911 16.602 871 2HE LYS 122 3HE LYS 122 11.840 10.363 14.963 872 1HZ LYS 122 1HZ LYS 122 11.291 12.508 16.825 873 2HZ LYS 122 2HZ LYS 122 12.694 11.694 17.016 874 3HZ LYS 122 3HZ LYS 122 12.371 12.444 15.602 875 H ALA 123 HN ALA 123 6.324 9.079 14.229 876 HA ALA 123 HA ALA 123 4.121 9.198 12.614 877 1HB ALA 123 1HB ALA 123 4.232 8.720 15.086 878 2HB ALA 123 2HB ALA 123 4.411 10.469 15.364 879 3HB ALA 123 3HB ALA 123 2.924 9.833 14.620 880 H ASP 124 HN ASP 124 2.475 11.223 12.827 881 HA ASP 124 HA ASP 124 3.993 13.631 12.266 882 1HB ASP 124 2HB ASP 124 3.460 12.641 10.077 883 2HB ASP 124 3HB ASP 124 1.783 12.426 10.539 884 H ASP 125 HN ASP 125 2.707 13.055 14.699 885 HA ASP 125 HA ASP 125 1.135 13.633 16.088 886 1HB ASP 125 2HB ASP 125 1.435 16.006 14.269 887 2HB ASP 125 3HB ASP 125 0.068 16.034 15.366 888 H LEU 126 HN LEU 126 0.304 12.072 13.639 889 HA LEU 126 HA LEU 126 -1.503 11.380 12.572 890 1HB LEU 126 2HB LEU 126 -2.662 12.388 15.151 891 2HB LEU 126 3HB LEU 126 -3.702 11.720 13.908 892 HG LEU 126 HG LEU 126 -1.332 10.191 14.991 893 1HD1 LEU 126 1HD1 LEU 126 -2.357 10.153 16.978 894 2HD1 LEU 126 2HD1 LEU 126 -3.881 10.792 16.316 895 3HD1 LEU 126 3HD1 LEU 126 -3.519 9.053 16.199 896 1HD2 LEU 126 1HD2 LEU 126 -3.658 9.587 13.222 897 2HD2 LEU 126 2HD2 LEU 126 -1.964 9.049 13.122 898 3HD2 LEU 126 3HD2 LEU 126 -3.067 8.305 14.305 899 H GLY 127 HN GLY 127 -0.484 14.278 12.276 900 1HA GLY 127 1HA GLY 127 -2.365 15.072 10.319 901 2HA GLY 127 2HA GLY 127 -2.596 16.018 11.776 902 H LYS 128 HN LYS 128 -1.299 17.789 12.116 903 HA LYS 128 HA LYS 128 1.178 17.902 10.542 904 1HB LYS 128 2HB LYS 128 -0.702 20.217 11.087 905 2HB LYS 128 3HB LYS 128 0.782 20.270 10.158 906 1HG LYS 128 2HG LYS 128 -0.166 18.660 8.513 907 2HG LYS 128 3HG LYS 128 -1.637 18.538 9.457 908 1HD LYS 128 2HD LYS 128 -0.638 21.219 8.415 909 2HD LYS 128 3HD LYS 128 -1.634 20.169 7.427 910 1HE LYS 128 2HE LYS 128 -3.413 20.184 9.175 911 2HE LYS 128 3HE LYS 128 -2.413 21.195 10.200 912 1HZ LYS 128 1HZ LYS 128 -2.394 22.690 8.107 913 2HZ LYS 128 2HZ LYS 128 -3.765 21.888 7.727 914 3HZ LYS 128 3HZ LYS 128 -3.670 22.726 9.126 915 H GLY 129 HN GLY 129 -0.361 20.022 13.044 916 1HA GLY 129 1HA GLY 129 0.258 20.308 15.233 917 2HA GLY 129 2HA GLY 129 1.592 19.192 15.024 918 H GLY 130 HN GLY 130 2.765 20.408 12.639 919 1HA GLY 130 1HA GLY 130 3.905 22.818 13.903 920 2HA GLY 130 2HA GLY 130 4.715 21.763 12.762 921 H ASN 131 HN ASN 131 5.199 23.627 11.404 922 HA ASN 131 HA ASN 131 2.984 24.180 9.652 923 1HB ASN 131 2HB ASN 131 3.482 26.650 9.669 924 2HB ASN 131 3HB ASN 131 2.888 26.085 11.218 925 1HD2 ASN 131 1HD2 ASN 131 4.272 25.875 12.971 926 2HD2 ASN 131 2HD2 ASN 131 5.820 26.648 13.049 927 H GLU 132 HN GLU 132 3.752 24.674 7.484 928 HA GLU 132 HA GLU 132 5.122 24.475 5.805 929 1HB GLU 132 2HB GLU 132 6.092 26.580 7.436 930 2HB GLU 132 3HB GLU 132 7.523 25.703 6.932 931 1HG GLU 132 2HG GLU 132 5.997 25.819 4.582 932 2HG GLU 132 3HG GLU 132 5.686 27.373 5.329 933 H GLN 133 HN GLN 133 5.155 22.312 7.858 934 HA GLN 133 HA GLN 133 7.524 21.037 6.888 935 1HB GLN 133 2HB GLN 133 7.615 22.271 9.430 936 2HB GLN 133 3HB GLN 133 7.375 20.569 9.774 937 1HG GLN 133 2HG GLN 133 9.616 20.331 9.463 938 2HG GLN 133 3HG GLN 133 9.288 20.489 7.749 939 1HE2 GLN 133 1HE2 GLN 133 10.312 22.005 6.696 940 2HE2 GLN 133 2HE2 GLN 133 11.024 23.442 7.351 941 H SER 134 HN SER 134 5.433 20.400 9.782 942 HA SER 134 HA SER 134 4.998 17.768 9.042 943 1HB SER 134 2HB SER 134 3.330 19.543 10.880 944 2HB SER 134 3HB SER 134 3.265 17.792 10.836 945 HG SER 134 HG SER 134 4.819 19.187 12.393 946 H THR 135 HN THR 135 3.527 20.776 8.020 947 HA THR 135 HA THR 135 0.993 19.737 7.276 948 HB THR 135 HB THR 135 0.722 21.935 6.291 949 HG1 THR 135 1HG THR 135 2.614 22.081 5.019 950 1HG2 THR 135 1HG2 THR 135 1.444 21.785 8.891 951 2HG2 THR 135 2HG2 THR 135 2.879 22.642 8.280 952 3HG2 THR 135 3HG2 THR 135 1.262 23.356 8.074 953 H LYS 136 HN LYS 136 4.188 19.906 5.701 954 HA LYS 136 HA LYS 136 2.984 18.848 3.262 955 1HB LYS 136 2HB LYS 136 5.326 19.229 2.359 956 2HB LYS 136 3HB LYS 136 4.408 20.658 2.789 957 1HG LYS 136 2HG LYS 136 5.628 20.957 4.848 958 2HG LYS 136 3HG LYS 136 6.312 19.345 4.768 959 1HD LYS 136 2HD LYS 136 7.351 20.186 2.476 960 2HD LYS 136 3HD LYS 136 7.028 21.784 3.117 961 1HE LYS 136 2HE LYS 136 8.536 21.522 4.919 962 2HE LYS 136 3HE LYS 136 8.451 19.772 4.874 963 1HZ LYS 136 1HZ LYS 136 10.041 19.695 3.349 964 2HZ LYS 136 2HZ LYS 136 9.438 20.926 2.461 965 3HZ LYS 136 3HZ LYS 136 10.381 21.239 3.756 966 H THR 137 HN THR 137 4.791 17.943 6.130 967 HA THR 137 HA THR 137 4.889 15.202 5.099 968 HB THR 137 HB THR 137 7.209 14.987 5.975 969 HG1 THR 137 1HG THR 137 6.731 17.847 6.447 970 1HG2 THR 137 1HG2 THR 137 8.411 16.519 4.444 971 2HG2 THR 137 2HG2 THR 137 6.984 15.855 3.613 972 3HG2 THR 137 3HG2 THR 137 6.946 17.513 4.259 973 H GLY 138 HN GLY 138 6.486 16.078 8.090 974 1HA GLY 138 1HA GLY 138 4.355 16.068 9.870 975 2HA GLY 138 2HA GLY 138 4.781 14.390 9.597 976 H ASN 139 HN ASN 139 7.045 17.191 9.475 977 HA ASN 139 HA ASN 139 9.010 17.398 10.436 978 1HB ASN 139 2HB ASN 139 7.341 18.460 12.050 979 2HB ASN 139 3HB ASN 139 7.360 16.977 12.984 980 1HD2 ASN 139 1HD2 ASN 139 8.049 18.453 14.683 981 2HD2 ASN 139 2HD2 ASN 139 9.731 18.819 14.877 982 H ALA 140 HN ALA 140 8.381 14.590 9.743 983 HA ALA 140 HA ALA 140 9.774 13.197 11.927 984 1HB ALA 140 1HB ALA 140 7.437 12.447 11.542 985 2HB ALA 140 2HB ALA 140 7.845 12.090 9.846 986 3HB ALA 140 3HB ALA 140 8.619 11.172 11.160 987 H GLY 141 HN GLY 141 9.178 12.938 8.343 988 1HA GLY 141 1HA GLY 141 11.088 13.318 6.883 989 2HA GLY 141 2HA GLY 141 12.081 12.451 8.037 990 H SER 142 HN SER 142 9.058 12.015 6.065 991 HA SER 142 HA SER 142 9.023 9.274 6.212 992 1HB SER 142 2HB SER 142 7.611 9.408 4.138 993 2HB SER 142 3HB SER 142 7.108 10.522 5.394 994 HG SER 142 HG SER 142 7.520 12.179 4.103 995 H ARG 143 HN ARG 143 10.870 8.073 5.779 996 HA ARG 143 HA ARG 143 11.670 7.920 3.087 997 1HB ARG 143 2HB ARG 143 13.504 9.257 5.112 998 2HB ARG 143 3HB ARG 143 14.188 8.363 3.769 999 1HG ARG 143 2HG ARG 143 12.491 9.819 2.316 1000 2HG ARG 143 3HG ARG 143 12.513 10.882 3.709 1001 1HD ARG 143 2HD ARG 143 15.223 10.362 3.359 1002 2HD ARG 143 3HD ARG 143 14.645 10.353 1.705 1003 HE ARG 143 HE ARG 143 14.126 12.652 1.871 1004 1HH1 ARG 143 2HH2 ARG 143 14.946 11.355 5.038 1005 2HH1 ARG 143 1HH2 ARG 143 15.055 12.912 5.789 1006 1HH2 ARG 143 2HH1 ARG 143 14.269 14.706 2.861 1007 2HH2 ARG 143 1HH1 ARG 143 14.667 14.831 4.542 1008 H LEU 144 HN LEU 144 11.219 5.680 3.298 1009 HA LEU 144 HA LEU 144 13.250 4.174 4.675 1010 1HB LEU 144 2HB LEU 144 10.347 4.009 5.489 1011 2HB LEU 144 3HB LEU 144 11.538 2.779 5.863 1012 HG LEU 144 HG LEU 144 12.839 4.881 6.887 1013 1HD1 LEU 144 1HD1 LEU 144 10.599 6.185 6.110 1014 2HD1 LEU 144 2HD1 LEU 144 10.150 5.737 7.773 1015 3HD1 LEU 144 3HD1 LEU 144 11.626 6.686 7.475 1016 1HD2 LEU 144 1HD2 LEU 144 11.838 2.671 7.913 1017 2HD2 LEU 144 2HD2 LEU 144 12.349 4.021 8.954 1018 3HD2 LEU 144 3HD2 LEU 144 10.625 3.790 8.578 1019 H ALA 145 HN ALA 145 10.156 2.656 4.063 1020 HA ALA 145 HA ALA 145 11.332 1.129 1.947 1021 1HB ALA 145 1HB ALA 145 9.941 -0.138 3.322 1022 2HB ALA 145 2HB ALA 145 8.735 1.162 3.478 1023 3HB ALA 145 3HB ALA 145 8.851 0.232 1.964 1024 H CYS 146 HN CYS 146 9.720 0.728 -0.057 1025 HA CYS 146 HA CYS 146 8.459 3.169 -0.904 1026 1HB CYS 146 2HB CYS 146 9.879 2.889 -3.133 1027 2HB CYS 146 3HB CYS 146 10.355 3.952 -1.823 1028 H GLY 147 HN GLY 147 6.816 1.308 -0.498 1029 1HA GLY 147 1HA GLY 147 6.798 -0.953 -2.204 1030 2HA GLY 147 2HA GLY 147 5.464 -0.326 -1.257 1031 H VAL 148 HN VAL 148 7.433 0.737 -4.133 1032 HA VAL 148 HA VAL 148 5.430 2.289 -5.259 1033 HB VAL 148 HB VAL 148 7.919 0.940 -6.223 1034 1HG1 VAL 148 1HG1 VAL 148 5.759 2.117 -7.963 1035 2HG1 VAL 148 2HG1 VAL 148 7.470 2.241 -8.438 1036 3HG1 VAL 148 3HG1 VAL 148 6.726 0.641 -8.201 1037 1HG2 VAL 148 1HG2 VAL 148 8.045 3.048 -4.948 1038 2HG2 VAL 148 2HG2 VAL 148 8.641 3.243 -6.614 1039 3HG2 VAL 148 3HG2 VAL 148 7.025 3.843 -6.171 1040 H ILE 149 HN ILE 149 3.384 1.538 -5.591 1041 HA ILE 149 HA ILE 149 2.734 -1.108 -6.077 1042 HB ILE 149 HB ILE 149 1.253 1.432 -6.764 1043 1HG1 ILE 149 2HG1 ILE 149 0.035 0.321 -4.573 1044 2HG1 ILE 149 3HG1 ILE 149 1.715 -0.068 -4.264 1045 1HG2 ILE 149 1HG2 ILE 149 -0.090 -1.211 -6.312 1046 2HG2 ILE 149 2HG2 ILE 149 -0.660 0.226 -7.194 1047 3HG2 ILE 149 3HG2 ILE 149 0.585 -0.824 -7.913 1048 1HD1 ILE 149 1HD1 ILE 149 1.333 2.696 -5.254 1049 2HD1 ILE 149 2HD1 ILE 149 0.516 2.369 -3.706 1050 3HD1 ILE 149 3HD1 ILE 149 2.270 2.107 -3.860 1051 H GLY 150 HN GLY 150 3.014 -2.419 -7.798 1052 1HA GLY 150 1HA GLY 150 3.076 -1.205 -10.474 1053 2HA GLY 150 2HA GLY 150 4.442 -2.167 -9.945 1054 H ILE 151 HN ILE 151 2.108 -2.495 -12.023 1055 HA ILE 151 HA ILE 151 0.441 -4.542 -11.257 1056 HB ILE 151 HB ILE 151 1.643 -3.796 -13.915 1057 1HG1 ILE 151 2HG1 ILE 151 0.142 -2.158 -12.814 1058 2HG1 ILE 151 3HG1 ILE 151 -0.477 -2.753 -14.342 1059 1HG2 ILE 151 1HG2 ILE 151 -0.330 -5.978 -13.253 1060 2HG2 ILE 151 2HG2 ILE 151 -0.298 -5.185 -14.846 1061 3HG2 ILE 151 3HG2 ILE 151 1.138 -6.057 -14.257 1062 1HD1 ILE 151 1HD1 ILE 151 -1.329 -3.667 -11.558 1063 2HD1 ILE 151 2HD1 ILE 151 -2.302 -2.744 -12.728 1064 3HD1 ILE 151 3HD1 ILE 151 -1.873 -4.438 -13.067 1065 H ALA 152 HN ALA 152 0.524 -6.839 -11.418 1066 HA ALA 152 HA ALA 152 3.082 -8.034 -12.049 1067 1HB ALA 152 1HB ALA 152 2.859 -7.254 -9.505 1068 2HB ALA 152 2HB ALA 152 1.922 -8.762 -9.378 1069 3HB ALA 152 3HB ALA 152 3.611 -8.808 -9.937 1070 H GLN 153 HN GLN 153 2.794 -10.576 -11.621 1071 HA GLN 153 HA GLN 153 0.654 -11.309 -13.247 1072 1HB GLN 153 2HB GLN 153 3.029 -12.492 -12.265 1073 2HB GLN 153 3HB GLN 153 1.743 -13.530 -11.684 1074 1HG GLN 153 2HG GLN 153 0.864 -13.835 -13.944 1075 2HG GLN 153 3HG GLN 153 1.938 -12.608 -14.586 1076 1HE2 GLN 153 1HE2 GLN 153 1.554 -15.874 -13.617 1077 2HE2 GLN 153 2HE2 GLN 153 3.127 -16.471 -14.026 Start of MODEL 3 1 1H ALA 1 HN ALA 1 -10.209 -4.143 -11.709 2 HA ALA 1 HA ALA 1 -9.214 -3.410 -14.314 3 1HB ALA 1 1HB ALA 1 -8.567 -2.479 -11.488 4 2HB ALA 1 2HB ALA 1 -7.904 -1.755 -12.972 5 3HB ALA 1 3HB ALA 1 -9.653 -1.681 -12.651 6 H THR 2 HN THR 2 -7.014 -3.542 -11.550 7 HA THR 2 HA THR 2 -5.778 -5.995 -12.468 8 HB THR 2 HB THR 2 -4.417 -3.256 -12.667 9 HG1 THR 2 1HG THR 2 -4.930 -5.425 -14.571 10 1HG2 THR 2 1HG2 THR 2 -2.642 -4.800 -13.836 11 2HG2 THR 2 2HG2 THR 2 -2.643 -4.743 -12.057 12 3HG2 THR 2 3HG2 THR 2 -3.394 -6.117 -12.903 13 H LYS 3 HN LYS 3 -3.842 -6.550 -11.051 14 HA LYS 3 HA LYS 3 -4.408 -5.541 -8.349 15 1HB LYS 3 2HB LYS 3 -5.139 -7.871 -8.700 16 2HB LYS 3 3HB LYS 3 -3.516 -8.317 -9.187 17 1HG LYS 3 2HG LYS 3 -2.914 -7.133 -6.817 18 2HG LYS 3 3HG LYS 3 -4.558 -7.620 -6.455 19 1HD LYS 3 2HD LYS 3 -3.935 -9.789 -6.208 20 2HD LYS 3 3HD LYS 3 -3.184 -9.810 -7.791 21 1HE LYS 3 2HE LYS 3 -1.271 -8.405 -6.511 22 2HE LYS 3 3HE LYS 3 -1.943 -9.211 -5.107 23 1HZ LYS 3 1HZ LYS 3 -1.514 -10.918 -7.366 24 2HZ LYS 3 2HZ LYS 3 -0.147 -10.291 -6.728 25 3HZ LYS 3 3HZ LYS 3 -1.160 -11.164 -5.790 26 H ALA 4 HN ALA 4 -2.873 -3.955 -8.089 27 HA ALA 4 HA ALA 4 -0.193 -4.430 -9.056 28 1HB ALA 4 1HB ALA 4 -0.282 -2.192 -9.207 29 2HB ALA 4 2HB ALA 4 -1.865 -2.180 -8.393 30 3HB ALA 4 3HB ALA 4 -0.370 -2.091 -7.432 31 H VAL 5 HN VAL 5 1.659 -3.856 -7.431 32 HA VAL 5 HA VAL 5 1.054 -4.694 -4.725 33 HB VAL 5 HB VAL 5 3.165 -6.283 -5.091 34 1HG1 VAL 5 1HG1 VAL 5 0.798 -6.767 -4.218 35 2HG1 VAL 5 2HG1 VAL 5 0.423 -7.284 -5.880 36 3HG1 VAL 5 3HG1 VAL 5 1.694 -8.118 -4.954 37 1HG2 VAL 5 1HG2 VAL 5 1.798 -7.058 -7.595 38 2HG2 VAL 5 2HG2 VAL 5 2.756 -5.561 -7.691 39 3HG2 VAL 5 3HG2 VAL 5 3.527 -7.080 -7.173 40 H ALA 6 HN ALA 6 2.620 -3.962 -3.216 41 HA ALA 6 HA ALA 6 4.879 -2.496 -4.353 42 1HB ALA 6 1HB ALA 6 4.224 -0.464 -3.557 43 2HB ALA 6 2HB ALA 6 2.594 -1.169 -3.675 44 3HB ALA 6 3HB ALA 6 3.450 -1.162 -2.115 45 H VAL 7 HN VAL 7 6.535 -3.702 -3.523 46 HA VAL 7 HA VAL 7 6.269 -4.822 -0.876 47 HB VAL 7 HB VAL 7 8.433 -4.917 -2.983 48 1HG1 VAL 7 1HG1 VAL 7 8.379 -5.890 -0.162 49 2HG1 VAL 7 2HG1 VAL 7 9.078 -6.971 -1.391 50 3HG1 VAL 7 3HG1 VAL 7 9.745 -5.337 -1.161 51 1HG2 VAL 7 1HG2 VAL 7 6.004 -6.460 -2.467 52 2HG2 VAL 7 2HG2 VAL 7 7.054 -6.423 -3.904 53 3HG2 VAL 7 3HG2 VAL 7 7.460 -7.481 -2.531 54 H LEU 8 HN LEU 8 6.152 -2.970 0.485 55 HA LEU 8 HA LEU 8 7.613 -0.724 0.425 56 1HB LEU 8 2HB LEU 8 6.597 -2.418 2.672 57 2HB LEU 8 3HB LEU 8 7.575 -1.010 3.034 58 HG LEU 8 HG LEU 8 5.044 -0.727 3.079 59 1HD1 LEU 8 1HD1 LEU 8 5.971 1.321 3.209 60 2HD1 LEU 8 2HD1 LEU 8 7.065 1.037 1.834 61 3HD1 LEU 8 3HD1 LEU 8 5.365 1.477 1.542 62 1HD2 LEU 8 1HD2 LEU 8 4.149 -0.100 0.728 63 2HD2 LEU 8 2HD2 LEU 8 5.468 -1.134 0.129 64 3HD2 LEU 8 3HD2 LEU 8 4.221 -1.814 1.202 65 H LYS 9 HN LYS 9 9.651 0.022 1.200 66 HA LYS 9 HA LYS 9 11.531 -1.619 2.424 67 1HB LYS 9 2HB LYS 9 13.062 -2.092 0.561 68 2HB LYS 9 3HB LYS 9 11.538 -2.939 0.393 69 1HG LYS 9 2HG LYS 9 10.831 -0.795 -1.021 70 2HG LYS 9 3HG LYS 9 12.560 -0.554 -1.167 71 1HD LYS 9 2HD LYS 9 11.855 -3.357 -1.668 72 2HD LYS 9 3HD LYS 9 10.946 -2.290 -2.720 73 1HE LYS 9 2HE LYS 9 12.794 -1.738 -3.942 74 2HE LYS 9 3HE LYS 9 13.766 -1.464 -2.510 75 1HZ LYS 9 1HZ LYS 9 14.513 -3.560 -2.541 76 2HZ LYS 9 2HZ LYS 9 13.115 -4.210 -3.080 77 3HZ LYS 9 3HZ LYS 9 14.140 -3.491 -4.129 78 H GLY 10 HN GLY 10 12.992 -0.263 3.350 79 1HA GLY 10 1HA GLY 10 14.131 1.962 2.060 80 2HA GLY 10 2HA GLY 10 12.775 2.508 3.025 81 H ASP 11 HN ASP 11 12.823 2.330 5.338 82 HA ASP 11 HA ASP 11 15.038 2.909 6.601 83 1HB ASP 11 2HB ASP 11 12.641 2.568 7.523 84 2HB ASP 11 3HB ASP 11 13.085 0.895 7.795 85 H GLY 12 HN GLY 12 13.970 -0.370 5.598 86 1HA GLY 12 1HA GLY 12 16.065 -1.727 5.050 87 2HA GLY 12 2HA GLY 12 16.410 -1.549 6.759 88 HA PRO 13 HA PRO 13 13.605 -4.728 7.708 89 1HB PRO 13 2HB PRO 13 12.226 -3.900 9.917 90 2HB PRO 13 3HB PRO 13 13.869 -4.505 9.984 91 1HG PRO 13 2HG PRO 13 12.911 -1.717 10.204 92 2HG PRO 13 3HG PRO 13 14.458 -2.388 10.683 93 1HD PRO 13 2HD PRO 13 13.919 -0.816 8.345 94 2HD PRO 13 3HD PRO 13 15.437 -1.583 8.765 95 H VAL 14 HN VAL 14 11.977 -1.640 7.544 96 HA VAL 14 HA VAL 14 9.395 -2.586 7.318 97 HB VAL 14 HB VAL 14 10.901 -0.149 6.556 98 1HG1 VAL 14 1HG1 VAL 14 8.391 -1.025 5.181 99 2HG1 VAL 14 2HG1 VAL 14 8.552 0.688 5.636 100 3HG1 VAL 14 3HG1 VAL 14 9.759 -0.066 4.567 101 1HG2 VAL 14 1HG2 VAL 14 9.431 -0.885 8.720 102 2HG2 VAL 14 2HG2 VAL 14 9.712 0.804 8.230 103 3HG2 VAL 14 3HG2 VAL 14 8.201 -0.017 7.770 104 H GLN 15 HN GLN 15 9.334 -4.537 6.106 105 HA GLN 15 HA GLN 15 9.884 -4.131 3.270 106 1HB GLN 15 2HB GLN 15 11.162 -5.943 4.688 107 2HB GLN 15 3HB GLN 15 9.672 -6.858 4.576 108 1HG GLN 15 2HG GLN 15 9.967 -6.102 1.951 109 2HG GLN 15 3HG GLN 15 11.649 -6.178 2.438 110 1HE2 GLN 15 1HE2 GLN 15 8.596 -7.960 2.435 111 2HE2 GLN 15 2HE2 GLN 15 9.261 -9.558 2.368 112 H GLY 16 HN GLY 16 7.450 -3.230 4.549 113 1HA GLY 16 1HA GLY 16 5.306 -4.907 4.612 114 2HA GLY 16 2HA GLY 16 5.247 -3.240 4.074 115 H ILE 17 HN ILE 17 3.508 -5.195 3.001 116 HA ILE 17 HA ILE 17 4.395 -5.127 0.231 117 HB ILE 17 HB ILE 17 3.600 -7.621 1.723 118 1HG1 ILE 17 2HG1 ILE 17 5.960 -7.213 -0.114 119 2HG1 ILE 17 3HG1 ILE 17 6.035 -6.777 1.582 120 1HG2 ILE 17 1HG2 ILE 17 3.768 -7.244 -1.280 121 2HG2 ILE 17 2HG2 ILE 17 3.496 -8.778 -0.419 122 3HG2 ILE 17 3HG2 ILE 17 2.277 -7.484 -0.338 123 1HD1 ILE 17 1HD1 ILE 17 5.021 -9.520 0.793 124 2HD1 ILE 17 2HD1 ILE 17 6.770 -9.194 0.845 125 3HD1 ILE 17 3HD1 ILE 17 5.785 -9.003 2.316 126 H ILE 18 HN ILE 18 2.882 -3.766 -0.590 127 HA ILE 18 HA ILE 18 0.136 -4.098 0.355 128 HB ILE 18 HB ILE 18 -0.218 -1.909 -0.094 129 1HG1 ILE 18 2HG1 ILE 18 1.538 -0.733 -1.780 130 2HG1 ILE 18 3HG1 ILE 18 1.571 -2.362 -2.425 131 1HG2 ILE 18 1HG2 ILE 18 1.350 -0.806 1.086 132 2HG2 ILE 18 2HG2 ILE 18 2.047 -2.429 1.297 133 3HG2 ILE 18 3HG2 ILE 18 2.681 -1.346 0.036 134 1HD1 ILE 18 1HD1 ILE 18 -0.421 -0.380 -2.853 135 2HD1 ILE 18 2HD1 ILE 18 -0.454 -2.076 -3.393 136 3HD1 ILE 18 3HD1 ILE 18 -1.178 -1.625 -1.831 137 H ASN 19 HN ASN 19 -1.624 -4.001 -1.303 138 HA ASN 19 HA ASN 19 -0.738 -4.891 -3.906 139 1HB ASN 19 2HB ASN 19 -3.084 -6.378 -2.770 140 2HB ASN 19 3HB ASN 19 -1.825 -6.954 -3.845 141 1HD2 ASN 19 1HD2 ASN 19 -3.087 -7.529 -1.002 142 2HD2 ASN 19 2HD2 ASN 19 -1.719 -7.997 -0.049 143 H PHE 20 HN PHE 20 -1.832 -3.537 -5.335 144 HA PHE 20 HA PHE 20 -4.302 -2.310 -4.410 145 1HB PHE 20 2HB PHE 20 -2.087 -1.827 -6.399 146 2HB PHE 20 3HB PHE 20 -3.669 -1.280 -6.918 147 HD1 PHE 20 1HD PHE 20 -2.592 -1.262 -3.395 148 HD2 PHE 20 2HD PHE 20 -3.152 1.051 -6.908 149 HE1 PHE 20 1HE PHE 20 -2.304 0.842 -2.056 150 HE2 PHE 20 2HE PHE 20 -2.864 3.154 -5.570 151 HZ PHE 20 HZ PHE 20 -2.444 3.025 -3.160 152 H GLU 21 HN GLU 21 -5.951 -3.829 -4.697 153 HA GLU 21 HA GLU 21 -6.149 -4.923 -7.389 154 1HB GLU 21 2HB GLU 21 -6.087 -6.408 -5.215 155 2HB GLU 21 3HB GLU 21 -7.756 -5.912 -5.019 156 1HG GLU 21 2HG GLU 21 -6.535 -7.438 -7.355 157 2HG GLU 21 3HG GLU 21 -7.784 -7.988 -6.256 158 H GLN 22 HN GLN 22 -7.716 -4.121 -8.726 159 HA GLN 22 HA GLN 22 -10.047 -2.956 -7.443 160 1HB GLN 22 2HB GLN 22 -8.514 -1.092 -8.006 161 2HB GLN 22 3HB GLN 22 -8.427 -1.641 -9.669 162 1HG GLN 22 2HG GLN 22 -11.140 -1.463 -9.405 163 2HG GLN 22 3HG GLN 22 -10.664 -0.243 -8.240 164 1HE2 GLN 22 1HE2 GLN 22 -11.503 1.401 -9.499 165 2HE2 GLN 22 2HE2 GLN 22 -10.730 1.991 -10.932 166 H LYS 23 HN LYS 23 -10.433 -5.401 -8.227 167 HA LYS 23 HA LYS 23 -10.839 -5.715 -11.026 168 1HB LYS 23 2HB LYS 23 -10.834 -7.358 -8.657 169 2HB LYS 23 3HB LYS 23 -12.290 -7.674 -9.579 170 1HG LYS 23 2HG LYS 23 -10.952 -8.062 -11.628 171 2HG LYS 23 3HG LYS 23 -9.479 -7.644 -10.775 172 1HD LYS 23 2HD LYS 23 -10.248 -9.574 -9.102 173 2HD LYS 23 3HD LYS 23 -11.214 -10.104 -10.464 174 1HE LYS 23 2HE LYS 23 -8.895 -9.764 -11.793 175 2HE LYS 23 3HE LYS 23 -8.211 -9.990 -10.195 176 1HZ LYS 23 1HZ LYS 23 -10.168 -11.910 -10.545 177 2HZ LYS 23 2HZ LYS 23 -9.254 -11.917 -11.898 178 3HZ LYS 23 3HZ LYS 23 -8.554 -12.133 -10.439 179 H GLU 24 HN GLU 24 -12.058 -3.481 -10.968 180 HA GLU 24 HA GLU 24 -14.874 -4.187 -10.798 181 1HB GLU 24 2HB GLU 24 -13.455 -1.872 -9.514 182 2HB GLU 24 3HB GLU 24 -15.041 -1.559 -10.191 183 1HG GLU 24 2HG GLU 24 -14.480 -3.865 -8.272 184 2HG GLU 24 3HG GLU 24 -15.013 -2.284 -7.734 185 H SER 25 HN SER 25 -12.453 -1.747 -11.975 186 HA SER 25 HA SER 25 -12.111 -1.040 -14.033 187 1HB SER 25 2HB SER 25 -13.680 -3.236 -14.627 188 2HB SER 25 3HB SER 25 -14.652 -1.937 -15.289 189 HG SER 25 HG SER 25 -11.925 -2.626 -15.945 190 H ASN 26 HN ASN 26 -14.811 -0.538 -12.024 191 HA ASN 26 HA ASN 26 -15.071 2.119 -13.028 192 1HB ASN 26 2HB ASN 26 -16.859 0.304 -14.085 193 2HB ASN 26 3HB ASN 26 -17.730 0.782 -12.641 194 1HD2 ASN 26 1HD2 ASN 26 -18.124 1.282 -15.560 195 2HD2 ASN 26 2HD2 ASN 26 -18.311 2.995 -15.735 196 H GLY 27 HN GLY 27 -14.195 0.529 -10.588 197 1HA GLY 27 1HA GLY 27 -15.997 1.804 -8.627 198 2HA GLY 27 2HA GLY 27 -15.485 0.139 -8.439 199 HA PRO 28 HA PRO 28 -12.345 2.830 -6.490 200 1HB PRO 28 2HB PRO 28 -12.610 1.975 -3.908 201 2HB PRO 28 3HB PRO 28 -13.407 3.407 -4.530 202 1HG PRO 28 2HG PRO 28 -14.563 0.752 -3.934 203 2HG PRO 28 3HG PRO 28 -15.385 2.286 -4.142 204 1HD PRO 28 2HD PRO 28 -15.243 0.145 -6.044 205 2HD PRO 28 3HD PRO 28 -15.964 1.722 -6.294 206 H VAL 29 HN VAL 29 -10.223 2.342 -5.651 207 HA VAL 29 HA VAL 29 -9.549 -0.357 -6.466 208 HB VAL 29 HB VAL 29 -7.777 1.927 -5.579 209 1HG1 VAL 29 1HG1 VAL 29 -7.270 -0.830 -6.298 210 2HG1 VAL 29 2HG1 VAL 29 -6.472 0.270 -7.447 211 3HG1 VAL 29 3HG1 VAL 29 -6.142 0.412 -5.704 212 1HG2 VAL 29 1HG2 VAL 29 -8.716 1.163 -8.364 213 2HG2 VAL 29 2HG2 VAL 29 -9.087 2.664 -7.481 214 3HG2 VAL 29 3HG2 VAL 29 -7.420 2.330 -8.009 215 H LYS 30 HN LYS 30 -9.405 -2.011 -5.048 216 HA LYS 30 HA LYS 30 -9.741 -1.531 -2.277 217 1HB LYS 30 2HB LYS 30 -9.965 -3.712 -4.079 218 2HB LYS 30 3HB LYS 30 -8.808 -4.194 -2.855 219 1HG LYS 30 2HG LYS 30 -10.359 -3.974 -1.095 220 2HG LYS 30 3HG LYS 30 -11.341 -2.810 -1.962 221 1HD LYS 30 2HD LYS 30 -12.148 -4.580 -3.497 222 2HD LYS 30 3HD LYS 30 -11.096 -5.756 -2.735 223 1HE LYS 30 2HE LYS 30 -12.336 -5.141 -0.512 224 2HE LYS 30 3HE LYS 30 -13.530 -4.375 -1.541 225 1HZ LYS 30 1HZ LYS 30 -13.464 -6.615 -2.761 226 2HZ LYS 30 2HZ LYS 30 -12.822 -7.192 -1.375 227 3HZ LYS 30 3HZ LYS 30 -14.300 -6.499 -1.363 228 H VAL 31 HN VAL 31 -8.066 -0.206 -1.507 229 HA VAL 31 HA VAL 31 -5.344 -1.102 -1.948 230 HB VAL 31 HB VAL 31 -6.540 1.286 -0.530 231 1HG1 VAL 31 1HG1 VAL 31 -3.881 0.167 -0.379 232 2HG1 VAL 31 2HG1 VAL 31 -3.829 1.765 -1.161 233 3HG1 VAL 31 3HG1 VAL 31 -4.560 1.587 0.452 234 1HG2 VAL 31 1HG2 VAL 31 -4.862 1.744 -2.890 235 2HG2 VAL 31 2HG2 VAL 31 -6.321 0.787 -3.245 236 3HG2 VAL 31 3HG2 VAL 31 -6.471 2.389 -2.483 237 H TRP 32 HN TRP 32 -4.372 -2.541 -0.626 238 HA TRP 32 HA TRP 32 -4.768 -2.364 2.205 239 1HB TRP 32 2HB TRP 32 -6.058 -4.132 2.639 240 2HB TRP 32 3HB TRP 32 -6.674 -3.841 1.024 241 HD1 TRP 32 HD1 TRP 32 -3.945 -6.089 2.691 242 HE1 TRP 32 HE1 TRP 32 -3.714 -8.376 1.394 243 HE3 TRP 32 HE3 TRP 32 -7.256 -4.938 -0.992 244 HZ2 TRP 32 HZ2 TRP 32 -4.915 -9.423 -0.973 245 HZ3 TRP 32 HZ3 TRP 32 -7.670 -6.648 -2.758 246 HH2 TRP 32 HH2 TRP 32 -6.562 -8.827 -2.788 247 H GLY 33 HN GLY 33 -3.224 -3.909 3.314 248 1HA GLY 33 1HA GLY 33 -1.389 -5.483 1.896 249 2HA GLY 33 2HA GLY 33 -0.708 -3.877 2.066 250 H SER 34 HN SER 34 0.952 -5.016 3.423 251 HA SER 34 HA SER 34 0.173 -4.794 6.155 252 1HB SER 34 2HB SER 34 1.184 -7.115 6.681 253 2HB SER 34 3HB SER 34 -0.437 -7.076 6.018 254 HG SER 34 HG SER 34 1.588 -8.455 5.057 255 H ILE 35 HN ILE 35 1.867 -3.795 7.196 256 HA ILE 35 HA ILE 35 4.374 -3.608 5.778 257 HB ILE 35 HB ILE 35 2.879 -2.042 7.668 258 1HG1 ILE 35 2HG1 ILE 35 5.188 -0.679 6.725 259 2HG1 ILE 35 3HG1 ILE 35 4.654 -1.729 5.428 260 1HG2 ILE 35 1HG2 ILE 35 5.806 -2.390 8.367 261 2HG2 ILE 35 2HG2 ILE 35 4.646 -1.266 9.117 262 3HG2 ILE 35 3HG2 ILE 35 4.442 -3.023 9.320 263 1HD1 ILE 35 1HD1 ILE 35 2.523 -0.716 5.294 264 2HD1 ILE 35 2HD1 ILE 35 2.627 -0.062 6.945 265 3HD1 ILE 35 3HD1 ILE 35 3.594 0.663 5.638 266 H LYS 36 HN LYS 36 6.463 -3.826 7.122 267 HA LYS 36 HA LYS 36 6.290 -5.767 9.245 268 1HB LYS 36 2HB LYS 36 7.416 -6.464 6.529 269 2HB LYS 36 3HB LYS 36 7.937 -7.285 7.987 270 1HG LYS 36 2HG LYS 36 5.212 -7.397 8.321 271 2HG LYS 36 3HG LYS 36 5.306 -7.414 6.571 272 1HD LYS 36 2HD LYS 36 7.291 -9.222 7.201 273 2HD LYS 36 3HD LYS 36 6.186 -9.479 8.537 274 1HE LYS 36 2HE LYS 36 4.611 -10.471 7.204 275 2HE LYS 36 3HE LYS 36 4.786 -9.269 5.941 276 1HZ LYS 36 1HZ LYS 36 7.109 -10.782 6.027 277 2HZ LYS 36 2HZ LYS 36 5.850 -11.821 6.015 278 3HZ LYS 36 3HZ LYS 36 6.000 -10.707 4.831 279 H GLY 37 HN GLY 37 7.297 -4.332 10.635 280 1HA GLY 37 1HA GLY 37 9.890 -4.209 11.051 281 2HA GLY 37 2HA GLY 37 9.769 -3.044 9.748 282 H LEU 38 HN LEU 38 7.040 -2.100 10.467 283 HA LEU 38 HA LEU 38 7.714 0.013 12.093 284 1HB LEU 38 2HB LEU 38 5.164 -1.226 11.165 285 2HB LEU 38 3HB LEU 38 5.087 -0.011 12.424 286 HG LEU 38 HG LEU 38 4.921 0.567 9.821 287 1HD1 LEU 38 1HD1 LEU 38 4.624 2.083 11.785 288 2HD1 LEU 38 2HD1 LEU 38 6.379 2.379 11.760 289 3HD1 LEU 38 3HD1 LEU 38 5.376 2.853 10.368 290 1HD2 LEU 38 1HD2 LEU 38 7.276 -0.367 9.499 291 2HD2 LEU 38 2HD2 LEU 38 6.930 1.235 8.804 292 3HD2 LEU 38 3HD2 LEU 38 7.848 1.104 10.323 293 H THR 39 HN THR 39 5.868 0.273 14.153 294 HA THR 39 HA THR 39 6.349 -2.025 15.902 295 HB THR 39 HB THR 39 7.076 -0.310 17.676 296 HG1 THR 39 1HG THR 39 7.867 1.705 16.491 297 1HG2 THR 39 1HG2 THR 39 9.342 -0.319 17.016 298 2HG2 THR 39 2HG2 THR 39 8.701 -1.658 16.034 299 3HG2 THR 39 3HG2 THR 39 8.942 -0.053 15.302 300 H GLU 40 HN GLU 40 4.782 -2.382 17.464 301 HA GLU 40 HA GLU 40 2.262 -1.834 16.902 302 1HB GLU 40 2HB GLU 40 3.120 -3.339 18.734 303 2HB GLU 40 3HB GLU 40 3.363 -1.928 19.745 304 1HG GLU 40 2HG GLU 40 0.647 -2.402 18.487 305 2HG GLU 40 3HG GLU 40 1.104 -3.315 19.911 306 H GLY 41 HN GLY 41 1.590 0.193 16.206 307 1HA GLY 41 1HA GLY 41 0.693 2.101 17.904 308 2HA GLY 41 2HA GLY 41 2.357 2.579 17.635 309 H LEU 42 HN LEU 42 0.638 4.414 16.765 310 HA LEU 42 HA LEU 42 -0.298 3.906 14.119 311 1HB LEU 42 2HB LEU 42 -0.160 6.302 15.924 312 2HB LEU 42 3HB LEU 42 -0.597 6.477 14.236 313 HG LEU 42 HG LEU 42 -2.124 4.366 15.578 314 1HD1 LEU 42 1HD1 LEU 42 -3.524 6.441 16.630 315 2HD1 LEU 42 2HD1 LEU 42 -2.383 5.425 17.544 316 3HD1 LEU 42 3HD1 LEU 42 -1.853 6.995 16.894 317 1HD2 LEU 42 1HD2 LEU 42 -2.807 6.812 13.934 318 2HD2 LEU 42 2HD2 LEU 42 -2.787 5.109 13.417 319 3HD2 LEU 42 3HD2 LEU 42 -4.020 5.676 14.570 320 H HIS 43 HN HIS 43 0.526 4.742 12.140 321 HA HIS 43 HA HIS 43 3.049 6.111 12.212 322 1HB HIS 43 2HB HIS 43 4.388 4.498 11.187 323 2HB HIS 43 3HB HIS 43 3.551 3.623 12.455 324 HD1 HIS 43 HD1 HIS 43 4.043 3.725 8.780 325 HD2 HIS 43 HD2 HIS 43 1.440 1.872 11.497 326 HE1 HIS 43 HE1 HIS 43 2.879 1.855 7.492 327 H GLY 44 HN GLY 44 3.597 7.043 10.123 328 1HA GLY 44 1HA GLY 44 1.235 7.588 8.550 329 2HA GLY 44 2HA GLY 44 2.825 8.306 8.388 330 H PHE 45 HN PHE 45 1.235 7.420 6.162 331 HA PHE 45 HA PHE 45 3.160 5.823 4.854 332 1HB PHE 45 2HB PHE 45 1.989 4.033 6.131 333 2HB PHE 45 3HB PHE 45 0.426 4.672 5.662 334 HD1 PHE 45 1HD PHE 45 3.324 2.732 4.566 335 HD2 PHE 45 2HD PHE 45 -0.463 4.275 3.433 336 HE1 PHE 45 1HE PHE 45 3.295 1.200 2.578 337 HE2 PHE 45 2HE PHE 45 -0.492 2.744 1.445 338 HZ PHE 45 HZ PHE 45 1.387 1.225 1.041 339 H HIS 46 HN HIS 46 3.162 7.376 3.220 340 HA HIS 46 HA HIS 46 1.085 7.173 1.330 341 1HB HIS 46 2HB HIS 46 0.322 9.517 1.374 342 2HB HIS 46 3HB HIS 46 -0.154 8.614 2.798 343 HD1 HIS 46 HD1 HIS 46 2.904 10.769 1.892 344 HD2 HIS 46 HD2 HIS 46 0.176 10.146 5.017 345 HE1 HIS 46 HE1 HIS 46 3.553 12.401 3.743 346 H VAL 47 HN VAL 47 1.511 9.047 -0.444 347 HA VAL 47 HA VAL 47 4.394 8.943 -0.858 348 HB VAL 47 HB VAL 47 2.288 9.826 -2.820 349 1HG1 VAL 47 1HG1 VAL 47 4.784 8.305 -3.501 350 2HG1 VAL 47 2HG1 VAL 47 3.880 9.503 -4.458 351 3HG1 VAL 47 3HG1 VAL 47 4.903 10.036 -3.103 352 1HG2 VAL 47 1HG2 VAL 47 1.366 7.790 -2.748 353 2HG2 VAL 47 2HG2 VAL 47 2.892 7.166 -3.419 354 3HG2 VAL 47 3HG2 VAL 47 2.633 7.177 -1.658 355 H HIS 48 HN HIS 48 5.518 10.642 -0.051 356 HA HIS 48 HA HIS 48 4.655 13.275 -0.820 357 1HB HIS 48 2HB HIS 48 3.602 13.697 1.103 358 2HB HIS 48 3HB HIS 48 4.220 12.248 1.870 359 HD1 HIS 48 HD1 HIS 48 6.645 12.454 3.026 360 HD2 HIS 48 HD2 HIS 48 4.855 16.061 1.846 361 HE1 HIS 48 HE1 HIS 48 7.904 14.310 4.243 362 H GLU 49 HN GLU 49 6.490 13.826 -1.911 363 HA GLU 49 HA GLU 49 8.903 13.895 -0.354 364 1HB GLU 49 2HB GLU 49 8.483 11.751 -2.129 365 2HB GLU 49 3HB GLU 49 9.501 12.853 -3.034 366 1HG GLU 49 2HG GLU 49 11.086 12.957 -1.077 367 2HG GLU 49 3HG GLU 49 10.083 11.799 -0.226 368 H GLU 50 HN GLU 50 9.407 16.039 -0.510 369 HA GLU 50 HA GLU 50 8.449 17.697 -2.465 370 1HB GLU 50 2HB GLU 50 10.361 17.845 -0.246 371 2HB GLU 50 3HB GLU 50 10.854 18.874 -1.576 372 1HG GLU 50 2HG GLU 50 9.379 20.392 -0.728 373 2HG GLU 50 3HG GLU 50 8.134 19.400 -1.461 374 H GLU 51 HN GLU 51 12.018 17.369 -2.122 375 HA GLU 51 HA GLU 51 12.094 17.016 -5.018 376 1HB GLU 51 2HB GLU 51 13.805 18.622 -3.119 377 2HB GLU 51 3HB GLU 51 14.532 18.007 -4.590 378 1HG GLU 51 2HG GLU 51 12.880 19.159 -5.977 379 2HG GLU 51 3HG GLU 51 11.932 19.605 -4.572 380 H ASP 52 HN ASP 52 14.680 16.712 -2.510 381 HA ASP 52 HA ASP 52 16.001 15.083 -1.966 382 1HB ASP 52 2HB ASP 52 13.714 13.277 -2.885 383 2HB ASP 52 3HB ASP 52 15.110 12.715 -1.987 384 H ASN 53 HN ASN 53 17.374 15.729 -3.861 385 HA ASN 53 HA ASN 53 17.145 13.848 -6.072 386 1HB ASN 53 2HB ASN 53 18.505 16.589 -5.905 387 2HB ASN 53 3HB ASN 53 18.580 15.551 -7.315 388 1HD2 ASN 53 1HD2 ASN 53 17.489 16.782 -8.726 389 2HD2 ASN 53 2HD2 ASN 53 15.817 17.215 -8.599 390 H THR 54 HN THR 54 18.281 12.466 -4.184 391 HA THR 54 HA THR 54 21.141 12.578 -4.724 392 HB THR 54 HB THR 54 20.926 13.936 -2.692 393 HG1 THR 54 1HG THR 54 22.559 12.165 -2.827 394 1HG2 THR 54 1HG2 THR 54 18.627 12.597 -2.104 395 2HG2 THR 54 2HG2 THR 54 19.770 11.635 -1.136 396 3HG2 THR 54 3HG2 THR 54 19.612 13.385 -0.847 397 H ALA 55 HN ALA 55 18.374 10.895 -3.134 398 HA ALA 55 HA ALA 55 18.549 8.576 -4.482 399 1HB ALA 55 1HB ALA 55 20.507 7.615 -3.929 400 2HB ALA 55 2HB ALA 55 20.844 8.867 -2.709 401 3HB ALA 55 3HB ALA 55 19.873 7.440 -2.275 402 H GLY 56 HN GLY 56 16.537 7.833 -4.053 403 1HA GLY 56 1HA GLY 56 15.718 7.452 -1.292 404 2HA GLY 56 2HA GLY 56 14.802 8.645 -2.191 405 H CYS 57 HN CYS 57 16.232 5.373 -2.920 406 HA CYS 57 HA CYS 57 15.284 3.509 -3.618 407 1HB CYS 57 2HB CYS 57 12.489 4.518 -3.660 408 2HB CYS 57 3HB CYS 57 13.121 2.961 -3.162 409 H THR 58 HN THR 58 13.136 6.180 -4.868 410 HA THR 58 HA THR 58 14.242 5.773 -7.530 411 HB THR 58 HB THR 58 12.047 5.322 -8.508 412 HG1 THR 58 1HG THR 58 10.201 5.476 -7.103 413 1HG2 THR 58 1HG2 THR 58 13.074 3.277 -7.496 414 2HG2 THR 58 2HG2 THR 58 12.334 3.689 -5.930 415 3HG2 THR 58 3HG2 THR 58 11.303 3.254 -7.315 416 H SER 59 HN SER 59 11.827 7.311 -8.575 417 HA SER 59 HA SER 59 12.236 9.825 -7.224 418 1HB SER 59 2HB SER 59 12.383 10.281 -10.093 419 2HB SER 59 3HB SER 59 13.482 10.810 -8.834 420 HG SER 59 HG SER 59 13.510 8.317 -10.290 421 H ALA 60 HN ALA 60 10.921 8.595 -10.396 422 HA ALA 60 HA ALA 60 8.898 8.673 -11.285 423 1HB ALA 60 1HB ALA 60 6.925 8.663 -9.660 424 2HB ALA 60 2HB ALA 60 8.114 7.355 -9.450 425 3HB ALA 60 3HB ALA 60 8.125 8.753 -8.348 426 H GLY 61 HN GLY 61 8.141 10.817 -8.475 427 1HA GLY 61 1HA GLY 61 8.401 13.186 -10.146 428 2HA GLY 61 2HA GLY 61 6.771 12.764 -9.660 429 HA PRO 62 HA PRO 62 9.393 14.270 -5.979 430 1HB PRO 62 2HB PRO 62 10.898 16.472 -6.577 431 2HB PRO 62 3HB PRO 62 11.561 14.852 -6.491 432 1HG PRO 62 2HG PRO 62 10.959 16.484 -8.881 433 2HG PRO 62 3HG PRO 62 11.991 15.075 -8.746 434 1HD PRO 62 2HD PRO 62 9.347 15.165 -9.853 435 2HD PRO 62 3HD PRO 62 10.334 13.737 -9.612 436 H HIS 63 HN HIS 63 6.952 14.566 -6.012 437 HA HIS 63 HA HIS 63 6.564 17.284 -5.195 438 1HB HIS 63 2HB HIS 63 5.732 16.383 -7.846 439 2HB HIS 63 3HB HIS 63 4.377 16.958 -6.895 440 HD1 HIS 63 HD1 HIS 63 7.663 18.123 -8.376 441 HD2 HIS 63 HD2 HIS 63 4.297 19.723 -6.451 442 HE1 HIS 63 HE1 HIS 63 7.840 20.657 -8.616 443 H PHE 64 HN PHE 64 4.631 14.399 -6.293 444 HA PHE 64 HA PHE 64 2.875 13.429 -5.319 445 1HB PHE 64 2HB PHE 64 4.899 13.612 -3.006 446 2HB PHE 64 3HB PHE 64 3.575 12.464 -3.057 447 HD1 PHE 64 1HD PHE 64 3.787 11.746 -6.006 448 HD2 PHE 64 2HD PHE 64 6.720 12.113 -2.961 449 HE1 PHE 64 1HE PHE 64 5.252 10.109 -7.220 450 HE2 PHE 64 2HE PHE 64 8.185 10.476 -4.175 451 HZ PHE 64 HZ PHE 64 7.433 9.494 -6.290 452 H ASN 65 HN ASN 65 2.073 15.961 -5.407 453 HA ASN 65 HA ASN 65 1.027 16.394 -2.725 454 1HB ASN 65 2HB ASN 65 1.929 18.521 -4.738 455 2HB ASN 65 3HB ASN 65 1.073 18.883 -3.253 456 1HD2 ASN 65 1HD2 ASN 65 3.525 19.963 -3.795 457 2HD2 ASN 65 2HD2 ASN 65 4.729 19.337 -2.719 458 HA PRO 66 HA PRO 66 -2.209 16.120 -5.980 459 1HB PRO 66 2HB PRO 66 -3.645 14.037 -4.947 460 2HB PRO 66 3HB PRO 66 -2.406 13.834 -6.170 461 1HG PRO 66 2HG PRO 66 -2.282 13.204 -3.284 462 2HG PRO 66 3HG PRO 66 -1.248 12.632 -4.578 463 1HD PRO 66 2HD PRO 66 -0.618 14.654 -2.644 464 2HD PRO 66 3HD PRO 66 0.369 14.164 -4.007 465 H LEU 67 HN LEU 67 -2.775 18.228 -5.274 466 HA LEU 67 HA LEU 67 -4.461 19.529 -4.585 467 1HB LEU 67 2HB LEU 67 -5.639 17.041 -4.333 468 2HB LEU 67 3HB LEU 67 -5.793 17.716 -2.723 469 HG LEU 67 HG LEU 67 -6.584 19.418 -5.057 470 1HD1 LEU 67 1HD1 LEU 67 -7.641 16.821 -4.708 471 2HD1 LEU 67 2HD1 LEU 67 -8.874 17.961 -4.119 472 3HD1 LEU 67 3HD1 LEU 67 -8.232 18.120 -5.772 473 1HD2 LEU 67 1HD2 LEU 67 -7.423 19.139 -2.172 474 2HD2 LEU 67 2HD2 LEU 67 -6.701 20.540 -3.000 475 3HD2 LEU 67 3HD2 LEU 67 -8.379 20.063 -3.356 476 H SER 68 HN SER 68 -3.151 17.242 -2.106 477 HA SER 68 HA SER 68 -2.259 17.572 -0.156 478 1HB SER 68 2HB SER 68 -1.590 20.262 -1.407 479 2HB SER 68 3HB SER 68 -1.047 19.841 0.205 480 HG SER 68 HG SER 68 0.626 19.100 -0.989 481 H ARG 69 HN ARG 69 -2.743 21.056 -0.025 482 HA ARG 69 HA ARG 69 -4.284 22.322 0.881 483 1HB ARG 69 2HB ARG 69 -5.896 19.867 1.721 484 2HB ARG 69 3HB ARG 69 -6.476 21.516 1.599 485 1HG ARG 69 2HG ARG 69 -5.356 20.868 -0.955 486 2HG ARG 69 3HG ARG 69 -6.317 19.483 -0.475 487 1HD ARG 69 2HD ARG 69 -8.190 20.617 -1.073 488 2HD ARG 69 3HD ARG 69 -7.882 21.760 0.219 489 HE ARG 69 HE ARG 69 -6.184 22.548 -1.875 490 1HH1 ARG 69 2HH2 ARG 69 -9.651 22.151 -1.420 491 2HH1 ARG 69 1HH2 ARG 69 -10.071 23.376 -2.570 492 1HH2 ARG 69 2HH1 ARG 69 -6.738 24.164 -3.392 493 2HH2 ARG 69 1HH1 ARG 69 -8.403 24.529 -3.699 494 H LYS 70 HN LYS 70 -3.567 19.223 2.595 495 HA LYS 70 HA LYS 70 -2.788 18.804 4.618 496 1HB LYS 70 2HB LYS 70 -1.025 20.332 4.343 497 2HB LYS 70 3HB LYS 70 -2.078 21.728 4.454 498 1HG LYS 70 2HG LYS 70 -2.595 20.988 6.873 499 2HG LYS 70 3HG LYS 70 -1.286 19.835 6.709 500 1HD LYS 70 2HD LYS 70 -0.345 21.810 7.733 501 2HD LYS 70 3HD LYS 70 0.251 21.766 6.085 502 1HE LYS 70 2HE LYS 70 -0.541 23.886 5.861 503 2HE LYS 70 3HE LYS 70 -2.150 23.192 5.840 504 1HZ LYS 70 1HZ LYS 70 -2.432 24.421 7.647 505 2HZ LYS 70 2HZ LYS 70 -1.590 23.275 8.451 506 3HZ LYS 70 3HZ LYS 70 -0.835 24.624 7.924 507 H HIS 71 HN HIS 71 -3.578 18.620 6.772 508 HA HIS 71 HA HIS 71 -5.149 18.619 8.303 509 1HB HIS 71 2HB HIS 71 -4.794 20.637 9.209 510 2HB HIS 71 3HB HIS 71 -4.736 21.441 7.653 511 HD1 HIS 71 HD1 HIS 71 -7.534 19.824 9.746 512 HD2 HIS 71 HD2 HIS 71 -6.753 23.252 7.458 513 HE1 HIS 71 HE1 HIS 71 -9.646 21.251 9.852 514 H GLY 72 HN GLY 72 -6.530 17.090 7.331 515 1HA GLY 72 1HA GLY 72 -8.732 18.203 5.709 516 2HA GLY 72 2HA GLY 72 -8.156 16.548 5.668 517 H GLY 73 HN GLY 73 -8.437 15.193 7.679 518 1HA GLY 73 1HA GLY 73 -10.273 16.130 9.689 519 2HA GLY 73 2HA GLY 73 -11.007 15.030 8.539 520 HA PRO 74 HA PRO 74 -9.315 11.971 11.180 521 1HB PRO 74 2HB PRO 74 -10.555 9.810 10.056 522 2HB PRO 74 3HB PRO 74 -11.307 10.820 11.275 523 1HG PRO 74 2HG PRO 74 -11.828 10.726 8.367 524 2HG PRO 74 3HG PRO 74 -12.830 11.393 9.641 525 1HD PRO 74 2HD PRO 74 -11.199 12.862 7.794 526 2HD PRO 74 3HD PRO 74 -12.110 13.518 9.140 527 H LYS 75 HN LYS 75 -9.644 10.666 7.912 528 HA LYS 75 HA LYS 75 -6.828 9.897 8.133 529 1HB LYS 75 2HB LYS 75 -9.170 8.790 6.591 530 2HB LYS 75 3HB LYS 75 -7.525 8.431 6.106 531 1HG LYS 75 2HG LYS 75 -7.072 7.182 8.024 532 2HG LYS 75 3HG LYS 75 -8.181 8.101 9.022 533 1HD LYS 75 2HD LYS 75 -9.733 6.475 8.741 534 2HD LYS 75 3HD LYS 75 -9.806 6.872 7.035 535 1HE LYS 75 2HE LYS 75 -8.201 5.206 6.446 536 2HE LYS 75 3HE LYS 75 -7.593 5.076 8.085 537 1HZ LYS 75 1HZ LYS 75 -9.820 3.781 6.895 538 2HZ LYS 75 2HZ LYS 75 -8.977 3.375 8.234 539 3HZ LYS 75 3HZ LYS 75 -10.198 4.455 8.333 540 H ASP 76 HN ASP 76 -9.259 11.452 5.954 541 HA ASP 76 HA ASP 76 -7.446 13.377 5.142 542 1HB ASP 76 2HB ASP 76 -7.717 12.370 2.589 543 2HB ASP 76 3HB ASP 76 -6.274 12.211 3.570 544 H GLU 77 HN GLU 77 -9.286 14.753 5.440 545 HA GLU 77 HA GLU 77 -11.727 14.055 4.110 546 1HB GLU 77 2HB GLU 77 -11.705 15.062 6.401 547 2HB GLU 77 3HB GLU 77 -10.999 16.526 5.746 548 1HG GLU 77 2HG GLU 77 -13.377 16.917 5.912 549 2HG GLU 77 3HG GLU 77 -13.014 16.737 4.207 550 H GLU 78 HN GLU 78 -8.813 15.720 3.365 551 HA GLU 78 HA GLU 78 -10.200 17.087 1.191 552 1HB GLU 78 2HB GLU 78 -8.461 18.176 3.212 553 2HB GLU 78 3HB GLU 78 -7.628 18.292 1.674 554 1HG GLU 78 2HG GLU 78 -9.036 20.304 2.117 555 2HG GLU 78 3HG GLU 78 -9.539 19.466 0.662 556 H ARG 79 HN ARG 79 -6.681 16.607 1.861 557 HA ARG 79 HA ARG 79 -6.249 14.389 0.403 558 1HB ARG 79 2HB ARG 79 -6.805 16.718 -1.329 559 2HB ARG 79 3HB ARG 79 -5.239 16.009 -1.671 560 1HG ARG 79 2HG ARG 79 -7.375 13.987 -1.296 561 2HG ARG 79 3HG ARG 79 -7.685 15.075 -2.634 562 1HD ARG 79 2HD ARG 79 -4.876 14.098 -2.502 563 2HD ARG 79 3HD ARG 79 -6.057 12.831 -2.761 564 HE ARG 79 HE ARG 79 -5.351 14.968 -4.633 565 1HH1 ARG 79 2HH2 ARG 79 -7.843 12.658 -3.717 566 2HH1 ARG 79 1HH2 ARG 79 -8.579 12.637 -5.285 567 1HH2 ARG 79 2HH1 ARG 79 -6.321 14.939 -6.702 568 2HH2 ARG 79 1HH1 ARG 79 -7.707 13.943 -6.994 569 H HIS 80 HN HIS 80 -5.215 15.754 2.679 570 HA HIS 80 HA HIS 80 -3.108 17.347 2.526 571 1HB HIS 80 2HB HIS 80 -2.271 16.350 4.526 572 2HB HIS 80 3HB HIS 80 -4.021 16.281 4.573 573 HD1 HIS 80 HD1 HIS 80 -0.970 14.115 4.460 574 HD2 HIS 80 HD2 HIS 80 -5.138 13.657 4.344 575 HE1 HIS 80 HE1 HIS 80 -1.427 11.635 4.844 576 H VAL 81 HN VAL 81 -0.998 17.374 1.787 577 HA VAL 81 HA VAL 81 -0.196 15.997 -0.333 578 HB VAL 81 HB VAL 81 1.006 17.863 0.621 579 1HG1 VAL 81 1HG1 VAL 81 2.561 16.352 2.602 580 2HG1 VAL 81 2HG1 VAL 81 1.821 17.967 2.712 581 3HG1 VAL 81 3HG1 VAL 81 0.839 16.514 3.023 582 1HG2 VAL 81 1HG2 VAL 81 2.985 15.583 0.603 583 2HG2 VAL 81 2HG2 VAL 81 2.129 16.078 -0.877 584 3HG2 VAL 81 3HG2 VAL 81 3.172 17.240 -0.021 585 H GLY 82 HN GLY 82 -0.655 13.827 -0.582 586 1HA GLY 82 1HA GLY 82 0.787 11.782 -0.255 587 2HA GLY 82 2HA GLY 82 0.466 12.001 1.454 588 H ASP 83 HN ASP 83 -2.341 13.103 0.754 589 HA ASP 83 HA ASP 83 -4.326 12.186 0.996 590 1HB ASP 83 2HB ASP 83 -5.136 11.056 -1.085 591 2HB ASP 83 3HB ASP 83 -4.222 12.512 -1.425 592 H LEU 84 HN LEU 84 -3.828 10.772 2.876 593 HA LEU 84 HA LEU 84 -4.642 8.188 2.653 594 1HB LEU 84 2HB LEU 84 -2.002 8.444 1.631 595 2HB LEU 84 3HB LEU 84 -1.896 7.582 3.153 596 HG LEU 84 HG LEU 84 -4.058 6.401 1.788 597 1HD1 LEU 84 1HD1 LEU 84 -3.679 6.973 -0.362 598 2HD1 LEU 84 2HD1 LEU 84 -1.964 7.359 -0.078 599 3HD1 LEU 84 3HD1 LEU 84 -2.475 5.665 -0.265 600 1HD2 LEU 84 1HD2 LEU 84 -1.271 5.259 1.831 601 2HD2 LEU 84 2HD2 LEU 84 -2.220 5.454 3.325 602 3HD2 LEU 84 3HD2 LEU 84 -2.836 4.428 2.007 603 H GLY 85 HN GLY 85 -5.510 8.043 4.645 604 1HA GLY 85 1HA GLY 85 -4.835 9.624 6.808 605 2HA GLY 85 2HA GLY 85 -5.702 8.103 6.883 606 H ASN 86 HN ASN 86 -4.490 7.999 9.035 607 HA ASN 86 HA ASN 86 -1.703 7.343 8.708 608 1HB ASN 86 2HB ASN 86 -3.419 7.402 11.246 609 2HB ASN 86 3HB ASN 86 -1.670 7.305 11.196 610 1HD2 ASN 86 1HD2 ASN 86 -3.779 9.301 12.167 611 2HD2 ASN 86 2HD2 ASN 86 -3.234 10.840 11.591 612 H VAL 87 HN VAL 87 -0.921 5.279 9.937 613 HA VAL 87 HA VAL 87 -2.984 3.192 9.849 614 HB VAL 87 HB VAL 87 -0.139 2.719 9.006 615 1HG1 VAL 87 1HG1 VAL 87 -2.777 1.285 8.693 616 2HG1 VAL 87 2HG1 VAL 87 -1.400 0.935 7.620 617 3HG1 VAL 87 3HG1 VAL 87 -1.245 0.688 9.376 618 1HG2 VAL 87 1HG2 VAL 87 -0.876 4.505 7.551 619 2HG2 VAL 87 2HG2 VAL 87 -0.886 2.976 6.640 620 3HG2 VAL 87 3HG2 VAL 87 -2.414 3.668 7.234 621 H THR 88 HN THR 88 -2.169 1.160 11.085 622 HA THR 88 HA THR 88 -0.369 1.893 13.268 623 HB THR 88 HB THR 88 -3.226 0.842 13.625 624 HG1 THR 88 1HG THR 88 -3.500 3.027 14.411 625 1HG2 THR 88 1HG2 THR 88 -1.487 0.137 15.392 626 2HG2 THR 88 2HG2 THR 88 -1.241 1.871 15.712 627 3HG2 THR 88 3HG2 THR 88 -2.832 1.128 16.008 628 H ALA 89 HN ALA 89 0.592 0.101 14.353 629 HA ALA 89 HA ALA 89 0.749 -2.199 12.599 630 1HB ALA 89 1HB ALA 89 2.306 -1.203 15.007 631 2HB ALA 89 2HB ALA 89 2.591 -2.805 14.285 632 3HB ALA 89 3HB ALA 89 2.848 -1.334 13.317 633 H ASP 90 HN ASP 90 0.785 -4.435 13.659 634 HA ASP 90 HA ASP 90 -1.641 -4.679 15.105 635 1HB ASP 90 2HB ASP 90 -1.211 -6.399 13.511 636 2HB ASP 90 3HB ASP 90 0.451 -6.593 14.030 637 H LYS 91 HN LYS 91 1.163 -6.774 15.835 638 HA LYS 91 HA LYS 91 1.505 -5.499 18.434 639 1HB LYS 91 2HB LYS 91 -0.112 -7.114 19.012 640 2HB LYS 91 3HB LYS 91 0.591 -8.336 17.972 641 1HG LYS 91 2HG LYS 91 2.401 -8.746 19.441 642 2HG LYS 91 3HG LYS 91 2.265 -7.179 20.213 643 1HD LYS 91 2HD LYS 91 0.875 -8.014 21.799 644 2HD LYS 91 3HD LYS 91 -0.231 -8.615 20.579 645 1HE LYS 91 2HE LYS 91 0.957 -10.714 20.388 646 2HE LYS 91 3HE LYS 91 2.335 -10.101 21.280 647 1HZ LYS 91 1HZ LYS 91 1.293 -11.089 22.967 648 2HZ LYS 91 2HZ LYS 91 0.389 -9.731 23.031 649 3HZ LYS 91 3HZ LYS 91 -0.182 -11.056 22.266 650 H ASP 92 HN ASP 92 2.882 -6.068 15.643 651 HA ASP 92 HA ASP 92 5.425 -6.549 16.878 652 1HB ASP 92 2HB ASP 92 4.090 -8.439 14.964 653 2HB ASP 92 3HB ASP 92 5.791 -8.126 14.682 654 H GLY 93 HN GLY 93 3.755 -4.415 15.415 655 1HA GLY 93 1HA GLY 93 4.574 -2.629 14.186 656 2HA GLY 93 2HA GLY 93 5.816 -3.650 13.489 657 H VAL 94 HN VAL 94 4.022 -5.888 12.764 658 HA VAL 94 HA VAL 94 3.450 -5.334 10.201 659 HB VAL 94 HB VAL 94 1.839 -7.097 12.057 660 1HG1 VAL 94 1HG1 VAL 94 0.590 -7.152 10.124 661 2HG1 VAL 94 2HG1 VAL 94 1.992 -6.831 9.074 662 3HG1 VAL 94 3HG1 VAL 94 1.762 -8.448 9.783 663 1HG2 VAL 94 1HG2 VAL 94 3.820 -8.463 10.444 664 2HG2 VAL 94 2HG2 VAL 94 4.583 -7.207 11.447 665 3HG2 VAL 94 3HG2 VAL 94 3.590 -8.473 12.209 666 H ALA 95 HN ALA 95 2.398 -3.600 9.367 667 HA ALA 95 HA ALA 95 -0.137 -2.862 10.664 668 1HB ALA 95 1HB ALA 95 1.496 -1.019 8.914 669 2HB ALA 95 2HB ALA 95 0.321 -0.614 10.187 670 3HB ALA 95 3HB ALA 95 1.925 -1.248 10.626 671 H ASP 96 HN ASP 96 -1.907 -3.419 9.507 672 HA ASP 96 HA ASP 96 -1.497 -3.905 6.679 673 1HB ASP 96 2HB ASP 96 -3.466 -5.274 6.767 674 2HB ASP 96 3HB ASP 96 -2.549 -5.658 8.210 675 H VAL 97 HN VAL 97 -2.950 -2.890 5.105 676 HA VAL 97 HA VAL 97 -4.427 -0.602 6.213 677 HB VAL 97 HB VAL 97 -3.121 -0.874 3.499 678 1HG1 VAL 97 1HG1 VAL 97 -4.445 1.465 4.910 679 2HG1 VAL 97 2HG1 VAL 97 -3.485 1.601 3.417 680 3HG1 VAL 97 3HG1 VAL 97 -4.989 0.649 3.425 681 1HG2 VAL 97 1HG2 VAL 97 -1.304 0.422 4.260 682 2HG2 VAL 97 2HG2 VAL 97 -2.138 0.867 5.769 683 3HG2 VAL 97 3HG2 VAL 97 -1.556 -0.799 5.531 684 H SER 98 HN SER 98 -6.326 0.083 4.797 685 HA SER 98 HA SER 98 -7.373 -1.802 3.007 686 1HB SER 98 2HB SER 98 -9.309 -2.577 4.307 687 2HB SER 98 3HB SER 98 -7.821 -3.062 5.094 688 HG SER 98 HG SER 98 -8.055 -1.235 6.549 689 H ILE 99 HN ILE 99 -7.787 -0.036 1.641 690 HA ILE 99 HA ILE 99 -9.977 1.671 2.500 691 HB ILE 99 HB ILE 99 -7.578 2.941 1.228 692 1HG1 ILE 99 2HG1 ILE 99 -8.014 2.775 4.221 693 2HG1 ILE 99 3HG1 ILE 99 -6.885 1.757 3.348 694 1HG2 ILE 99 1HG2 ILE 99 -9.733 4.127 1.191 695 2HG2 ILE 99 2HG2 ILE 99 -9.805 4.038 2.967 696 3HG2 ILE 99 3HG2 ILE 99 -8.515 4.974 2.174 697 1HD1 ILE 99 1HD1 ILE 99 -5.364 3.442 3.110 698 2HD1 ILE 99 2HD1 ILE 99 -6.617 4.628 2.673 699 3HD1 ILE 99 3HD1 ILE 99 -6.298 4.260 4.385 700 H GLU 100 HN GLU 100 -10.999 2.792 0.617 701 HA GLU 100 HA GLU 100 -10.436 1.299 -1.826 702 1HB GLU 100 2HB GLU 100 -12.939 1.617 -0.308 703 2HB GLU 100 3HB GLU 100 -13.124 2.089 -1.986 704 1HG GLU 100 2HG GLU 100 -13.154 -0.084 -2.623 705 2HG GLU 100 3HG GLU 100 -11.557 -0.328 -1.943 706 H ASP 101 HN ASP 101 -9.398 2.738 -3.157 707 HA ASP 101 HA ASP 101 -10.041 5.509 -2.966 708 1HB ASP 101 2HB ASP 101 -8.184 3.917 -4.792 709 2HB ASP 101 3HB ASP 101 -8.339 5.661 -4.879 710 H SER 102 HN SER 102 -11.915 6.216 -4.012 711 HA SER 102 HA SER 102 -12.772 4.761 -6.350 712 1HB SER 102 2HB SER 102 -14.844 6.172 -6.121 713 2HB SER 102 3HB SER 102 -14.491 5.206 -4.702 714 HG SER 102 HG SER 102 -13.853 7.006 -3.563 715 H VAL 103 HN VAL 103 -10.754 7.365 -5.610 716 HA VAL 103 HA VAL 103 -11.564 9.031 -7.832 717 HB VAL 103 HB VAL 103 -9.349 9.193 -5.783 718 1HG1 VAL 103 1HG1 VAL 103 -8.324 10.437 -7.387 719 2HG1 VAL 103 2HG1 VAL 103 -9.840 10.763 -8.262 720 3HG1 VAL 103 3HG1 VAL 103 -9.442 11.690 -6.796 721 1HG2 VAL 103 1HG2 VAL 103 -10.738 10.419 -4.509 722 2HG2 VAL 103 2HG2 VAL 103 -11.382 11.315 -5.906 723 3HG2 VAL 103 3HG2 VAL 103 -12.037 9.711 -5.499 724 H ILE 104 HN ILE 104 -8.212 8.053 -6.949 725 HA ILE 104 HA ILE 104 -7.377 7.937 -9.592 726 HB ILE 104 HB ILE 104 -5.403 6.762 -8.656 727 1HG1 ILE 104 2HG1 ILE 104 -5.261 6.499 -6.188 728 2HG1 ILE 104 3HG1 ILE 104 -6.968 6.875 -6.060 729 1HG2 ILE 104 1HG2 ILE 104 -4.840 8.914 -8.484 730 2HG2 ILE 104 2HG2 ILE 104 -6.448 9.382 -7.881 731 3HG2 ILE 104 3HG2 ILE 104 -5.224 8.751 -6.754 732 1HD1 ILE 104 1HD1 ILE 104 -6.136 4.347 -6.228 733 2HD1 ILE 104 2HD1 ILE 104 -7.640 4.860 -7.029 734 3HD1 ILE 104 3HD1 ILE 104 -6.140 4.695 -7.973 735 H SER 105 HN SER 105 -6.281 5.770 -10.474 736 HA SER 105 HA SER 105 -7.423 3.351 -9.856 737 1HB SER 105 2HB SER 105 -9.156 3.005 -11.440 738 2HB SER 105 3HB SER 105 -9.498 4.584 -10.762 739 HG SER 105 HG SER 105 -9.191 5.495 -12.679 740 H LEU 106 HN LEU 106 -7.274 1.856 -12.093 741 HA LEU 106 HA LEU 106 -4.623 2.522 -13.127 742 1HB LEU 106 2HB LEU 106 -6.072 -0.116 -13.303 743 2HB LEU 106 3HB LEU 106 -4.373 0.203 -13.594 744 HG LEU 106 HG LEU 106 -4.247 0.901 -11.121 745 1HD1 LEU 106 1HD1 LEU 106 -6.053 -0.540 -9.827 746 2HD1 LEU 106 2HD1 LEU 106 -6.362 1.149 -10.298 747 3HD1 LEU 106 3HD1 LEU 106 -7.025 -0.184 -11.274 748 1HD2 LEU 106 1HD2 LEU 106 -4.869 -1.993 -11.189 749 2HD2 LEU 106 2HD2 LEU 106 -3.691 -1.415 -12.391 750 3HD2 LEU 106 3HD2 LEU 106 -3.402 -1.137 -10.657 751 H SER 107 HN SER 107 -6.498 4.177 -14.199 752 HA SER 107 HA SER 107 -7.215 2.902 -16.713 753 1HB SER 107 2HB SER 107 -8.804 4.360 -15.054 754 2HB SER 107 3HB SER 107 -8.186 5.659 -16.054 755 HG SER 107 HG SER 107 -10.234 4.298 -16.700 756 H GLY 108 HN GLY 108 -4.649 3.176 -16.915 757 1HA GLY 108 1HA GLY 108 -2.909 4.205 -17.898 758 2HA GLY 108 2HA GLY 108 -4.103 4.980 -18.921 759 H ASP 109 HN ASP 109 -4.963 7.094 -18.338 760 HA ASP 109 HA ASP 109 -3.078 8.818 -17.407 761 1HB ASP 109 2HB ASP 109 -5.732 8.946 -18.384 762 2HB ASP 109 3HB ASP 109 -5.807 9.745 -16.826 763 H HIS 110 HN HIS 110 -5.649 6.982 -15.714 764 HA HIS 110 HA HIS 110 -5.222 8.407 -13.250 765 1HB HIS 110 2HB HIS 110 -7.086 6.274 -14.222 766 2HB HIS 110 3HB HIS 110 -6.825 6.431 -12.497 767 HD1 HIS 110 HD1 HIS 110 -7.493 8.959 -15.322 768 HD2 HIS 110 HD2 HIS 110 -8.755 8.020 -11.433 769 HE1 HIS 110 HE1 HIS 110 -9.283 10.674 -14.718 770 H SER 111 HN SER 111 -3.819 5.766 -14.977 771 HA SER 111 HA SER 111 -3.197 3.858 -13.325 772 1HB SER 111 2HB SER 111 -1.049 3.620 -14.433 773 2HB SER 111 3HB SER 111 -2.206 4.223 -15.603 774 HG SER 111 HG SER 111 -0.208 5.761 -14.180 775 H ILE 112 HN ILE 112 -2.594 3.724 -11.198 776 HA ILE 112 HA ILE 112 -1.361 6.037 -9.976 777 HB ILE 112 HB ILE 112 -1.742 4.815 -7.888 778 1HG1 ILE 112 2HG1 ILE 112 -1.663 2.532 -9.421 779 2HG1 ILE 112 3HG1 ILE 112 -2.176 2.629 -7.748 780 1HG2 ILE 112 1HG2 ILE 112 -4.190 4.883 -9.673 781 2HG2 ILE 112 2HG2 ILE 112 -4.160 4.955 -7.894 782 3HG2 ILE 112 3HG2 ILE 112 -3.471 6.289 -8.851 783 1HD1 ILE 112 1HD1 ILE 112 -4.010 2.891 -10.176 784 2HD1 ILE 112 2HD1 ILE 112 -3.875 1.465 -9.120 785 3HD1 ILE 112 3HD1 ILE 112 -4.531 2.990 -8.477 786 H ILE 113 HN ILE 113 -0.378 3.185 -11.592 787 HA ILE 113 HA ILE 113 1.671 2.135 -10.227 788 HB ILE 113 HB ILE 113 1.619 2.898 -13.149 789 1HG1 ILE 113 2HG1 ILE 113 -0.290 1.570 -12.666 790 2HG1 ILE 113 3HG1 ILE 113 0.885 0.514 -13.424 791 1HG2 ILE 113 1HG2 ILE 113 3.900 2.390 -12.355 792 2HG2 ILE 113 2HG2 ILE 113 3.325 0.815 -11.759 793 3HG2 ILE 113 3HG2 ILE 113 3.284 1.176 -13.501 794 1HD1 ILE 113 1HD1 ILE 113 1.616 0.120 -10.848 795 2HD1 ILE 113 2HD1 ILE 113 -0.092 0.549 -10.590 796 3HD1 ILE 113 3HD1 ILE 113 0.332 -0.832 -11.630 797 H GLY 114 HN GLY 114 3.249 3.018 -9.015 798 1HA GLY 114 1HA GLY 114 5.379 4.182 -9.190 799 2HA GLY 114 2HA GLY 114 4.557 5.455 -10.071 800 H ARG 115 HN ARG 115 2.785 3.920 -7.444 801 HA ARG 115 HA ARG 115 2.814 6.417 -6.065 802 1HB ARG 115 2HB ARG 115 0.957 4.338 -6.374 803 2HB ARG 115 3HB ARG 115 1.485 4.137 -4.715 804 1HG ARG 115 2HG ARG 115 -0.113 5.726 -4.279 805 2HG ARG 115 3HG ARG 115 1.151 6.847 -4.744 806 1HD ARG 115 2HD ARG 115 -0.130 5.918 -7.161 807 2HD ARG 115 3HD ARG 115 -1.389 6.386 -6.036 808 HE ARG 115 HE ARG 115 0.589 8.159 -7.287 809 1HH1 ARG 115 2HH2 ARG 115 -1.700 7.777 -4.642 810 2HH1 ARG 115 1HH2 ARG 115 -1.875 9.480 -4.378 811 1HH2 ARG 115 2HH1 ARG 115 0.359 10.406 -6.939 812 2HH2 ARG 115 1HH1 ARG 115 -0.696 10.985 -5.694 813 H THR 116 HN THR 116 4.573 6.838 -4.749 814 HA THR 116 HA THR 116 5.874 4.606 -3.403 815 HB THR 116 HB THR 116 6.648 7.555 -3.348 816 HG1 THR 116 1HG THR 116 7.376 5.477 -5.277 817 1HG2 THR 116 1HG2 THR 116 7.952 4.910 -2.815 818 2HG2 THR 116 2HG2 THR 116 8.913 6.060 -3.777 819 3HG2 THR 116 3HG2 THR 116 8.343 6.516 -2.153 820 H LEU 117 HN LEU 117 4.165 4.029 -1.942 821 HA LEU 117 HA LEU 117 3.157 5.963 -0.128 822 1HB LEU 117 2HB LEU 117 3.059 2.958 -0.277 823 2HB LEU 117 3HB LEU 117 2.363 3.846 1.064 824 HG LEU 117 HG LEU 117 0.716 3.201 -0.669 825 1HD1 LEU 117 1HD1 LEU 117 0.461 5.208 0.843 826 2HD1 LEU 117 2HD1 LEU 117 0.983 6.210 -0.532 827 3HD1 LEU 117 3HD1 LEU 117 -0.502 5.236 -0.654 828 1HD2 LEU 117 1HD2 LEU 117 2.184 5.163 -2.453 829 2HD2 LEU 117 2HD2 LEU 117 2.192 3.392 -2.629 830 3HD2 LEU 117 3HD2 LEU 117 0.675 4.300 -2.834 831 H VAL 118 HN VAL 118 5.246 6.950 0.511 832 HA VAL 118 HA VAL 118 7.159 5.423 1.909 833 HB VAL 118 HB VAL 118 6.697 8.373 2.257 834 1HG1 VAL 118 1HG1 VAL 118 8.857 8.466 2.925 835 2HG1 VAL 118 2HG1 VAL 118 8.622 6.733 3.258 836 3HG1 VAL 118 3HG1 VAL 118 9.390 7.251 1.738 837 1HG2 VAL 118 1HG2 VAL 118 8.422 8.128 0.087 838 2HG2 VAL 118 2HG2 VAL 118 7.129 6.953 -0.259 839 3HG2 VAL 118 3HG2 VAL 118 6.724 8.661 0.037 840 H VAL 119 HN VAL 119 7.441 5.029 4.110 841 HA VAL 119 HA VAL 119 5.054 5.552 5.715 842 HB VAL 119 HB VAL 119 5.609 3.681 6.964 843 1HG1 VAL 119 1HG1 VAL 119 6.831 2.449 4.601 844 2HG1 VAL 119 2HG1 VAL 119 5.271 2.118 5.391 845 3HG1 VAL 119 3HG1 VAL 119 5.408 3.446 4.214 846 1HG2 VAL 119 1HG2 VAL 119 7.783 3.864 7.688 847 2HG2 VAL 119 2HG2 VAL 119 7.964 2.555 6.496 848 3HG2 VAL 119 3HG2 VAL 119 8.415 4.221 6.063 849 H HIS 120 HN HIS 120 5.099 6.872 7.499 850 HA HIS 120 HA HIS 120 7.576 8.324 7.888 851 1HB HIS 120 2HB HIS 120 4.722 8.780 8.770 852 2HB HIS 120 3HB HIS 120 6.054 9.741 9.381 853 HD1 HIS 120 HD1 HIS 120 7.567 9.767 6.484 854 HD2 HIS 120 HD2 HIS 120 3.626 10.932 7.327 855 HE1 HIS 120 HE1 HIS 120 6.886 11.381 4.629 856 H GLU 121 HN GLU 121 8.744 8.372 9.834 857 HA GLU 121 HA GLU 121 8.919 6.100 11.255 858 1HB GLU 121 2HB GLU 121 10.457 8.181 11.220 859 2HB GLU 121 3HB GLU 121 9.446 8.825 12.498 860 1HG GLU 121 2HG GLU 121 10.225 7.324 14.072 861 2HG GLU 121 3HG GLU 121 10.362 6.014 12.916 862 H LYS 122 HN LYS 122 6.514 8.651 11.560 863 HA LYS 122 HA LYS 122 5.190 7.073 13.604 864 1HB LYS 122 2HB LYS 122 6.693 9.324 14.328 865 2HB LYS 122 3HB LYS 122 5.039 9.900 14.284 866 1HG LYS 122 2HG LYS 122 4.344 7.955 15.724 867 2HG LYS 122 3HG LYS 122 6.015 7.432 15.799 868 1HD LYS 122 2HD LYS 122 6.682 9.278 17.116 869 2HD LYS 122 3HD LYS 122 5.340 10.274 16.590 870 1HE LYS 122 2HE LYS 122 4.384 9.706 18.588 871 2HE LYS 122 3HE LYS 122 3.990 8.190 17.802 872 1HZ LYS 122 1HZ LYS 122 6.263 7.460 18.566 873 2HZ LYS 122 2HZ LYS 122 6.264 8.764 19.549 874 3HZ LYS 122 3HZ LYS 122 5.117 7.613 19.720 875 H ALA 123 HN ALA 123 3.013 8.699 14.099 876 HA ALA 123 HA ALA 123 1.931 9.036 11.387 877 1HB ALA 123 1HB ALA 123 -0.109 8.187 12.159 878 2HB ALA 123 2HB ALA 123 1.073 7.197 13.049 879 3HB ALA 123 3HB ALA 123 0.264 8.559 13.859 880 H ASP 124 HN ASP 124 -0.432 10.411 12.129 881 HA ASP 124 HA ASP 124 0.776 12.944 12.849 882 1HB ASP 124 2HB ASP 124 -0.408 13.100 10.784 883 2HB ASP 124 3HB ASP 124 -1.736 12.115 11.365 884 H ASP 125 HN ASP 125 -0.582 10.416 14.430 885 HA ASP 125 HA ASP 125 -1.809 10.084 16.194 886 1HB ASP 125 2HB ASP 125 -0.243 12.499 16.681 887 2HB ASP 125 3HB ASP 125 -1.744 12.580 17.583 888 H LEU 126 HN LEU 126 -3.075 11.478 13.776 889 HA LEU 126 HA LEU 126 -5.004 12.359 13.167 890 1HB LEU 126 2HB LEU 126 -5.679 11.200 15.838 891 2HB LEU 126 3HB LEU 126 -6.873 12.183 15.014 892 HG LEU 126 HG LEU 126 -5.561 9.916 13.542 893 1HD1 LEU 126 1HD1 LEU 126 -7.215 9.646 15.929 894 2HD1 LEU 126 2HD1 LEU 126 -7.920 8.835 14.510 895 3HD1 LEU 126 3HD1 LEU 126 -6.270 8.428 15.039 896 1HD2 LEU 126 1HD2 LEU 126 -7.060 11.615 12.426 897 2HD2 LEU 126 2HD2 LEU 126 -7.537 9.911 12.232 898 3HD2 LEU 126 3HD2 LEU 126 -8.399 10.949 13.393 899 H GLY 127 HN GLY 127 -2.863 13.898 14.856 900 1HA GLY 127 1HA GLY 127 -3.917 16.439 14.569 901 2HA GLY 127 2HA GLY 127 -4.272 15.957 16.217 902 H LYS 128 HN LYS 128 -2.044 14.371 16.895 903 HA LYS 128 HA LYS 128 -0.059 14.660 17.839 904 1HB LYS 128 2HB LYS 128 0.236 14.599 15.077 905 2HB LYS 128 3HB LYS 128 1.229 15.961 15.553 906 1HG LYS 128 2HG LYS 128 1.837 14.050 17.504 907 2HG LYS 128 3HG LYS 128 1.630 13.074 16.063 908 1HD LYS 128 2HD LYS 128 3.250 14.516 14.834 909 2HD LYS 128 3HD LYS 128 3.434 15.534 16.249 910 1HE LYS 128 2HE LYS 128 3.868 12.641 16.790 911 2HE LYS 128 3HE LYS 128 5.014 13.327 15.656 912 1HZ LYS 128 1HZ LYS 128 4.417 14.365 18.339 913 2HZ LYS 128 2HZ LYS 128 5.789 13.612 17.873 914 3HZ LYS 128 3HZ LYS 128 5.423 15.087 17.275 915 H GLY 129 HN GLY 129 -2.083 16.923 17.972 916 1HA GLY 129 1HA GLY 129 -2.171 19.142 18.480 917 2HA GLY 129 2HA GLY 129 -0.956 18.650 19.643 918 H GLY 130 HN GLY 130 -0.763 18.914 16.029 919 1HA GLY 130 1HA GLY 130 1.247 21.048 16.378 920 2HA GLY 130 2HA GLY 130 1.578 19.645 15.382 921 H ASN 131 HN ASN 131 1.588 22.317 14.362 922 HA ASN 131 HA ASN 131 -0.625 22.051 12.504 923 1HB ASN 131 2HB ASN 131 0.297 24.672 13.798 924 2HB ASN 131 3HB ASN 131 -0.889 24.562 12.512 925 1HD2 ASN 131 1HD2 ASN 131 -2.941 23.901 12.914 926 2HD2 ASN 131 2HD2 ASN 131 -3.594 23.625 14.494 927 H GLU 132 HN GLU 132 0.062 22.414 10.344 928 HA GLU 132 HA GLU 132 1.334 22.945 8.657 929 1HB GLU 132 2HB GLU 132 1.817 25.066 10.291 930 2HB GLU 132 3HB GLU 132 3.439 24.409 10.205 931 1HG GLU 132 2HG GLU 132 2.475 24.316 7.537 932 2HG GLU 132 3HG GLU 132 1.922 25.858 8.160 933 H GLN 133 HN GLN 133 2.013 20.894 11.046 934 HA GLN 133 HA GLN 133 4.450 20.009 9.727 935 1HB GLN 133 2HB GLN 133 4.183 20.859 12.485 936 2HB GLN 133 3HB GLN 133 4.568 19.150 12.453 937 1HG GLN 133 2HG GLN 133 6.110 21.119 10.725 938 2HG GLN 133 3HG GLN 133 6.537 20.883 12.408 939 1HE2 GLN 133 1HE2 GLN 133 8.459 19.910 12.136 940 2HE2 GLN 133 2HE2 GLN 133 8.700 18.353 11.416 941 H SER 134 HN SER 134 2.156 18.932 12.347 942 HA SER 134 HA SER 134 2.236 16.292 11.256 943 1HB SER 134 2HB SER 134 0.862 15.686 13.198 944 2HB SER 134 3HB SER 134 2.216 16.674 13.709 945 HG SER 134 HG SER 134 -0.305 17.907 13.083 946 H THR 135 HN THR 135 0.263 19.184 11.042 947 HA THR 135 HA THR 135 -2.193 17.946 10.372 948 HB THR 135 HB THR 135 -2.471 20.393 9.356 949 HG1 THR 135 1HG THR 135 -0.076 20.639 9.361 950 1HG2 THR 135 1HG2 THR 135 -1.934 19.725 12.285 951 2HG2 THR 135 2HG2 THR 135 -2.377 21.371 11.772 952 3HG2 THR 135 3HG2 THR 135 -3.504 20.020 11.498 953 H LYS 136 HN LYS 136 0.810 18.207 8.695 954 HA LYS 136 HA LYS 136 -0.589 17.735 6.158 955 1HB LYS 136 2HB LYS 136 1.448 18.493 5.056 956 2HB LYS 136 3HB LYS 136 0.833 19.720 6.145 957 1HG LYS 136 2HG LYS 136 2.464 18.940 7.903 958 2HG LYS 136 3HG LYS 136 3.107 17.776 6.763 959 1HD LYS 136 2HD LYS 136 3.432 19.873 5.183 960 2HD LYS 136 3HD LYS 136 3.271 20.803 6.660 961 1HE LYS 136 2HE LYS 136 5.368 20.246 7.357 962 2HE LYS 136 3HE LYS 136 5.100 18.542 7.049 963 1HZ LYS 136 1HZ LYS 136 5.502 19.005 4.697 964 2HZ LYS 136 2HZ LYS 136 5.851 20.560 5.051 965 3HZ LYS 136 3HZ LYS 136 6.797 19.360 5.625 966 H THR 137 HN THR 137 2.114 16.659 8.302 967 HA THR 137 HA THR 137 1.943 14.045 6.948 968 HB THR 137 HB THR 137 4.409 13.887 7.669 969 HG1 THR 137 1HG THR 137 5.223 16.172 8.087 970 1HG2 THR 137 1HG2 THR 137 5.156 15.823 6.035 971 2HG2 THR 137 2HG2 THR 137 4.230 14.459 5.363 972 3HG2 THR 137 3HG2 THR 137 3.413 16.000 5.719 973 H GLY 138 HN GLY 138 3.589 15.072 9.978 974 1HA GLY 138 1HA GLY 138 1.799 14.390 11.882 975 2HA GLY 138 2HA GLY 138 2.399 12.830 11.356 976 H ASN 139 HN ASN 139 4.152 15.994 11.537 977 HA ASN 139 HA ASN 139 6.139 16.428 12.355 978 1HB ASN 139 2HB ASN 139 4.278 16.177 14.413 979 2HB ASN 139 3HB ASN 139 5.578 15.156 14.997 980 1HD2 ASN 139 1HD2 ASN 139 5.323 17.043 16.601 981 2HD2 ASN 139 2HD2 ASN 139 6.406 18.379 16.397 982 H ALA 140 HN ALA 140 5.979 13.774 11.063 983 HA ALA 140 HA ALA 140 8.324 12.601 12.251 984 1HB ALA 140 1HB ALA 140 7.420 10.681 13.072 985 2HB ALA 140 2HB ALA 140 5.934 11.654 13.189 986 3HB ALA 140 3HB ALA 140 6.193 10.589 11.786 987 H GLY 141 HN GLY 141 7.345 14.036 9.761 988 1HA GLY 141 1HA GLY 141 7.285 12.023 7.698 989 2HA GLY 141 2HA GLY 141 7.300 13.765 7.502 990 H SER 142 HN SER 142 9.353 10.900 8.235 991 HA SER 142 HA SER 142 11.643 12.513 7.430 992 1HB SER 142 2HB SER 142 11.563 11.377 9.763 993 2HB SER 142 3HB SER 142 11.767 9.859 8.910 994 HG SER 142 HG SER 142 13.609 11.978 9.308 995 H ARG 143 HN ARG 143 9.465 10.007 6.519 996 HA ARG 143 HA ARG 143 9.360 8.640 4.851 997 1HB ARG 143 2HB ARG 143 11.684 10.307 3.770 998 2HB ARG 143 3HB ARG 143 10.893 9.061 2.824 999 1HG ARG 143 2HG ARG 143 9.107 10.399 2.368 1000 2HG ARG 143 3HG ARG 143 8.919 10.854 4.050 1001 1HD ARG 143 2HD ARG 143 11.113 12.042 2.296 1002 2HD ARG 143 3HD ARG 143 9.512 12.749 2.383 1003 HE ARG 143 HE ARG 143 10.172 12.522 5.039 1004 1HH1 ARG 143 2HH2 ARG 143 11.886 13.868 2.277 1005 2HH1 ARG 143 1HH2 ARG 143 12.747 15.039 3.219 1006 1HH2 ARG 143 2HH1 ARG 143 11.307 14.067 6.283 1007 2HH2 ARG 143 1HH1 ARG 143 12.416 15.152 5.514 1008 H LEU 144 HN LEU 144 10.020 6.492 4.557 1009 HA LEU 144 HA LEU 144 12.721 5.716 4.526 1010 1HB LEU 144 2HB LEU 144 12.581 4.360 6.681 1011 2HB LEU 144 3HB LEU 144 12.950 6.070 6.787 1012 HG LEU 144 HG LEU 144 10.094 5.674 6.988 1013 1HD1 LEU 144 1HD1 LEU 144 11.780 4.091 8.946 1014 2HD1 LEU 144 2HD1 LEU 144 10.050 4.465 9.140 1015 3HD1 LEU 144 3HD1 LEU 144 10.594 3.444 7.787 1016 1HD2 LEU 144 1HD2 LEU 144 10.705 7.640 7.919 1017 2HD2 LEU 144 2HD2 LEU 144 10.829 6.643 9.388 1018 3HD2 LEU 144 3HD2 LEU 144 12.291 7.029 8.449 1019 H ALA 145 HN ALA 145 11.035 5.209 2.613 1020 HA ALA 145 HA ALA 145 10.926 2.537 2.291 1021 1HB ALA 145 1HB ALA 145 9.440 1.924 3.926 1022 2HB ALA 145 2HB ALA 145 8.660 3.523 3.969 1023 3HB ALA 145 3HB ALA 145 8.257 2.371 2.673 1024 H CYS 146 HN CYS 146 9.930 1.961 0.262 1025 HA CYS 146 HA CYS 146 8.393 3.980 -1.080 1026 1HB CYS 146 2HB CYS 146 10.999 3.164 -2.359 1027 2HB CYS 146 3HB CYS 146 9.857 4.377 -2.902 1028 H GLY 147 HN GLY 147 7.251 1.733 -0.418 1029 1HA GLY 147 1HA GLY 147 7.723 -0.678 -1.545 1030 2HA GLY 147 2HA GLY 147 6.121 -0.009 -1.309 1031 H VAL 148 HN VAL 148 5.927 2.069 -3.119 1032 HA VAL 148 HA VAL 148 5.549 2.546 -5.243 1033 HB VAL 148 HB VAL 148 8.033 0.911 -5.410 1034 1HG1 VAL 148 1HG1 VAL 148 6.378 1.715 -7.823 1035 2HG1 VAL 148 2HG1 VAL 148 8.094 1.248 -7.892 1036 3HG1 VAL 148 3HG1 VAL 148 6.873 0.073 -7.347 1037 1HG2 VAL 148 1HG2 VAL 148 7.248 3.728 -6.221 1038 2HG2 VAL 148 2HG2 VAL 148 8.253 3.237 -4.836 1039 3HG2 VAL 148 3HG2 VAL 148 8.856 3.017 -6.496 1040 H ILE 149 HN ILE 149 3.751 1.939 -6.333 1041 HA ILE 149 HA ILE 149 2.875 -0.781 -6.087 1042 HB ILE 149 HB ILE 149 1.732 1.793 -7.075 1043 1HG1 ILE 149 2HG1 ILE 149 -0.103 1.077 -5.502 1044 2HG1 ILE 149 3HG1 ILE 149 0.886 -0.299 -5.052 1045 1HG2 ILE 149 1HG2 ILE 149 1.063 -0.867 -8.131 1046 2HG2 ILE 149 2HG2 ILE 149 -0.329 0.043 -7.497 1047 3HG2 ILE 149 3HG2 ILE 149 0.696 0.755 -8.767 1048 1HD1 ILE 149 1HD1 ILE 149 0.992 2.131 -3.792 1049 2HD1 ILE 149 2HD1 ILE 149 2.346 0.976 -3.823 1050 3HD1 ILE 149 3HD1 ILE 149 2.300 2.325 -4.983 1051 H GLY 150 HN GLY 150 3.055 -2.399 -7.566 1052 1HA GLY 150 1HA GLY 150 3.906 -1.644 -10.292 1053 2HA GLY 150 2HA GLY 150 4.745 -2.886 -9.384 1054 H ILE 151 HN ILE 151 3.282 -3.166 -11.946 1055 HA ILE 151 HA ILE 151 0.785 -4.393 -11.425 1056 HB ILE 151 HB ILE 151 2.637 -4.414 -13.806 1057 1HG1 ILE 151 2HG1 ILE 151 1.731 -2.219 -13.274 1058 2HG1 ILE 151 3HG1 ILE 151 1.031 -2.836 -14.758 1059 1HG2 ILE 151 1HG2 ILE 151 0.236 -5.076 -14.846 1060 2HG2 ILE 151 2HG2 ILE 151 1.485 -6.261 -14.394 1061 3HG2 ILE 151 3HG2 ILE 151 0.140 -5.917 -13.280 1062 1HD1 ILE 151 1HD1 ILE 151 -0.792 -1.919 -13.483 1063 2HD1 ILE 151 2HD1 ILE 151 -0.940 -3.688 -13.349 1064 3HD1 ILE 151 3HD1 ILE 151 -0.259 -2.747 -12.000 1065 H ALA 152 HN ALA 152 0.259 -6.491 -10.946 1066 HA ALA 152 HA ALA 152 2.505 -8.219 -10.304 1067 1HB ALA 152 1HB ALA 152 0.377 -7.646 -8.849 1068 2HB ALA 152 2HB ALA 152 -0.393 -8.903 -9.846 1069 3HB ALA 152 3HB ALA 152 1.034 -9.300 -8.860 1070 H GLN 153 HN GLN 153 1.930 -10.705 -10.757 1071 HA GLN 153 HA GLN 153 0.825 -10.873 -13.441 1072 1HB GLN 153 2HB GLN 153 2.680 -12.347 -14.146 1073 2HB GLN 153 3HB GLN 153 3.275 -10.764 -13.687 1074 1HG GLN 153 2HG GLN 153 4.770 -12.018 -12.457 1075 2HG GLN 153 3HG GLN 153 3.482 -11.967 -11.269 1076 1HE2 GLN 153 1HE2 GLN 153 4.439 -13.915 -10.460 1077 2HE2 GLN 153 2HE2 GLN 153 4.050 -15.453 -11.157 Start of MODEL 4 1 1H ALA 1 HN ALA 1 -9.019 -4.847 -11.037 2 HA ALA 1 HA ALA 1 -9.461 -7.211 -12.722 3 1HB ALA 1 1HB ALA 1 -8.245 -4.887 -14.014 4 2HB ALA 1 2HB ALA 1 -9.725 -5.779 -14.441 5 3HB ALA 1 3HB ALA 1 -9.790 -4.475 -13.232 6 H THR 2 HN THR 2 -6.904 -4.662 -12.266 7 HA THR 2 HA THR 2 -4.917 -6.809 -12.516 8 HB THR 2 HB THR 2 -4.699 -3.768 -12.833 9 HG1 THR 2 1HG THR 2 -4.759 -6.076 -14.650 10 1HG2 THR 2 1HG2 THR 2 -2.534 -4.223 -13.853 11 2HG2 THR 2 2HG2 THR 2 -2.530 -5.031 -12.267 12 3HG2 THR 2 3HG2 THR 2 -2.795 -5.981 -13.750 13 H LYS 3 HN LYS 3 -4.199 -7.654 -10.669 14 HA LYS 3 HA LYS 3 -4.349 -6.038 -8.270 15 1HB LYS 3 2HB LYS 3 -5.179 -8.263 -8.060 16 2HB LYS 3 3HB LYS 3 -3.754 -8.954 -8.809 17 1HG LYS 3 2HG LYS 3 -2.709 -7.456 -6.668 18 2HG LYS 3 3HG LYS 3 -4.182 -8.138 -6.009 19 1HD LYS 3 2HD LYS 3 -3.482 -10.400 -6.521 20 2HD LYS 3 3HD LYS 3 -2.165 -9.840 -7.532 21 1HE LYS 3 2HE LYS 3 -0.833 -9.206 -5.699 22 2HE LYS 3 3HE LYS 3 -2.209 -8.956 -4.644 23 1HZ LYS 3 1HZ LYS 3 -0.675 -11.167 -4.730 24 2HZ LYS 3 2HZ LYS 3 -2.141 -11.061 -4.019 25 3HZ LYS 3 3HZ LYS 3 -2.011 -11.639 -5.541 26 H ALA 4 HN ALA 4 -2.734 -4.625 -7.875 27 HA ALA 4 HA ALA 4 -0.086 -5.248 -8.913 28 1HB ALA 4 1HB ALA 4 -1.656 -2.851 -8.284 29 2HB ALA 4 2HB ALA 4 -0.003 -2.776 -7.628 30 3HB ALA 4 3HB ALA 4 -0.258 -3.045 -9.369 31 H VAL 5 HN VAL 5 1.804 -4.651 -7.373 32 HA VAL 5 HA VAL 5 1.166 -5.208 -4.593 33 HB VAL 5 HB VAL 5 3.286 -6.841 -4.868 34 1HG1 VAL 5 1HG1 VAL 5 0.473 -7.097 -4.422 35 2HG1 VAL 5 2HG1 VAL 5 1.002 -8.456 -5.442 36 3HG1 VAL 5 3HG1 VAL 5 1.790 -8.161 -3.874 37 1HG2 VAL 5 1HG2 VAL 5 2.817 -6.373 -7.491 38 2HG2 VAL 5 2HG2 VAL 5 3.500 -7.893 -6.867 39 3HG2 VAL 5 3HG2 VAL 5 1.763 -7.785 -7.237 40 H ALA 6 HN ALA 6 2.648 -4.272 -3.156 41 HA ALA 6 HA ALA 6 4.965 -2.972 -4.389 42 1HB ALA 6 1HB ALA 6 4.206 -0.898 -3.946 43 2HB ALA 6 2HB ALA 6 2.611 -1.634 -3.653 44 3HB ALA 6 3HB ALA 6 3.727 -1.356 -2.294 45 H VAL 7 HN VAL 7 6.618 -4.087 -3.444 46 HA VAL 7 HA VAL 7 6.323 -5.016 -0.730 47 HB VAL 7 HB VAL 7 7.328 -6.422 -2.440 48 1HG1 VAL 7 1HG1 VAL 7 9.918 -5.240 -2.721 49 2HG1 VAL 7 2HG1 VAL 7 8.718 -5.613 -3.982 50 3HG1 VAL 7 3HG1 VAL 7 8.696 -4.028 -3.174 51 1HG2 VAL 7 1HG2 VAL 7 9.738 -5.901 -0.815 52 2HG2 VAL 7 2HG2 VAL 7 8.231 -6.069 0.119 53 3HG2 VAL 7 3HG2 VAL 7 8.752 -7.375 -0.973 54 H LEU 8 HN LEU 8 6.300 -3.284 0.693 55 HA LEU 8 HA LEU 8 7.590 -0.926 0.499 56 1HB LEU 8 2HB LEU 8 6.871 -2.651 2.844 57 2HB LEU 8 3HB LEU 8 7.713 -1.135 3.091 58 HG LEU 8 HG LEU 8 5.080 -1.296 3.182 59 1HD1 LEU 8 1HD1 LEU 8 6.719 0.948 1.996 60 2HD1 LEU 8 2HD1 LEU 8 4.991 1.115 2.390 61 3HD1 LEU 8 3HD1 LEU 8 6.165 0.740 3.675 62 1HD2 LEU 8 1HD2 LEU 8 4.704 -2.238 1.003 63 2HD2 LEU 8 2HD2 LEU 8 4.062 -0.578 1.028 64 3HD2 LEU 8 3HD2 LEU 8 5.613 -0.921 0.224 65 H LYS 9 HN LYS 9 9.626 -0.049 1.077 66 HA LYS 9 HA LYS 9 11.679 -1.682 2.131 67 1HB LYS 9 2HB LYS 9 11.428 -2.544 -0.266 68 2HB LYS 9 3HB LYS 9 12.048 -0.991 -0.790 69 1HG LYS 9 2HG LYS 9 14.162 -1.335 0.254 70 2HG LYS 9 3HG LYS 9 13.542 -2.581 1.320 71 1HD LYS 9 2HD LYS 9 13.597 -4.235 -0.336 72 2HD LYS 9 3HD LYS 9 13.372 -3.090 -1.644 73 1HE LYS 9 2HE LYS 9 15.741 -2.193 -1.056 74 2HE LYS 9 3HE LYS 9 15.922 -3.626 -0.064 75 1HZ LYS 9 1HZ LYS 9 16.010 -3.390 -2.880 76 2HZ LYS 9 2HZ LYS 9 16.530 -4.610 -1.928 77 3HZ LYS 9 3HZ LYS 9 14.973 -4.563 -2.416 78 H GLY 10 HN GLY 10 12.748 -0.255 3.380 79 1HA GLY 10 1HA GLY 10 13.555 2.298 2.241 80 2HA GLY 10 2HA GLY 10 12.439 2.380 3.589 81 H ASP 11 HN ASP 11 13.232 2.252 5.666 82 HA ASP 11 HA ASP 11 15.745 2.637 6.301 83 1HB ASP 11 2HB ASP 11 14.010 2.622 7.997 84 2HB ASP 11 3HB ASP 11 13.688 0.918 7.748 85 H GLY 12 HN GLY 12 14.188 -0.669 6.297 86 1HA GLY 12 1HA GLY 12 16.072 -2.059 4.895 87 2HA GLY 12 2HA GLY 12 16.709 -2.024 6.528 88 HA PRO 13 HA PRO 13 13.699 -4.892 7.852 89 1HB PRO 13 2HB PRO 13 12.370 -3.863 10.006 90 2HB PRO 13 3HB PRO 13 13.991 -4.520 10.105 91 1HG PRO 13 2HG PRO 13 13.134 -1.691 10.135 92 2HG PRO 13 3HG PRO 13 14.660 -2.381 10.650 93 1HD PRO 13 2HD PRO 13 14.156 -0.958 8.211 94 2HD PRO 13 3HD PRO 13 15.650 -1.748 8.674 95 H VAL 14 HN VAL 14 12.333 -1.812 7.136 96 HA VAL 14 HA VAL 14 9.652 -2.675 7.091 97 HB VAL 14 HB VAL 14 11.170 -0.369 5.887 98 1HG1 VAL 14 1HG1 VAL 14 8.201 -0.959 5.667 99 2HG1 VAL 14 2HG1 VAL 14 8.938 0.629 5.344 100 3HG1 VAL 14 3HG1 VAL 14 9.370 -0.774 4.338 101 1HG2 VAL 14 1HG2 VAL 14 9.664 0.880 7.540 102 2HG2 VAL 14 2HG2 VAL 14 9.287 -0.717 8.228 103 3HG2 VAL 14 3HG2 VAL 14 10.964 -0.123 8.226 104 H GLN 15 HN GLN 15 9.537 -4.689 5.998 105 HA GLN 15 HA GLN 15 10.094 -4.453 3.143 106 1HB GLN 15 2HB GLN 15 11.479 -6.136 4.508 107 2HB GLN 15 3HB GLN 15 10.001 -7.051 4.726 108 1HG GLN 15 2HG GLN 15 10.449 -6.276 1.908 109 2HG GLN 15 3HG GLN 15 11.752 -7.256 2.550 110 1HE2 GLN 15 1HE2 GLN 15 10.901 -9.105 4.029 111 2HE2 GLN 15 2HE2 GLN 15 9.641 -10.086 3.359 112 H GLY 16 HN GLY 16 7.654 -3.571 4.535 113 1HA GLY 16 1HA GLY 16 5.553 -5.293 4.639 114 2HA GLY 16 2HA GLY 16 5.441 -3.628 4.106 115 H ILE 17 HN ILE 17 3.730 -5.643 3.078 116 HA ILE 17 HA ILE 17 4.557 -5.559 0.286 117 HB ILE 17 HB ILE 17 3.857 -8.042 1.833 118 1HG1 ILE 17 2HG1 ILE 17 6.049 -7.729 -0.204 119 2HG1 ILE 17 3HG1 ILE 17 6.272 -7.116 1.422 120 1HG2 ILE 17 1HG2 ILE 17 3.803 -7.722 -1.181 121 2HG2 ILE 17 2HG2 ILE 17 3.592 -9.236 -0.269 122 3HG2 ILE 17 3HG2 ILE 17 2.382 -7.937 -0.131 123 1HD1 ILE 17 1HD1 ILE 17 7.026 -9.553 0.958 124 2HD1 ILE 17 2HD1 ILE 17 6.030 -9.277 2.407 125 3HD1 ILE 17 3HD1 ILE 17 5.291 -9.953 0.935 126 H ILE 18 HN ILE 18 3.030 -4.139 -0.430 127 HA ILE 18 HA ILE 18 0.302 -4.508 0.536 128 HB ILE 18 HB ILE 18 -0.109 -2.320 -0.052 129 1HG1 ILE 18 2HG1 ILE 18 1.862 -1.144 -1.494 130 2HG1 ILE 18 3HG1 ILE 18 1.948 -2.768 -2.145 131 1HG2 ILE 18 1HG2 ILE 18 2.762 -2.568 0.849 132 2HG2 ILE 18 2HG2 ILE 18 1.930 -1.001 0.713 133 3HG2 ILE 18 3HG2 ILE 18 1.309 -2.244 1.825 134 1HD1 ILE 18 1HD1 ILE 18 -0.810 -1.659 -1.819 135 2HD1 ILE 18 2HD1 ILE 18 0.206 -0.888 -3.061 136 3HD1 ILE 18 3HD1 ILE 18 -0.125 -2.636 -3.140 137 H ASN 19 HN ASN 19 -1.486 -4.333 -1.127 138 HA ASN 19 HA ASN 19 -0.629 -5.322 -3.710 139 1HB ASN 19 2HB ASN 19 -3.090 -6.635 -2.667 140 2HB ASN 19 3HB ASN 19 -1.757 -7.337 -3.563 141 1HD2 ASN 19 1HD2 ASN 19 -0.263 -8.484 -2.548 142 2HD2 ASN 19 2HD2 ASN 19 -0.099 -8.668 -0.834 143 H PHE 20 HN PHE 20 -1.661 -4.015 -5.227 144 HA PHE 20 HA PHE 20 -4.010 -2.541 -4.352 145 1HB PHE 20 2HB PHE 20 -1.777 -2.342 -6.352 146 2HB PHE 20 3HB PHE 20 -3.318 -1.765 -6.955 147 HD1 PHE 20 1HD PHE 20 -2.124 -1.503 -3.456 148 HD2 PHE 20 2HD PHE 20 -2.871 0.542 -7.099 149 HE1 PHE 20 1HE PHE 20 -1.755 0.694 -2.299 150 HE2 PHE 20 2HE PHE 20 -2.502 2.739 -5.941 151 HZ PHE 20 HZ PHE 20 -1.949 2.788 -3.555 152 H GLU 21 HN GLU 21 -5.936 -3.569 -4.673 153 HA GLU 21 HA GLU 21 -6.185 -5.035 -7.182 154 1HB GLU 21 2HB GLU 21 -6.890 -5.714 -4.433 155 2HB GLU 21 3HB GLU 21 -8.313 -5.777 -5.455 156 1HG GLU 21 2HG GLU 21 -5.797 -7.021 -6.541 157 2HG GLU 21 3HG GLU 21 -6.593 -7.859 -5.223 158 H GLN 22 HN GLN 22 -7.522 -4.143 -8.694 159 HA GLN 22 HA GLN 22 -9.577 -2.341 -7.673 160 1HB GLN 22 2HB GLN 22 -7.765 -1.061 -8.763 161 2HB GLN 22 3HB GLN 22 -7.911 -2.038 -10.210 162 1HG GLN 22 2HG GLN 22 -10.456 -1.265 -10.138 163 2HG GLN 22 3HG GLN 22 -9.844 0.019 -9.113 164 1HE2 GLN 22 1HE2 GLN 22 -8.843 -1.703 -12.073 165 2HE2 GLN 22 2HE2 GLN 22 -8.440 -0.306 -13.013 166 H LYS 23 HN LYS 23 -10.842 -4.445 -7.676 167 HA LYS 23 HA LYS 23 -11.372 -5.680 -10.180 168 1HB LYS 23 2HB LYS 23 -12.120 -6.039 -7.358 169 2HB LYS 23 3HB LYS 23 -13.406 -6.439 -8.478 170 1HG LYS 23 2HG LYS 23 -11.586 -7.773 -9.800 171 2HG LYS 23 3HG LYS 23 -10.601 -7.610 -8.360 172 1HD LYS 23 2HD LYS 23 -11.749 -9.257 -7.298 173 2HD LYS 23 3HD LYS 23 -13.282 -8.468 -7.609 174 1HE LYS 23 2HE LYS 23 -13.539 -9.550 -9.740 175 2HE LYS 23 3HE LYS 23 -11.853 -10.025 -9.799 176 1HZ LYS 23 1HZ LYS 23 -12.219 -11.736 -8.409 177 2HZ LYS 23 2HZ LYS 23 -13.393 -10.988 -7.554 178 3HZ LYS 23 3HZ LYS 23 -13.735 -11.644 -9.010 179 H GLU 24 HN GLU 24 -11.696 -3.303 -11.085 180 HA GLU 24 HA GLU 24 -14.515 -3.102 -11.457 181 1HB GLU 24 2HB GLU 24 -13.076 -1.231 -9.686 182 2HB GLU 24 3HB GLU 24 -13.934 -0.412 -10.976 183 1HG GLU 24 2HG GLU 24 -15.375 -2.603 -9.480 184 2HG GLU 24 3HG GLU 24 -15.154 -1.063 -8.674 185 H SER 25 HN SER 25 -11.255 -1.606 -11.942 186 HA SER 25 HA SER 25 -10.197 -1.264 -13.850 187 1HB SER 25 2HB SER 25 -11.923 -2.948 -14.887 188 2HB SER 25 3HB SER 25 -12.733 -1.518 -15.494 189 HG SER 25 HG SER 25 -10.357 -0.982 -16.252 190 H ASN 26 HN ASN 26 -12.995 0.294 -12.641 191 HA ASN 26 HA ASN 26 -12.005 2.797 -13.565 192 1HB ASN 26 2HB ASN 26 -14.260 3.518 -14.491 193 2HB ASN 26 3HB ASN 26 -13.460 2.304 -15.469 194 1HD2 ASN 26 1HD2 ASN 26 -15.769 2.154 -16.185 195 2HD2 ASN 26 2HD2 ASN 26 -16.794 1.003 -15.394 196 H GLY 27 HN GLY 27 -12.517 1.186 -11.049 197 1HA GLY 27 1HA GLY 27 -14.410 3.037 -9.726 198 2HA GLY 27 2HA GLY 27 -14.335 1.324 -9.361 199 HA PRO 28 HA PRO 28 -11.497 3.168 -6.421 200 1HB PRO 28 2HB PRO 28 -12.213 1.631 -4.278 201 2HB PRO 28 3HB PRO 28 -12.947 3.182 -4.633 202 1HG PRO 28 2HG PRO 28 -14.059 0.472 -5.028 203 2HG PRO 28 3HG PRO 28 -14.903 2.007 -4.970 204 1HD PRO 28 2HD PRO 28 -14.284 0.477 -7.316 205 2HD PRO 28 3HD PRO 28 -15.024 2.065 -7.265 206 H VAL 29 HN VAL 29 -9.657 2.331 -5.111 207 HA VAL 29 HA VAL 29 -8.813 -0.188 -6.368 208 HB VAL 29 HB VAL 29 -7.126 2.109 -5.357 209 1HG1 VAL 29 1HG1 VAL 29 -6.326 -0.328 -6.983 210 2HG1 VAL 29 2HG1 VAL 29 -5.254 0.965 -6.394 211 3HG1 VAL 29 3HG1 VAL 29 -6.048 -0.128 -5.236 212 1HG2 VAL 29 1HG2 VAL 29 -6.621 2.324 -7.879 213 2HG2 VAL 29 2HG2 VAL 29 -8.118 1.392 -8.118 214 3HG2 VAL 29 3HG2 VAL 29 -8.171 2.960 -7.278 215 H LYS 30 HN LYS 30 -9.421 -1.727 -4.874 216 HA LYS 30 HA LYS 30 -9.544 -1.370 -2.151 217 1HB LYS 30 2HB LYS 30 -9.518 -3.633 -4.037 218 2HB LYS 30 3HB LYS 30 -8.940 -4.040 -2.434 219 1HG LYS 30 2HG LYS 30 -11.002 -3.731 -1.461 220 2HG LYS 30 3HG LYS 30 -11.370 -2.323 -2.438 221 1HD LYS 30 2HD LYS 30 -11.516 -4.145 -4.407 222 2HD LYS 30 3HD LYS 30 -11.808 -5.242 -3.071 223 1HE LYS 30 2HE LYS 30 -13.467 -3.074 -2.454 224 2HE LYS 30 3HE LYS 30 -13.570 -3.149 -4.202 225 1HZ LYS 30 1HZ LYS 30 -14.524 -5.175 -4.125 226 2HZ LYS 30 2HZ LYS 30 -13.768 -5.648 -2.757 227 3HZ LYS 30 3HZ LYS 30 -15.047 -4.635 -2.675 228 H VAL 31 HN VAL 31 -7.813 -0.207 -1.271 229 HA VAL 31 HA VAL 31 -5.136 -1.195 -1.716 230 HB VAL 31 HB VAL 31 -6.261 1.075 -0.065 231 1HG1 VAL 31 1HG1 VAL 31 -4.270 0.776 1.025 232 2HG1 VAL 31 2HG1 VAL 31 -3.488 0.004 -0.375 233 3HG1 VAL 31 3HG1 VAL 31 -3.700 1.771 -0.336 234 1HG2 VAL 31 1HG2 VAL 31 -4.758 2.204 -2.047 235 2HG2 VAL 31 2HG2 VAL 31 -5.431 0.785 -2.886 236 3HG2 VAL 31 3HG2 VAL 31 -6.520 1.968 -2.122 237 H TRP 32 HN TRP 32 -4.068 -2.615 -0.424 238 HA TRP 32 HA TRP 32 -4.661 -2.792 2.360 239 1HB TRP 32 2HB TRP 32 -6.035 -4.517 2.475 240 2HB TRP 32 3HB TRP 32 -6.345 -4.284 0.766 241 HD1 TRP 32 HD1 TRP 32 -3.935 -6.385 3.007 242 HE1 TRP 32 HE1 TRP 32 -3.319 -8.662 1.824 243 HE3 TRP 32 HE3 TRP 32 -6.386 -5.396 -1.337 244 HZ2 TRP 32 HZ2 TRP 32 -3.913 -9.769 -0.738 245 HZ3 TRP 32 HZ3 TRP 32 -6.318 -7.128 -3.128 246 HH2 TRP 32 HH2 TRP 32 -5.137 -9.253 -2.882 247 H GLY 33 HN GLY 33 -3.158 -4.488 3.365 248 1HA GLY 33 1HA GLY 33 -1.210 -5.882 2.020 249 2HA GLY 33 2HA GLY 33 -0.574 -4.256 2.168 250 H SER 34 HN SER 34 1.099 -5.391 3.546 251 HA SER 34 HA SER 34 0.323 -5.091 6.269 252 1HB SER 34 2HB SER 34 1.074 -7.349 6.983 253 2HB SER 34 3HB SER 34 -0.327 -7.433 5.934 254 HG SER 34 HG SER 34 2.255 -7.576 4.723 255 H ILE 35 HN ILE 35 2.006 -3.978 7.189 256 HA ILE 35 HA ILE 35 4.538 -3.957 5.805 257 HB ILE 35 HB ILE 35 3.044 -2.219 7.558 258 1HG1 ILE 35 2HG1 ILE 35 5.377 -1.003 6.424 259 2HG1 ILE 35 3HG1 ILE 35 4.706 -2.109 5.242 260 1HG2 ILE 35 1HG2 ILE 35 5.987 -2.485 8.225 261 2HG2 ILE 35 2HG2 ILE 35 4.822 -1.328 8.911 262 3HG2 ILE 35 3HG2 ILE 35 4.655 -3.067 9.252 263 1HD1 ILE 35 1HD1 ILE 35 3.795 0.438 5.605 264 2HD1 ILE 35 2HD1 ILE 35 2.778 -0.882 4.978 265 3HD1 ILE 35 3HD1 ILE 35 2.702 -0.442 6.701 266 H LYS 36 HN LYS 36 6.595 -4.039 7.248 267 HA LYS 36 HA LYS 36 6.361 -5.791 9.516 268 1HB LYS 36 2HB LYS 36 7.658 -6.753 6.951 269 2HB LYS 36 3HB LYS 36 7.902 -7.503 8.516 270 1HG LYS 36 2HG LYS 36 5.244 -7.548 8.599 271 2HG LYS 36 3HG LYS 36 5.368 -7.359 6.861 272 1HD LYS 36 2HD LYS 36 7.254 -9.368 7.446 273 2HD LYS 36 3HD LYS 36 5.922 -9.726 8.527 274 1HE LYS 36 2HE LYS 36 4.440 -10.186 6.789 275 2HE LYS 36 3HE LYS 36 5.191 -9.042 5.695 276 1HZ LYS 36 1HZ LYS 36 7.146 -10.742 5.914 277 2HZ LYS 36 2HZ LYS 36 5.931 -11.779 6.254 278 3HZ LYS 36 3HZ LYS 36 5.939 -10.968 4.837 279 H GLY 37 HN GLY 37 7.664 -4.844 10.981 280 1HA GLY 37 1HA GLY 37 10.106 -4.533 11.386 281 2HA GLY 37 2HA GLY 37 10.101 -3.510 9.963 282 H LEU 38 HN LEU 38 7.522 -2.225 10.363 283 HA LEU 38 HA LEU 38 8.274 -0.065 11.888 284 1HB LEU 38 2HB LEU 38 5.755 -1.088 10.705 285 2HB LEU 38 3HB LEU 38 5.593 0.130 11.954 286 HG LEU 38 HG LEU 38 7.516 1.270 10.385 287 1HD1 LEU 38 1HD1 LEU 38 7.385 0.766 8.186 288 2HD1 LEU 38 2HD1 LEU 38 6.864 -0.816 8.814 289 3HD1 LEU 38 3HD1 LEU 38 5.652 0.365 8.262 290 1HD2 LEU 38 1HD2 LEU 38 4.594 1.647 9.756 291 2HD2 LEU 38 2HD2 LEU 38 5.282 2.139 11.322 292 3HD2 LEU 38 3HD2 LEU 38 5.901 2.853 9.813 293 H THR 39 HN THR 39 6.239 0.550 13.704 294 HA THR 39 HA THR 39 6.478 -1.585 15.714 295 HB THR 39 HB THR 39 6.968 0.215 17.381 296 HG1 THR 39 1HG THR 39 7.138 1.821 14.932 297 1HG2 THR 39 1HG2 THR 39 9.226 0.644 16.784 298 2HG2 THR 39 2HG2 THR 39 8.866 -0.824 15.844 299 3HG2 THR 39 3HG2 THR 39 8.839 0.769 15.051 300 H GLU 40 HN GLU 40 4.784 -1.700 17.270 301 HA GLU 40 HA GLU 40 2.303 -1.294 16.173 302 1HB GLU 40 2HB GLU 40 1.443 -2.158 18.195 303 2HB GLU 40 3HB GLU 40 3.054 -2.844 18.113 304 1HG GLU 40 2HG GLU 40 3.823 -0.781 19.504 305 2HG GLU 40 3HG GLU 40 2.120 -0.485 19.797 306 H GLY 41 HN GLY 41 1.149 0.549 15.825 307 1HA GLY 41 1HA GLY 41 0.233 2.397 17.425 308 2HA GLY 41 2HA GLY 41 1.892 2.953 17.331 309 H LEU 42 HN LEU 42 -0.391 4.452 16.389 310 HA LEU 42 HA LEU 42 -0.965 4.192 13.722 311 1HB LEU 42 2HB LEU 42 -0.806 6.557 15.569 312 2HB LEU 42 3HB LEU 42 -1.242 6.754 13.883 313 HG LEU 42 HG LEU 42 -2.744 4.723 15.485 314 1HD1 LEU 42 1HD1 LEU 42 -3.171 7.713 15.740 315 2HD1 LEU 42 2HD1 LEU 42 -4.302 6.459 16.303 316 3HD1 LEU 42 3HD1 LEU 42 -2.681 6.586 17.028 317 1HD2 LEU 42 1HD2 LEU 42 -2.937 5.577 12.917 318 2HD2 LEU 42 2HD2 LEU 42 -4.279 4.873 13.850 319 3HD2 LEU 42 3HD2 LEU 42 -4.122 6.641 13.711 320 H HIS 43 HN HIS 43 -0.201 5.574 11.861 321 HA HIS 43 HA HIS 43 2.587 6.340 12.105 322 1HB HIS 43 2HB HIS 43 1.595 4.349 10.045 323 2HB HIS 43 3HB HIS 43 3.190 5.075 10.068 324 HD1 HIS 43 HD1 HIS 43 4.245 4.720 12.813 325 HD2 HIS 43 HD2 HIS 43 1.800 1.820 11.021 326 HE1 HIS 43 HE1 HIS 43 4.711 2.533 14.043 327 H GLY 44 HN GLY 44 3.266 7.276 9.762 328 1HA GLY 44 1HA GLY 44 1.510 9.464 9.309 329 2HA GLY 44 2HA GLY 44 2.971 9.069 8.427 330 H PHE 45 HN PHE 45 2.454 9.043 6.273 331 HA PHE 45 HA PHE 45 0.308 7.226 5.492 332 1HB PHE 45 2HB PHE 45 0.795 9.979 4.233 333 2HB PHE 45 3HB PHE 45 -0.607 8.952 4.009 334 HD1 PHE 45 1HD PHE 45 1.198 10.721 6.761 335 HD2 PHE 45 2HD PHE 45 -2.533 9.485 5.159 336 HE1 PHE 45 1HE PHE 45 0.003 11.950 8.595 337 HE2 PHE 45 2HE PHE 45 -3.727 10.715 6.993 338 HZ PHE 45 HZ PHE 45 -2.445 11.932 8.689 339 H HIS 46 HN HIS 46 0.375 7.055 2.913 340 HA HIS 46 HA HIS 46 3.210 6.746 2.257 341 1HB HIS 46 2HB HIS 46 1.361 5.306 0.534 342 2HB HIS 46 3HB HIS 46 2.755 4.726 1.424 343 HD1 HIS 46 HD1 HIS 46 2.283 3.222 3.378 344 HD2 HIS 46 HD2 HIS 46 -1.067 5.486 2.263 345 HE1 HIS 46 HE1 HIS 46 0.345 2.382 4.809 346 H VAL 47 HN VAL 47 3.466 6.742 -0.332 347 HA VAL 47 HA VAL 47 3.371 7.879 -2.230 348 HB VAL 47 HB VAL 47 0.781 9.100 -1.269 349 1HG1 VAL 47 1HG1 VAL 47 1.576 10.202 -3.231 350 2HG1 VAL 47 2HG1 VAL 47 2.005 8.658 -4.007 351 3HG1 VAL 47 3HG1 VAL 47 0.295 9.082 -3.752 352 1HG2 VAL 47 1HG2 VAL 47 -0.345 7.212 -2.435 353 2HG2 VAL 47 2HG2 VAL 47 1.241 6.429 -2.638 354 3HG2 VAL 47 3HG2 VAL 47 0.585 6.699 -1.006 355 H HIS 48 HN HIS 48 4.683 9.572 -2.711 356 HA HIS 48 HA HIS 48 4.280 12.133 -1.661 357 1HB HIS 48 2HB HIS 48 5.964 12.395 -0.068 358 2HB HIS 48 3HB HIS 48 5.182 10.890 0.373 359 HD1 HIS 48 HD1 HIS 48 6.497 8.646 -0.721 360 HD2 HIS 48 HD2 HIS 48 8.682 12.186 -0.183 361 HE1 HIS 48 HE1 HIS 48 8.959 7.975 -0.729 362 H GLU 49 HN GLU 49 4.532 12.875 -3.758 363 HA GLU 49 HA GLU 49 6.072 12.000 -5.700 364 1HB GLU 49 2HB GLU 49 6.218 14.370 -6.527 365 2HB GLU 49 3HB GLU 49 4.610 13.912 -6.002 366 1HG GLU 49 2HG GLU 49 4.603 15.643 -4.541 367 2HG GLU 49 3HG GLU 49 5.942 14.912 -3.679 368 H GLU 50 HN GLU 50 8.095 11.094 -5.287 369 HA GLU 50 HA GLU 50 9.948 12.199 -3.570 370 1HB GLU 50 2HB GLU 50 9.756 9.946 -5.343 371 2HB GLU 50 3HB GLU 50 11.290 10.731 -5.664 372 1HG GLU 50 2HG GLU 50 10.367 10.115 -2.826 373 2HG GLU 50 3HG GLU 50 11.243 8.940 -3.787 374 H GLU 51 HN GLU 51 11.791 13.537 -3.876 375 HA GLU 51 HA GLU 51 11.479 15.439 -5.924 376 1HB GLU 51 2HB GLU 51 12.707 15.369 -3.435 377 2HB GLU 51 3HB GLU 51 14.087 15.389 -4.515 378 1HG GLU 51 2HG GLU 51 11.903 17.294 -5.236 379 2HG GLU 51 3HG GLU 51 12.707 17.637 -3.717 380 H ASP 52 HN ASP 52 13.952 12.879 -5.217 381 HA ASP 52 HA ASP 52 15.471 11.939 -6.449 382 1HB ASP 52 2HB ASP 52 13.623 10.997 -7.697 383 2HB ASP 52 3HB ASP 52 13.365 12.490 -8.577 384 H ASN 53 HN ASN 53 17.279 13.354 -6.429 385 HA ASN 53 HA ASN 53 17.257 15.443 -8.457 386 1HB ASN 53 2HB ASN 53 17.926 15.515 -5.701 387 2HB ASN 53 3HB ASN 53 19.477 15.543 -6.516 388 1HD2 ASN 53 1HD2 ASN 53 17.872 17.574 -5.014 389 2HD2 ASN 53 2HD2 ASN 53 17.785 18.969 -6.037 390 H THR 54 HN THR 54 18.388 12.322 -7.703 391 HA THR 54 HA THR 54 20.382 12.449 -9.793 392 HB THR 54 HB THR 54 21.380 13.046 -7.383 393 HG1 THR 54 1HG THR 54 22.320 10.938 -9.199 394 1HG2 THR 54 1HG2 THR 54 21.234 9.986 -7.415 395 2HG2 THR 54 2HG2 THR 54 22.303 10.934 -6.354 396 3HG2 THR 54 3HG2 THR 54 20.537 11.054 -6.174 397 H ALA 55 HN ALA 55 18.876 10.465 -7.168 398 HA ALA 55 HA ALA 55 17.550 8.720 -8.708 399 1HB ALA 55 1HB ALA 55 20.478 8.215 -8.844 400 2HB ALA 55 2HB ALA 55 19.462 6.787 -8.531 401 3HB ALA 55 3HB ALA 55 19.186 7.775 -9.986 402 H GLY 56 HN GLY 56 16.207 7.940 -7.169 403 1HA GLY 56 1HA GLY 56 17.120 6.412 -4.980 404 2HA GLY 56 2HA GLY 56 16.757 8.037 -4.435 405 H CYS 57 HN CYS 57 15.304 5.587 -6.708 406 HA CYS 57 HA CYS 57 13.286 4.685 -6.731 407 1HB CYS 57 2HB CYS 57 13.466 5.420 -4.052 408 2HB CYS 57 3HB CYS 57 11.954 6.131 -4.580 409 H THR 58 HN THR 58 11.932 5.341 -8.369 410 HA THR 58 HA THR 58 11.013 8.135 -8.315 411 HB THR 58 HB THR 58 11.399 8.171 -10.788 412 HG1 THR 58 1HG THR 58 12.675 5.606 -10.151 413 1HG2 THR 58 1HG2 THR 58 13.536 7.924 -8.798 414 2HG2 THR 58 2HG2 THR 58 14.055 7.243 -10.359 415 3HG2 THR 58 3HG2 THR 58 13.493 8.930 -10.267 416 H SER 59 HN SER 59 9.529 7.786 -10.811 417 HA SER 59 HA SER 59 7.834 5.582 -10.547 418 1HB SER 59 2HB SER 59 5.780 7.221 -10.000 419 2HB SER 59 3HB SER 59 6.665 6.395 -8.734 420 HG SER 59 HG SER 59 7.178 8.312 -7.955 421 H ALA 60 HN ALA 60 9.387 7.071 -12.551 422 HA ALA 60 HA ALA 60 9.222 7.855 -14.613 423 1HB ALA 60 1HB ALA 60 7.413 7.024 -15.980 424 2HB ALA 60 2HB ALA 60 7.806 5.769 -14.780 425 3HB ALA 60 3HB ALA 60 6.371 6.797 -14.555 426 H GLY 61 HN GLY 61 8.142 9.407 -12.127 427 1HA GLY 61 1HA GLY 61 7.916 11.866 -12.826 428 2HA GLY 61 2HA GLY 61 6.411 11.325 -13.542 429 HA PRO 62 HA PRO 62 6.018 10.864 -8.827 430 1HB PRO 62 2HB PRO 62 7.967 11.908 -7.222 431 2HB PRO 62 3HB PRO 62 7.902 10.216 -7.673 432 1HG PRO 62 2HG PRO 62 9.705 12.334 -8.676 433 2HG PRO 62 3HG PRO 62 9.889 10.594 -8.783 434 1HD PRO 62 2HD PRO 62 9.071 12.366 -10.885 435 2HD PRO 62 3HD PRO 62 9.144 10.616 -10.957 436 H HIS 63 HN HIS 63 4.249 12.143 -8.897 437 HA HIS 63 HA HIS 63 4.746 14.804 -7.897 438 1HB HIS 63 2HB HIS 63 4.929 15.242 -10.237 439 2HB HIS 63 3HB HIS 63 3.524 14.263 -10.608 440 HD1 HIS 63 HD1 HIS 63 1.597 15.704 -11.238 441 HD2 HIS 63 HD2 HIS 63 3.942 17.456 -8.233 442 HE1 HIS 63 HE1 HIS 63 0.486 17.930 -10.670 443 H PHE 64 HN PHE 64 3.617 12.343 -6.803 444 HA PHE 64 HA PHE 64 0.794 12.480 -6.964 445 1HB PHE 64 2HB PHE 64 2.721 11.310 -4.866 446 2HB PHE 64 3HB PHE 64 1.033 10.866 -5.019 447 HD1 PHE 64 1HD PHE 64 4.151 9.677 -5.611 448 HD2 PHE 64 2HD PHE 64 0.500 10.265 -7.692 449 HE1 PHE 64 1HE PHE 64 4.775 7.856 -7.220 450 HE2 PHE 64 2HE PHE 64 1.124 8.443 -9.302 451 HZ PHE 64 HZ PHE 64 3.255 7.260 -9.047 452 H ASN 65 HN ASN 65 1.076 15.038 -6.582 453 HA ASN 65 HA ASN 65 0.654 15.394 -3.719 454 1HB ASN 65 2HB ASN 65 2.633 16.633 -4.026 455 2HB ASN 65 3HB ASN 65 2.268 17.006 -5.699 456 1HD2 ASN 65 1HD2 ASN 65 2.826 19.170 -5.236 457 2HD2 ASN 65 2HD2 ASN 65 1.717 20.257 -4.468 458 HA PRO 66 HA PRO 66 -3.069 16.724 -5.909 459 1HB PRO 66 2HB PRO 66 -4.873 15.855 -4.050 460 2HB PRO 66 3HB PRO 66 -4.335 14.870 -5.396 461 1HG PRO 66 2HG PRO 66 -3.584 14.680 -2.543 462 2HG PRO 66 3HG PRO 66 -3.406 13.480 -3.807 463 1HD PRO 66 2HD PRO 66 -1.336 15.131 -2.704 464 2HD PRO 66 3HD PRO 66 -1.183 14.015 -4.046 465 H LEU 67 HN LEU 67 -2.003 18.837 -5.505 466 HA LEU 67 HA LEU 67 -2.398 20.931 -4.867 467 1HB LEU 67 2HB LEU 67 -4.825 19.654 -4.156 468 2HB LEU 67 3HB LEU 67 -4.371 20.675 -2.805 469 HG LEU 67 HG LEU 67 -4.390 21.754 -5.621 470 1HD1 LEU 67 1HD1 LEU 67 -6.779 22.028 -3.816 471 2HD1 LEU 67 2HD1 LEU 67 -6.650 22.262 -5.576 472 3HD1 LEU 67 3HD1 LEU 67 -6.610 20.620 -4.892 473 1HD2 LEU 67 1HD2 LEU 67 -3.780 22.810 -3.034 474 2HD2 LEU 67 2HD2 LEU 67 -3.725 23.615 -4.620 475 3HD2 LEU 67 3HD2 LEU 67 -5.226 23.634 -3.665 476 H SER 68 HN SER 68 -2.638 18.540 -2.155 477 HA SER 68 HA SER 68 -1.716 18.507 -0.180 478 1HB SER 68 2HB SER 68 0.247 17.883 -1.474 479 2HB SER 68 3HB SER 68 0.625 19.559 -1.819 480 HG SER 68 HG SER 68 0.519 19.450 0.833 481 H ARG 69 HN ARG 69 0.571 21.124 -0.758 482 HA ARG 69 HA ARG 69 0.696 23.188 -0.096 483 1HB ARG 69 2HB ARG 69 -2.258 23.116 0.692 484 2HB ARG 69 3HB ARG 69 -1.289 24.550 0.418 485 1HG ARG 69 2HG ARG 69 -0.901 23.310 -1.978 486 2HG ARG 69 3HG ARG 69 -2.471 22.643 -1.576 487 1HD ARG 69 2HD ARG 69 -3.543 24.645 -1.900 488 2HD ARG 69 3HD ARG 69 -2.302 25.556 -1.064 489 HE ARG 69 HE ARG 69 -1.300 24.606 -3.603 490 1HH1 ARG 69 2HH2 ARG 69 -3.413 27.041 -2.192 491 2HH1 ARG 69 1HH2 ARG 69 -3.209 28.159 -3.499 492 1HH2 ARG 69 2HH1 ARG 69 -1.031 26.081 -5.327 493 2HH2 ARG 69 1HH1 ARG 69 -1.845 27.609 -5.294 494 H LYS 70 HN LYS 70 -1.762 21.603 2.088 495 HA LYS 70 HA LYS 70 0.124 22.025 4.294 496 1HB LYS 70 2HB LYS 70 -2.146 23.528 3.987 497 2HB LYS 70 3HB LYS 70 -2.743 22.213 4.978 498 1HG LYS 70 2HG LYS 70 -1.748 23.120 6.799 499 2HG LYS 70 3HG LYS 70 -0.179 22.944 6.040 500 1HD LYS 70 2HD LYS 70 -1.827 25.239 5.057 501 2HD LYS 70 3HD LYS 70 -1.286 25.362 6.719 502 1HE LYS 70 2HE LYS 70 1.069 24.986 6.003 503 2HE LYS 70 3HE LYS 70 0.549 24.795 4.340 504 1HZ LYS 70 1HZ LYS 70 -0.187 27.218 5.772 505 2HZ LYS 70 2HZ LYS 70 1.333 27.072 5.192 506 3HZ LYS 70 3HZ LYS 70 0.059 26.999 4.172 507 H HIS 71 HN HIS 71 -0.098 20.457 6.057 508 HA HIS 71 HA HIS 71 -0.086 17.906 5.308 509 1HB HIS 71 2HB HIS 71 0.623 18.353 7.473 510 2HB HIS 71 3HB HIS 71 -0.833 19.233 7.892 511 HD1 HIS 71 HD1 HIS 71 -0.436 15.645 6.575 512 HD2 HIS 71 HD2 HIS 71 -2.002 17.740 9.855 513 HE1 HIS 71 HE1 HIS 71 -1.569 13.906 8.059 514 H GLY 72 HN GLY 72 -2.922 18.732 7.344 515 1HA GLY 72 1HA GLY 72 -5.157 18.543 6.877 516 2HA GLY 72 2HA GLY 72 -4.792 18.002 5.250 517 H GLY 73 HN GLY 73 -6.520 16.355 5.714 518 1HA GLY 73 1HA GLY 73 -5.810 13.839 5.850 519 2HA GLY 73 2HA GLY 73 -5.707 14.227 7.556 520 HA PRO 74 HA PRO 74 -9.985 13.426 7.671 521 1HB PRO 74 2HB PRO 74 -10.472 14.088 10.278 522 2HB PRO 74 3HB PRO 74 -9.829 12.533 9.788 523 1HG PRO 74 2HG PRO 74 -8.422 14.804 11.053 524 2HG PRO 74 3HG PRO 74 -7.925 13.127 10.946 525 1HD PRO 74 2HD PRO 74 -6.931 15.315 9.379 526 2HD PRO 74 3HD PRO 74 -6.520 13.621 9.195 527 H LYS 75 HN LYS 75 -8.661 16.502 8.501 528 HA LYS 75 HA LYS 75 -11.108 17.861 8.687 529 1HB LYS 75 2HB LYS 75 -8.624 18.509 9.334 530 2HB LYS 75 3HB LYS 75 -8.606 19.206 7.727 531 1HG LYS 75 2HG LYS 75 -9.553 21.034 8.717 532 2HG LYS 75 3HG LYS 75 -11.043 20.115 8.652 533 1HD LYS 75 2HD LYS 75 -10.805 19.358 10.927 534 2HD LYS 75 3HD LYS 75 -9.124 19.846 10.999 535 1HE LYS 75 2HE LYS 75 -10.131 22.271 10.475 536 2HE LYS 75 3HE LYS 75 -11.606 21.570 11.110 537 1HZ LYS 75 1HZ LYS 75 -9.125 22.130 12.473 538 2HZ LYS 75 2HZ LYS 75 -10.662 22.253 13.013 539 3HZ LYS 75 3HZ LYS 75 -9.931 20.794 12.955 540 H ASP 76 HN ASP 76 -9.103 16.768 5.966 541 HA ASP 76 HA ASP 76 -9.481 16.701 3.831 542 1HB ASP 76 2HB ASP 76 -12.299 17.699 4.460 543 2HB ASP 76 3HB ASP 76 -11.792 17.006 2.933 544 H GLU 77 HN GLU 77 -9.109 19.368 5.581 545 HA GLU 77 HA GLU 77 -9.996 21.320 3.670 546 1HB GLU 77 2HB GLU 77 -9.848 21.425 6.359 547 2HB GLU 77 3HB GLU 77 -8.246 22.042 6.006 548 1HG GLU 77 2HG GLU 77 -9.595 23.994 6.066 549 2HG GLU 77 3HG GLU 77 -9.408 23.675 4.353 550 H GLU 78 HN GLU 78 -7.589 19.157 3.555 551 HA GLU 78 HA GLU 78 -6.073 20.698 1.785 552 1HB GLU 78 2HB GLU 78 -5.174 20.634 4.592 553 2HB GLU 78 3HB GLU 78 -3.949 20.041 3.488 554 1HG GLU 78 2HG GLU 78 -3.450 22.194 2.982 555 2HG GLU 78 3HG GLU 78 -5.008 22.318 2.190 556 H ARG 79 HN ARG 79 -3.657 19.229 1.758 557 HA ARG 79 HA ARG 79 -4.532 16.473 1.780 558 1HB ARG 79 2HB ARG 79 -3.766 18.095 -0.616 559 2HB ARG 79 3HB ARG 79 -3.022 16.510 -0.530 560 1HG ARG 79 2HG ARG 79 -4.978 15.852 -1.552 561 2HG ARG 79 3HG ARG 79 -5.565 15.794 0.098 562 1HD ARG 79 2HD ARG 79 -6.195 18.319 -0.251 563 2HD ARG 79 3HD ARG 79 -5.980 17.996 -1.960 564 HE ARG 79 HE ARG 79 -7.629 15.924 -1.069 565 1HH1 ARG 79 2HH2 ARG 79 -7.788 19.439 -1.040 566 2HH1 ARG 79 1HH2 ARG 79 -9.519 19.489 -1.101 567 1HH2 ARG 79 2HH1 ARG 79 -9.912 15.989 -1.150 568 2HH2 ARG 79 1HH1 ARG 79 -10.735 17.513 -1.164 569 H HIS 80 HN HIS 80 -2.800 14.966 2.151 570 HA HIS 80 HA HIS 80 -0.363 16.264 3.056 571 1HB HIS 80 2HB HIS 80 -1.339 14.891 4.713 572 2HB HIS 80 3HB HIS 80 -1.638 13.583 3.586 573 HD1 HIS 80 HD1 HIS 80 1.207 15.269 5.461 574 HD2 HIS 80 HD2 HIS 80 0.448 11.765 3.283 575 HE1 HIS 80 HE1 HIS 80 3.238 13.762 5.801 576 H VAL 81 HN VAL 81 -0.510 16.399 0.332 577 HA VAL 81 HA VAL 81 0.393 15.744 -1.591 578 HB VAL 81 HB VAL 81 2.322 16.530 -0.287 579 1HG1 VAL 81 1HG1 VAL 81 3.924 14.710 0.551 580 2HG1 VAL 81 2HG1 VAL 81 2.485 15.048 1.542 581 3HG1 VAL 81 3HG1 VAL 81 2.524 13.614 0.489 582 1HG2 VAL 81 1HG2 VAL 81 3.426 16.215 -2.196 583 2HG2 VAL 81 2HG2 VAL 81 3.848 14.568 -1.668 584 3HG2 VAL 81 3HG2 VAL 81 2.365 14.848 -2.612 585 H GLY 82 HN GLY 82 -1.449 13.839 -0.417 586 1HA GLY 82 1HA GLY 82 -0.818 11.571 -2.016 587 2HA GLY 82 2HA GLY 82 -0.573 11.221 -0.316 588 H ASP 83 HN ASP 83 -2.635 12.991 0.760 589 HA ASP 83 HA ASP 83 -4.708 12.831 1.389 590 1HB ASP 83 2HB ASP 83 -5.087 14.000 -0.759 591 2HB ASP 83 3HB ASP 83 -5.163 12.470 -1.609 592 H LEU 84 HN LEU 84 -4.807 10.858 2.585 593 HA LEU 84 HA LEU 84 -6.255 8.730 1.347 594 1HB LEU 84 2HB LEU 84 -3.468 8.605 1.163 595 2HB LEU 84 3HB LEU 84 -3.874 7.547 2.501 596 HG LEU 84 HG LEU 84 -3.744 6.303 0.419 597 1HD1 LEU 84 1HD1 LEU 84 -5.409 4.928 1.001 598 2HD1 LEU 84 2HD1 LEU 84 -5.751 6.119 2.279 599 3HD1 LEU 84 3HD1 LEU 84 -6.659 6.170 0.749 600 1HD2 LEU 84 1HD2 LEU 84 -5.292 6.675 -1.431 601 2HD2 LEU 84 2HD2 LEU 84 -5.982 8.083 -0.588 602 3HD2 LEU 84 3HD2 LEU 84 -4.289 8.116 -1.135 603 H GLY 85 HN GLY 85 -3.905 8.647 4.086 604 1HA GLY 85 1HA GLY 85 -5.416 9.453 6.181 605 2HA GLY 85 2HA GLY 85 -6.016 7.835 5.877 606 H ASN 86 HN ASN 86 -4.800 8.312 8.306 607 HA ASN 86 HA ASN 86 -2.032 7.629 8.074 608 1HB ASN 86 2HB ASN 86 -3.705 7.674 10.630 609 2HB ASN 86 3HB ASN 86 -1.972 7.899 10.489 610 1HD2 ASN 86 1HD2 ASN 86 -1.699 9.880 11.266 611 2HD2 ASN 86 2HD2 ASN 86 -2.409 11.330 10.639 612 H VAL 87 HN VAL 87 -1.129 5.593 8.932 613 HA VAL 87 HA VAL 87 -3.136 3.453 9.056 614 HB VAL 87 HB VAL 87 -1.516 1.995 8.156 615 1HG1 VAL 87 1HG1 VAL 87 -2.624 3.707 6.612 616 2HG1 VAL 87 2HG1 VAL 87 -1.057 4.550 6.601 617 3HG1 VAL 87 3HG1 VAL 87 -1.174 2.882 5.991 618 1HG2 VAL 87 1HG2 VAL 87 0.557 4.205 8.344 619 2HG2 VAL 87 2HG2 VAL 87 0.411 2.855 9.494 620 3HG2 VAL 87 3HG2 VAL 87 0.811 2.532 7.790 621 H THR 88 HN THR 88 -2.028 1.449 10.339 622 HA THR 88 HA THR 88 -0.546 2.377 12.648 623 HB THR 88 HB THR 88 -3.370 1.209 12.882 624 HG1 THR 88 1HG THR 88 -3.575 3.409 12.406 625 1HG2 THR 88 1HG2 THR 88 -1.384 2.287 14.952 626 2HG2 THR 88 2HG2 THR 88 -3.088 1.902 15.290 627 3HG2 THR 88 3HG2 THR 88 -1.957 0.606 14.832 628 H ALA 89 HN ALA 89 0.234 0.597 13.999 629 HA ALA 89 HA ALA 89 0.568 -1.783 12.333 630 1HB ALA 89 1HB ALA 89 2.687 -1.021 12.880 631 2HB ALA 89 2HB ALA 89 2.167 -0.380 14.458 632 3HB ALA 89 3HB ALA 89 2.388 -2.132 14.238 633 H ASP 90 HN ASP 90 0.600 -3.926 13.497 634 HA ASP 90 HA ASP 90 -1.769 -4.135 14.992 635 1HB ASP 90 2HB ASP 90 -1.193 -5.975 13.569 636 2HB ASP 90 3HB ASP 90 0.444 -6.054 14.189 637 H LYS 91 HN LYS 91 1.049 -6.059 16.007 638 HA LYS 91 HA LYS 91 1.337 -4.473 18.437 639 1HB LYS 91 2HB LYS 91 1.074 -6.377 19.882 640 2HB LYS 91 3HB LYS 91 -0.370 -6.204 18.905 641 1HG LYS 91 2HG LYS 91 0.390 -7.983 17.376 642 2HG LYS 91 3HG LYS 91 1.927 -8.093 18.210 643 1HD LYS 91 2HD LYS 91 -0.327 -8.371 20.079 644 2HD LYS 91 3HD LYS 91 -0.413 -9.560 18.794 645 1HE LYS 91 2HE LYS 91 1.907 -10.294 19.269 646 2HE LYS 91 3HE LYS 91 2.080 -9.045 20.486 647 1HZ LYS 91 1HZ LYS 91 -0.196 -10.404 21.142 648 2HZ LYS 91 2HZ LYS 91 0.871 -11.566 20.722 649 3HZ LYS 91 3HZ LYS 91 1.249 -10.497 21.897 650 H ASP 92 HN ASP 92 2.765 -5.359 15.752 651 HA ASP 92 HA ASP 92 5.293 -5.668 17.082 652 1HB ASP 92 2HB ASP 92 3.947 -7.831 15.630 653 2HB ASP 92 3HB ASP 92 5.466 -7.426 14.857 654 H GLY 93 HN GLY 93 3.615 -3.718 15.369 655 1HA GLY 93 1HA GLY 93 4.402 -2.049 13.980 656 2HA GLY 93 2HA GLY 93 5.725 -3.074 13.460 657 H VAL 94 HN VAL 94 3.969 -5.455 12.954 658 HA VAL 94 HA VAL 94 3.549 -5.213 10.296 659 HB VAL 94 HB VAL 94 1.931 -6.830 12.275 660 1HG1 VAL 94 1HG1 VAL 94 2.071 -8.385 10.072 661 2HG1 VAL 94 2HG1 VAL 94 0.731 -7.258 10.393 662 3HG1 VAL 94 3HG1 VAL 94 2.056 -6.779 9.305 663 1HG2 VAL 94 1HG2 VAL 94 4.674 -6.893 11.847 664 2HG2 VAL 94 2HG2 VAL 94 3.687 -8.192 12.558 665 3HG2 VAL 94 3HG2 VAL 94 4.059 -8.208 10.817 666 H ALA 95 HN ALA 95 2.654 -3.291 9.535 667 HA ALA 95 HA ALA 95 -0.002 -2.603 10.541 668 1HB ALA 95 1HB ALA 95 1.865 -1.054 8.703 669 2HB ALA 95 2HB ALA 95 0.403 -0.441 9.513 670 3HB ALA 95 3HB ALA 95 1.832 -0.887 10.475 671 H ASP 96 HN ASP 96 -1.744 -3.347 9.450 672 HA ASP 96 HA ASP 96 -1.299 -4.060 6.665 673 1HB ASP 96 2HB ASP 96 -3.109 -5.625 6.886 674 2HB ASP 96 3HB ASP 96 -2.117 -5.823 8.317 675 H VAL 97 HN VAL 97 -2.881 -3.312 5.068 676 HA VAL 97 HA VAL 97 -4.598 -1.147 6.072 677 HB VAL 97 HB VAL 97 -3.290 -1.415 3.359 678 1HG1 VAL 97 1HG1 VAL 97 -5.329 -0.132 3.229 679 2HG1 VAL 97 2HG1 VAL 97 -4.869 0.830 4.655 680 3HG1 VAL 97 3HG1 VAL 97 -3.948 0.987 3.140 681 1HG2 VAL 97 1HG2 VAL 97 -2.217 -0.488 5.891 682 2HG2 VAL 97 2HG2 VAL 97 -1.406 -0.696 4.320 683 3HG2 VAL 97 3HG2 VAL 97 -2.249 0.827 4.691 684 H SER 98 HN SER 98 -6.555 -0.753 4.591 685 HA SER 98 HA SER 98 -7.427 -2.685 2.849 686 1HB SER 98 2HB SER 98 -9.274 -3.684 4.382 687 2HB SER 98 3HB SER 98 -7.653 -4.338 4.514 688 HG SER 98 HG SER 98 -8.919 -3.669 6.561 689 H ILE 99 HN ILE 99 -7.821 -0.432 2.029 690 HA ILE 99 HA ILE 99 -10.413 0.530 3.005 691 HB ILE 99 HB ILE 99 -8.055 2.247 2.220 692 1HG1 ILE 99 2HG1 ILE 99 -9.268 2.301 4.950 693 2HG1 ILE 99 3HG1 ILE 99 -8.218 0.955 4.554 694 1HG2 ILE 99 1HG2 ILE 99 -10.036 3.354 1.528 695 2HG2 ILE 99 2HG2 ILE 99 -10.887 2.927 3.032 696 3HG2 ILE 99 3HG2 ILE 99 -9.546 4.096 3.070 697 1HD1 ILE 99 1HD1 ILE 99 -7.537 3.922 4.461 698 2HD1 ILE 99 2HD1 ILE 99 -6.802 2.664 5.483 699 3HD1 ILE 99 3HD1 ILE 99 -6.499 2.675 3.729 700 H GLU 100 HN GLU 100 -11.449 2.025 1.263 701 HA GLU 100 HA GLU 100 -10.686 1.055 -1.371 702 1HB GLU 100 2HB GLU 100 -13.521 1.125 -0.246 703 2HB GLU 100 3HB GLU 100 -13.132 0.808 -1.925 704 1HG GLU 100 2HG GLU 100 -13.179 -1.382 -1.196 705 2HG GLU 100 3HG GLU 100 -11.504 -1.039 -0.811 706 H ASP 101 HN ASP 101 -9.929 2.940 -2.283 707 HA ASP 101 HA ASP 101 -11.445 5.348 -1.749 708 1HB ASP 101 2HB ASP 101 -8.822 5.076 -1.626 709 2HB ASP 101 3HB ASP 101 -8.885 5.177 -3.375 710 H SER 102 HN SER 102 -13.066 5.756 -3.264 711 HA SER 102 HA SER 102 -12.674 4.700 -5.931 712 1HB SER 102 2HB SER 102 -15.017 4.777 -6.189 713 2HB SER 102 3HB SER 102 -14.814 4.339 -4.504 714 HG SER 102 HG SER 102 -15.599 6.862 -5.633 715 H VAL 103 HN VAL 103 -10.916 6.588 -5.933 716 HA VAL 103 HA VAL 103 -12.231 8.861 -7.211 717 HB VAL 103 HB VAL 103 -10.223 8.968 -4.961 718 1HG1 VAL 103 1HG1 VAL 103 -9.467 10.464 -6.759 719 2HG1 VAL 103 2HG1 VAL 103 -11.072 11.232 -6.801 720 3HG1 VAL 103 3HG1 VAL 103 -10.049 11.385 -5.352 721 1HG2 VAL 103 1HG2 VAL 103 -13.081 9.782 -5.333 722 2HG2 VAL 103 2HG2 VAL 103 -12.277 9.031 -3.934 723 3HG2 VAL 103 3HG2 VAL 103 -12.047 10.764 -4.268 724 H ILE 104 HN ILE 104 -9.159 7.108 -6.441 725 HA ILE 104 HA ILE 104 -7.930 8.168 -8.823 726 HB ILE 104 HB ILE 104 -5.962 7.130 -8.075 727 1HG1 ILE 104 2HG1 ILE 104 -7.437 4.976 -7.407 728 2HG1 ILE 104 3HG1 ILE 104 -5.781 5.223 -6.888 729 1HG2 ILE 104 1HG2 ILE 104 -7.517 8.083 -5.654 730 2HG2 ILE 104 2HG2 ILE 104 -5.747 7.923 -5.757 731 3HG2 ILE 104 3HG2 ILE 104 -6.596 9.096 -6.793 732 1HD1 ILE 104 1HD1 ILE 104 -7.127 4.632 -4.940 733 2HD1 ILE 104 2HD1 ILE 104 -6.648 6.340 -4.792 734 3HD1 ILE 104 3HD1 ILE 104 -8.299 5.920 -5.310 735 H SER 105 HN SER 105 -6.498 6.024 -9.839 736 HA SER 105 HA SER 105 -7.939 3.716 -10.210 737 1HB SER 105 2HB SER 105 -9.198 3.975 -12.151 738 2HB SER 105 3HB SER 105 -9.441 5.538 -11.397 739 HG SER 105 HG SER 105 -8.418 5.036 -13.828 740 H LEU 106 HN LEU 106 -6.841 2.271 -11.755 741 HA LEU 106 HA LEU 106 -4.170 3.276 -12.390 742 1HB LEU 106 2HB LEU 106 -4.063 0.591 -12.781 743 2HB LEU 106 3HB LEU 106 -3.616 1.428 -11.308 744 HG LEU 106 HG LEU 106 -6.377 0.294 -11.821 745 1HD1 LEU 106 1HD1 LEU 106 -5.626 -1.490 -10.172 746 2HD1 LEU 106 2HD1 LEU 106 -4.967 -1.594 -11.822 747 3HD1 LEU 106 3HD1 LEU 106 -3.962 -0.950 -10.501 748 1HD2 LEU 106 1HD2 LEU 106 -5.308 2.026 -9.796 749 2HD2 LEU 106 2HD2 LEU 106 -6.967 1.417 -10.003 750 3HD2 LEU 106 3HD2 LEU 106 -5.784 0.475 -9.064 751 H SER 107 HN SER 107 -6.391 4.141 -13.997 752 HA SER 107 HA SER 107 -5.788 2.642 -16.427 753 1HB SER 107 2HB SER 107 -8.345 3.431 -15.242 754 2HB SER 107 3HB SER 107 -8.184 4.085 -16.859 755 HG SER 107 HG SER 107 -8.768 1.541 -16.130 756 H GLY 108 HN GLY 108 -6.453 4.232 -18.446 757 1HA GLY 108 1HA GLY 108 -4.562 6.304 -18.437 758 2HA GLY 108 2HA GLY 108 -5.807 6.024 -19.637 759 H ASP 109 HN ASP 109 -4.999 7.680 -16.580 760 HA ASP 109 HA ASP 109 -6.312 9.947 -17.128 761 1HB ASP 109 2HB ASP 109 -8.220 7.893 -16.493 762 2HB ASP 109 3HB ASP 109 -8.184 8.988 -15.126 763 H HIS 110 HN HIS 110 -6.803 7.804 -14.218 764 HA HIS 110 HA HIS 110 -5.127 9.675 -12.717 765 1HB HIS 110 2HB HIS 110 -7.552 8.061 -12.022 766 2HB HIS 110 3HB HIS 110 -6.386 8.402 -10.759 767 HD1 HIS 110 HD1 HIS 110 -8.846 10.113 -13.066 768 HD2 HIS 110 HD2 HIS 110 -6.323 11.061 -9.852 769 HE1 HIS 110 HE1 HIS 110 -9.492 12.466 -12.320 770 H SER 111 HN SER 111 -4.373 7.280 -14.495 771 HA SER 111 HA SER 111 -3.738 5.053 -13.240 772 1HB SER 111 2HB SER 111 -1.947 4.768 -14.790 773 2HB SER 111 3HB SER 111 -3.095 5.813 -15.602 774 HG SER 111 HG SER 111 -1.788 7.653 -15.011 775 H ILE 112 HN ILE 112 -3.158 4.914 -11.078 776 HA ILE 112 HA ILE 112 -1.211 6.774 -10.029 777 HB ILE 112 HB ILE 112 -1.847 6.046 -7.930 778 1HG1 ILE 112 2HG1 ILE 112 -1.447 3.675 -8.170 779 2HG1 ILE 112 3HG1 ILE 112 -3.027 3.938 -7.458 780 1HG2 ILE 112 1HG2 ILE 112 -4.282 6.072 -7.913 781 2HG2 ILE 112 2HG2 ILE 112 -3.647 7.235 -9.101 782 3HG2 ILE 112 3HG2 ILE 112 -4.316 5.680 -9.649 783 1HD1 ILE 112 1HD1 ILE 112 -4.030 3.712 -9.793 784 2HD1 ILE 112 2HD1 ILE 112 -2.416 3.215 -10.356 785 3HD1 ILE 112 3HD1 ILE 112 -3.282 2.230 -9.152 786 H ILE 113 HN ILE 113 -1.151 3.890 -11.794 787 HA ILE 113 HA ILE 113 0.587 2.210 -10.650 788 HB ILE 113 HB ILE 113 0.514 3.194 -13.500 789 1HG1 ILE 113 2HG1 ILE 113 -1.573 2.201 -12.672 790 2HG1 ILE 113 3HG1 ILE 113 -0.827 1.218 -13.916 791 1HG2 ILE 113 1HG2 ILE 113 1.613 0.943 -13.978 792 2HG2 ILE 113 2HG2 ILE 113 2.650 2.231 -13.318 793 3HG2 ILE 113 3HG2 ILE 113 2.068 0.925 -12.258 794 1HD1 ILE 113 1HD1 ILE 113 -0.857 0.722 -10.915 795 2HD1 ILE 113 2HD1 ILE 113 -1.484 -0.324 -12.212 796 3HD1 ILE 113 3HD1 ILE 113 0.272 -0.127 -11.998 797 H GLY 114 HN GLY 114 2.279 2.718 -9.349 798 1HA GLY 114 1HA GLY 114 4.669 3.183 -9.537 799 2HA GLY 114 2HA GLY 114 4.260 4.628 -10.440 800 H ARG 115 HN ARG 115 2.318 3.508 -7.658 801 HA ARG 115 HA ARG 115 2.854 6.010 -6.394 802 1HB ARG 115 2HB ARG 115 0.933 3.717 -5.973 803 2HB ARG 115 3HB ARG 115 1.243 4.773 -4.609 804 1HG ARG 115 2HG ARG 115 0.470 5.852 -7.354 805 2HG ARG 115 3HG ARG 115 -0.728 5.418 -6.151 806 1HD ARG 115 2HD ARG 115 1.032 6.996 -4.672 807 2HD ARG 115 3HD ARG 115 1.079 7.770 -6.243 808 HE ARG 115 HE ARG 115 -1.163 7.752 -4.397 809 1HH1 ARG 115 2HH2 ARG 115 -0.337 7.863 -7.816 810 2HH1 ARG 115 1HH2 ARG 115 -1.803 8.664 -8.275 811 1HH2 ARG 115 2HH1 ARG 115 -3.097 8.808 -5.002 812 2HH2 ARG 115 1HH1 ARG 115 -3.383 9.205 -6.664 813 H THR 116 HN THR 116 4.475 6.296 -4.893 814 HA THR 116 HA THR 116 5.879 3.980 -3.901 815 HB THR 116 HB THR 116 6.207 7.006 -3.803 816 HG1 THR 116 1HG THR 116 6.856 5.571 -5.644 817 1HG2 THR 116 1HG2 THR 116 7.659 6.883 -2.045 818 2HG2 THR 116 2HG2 THR 116 7.145 5.200 -1.777 819 3HG2 THR 116 3HG2 THR 116 8.530 5.549 -2.839 820 H LEU 117 HN LEU 117 4.595 2.815 -2.504 821 HA LEU 117 HA LEU 117 3.118 4.155 -0.462 822 1HB LEU 117 2HB LEU 117 3.651 1.311 -1.236 823 2HB LEU 117 3HB LEU 117 2.963 1.668 0.336 824 HG LEU 117 HG LEU 117 1.324 1.089 -1.489 825 1HD1 LEU 117 1HD1 LEU 117 -0.142 2.059 -0.140 826 2HD1 LEU 117 2HD1 LEU 117 1.171 3.025 0.576 827 3HD1 LEU 117 3HD1 LEU 117 0.256 3.659 -0.812 828 1HD2 LEU 117 1HD2 LEU 117 0.694 2.911 -3.056 829 2HD2 LEU 117 2HD2 LEU 117 2.144 3.808 -2.544 830 3HD2 LEU 117 3HD2 LEU 117 2.313 2.235 -3.361 831 H VAL 118 HN VAL 118 4.465 5.384 0.851 832 HA VAL 118 HA VAL 118 6.570 3.859 2.222 833 HB VAL 118 HB VAL 118 7.391 5.685 0.821 834 1HG1 VAL 118 1HG1 VAL 118 5.499 7.364 2.482 835 2HG1 VAL 118 2HG1 VAL 118 6.883 8.064 1.608 836 3HG1 VAL 118 3HG1 VAL 118 5.597 7.222 0.711 837 1HG2 VAL 118 1HG2 VAL 118 7.691 6.602 3.680 838 2HG2 VAL 118 2HG2 VAL 118 8.368 5.048 3.135 839 3HG2 VAL 118 3HG2 VAL 118 8.901 6.567 2.375 840 H VAL 119 HN VAL 119 7.000 4.878 4.521 841 HA VAL 119 HA VAL 119 4.413 5.556 5.726 842 HB VAL 119 HB VAL 119 4.872 4.062 7.563 843 1HG1 VAL 119 1HG1 VAL 119 4.080 2.197 6.531 844 2HG1 VAL 119 2HG1 VAL 119 3.961 3.303 5.141 845 3HG1 VAL 119 3HG1 VAL 119 5.355 2.206 5.289 846 1HG2 VAL 119 1HG2 VAL 119 6.764 2.579 7.661 847 2HG2 VAL 119 2HG2 VAL 119 7.330 3.110 6.059 848 3HG2 VAL 119 3HG2 VAL 119 7.372 4.237 7.437 849 H HIS 120 HN HIS 120 5.328 5.833 8.375 850 HA HIS 120 HA HIS 120 7.524 7.738 8.129 851 1HB HIS 120 2HB HIS 120 4.718 8.291 8.955 852 2HB HIS 120 3HB HIS 120 5.979 9.039 9.915 853 HD1 HIS 120 HD1 HIS 120 7.081 11.114 8.973 854 HD2 HIS 120 HD2 HIS 120 4.833 9.028 6.110 855 HE1 HIS 120 HE1 HIS 120 7.018 12.595 6.896 856 H GLU 121 HN GLU 121 8.632 8.158 10.197 857 HA GLU 121 HA GLU 121 9.068 5.832 11.589 858 1HB GLU 121 2HB GLU 121 10.536 7.952 11.378 859 2HB GLU 121 3HB GLU 121 9.595 8.614 12.699 860 1HG GLU 121 2HG GLU 121 10.274 6.821 14.198 861 2HG GLU 121 3HG GLU 121 10.985 5.906 12.883 862 H LYS 122 HN LYS 122 6.890 8.609 12.260 863 HA LYS 122 HA LYS 122 5.679 6.979 14.374 864 1HB LYS 122 2HB LYS 122 7.183 9.255 14.871 865 2HB LYS 122 3HB LYS 122 5.542 9.868 14.852 866 1HG LYS 122 2HG LYS 122 4.919 7.914 16.413 867 2HG LYS 122 3HG LYS 122 6.636 7.598 16.570 868 1HD LYS 122 2HD LYS 122 6.390 10.385 17.002 869 2HD LYS 122 3HD LYS 122 5.012 9.692 17.834 870 1HE LYS 122 2HE LYS 122 7.612 8.260 18.233 871 2HE LYS 122 3HE LYS 122 7.521 9.866 18.929 872 1HZ LYS 122 1HZ LYS 122 6.254 9.066 20.521 873 2HZ LYS 122 2HZ LYS 122 5.151 8.489 19.464 874 3HZ LYS 122 3HZ LYS 122 6.413 7.556 19.918 875 H ALA 123 HN ALA 123 3.529 8.675 14.967 876 HA ALA 123 HA ALA 123 2.090 8.521 12.426 877 1HB ALA 123 1HB ALA 123 1.412 7.330 14.658 878 2HB ALA 123 2HB ALA 123 0.842 8.945 15.144 879 3HB ALA 123 3HB ALA 123 0.159 8.156 13.701 880 H ASP 124 HN ASP 124 0.538 10.283 11.906 881 HA ASP 124 HA ASP 124 1.827 12.781 12.370 882 1HB ASP 124 2HB ASP 124 1.025 12.680 10.185 883 2HB ASP 124 3HB ASP 124 -0.371 11.718 10.628 884 H ASP 125 HN ASP 125 -0.536 10.861 13.935 885 HA ASP 125 HA ASP 125 -1.887 11.202 15.598 886 1HB ASP 125 2HB ASP 125 0.031 13.074 16.068 887 2HB ASP 125 3HB ASP 125 -1.335 14.147 15.844 888 H LEU 126 HN LEU 126 -2.526 11.908 12.692 889 HA LEU 126 HA LEU 126 -4.241 12.643 11.513 890 1HB LEU 126 2HB LEU 126 -5.576 13.039 14.194 891 2HB LEU 126 3HB LEU 126 -6.384 13.102 12.640 892 HG LEU 126 HG LEU 126 -4.864 10.635 13.454 893 1HD1 LEU 126 1HD1 LEU 126 -7.728 11.254 14.228 894 2HD1 LEU 126 2HD1 LEU 126 -6.879 9.708 14.466 895 3HD1 LEU 126 3HD1 LEU 126 -6.341 11.162 15.339 896 1HD2 LEU 126 1HD2 LEU 126 -7.046 9.801 12.090 897 2HD2 LEU 126 2HD2 LEU 126 -6.804 11.406 11.359 898 3HD2 LEU 126 3HD2 LEU 126 -5.487 10.209 11.332 899 H GLY 127 HN GLY 127 -2.127 14.466 13.031 900 1HA GLY 127 1HA GLY 127 -1.635 16.619 12.157 901 2HA GLY 127 2HA GLY 127 -3.349 16.976 12.080 902 H LYS 128 HN LYS 128 -0.621 17.782 13.726 903 HA LYS 128 HA LYS 128 -1.907 17.881 16.346 904 1HB LYS 128 2HB LYS 128 0.952 18.580 15.633 905 2HB LYS 128 3HB LYS 128 0.282 18.326 17.231 906 1HG LYS 128 2HG LYS 128 0.172 16.004 16.981 907 2HG LYS 128 3HG LYS 128 -0.035 16.088 15.243 908 1HD LYS 128 2HD LYS 128 2.216 16.028 14.849 909 2HD LYS 128 3HD LYS 128 2.563 17.191 16.113 910 1HE LYS 128 2HE LYS 128 1.657 14.637 17.250 911 2HE LYS 128 3HE LYS 128 3.042 14.404 16.202 912 1HZ LYS 128 1HZ LYS 128 2.925 15.645 18.733 913 2HZ LYS 128 2HZ LYS 128 4.228 15.124 17.898 914 3HZ LYS 128 3HZ LYS 128 3.638 16.625 17.639 915 H GLY 129 HN GLY 129 -0.620 19.901 13.679 916 1HA GLY 129 1HA GLY 129 -1.613 21.960 13.144 917 2HA GLY 129 2HA GLY 129 -2.104 22.170 14.814 918 H GLY 130 HN GLY 130 1.091 20.882 14.568 919 1HA GLY 130 1HA GLY 130 2.308 23.053 15.824 920 2HA GLY 130 2HA GLY 130 3.122 21.743 14.993 921 H ASN 131 HN ASN 131 4.744 23.125 14.089 922 HA ASN 131 HA ASN 131 3.752 24.557 11.786 923 1HB ASN 131 2HB ASN 131 5.377 25.736 14.063 924 2HB ASN 131 3HB ASN 131 5.653 26.333 12.438 925 1HD2 ASN 131 1HD2 ASN 131 3.159 25.717 14.867 926 2HD2 ASN 131 2HD2 ASN 131 2.067 26.980 14.403 927 H GLU 132 HN GLU 132 5.263 24.429 10.022 928 HA GLU 132 HA GLU 132 6.840 23.495 8.845 929 1HB GLU 132 2HB GLU 132 8.064 25.183 10.740 930 2HB GLU 132 3HB GLU 132 9.057 23.739 10.753 931 1HG GLU 132 2HG GLU 132 8.850 23.957 8.092 932 2HG GLU 132 3HG GLU 132 8.489 25.631 8.466 933 H GLN 133 HN GLN 133 5.383 21.788 10.918 934 HA GLN 133 HA GLN 133 7.224 19.564 10.708 935 1HB GLN 133 2HB GLN 133 6.819 20.882 13.145 936 2HB GLN 133 3HB GLN 133 5.724 19.519 13.245 937 1HG GLN 133 2HG GLN 133 7.686 18.539 14.046 938 2HG GLN 133 3HG GLN 133 7.801 18.129 12.347 939 1HE2 GLN 133 1HE2 GLN 133 9.800 18.284 11.695 940 2HE2 GLN 133 2HE2 GLN 133 10.924 19.557 12.040 941 H SER 134 HN SER 134 4.037 20.131 12.363 942 HA SER 134 HA SER 134 3.001 17.808 11.103 943 1HB SER 134 2HB SER 134 0.881 19.278 12.300 944 2HB SER 134 3HB SER 134 1.706 17.875 12.949 945 HG SER 134 HG SER 134 2.516 19.156 14.448 946 H THR 135 HN THR 135 3.367 21.105 10.227 947 HA THR 135 HA THR 135 0.938 21.293 8.678 948 HB THR 135 HB THR 135 1.774 23.534 8.207 949 HG1 THR 135 1HG THR 135 4.247 22.657 9.486 950 1HG2 THR 135 1HG2 THR 135 2.913 22.845 10.961 951 2HG2 THR 135 2HG2 THR 135 2.307 24.424 10.406 952 3HG2 THR 135 3HG2 THR 135 1.172 23.079 10.673 953 H LYS 136 HN LYS 136 4.128 19.970 8.280 954 HA LYS 136 HA LYS 136 3.699 19.940 5.375 955 1HB LYS 136 2HB LYS 136 5.729 21.029 5.705 956 2HB LYS 136 3HB LYS 136 6.175 20.032 7.075 957 1HG LYS 136 2HG LYS 136 7.164 18.470 5.746 958 2HG LYS 136 3HG LYS 136 5.780 18.391 4.675 959 1HD LYS 136 2HD LYS 136 6.892 20.903 4.095 960 2HD LYS 136 3HD LYS 136 8.301 19.897 4.369 961 1HE LYS 136 2HE LYS 136 7.380 18.206 2.741 962 2HE LYS 136 3HE LYS 136 6.016 19.264 2.439 963 1HZ LYS 136 1HZ LYS 136 8.281 19.346 1.077 964 2HZ LYS 136 2HZ LYS 136 7.271 20.621 1.217 965 3HZ LYS 136 3HZ LYS 136 8.585 20.511 2.181 966 H THR 137 HN THR 137 4.225 18.047 8.345 967 HA THR 137 HA THR 137 3.532 15.651 6.799 968 HB THR 137 HB THR 137 5.289 14.413 8.088 969 HG1 THR 137 1HG THR 137 6.032 17.140 8.861 970 1HG2 THR 137 1HG2 THR 137 7.313 15.424 7.087 971 2HG2 THR 137 2HG2 THR 137 5.986 15.476 5.901 972 3HG2 THR 137 3HG2 THR 137 6.435 16.945 6.799 973 H GLY 138 HN GLY 138 4.500 15.557 10.185 974 1HA GLY 138 1HA GLY 138 2.003 16.104 11.356 975 2HA GLY 138 2HA GLY 138 2.090 14.390 11.002 976 H ASN 139 HN ASN 139 4.909 16.482 11.784 977 HA ASN 139 HA ASN 139 6.480 16.216 13.276 978 1HB ASN 139 2HB ASN 139 4.377 17.259 14.542 979 2HB ASN 139 3HB ASN 139 4.350 15.725 15.388 980 1HD2 ASN 139 1HD2 ASN 139 5.088 18.628 16.025 981 2HD2 ASN 139 2HD2 ASN 139 6.592 18.528 16.878 982 H ALA 140 HN ALA 140 5.407 13.689 12.010 983 HA ALA 140 HA ALA 140 5.475 11.722 14.119 984 1HB ALA 140 1HB ALA 140 4.272 10.581 12.605 985 2HB ALA 140 2HB ALA 140 4.455 11.933 11.462 986 3HB ALA 140 3HB ALA 140 5.642 10.607 11.470 987 H GLY 141 HN GLY 141 7.379 12.298 11.069 988 1HA GLY 141 1HA GLY 141 9.890 12.244 12.278 989 2HA GLY 141 2HA GLY 141 9.500 10.595 11.830 990 H SER 142 HN SER 142 9.450 9.963 9.637 991 HA SER 142 HA SER 142 9.335 11.802 7.556 992 1HB SER 142 2HB SER 142 11.685 12.260 8.511 993 2HB SER 142 3HB SER 142 12.129 10.659 7.954 994 HG SER 142 HG SER 142 12.442 11.512 6.026 995 H ARG 143 HN ARG 143 10.158 10.593 5.392 996 HA ARG 143 HA ARG 143 8.744 8.213 5.331 997 1HB ARG 143 2HB ARG 143 10.591 9.665 3.419 998 2HB ARG 143 3HB ARG 143 10.089 8.035 3.017 999 1HG ARG 143 2HG ARG 143 8.438 9.405 1.994 1000 2HG ARG 143 3HG ARG 143 7.660 8.834 3.456 1001 1HD ARG 143 2HD ARG 143 7.243 11.226 3.283 1002 2HD ARG 143 3HD ARG 143 8.354 10.977 4.615 1003 HE ARG 143 HE ARG 143 9.778 11.418 2.120 1004 1HH1 ARG 143 2HH2 ARG 143 8.080 13.066 4.724 1005 2HH1 ARG 143 1HH2 ARG 143 8.927 14.560 4.502 1006 1HH2 ARG 143 2HH1 ARG 143 10.895 13.389 1.826 1007 2HH2 ARG 143 1HH1 ARG 143 10.539 14.746 2.843 1008 H LEU 144 HN LEU 144 9.654 6.032 4.594 1009 HA LEU 144 HA LEU 144 12.392 5.477 4.862 1010 1HB LEU 144 2HB LEU 144 12.087 4.027 6.960 1011 2HB LEU 144 3HB LEU 144 12.376 5.747 7.133 1012 HG LEU 144 HG LEU 144 9.647 5.697 7.122 1013 1HD1 LEU 144 1HD1 LEU 144 9.208 3.426 7.119 1014 2HD1 LEU 144 2HD1 LEU 144 10.605 3.042 8.152 1015 3HD1 LEU 144 3HD1 LEU 144 9.166 3.818 8.854 1016 1HD2 LEU 144 1HD2 LEU 144 11.384 5.337 9.578 1017 2HD2 LEU 144 2HD2 LEU 144 11.164 6.867 8.696 1018 3HD2 LEU 144 3HD2 LEU 144 9.775 6.094 9.498 1019 H ALA 145 HN ALA 145 10.573 5.004 2.856 1020 HA ALA 145 HA ALA 145 10.856 2.299 2.409 1021 1HB ALA 145 1HB ALA 145 8.818 2.738 4.280 1022 2HB ALA 145 2HB ALA 145 7.958 2.516 2.738 1023 3HB ALA 145 3HB ALA 145 9.076 1.261 3.321 1024 H CYS 146 HN CYS 146 9.910 1.674 0.317 1025 HA CYS 146 HA CYS 146 8.436 3.673 -1.102 1026 1HB CYS 146 2HB CYS 146 10.482 4.719 -1.506 1027 2HB CYS 146 3HB CYS 146 11.346 3.204 -1.677 1028 H GLY 147 HN GLY 147 7.307 1.399 -0.583 1029 1HA GLY 147 1HA GLY 147 7.991 -0.966 -1.775 1030 2HA GLY 147 2HA GLY 147 6.349 -0.414 -1.513 1031 H VAL 148 HN VAL 148 6.039 1.743 -3.221 1032 HA VAL 148 HA VAL 148 5.619 2.291 -5.319 1033 HB VAL 148 HB VAL 148 8.189 0.784 -5.616 1034 1HG1 VAL 148 1HG1 VAL 148 6.467 1.811 -7.890 1035 2HG1 VAL 148 2HG1 VAL 148 8.214 1.505 -8.041 1036 3HG1 VAL 148 3HG1 VAL 148 7.106 0.167 -7.653 1037 1HG2 VAL 148 1HG2 VAL 148 7.896 3.213 -4.757 1038 2HG2 VAL 148 2HG2 VAL 148 9.143 2.886 -5.984 1039 3HG2 VAL 148 3HG2 VAL 148 7.592 3.617 -6.463 1040 H ILE 149 HN ILE 149 3.968 1.621 -6.616 1041 HA ILE 149 HA ILE 149 3.019 -1.019 -6.334 1042 HB ILE 149 HB ILE 149 2.204 1.060 -8.363 1043 1HG1 ILE 149 2HG1 ILE 149 2.157 2.171 -6.256 1044 2HG1 ILE 149 3HG1 ILE 149 0.506 1.739 -6.655 1045 1HG2 ILE 149 1HG2 ILE 149 0.336 -0.899 -7.091 1046 2HG2 ILE 149 2HG2 ILE 149 0.276 -0.127 -8.694 1047 3HG2 ILE 149 3HG2 ILE 149 1.417 -1.459 -8.390 1048 1HD1 ILE 149 1HD1 ILE 149 0.744 -0.329 -5.218 1049 2HD1 ILE 149 2HD1 ILE 149 2.355 0.254 -4.734 1050 3HD1 ILE 149 3HD1 ILE 149 0.904 1.195 -4.311 1051 H GLY 150 HN GLY 150 3.088 -2.793 -7.723 1052 1HA GLY 150 1HA GLY 150 4.641 -2.481 -10.202 1053 2HA GLY 150 2HA GLY 150 5.161 -3.647 -9.002 1054 H ILE 151 HN ILE 151 2.960 -2.981 -11.612 1055 HA ILE 151 HA ILE 151 0.806 -4.512 -11.244 1056 HB ILE 151 HB ILE 151 2.573 -4.192 -13.656 1057 1HG1 ILE 151 2HG1 ILE 151 1.357 -2.217 -12.698 1058 2HG1 ILE 151 3HG1 ILE 151 0.976 -2.586 -14.368 1059 1HG2 ILE 151 1HG2 ILE 151 0.055 -5.809 -13.364 1060 2HG2 ILE 151 2HG2 ILE 151 0.446 -4.999 -14.900 1061 3HG2 ILE 151 3HG2 ILE 151 1.566 -6.203 -14.219 1062 1HD1 ILE 151 1HD1 ILE 151 -1.213 -2.739 -13.823 1063 2HD1 ILE 151 2HD1 ILE 151 -0.839 -4.108 -12.749 1064 3HD1 ILE 151 3HD1 ILE 151 -0.816 -2.446 -12.113 1065 H ALA 152 HN ALA 152 0.350 -6.565 -10.657 1066 HA ALA 152 HA ALA 152 2.557 -8.418 -10.453 1067 1HB ALA 152 1HB ALA 152 1.213 -9.543 -8.939 1068 2HB ALA 152 2HB ALA 152 0.549 -7.898 -8.788 1069 3HB ALA 152 3HB ALA 152 -0.291 -9.109 -9.786 1070 H GLN 153 HN GLN 153 1.838 -10.848 -11.036 1071 HA GLN 153 HA GLN 153 0.925 -10.664 -13.797 1072 1HB GLN 153 2HB GLN 153 3.162 -11.486 -13.778 1073 2HB GLN 153 3HB GLN 153 2.871 -12.523 -12.396 1074 1HG GLN 153 2HG GLN 153 1.384 -13.970 -13.748 1075 2HG GLN 153 3HG GLN 153 1.548 -12.899 -15.125 1076 1HE2 GLN 153 1HE2 GLN 153 2.716 -15.610 -13.563 1077 2HE2 GLN 153 2HE2 GLN 153 4.216 -15.835 -14.400 Start of MODEL 5 1 1H ALA 1 HN ALA 1 -8.136 -4.790 -11.427 2 HA ALA 1 HA ALA 1 -8.955 -6.649 -13.281 3 1HB ALA 1 1HB ALA 1 -9.855 -4.717 -14.547 4 2HB ALA 1 2HB ALA 1 -8.233 -3.985 -14.569 5 3HB ALA 1 3HB ALA 1 -8.529 -5.519 -15.423 6 H THR 2 HN THR 2 -6.522 -3.978 -12.885 7 HA THR 2 HA THR 2 -4.414 -5.975 -13.284 8 HB THR 2 HB THR 2 -4.031 -2.969 -13.057 9 HG1 THR 2 1HG THR 2 -4.850 -4.586 -15.367 10 1HG2 THR 2 1HG2 THR 2 -2.795 -5.178 -14.786 11 2HG2 THR 2 2HG2 THR 2 -2.372 -3.452 -14.884 12 3HG2 THR 2 3HG2 THR 2 -2.008 -4.375 -13.406 13 H LYS 3 HN LYS 3 -3.730 -7.007 -11.519 14 HA LYS 3 HA LYS 3 -4.002 -5.692 -8.957 15 1HB LYS 3 2HB LYS 3 -4.697 -8.011 -9.157 16 2HB LYS 3 3HB LYS 3 -3.117 -8.481 -9.749 17 1HG LYS 3 2HG LYS 3 -2.848 -7.007 -7.240 18 2HG LYS 3 3HG LYS 3 -3.969 -8.338 -7.037 19 1HD LYS 3 2HD LYS 3 -2.185 -9.811 -8.225 20 2HD LYS 3 3HD LYS 3 -1.080 -8.472 -7.992 21 1HE LYS 3 2HE LYS 3 -0.649 -9.418 -5.957 22 2HE LYS 3 3HE LYS 3 -2.169 -8.703 -5.457 23 1HZ LYS 3 1HZ LYS 3 -3.250 -10.682 -5.694 24 2HZ LYS 3 2HZ LYS 3 -2.193 -11.298 -6.777 25 3HZ LYS 3 3HZ LYS 3 -1.787 -11.212 -5.197 26 H ALA 4 HN ALA 4 -2.496 -4.153 -8.522 27 HA ALA 4 HA ALA 4 0.211 -4.552 -9.486 28 1HB ALA 4 1HB ALA 4 -0.839 -2.360 -9.761 29 2HB ALA 4 2HB ALA 4 -1.158 -2.265 -8.013 30 3HB ALA 4 3HB ALA 4 0.517 -2.236 -8.615 31 H VAL 5 HN VAL 5 2.071 -4.300 -7.974 32 HA VAL 5 HA VAL 5 1.378 -5.172 -5.259 33 HB VAL 5 HB VAL 5 3.818 -6.202 -6.652 34 1HG1 VAL 5 1HG1 VAL 5 3.281 -8.181 -5.145 35 2HG1 VAL 5 2HG1 VAL 5 3.738 -6.669 -4.324 36 3HG1 VAL 5 3HG1 VAL 5 2.028 -7.157 -4.403 37 1HG2 VAL 5 1HG2 VAL 5 2.056 -8.273 -6.975 38 2HG2 VAL 5 2HG2 VAL 5 1.030 -6.868 -7.351 39 3HG2 VAL 5 3HG2 VAL 5 2.539 -7.136 -8.256 40 H ALA 6 HN ALA 6 2.915 -4.520 -3.611 41 HA ALA 6 HA ALA 6 5.007 -2.701 -4.447 42 1HB ALA 6 1HB ALA 6 2.423 -1.865 -3.204 43 2HB ALA 6 2HB ALA 6 3.904 -1.126 -2.550 44 3HB ALA 6 3HB ALA 6 3.519 -0.965 -4.280 45 H VAL 7 HN VAL 7 6.457 -4.243 -3.569 46 HA VAL 7 HA VAL 7 6.048 -5.097 -0.843 47 HB VAL 7 HB VAL 7 8.098 -6.374 -1.222 48 1HG1 VAL 7 1HG1 VAL 7 6.854 -7.108 -3.730 49 2HG1 VAL 7 2HG1 VAL 7 6.837 -7.956 -2.165 50 3HG1 VAL 7 3HG1 VAL 7 5.617 -6.708 -2.515 51 1HG2 VAL 7 1HG2 VAL 7 9.617 -5.509 -2.625 52 2HG2 VAL 7 2HG2 VAL 7 8.628 -6.189 -3.939 53 3HG2 VAL 7 3HG2 VAL 7 8.407 -4.493 -3.444 54 H LEU 8 HN LEU 8 6.427 -3.639 0.753 55 HA LEU 8 HA LEU 8 7.928 -1.346 0.477 56 1HB LEU 8 2HB LEU 8 6.944 -2.964 2.791 57 2HB LEU 8 3HB LEU 8 8.047 -1.636 3.087 58 HG LEU 8 HG LEU 8 5.673 -1.018 3.368 59 1HD1 LEU 8 1HD1 LEU 8 7.583 0.351 1.605 60 2HD1 LEU 8 2HD1 LEU 8 5.894 0.875 1.399 61 3HD1 LEU 8 3HD1 LEU 8 6.661 0.956 3.003 62 1HD2 LEU 8 1HD2 LEU 8 5.418 -1.424 0.377 63 2HD2 LEU 8 2HD2 LEU 8 4.767 -2.525 1.615 64 3HD2 LEU 8 3HD2 LEU 8 4.161 -0.856 1.501 65 H LYS 9 HN LYS 9 10.070 -0.760 0.894 66 HA LYS 9 HA LYS 9 11.935 -2.409 2.123 67 1HB LYS 9 2HB LYS 9 13.231 -3.234 0.216 68 2HB LYS 9 3HB LYS 9 11.628 -3.940 0.261 69 1HG LYS 9 2HG LYS 9 10.937 -2.002 -1.356 70 2HG LYS 9 3HG LYS 9 12.657 -1.755 -1.588 71 1HD LYS 9 2HD LYS 9 12.961 -3.989 -2.469 72 2HD LYS 9 3HD LYS 9 11.368 -4.493 -1.940 73 1HE LYS 9 2HE LYS 9 10.288 -2.992 -3.561 74 2HE LYS 9 3HE LYS 9 11.831 -2.290 -4.004 75 1HZ LYS 9 1HZ LYS 9 12.411 -4.733 -4.530 76 2HZ LYS 9 2HZ LYS 9 10.793 -4.931 -4.626 77 3HZ LYS 9 3HZ LYS 9 11.543 -3.858 -5.603 78 H GLY 10 HN GLY 10 13.609 -1.107 2.719 79 1HA GLY 10 1HA GLY 10 14.884 0.778 1.156 80 2HA GLY 10 2HA GLY 10 13.562 1.629 1.931 81 H ASP 11 HN ASP 11 13.439 1.695 4.304 82 HA ASP 11 HA ASP 11 15.649 2.416 5.542 83 1HB ASP 11 2HB ASP 11 13.347 2.509 6.505 84 2HB ASP 11 3HB ASP 11 13.388 0.780 6.785 85 H GLY 12 HN GLY 12 14.382 -0.946 5.174 86 1HA GLY 12 1HA GLY 12 16.216 -2.599 4.850 87 2HA GLY 12 2HA GLY 12 16.899 -1.978 6.339 88 HA PRO 13 HA PRO 13 14.135 -4.378 8.698 89 1HB PRO 13 2HB PRO 13 12.981 -2.750 10.564 90 2HB PRO 13 3HB PRO 13 14.621 -3.350 10.699 91 1HG PRO 13 2HG PRO 13 13.693 -0.640 9.966 92 2HG PRO 13 3HG PRO 13 15.278 -1.146 10.515 93 1HD PRO 13 2HD PRO 13 14.515 -0.518 7.823 94 2HD PRO 13 3HD PRO 13 16.066 -1.134 8.355 95 H VAL 14 HN VAL 14 12.616 -1.638 7.256 96 HA VAL 14 HA VAL 14 9.989 -2.754 7.626 97 HB VAL 14 HB VAL 14 11.138 -0.332 6.260 98 1HG1 VAL 14 1HG1 VAL 14 8.745 0.332 5.792 99 2HG1 VAL 14 2HG1 VAL 14 9.383 -0.981 4.774 100 3HG1 VAL 14 3HG1 VAL 14 8.288 -1.356 6.126 101 1HG2 VAL 14 1HG2 VAL 14 9.456 0.743 7.914 102 2HG2 VAL 14 2HG2 VAL 14 9.444 -0.853 8.701 103 3HG2 VAL 14 3HG2 VAL 14 10.966 0.058 8.559 104 H GLN 15 HN GLN 15 9.422 -4.544 6.496 105 HA GLN 15 HA GLN 15 10.141 -4.522 3.672 106 1HB GLN 15 2HB GLN 15 11.527 -6.150 5.081 107 2HB GLN 15 3HB GLN 15 10.047 -7.033 5.394 108 1HG GLN 15 2HG GLN 15 9.887 -6.813 2.666 109 2HG GLN 15 3HG GLN 15 11.628 -6.811 2.862 110 1HE2 GLN 15 1HE2 GLN 15 8.681 -8.506 3.876 111 2HE2 GLN 15 2HE2 GLN 15 9.353 -10.101 3.956 112 H GLY 16 HN GLY 16 7.728 -3.482 4.816 113 1HA GLY 16 1HA GLY 16 5.598 -5.216 5.061 114 2HA GLY 16 2HA GLY 16 5.509 -3.569 4.468 115 H ILE 17 HN ILE 17 3.734 -5.449 3.452 116 HA ILE 17 HA ILE 17 4.605 -5.523 0.684 117 HB ILE 17 HB ILE 17 3.459 -7.995 1.965 118 1HG1 ILE 17 2HG1 ILE 17 6.387 -7.443 1.401 119 2HG1 ILE 17 3HG1 ILE 17 5.658 -7.437 2.995 120 1HG2 ILE 17 1HG2 ILE 17 3.415 -8.846 -0.088 121 2HG2 ILE 17 2HG2 ILE 17 3.716 -7.199 -0.692 122 3HG2 ILE 17 3HG2 ILE 17 5.079 -8.312 -0.425 123 1HD1 ILE 17 1HD1 ILE 17 6.376 -9.729 1.258 124 2HD1 ILE 17 2HD1 ILE 17 6.209 -9.652 3.029 125 3HD1 ILE 17 3HD1 ILE 17 4.767 -9.864 2.007 126 H ILE 18 HN ILE 18 3.086 -4.271 -0.263 127 HA ILE 18 HA ILE 18 0.301 -4.873 0.420 128 HB ILE 18 HB ILE 18 0.566 -2.918 1.598 129 1HG1 ILE 18 2HG1 ILE 18 -1.156 -2.892 -0.404 130 2HG1 ILE 18 3HG1 ILE 18 -0.923 -1.491 0.622 131 1HG2 ILE 18 1HG2 ILE 18 2.278 -1.785 -0.632 132 2HG2 ILE 18 2HG2 ILE 18 1.873 -0.986 0.906 133 3HG2 ILE 18 3HG2 ILE 18 2.877 -2.456 0.903 134 1HD1 ILE 18 1HD1 ILE 18 -0.908 -0.898 -1.805 135 2HD1 ILE 18 2HD1 ILE 18 0.634 -0.495 -1.012 136 3HD1 ILE 18 3HD1 ILE 18 0.512 -1.946 -2.035 137 H ASN 19 HN ASN 19 -1.146 -4.851 -1.328 138 HA ASN 19 HA ASN 19 0.169 -4.440 -3.899 139 1HB ASN 19 2HB ASN 19 -2.206 -6.223 -3.899 140 2HB ASN 19 3HB ASN 19 -0.648 -6.458 -4.667 141 1HD2 ASN 19 1HD2 ASN 19 -2.590 -7.944 -2.723 142 2HD2 ASN 19 2HD2 ASN 19 -1.535 -8.669 -1.556 143 H PHE 20 HN PHE 20 -1.557 -3.956 -5.696 144 HA PHE 20 HA PHE 20 -3.860 -2.560 -4.538 145 1HB PHE 20 2HB PHE 20 -1.546 -1.642 -6.190 146 2HB PHE 20 3HB PHE 20 -3.087 -1.196 -6.894 147 HD1 PHE 20 1HD PHE 20 -1.091 -0.946 -3.774 148 HD2 PHE 20 2HD PHE 20 -4.285 0.645 -6.071 149 HE1 PHE 20 1HE PHE 20 -1.234 1.016 -2.216 150 HE2 PHE 20 2HE PHE 20 -4.428 2.608 -4.513 151 HZ PHE 20 HZ PHE 20 -2.901 2.770 -2.604 152 H GLU 21 HN GLU 21 -5.560 -3.825 -5.194 153 HA GLU 21 HA GLU 21 -5.529 -4.587 -8.011 154 1HB GLU 21 2HB GLU 21 -5.467 -6.460 -6.260 155 2HB GLU 21 3HB GLU 21 -7.085 -5.975 -5.791 156 1HG GLU 21 2HG GLU 21 -8.045 -6.692 -7.804 157 2HG GLU 21 3HG GLU 21 -6.572 -6.448 -8.723 158 H GLN 22 HN GLN 22 -7.260 -3.957 -9.301 159 HA GLN 22 HA GLN 22 -9.472 -2.698 -7.883 160 1HB GLN 22 2HB GLN 22 -7.905 -0.981 -8.837 161 2HB GLN 22 3HB GLN 22 -8.168 -1.652 -10.434 162 1HG GLN 22 2HG GLN 22 -10.695 -1.244 -10.036 163 2HG GLN 22 3HG GLN 22 -10.224 -0.304 -8.633 164 1HE2 GLN 22 1HE2 GLN 22 -11.057 -0.111 -11.769 165 2HE2 GLN 22 2HE2 GLN 22 -10.282 1.361 -12.253 166 H LYS 23 HN LYS 23 -9.995 -5.192 -8.370 167 HA LYS 23 HA LYS 23 -10.687 -5.799 -11.052 168 1HB LYS 23 2HB LYS 23 -10.635 -7.129 -8.463 169 2HB LYS 23 3HB LYS 23 -12.090 -7.528 -9.353 170 1HG LYS 23 2HG LYS 23 -10.782 -8.234 -11.305 171 2HG LYS 23 3HG LYS 23 -9.296 -7.656 -10.577 172 1HD LYS 23 2HD LYS 23 -9.123 -9.893 -9.996 173 2HD LYS 23 3HD LYS 23 -10.013 -9.325 -8.597 174 1HE LYS 23 2HE LYS 23 -12.104 -9.840 -10.291 175 2HE LYS 23 3HE LYS 23 -10.949 -11.015 -10.887 176 1HZ LYS 23 1HZ LYS 23 -11.931 -10.752 -8.135 177 2HZ LYS 23 2HZ LYS 23 -12.157 -12.007 -9.156 178 3HZ LYS 23 3HZ LYS 23 -10.673 -11.713 -8.541 179 H GLU 24 HN GLU 24 -11.815 -3.570 -11.271 180 HA GLU 24 HA GLU 24 -14.625 -4.114 -10.910 181 1HB GLU 24 2HB GLU 24 -13.123 -2.011 -9.468 182 2HB GLU 24 3HB GLU 24 -14.522 -1.395 -10.324 183 1HG GLU 24 2HG GLU 24 -15.775 -2.116 -8.571 184 2HG GLU 24 3HG GLU 24 -15.497 -3.745 -9.153 185 H SER 25 HN SER 25 -12.231 -1.607 -12.026 186 HA SER 25 HA SER 25 -11.868 -0.899 -14.088 187 1HB SER 25 2HB SER 25 -13.103 -3.083 -14.860 188 2HB SER 25 3HB SER 25 -14.485 -2.037 -15.117 189 HG SER 25 HG SER 25 -13.538 -1.121 -16.836 190 H ASN 26 HN ASN 26 -14.681 -0.504 -12.149 191 HA ASN 26 HA ASN 26 -14.900 2.201 -13.064 192 1HB ASN 26 2HB ASN 26 -17.018 0.119 -13.518 193 2HB ASN 26 3HB ASN 26 -17.590 1.651 -12.888 194 1HD2 ASN 26 1HD2 ASN 26 -17.260 0.009 -15.606 195 2HD2 ASN 26 2HD2 ASN 26 -16.961 1.256 -16.771 196 H GLY 27 HN GLY 27 -14.093 0.492 -10.651 197 1HA GLY 27 1HA GLY 27 -15.901 1.756 -8.687 198 2HA GLY 27 2HA GLY 27 -15.441 0.071 -8.544 199 HA PRO 28 HA PRO 28 -12.270 2.558 -6.411 200 1HB PRO 28 2HB PRO 28 -12.551 1.497 -3.908 201 2HB PRO 28 3HB PRO 28 -13.340 2.977 -4.416 202 1HG PRO 28 2HG PRO 28 -14.509 0.288 -4.042 203 2HG PRO 28 3HG PRO 28 -15.324 1.837 -4.129 204 1HD PRO 28 2HD PRO 28 -15.180 -0.144 -6.198 205 2HD PRO 28 3HD PRO 28 -15.894 1.451 -6.322 206 H VAL 29 HN VAL 29 -10.157 1.991 -5.585 207 HA VAL 29 HA VAL 29 -9.474 -0.618 -6.639 208 HB VAL 29 HB VAL 29 -7.757 1.604 -5.516 209 1HG1 VAL 29 1HG1 VAL 29 -6.094 0.306 -7.143 210 2HG1 VAL 29 2HG1 VAL 29 -6.316 -0.176 -5.444 211 3HG1 VAL 29 3HG1 VAL 29 -7.161 -1.060 -6.737 212 1HG2 VAL 29 1HG2 VAL 29 -8.236 2.715 -7.395 213 2HG2 VAL 29 2HG2 VAL 29 -7.388 1.431 -8.289 214 3HG2 VAL 29 3HG2 VAL 29 -9.149 1.336 -8.053 215 H LYS 30 HN LYS 30 -9.150 -2.413 -5.417 216 HA LYS 30 HA LYS 30 -9.589 -2.196 -2.594 217 1HB LYS 30 2HB LYS 30 -9.582 -4.296 -4.643 218 2HB LYS 30 3HB LYS 30 -8.864 -4.816 -3.132 219 1HG LYS 30 2HG LYS 30 -10.914 -3.853 -1.932 220 2HG LYS 30 3HG LYS 30 -11.635 -3.591 -3.508 221 1HD LYS 30 2HD LYS 30 -11.565 -5.985 -4.017 222 2HD LYS 30 3HD LYS 30 -10.624 -6.316 -2.576 223 1HE LYS 30 2HE LYS 30 -12.485 -5.720 -1.121 224 2HE LYS 30 3HE LYS 30 -13.406 -5.069 -2.461 225 1HZ LYS 30 1HZ LYS 30 -14.261 -7.153 -2.235 226 2HZ LYS 30 2HZ LYS 30 -13.136 -7.437 -3.384 227 3HZ LYS 30 3HZ LYS 30 -12.841 -7.852 -1.833 228 H VAL 31 HN VAL 31 -7.898 -1.085 -1.615 229 HA VAL 31 HA VAL 31 -5.202 -2.052 -2.164 230 HB VAL 31 HB VAL 31 -6.054 0.268 -0.433 231 1HG1 VAL 31 1HG1 VAL 31 -3.793 -0.210 -0.020 232 2HG1 VAL 31 2HG1 VAL 31 -3.467 -0.605 -1.725 233 3HG1 VAL 31 3HG1 VAL 31 -3.742 1.085 -1.241 234 1HG2 VAL 31 1HG2 VAL 31 -5.589 1.690 -2.459 235 2HG2 VAL 31 2HG2 VAL 31 -5.589 0.198 -3.430 236 3HG2 VAL 31 3HG2 VAL 31 -7.062 0.698 -2.564 237 H TRP 32 HN TRP 32 -4.138 -3.401 -0.793 238 HA TRP 32 HA TRP 32 -4.794 -3.415 2.003 239 1HB TRP 32 2HB TRP 32 -5.795 -5.437 2.232 240 2HB TRP 32 3HB TRP 32 -6.494 -4.922 0.710 241 HD1 TRP 32 HD1 TRP 32 -3.591 -7.231 1.927 242 HE1 TRP 32 HE1 TRP 32 -3.206 -9.211 0.225 243 HE3 TRP 32 HE3 TRP 32 -6.980 -5.632 -1.511 244 HZ2 TRP 32 HZ2 TRP 32 -4.337 -9.871 -2.311 245 HZ3 TRP 32 HZ3 TRP 32 -7.278 -7.002 -3.572 246 HH2 TRP 32 HH2 TRP 32 -6.023 -9.055 -3.999 247 H GLY 33 HN GLY 33 -3.174 -4.738 3.199 248 1HA GLY 33 1HA GLY 33 -1.097 -6.140 1.962 249 2HA GLY 33 2HA GLY 33 -0.588 -4.470 2.113 250 H SER 34 HN SER 34 1.075 -5.569 3.587 251 HA SER 34 HA SER 34 0.161 -5.211 6.262 252 1HB SER 34 2HB SER 34 1.015 -7.444 7.046 253 2HB SER 34 3HB SER 34 -0.420 -7.554 6.047 254 HG SER 34 HG SER 34 1.606 -7.673 4.321 255 H ILE 35 HN ILE 35 1.773 -4.051 7.252 256 HA ILE 35 HA ILE 35 4.364 -3.983 5.981 257 HB ILE 35 HB ILE 35 2.749 -2.260 7.648 258 1HG1 ILE 35 2HG1 ILE 35 5.279 -1.490 6.213 259 2HG1 ILE 35 3HG1 ILE 35 3.861 -1.964 5.300 260 1HG2 ILE 35 1HG2 ILE 35 4.498 -1.269 9.002 261 2HG2 ILE 35 2HG2 ILE 35 4.304 -2.989 9.420 262 3HG2 ILE 35 3HG2 ILE 35 5.675 -2.467 8.412 263 1HD1 ILE 35 1HD1 ILE 35 4.230 0.408 7.135 264 2HD1 ILE 35 2HD1 ILE 35 3.533 0.348 5.498 265 3HD1 ILE 35 3HD1 ILE 35 2.597 -0.255 6.887 266 H LYS 36 HN LYS 36 6.367 -4.045 7.449 267 HA LYS 36 HA LYS 36 6.106 -5.669 9.799 268 1HB LYS 36 2HB LYS 36 7.475 -6.833 7.355 269 2HB LYS 36 3HB LYS 36 7.492 -7.525 8.964 270 1HG LYS 36 2HG LYS 36 4.936 -7.581 8.876 271 2HG LYS 36 3HG LYS 36 5.041 -7.093 7.196 272 1HD LYS 36 2HD LYS 36 6.087 -9.123 6.531 273 2HD LYS 36 3HD LYS 36 6.614 -9.500 8.159 274 1HE LYS 36 2HE LYS 36 3.736 -9.278 8.200 275 2HE LYS 36 3HE LYS 36 4.172 -10.297 6.843 276 1HZ LYS 36 1HZ LYS 36 4.611 -11.897 8.263 277 2HZ LYS 36 2HZ LYS 36 5.755 -11.003 9.011 278 3HZ LYS 36 3HZ LYS 36 4.207 -10.947 9.528 279 H GLY 37 HN GLY 37 7.427 -4.638 11.188 280 1HA GLY 37 1HA GLY 37 9.952 -4.409 11.448 281 2HA GLY 37 2HA GLY 37 9.825 -3.326 10.077 282 H LEU 38 HN LEU 38 7.458 -1.918 10.558 283 HA LEU 38 HA LEU 38 8.286 0.034 12.317 284 1HB LEU 38 2HB LEU 38 5.634 -0.678 11.100 285 2HB LEU 38 3HB LEU 38 5.775 0.659 12.224 286 HG LEU 38 HG LEU 38 7.837 1.086 10.377 287 1HD1 LEU 38 1HD1 LEU 38 6.500 -0.711 9.043 288 2HD1 LEU 38 2HD1 LEU 38 5.362 0.624 8.743 289 3HD1 LEU 38 3HD1 LEU 38 7.060 0.769 8.227 290 1HD2 LEU 38 1HD2 LEU 38 6.609 3.060 9.789 291 2HD2 LEU 38 2HD2 LEU 38 5.084 2.346 10.367 292 3HD2 LEU 38 3HD2 LEU 38 6.374 2.748 11.525 293 H THR 39 HN THR 39 6.189 0.655 14.057 294 HA THR 39 HA THR 39 5.960 -1.677 15.812 295 HB THR 39 HB THR 39 6.746 -0.227 17.720 296 HG1 THR 39 1HG THR 39 6.252 1.818 16.663 297 1HG2 THR 39 1HG2 THR 39 8.925 0.117 15.670 298 2HG2 THR 39 2HG2 THR 39 9.025 -0.537 17.322 299 3HG2 THR 39 3HG2 THR 39 8.392 -1.548 16.002 300 H GLU 40 HN GLU 40 4.154 -1.682 17.176 301 HA GLU 40 HA GLU 40 1.867 -0.810 16.246 302 1HB GLU 40 2HB GLU 40 0.916 -1.105 18.434 303 2HB GLU 40 3HB GLU 40 2.268 -2.214 18.324 304 1HG GLU 40 2HG GLU 40 2.880 -1.284 20.330 305 2HG GLU 40 3HG GLU 40 3.564 -0.022 19.324 306 H GLY 41 HN GLY 41 0.824 1.100 15.829 307 1HA GLY 41 1HA GLY 41 0.290 3.270 17.042 308 2HA GLY 41 2HA GLY 41 2.019 3.545 16.973 309 H LEU 42 HN LEU 42 0.767 5.508 15.769 310 HA LEU 42 HA LEU 42 0.127 4.885 13.037 311 1HB LEU 42 2HB LEU 42 0.196 7.391 14.698 312 2HB LEU 42 3HB LEU 42 -0.009 7.457 12.959 313 HG LEU 42 HG LEU 42 -1.975 5.782 13.372 314 1HD1 LEU 42 1HD1 LEU 42 -2.052 7.132 16.064 315 2HD1 LEU 42 2HD1 LEU 42 -2.986 5.736 15.472 316 3HD1 LEU 42 3HD1 LEU 42 -1.252 5.558 15.834 317 1HD2 LEU 42 1HD2 LEU 42 -2.470 7.876 12.449 318 2HD2 LEU 42 2HD2 LEU 42 -3.484 7.784 13.910 319 3HD2 LEU 42 3HD2 LEU 42 -1.987 8.747 13.924 320 H HIS 43 HN HIS 43 1.255 5.868 11.181 321 HA HIS 43 HA HIS 43 3.941 6.771 11.698 322 1HB HIS 43 2HB HIS 43 3.417 4.233 10.126 323 2HB HIS 43 3HB HIS 43 4.955 5.070 10.209 324 HD1 HIS 43 HD1 HIS 43 5.656 5.487 12.996 325 HD2 HIS 43 HD2 HIS 43 3.379 2.148 11.870 326 HE1 HIS 43 HE1 HIS 43 5.926 3.773 14.867 327 H GLY 44 HN GLY 44 2.774 8.700 10.850 328 1HA GLY 44 1HA GLY 44 1.923 10.000 9.181 329 2HA GLY 44 2HA GLY 44 3.418 9.509 8.409 330 H PHE 45 HN PHE 45 2.690 9.406 6.264 331 HA PHE 45 HA PHE 45 1.080 7.088 5.668 332 1HB PHE 45 2HB PHE 45 -0.316 9.349 6.029 333 2HB PHE 45 3HB PHE 45 0.366 9.816 4.484 334 HD1 PHE 45 1HD PHE 45 -1.080 6.625 5.797 335 HD2 PHE 45 2HD PHE 45 -1.197 9.636 2.809 336 HE1 PHE 45 1HE PHE 45 -2.907 5.378 4.612 337 HE2 PHE 45 2HE PHE 45 -3.024 8.389 1.624 338 HZ PHE 45 HZ PHE 45 -3.858 6.274 2.540 339 H HIS 46 HN HIS 46 1.101 6.585 3.299 340 HA HIS 46 HA HIS 46 3.676 6.912 2.278 341 1HB HIS 46 2HB HIS 46 2.914 5.656 0.410 342 2HB HIS 46 3HB HIS 46 2.128 5.007 1.836 343 HD1 HIS 46 HD1 HIS 46 1.314 5.577 -1.496 344 HD2 HIS 46 HD2 HIS 46 -0.574 6.665 2.088 345 HE1 HIS 46 HE1 HIS 46 -1.129 6.023 -2.082 346 H VAL 47 HN VAL 47 3.890 7.686 -0.202 347 HA VAL 47 HA VAL 47 3.781 9.332 -1.691 348 HB VAL 47 HB VAL 47 1.599 10.751 -0.211 349 1HG1 VAL 47 1HG1 VAL 47 1.154 11.726 -2.203 350 2HG1 VAL 47 2HG1 VAL 47 2.822 11.238 -2.590 351 3HG1 VAL 47 3HG1 VAL 47 1.454 10.232 -3.124 352 1HG2 VAL 47 1HG2 VAL 47 0.140 9.093 -1.771 353 2HG2 VAL 47 2HG2 VAL 47 1.466 7.996 -1.315 354 3HG2 VAL 47 3HG2 VAL 47 0.485 8.780 -0.053 355 H HIS 48 HN HIS 48 5.908 9.637 -0.505 356 HA HIS 48 HA HIS 48 5.982 12.379 0.414 357 1HB HIS 48 2HB HIS 48 6.717 10.004 2.100 358 2HB HIS 48 3HB HIS 48 7.619 11.497 2.275 359 HD1 HIS 48 HD1 HIS 48 4.181 10.024 2.816 360 HD2 HIS 48 HD2 HIS 48 6.248 13.601 3.547 361 HE1 HIS 48 HE1 HIS 48 2.708 11.393 4.387 362 H GLU 49 HN GLU 49 7.753 13.441 -0.401 363 HA GLU 49 HA GLU 49 9.188 12.368 -2.415 364 1HB GLU 49 2HB GLU 49 9.206 14.800 -0.859 365 2HB GLU 49 3HB GLU 49 10.867 14.306 -1.119 366 1HG GLU 49 2HG GLU 49 9.745 13.862 -3.625 367 2HG GLU 49 3HG GLU 49 8.856 15.271 -3.080 368 H GLU 50 HN GLU 50 10.302 10.444 -2.271 369 HA GLU 50 HA GLU 50 11.630 9.697 0.084 370 1HB GLU 50 2HB GLU 50 10.779 8.430 -2.259 371 2HB GLU 50 3HB GLU 50 12.525 8.341 -2.379 372 1HG GLU 50 2HG GLU 50 11.102 7.597 0.204 373 2HG GLU 50 3HG GLU 50 11.262 6.435 -1.098 374 H GLU 51 HN GLU 51 12.635 11.198 -3.021 375 HA GLU 51 HA GLU 51 14.615 11.820 -3.759 376 1HB GLU 51 2HB GLU 51 15.765 13.327 -1.799 377 2HB GLU 51 3HB GLU 51 14.407 13.866 -2.766 378 1HG GLU 51 2HG GLU 51 12.830 12.970 -1.025 379 2HG GLU 51 3HG GLU 51 14.201 12.475 -0.052 380 H ASP 52 HN ASP 52 16.011 11.906 -0.494 381 HA ASP 52 HA ASP 52 17.418 10.573 0.545 382 1HB ASP 52 2HB ASP 52 16.248 8.695 -1.063 383 2HB ASP 52 3HB ASP 52 17.870 8.667 -1.727 384 H ASN 53 HN ASN 53 19.793 10.512 0.556 385 HA ASN 53 HA ASN 53 20.901 11.902 -1.731 386 1HB ASN 53 2HB ASN 53 21.634 11.628 1.189 387 2HB ASN 53 3HB ASN 53 22.940 11.925 0.059 388 1HD2 ASN 53 1HD2 ASN 53 21.776 13.592 2.178 389 2HD2 ASN 53 2HD2 ASN 53 21.304 15.089 1.446 390 H THR 54 HN THR 54 20.331 9.171 -2.186 391 HA THR 54 HA THR 54 23.026 8.087 -2.435 392 HB THR 54 HB THR 54 22.063 7.190 -0.285 393 HG1 THR 54 1HG THR 54 22.043 5.339 -2.562 394 1HG2 THR 54 1HG2 THR 54 19.615 7.201 -1.249 395 2HG2 THR 54 2HG2 THR 54 20.089 5.682 -2.045 396 3HG2 THR 54 3HG2 THR 54 20.118 5.803 -0.270 397 H ALA 55 HN ALA 55 19.507 7.776 -3.171 398 HA ALA 55 HA ALA 55 19.733 7.903 -5.863 399 1HB ALA 55 1HB ALA 55 21.101 6.052 -6.183 400 2HB ALA 55 2HB ALA 55 20.404 5.164 -4.807 401 3HB ALA 55 3HB ALA 55 19.490 5.308 -6.328 402 H GLY 56 HN GLY 56 18.292 5.477 -3.560 403 1HA GLY 56 1HA GLY 56 16.015 6.153 -2.779 404 2HA GLY 56 2HA GLY 56 15.631 6.395 -4.471 405 H CYS 57 HN CYS 57 15.088 4.639 -5.786 406 HA CYS 57 HA CYS 57 15.819 2.007 -5.170 407 1HB CYS 57 2HB CYS 57 13.182 1.457 -4.861 408 2HB CYS 57 3HB CYS 57 14.357 1.530 -3.562 409 H THR 58 HN THR 58 12.816 3.708 -6.354 410 HA THR 58 HA THR 58 13.245 2.402 -8.953 411 HB THR 58 HB THR 58 10.936 2.928 -7.204 412 HG1 THR 58 1HG THR 58 11.348 1.576 -9.777 413 1HG2 THR 58 1HG2 THR 58 10.310 4.729 -8.719 414 2HG2 THR 58 2HG2 THR 58 10.854 3.799 -10.136 415 3HG2 THR 58 3HG2 THR 58 9.403 3.289 -9.240 416 H SER 59 HN SER 59 11.863 5.521 -7.706 417 HA SER 59 HA SER 59 12.382 7.582 -8.266 418 1HB SER 59 2HB SER 59 14.732 6.502 -8.923 419 2HB SER 59 3HB SER 59 14.178 6.790 -10.561 420 HG SER 59 HG SER 59 15.069 8.604 -8.640 421 H ALA 60 HN ALA 60 10.192 7.798 -8.992 422 HA ALA 60 HA ALA 60 9.878 7.533 -11.905 423 1HB ALA 60 1HB ALA 60 8.423 6.325 -9.785 424 2HB ALA 60 2HB ALA 60 7.369 7.586 -10.469 425 3HB ALA 60 3HB ALA 60 8.032 6.313 -11.521 426 H GLY 61 HN GLY 61 8.223 9.189 -9.119 427 1HA GLY 61 1HA GLY 61 8.716 11.763 -10.446 428 2HA GLY 61 2HA GLY 61 7.062 11.281 -10.126 429 HA PRO 62 HA PRO 62 9.131 11.788 -5.893 430 1HB PRO 62 2HB PRO 62 11.761 12.509 -5.719 431 2HB PRO 62 3HB PRO 62 11.216 10.846 -5.629 432 1HG PRO 62 2HG PRO 62 12.546 12.242 -7.870 433 2HG PRO 62 3HG PRO 62 12.380 10.520 -7.593 434 1HD PRO 62 2HD PRO 62 10.881 12.112 -9.449 435 2HD PRO 62 3HD PRO 62 10.637 10.414 -9.088 436 H HIS 63 HN HIS 63 7.560 13.497 -6.269 437 HA HIS 63 HA HIS 63 8.925 16.019 -5.798 438 1HB HIS 63 2HB HIS 63 7.968 15.410 -8.313 439 2HB HIS 63 3HB HIS 63 6.618 16.276 -7.605 440 HD1 HIS 63 HD1 HIS 63 10.396 16.923 -7.320 441 HD2 HIS 63 HD2 HIS 63 6.857 18.839 -8.502 442 HE1 HIS 63 HE1 HIS 63 11.047 19.313 -7.933 443 H PHE 64 HN PHE 64 7.362 13.919 -4.247 444 HA PHE 64 HA PHE 64 4.865 15.229 -3.689 445 1HB PHE 64 2HB PHE 64 6.310 13.043 -2.100 446 2HB PHE 64 3HB PHE 64 4.579 13.285 -2.226 447 HD1 PHE 64 1HD PHE 64 6.805 10.971 -2.987 448 HD2 PHE 64 2HD PHE 64 4.095 13.481 -5.075 449 HE1 PHE 64 1HE PHE 64 6.710 9.307 -4.864 450 HE2 PHE 64 2HE PHE 64 3.999 11.818 -6.951 451 HZ PHE 64 HZ PHE 64 5.308 9.750 -6.824 452 H ASN 65 HN ASN 65 4.974 17.160 -2.604 453 HA ASN 65 HA ASN 65 6.895 17.299 -0.429 454 1HB ASN 65 2HB ASN 65 5.261 19.592 -1.624 455 2HB ASN 65 3HB ASN 65 6.673 19.732 -0.597 456 1HD2 ASN 65 1HD2 ASN 65 5.557 19.822 -3.700 457 2HD2 ASN 65 2HD2 ASN 65 7.022 19.572 -4.589 458 HA PRO 66 HA PRO 66 3.530 17.389 2.384 459 1HB PRO 66 2HB PRO 66 4.574 18.773 4.496 460 2HB PRO 66 3HB PRO 66 4.914 17.081 4.198 461 1HG PRO 66 2HG PRO 66 6.654 19.428 3.749 462 2HG PRO 66 3HG PRO 66 7.100 17.737 3.865 463 1HD PRO 66 2HD PRO 66 6.896 19.298 1.467 464 2HD PRO 66 3HD PRO 66 7.229 17.581 1.575 465 H LEU 67 HN LEU 67 4.576 20.129 0.842 466 HA LEU 67 HA LEU 67 2.995 22.043 2.155 467 1HB LEU 67 2HB LEU 67 3.718 23.482 0.561 468 2HB LEU 67 3HB LEU 67 4.964 22.254 0.467 469 HG LEU 67 HG LEU 67 3.499 21.244 -1.442 470 1HD1 LEU 67 1HD1 LEU 67 2.597 23.732 -2.440 471 2HD1 LEU 67 2HD1 LEU 67 1.631 22.311 -1.974 472 3HD1 LEU 67 3HD1 LEU 67 1.977 23.583 -0.778 473 1HD2 LEU 67 1HD2 LEU 67 5.443 21.894 -2.345 474 2HD2 LEU 67 2HD2 LEU 67 4.523 23.307 -2.915 475 3HD2 LEU 67 3HD2 LEU 67 5.484 23.414 -1.420 476 H SER 68 HN SER 68 2.267 19.415 -0.049 477 HA SER 68 HA SER 68 -0.064 20.497 -1.128 478 1HB SER 68 2HB SER 68 0.225 17.530 -0.678 479 2HB SER 68 3HB SER 68 -0.395 18.379 -2.080 480 HG SER 68 HG SER 68 2.291 17.795 -1.352 481 H ARG 69 HN ARG 69 0.573 18.296 1.686 482 HA ARG 69 HA ARG 69 -2.205 18.463 2.393 483 1HB ARG 69 2HB ARG 69 -1.552 16.850 4.214 484 2HB ARG 69 3HB ARG 69 -1.110 16.278 2.618 485 1HG ARG 69 2HG ARG 69 1.120 17.804 3.465 486 2HG ARG 69 3HG ARG 69 0.620 16.928 4.898 487 1HD ARG 69 2HD ARG 69 0.457 14.882 3.135 488 2HD ARG 69 3HD ARG 69 1.633 15.853 2.271 489 HE ARG 69 HE ARG 69 3.224 15.295 3.886 490 1HH1 ARG 69 2HH2 ARG 69 0.016 14.774 5.233 491 2HH1 ARG 69 1HH2 ARG 69 0.607 14.066 6.699 492 1HH2 ARG 69 2HH1 ARG 69 4.005 14.361 5.820 493 2HH2 ARG 69 1HH1 ARG 69 2.891 13.829 7.035 494 H LYS 70 HN LYS 70 -1.618 20.977 2.614 495 HA LYS 70 HA LYS 70 -0.169 21.713 4.944 496 1HB LYS 70 2HB LYS 70 -0.844 23.961 4.395 497 2HB LYS 70 3HB LYS 70 -0.350 23.134 2.932 498 1HG LYS 70 2HG LYS 70 -2.856 22.565 2.581 499 2HG LYS 70 3HG LYS 70 -3.194 23.716 3.859 500 1HD LYS 70 2HD LYS 70 -1.545 24.425 1.391 501 2HD LYS 70 3HD LYS 70 -3.282 24.644 1.466 502 1HE LYS 70 2HE LYS 70 -2.800 26.708 2.318 503 2HE LYS 70 3HE LYS 70 -2.499 25.862 3.823 504 1HZ LYS 70 1HZ LYS 70 -0.673 27.201 2.207 505 2HZ LYS 70 2HZ LYS 70 -0.417 26.503 3.661 506 3HZ LYS 70 3HZ LYS 70 -0.219 25.635 2.291 507 H HIS 71 HN HIS 71 -0.882 21.042 6.912 508 HA HIS 71 HA HIS 71 -2.210 20.684 8.623 509 1HB HIS 71 2HB HIS 71 -3.265 22.522 9.392 510 2HB HIS 71 3HB HIS 71 -2.477 23.280 8.023 511 HD1 HIS 71 HD1 HIS 71 -3.957 24.234 6.171 512 HD2 HIS 71 HD2 HIS 71 -6.086 21.969 8.988 513 HE1 HIS 71 HE1 HIS 71 -6.430 24.618 5.675 514 H GLY 72 HN GLY 72 -3.212 18.727 8.574 515 1HA GLY 72 1HA GLY 72 -5.921 18.589 7.591 516 2HA GLY 72 2HA GLY 72 -4.779 17.653 6.647 517 H GLY 73 HN GLY 73 -5.536 15.587 7.259 518 1HA GLY 73 1HA GLY 73 -4.772 13.826 8.722 519 2HA GLY 73 2HA GLY 73 -5.026 14.894 10.088 520 HA PRO 74 HA PRO 74 -8.915 12.868 10.228 521 1HB PRO 74 2HB PRO 74 -9.694 13.792 12.679 522 2HB PRO 74 3HB PRO 74 -8.689 12.372 12.465 523 1HG PRO 74 2HG PRO 74 -7.909 15.075 13.373 524 2HG PRO 74 3HG PRO 74 -7.042 13.563 13.554 525 1HD PRO 74 2HD PRO 74 -6.474 15.654 11.674 526 2HD PRO 74 3HD PRO 74 -5.681 14.094 11.779 527 H LYS 75 HN LYS 75 -9.035 14.639 8.360 528 HA LYS 75 HA LYS 75 -11.603 15.636 8.551 529 1HB LYS 75 2HB LYS 75 -9.890 17.216 10.087 530 2HB LYS 75 3HB LYS 75 -10.044 18.103 8.584 531 1HG LYS 75 2HG LYS 75 -12.064 18.841 9.301 532 2HG LYS 75 3HG LYS 75 -12.668 17.205 9.124 533 1HD LYS 75 2HD LYS 75 -12.512 16.740 11.397 534 2HD LYS 75 3HD LYS 75 -11.118 17.777 11.629 535 1HE LYS 75 2HE LYS 75 -13.407 19.392 10.818 536 2HE LYS 75 3HE LYS 75 -13.853 18.389 12.185 537 1HZ LYS 75 1HZ LYS 75 -12.639 19.660 13.486 538 2HZ LYS 75 2HZ LYS 75 -11.295 19.463 12.578 539 3HZ LYS 75 3HZ LYS 75 -12.343 20.669 12.237 540 H ASP 76 HN ASP 76 -8.274 16.013 7.271 541 HA ASP 76 HA ASP 76 -7.511 16.118 5.244 542 1HB ASP 76 2HB ASP 76 -10.137 15.625 3.878 543 2HB ASP 76 3HB ASP 76 -8.567 14.920 3.547 544 H GLU 77 HN GLU 77 -7.179 18.425 5.220 545 HA GLU 77 HA GLU 77 -9.364 19.924 3.997 546 1HB GLU 77 2HB GLU 77 -8.750 20.571 6.368 547 2HB GLU 77 3HB GLU 77 -7.155 21.015 5.794 548 1HG GLU 77 2HG GLU 77 -8.343 23.067 5.763 549 2HG GLU 77 3HG GLU 77 -8.374 22.554 4.088 550 H GLU 78 HN GLU 78 -6.193 18.657 3.628 551 HA GLU 78 HA GLU 78 -5.963 19.843 1.092 552 1HB GLU 78 2HB GLU 78 -4.619 21.175 3.338 553 2HB GLU 78 3HB GLU 78 -3.473 20.665 2.115 554 1HG GLU 78 2HG GLU 78 -5.986 21.974 1.121 555 2HG GLU 78 3HG GLU 78 -4.853 23.008 1.969 556 H ARG 79 HN ARG 79 -4.058 18.954 -0.114 557 HA ARG 79 HA ARG 79 -2.101 17.454 0.677 558 1HB ARG 79 2HB ARG 79 -3.127 15.022 0.585 559 2HB ARG 79 3HB ARG 79 -3.214 15.923 2.085 560 1HG ARG 79 2HG ARG 79 -5.480 15.871 2.044 561 2HG ARG 79 3HG ARG 79 -5.507 16.633 0.466 562 1HD ARG 79 2HD ARG 79 -5.576 14.577 -0.686 563 2HD ARG 79 3HD ARG 79 -4.812 13.694 0.621 564 HE ARG 79 HE ARG 79 -7.256 14.638 1.663 565 1HH1 ARG 79 2HH2 ARG 79 -6.215 12.511 -0.940 566 2HH1 ARG 79 1HH2 ARG 79 -7.646 11.537 -0.889 567 1HH2 ARG 79 2HH1 ARG 79 -9.145 13.353 1.731 568 2HH2 ARG 79 1HH1 ARG 79 -9.324 12.020 0.640 569 H HIS 80 HN HIS 80 -2.298 18.766 -1.551 570 HA HIS 80 HA HIS 80 -3.574 17.618 -3.719 571 1HB HIS 80 2HB HIS 80 -1.627 19.714 -3.210 572 2HB HIS 80 3HB HIS 80 -1.254 18.862 -4.696 573 HD1 HIS 80 HD1 HIS 80 -1.931 21.015 -6.056 574 HD2 HIS 80 HD2 HIS 80 -5.047 19.266 -3.859 575 HE1 HIS 80 HE1 HIS 80 -4.092 22.055 -6.928 576 H VAL 81 HN VAL 81 -0.894 16.491 -1.860 577 HA VAL 81 HA VAL 81 0.406 15.088 -3.982 578 HB VAL 81 HB VAL 81 1.378 15.967 -1.784 579 1HG1 VAL 81 1HG1 VAL 81 -0.252 15.036 -0.240 580 2HG1 VAL 81 2HG1 VAL 81 0.141 13.384 -0.774 581 3HG1 VAL 81 3HG1 VAL 81 1.355 14.349 0.098 582 1HG2 VAL 81 1HG2 VAL 81 1.944 13.456 -3.234 583 2HG2 VAL 81 2HG2 VAL 81 3.012 14.825 -2.840 584 3HG2 VAL 81 3HG2 VAL 81 2.683 13.572 -1.619 585 H GLY 82 HN GLY 82 -2.136 14.430 -1.549 586 1HA GLY 82 1HA GLY 82 -3.817 12.824 -2.297 587 2HA GLY 82 2HA GLY 82 -2.508 11.776 -2.806 588 H ASP 83 HN ASP 83 -1.711 13.536 0.058 589 HA ASP 83 HA ASP 83 -1.633 11.160 1.545 590 1HB ASP 83 2HB ASP 83 -0.948 14.030 1.919 591 2HB ASP 83 3HB ASP 83 -1.413 13.221 3.402 592 H LEU 84 HN LEU 84 -3.623 10.239 2.151 593 HA LEU 84 HA LEU 84 -5.924 11.806 2.626 594 1HB LEU 84 2HB LEU 84 -5.880 9.474 1.776 595 2HB LEU 84 3HB LEU 84 -5.363 8.930 3.360 596 HG LEU 84 HG LEU 84 -7.713 10.498 3.736 597 1HD1 LEU 84 1HD1 LEU 84 -9.123 8.652 2.339 598 2HD1 LEU 84 2HD1 LEU 84 -8.739 10.285 1.744 599 3HD1 LEU 84 3HD1 LEU 84 -7.737 8.900 1.249 600 1HD2 LEU 84 1HD2 LEU 84 -8.629 8.314 4.537 601 2HD2 LEU 84 2HD2 LEU 84 -7.140 7.533 3.953 602 3HD2 LEU 84 3HD2 LEU 84 -7.056 8.758 5.242 603 H GLY 85 HN GLY 85 -4.412 9.519 4.990 604 1HA GLY 85 1HA GLY 85 -4.434 11.674 6.994 605 2HA GLY 85 2HA GLY 85 -5.329 10.200 7.306 606 H ASN 86 HN ASN 86 -4.265 8.581 8.365 607 HA ASN 86 HA ASN 86 -1.436 8.308 7.867 608 1HB ASN 86 2HB ASN 86 -2.708 9.037 10.507 609 2HB ASN 86 3HB ASN 86 -1.382 7.892 10.554 610 1HD2 ASN 86 1HD2 ASN 86 0.012 9.261 11.578 611 2HD2 ASN 86 2HD2 ASN 86 0.742 10.643 10.833 612 H VAL 87 HN VAL 87 -0.656 6.155 9.016 613 HA VAL 87 HA VAL 87 -2.871 4.234 8.869 614 HB VAL 87 HB VAL 87 -0.964 2.606 8.470 615 1HG1 VAL 87 1HG1 VAL 87 -1.964 2.818 6.471 616 2HG1 VAL 87 2HG1 VAL 87 -2.160 4.577 6.657 617 3HG1 VAL 87 3HG1 VAL 87 -0.622 3.912 6.056 618 1HG2 VAL 87 1HG2 VAL 87 1.152 3.461 7.684 619 2HG2 VAL 87 2HG2 VAL 87 0.590 5.141 7.858 620 3HG2 VAL 87 3HG2 VAL 87 0.833 4.129 9.302 621 H THR 88 HN THR 88 -1.927 2.073 10.183 622 HA THR 88 HA THR 88 -0.766 2.874 12.706 623 HB THR 88 HB THR 88 -3.525 1.593 12.758 624 HG1 THR 88 1HG THR 88 -4.173 3.561 11.971 625 1HG2 THR 88 1HG2 THR 88 -2.862 3.643 14.748 626 2HG2 THR 88 2HG2 THR 88 -3.347 1.950 15.010 627 3HG2 THR 88 3HG2 THR 88 -1.635 2.354 14.740 628 H ALA 89 HN ALA 89 0.190 1.180 13.817 629 HA ALA 89 HA ALA 89 0.517 -1.198 12.208 630 1HB ALA 89 1HB ALA 89 2.573 -0.578 13.027 631 2HB ALA 89 2HB ALA 89 1.890 0.135 14.508 632 3HB ALA 89 3HB ALA 89 2.061 -1.631 14.368 633 H ASP 90 HN ASP 90 0.422 -3.390 13.308 634 HA ASP 90 HA ASP 90 -2.127 -3.671 14.428 635 1HB ASP 90 2HB ASP 90 -1.280 -5.484 13.110 636 2HB ASP 90 3HB ASP 90 0.237 -5.525 13.987 637 H LYS 91 HN LYS 91 0.540 -5.530 15.879 638 HA LYS 91 HA LYS 91 0.341 -3.975 18.345 639 1HB LYS 91 2HB LYS 91 -0.301 -5.737 19.675 640 2HB LYS 91 3HB LYS 91 -1.237 -6.054 18.228 641 1HG LYS 91 2HG LYS 91 0.472 -7.670 17.438 642 2HG LYS 91 3HG LYS 91 1.484 -7.310 18.823 643 1HD LYS 91 2HD LYS 91 -0.907 -7.946 20.064 644 2HD LYS 91 3HD LYS 91 -0.973 -8.987 18.656 645 1HE LYS 91 2HE LYS 91 0.621 -10.377 19.499 646 2HE LYS 91 3HE LYS 91 1.707 -9.043 19.833 647 1HZ LYS 91 1HZ LYS 91 1.039 -8.964 21.938 648 2HZ LYS 91 2HZ LYS 91 -0.540 -9.198 21.596 649 3HZ LYS 91 3HZ LYS 91 0.472 -10.476 21.696 650 H ASP 92 HN ASP 92 2.234 -4.809 15.891 651 HA ASP 92 HA ASP 92 4.549 -4.769 17.556 652 1HB ASP 92 2HB ASP 92 3.591 -7.253 16.394 653 2HB ASP 92 3HB ASP 92 5.097 -6.814 15.614 654 H GLY 93 HN GLY 93 3.062 -3.159 15.452 655 1HA GLY 93 1HA GLY 93 4.054 -1.630 13.989 656 2HA GLY 93 2HA GLY 93 5.321 -2.782 13.617 657 H VAL 94 HN VAL 94 3.788 -5.129 13.079 658 HA VAL 94 HA VAL 94 3.315 -5.020 10.458 659 HB VAL 94 HB VAL 94 1.589 -6.564 12.400 660 1HG1 VAL 94 1HG1 VAL 94 1.745 -8.305 10.561 661 2HG1 VAL 94 2HG1 VAL 94 0.786 -6.855 10.177 662 3HG1 VAL 94 3HG1 VAL 94 2.434 -7.030 9.528 663 1HG2 VAL 94 1HG2 VAL 94 3.731 -8.185 11.591 664 2HG2 VAL 94 2HG2 VAL 94 4.467 -6.621 12.017 665 3HG2 VAL 94 3HG2 VAL 94 3.460 -7.483 13.205 666 H ALA 95 HN ALA 95 2.313 -3.339 9.424 667 HA ALA 95 HA ALA 95 -0.327 -2.559 10.433 668 1HB ALA 95 1HB ALA 95 0.798 -0.915 8.299 669 2HB ALA 95 2HB ALA 95 0.286 -0.450 9.939 670 3HB ALA 95 3HB ALA 95 1.929 -1.077 9.664 671 H ASP 96 HN ASP 96 -2.050 -3.450 9.423 672 HA ASP 96 HA ASP 96 -1.593 -4.538 6.784 673 1HB ASP 96 2HB ASP 96 -3.547 -5.866 7.153 674 2HB ASP 96 3HB ASP 96 -2.698 -5.859 8.686 675 H VAL 97 HN VAL 97 -3.128 -4.009 5.011 676 HA VAL 97 HA VAL 97 -4.606 -1.515 5.503 677 HB VAL 97 HB VAL 97 -3.071 -2.373 3.041 678 1HG1 VAL 97 1HG1 VAL 97 -5.000 -0.135 3.567 679 2HG1 VAL 97 2HG1 VAL 97 -3.618 0.149 2.481 680 3HG1 VAL 97 3HG1 VAL 97 -4.787 -1.142 2.115 681 1HG2 VAL 97 1HG2 VAL 97 -2.010 0.018 3.801 682 2HG2 VAL 97 2HG2 VAL 97 -2.403 -0.692 5.385 683 3HG2 VAL 97 3HG2 VAL 97 -1.342 -1.568 4.255 684 H SER 98 HN SER 98 -6.553 -1.232 4.158 685 HA SER 98 HA SER 98 -7.505 -3.200 2.495 686 1HB SER 98 2HB SER 98 -7.520 -4.427 4.801 687 2HB SER 98 3HB SER 98 -8.878 -3.393 5.198 688 HG SER 98 HG SER 98 -9.845 -4.211 3.097 689 H ILE 99 HN ILE 99 -7.892 -1.039 1.525 690 HA ILE 99 HA ILE 99 -10.446 0.038 2.451 691 HB ILE 99 HB ILE 99 -8.120 1.787 1.662 692 1HG1 ILE 99 2HG1 ILE 99 -9.125 1.425 4.486 693 2HG1 ILE 99 3HG1 ILE 99 -7.832 0.435 3.840 694 1HG2 ILE 99 1HG2 ILE 99 -10.921 2.294 2.648 695 2HG2 ILE 99 2HG2 ILE 99 -9.627 3.499 2.854 696 3HG2 ILE 99 3HG2 ILE 99 -10.089 2.958 1.222 697 1HD1 ILE 99 1HD1 ILE 99 -6.329 2.197 3.735 698 2HD1 ILE 99 2HD1 ILE 99 -7.602 3.401 3.421 699 3HD1 ILE 99 3HD1 ILE 99 -7.350 2.781 5.071 700 H GLU 100 HN GLU 100 -11.328 1.603 0.650 701 HA GLU 100 HA GLU 100 -10.567 0.467 -1.924 702 1HB GLU 100 2HB GLU 100 -13.149 0.345 -0.553 703 2HB GLU 100 3HB GLU 100 -13.308 1.148 -2.102 704 1HG GLU 100 2HG GLU 100 -13.016 -0.796 -3.248 705 2HG GLU 100 3HG GLU 100 -11.574 -1.200 -2.339 706 H ASP 101 HN ASP 101 -9.542 2.149 -2.946 707 HA ASP 101 HA ASP 101 -10.397 4.817 -2.407 708 1HB ASP 101 2HB ASP 101 -8.409 3.892 -4.523 709 2HB ASP 101 3HB ASP 101 -8.505 5.478 -3.786 710 H SER 102 HN SER 102 -12.206 5.595 -3.511 711 HA SER 102 HA SER 102 -12.827 4.420 -6.065 712 1HB SER 102 2HB SER 102 -14.989 5.524 -5.834 713 2HB SER 102 3HB SER 102 -14.601 4.715 -4.328 714 HG SER 102 HG SER 102 -14.435 6.611 -3.293 715 H VAL 103 HN VAL 103 -10.632 6.602 -5.235 716 HA VAL 103 HA VAL 103 -11.431 8.615 -7.210 717 HB VAL 103 HB VAL 103 -9.532 8.608 -4.874 718 1HG1 VAL 103 1HG1 VAL 103 -9.057 11.034 -5.646 719 2HG1 VAL 103 2HG1 VAL 103 -8.194 9.702 -6.451 720 3HG1 VAL 103 3HG1 VAL 103 -9.588 10.470 -7.248 721 1HG2 VAL 103 1HG2 VAL 103 -12.084 10.004 -5.607 722 2HG2 VAL 103 2HG2 VAL 103 -11.592 9.256 -4.068 723 3HG2 VAL 103 3HG2 VAL 103 -10.918 10.832 -4.547 724 H ILE 104 HN ILE 104 -8.179 7.511 -6.091 725 HA ILE 104 HA ILE 104 -7.017 7.725 -8.580 726 HB ILE 104 HB ILE 104 -5.270 6.204 -7.593 727 1HG1 ILE 104 2HG1 ILE 104 -5.673 6.032 -4.980 728 2HG1 ILE 104 3HG1 ILE 104 -7.360 6.011 -5.454 729 1HG2 ILE 104 1HG2 ILE 104 -4.746 7.883 -5.713 730 2HG2 ILE 104 2HG2 ILE 104 -4.871 8.493 -7.380 731 3HG2 ILE 104 3HG2 ILE 104 -6.222 8.724 -6.244 732 1HD1 ILE 104 1HD1 ILE 104 -6.520 3.711 -5.346 733 2HD1 ILE 104 2HD1 ILE 104 -6.869 4.123 -7.042 734 3HD1 ILE 104 3HD1 ILE 104 -5.188 4.114 -6.457 735 H SER 105 HN SER 105 -6.062 5.868 -9.905 736 HA SER 105 HA SER 105 -7.325 3.379 -9.793 737 1HB SER 105 2HB SER 105 -9.105 3.562 -11.186 738 2HB SER 105 3HB SER 105 -8.971 5.293 -10.946 739 HG SER 105 HG SER 105 -8.788 5.245 -13.105 740 H LEU 106 HN LEU 106 -6.837 2.154 -12.039 741 HA LEU 106 HA LEU 106 -4.109 2.935 -12.727 742 1HB LEU 106 2HB LEU 106 -5.546 0.327 -13.224 743 2HB LEU 106 3HB LEU 106 -3.843 0.654 -13.478 744 HG LEU 106 HG LEU 106 -3.849 1.217 -10.909 745 1HD1 LEU 106 1HD1 LEU 106 -6.518 0.073 -11.334 746 2HD1 LEU 106 2HD1 LEU 106 -5.586 -0.722 -10.042 747 3HD1 LEU 106 3HD1 LEU 106 -5.875 1.033 -9.981 748 1HD2 LEU 106 1HD2 LEU 106 -2.918 -0.832 -12.361 749 2HD2 LEU 106 2HD2 LEU 106 -2.812 -0.772 -10.585 750 3HD2 LEU 106 3HD2 LEU 106 -4.107 -1.709 -11.368 751 H SER 107 HN SER 107 -6.146 4.583 -13.779 752 HA SER 107 HA SER 107 -6.251 3.648 -16.537 753 1HB SER 107 2HB SER 107 -7.983 5.750 -15.161 754 2HB SER 107 3HB SER 107 -8.155 5.219 -16.823 755 HG SER 107 HG SER 107 -9.262 3.511 -16.164 756 H GLY 108 HN GLY 108 -6.288 5.649 -18.156 757 1HA GLY 108 1HA GLY 108 -3.846 7.096 -17.704 758 2HA GLY 108 2HA GLY 108 -4.879 7.145 -19.119 759 H ASP 109 HN ASP 109 -5.394 7.908 -15.595 760 HA ASP 109 HA ASP 109 -5.826 10.650 -16.312 761 1HB ASP 109 2HB ASP 109 -8.032 8.900 -16.128 762 2HB ASP 109 3HB ASP 109 -8.001 9.696 -14.568 763 H HIS 110 HN HIS 110 -6.255 8.076 -13.769 764 HA HIS 110 HA HIS 110 -5.305 9.959 -11.769 765 1HB HIS 110 2HB HIS 110 -6.807 7.363 -11.702 766 2HB HIS 110 3HB HIS 110 -5.902 7.860 -10.286 767 HD1 HIS 110 HD1 HIS 110 -9.045 8.504 -12.145 768 HD2 HIS 110 HD2 HIS 110 -6.828 10.347 -9.098 769 HE1 HIS 110 HE1 HIS 110 -10.604 10.206 -11.056 770 H SER 111 HN SER 111 -4.641 6.613 -13.010 771 HA SER 111 HA SER 111 -2.854 5.378 -12.968 772 1HB SER 111 2HB SER 111 -1.025 6.312 -13.982 773 2HB SER 111 3HB SER 111 -2.079 7.704 -14.130 774 HG SER 111 HG SER 111 0.247 7.780 -13.026 775 H ILE 112 HN ILE 112 -2.633 4.219 -11.077 776 HA ILE 112 HA ILE 112 -1.931 5.626 -8.650 777 HB ILE 112 HB ILE 112 -2.694 3.802 -7.520 778 1HG1 ILE 112 2HG1 ILE 112 -1.950 2.083 -9.902 779 2HG1 ILE 112 3HG1 ILE 112 -1.117 2.169 -8.363 780 1HG2 ILE 112 1HG2 ILE 112 -4.803 3.434 -8.298 781 2HG2 ILE 112 2HG2 ILE 112 -4.336 4.781 -9.364 782 3HG2 ILE 112 3HG2 ILE 112 -4.259 3.106 -9.961 783 1HD1 ILE 112 1HD1 ILE 112 -3.924 1.624 -7.876 784 2HD1 ILE 112 2HD1 ILE 112 -3.290 0.465 -9.068 785 3HD1 ILE 112 3HD1 ILE 112 -2.508 0.622 -7.476 786 H ILE 113 HN ILE 113 -0.505 3.436 -11.080 787 HA ILE 113 HA ILE 113 1.647 2.435 -9.828 788 HB ILE 113 HB ILE 113 1.575 3.687 -12.576 789 1HG1 ILE 113 2HG1 ILE 113 -0.195 2.140 -12.498 790 2HG1 ILE 113 3HG1 ILE 113 1.129 1.286 -13.265 791 1HG2 ILE 113 1HG2 ILE 113 3.657 2.997 -12.914 792 2HG2 ILE 113 2HG2 ILE 113 3.772 2.652 -11.171 793 3HG2 ILE 113 3HG2 ILE 113 3.278 1.369 -12.302 794 1HD1 ILE 113 1HD1 ILE 113 0.544 -0.326 -11.717 795 2HD1 ILE 113 2HD1 ILE 113 1.661 0.611 -10.695 796 3HD1 ILE 113 3HD1 ILE 113 -0.095 0.867 -10.562 797 H GLY 114 HN GLY 114 3.491 3.139 -8.843 798 1HA GLY 114 1HA GLY 114 5.271 4.593 -8.522 799 2HA GLY 114 2HA GLY 114 4.401 5.873 -9.345 800 H ARG 115 HN ARG 115 2.129 4.414 -7.354 801 HA ARG 115 HA ARG 115 2.467 6.533 -5.441 802 1HB ARG 115 2HB ARG 115 0.214 4.606 -6.124 803 2HB ARG 115 3HB ARG 115 0.157 5.533 -4.638 804 1HG ARG 115 2HG ARG 115 0.872 7.210 -6.956 805 2HG ARG 115 3HG ARG 115 -0.672 6.412 -7.177 806 1HD ARG 115 2HD ARG 115 0.148 8.234 -4.871 807 2HD ARG 115 3HD ARG 115 -1.101 8.530 -6.064 808 HE ARG 115 HE ARG 115 -1.737 6.085 -4.748 809 1HH1 ARG 115 2HH2 ARG 115 -1.516 9.519 -4.015 810 2HH1 ARG 115 1HH2 ARG 115 -2.706 9.458 -2.759 811 1HH2 ARG 115 2HH1 ARG 115 -3.308 6.004 -3.091 812 2HH2 ARG 115 1HH1 ARG 115 -3.733 7.445 -2.229 813 H THR 116 HN THR 116 4.525 5.043 -4.834 814 HA THR 116 HA THR 116 4.318 2.649 -3.547 815 HB THR 116 HB THR 116 6.436 3.835 -4.098 816 HG1 THR 116 1HG THR 116 7.371 3.022 -2.185 817 1HG2 THR 116 1HG2 THR 116 5.970 6.151 -3.481 818 2HG2 THR 116 2HG2 THR 116 5.531 5.672 -1.824 819 3HG2 THR 116 3HG2 THR 116 7.223 5.557 -2.365 820 H LEU 117 HN LEU 117 4.171 1.964 -1.338 821 HA LEU 117 HA LEU 117 2.386 3.734 0.170 822 1HB LEU 117 2HB LEU 117 1.747 1.353 -0.658 823 2HB LEU 117 3HB LEU 117 2.742 0.799 0.674 824 HG LEU 117 HG LEU 117 0.367 0.868 1.264 825 1HD1 LEU 117 1HD1 LEU 117 0.568 2.254 3.347 826 2HD1 LEU 117 2HD1 LEU 117 1.893 1.095 3.081 827 3HD1 LEU 117 3HD1 LEU 117 2.142 2.825 2.740 828 1HD2 LEU 117 1HD2 LEU 117 0.227 3.151 -0.234 829 2HD2 LEU 117 2HD2 LEU 117 -1.023 2.587 0.901 830 3HD2 LEU 117 3HD2 LEU 117 0.173 3.798 1.423 831 H VAL 118 HN VAL 118 4.679 4.824 0.521 832 HA VAL 118 HA VAL 118 6.408 3.491 2.334 833 HB VAL 118 HB VAL 118 7.541 5.628 2.444 834 1HG1 VAL 118 1HG1 VAL 118 7.190 4.082 0.168 835 2HG1 VAL 118 2HG1 VAL 118 6.924 5.742 -0.416 836 3HG1 VAL 118 3HG1 VAL 118 8.442 5.323 0.414 837 1HG2 VAL 118 1HG2 VAL 118 5.144 6.735 0.943 838 2HG2 VAL 118 2HG2 VAL 118 5.630 7.127 2.610 839 3HG2 VAL 118 3HG2 VAL 118 6.665 7.610 1.245 840 H VAL 119 HN VAL 119 6.964 4.705 4.516 841 HA VAL 119 HA VAL 119 4.523 5.649 5.797 842 HB VAL 119 HB VAL 119 5.088 4.111 7.740 843 1HG1 VAL 119 1HG1 VAL 119 4.243 2.338 5.519 844 2HG1 VAL 119 2HG1 VAL 119 3.433 2.724 7.057 845 3HG1 VAL 119 3HG1 VAL 119 3.330 3.857 5.688 846 1HG2 VAL 119 1HG2 VAL 119 6.156 1.981 6.136 847 2HG2 VAL 119 2HG2 VAL 119 7.231 3.395 6.018 848 3HG2 VAL 119 3HG2 VAL 119 6.823 2.718 7.613 849 H HIS 120 HN HIS 120 4.995 6.722 7.905 850 HA HIS 120 HA HIS 120 7.492 8.135 7.662 851 1HB HIS 120 2HB HIS 120 4.943 8.496 9.194 852 2HB HIS 120 3HB HIS 120 6.391 9.290 9.780 853 HD1 HIS 120 HD1 HIS 120 5.644 11.676 9.196 854 HD2 HIS 120 HD2 HIS 120 5.636 9.071 5.908 855 HE1 HIS 120 HE1 HIS 120 5.307 13.134 7.130 856 H GLU 121 HN GLU 121 8.666 8.634 9.868 857 HA GLU 121 HA GLU 121 9.394 6.068 10.879 858 1HB GLU 121 2HB GLU 121 10.858 8.254 10.344 859 2HB GLU 121 3HB GLU 121 10.499 8.627 12.018 860 1HG GLU 121 2HG GLU 121 11.237 5.838 11.872 861 2HG GLU 121 3HG GLU 121 12.434 6.756 10.981 862 H LYS 122 HN LYS 122 7.285 8.707 11.780 863 HA LYS 122 HA LYS 122 6.481 7.257 14.122 864 1HB LYS 122 2HB LYS 122 8.505 8.806 14.723 865 2HB LYS 122 3HB LYS 122 7.329 10.101 14.615 866 1HG LYS 122 2HG LYS 122 6.351 7.760 16.151 867 2HG LYS 122 3HG LYS 122 7.774 8.501 16.855 868 1HD LYS 122 2HD LYS 122 6.591 10.760 16.664 869 2HD LYS 122 3HD LYS 122 5.147 9.898 16.169 870 1HE LYS 122 2HE LYS 122 5.744 8.482 18.426 871 2HE LYS 122 3HE LYS 122 6.458 10.021 18.866 872 1HZ LYS 122 1HZ LYS 122 4.145 10.822 17.897 873 2HZ LYS 122 2HZ LYS 122 3.693 9.355 18.453 874 3HZ LYS 122 3HZ LYS 122 4.363 10.443 19.471 875 H ALA 123 HN ALA 123 4.497 8.326 15.117 876 HA ALA 123 HA ALA 123 2.595 8.758 13.204 877 1HB ALA 123 1HB ALA 123 2.286 8.196 15.648 878 2HB ALA 123 2HB ALA 123 2.592 9.909 16.021 879 3HB ALA 123 3HB ALA 123 1.181 9.451 15.037 880 H ASP 124 HN ASP 124 1.215 10.867 13.014 881 HA ASP 124 HA ASP 124 2.216 13.328 13.482 882 1HB ASP 124 2HB ASP 124 3.054 13.935 11.123 883 2HB ASP 124 3HB ASP 124 4.152 13.010 12.128 884 H ASP 125 HN ASP 125 -0.181 13.348 13.689 885 HA ASP 125 HA ASP 125 -1.443 14.443 11.505 886 1HB ASP 125 2HB ASP 125 -1.474 11.535 11.543 887 2HB ASP 125 3HB ASP 125 -3.105 12.124 11.799 888 H LEU 126 HN LEU 126 -1.743 12.335 14.427 889 HA LEU 126 HA LEU 126 -4.216 12.796 15.314 890 1HB LEU 126 2HB LEU 126 -1.683 12.893 16.958 891 2HB LEU 126 3HB LEU 126 -3.297 12.664 17.602 892 HG LEU 126 HG LEU 126 -2.862 10.480 17.467 893 1HD1 LEU 126 1HD1 LEU 126 -4.431 10.828 15.562 894 2HD1 LEU 126 2HD1 LEU 126 -3.030 10.829 14.463 895 3HD1 LEU 126 3HD1 LEU 126 -3.416 9.373 15.411 896 1HD2 LEU 126 1HD2 LEU 126 -0.667 11.077 15.463 897 2HD2 LEU 126 2HD2 LEU 126 -0.477 10.874 17.221 898 3HD2 LEU 126 3HD2 LEU 126 -0.985 9.496 16.216 899 H GLY 127 HN GLY 127 -1.424 15.056 15.858 900 1HA GLY 127 1HA GLY 127 -1.879 17.406 15.389 901 2HA GLY 127 2HA GLY 127 -3.424 17.212 16.192 902 H LYS 128 HN LYS 128 0.143 16.892 16.746 903 HA LYS 128 HA LYS 128 0.058 16.702 19.500 904 1HB LYS 128 2HB LYS 128 2.307 16.769 19.352 905 2HB LYS 128 3HB LYS 128 1.999 16.607 17.635 906 1HG LYS 128 2HG LYS 128 1.978 19.156 17.477 907 2HG LYS 128 3HG LYS 128 2.482 19.212 19.154 908 1HD LYS 128 2HD LYS 128 4.347 17.462 18.177 909 2HD LYS 128 3HD LYS 128 4.038 18.396 16.727 910 1HE LYS 128 2HE LYS 128 4.589 19.769 19.387 911 2HE LYS 128 3HE LYS 128 5.902 19.235 18.356 912 1HZ LYS 128 1HZ LYS 128 5.157 21.537 17.978 913 2HZ LYS 128 2HZ LYS 128 5.120 20.616 16.630 914 3HZ LYS 128 3HZ LYS 128 3.732 20.972 17.413 915 H GLY 129 HN GLY 129 -0.648 19.396 17.373 916 1HA GLY 129 1HA GLY 129 -1.893 20.979 19.177 917 2HA GLY 129 2HA GLY 129 -0.211 21.430 19.374 918 H GLY 130 HN GLY 130 0.426 20.749 16.478 919 1HA GLY 130 1HA GLY 130 -0.151 21.571 14.346 920 2HA GLY 130 2HA GLY 130 -1.098 22.847 15.087 921 H ASN 131 HN ASN 131 1.882 22.071 13.630 922 HA ASN 131 HA ASN 131 2.887 24.661 14.414 923 1HB ASN 131 2HB ASN 131 3.924 22.386 15.622 924 2HB ASN 131 3HB ASN 131 4.984 22.536 14.235 925 1HD2 ASN 131 1HD2 ASN 131 3.600 24.291 16.973 926 2HD2 ASN 131 2HD2 ASN 131 4.905 25.403 17.220 927 H GLU 132 HN GLU 132 4.439 25.506 12.773 928 HA GLU 132 HA GLU 132 3.798 25.158 10.240 929 1HB GLU 132 2HB GLU 132 6.239 26.079 11.649 930 2HB GLU 132 3HB GLU 132 6.525 25.600 9.988 931 1HG GLU 132 2HG GLU 132 4.510 27.071 9.341 932 2HG GLU 132 3HG GLU 132 4.527 27.679 10.984 933 H GLN 133 HN GLN 133 5.741 22.939 12.195 934 HA GLN 133 HA GLN 133 6.558 21.481 9.851 935 1HB GLN 133 2HB GLN 133 7.719 21.895 12.336 936 2HB GLN 133 3HB GLN 133 7.071 20.276 12.512 937 1HG GLN 133 2HG GLN 133 8.715 19.416 11.207 938 2HG GLN 133 3HG GLN 133 8.301 20.500 9.894 939 1HE2 GLN 133 1HE2 GLN 133 10.833 19.929 10.056 940 2HE2 GLN 133 2HE2 GLN 133 11.797 21.208 10.718 941 H SER 134 HN SER 134 4.610 20.946 12.870 942 HA SER 134 HA SER 134 3.781 18.400 12.144 943 1HB SER 134 2HB SER 134 3.481 18.855 14.410 944 2HB SER 134 3HB SER 134 2.899 20.483 14.122 945 HG SER 134 HG SER 134 0.863 19.687 13.531 946 H THR 135 HN THR 135 2.177 21.647 11.860 947 HA THR 135 HA THR 135 -0.222 20.914 10.806 948 HB THR 135 HB THR 135 1.131 23.256 11.300 949 HG1 THR 135 1HG THR 135 -0.928 24.042 10.701 950 1HG2 THR 135 1HG2 THR 135 1.442 24.512 9.302 951 2HG2 THR 135 2HG2 THR 135 2.171 22.941 8.890 952 3HG2 THR 135 3HG2 THR 135 0.532 23.339 8.320 953 H LYS 136 HN LYS 136 2.943 20.566 9.331 954 HA LYS 136 HA LYS 136 1.644 19.967 6.776 955 1HB LYS 136 2HB LYS 136 4.539 20.561 7.452 956 2HB LYS 136 3HB LYS 136 3.963 20.109 5.861 957 1HG LYS 136 2HG LYS 136 2.334 22.277 6.977 958 2HG LYS 136 3HG LYS 136 4.030 22.716 6.971 959 1HD LYS 136 2HD LYS 136 3.392 21.397 4.462 960 2HD LYS 136 3HD LYS 136 2.219 22.667 4.749 961 1HE LYS 136 2HE LYS 136 5.179 23.219 5.141 962 2HE LYS 136 3HE LYS 136 4.487 23.255 3.532 963 1HZ LYS 136 1HZ LYS 136 2.882 24.680 5.359 964 2HZ LYS 136 2HZ LYS 136 4.410 25.255 5.368 965 3HZ LYS 136 3HZ LYS 136 3.568 25.195 3.970 966 H THR 137 HN THR 137 3.444 18.631 9.521 967 HA THR 137 HA THR 137 2.985 15.969 8.393 968 HB THR 137 HB THR 137 5.316 15.335 9.056 969 HG1 THR 137 1HG THR 137 6.549 16.945 10.063 970 1HG2 THR 137 1HG2 THR 137 5.838 17.861 7.527 971 2HG2 THR 137 2HG2 THR 137 6.345 16.194 7.161 972 3HG2 THR 137 3HG2 THR 137 4.691 16.727 6.775 973 H GLY 138 HN GLY 138 4.991 16.431 11.229 974 1HA GLY 138 1HA GLY 138 3.085 16.691 13.224 975 2HA GLY 138 2HA GLY 138 3.169 14.981 12.852 976 H ASN 139 HN ASN 139 5.844 17.401 12.646 977 HA ASN 139 HA ASN 139 7.783 17.514 13.607 978 1HB ASN 139 2HB ASN 139 6.237 17.701 15.698 979 2HB ASN 139 3HB ASN 139 6.644 16.028 16.023 980 1HD2 ASN 139 1HD2 ASN 139 7.233 17.912 17.853 981 2HD2 ASN 139 2HD2 ASN 139 8.940 18.188 17.967 982 H ALA 140 HN ALA 140 6.713 14.903 12.255 983 HA ALA 140 HA ALA 140 9.069 13.343 12.794 984 1HB ALA 140 1HB ALA 140 6.384 12.620 13.846 985 2HB ALA 140 2HB ALA 140 7.250 11.320 12.993 986 3HB ALA 140 3HB ALA 140 8.002 12.119 14.394 987 H GLY 141 HN GLY 141 9.126 14.416 10.543 988 1HA GLY 141 1HA GLY 141 7.527 12.852 8.614 989 2HA GLY 141 2HA GLY 141 8.214 14.440 8.334 990 H SER 142 HN SER 142 8.832 10.961 8.454 991 HA SER 142 HA SER 142 11.222 11.419 6.940 992 1HB SER 142 2HB SER 142 11.269 10.576 9.762 993 2HB SER 142 3HB SER 142 12.078 9.423 8.719 994 HG SER 142 HG SER 142 13.731 10.783 8.884 995 H ARG 143 HN ARG 143 9.705 10.484 5.327 996 HA ARG 143 HA ARG 143 8.329 8.216 5.532 997 1HB ARG 143 2HB ARG 143 8.656 7.947 3.066 998 2HB ARG 143 3HB ARG 143 8.357 9.618 3.497 999 1HG ARG 143 2HG ARG 143 11.232 8.914 3.568 1000 2HG ARG 143 3HG ARG 143 10.516 8.682 1.985 1001 1HD ARG 143 2HD ARG 143 9.798 10.984 1.853 1002 2HD ARG 143 3HD ARG 143 10.075 11.252 3.563 1003 HE ARG 143 HE ARG 143 12.058 11.418 1.462 1004 1HH1 ARG 143 2HH2 ARG 143 11.650 10.516 4.839 1005 2HH1 ARG 143 1HH2 ARG 143 13.301 10.835 5.256 1006 1HH2 ARG 143 2HH1 ARG 143 14.236 11.839 2.012 1007 2HH2 ARG 143 1HH1 ARG 143 14.781 11.593 3.637 1008 H LEU 144 HN LEU 144 8.781 5.941 4.729 1009 HA LEU 144 HA LEU 144 11.584 5.185 4.790 1010 1HB LEU 144 2HB LEU 144 9.592 3.888 6.648 1011 2HB LEU 144 3HB LEU 144 11.304 3.540 6.504 1012 HG LEU 144 HG LEU 144 10.237 6.223 7.409 1013 1HD1 LEU 144 1HD1 LEU 144 10.610 3.685 8.916 1014 2HD1 LEU 144 2HD1 LEU 144 11.160 5.189 9.694 1015 3HD1 LEU 144 3HD1 LEU 144 9.466 5.024 9.174 1016 1HD2 LEU 144 1HD2 LEU 144 12.623 5.926 6.468 1017 2HD2 LEU 144 2HD2 LEU 144 12.414 6.768 8.023 1018 3HD2 LEU 144 3HD2 LEU 144 12.956 5.072 7.995 1019 H ALA 145 HN ALA 145 11.945 3.026 3.891 1020 HA ALA 145 HA ALA 145 11.619 1.530 2.291 1021 1HB ALA 145 1HB ALA 145 9.891 0.938 4.239 1022 2HB ALA 145 2HB ALA 145 8.703 1.297 2.962 1023 3HB ALA 145 3HB ALA 145 9.920 0.023 2.712 1024 H CYS 146 HN CYS 146 10.276 0.969 0.233 1025 HA CYS 146 HA CYS 146 8.678 3.146 -0.736 1026 1HB CYS 146 2HB CYS 146 10.045 3.679 -2.653 1027 2HB CYS 146 3HB CYS 146 10.902 4.030 -1.165 1028 H GLY 147 HN GLY 147 7.330 1.071 -0.489 1029 1HA GLY 147 1HA GLY 147 7.755 -1.277 -1.851 1030 2HA GLY 147 2HA GLY 147 6.185 -0.583 -1.495 1031 H VAL 148 HN VAL 148 5.935 1.651 -3.030 1032 HA VAL 148 HA VAL 148 5.523 2.396 -5.069 1033 HB VAL 148 HB VAL 148 7.902 0.655 -5.707 1034 1HG1 VAL 148 1HG1 VAL 148 7.772 2.368 -7.818 1035 2HG1 VAL 148 2HG1 VAL 148 7.159 0.698 -7.843 1036 3HG1 VAL 148 3HG1 VAL 148 6.043 2.051 -7.542 1037 1HG2 VAL 148 1HG2 VAL 148 8.172 2.719 -4.275 1038 2HG2 VAL 148 2HG2 VAL 148 9.140 2.698 -5.769 1039 3HG2 VAL 148 3HG2 VAL 148 7.656 3.677 -5.684 1040 H ILE 149 HN ILE 149 3.802 1.934 -6.364 1041 HA ILE 149 HA ILE 149 2.844 -0.769 -6.346 1042 HB ILE 149 HB ILE 149 1.718 1.669 -7.725 1043 1HG1 ILE 149 2HG1 ILE 149 2.145 1.958 -5.248 1044 2HG1 ILE 149 3HG1 ILE 149 0.491 2.186 -5.779 1045 1HG2 ILE 149 1HG2 ILE 149 -0.441 0.372 -7.368 1046 2HG2 ILE 149 2HG2 ILE 149 0.671 -0.245 -8.613 1047 3HG2 ILE 149 3HG2 ILE 149 0.585 -1.041 -7.023 1048 1HD1 ILE 149 1HD1 ILE 149 1.681 -0.197 -4.319 1049 2HD1 ILE 149 2HD1 ILE 149 0.298 0.817 -3.844 1050 3HD1 ILE 149 3HD1 ILE 149 0.138 -0.328 -5.198 1051 H GLY 150 HN GLY 150 3.354 -2.307 -7.802 1052 1HA GLY 150 1HA GLY 150 4.261 -1.397 -10.469 1053 2HA GLY 150 2HA GLY 150 5.016 -2.712 -9.591 1054 H ILE 151 HN ILE 151 3.037 -2.162 -12.132 1055 HA ILE 151 HA ILE 151 0.750 -3.599 -11.812 1056 HB ILE 151 HB ILE 151 2.604 -3.319 -14.169 1057 1HG1 ILE 151 2HG1 ILE 151 1.491 -1.280 -13.203 1058 2HG1 ILE 151 3HG1 ILE 151 1.144 -1.597 -14.892 1059 1HG2 ILE 151 1HG2 ILE 151 -0.242 -4.321 -14.321 1060 2HG2 ILE 151 2HG2 ILE 151 0.988 -4.259 -15.606 1061 3HG2 ILE 151 3HG2 ILE 151 1.164 -5.411 -14.261 1062 1HD1 ILE 151 1HD1 ILE 151 -0.745 -2.893 -12.992 1063 2HD1 ILE 151 2HD1 ILE 151 -0.778 -1.113 -12.990 1064 3HD1 ILE 151 3HD1 ILE 151 -1.076 -2.007 -14.500 1065 H ALA 152 HN ALA 152 0.125 -5.771 -11.868 1066 HA ALA 152 HA ALA 152 2.286 -7.730 -12.056 1067 1HB ALA 152 1HB ALA 152 0.409 -8.450 -9.964 1068 2HB ALA 152 2HB ALA 152 2.180 -8.287 -9.881 1069 3HB ALA 152 3HB ALA 152 1.142 -6.865 -9.616 1070 H GLN 153 HN GLN 153 1.221 -10.043 -12.072 1071 HA GLN 153 HA GLN 153 -0.317 -10.230 -14.279 1072 1HB GLN 153 2HB GLN 153 0.949 -12.070 -13.026 1073 2HB GLN 153 3HB GLN 153 -0.436 -12.204 -11.962 1074 1HG GLN 153 2HG GLN 153 -1.895 -12.857 -13.786 1075 2HG GLN 153 3HG GLN 153 -0.701 -12.418 -14.991 1076 1HE2 GLN 153 1HE2 GLN 153 -2.048 -14.897 -13.263 1077 2HE2 GLN 153 2HE2 GLN 153 -0.840 -16.124 -13.451 Start of MODEL 6 1 1H ALA 1 HN ALA 1 -9.115 -7.798 -12.196 2 HA ALA 1 HA ALA 1 -8.440 -7.144 -14.200 3 1HB ALA 1 1HB ALA 1 -8.763 -4.245 -13.911 4 2HB ALA 1 2HB ALA 1 -9.580 -5.377 -15.015 5 3HB ALA 1 3HB ALA 1 -10.198 -5.144 -13.362 6 H THR 2 HN THR 2 -7.527 -4.221 -12.245 7 HA THR 2 HA THR 2 -4.770 -4.635 -13.138 8 HB THR 2 HB THR 2 -6.350 -2.284 -11.986 9 HG1 THR 2 1HG THR 2 -5.724 -1.534 -14.171 10 1HG2 THR 2 1HG2 THR 2 -3.376 -2.702 -12.340 11 2HG2 THR 2 2HG2 THR 2 -4.064 -1.133 -12.824 12 3HG2 THR 2 3HG2 THR 2 -4.235 -1.701 -11.145 13 H LYS 3 HN LYS 3 -3.898 -6.226 -11.862 14 HA LYS 3 HA LYS 3 -4.120 -5.792 -8.973 15 1HB LYS 3 2HB LYS 3 -4.896 -7.971 -9.788 16 2HB LYS 3 3HB LYS 3 -3.344 -8.267 -10.546 17 1HG LYS 3 2HG LYS 3 -2.506 -7.673 -8.007 18 2HG LYS 3 3HG LYS 3 -4.087 -8.337 -7.646 19 1HD LYS 3 2HD LYS 3 -2.724 -9.988 -9.641 20 2HD LYS 3 3HD LYS 3 -1.710 -9.782 -8.227 21 1HE LYS 3 2HE LYS 3 -3.524 -10.577 -6.752 22 2HE LYS 3 3HE LYS 3 -4.636 -10.656 -8.104 23 1HZ LYS 3 1HZ LYS 3 -2.896 -12.605 -7.268 24 2HZ LYS 3 2HZ LYS 3 -3.856 -12.640 -8.589 25 3HZ LYS 3 3HZ LYS 3 -2.320 -12.099 -8.711 26 H ALA 4 HN ALA 4 -2.503 -4.581 -8.150 27 HA ALA 4 HA ALA 4 0.161 -4.968 -9.336 28 1HB ALA 4 1HB ALA 4 -0.723 -2.724 -9.738 29 2HB ALA 4 2HB ALA 4 -1.086 -2.528 -8.006 30 3HB ALA 4 3HB ALA 4 0.604 -2.642 -8.554 31 H VAL 5 HN VAL 5 1.950 -4.377 -7.632 32 HA VAL 5 HA VAL 5 1.174 -5.045 -4.928 33 HB VAL 5 HB VAL 5 3.239 -6.764 -5.163 34 1HG1 VAL 5 1HG1 VAL 5 1.539 -7.782 -4.093 35 2HG1 VAL 5 2HG1 VAL 5 0.301 -6.979 -5.089 36 3HG1 VAL 5 3HG1 VAL 5 1.126 -8.435 -5.697 37 1HG2 VAL 5 1HG2 VAL 5 3.199 -6.323 -7.689 38 2HG2 VAL 5 2HG2 VAL 5 3.196 -8.022 -7.158 39 3HG2 VAL 5 3HG2 VAL 5 1.685 -7.259 -7.711 40 H ALA 6 HN ALA 6 3.135 -4.844 -3.436 41 HA ALA 6 HA ALA 6 5.328 -3.336 -4.565 42 1HB ALA 6 1HB ALA 6 3.110 -2.136 -2.954 43 2HB ALA 6 2HB ALA 6 4.770 -1.624 -2.567 44 3HB ALA 6 3HB ALA 6 4.132 -1.404 -4.214 45 H VAL 7 HN VAL 7 6.950 -4.619 -3.800 46 HA VAL 7 HA VAL 7 6.672 -5.837 -1.199 47 HB VAL 7 HB VAL 7 8.780 -5.941 -3.360 48 1HG1 VAL 7 1HG1 VAL 7 8.682 -7.346 -0.674 49 2HG1 VAL 7 2HG1 VAL 7 9.710 -7.872 -2.029 50 3HG1 VAL 7 3HG1 VAL 7 9.953 -6.267 -1.299 51 1HG2 VAL 7 1HG2 VAL 7 7.936 -8.401 -3.350 52 2HG2 VAL 7 2HG2 VAL 7 6.511 -7.736 -2.516 53 3HG2 VAL 7 3HG2 VAL 7 6.945 -7.150 -4.140 54 H LEU 8 HN LEU 8 6.695 -4.118 0.298 55 HA LEU 8 HA LEU 8 8.215 -1.901 0.305 56 1HB LEU 8 2HB LEU 8 7.300 -3.698 2.531 57 2HB LEU 8 3HB LEU 8 8.224 -2.248 2.868 58 HG LEU 8 HG LEU 8 5.555 -2.303 2.839 59 1HD1 LEU 8 1HD1 LEU 8 5.738 0.214 2.144 60 2HD1 LEU 8 2HD1 LEU 8 6.519 -0.370 3.634 61 3HD1 LEU 8 3HD1 LEU 8 7.488 -0.113 2.163 62 1HD2 LEU 8 1HD2 LEU 8 6.329 -1.759 -0.031 63 2HD2 LEU 8 2HD2 LEU 8 5.167 -2.951 0.599 64 3HD2 LEU 8 3HD2 LEU 8 4.792 -1.213 0.682 65 H LYS 9 HN LYS 9 10.325 -1.281 0.745 66 HA LYS 9 HA LYS 9 12.211 -2.878 1.998 67 1HB LYS 9 2HB LYS 9 11.681 -4.116 -0.310 68 2HB LYS 9 3HB LYS 9 12.837 -2.951 -0.923 69 1HG LYS 9 2HG LYS 9 14.610 -3.877 0.242 70 2HG LYS 9 3HG LYS 9 13.623 -4.309 1.624 71 1HD LYS 9 2HD LYS 9 12.725 -6.260 0.487 72 2HD LYS 9 3HD LYS 9 13.394 -5.754 -1.052 73 1HE LYS 9 2HE LYS 9 15.725 -5.912 0.069 74 2HE LYS 9 3HE LYS 9 14.924 -6.722 1.401 75 1HZ LYS 9 1HZ LYS 9 13.981 -8.008 -0.762 76 2HZ LYS 9 2HZ LYS 9 15.528 -7.710 -1.191 77 3HZ LYS 9 3HZ LYS 9 15.206 -8.530 0.184 78 H GLY 10 HN GLY 10 13.756 -1.482 2.687 79 1HA GLY 10 1HA GLY 10 15.024 0.438 1.125 80 2HA GLY 10 2HA GLY 10 13.667 1.233 1.898 81 H ASP 11 HN ASP 11 13.611 1.504 4.197 82 HA ASP 11 HA ASP 11 15.852 2.126 5.434 83 1HB ASP 11 2HB ASP 11 13.671 2.545 6.434 84 2HB ASP 11 3HB ASP 11 13.353 0.830 6.604 85 H GLY 12 HN GLY 12 14.155 -1.091 5.763 86 1HA GLY 12 1HA GLY 12 16.089 -2.865 5.417 87 2HA GLY 12 2HA GLY 12 16.524 -2.259 7.002 88 HA PRO 13 HA PRO 13 13.241 -4.460 8.836 89 1HB PRO 13 2HB PRO 13 11.796 -2.733 10.384 90 2HB PRO 13 3HB PRO 13 13.353 -3.376 10.864 91 1HG PRO 13 2HG PRO 13 12.690 -0.668 9.882 92 2HG PRO 13 3HG PRO 13 14.114 -1.202 10.754 93 1HD PRO 13 2HD PRO 13 13.929 -0.646 7.946 94 2HD PRO 13 3HD PRO 13 15.318 -1.290 8.797 95 H VAL 14 HN VAL 14 11.628 -1.458 7.883 96 HA VAL 14 HA VAL 14 9.152 -2.621 7.473 97 HB VAL 14 HB VAL 14 10.506 -0.220 6.239 98 1HG1 VAL 14 1HG1 VAL 14 8.553 -1.247 4.890 99 2HG1 VAL 14 2HG1 VAL 14 7.522 -0.677 6.223 100 3HG1 VAL 14 3HG1 VAL 14 8.486 0.487 5.284 101 1HG2 VAL 14 1HG2 VAL 14 9.193 1.056 7.846 102 2HG2 VAL 14 2HG2 VAL 14 8.427 -0.435 8.443 103 3HG2 VAL 14 3HG2 VAL 14 10.169 -0.169 8.691 104 H GLN 15 HN GLN 15 9.393 -4.676 6.462 105 HA GLN 15 HA GLN 15 9.904 -4.406 3.610 106 1HB GLN 15 2HB GLN 15 11.828 -5.506 4.982 107 2HB GLN 15 3HB GLN 15 10.748 -6.874 5.167 108 1HG GLN 15 2HG GLN 15 10.571 -6.305 2.429 109 2HG GLN 15 3HG GLN 15 12.257 -5.984 2.786 110 1HE2 GLN 15 1HE2 GLN 15 9.851 -8.310 4.016 111 2HE2 GLN 15 2HE2 GLN 15 10.771 -9.749 3.728 112 H GLY 16 HN GLY 16 7.365 -4.141 4.417 113 1HA GLY 16 1HA GLY 16 6.043 -6.694 4.726 114 2HA GLY 16 2HA GLY 16 5.308 -5.106 4.630 115 H ILE 17 HN ILE 17 3.766 -6.419 3.187 116 HA ILE 17 HA ILE 17 4.661 -6.063 0.441 117 HB ILE 17 HB ILE 17 3.551 -8.639 1.554 118 1HG1 ILE 17 2HG1 ILE 17 6.106 -8.205 -0.005 119 2HG1 ILE 17 3HG1 ILE 17 6.047 -8.111 1.744 120 1HG2 ILE 17 1HG2 ILE 17 3.543 -7.524 -1.203 121 2HG2 ILE 17 2HG2 ILE 17 3.996 -9.235 -1.017 122 3HG2 ILE 17 3HG2 ILE 17 2.424 -8.660 -0.413 123 1HD1 ILE 17 1HD1 ILE 17 5.816 -10.489 -0.036 124 2HD1 ILE 17 2HD1 ILE 17 6.462 -10.364 1.618 125 3HD1 ILE 17 3HD1 ILE 17 4.705 -10.470 1.354 126 H ILE 18 HN ILE 18 3.225 -4.726 -0.501 127 HA ILE 18 HA ILE 18 0.465 -4.856 0.498 128 HB ILE 18 HB ILE 18 0.820 -2.733 1.010 129 1HG1 ILE 18 2HG1 ILE 18 0.474 -1.104 -0.785 130 2HG1 ILE 18 3HG1 ILE 18 0.867 -2.311 -1.993 131 1HG2 ILE 18 1HG2 ILE 18 3.213 -2.913 0.935 132 2HG2 ILE 18 2HG2 ILE 18 3.219 -2.765 -0.838 133 3HG2 ILE 18 3HG2 ILE 18 2.735 -1.379 0.168 134 1HD1 ILE 18 1HD1 ILE 18 -1.661 -1.850 -0.616 135 2HD1 ILE 18 2HD1 ILE 18 -1.323 -2.883 -2.025 136 3HD1 ILE 18 3HD1 ILE 18 -1.118 -3.528 -0.379 137 H ASN 19 HN ASN 19 -1.125 -5.399 -0.923 138 HA ASN 19 HA ASN 19 -0.256 -5.644 -3.693 139 1HB ASN 19 2HB ASN 19 -2.773 -7.020 -3.003 140 2HB ASN 19 3HB ASN 19 -1.334 -7.672 -3.761 141 1HD2 ASN 19 1HD2 ASN 19 0.545 -8.078 -2.356 142 2HD2 ASN 19 2HD2 ASN 19 0.284 -8.680 -0.753 143 H PHE 20 HN PHE 20 -1.655 -4.754 -5.343 144 HA PHE 20 HA PHE 20 -3.877 -3.150 -4.288 145 1HB PHE 20 2HB PHE 20 -1.545 -2.660 -6.095 146 2HB PHE 20 3HB PHE 20 -3.060 -2.111 -6.785 147 HD1 PHE 20 1HD PHE 20 -0.877 -1.779 -3.807 148 HD2 PHE 20 2HD PHE 20 -4.041 -0.094 -6.076 149 HE1 PHE 20 1HE PHE 20 -0.733 0.325 -2.445 150 HE2 PHE 20 2HE PHE 20 -3.898 2.010 -4.715 151 HZ PHE 20 HZ PHE 20 -2.245 2.194 -2.916 152 H GLU 21 HN GLU 21 -5.775 -4.135 -4.822 153 HA GLU 21 HA GLU 21 -5.874 -5.338 -7.478 154 1HB GLU 21 2HB GLU 21 -6.256 -6.702 -5.212 155 2HB GLU 21 3HB GLU 21 -7.870 -6.028 -5.323 156 1HG GLU 21 2HG GLU 21 -8.439 -7.355 -7.102 157 2HG GLU 21 3HG GLU 21 -6.899 -7.111 -7.902 158 H GLN 22 HN GLN 22 -7.671 -4.864 -8.844 159 HA GLN 22 HA GLN 22 -9.733 -3.179 -7.825 160 1HB GLN 22 2HB GLN 22 -8.007 -1.489 -8.278 161 2HB GLN 22 3HB GLN 22 -7.763 -2.117 -9.896 162 1HG GLN 22 2HG GLN 22 -10.477 -1.671 -9.952 163 2HG GLN 22 3HG GLN 22 -9.980 -0.417 -8.834 164 1HE2 GLN 22 1HE2 GLN 22 -10.494 1.200 -10.286 165 2HE2 GLN 22 2HE2 GLN 22 -9.523 1.581 -11.669 166 H LYS 23 HN LYS 23 -10.858 -5.189 -8.486 167 HA LYS 23 HA LYS 23 -10.808 -5.958 -11.224 168 1HB LYS 23 2HB LYS 23 -12.553 -6.720 -8.872 169 2HB LYS 23 3HB LYS 23 -12.773 -7.389 -10.476 170 1HG LYS 23 2HG LYS 23 -10.201 -7.940 -10.355 171 2HG LYS 23 3HG LYS 23 -10.377 -7.678 -8.632 172 1HD LYS 23 2HD LYS 23 -10.896 -9.923 -8.640 173 2HD LYS 23 3HD LYS 23 -12.503 -9.323 -9.000 174 1HE LYS 23 2HE LYS 23 -12.017 -9.559 -11.461 175 2HE LYS 23 3HE LYS 23 -10.437 -10.210 -11.072 176 1HZ LYS 23 1HZ LYS 23 -11.377 -12.163 -10.804 177 2HZ LYS 23 2HZ LYS 23 -12.338 -11.604 -9.608 178 3HZ LYS 23 3HZ LYS 23 -12.851 -11.555 -11.158 179 H GLU 24 HN GLU 24 -11.124 -3.425 -11.671 180 HA GLU 24 HA GLU 24 -13.813 -3.271 -12.611 181 1HB GLU 24 2HB GLU 24 -13.210 -2.042 -10.130 182 2HB GLU 24 3HB GLU 24 -13.230 -0.730 -11.291 183 1HG GLU 24 2HG GLU 24 -15.453 -2.809 -11.195 184 2HG GLU 24 3HG GLU 24 -15.488 -1.380 -10.182 185 H SER 25 HN SER 25 -10.713 -1.479 -12.023 186 HA SER 25 HA SER 25 -9.309 -0.665 -13.516 187 1HB SER 25 2HB SER 25 -10.647 -2.252 -15.215 188 2HB SER 25 3HB SER 25 -11.255 -0.723 -15.817 189 HG SER 25 HG SER 25 -8.736 -0.192 -15.678 190 H ASN 26 HN ASN 26 -12.449 0.374 -12.727 191 HA ASN 26 HA ASN 26 -11.645 3.084 -12.993 192 1HB ASN 26 2HB ASN 26 -13.305 1.901 -15.056 193 2HB ASN 26 3HB ASN 26 -14.299 3.022 -14.147 194 1HD2 ASN 26 1HD2 ASN 26 -12.504 2.788 -16.788 195 2HD2 ASN 26 2HD2 ASN 26 -11.871 4.391 -16.959 196 H GLY 27 HN GLY 27 -12.439 1.010 -10.949 197 1HA GLY 27 1HA GLY 27 -14.750 2.436 -9.783 198 2HA GLY 27 2HA GLY 27 -14.657 0.686 -9.789 199 HA PRO 28 HA PRO 28 -12.676 1.772 -5.935 200 1HB PRO 28 2HB PRO 28 -13.630 -0.340 -4.487 201 2HB PRO 28 3HB PRO 28 -14.456 1.202 -4.592 202 1HG PRO 28 2HG PRO 28 -15.126 -1.354 -5.918 203 2HG PRO 28 3HG PRO 28 -16.143 0.051 -5.665 204 1HD PRO 28 2HD PRO 28 -14.870 -0.727 -8.115 205 2HD PRO 28 3HD PRO 28 -15.791 0.737 -7.831 206 H VAL 29 HN VAL 29 -10.655 1.327 -5.231 207 HA VAL 29 HA VAL 29 -9.559 -1.108 -6.432 208 HB VAL 29 HB VAL 29 -8.229 1.394 -5.374 209 1HG1 VAL 29 1HG1 VAL 29 -7.070 -1.053 -5.425 210 2HG1 VAL 29 2HG1 VAL 29 -6.726 -0.511 -7.085 211 3HG1 VAL 29 3HG1 VAL 29 -6.185 0.467 -5.699 212 1HG2 VAL 29 1HG2 VAL 29 -7.925 2.093 -7.591 213 2HG2 VAL 29 2HG2 VAL 29 -8.295 0.481 -8.251 214 3HG2 VAL 29 3HG2 VAL 29 -9.597 1.482 -7.564 215 H LYS 30 HN LYS 30 -9.484 -2.846 -5.111 216 HA LYS 30 HA LYS 30 -9.642 -2.465 -2.271 217 1HB LYS 30 2HB LYS 30 -10.018 -4.645 -4.199 218 2HB LYS 30 3HB LYS 30 -9.208 -5.160 -2.734 219 1HG LYS 30 2HG LYS 30 -11.046 -3.934 -1.416 220 2HG LYS 30 3HG LYS 30 -11.892 -3.725 -2.936 221 1HD LYS 30 2HD LYS 30 -11.960 -6.185 -3.270 222 2HD LYS 30 3HD LYS 30 -11.036 -6.430 -1.802 223 1HE LYS 30 2HE LYS 30 -13.121 -4.846 -0.880 224 2HE LYS 30 3HE LYS 30 -13.919 -5.776 -2.133 225 1HZ LYS 30 1HZ LYS 30 -12.239 -7.028 -0.081 226 2HZ LYS 30 2HZ LYS 30 -13.846 -6.810 0.108 227 3HZ LYS 30 3HZ LYS 30 -13.287 -7.763 -1.095 228 H VAL 31 HN VAL 31 -7.775 -1.479 -1.507 229 HA VAL 31 HA VAL 31 -5.253 -2.789 -2.208 230 HB VAL 31 HB VAL 31 -5.393 -0.273 -0.621 231 1HG1 VAL 31 1HG1 VAL 31 -3.644 -0.571 -3.001 232 2HG1 VAL 31 2HG1 VAL 31 -3.278 0.049 -1.373 233 3HG1 VAL 31 3HG1 VAL 31 -3.343 -1.706 -1.662 234 1HG2 VAL 31 1HG2 VAL 31 -6.468 -0.586 -3.380 235 2HG2 VAL 31 2HG2 VAL 31 -6.876 0.596 -2.113 236 3HG2 VAL 31 3HG2 VAL 31 -5.401 0.808 -3.087 237 H TRP 32 HN TRP 32 -4.090 -3.940 -0.713 238 HA TRP 32 HA TRP 32 -4.612 -3.580 2.091 239 1HB TRP 32 2HB TRP 32 -5.418 -5.737 2.594 240 2HB TRP 32 3HB TRP 32 -6.463 -5.073 1.354 241 HD1 TRP 32 HD1 TRP 32 -3.929 -7.899 1.901 242 HE1 TRP 32 HE1 TRP 32 -3.980 -9.642 -0.079 243 HE3 TRP 32 HE3 TRP 32 -6.970 -5.167 -1.123 244 HZ2 TRP 32 HZ2 TRP 32 -5.258 -9.683 -2.630 245 HZ3 TRP 32 HZ3 TRP 32 -7.572 -6.131 -3.342 246 HH2 TRP 32 HH2 TRP 32 -6.768 -8.308 -4.110 247 H GLY 33 HN GLY 33 -2.876 -4.501 3.350 248 1HA GLY 33 1HA GLY 33 -0.876 -6.141 2.114 249 2HA GLY 33 2HA GLY 33 -0.372 -4.468 2.250 250 H SER 34 HN SER 34 1.300 -5.593 3.714 251 HA SER 34 HA SER 34 0.408 -5.202 6.395 252 1HB SER 34 2HB SER 34 1.263 -7.430 7.188 253 2HB SER 34 3HB SER 34 -0.177 -7.546 6.196 254 HG SER 34 HG SER 34 1.004 -8.345 4.479 255 H ILE 35 HN ILE 35 2.025 -4.013 7.341 256 HA ILE 35 HA ILE 35 4.631 -4.039 6.077 257 HB ILE 35 HB ILE 35 3.022 -2.187 7.640 258 1HG1 ILE 35 2HG1 ILE 35 4.426 -0.542 6.413 259 2HG1 ILE 35 3HG1 ILE 35 5.393 -1.858 5.778 260 1HG2 ILE 35 1HG2 ILE 35 5.961 -2.452 8.332 261 2HG2 ILE 35 2HG2 ILE 35 4.930 -1.060 8.743 262 3HG2 ILE 35 3HG2 ILE 35 4.575 -2.664 9.428 263 1HD1 ILE 35 1HD1 ILE 35 2.566 -1.082 5.118 264 2HD1 ILE 35 2HD1 ILE 35 3.868 -1.647 4.044 265 3HD1 ILE 35 3HD1 ILE 35 2.982 -2.812 5.057 266 H LYS 36 HN LYS 36 6.624 -4.158 7.453 267 HA LYS 36 HA LYS 36 6.245 -5.663 9.911 268 1HB LYS 36 2HB LYS 36 7.752 -6.713 7.502 269 2HB LYS 36 3HB LYS 36 7.963 -7.343 9.123 270 1HG LYS 36 2HG LYS 36 5.194 -7.332 8.881 271 2HG LYS 36 3HG LYS 36 5.691 -7.696 7.241 272 1HD LYS 36 2HD LYS 36 6.964 -9.635 7.957 273 2HD LYS 36 3HD LYS 36 6.829 -9.185 9.645 274 1HE LYS 36 2HE LYS 36 4.154 -9.305 8.826 275 2HE LYS 36 3HE LYS 36 4.892 -10.613 7.923 276 1HZ LYS 36 1HZ LYS 36 4.859 -11.769 9.777 277 2HZ LYS 36 2HZ LYS 36 5.915 -10.735 10.471 278 3HZ LYS 36 3HZ LYS 36 4.309 -10.503 10.649 279 H GLY 37 HN GLY 37 7.273 -4.390 11.358 280 1HA GLY 37 1HA GLY 37 9.669 -3.990 12.008 281 2HA GLY 37 2HA GLY 37 9.798 -3.119 10.493 282 H LEU 38 HN LEU 38 6.887 -2.169 10.757 283 HA LEU 38 HA LEU 38 7.412 0.309 11.857 284 1HB LEU 38 2HB LEU 38 5.180 -1.125 10.713 285 2HB LEU 38 3HB LEU 38 4.648 -0.136 12.058 286 HG LEU 38 HG LEU 38 6.098 0.790 9.567 287 1HD1 LEU 38 1HD1 LEU 38 4.012 0.889 8.782 288 2HD1 LEU 38 2HD1 LEU 38 3.296 0.655 10.395 289 3HD1 LEU 38 3HD1 LEU 38 3.796 2.281 9.870 290 1HD2 LEU 38 1HD2 LEU 38 7.046 2.224 11.085 291 2HD2 LEU 38 2HD2 LEU 38 5.557 3.111 10.679 292 3HD2 LEU 38 3HD2 LEU 38 5.649 2.168 12.186 293 H THR 39 HN THR 39 5.238 0.847 13.629 294 HA THR 39 HA THR 39 5.580 -0.934 15.890 295 HB THR 39 HB THR 39 6.250 1.220 17.258 296 HG1 THR 39 1HG THR 39 7.185 1.772 14.534 297 1HG2 THR 39 1HG2 THR 39 8.391 0.354 15.280 298 2HG2 THR 39 2HG2 THR 39 8.570 0.754 17.005 299 3HG2 THR 39 3HG2 THR 39 7.813 -0.783 16.521 300 H GLU 40 HN GLU 40 3.900 -0.836 17.372 301 HA GLU 40 HA GLU 40 1.473 -0.199 16.473 302 1HB GLU 40 2HB GLU 40 1.884 -1.504 18.519 303 2HB GLU 40 3HB GLU 40 2.459 -0.075 19.356 304 1HG GLU 40 2HG GLU 40 0.116 0.955 18.779 305 2HG GLU 40 3HG GLU 40 -0.369 -0.691 18.427 306 H GLY 41 HN GLY 41 1.143 1.762 15.401 307 1HA GLY 41 1HA GLY 41 0.312 3.984 16.748 308 2HA GLY 41 2HA GLY 41 2.028 4.252 16.521 309 H LEU 42 HN LEU 42 0.603 6.092 15.264 310 HA LEU 42 HA LEU 42 -0.050 5.174 12.591 311 1HB LEU 42 2HB LEU 42 -0.326 7.837 13.986 312 2HB LEU 42 3HB LEU 42 -0.738 7.569 12.304 313 HG LEU 42 HG LEU 42 -2.118 5.560 13.684 314 1HD1 LEU 42 1HD1 LEU 42 -3.476 7.205 15.237 315 2HD1 LEU 42 2HD1 LEU 42 -2.024 6.360 15.826 316 3HD1 LEU 42 3HD1 LEU 42 -1.917 8.061 15.311 317 1HD2 LEU 42 1HD2 LEU 42 -3.934 6.415 12.618 318 2HD2 LEU 42 2HD2 LEU 42 -3.528 8.100 13.026 319 3HD2 LEU 42 3HD2 LEU 42 -2.661 7.268 11.712 320 H HIS 43 HN HIS 43 1.006 5.917 10.684 321 HA HIS 43 HA HIS 43 3.331 7.564 10.979 322 1HB HIS 43 2HB HIS 43 3.949 4.928 9.738 323 2HB HIS 43 3HB HIS 43 5.000 6.052 10.576 324 HD1 HIS 43 HD1 HIS 43 5.100 5.902 13.198 325 HD2 HIS 43 HD2 HIS 43 2.678 3.006 11.368 326 HE1 HIS 43 HE1 HIS 43 4.617 4.144 14.982 327 H GLY 44 HN GLY 44 3.615 8.756 9.132 328 1HA GLY 44 1HA GLY 44 1.767 8.991 7.184 329 2HA GLY 44 2HA GLY 44 3.465 9.358 6.956 330 H PHE 45 HN PHE 45 1.613 8.329 4.930 331 HA PHE 45 HA PHE 45 3.243 6.207 3.973 332 1HB PHE 45 2HB PHE 45 1.000 5.581 5.629 333 2HB PHE 45 3HB PHE 45 0.406 5.340 3.998 334 HD1 PHE 45 1HD PHE 45 3.293 4.524 2.984 335 HD2 PHE 45 2HD PHE 45 0.778 3.216 6.142 336 HE1 PHE 45 1HE PHE 45 4.386 2.266 2.919 337 HE2 PHE 45 2HE PHE 45 1.871 0.957 6.077 338 HZ PHE 45 HZ PHE 45 3.662 0.509 4.466 339 H HIS 46 HN HIS 46 2.993 5.910 1.717 340 HA HIS 46 HA HIS 46 2.508 6.532 -0.330 341 1HB HIS 46 2HB HIS 46 -0.291 7.286 0.086 342 2HB HIS 46 3HB HIS 46 0.407 6.057 -0.951 343 HD1 HIS 46 HD1 HIS 46 0.937 3.683 0.209 344 HD2 HIS 46 HD2 HIS 46 -1.386 6.354 2.460 345 HE1 HIS 46 HE1 HIS 46 -0.154 2.301 2.056 346 H VAL 47 HN VAL 47 1.940 8.399 -1.790 347 HA VAL 47 HA VAL 47 2.302 10.530 -2.285 348 HB VAL 47 HB VAL 47 0.850 11.853 -0.233 349 1HG1 VAL 47 1HG1 VAL 47 -0.924 11.705 -2.239 350 2HG1 VAL 47 2HG1 VAL 47 0.509 12.758 -2.300 351 3HG1 VAL 47 3HG1 VAL 47 0.530 11.179 -3.121 352 1HG2 VAL 47 1HG2 VAL 47 -0.038 9.827 0.620 353 2HG2 VAL 47 2HG2 VAL 47 -1.304 10.503 -0.433 354 3HG2 VAL 47 3HG2 VAL 47 -0.291 9.158 -1.011 355 H HIS 48 HN HIS 48 2.896 12.853 -1.226 356 HA HIS 48 HA HIS 48 4.133 14.023 0.239 357 1HB HIS 48 2HB HIS 48 5.225 11.535 1.537 358 2HB HIS 48 3HB HIS 48 5.095 13.154 2.195 359 HD1 HIS 48 HD1 HIS 48 3.747 10.124 2.982 360 HD2 HIS 48 HD2 HIS 48 1.910 13.731 1.884 361 HE1 HIS 48 HE1 HIS 48 1.361 10.014 3.881 362 H GLU 49 HN GLU 49 5.205 14.561 -1.759 363 HA GLU 49 HA GLU 49 6.987 13.117 -3.113 364 1HB GLU 49 2HB GLU 49 6.256 15.388 -3.749 365 2HB GLU 49 3HB GLU 49 7.183 16.084 -2.435 366 1HG GLU 49 2HG GLU 49 9.140 14.611 -3.688 367 2HG GLU 49 3HG GLU 49 8.123 15.006 -5.059 368 H GLU 50 HN GLU 50 8.595 11.825 -2.305 369 HA GLU 50 HA GLU 50 9.816 12.187 0.107 370 1HB GLU 50 2HB GLU 50 9.832 10.236 -1.781 371 2HB GLU 50 3HB GLU 50 11.422 10.910 -2.079 372 1HG GLU 50 2HG GLU 50 11.424 10.782 0.680 373 2HG GLU 50 3HG GLU 50 10.415 9.403 0.289 374 H GLU 51 HN GLU 51 12.621 12.067 -0.265 375 HA GLU 51 HA GLU 51 13.117 14.843 -0.638 376 1HB GLU 51 2HB GLU 51 14.199 12.937 0.991 377 2HB GLU 51 3HB GLU 51 15.401 12.944 -0.284 378 1HG GLU 51 2HG GLU 51 14.527 15.654 0.599 379 2HG GLU 51 3HG GLU 51 15.348 14.719 1.834 380 H ASP 52 HN ASP 52 14.512 11.800 -2.079 381 HA ASP 52 HA ASP 52 15.525 13.385 -4.250 382 1HB ASP 52 2HB ASP 52 16.052 10.752 -3.056 383 2HB ASP 52 3HB ASP 52 15.936 10.636 -4.800 384 H ASN 53 HN ASN 53 15.298 11.890 -6.509 385 HA ASN 53 HA ASN 53 12.444 11.316 -6.695 386 1HB ASN 53 2HB ASN 53 13.809 13.346 -8.020 387 2HB ASN 53 3HB ASN 53 13.892 12.055 -9.202 388 1HD2 ASN 53 1HD2 ASN 53 11.528 13.327 -6.853 389 2HD2 ASN 53 2HD2 ASN 53 10.168 13.390 -7.923 390 H THR 54 HN THR 54 14.904 9.583 -6.115 391 HA THR 54 HA THR 54 14.420 7.627 -8.223 392 HB THR 54 HB THR 54 16.422 8.928 -8.953 393 HG1 THR 54 1HG THR 54 16.184 6.464 -9.000 394 1HG2 THR 54 1HG2 THR 54 17.106 9.457 -6.454 395 2HG2 THR 54 2HG2 THR 54 17.854 7.843 -6.499 396 3HG2 THR 54 3HG2 THR 54 18.394 9.106 -7.631 397 H ALA 55 HN ALA 55 16.054 8.404 -5.095 398 HA ALA 55 HA ALA 55 16.068 7.286 -3.179 399 1HB ALA 55 1HB ALA 55 13.610 6.683 -4.160 400 2HB ALA 55 2HB ALA 55 14.318 5.051 -4.089 401 3HB ALA 55 3HB ALA 55 14.229 6.048 -2.617 402 H GLY 56 HN GLY 56 15.817 4.863 -5.884 403 1HA GLY 56 1HA GLY 56 17.674 3.664 -6.677 404 2HA GLY 56 2HA GLY 56 18.497 3.906 -5.149 405 H CYS 57 HN CYS 57 15.378 2.473 -6.366 406 HA CYS 57 HA CYS 57 16.042 -0.057 -5.300 407 1HB CYS 57 2HB CYS 57 14.138 -0.182 -3.680 408 2HB CYS 57 3HB CYS 57 15.516 0.769 -3.164 409 H THR 58 HN THR 58 13.304 2.210 -6.079 410 HA THR 58 HA THR 58 12.572 0.522 -8.313 411 HB THR 58 HB THR 58 10.109 0.633 -7.279 412 HG1 THR 58 1HG THR 58 12.035 0.761 -5.065 413 1HG2 THR 58 1HG2 THR 58 11.770 -1.450 -7.546 414 2HG2 THR 58 2HG2 THR 58 11.950 -1.255 -5.785 415 3HG2 THR 58 3HG2 THR 58 10.345 -1.577 -6.486 416 H SER 59 HN SER 59 10.097 1.672 -8.902 417 HA SER 59 HA SER 59 11.006 4.094 -9.976 418 1HB SER 59 2HB SER 59 8.502 2.472 -10.034 419 2HB SER 59 3HB SER 59 8.289 4.183 -10.347 420 HG SER 59 HG SER 59 9.399 2.220 -11.963 421 H ALA 60 HN ALA 60 11.627 4.876 -7.631 422 HA ALA 60 HA ALA 60 9.577 5.677 -5.885 423 1HB ALA 60 1HB ALA 60 11.933 7.329 -5.666 424 2HB ALA 60 2HB ALA 60 11.383 6.017 -4.596 425 3HB ALA 60 3HB ALA 60 12.421 5.649 -5.995 426 H GLY 61 HN GLY 61 7.939 6.755 -7.090 427 1HA GLY 61 1HA GLY 61 8.676 9.512 -7.818 428 2HA GLY 61 2HA GLY 61 7.804 8.511 -8.963 429 HA PRO 62 HA PRO 62 5.058 9.853 -5.308 430 1HB PRO 62 2HB PRO 62 5.361 12.494 -4.676 431 2HB PRO 62 3HB PRO 62 6.092 11.198 -3.751 432 1HG PRO 62 2HG PRO 62 7.369 13.065 -5.654 433 2HG PRO 62 3HG PRO 62 8.119 12.068 -4.424 434 1HD PRO 62 2HD PRO 62 8.076 11.567 -7.248 435 2HD PRO 62 3HD PRO 62 8.725 10.514 -6.006 436 H HIS 63 HN HIS 63 3.178 11.587 -5.164 437 HA HIS 63 HA HIS 63 2.290 11.701 -7.897 438 1HB HIS 63 2HB HIS 63 0.757 10.905 -6.210 439 2HB HIS 63 3HB HIS 63 0.960 12.362 -5.258 440 HD1 HIS 63 HD1 HIS 63 -0.174 11.531 -8.839 441 HD2 HIS 63 HD2 HIS 63 -1.069 14.129 -5.669 442 HE1 HIS 63 HE1 HIS 63 -2.178 12.917 -9.595 443 H PHE 64 HN PHE 64 2.596 14.071 -5.150 444 HA PHE 64 HA PHE 64 4.033 15.977 -6.317 445 1HB PHE 64 2HB PHE 64 1.322 15.706 -7.528 446 2HB PHE 64 3HB PHE 64 1.621 17.334 -6.953 447 HD1 PHE 64 1HD PHE 64 1.512 15.728 -9.829 448 HD2 PHE 64 2HD PHE 64 4.428 17.779 -7.528 449 HE1 PHE 64 1HE PHE 64 2.809 16.229 -11.919 450 HE2 PHE 64 2HE PHE 64 5.725 18.280 -9.618 451 HZ PHE 64 HZ PHE 64 4.900 17.499 -11.788 452 H ASN 65 HN ASN 65 2.736 18.410 -5.741 453 HA ASN 65 HA ASN 65 1.785 17.971 -3.026 454 1HB ASN 65 2HB ASN 65 3.076 20.171 -2.477 455 2HB ASN 65 3HB ASN 65 4.029 18.710 -2.648 456 1HD2 ASN 65 1HD2 ASN 65 4.109 21.817 -3.293 457 2HD2 ASN 65 2HD2 ASN 65 4.970 21.883 -4.794 458 HA PRO 66 HA PRO 66 -1.019 20.732 -5.256 459 1HB PRO 66 2HB PRO 66 -3.346 19.765 -4.199 460 2HB PRO 66 3HB PRO 66 -2.642 19.156 -5.684 461 1HG PRO 66 2HG PRO 66 -2.676 17.912 -3.002 462 2HG PRO 66 3HG PRO 66 -2.370 17.162 -4.556 463 1HD PRO 66 2HD PRO 66 -0.419 17.859 -2.572 464 2HD PRO 66 3HD PRO 66 -0.103 17.217 -4.172 465 H LEU 67 HN LEU 67 -0.137 22.562 -4.251 466 HA LEU 67 HA LEU 67 -0.479 24.379 -3.012 467 1HB LEU 67 2HB LEU 67 -2.958 23.051 -2.754 468 2HB LEU 67 3HB LEU 67 -2.496 23.552 -1.140 469 HG LEU 67 HG LEU 67 -3.930 25.173 -2.413 470 1HD1 LEU 67 1HD1 LEU 67 -1.304 25.881 -1.163 471 2HD1 LEU 67 2HD1 LEU 67 -2.292 27.168 -1.896 472 3HD1 LEU 67 3HD1 LEU 67 -2.963 26.166 -0.586 473 1HD2 LEU 67 1HD2 LEU 67 -3.381 26.003 -4.407 474 2HD2 LEU 67 2HD2 LEU 67 -1.709 26.345 -3.901 475 3HD2 LEU 67 3HD2 LEU 67 -2.148 24.721 -4.482 476 H SER 68 HN SER 68 -0.869 21.304 -1.131 477 HA SER 68 HA SER 68 0.082 20.591 0.688 478 1HB SER 68 2HB SER 68 2.587 21.210 0.963 479 2HB SER 68 3HB SER 68 2.112 20.360 -0.494 480 HG SER 68 HG SER 68 3.092 21.984 -1.496 481 H ARG 69 HN ARG 69 2.116 23.532 0.871 482 HA ARG 69 HA ARG 69 1.989 25.330 2.111 483 1HB ARG 69 2HB ARG 69 -0.581 24.359 3.440 484 2HB ARG 69 3HB ARG 69 0.005 26.007 3.334 485 1HG ARG 69 2HG ARG 69 -0.132 25.588 0.709 486 2HG ARG 69 3HG ARG 69 -1.222 24.292 1.161 487 1HD ARG 69 2HD ARG 69 -2.898 25.808 1.376 488 2HD ARG 69 3HD ARG 69 -2.032 26.552 2.706 489 HE ARG 69 HE ARG 69 -1.016 27.376 0.088 490 1HH1 ARG 69 2HH2 ARG 69 -3.433 28.020 2.562 491 2HH1 ARG 69 1HH2 ARG 69 -3.669 29.668 2.085 492 1HH2 ARG 69 2HH1 ARG 69 -1.326 29.551 -0.543 493 2HH2 ARG 69 1HH1 ARG 69 -2.462 30.545 0.307 494 H LYS 70 HN LYS 70 0.692 22.395 3.823 495 HA LYS 70 HA LYS 70 1.694 21.203 5.447 496 1HB LYS 70 2HB LYS 70 3.856 21.494 5.978 497 2HB LYS 70 3HB LYS 70 3.846 22.680 4.688 498 1HG LYS 70 2HG LYS 70 3.041 24.356 6.569 499 2HG LYS 70 3HG LYS 70 3.654 23.148 7.680 500 1HD LYS 70 2HD LYS 70 5.894 23.303 6.767 501 2HD LYS 70 3HD LYS 70 5.343 24.231 5.386 502 1HE LYS 70 2HE LYS 70 4.780 26.147 6.820 503 2HE LYS 70 3HE LYS 70 5.115 25.218 8.268 504 1HZ LYS 70 1HZ LYS 70 7.374 25.159 7.748 505 2HZ LYS 70 2HZ LYS 70 7.154 25.666 6.212 506 3HZ LYS 70 3HZ LYS 70 6.927 26.702 7.454 507 H HIS 71 HN HIS 71 1.853 21.388 7.954 508 HA HIS 71 HA HIS 71 1.084 22.142 9.885 509 1HB HIS 71 2HB HIS 71 1.128 24.338 10.205 510 2HB HIS 71 3HB HIS 71 1.369 24.528 8.480 511 HD1 HIS 71 HD1 HIS 71 -0.587 25.447 7.079 512 HD2 HIS 71 HD2 HIS 71 -1.570 24.769 11.101 513 HE1 HIS 71 HE1 HIS 71 -2.861 26.541 7.454 514 H GLY 72 HN GLY 72 -0.514 21.055 7.289 515 1HA GLY 72 1HA GLY 72 -3.241 21.600 7.893 516 2HA GLY 72 2HA GLY 72 -2.610 20.356 6.833 517 H GLY 73 HN GLY 73 -4.521 19.161 7.898 518 1HA GLY 73 1HA GLY 73 -3.668 17.999 10.482 519 2HA GLY 73 2HA GLY 73 -5.332 18.195 9.968 520 HA PRO 74 HA PRO 74 -4.694 14.046 8.628 521 1HB PRO 74 2HB PRO 74 -7.332 13.366 8.420 522 2HB PRO 74 3HB PRO 74 -6.423 13.231 9.912 523 1HG PRO 74 2HG PRO 74 -8.443 15.250 9.150 524 2HG PRO 74 3HG PRO 74 -7.846 14.842 10.747 525 1HD PRO 74 2HD PRO 74 -7.132 17.138 9.182 526 2HD PRO 74 3HD PRO 74 -6.450 16.669 10.727 527 H LYS 75 HN LYS 75 -7.263 15.944 7.113 528 HA LYS 75 HA LYS 75 -6.127 16.262 4.697 529 1HB LYS 75 2HB LYS 75 -5.729 14.059 4.149 530 2HB LYS 75 3HB LYS 75 -7.142 13.464 4.995 531 1HG LYS 75 2HG LYS 75 -7.764 15.314 2.748 532 2HG LYS 75 3HG LYS 75 -6.975 13.830 2.254 533 1HD LYS 75 2HD LYS 75 -9.016 13.206 4.229 534 2HD LYS 75 3HD LYS 75 -9.723 14.200 2.971 535 1HE LYS 75 2HE LYS 75 -8.277 12.477 1.415 536 2HE LYS 75 3HE LYS 75 -8.579 11.434 2.791 537 1HZ LYS 75 1HZ LYS 75 -10.895 12.869 2.030 538 2HZ LYS 75 2HZ LYS 75 -10.316 11.973 0.793 539 3HZ LYS 75 3HZ LYS 75 -10.689 11.260 2.214 540 H ASP 76 HN ASP 76 -7.389 18.150 5.013 541 HA ASP 76 HA ASP 76 -9.721 18.252 3.680 542 1HB ASP 76 2HB ASP 76 -10.158 17.079 6.255 543 2HB ASP 76 3HB ASP 76 -10.799 18.708 6.348 544 H GLU 77 HN GLU 77 -7.987 19.307 6.666 545 HA GLU 77 HA GLU 77 -8.868 22.012 6.294 546 1HB GLU 77 2HB GLU 77 -7.536 20.436 8.425 547 2HB GLU 77 3HB GLU 77 -6.946 22.080 8.290 548 1HG GLU 77 2HG GLU 77 -9.422 22.826 8.279 549 2HG GLU 77 3HG GLU 77 -9.825 21.183 8.736 550 H GLU 78 HN GLU 78 -6.686 20.128 4.712 551 HA GLU 78 HA GLU 78 -5.363 22.282 3.597 552 1HB GLU 78 2HB GLU 78 -4.209 21.579 6.062 553 2HB GLU 78 3HB GLU 78 -3.177 20.795 4.883 554 1HG GLU 78 2HG GLU 78 -2.317 22.777 4.147 555 2HG GLU 78 3HG GLU 78 -3.896 23.530 4.057 556 H ARG 79 HN ARG 79 -3.005 21.088 2.633 557 HA ARG 79 HA ARG 79 -4.119 18.709 1.376 558 1HB ARG 79 2HB ARG 79 -2.054 20.660 0.236 559 2HB ARG 79 3HB ARG 79 -2.729 19.283 -0.611 560 1HG ARG 79 2HG ARG 79 -4.802 21.084 0.502 561 2HG ARG 79 3HG ARG 79 -3.753 21.881 -0.654 562 1HD ARG 79 2HD ARG 79 -4.211 20.106 -2.335 563 2HD ARG 79 3HD ARG 79 -5.197 19.237 -1.177 564 HE ARG 79 HE ARG 79 -5.942 21.688 -2.627 565 1HH1 ARG 79 2HH2 ARG 79 -6.671 19.565 0.083 566 2HH1 ARG 79 1HH2 ARG 79 -8.312 20.100 0.225 567 1HH2 ARG 79 2HH1 ARG 79 -8.107 22.394 -2.439 568 2HH2 ARG 79 1HH1 ARG 79 -9.134 21.720 -1.219 569 H HIS 80 HN HIS 80 -1.251 20.308 2.820 570 HA HIS 80 HA HIS 80 0.734 19.561 3.423 571 1HB HIS 80 2HB HIS 80 -0.122 18.574 5.276 572 2HB HIS 80 3HB HIS 80 -1.240 17.570 4.375 573 HD1 HIS 80 HD1 HIS 80 -0.661 15.137 4.263 574 HD2 HIS 80 HD2 HIS 80 2.695 17.528 5.046 575 HE1 HIS 80 HE1 HIS 80 1.280 13.533 4.670 576 H VAL 81 HN VAL 81 2.032 19.461 1.606 577 HA VAL 81 HA VAL 81 2.172 18.337 -0.600 578 HB VAL 81 HB VAL 81 4.165 19.140 0.501 579 1HG1 VAL 81 1HG1 VAL 81 3.627 17.667 2.615 580 2HG1 VAL 81 2HG1 VAL 81 4.671 16.479 1.798 581 3HG1 VAL 81 3HG1 VAL 81 5.308 18.089 2.212 582 1HG2 VAL 81 1HG2 VAL 81 5.325 18.181 -1.142 583 2HG2 VAL 81 2HG2 VAL 81 5.437 16.674 -0.201 584 3HG2 VAL 81 3HG2 VAL 81 4.064 16.935 -1.303 585 H GLY 82 HN GLY 82 0.519 16.803 -1.008 586 1HA GLY 82 1HA GLY 82 0.152 14.604 -1.634 587 2HA GLY 82 2HA GLY 82 1.348 14.052 -0.477 588 H ASP 83 HN ASP 83 -1.788 15.908 -0.457 589 HA ASP 83 HA ASP 83 -2.418 15.226 2.140 590 1HB ASP 83 2HB ASP 83 -4.071 16.697 1.661 591 2HB ASP 83 3HB ASP 83 -3.589 16.667 -0.024 592 H LEU 84 HN LEU 84 -3.707 13.488 3.007 593 HA LEU 84 HA LEU 84 -5.222 11.733 1.487 594 1HB LEU 84 2HB LEU 84 -3.273 10.965 0.401 595 2HB LEU 84 3HB LEU 84 -2.364 10.885 1.897 596 HG LEU 84 HG LEU 84 -3.781 9.008 2.660 597 1HD1 LEU 84 1HD1 LEU 84 -4.930 8.502 -0.011 598 2HD1 LEU 84 2HD1 LEU 84 -5.621 8.257 1.610 599 3HD1 LEU 84 3HD1 LEU 84 -5.634 9.877 0.873 600 1HD2 LEU 84 1HD2 LEU 84 -1.633 8.711 1.365 601 2HD2 LEU 84 2HD2 LEU 84 -2.756 7.330 1.336 602 3HD2 LEU 84 3HD2 LEU 84 -2.637 8.410 -0.074 603 H GLY 85 HN GLY 85 -2.893 10.473 3.874 604 1HA GLY 85 1HA GLY 85 -4.233 11.151 6.223 605 2HA GLY 85 2HA GLY 85 -4.942 9.660 5.637 606 H ASN 86 HN ASN 86 -4.066 8.518 7.500 607 HA ASN 86 HA ASN 86 -1.308 7.790 7.022 608 1HB ASN 86 2HB ASN 86 -2.387 9.147 9.448 609 2HB ASN 86 3HB ASN 86 -1.463 7.702 9.806 610 1HD2 ASN 86 1HD2 ASN 86 0.351 8.544 10.605 611 2HD2 ASN 86 2HD2 ASN 86 1.447 9.583 9.758 612 H VAL 87 HN VAL 87 -0.819 5.761 8.602 613 HA VAL 87 HA VAL 87 -3.276 4.150 8.714 614 HB VAL 87 HB VAL 87 -2.074 2.273 7.995 615 1HG1 VAL 87 1HG1 VAL 87 -2.579 4.121 6.274 616 2HG1 VAL 87 2HG1 VAL 87 -0.827 4.435 6.292 617 3HG1 VAL 87 3HG1 VAL 87 -1.439 2.837 5.802 618 1HG2 VAL 87 1HG2 VAL 87 -0.048 2.732 9.411 619 2HG2 VAL 87 2HG2 VAL 87 0.312 2.101 7.786 620 3HG2 VAL 87 3HG2 VAL 87 0.524 3.833 8.135 621 H THR 88 HN THR 88 -2.156 1.942 10.092 622 HA THR 88 HA THR 88 -0.837 2.929 12.453 623 HB THR 88 HB THR 88 -3.711 1.884 12.630 624 HG1 THR 88 1HG THR 88 -3.970 4.014 12.015 625 1HG2 THR 88 1HG2 THR 88 -3.516 2.880 14.954 626 2HG2 THR 88 2HG2 THR 88 -2.442 1.482 14.708 627 3HG2 THR 88 3HG2 THR 88 -1.780 3.134 14.654 628 H ALA 89 HN ALA 89 0.103 1.291 13.690 629 HA ALA 89 HA ALA 89 0.313 -1.205 12.251 630 1HB ALA 89 1HB ALA 89 2.390 -0.389 12.975 631 2HB ALA 89 2HB ALA 89 1.747 0.134 14.550 632 3HB ALA 89 3HB ALA 89 1.989 -1.598 14.218 633 H ASP 90 HN ASP 90 0.260 -3.302 13.574 634 HA ASP 90 HA ASP 90 -2.275 -3.426 14.788 635 1HB ASP 90 2HB ASP 90 -1.527 -5.341 13.541 636 2HB ASP 90 3HB ASP 90 0.007 -5.393 14.385 637 H LYS 91 HN LYS 91 0.354 -5.315 16.247 638 HA LYS 91 HA LYS 91 0.389 -3.574 18.591 639 1HB LYS 91 2HB LYS 91 -0.276 -5.203 20.097 640 2HB LYS 91 3HB LYS 91 -1.368 -5.467 18.753 641 1HG LYS 91 2HG LYS 91 0.415 -7.184 17.896 642 2HG LYS 91 3HG LYS 91 1.094 -7.084 19.509 643 1HD LYS 91 2HD LYS 91 -0.544 -8.400 20.376 644 2HD LYS 91 3HD LYS 91 -1.806 -7.419 19.658 645 1HE LYS 91 2HE LYS 91 -0.968 -8.660 17.405 646 2HE LYS 91 3HE LYS 91 -0.448 -9.873 18.559 647 1HZ LYS 91 1HZ LYS 91 -2.591 -10.469 18.157 648 2HZ LYS 91 2HZ LYS 91 -2.815 -9.537 19.479 649 3HZ LYS 91 3HZ LYS 91 -3.143 -8.941 17.994 650 H ASP 92 HN ASP 92 2.091 -4.715 16.136 651 HA ASP 92 HA ASP 92 4.453 -4.918 17.771 652 1HB ASP 92 2HB ASP 92 3.240 -7.204 16.548 653 2HB ASP 92 3HB ASP 92 4.648 -6.825 15.575 654 H GLY 93 HN GLY 93 2.972 -3.111 15.713 655 1HA GLY 93 1HA GLY 93 3.985 -1.519 14.352 656 2HA GLY 93 2HA GLY 93 5.305 -2.620 14.013 657 H VAL 94 HN VAL 94 3.614 -4.976 13.427 658 HA VAL 94 HA VAL 94 3.410 -4.866 10.754 659 HB VAL 94 HB VAL 94 1.477 -6.310 12.576 660 1HG1 VAL 94 1HG1 VAL 94 1.701 -8.062 10.711 661 2HG1 VAL 94 2HG1 VAL 94 0.737 -6.607 10.359 662 3HG1 VAL 94 3HG1 VAL 94 2.396 -6.749 9.729 663 1HG2 VAL 94 1HG2 VAL 94 3.370 -7.131 13.506 664 2HG2 VAL 94 2HG2 VAL 94 3.416 -8.136 12.037 665 3HG2 VAL 94 3HG2 VAL 94 4.387 -6.646 12.127 666 H ALA 95 HN ALA 95 2.576 -3.163 9.618 667 HA ALA 95 HA ALA 95 -0.084 -2.224 10.412 668 1HB ALA 95 1HB ALA 95 1.130 -0.618 8.366 669 2HB ALA 95 2HB ALA 95 0.786 -0.186 10.058 670 3HB ALA 95 3HB ALA 95 2.346 -0.928 9.629 671 H ASP 96 HN ASP 96 -1.742 -3.161 9.332 672 HA ASP 96 HA ASP 96 -1.168 -4.033 6.615 673 1HB ASP 96 2HB ASP 96 -2.872 -5.687 6.876 674 2HB ASP 96 3HB ASP 96 -1.978 -5.712 8.383 675 H VAL 97 HN VAL 97 -2.790 -3.509 4.943 676 HA VAL 97 HA VAL 97 -4.609 -1.348 5.761 677 HB VAL 97 HB VAL 97 -3.209 -1.719 3.107 678 1HG1 VAL 97 1HG1 VAL 97 -5.131 0.329 4.195 679 2HG1 VAL 97 2HG1 VAL 97 -3.947 0.776 2.943 680 3HG1 VAL 97 3HG1 VAL 97 -5.137 -0.509 2.624 681 1HG2 VAL 97 1HG2 VAL 97 -2.592 0.363 5.222 682 2HG2 VAL 97 2HG2 VAL 97 -1.688 -1.161 5.051 683 3HG2 VAL 97 3HG2 VAL 97 -1.697 0.022 3.721 684 H SER 98 HN SER 98 -6.588 -1.166 4.344 685 HA SER 98 HA SER 98 -7.314 -3.219 2.649 686 1HB SER 98 2HB SER 98 -7.513 -3.953 5.413 687 2HB SER 98 3HB SER 98 -9.150 -3.723 4.831 688 HG SER 98 HG SER 98 -7.126 -5.453 3.693 689 H ILE 99 HN ILE 99 -7.811 -1.032 1.712 690 HA ILE 99 HA ILE 99 -10.475 -0.177 2.585 691 HB ILE 99 HB ILE 99 -8.143 1.607 1.879 692 1HG1 ILE 99 2HG1 ILE 99 -9.188 2.383 4.329 693 2HG1 ILE 99 3HG1 ILE 99 -9.263 0.634 4.406 694 1HG2 ILE 99 1HG2 ILE 99 -10.047 2.610 0.896 695 2HG2 ILE 99 2HG2 ILE 99 -11.072 2.226 2.300 696 3HG2 ILE 99 3HG2 ILE 99 -9.787 3.449 2.444 697 1HD1 ILE 99 1HD1 ILE 99 -6.762 1.028 3.274 698 2HD1 ILE 99 2HD1 ILE 99 -6.901 2.418 4.378 699 3HD1 ILE 99 3HD1 ILE 99 -7.066 0.761 5.008 700 H GLU 100 HN GLU 100 -11.620 1.076 0.788 701 HA GLU 100 HA GLU 100 -10.745 -0.006 -1.777 702 1HB GLU 100 2HB GLU 100 -13.206 -0.473 -0.349 703 2HB GLU 100 3HB GLU 100 -13.588 0.440 -1.795 704 1HG GLU 100 2HG GLU 100 -11.985 -1.293 -3.000 705 2HG GLU 100 3HG GLU 100 -12.255 -2.274 -1.574 706 H ASP 101 HN ASP 101 -9.743 1.865 -2.571 707 HA ASP 101 HA ASP 101 -11.101 4.361 -2.285 708 1HB ASP 101 2HB ASP 101 -8.607 3.640 -3.895 709 2HB ASP 101 3HB ASP 101 -9.141 5.267 -3.526 710 H SER 102 HN SER 102 -12.570 5.134 -3.816 711 HA SER 102 HA SER 102 -12.625 3.723 -6.356 712 1HB SER 102 2HB SER 102 -14.945 4.661 -6.552 713 2HB SER 102 3HB SER 102 -14.732 3.633 -5.149 714 HG SER 102 HG SER 102 -15.444 6.289 -5.264 715 H VAL 103 HN VAL 103 -12.547 6.975 -4.810 716 HA VAL 103 HA VAL 103 -12.873 8.631 -6.908 717 HB VAL 103 HB VAL 103 -10.888 8.754 -4.635 718 1HG1 VAL 103 1HG1 VAL 103 -10.325 10.239 -6.642 719 2HG1 VAL 103 2HG1 VAL 103 -11.821 11.127 -6.264 720 3HG1 VAL 103 3HG1 VAL 103 -10.506 11.047 -5.066 721 1HG2 VAL 103 1HG2 VAL 103 -13.486 10.274 -4.907 722 2HG2 VAL 103 2HG2 VAL 103 -13.423 8.636 -4.215 723 3HG2 VAL 103 3HG2 VAL 103 -12.520 9.962 -3.445 724 H ILE 104 HN ILE 104 -9.512 7.766 -5.856 725 HA ILE 104 HA ILE 104 -8.320 8.487 -8.222 726 HB ILE 104 HB ILE 104 -6.459 7.012 -7.463 727 1HG1 ILE 104 2HG1 ILE 104 -6.677 5.978 -5.204 728 2HG1 ILE 104 3HG1 ILE 104 -8.398 6.304 -5.242 729 1HG2 ILE 104 1HG2 ILE 104 -5.984 8.981 -6.526 730 2HG2 ILE 104 2HG2 ILE 104 -7.673 9.264 -6.044 731 3HG2 ILE 104 3HG2 ILE 104 -6.609 8.275 -5.016 732 1HD1 ILE 104 1HD1 ILE 104 -7.157 4.837 -7.573 733 2HD1 ILE 104 2HD1 ILE 104 -7.465 3.957 -6.057 734 3HD1 ILE 104 3HD1 ILE 104 -8.812 4.730 -6.926 735 H SER 105 HN SER 105 -6.925 6.592 -9.475 736 HA SER 105 HA SER 105 -8.342 4.240 -9.969 737 1HB SER 105 2HB SER 105 -9.693 6.233 -11.146 738 2HB SER 105 3HB SER 105 -8.466 6.044 -12.382 739 HG SER 105 HG SER 105 -10.607 4.683 -12.383 740 H LEU 106 HN LEU 106 -7.260 2.948 -11.741 741 HA LEU 106 HA LEU 106 -4.488 3.836 -11.997 742 1HB LEU 106 2HB LEU 106 -5.596 1.083 -12.514 743 2HB LEU 106 3HB LEU 106 -3.921 1.551 -12.297 744 HG LEU 106 HG LEU 106 -5.068 2.372 -9.923 745 1HD1 LEU 106 1HD1 LEU 106 -6.466 0.612 -9.087 746 2HD1 LEU 106 2HD1 LEU 106 -7.182 1.231 -10.595 747 3HD1 LEU 106 3HD1 LEU 106 -6.296 -0.313 -10.598 748 1HD2 LEU 106 1HD2 LEU 106 -3.202 1.306 -9.362 749 2HD2 LEU 106 2HD2 LEU 106 -4.125 -0.214 -9.435 750 3HD2 LEU 106 3HD2 LEU 106 -3.221 0.347 -10.862 751 H SER 107 HN SER 107 -6.199 5.286 -13.599 752 HA SER 107 HA SER 107 -5.386 4.279 -16.183 753 1HB SER 107 2HB SER 107 -8.155 4.413 -15.242 754 2HB SER 107 3HB SER 107 -7.928 5.436 -16.647 755 HG SER 107 HG SER 107 -8.243 3.552 -17.667 756 H GLY 108 HN GLY 108 -6.169 6.199 -17.889 757 1HA GLY 108 1HA GLY 108 -4.617 8.437 -17.230 758 2HA GLY 108 2HA GLY 108 -5.730 8.293 -18.575 759 H ASP 109 HN ASP 109 -5.500 9.057 -15.063 760 HA ASP 109 HA ASP 109 -7.170 11.239 -15.305 761 1HB ASP 109 2HB ASP 109 -8.489 8.641 -14.639 762 2HB ASP 109 3HB ASP 109 -8.902 9.969 -13.573 763 H HIS 110 HN HIS 110 -6.920 8.504 -12.894 764 HA HIS 110 HA HIS 110 -5.469 10.345 -11.141 765 1HB HIS 110 2HB HIS 110 -7.839 8.596 -10.514 766 2HB HIS 110 3HB HIS 110 -6.687 9.014 -9.262 767 HD1 HIS 110 HD1 HIS 110 -8.371 11.122 -12.006 768 HD2 HIS 110 HD2 HIS 110 -7.733 11.096 -7.860 769 HE1 HIS 110 HE1 HIS 110 -9.431 13.262 -11.106 770 H SER 111 HN SER 111 -4.315 8.524 -13.032 771 HA SER 111 HA SER 111 -3.799 6.034 -12.340 772 1HB SER 111 2HB SER 111 -1.528 6.321 -13.310 773 2HB SER 111 3HB SER 111 -2.751 7.139 -14.262 774 HG SER 111 HG SER 111 -1.249 8.717 -14.075 775 H ILE 112 HN ILE 112 -3.525 5.195 -10.294 776 HA ILE 112 HA ILE 112 -2.059 6.728 -8.334 777 HB ILE 112 HB ILE 112 -2.682 4.697 -6.907 778 1HG1 ILE 112 2HG1 ILE 112 -4.714 4.151 -9.062 779 2HG1 ILE 112 3HG1 ILE 112 -3.164 3.334 -9.072 780 1HG2 ILE 112 1HG2 ILE 112 -5.178 5.510 -6.950 781 2HG2 ILE 112 2HG2 ILE 112 -3.875 6.595 -6.408 782 3HG2 ILE 112 3HG2 ILE 112 -4.537 6.751 -8.053 783 1HD1 ILE 112 1HD1 ILE 112 -4.233 1.829 -7.714 784 2HD1 ILE 112 2HD1 ILE 112 -3.862 3.011 -6.436 785 3HD1 ILE 112 3HD1 ILE 112 -5.465 3.011 -7.210 786 H ILE 113 HN ILE 113 -1.678 3.847 -10.410 787 HA ILE 113 HA ILE 113 0.376 2.543 -9.271 788 HB ILE 113 HB ILE 113 -0.229 3.194 -12.139 789 1HG1 ILE 113 2HG1 ILE 113 -1.600 1.618 -10.553 790 2HG1 ILE 113 3HG1 ILE 113 -1.285 1.161 -12.215 791 1HG2 ILE 113 1HG2 ILE 113 1.981 1.366 -11.160 792 2HG2 ILE 113 2HG2 ILE 113 1.434 1.552 -12.843 793 3HG2 ILE 113 3HG2 ILE 113 2.200 2.920 -12.000 794 1HD1 ILE 113 1HD1 ILE 113 0.623 -0.235 -11.523 795 2HD1 ILE 113 2HD1 ILE 113 0.424 0.296 -9.836 796 3HD1 ILE 113 3HD1 ILE 113 -0.830 -0.704 -10.608 797 H GLY 114 HN GLY 114 2.181 3.268 -8.288 798 1HA GLY 114 1HA GLY 114 4.415 4.131 -8.878 799 2HA GLY 114 2HA GLY 114 3.606 5.521 -9.575 800 H ARG 115 HN ARG 115 1.793 4.486 -6.893 801 HA ARG 115 HA ARG 115 2.787 6.709 -5.396 802 1HB ARG 115 2HB ARG 115 0.428 4.809 -5.117 803 2HB ARG 115 3HB ARG 115 0.858 5.871 -3.790 804 1HG ARG 115 2HG ARG 115 0.660 7.129 -6.512 805 2HG ARG 115 3HG ARG 115 -0.844 6.611 -5.776 806 1HD ARG 115 2HD ARG 115 0.998 8.103 -3.955 807 2HD ARG 115 3HD ARG 115 0.356 9.043 -5.288 808 HE ARG 115 HE ARG 115 -1.129 8.077 -2.989 809 1HH1 ARG 115 2HH2 ARG 115 -1.441 8.854 -6.407 810 2HH1 ARG 115 1HH2 ARG 115 -3.138 9.185 -6.308 811 1HH2 ARG 115 2HH1 ARG 115 -3.369 8.514 -2.858 812 2HH2 ARG 115 1HH1 ARG 115 -4.242 8.990 -4.276 813 H THR 116 HN THR 116 4.959 5.585 -5.046 814 HA THR 116 HA THR 116 5.458 3.250 -3.829 815 HB THR 116 HB THR 116 7.066 5.119 -4.555 816 HG1 THR 116 1HG THR 116 8.523 4.076 -3.184 817 1HG2 THR 116 1HG2 THR 116 7.841 6.562 -2.606 818 2HG2 THR 116 2HG2 THR 116 6.237 7.016 -3.229 819 3HG2 THR 116 3HG2 THR 116 6.373 6.070 -1.728 820 H LEU 117 HN LEU 117 5.664 2.404 -1.712 821 HA LEU 117 HA LEU 117 3.786 3.686 0.135 822 1HB LEU 117 2HB LEU 117 4.651 0.838 -0.292 823 2HB LEU 117 3HB LEU 117 3.890 1.346 1.203 824 HG LEU 117 HG LEU 117 2.557 0.376 -0.939 825 1HD1 LEU 117 1HD1 LEU 117 1.770 2.131 1.346 826 2HD1 LEU 117 2HD1 LEU 117 0.555 1.762 0.098 827 3HD1 LEU 117 3HD1 LEU 117 1.341 0.440 0.993 828 1HD2 LEU 117 1HD2 LEU 117 3.157 2.291 -2.359 829 2HD2 LEU 117 2HD2 LEU 117 1.399 2.168 -2.106 830 3HD2 LEU 117 3HD2 LEU 117 2.344 3.386 -1.216 831 H VAL 118 HN VAL 118 5.503 5.279 0.684 832 HA VAL 118 HA VAL 118 7.721 4.133 2.182 833 HB VAL 118 HB VAL 118 8.568 6.427 2.192 834 1HG1 VAL 118 1HG1 VAL 118 9.513 5.995 0.218 835 2HG1 VAL 118 2HG1 VAL 118 8.298 4.718 -0.033 836 3HG1 VAL 118 3HG1 VAL 118 8.000 6.364 -0.644 837 1HG2 VAL 118 1HG2 VAL 118 7.438 8.213 0.961 838 2HG2 VAL 118 2HG2 VAL 118 6.076 7.125 0.601 839 3HG2 VAL 118 3HG2 VAL 118 6.407 7.611 2.281 840 H VAL 119 HN VAL 119 7.707 3.971 4.369 841 HA VAL 119 HA VAL 119 5.401 5.066 5.749 842 HB VAL 119 HB VAL 119 7.610 3.361 6.886 843 1HG1 VAL 119 1HG1 VAL 119 4.844 4.157 7.703 844 2HG1 VAL 119 2HG1 VAL 119 5.421 2.533 8.148 845 3HG1 VAL 119 3HG1 VAL 119 6.320 3.974 8.681 846 1HG2 VAL 119 1HG2 VAL 119 6.694 2.351 4.772 847 2HG2 VAL 119 2HG2 VAL 119 6.436 1.371 6.236 848 3HG2 VAL 119 3HG2 VAL 119 5.094 2.318 5.551 849 H HIS 120 HN HIS 120 5.882 6.000 8.038 850 HA HIS 120 HA HIS 120 8.139 7.844 7.732 851 1HB HIS 120 2HB HIS 120 5.320 8.260 8.360 852 2HB HIS 120 3HB HIS 120 6.367 8.952 9.583 853 HD1 HIS 120 HD1 HIS 120 7.894 10.953 8.889 854 HD2 HIS 120 HD2 HIS 120 5.458 9.486 5.806 855 HE1 HIS 120 HE1 HIS 120 7.984 12.688 7.020 856 H GLU 121 HN GLU 121 9.508 8.209 9.525 857 HA GLU 121 HA GLU 121 10.009 6.072 11.113 858 1HB GLU 121 2HB GLU 121 11.187 8.515 10.659 859 2HB GLU 121 3HB GLU 121 10.658 8.720 12.317 860 1HG GLU 121 2HG GLU 121 12.071 7.060 13.132 861 2HG GLU 121 3HG GLU 121 11.990 6.111 11.661 862 H LYS 122 HN LYS 122 7.624 8.652 11.533 863 HA LYS 122 HA LYS 122 6.459 7.203 13.713 864 1HB LYS 122 2HB LYS 122 8.361 9.022 14.471 865 2HB LYS 122 3HB LYS 122 6.916 10.013 14.500 866 1HG LYS 122 2HG LYS 122 5.882 7.874 15.755 867 2HG LYS 122 3HG LYS 122 7.564 7.553 16.125 868 1HD LYS 122 2HD LYS 122 7.551 10.162 16.794 869 2HD LYS 122 3HD LYS 122 5.835 9.867 16.994 870 1HE LYS 122 2HE LYS 122 6.767 7.694 18.327 871 2HE LYS 122 3HE LYS 122 8.151 8.744 18.552 872 1HZ LYS 122 1HZ LYS 122 5.403 9.586 19.145 873 2HZ LYS 122 2HZ LYS 122 6.398 8.930 20.261 874 3HZ LYS 122 3HZ LYS 122 6.784 10.353 19.560 875 H ALA 123 HN ALA 123 4.538 8.895 14.577 876 HA ALA 123 HA ALA 123 2.998 9.267 12.174 877 1HB ALA 123 1HB ALA 123 1.229 9.011 13.569 878 2HB ALA 123 2HB ALA 123 2.443 8.472 14.754 879 3HB ALA 123 3HB ALA 123 1.881 10.161 14.760 880 H ASP 124 HN ASP 124 1.542 11.390 12.191 881 HA ASP 124 HA ASP 124 3.411 13.585 12.629 882 1HB ASP 124 2HB ASP 124 1.111 13.508 10.627 883 2HB ASP 124 3HB ASP 124 2.376 14.717 10.725 884 H ASP 125 HN ASP 125 2.625 14.252 14.706 885 HA ASP 125 HA ASP 125 0.066 14.166 15.565 886 1HB ASP 125 2HB ASP 125 2.314 16.138 16.140 887 2HB ASP 125 3HB ASP 125 0.786 16.232 16.993 888 H LEU 126 HN LEU 126 1.571 16.271 13.186 889 HA LEU 126 HA LEU 126 0.844 17.945 11.946 890 1HB LEU 126 2HB LEU 126 -1.835 16.822 12.758 891 2HB LEU 126 3HB LEU 126 -1.649 18.120 11.595 892 HG LEU 126 HG LEU 126 -0.132 15.576 11.146 893 1HD1 LEU 126 1HD1 LEU 126 -2.133 14.501 11.513 894 2HD1 LEU 126 2HD1 LEU 126 -3.108 15.888 10.970 895 3HD1 LEU 126 3HD1 LEU 126 -2.254 14.880 9.778 896 1HD2 LEU 126 1HD2 LEU 126 -0.309 16.153 8.847 897 2HD2 LEU 126 2HD2 LEU 126 -1.542 17.392 9.181 898 3HD2 LEU 126 3HD2 LEU 126 0.135 17.637 9.724 899 H GLY 127 HN GLY 127 1.131 18.086 15.073 900 1HA GLY 127 1HA GLY 127 -0.485 20.459 15.619 901 2HA GLY 127 2HA GLY 127 0.488 19.546 16.754 902 H LYS 128 HN LYS 128 2.111 20.809 17.549 903 HA LYS 128 HA LYS 128 3.819 22.142 15.610 904 1HB LYS 128 2HB LYS 128 2.233 23.535 17.755 905 2HB LYS 128 3HB LYS 128 3.796 24.161 17.269 906 1HG LYS 128 2HG LYS 128 2.419 23.541 14.846 907 2HG LYS 128 3HG LYS 128 1.242 24.332 15.874 908 1HD LYS 128 2HD LYS 128 3.975 25.573 15.778 909 2HD LYS 128 3HD LYS 128 3.011 25.699 14.320 910 1HE LYS 128 2HE LYS 128 2.214 27.585 15.396 911 2HE LYS 128 3HE LYS 128 1.099 26.422 16.085 912 1HZ LYS 128 1HZ LYS 128 2.010 27.594 17.858 913 2HZ LYS 128 2HZ LYS 128 2.786 26.158 17.893 914 3HZ LYS 128 3HZ LYS 128 3.542 27.480 17.304 915 H GLY 129 HN GLY 129 4.281 19.704 16.891 916 1HA GLY 129 1HA GLY 129 5.730 20.138 19.344 917 2HA GLY 129 2HA GLY 129 5.580 18.649 18.432 918 H GLY 130 HN GLY 130 6.825 21.950 17.544 919 1HA GLY 130 1HA GLY 130 9.465 21.719 17.666 920 2HA GLY 130 2HA GLY 130 9.134 20.702 16.278 921 H ASN 131 HN ASN 131 10.323 22.236 14.927 922 HA ASN 131 HA ASN 131 8.560 24.312 14.018 923 1HB ASN 131 2HB ASN 131 11.438 24.864 14.915 924 2HB ASN 131 3HB ASN 131 10.467 26.000 14.000 925 1HD2 ASN 131 1HD2 ASN 131 8.079 26.061 15.003 926 2HD2 ASN 131 2HD2 ASN 131 8.032 26.457 16.688 927 H GLU 132 HN GLU 132 8.633 24.262 11.754 928 HA GLU 132 HA GLU 132 9.327 23.925 9.721 929 1HB GLU 132 2HB GLU 132 11.540 24.995 10.794 930 2HB GLU 132 3HB GLU 132 12.193 23.398 10.485 931 1HG GLU 132 2HG GLU 132 11.539 23.565 8.094 932 2HG GLU 132 3HG GLU 132 10.801 25.127 8.384 933 H GLN 133 HN GLN 133 9.121 21.704 12.060 934 HA GLN 133 HA GLN 133 9.774 19.553 10.209 935 1HB GLN 133 2HB GLN 133 11.270 19.986 12.438 936 2HB GLN 133 3HB GLN 133 10.012 18.989 13.141 937 1HG GLN 133 2HG GLN 133 11.480 17.329 12.428 938 2HG GLN 133 3HG GLN 133 10.451 17.444 11.015 939 1HE2 GLN 133 1HE2 GLN 133 13.545 18.170 12.416 940 2HE2 GLN 133 2HE2 GLN 133 14.385 18.619 10.968 941 H SER 134 HN SER 134 8.206 20.023 13.465 942 HA SER 134 HA SER 134 6.225 18.121 12.826 943 1HB SER 134 2HB SER 134 6.547 20.110 15.108 944 2HB SER 134 3HB SER 134 5.188 19.007 15.013 945 HG SER 134 HG SER 134 7.987 18.256 15.094 946 H THR 135 HN THR 135 6.671 21.527 12.245 947 HA THR 135 HA THR 135 3.921 22.266 12.193 948 HB THR 135 HB THR 135 4.867 24.340 11.183 949 HG1 THR 135 1HG THR 135 6.832 24.114 10.156 950 1HG2 THR 135 1HG2 THR 135 5.301 23.817 13.695 951 2HG2 THR 135 2HG2 THR 135 6.926 23.300 13.183 952 3HG2 THR 135 3HG2 THR 135 6.405 24.983 12.925 953 H LYS 136 HN LYS 136 5.996 20.473 10.051 954 HA LYS 136 HA LYS 136 4.074 20.911 7.879 955 1HB LYS 136 2HB LYS 136 5.779 20.323 6.346 956 2HB LYS 136 3HB LYS 136 6.501 21.452 7.475 957 1HG LYS 136 2HG LYS 136 7.689 19.722 8.634 958 2HG LYS 136 3HG LYS 136 6.693 18.455 7.946 959 1HD LYS 136 2HD LYS 136 7.655 18.827 5.715 960 2HD LYS 136 3HD LYS 136 8.534 20.233 6.281 961 1HE LYS 136 2HE LYS 136 9.214 18.053 8.031 962 2HE LYS 136 3HE LYS 136 9.326 17.449 6.390 963 1HZ LYS 136 1HZ LYS 136 10.546 19.695 6.038 964 2HZ LYS 136 2HZ LYS 136 10.822 19.591 7.644 965 3HZ LYS 136 3HZ LYS 136 11.343 18.406 6.648 966 H THR 137 HN THR 137 5.610 18.539 10.052 967 HA THR 137 HA THR 137 3.709 16.541 9.012 968 HB THR 137 HB THR 137 5.537 14.866 9.613 969 HG1 THR 137 1HG THR 137 7.093 17.347 9.658 970 1HG2 THR 137 1HG2 THR 137 5.628 16.832 7.411 971 2HG2 THR 137 2HG2 THR 137 7.248 16.242 7.851 972 3HG2 THR 137 3HG2 THR 137 5.980 15.088 7.373 973 H GLY 138 HN GLY 138 5.932 16.232 11.786 974 1HA GLY 138 1HA GLY 138 4.551 17.127 13.896 975 2HA GLY 138 2HA GLY 138 3.645 15.683 13.488 976 H ASN 139 HN ASN 139 7.201 16.383 13.264 977 HA ASN 139 HA ASN 139 8.931 15.443 14.174 978 1HB ASN 139 2HB ASN 139 7.342 15.744 16.334 979 2HB ASN 139 3HB ASN 139 7.328 13.992 16.295 980 1HD2 ASN 139 1HD2 ASN 139 8.352 15.014 18.459 981 2HD2 ASN 139 2HD2 ASN 139 10.081 14.928 18.521 982 H ALA 140 HN ALA 140 6.717 13.951 12.452 983 HA ALA 140 HA ALA 140 6.579 11.295 13.003 984 1HB ALA 140 1HB ALA 140 6.986 12.590 10.276 985 2HB ALA 140 2HB ALA 140 6.237 11.006 10.592 986 3HB ALA 140 3HB ALA 140 5.437 12.496 11.147 987 H GLY 141 HN GLY 141 9.010 12.690 10.683 988 1HA GLY 141 1HA GLY 141 11.361 11.990 11.619 989 2HA GLY 141 2HA GLY 141 10.745 10.397 11.227 990 H SER 142 HN SER 142 10.532 9.728 9.049 991 HA SER 142 HA SER 142 10.775 11.613 6.962 992 1HB SER 142 2HB SER 142 13.201 11.124 7.946 993 2HB SER 142 3HB SER 142 13.063 9.641 7.024 994 HG SER 142 HG SER 142 13.407 12.284 6.136 995 H ARG 143 HN ARG 143 10.759 10.442 4.768 996 HA ARG 143 HA ARG 143 8.964 8.279 4.994 997 1HB ARG 143 2HB ARG 143 10.354 9.476 2.543 998 2HB ARG 143 3HB ARG 143 9.024 8.337 2.471 999 1HG ARG 143 2HG ARG 143 7.590 10.089 2.580 1000 2HG ARG 143 3HG ARG 143 8.120 10.365 4.227 1001 1HD ARG 143 2HD ARG 143 10.081 11.429 2.325 1002 2HD ARG 143 3HD ARG 143 8.491 12.093 2.005 1003 HE ARG 143 HE ARG 143 9.065 12.127 4.846 1004 1HH1 ARG 143 2HH2 ARG 143 9.761 13.807 1.833 1005 2HH1 ARG 143 1HH2 ARG 143 10.096 15.320 2.606 1006 1HH2 ARG 143 2HH1 ARG 143 9.507 14.124 5.866 1007 2HH2 ARG 143 1HH1 ARG 143 9.950 15.502 4.915 1008 H LEU 144 HN LEU 144 9.465 6.103 5.045 1009 HA LEU 144 HA LEU 144 12.112 5.338 4.026 1010 1HB LEU 144 2HB LEU 144 12.081 3.587 5.832 1011 2HB LEU 144 3HB LEU 144 12.373 5.240 6.333 1012 HG LEU 144 HG LEU 144 9.536 4.518 6.450 1013 1HD1 LEU 144 1HD1 LEU 144 10.593 2.300 6.928 1014 2HD1 LEU 144 2HD1 LEU 144 11.393 3.045 8.333 1015 3HD1 LEU 144 3HD1 LEU 144 9.617 2.961 8.262 1016 1HD2 LEU 144 1HD2 LEU 144 10.909 5.250 8.930 1017 2HD2 LEU 144 2HD2 LEU 144 11.208 6.385 7.592 1018 3HD2 LEU 144 3HD2 LEU 144 9.540 6.024 8.097 1019 H ALA 145 HN ALA 145 12.239 3.268 2.995 1020 HA ALA 145 HA ALA 145 11.450 1.416 2.007 1021 1HB ALA 145 1HB ALA 145 9.704 1.479 3.965 1022 2HB ALA 145 2HB ALA 145 8.593 2.088 2.714 1023 3HB ALA 145 3HB ALA 145 9.363 0.494 2.522 1024 H CYS 146 HN CYS 146 10.002 0.887 0.019 1025 HA CYS 146 HA CYS 146 8.967 3.201 -1.320 1026 1HB CYS 146 2HB CYS 146 10.418 2.992 -3.291 1027 2HB CYS 146 3HB CYS 146 11.270 3.539 -1.861 1028 H GLY 147 HN GLY 147 7.166 1.565 -0.814 1029 1HA GLY 147 1HA GLY 147 7.211 -0.909 -2.315 1030 2HA GLY 147 2HA GLY 147 5.931 -0.297 -1.286 1031 H VAL 148 HN VAL 148 7.632 0.617 -4.374 1032 HA VAL 148 HA VAL 148 5.480 2.099 -5.375 1033 HB VAL 148 HB VAL 148 7.873 0.756 -6.623 1034 1HG1 VAL 148 1HG1 VAL 148 7.195 2.499 -8.536 1035 2HG1 VAL 148 2HG1 VAL 148 6.614 0.817 -8.530 1036 3HG1 VAL 148 3HG1 VAL 148 5.564 2.124 -7.932 1037 1HG2 VAL 148 1HG2 VAL 148 8.894 2.854 -6.581 1038 2HG2 VAL 148 2HG2 VAL 148 7.345 3.718 -6.423 1039 3HG2 VAL 148 3HG2 VAL 148 8.004 2.812 -5.039 1040 H ILE 149 HN ILE 149 3.523 1.456 -6.102 1041 HA ILE 149 HA ILE 149 2.909 -1.300 -6.256 1042 HB ILE 149 HB ILE 149 1.304 1.068 -7.218 1043 1HG1 ILE 149 2HG1 ILE 149 0.263 0.475 -4.790 1044 2HG1 ILE 149 3HG1 ILE 149 1.947 0.096 -4.486 1045 1HG2 ILE 149 1HG2 ILE 149 0.703 -1.824 -6.741 1046 2HG2 ILE 149 2HG2 ILE 149 -0.556 -0.611 -6.410 1047 3HG2 ILE 149 3HG2 ILE 149 0.153 -0.737 -8.038 1048 1HD1 ILE 149 1HD1 ILE 149 2.601 2.288 -4.610 1049 2HD1 ILE 149 2HD1 ILE 149 1.525 2.630 -5.987 1050 3HD1 ILE 149 3HD1 ILE 149 0.876 2.626 -4.330 1051 H GLY 150 HN GLY 150 3.492 -2.657 -7.857 1052 1HA GLY 150 1HA GLY 150 3.639 -1.534 -10.592 1053 2HA GLY 150 2HA GLY 150 4.779 -2.706 -9.962 1054 H ILE 151 HN ILE 151 2.602 -2.686 -12.211 1055 HA ILE 151 HA ILE 151 0.508 -4.318 -11.634 1056 HB ILE 151 HB ILE 151 2.226 -4.117 -14.102 1057 1HG1 ILE 151 2HG1 ILE 151 1.010 -2.079 -13.338 1058 2HG1 ILE 151 3HG1 ILE 151 0.540 -2.643 -14.929 1059 1HG2 ILE 151 1HG2 ILE 151 1.239 -5.949 -14.883 1060 2HG2 ILE 151 2HG2 ILE 151 0.150 -6.049 -13.479 1061 3HG2 ILE 151 3HG2 ILE 151 -0.289 -5.036 -14.875 1062 1HD1 ILE 151 1HD1 ILE 151 -1.251 -4.032 -13.383 1063 2HD1 ILE 151 2HD1 ILE 151 -1.038 -2.561 -12.404 1064 3HD1 ILE 151 3HD1 ILE 151 -1.585 -2.435 -14.093 1065 H ALA 152 HN ALA 152 0.138 -6.499 -11.306 1066 HA ALA 152 HA ALA 152 2.551 -8.059 -10.792 1067 1HB ALA 152 1HB ALA 152 1.327 -9.135 -9.183 1068 2HB ALA 152 2HB ALA 152 0.363 -7.640 -9.258 1069 3HB ALA 152 3HB ALA 152 -0.173 -9.090 -10.140 1070 H GLN 153 HN GLN 153 2.293 -10.509 -11.339 1071 HA GLN 153 HA GLN 153 2.342 -10.831 -13.991 1072 1HB GLN 153 2HB GLN 153 1.861 -13.285 -13.524 1073 2HB GLN 153 3HB GLN 153 3.138 -12.581 -12.553 1074 1HG GLN 153 2HG GLN 153 1.939 -12.756 -10.595 1075 2HG GLN 153 3HG GLN 153 0.422 -12.328 -11.360 1076 1HE2 GLN 153 1HE2 GLN 153 -0.842 -13.918 -10.618 1077 2HE2 GLN 153 2HE2 GLN 153 -0.642 -15.605 -10.956 Start of MODEL 7 1 1H ALA 1 HN ALA 1 -8.021 -9.445 -15.438 2 HA ALA 1 HA ALA 1 -7.803 -7.283 -16.199 3 1HB ALA 1 1HB ALA 1 -9.176 -7.581 -13.567 4 2HB ALA 1 2HB ALA 1 -8.881 -5.916 -14.124 5 3HB ALA 1 3HB ALA 1 -9.816 -7.041 -15.138 6 H THR 2 HN THR 2 -7.411 -6.148 -12.877 7 HA THR 2 HA THR 2 -4.623 -5.427 -13.488 8 HB THR 2 HB THR 2 -6.962 -3.707 -12.564 9 HG1 THR 2 1HG THR 2 -6.469 -2.891 -14.569 10 1HG2 THR 2 1HG2 THR 2 -3.986 -3.352 -12.073 11 2HG2 THR 2 2HG2 THR 2 -4.990 -1.931 -12.449 12 3HG2 THR 2 3HG2 THR 2 -5.349 -2.921 -11.013 13 H LYS 3 HN LYS 3 -3.151 -5.681 -11.870 14 HA LYS 3 HA LYS 3 -4.057 -5.991 -9.166 15 1HB LYS 3 2HB LYS 3 -4.561 -8.217 -9.869 16 2HB LYS 3 3HB LYS 3 -3.044 -8.372 -10.733 17 1HG LYS 3 2HG LYS 3 -2.206 -7.691 -8.153 18 2HG LYS 3 3HG LYS 3 -3.604 -8.701 -7.844 19 1HD LYS 3 2HD LYS 3 -1.769 -9.738 -9.954 20 2HD LYS 3 3HD LYS 3 -1.065 -9.661 -8.351 21 1HE LYS 3 2HE LYS 3 -3.504 -10.750 -7.732 22 2HE LYS 3 3HE LYS 3 -3.309 -11.369 -9.360 23 1HZ LYS 3 1HZ LYS 3 -1.880 -12.822 -8.574 24 2HZ LYS 3 2HZ LYS 3 -0.892 -11.645 -8.020 25 3HZ LYS 3 3HZ LYS 3 -2.064 -12.248 -7.056 26 H ALA 4 HN ALA 4 -2.720 -4.189 -8.763 27 HA ALA 4 HA ALA 4 0.049 -4.341 -9.566 28 1HB ALA 4 1HB ALA 4 -0.273 -2.118 -9.546 29 2HB ALA 4 2HB ALA 4 -1.865 -2.318 -8.776 30 3HB ALA 4 3HB ALA 4 -0.401 -2.189 -7.773 31 H VAL 5 HN VAL 5 1.801 -4.003 -7.892 32 HA VAL 5 HA VAL 5 1.103 -4.978 -5.251 33 HB VAL 5 HB VAL 5 3.349 -6.347 -6.670 34 1HG1 VAL 5 1HG1 VAL 5 3.419 -7.095 -4.531 35 2HG1 VAL 5 2HG1 VAL 5 1.707 -6.717 -4.226 36 3HG1 VAL 5 3HG1 VAL 5 2.148 -8.203 -5.102 37 1HG2 VAL 5 1HG2 VAL 5 1.589 -6.689 -8.257 38 2HG2 VAL 5 2HG2 VAL 5 1.744 -8.184 -7.304 39 3HG2 VAL 5 3HG2 VAL 5 0.414 -7.049 -6.969 40 H ALA 6 HN ALA 6 2.941 -4.692 -3.710 41 HA ALA 6 HA ALA 6 5.150 -3.103 -4.645 42 1HB ALA 6 1HB ALA 6 2.737 -1.858 -3.639 43 2HB ALA 6 2HB ALA 6 4.087 -1.558 -2.518 44 3HB ALA 6 3HB ALA 6 4.232 -1.095 -4.230 45 H VAL 7 HN VAL 7 6.477 -4.758 -3.825 46 HA VAL 7 HA VAL 7 6.074 -5.632 -1.109 47 HB VAL 7 HB VAL 7 8.045 -7.038 -1.587 48 1HG1 VAL 7 1HG1 VAL 7 5.469 -7.280 -2.571 49 2HG1 VAL 7 2HG1 VAL 7 6.480 -7.587 -4.004 50 3HG1 VAL 7 3HG1 VAL 7 6.701 -8.565 -2.533 51 1HG2 VAL 7 1HG2 VAL 7 8.492 -5.124 -3.652 52 2HG2 VAL 7 2HG2 VAL 7 9.495 -6.522 -3.199 53 3HG2 VAL 7 3HG2 VAL 7 8.219 -6.703 -4.426 54 H LEU 8 HN LEU 8 6.609 -4.243 0.505 55 HA LEU 8 HA LEU 8 8.294 -2.083 0.249 56 1HB LEU 8 2HB LEU 8 7.291 -3.693 2.570 57 2HB LEU 8 3HB LEU 8 8.457 -2.411 2.832 58 HG LEU 8 HG LEU 8 5.971 -1.867 3.125 59 1HD1 LEU 8 1HD1 LEU 8 6.364 0.371 1.742 60 2HD1 LEU 8 2HD1 LEU 8 7.245 0.014 3.247 61 3HD1 LEU 8 3HD1 LEU 8 8.023 -0.268 1.671 62 1HD2 LEU 8 1HD2 LEU 8 4.957 -2.843 1.239 63 2HD2 LEU 8 2HD2 LEU 8 4.895 -1.088 0.950 64 3HD2 LEU 8 3HD2 LEU 8 6.112 -2.085 0.117 65 H LYS 9 HN LYS 9 10.451 -1.710 1.295 66 HA LYS 9 HA LYS 9 12.187 -3.526 2.196 67 1HB LYS 9 2HB LYS 9 13.458 -4.119 -0.005 68 2HB LYS 9 3HB LYS 9 12.097 -5.093 0.514 69 1HG LYS 9 2HG LYS 9 10.889 -4.546 -1.333 70 2HG LYS 9 3HG LYS 9 11.163 -2.833 -1.090 71 1HD LYS 9 2HD LYS 9 13.654 -3.593 -1.961 72 2HD LYS 9 3HD LYS 9 12.667 -4.773 -2.799 73 1HE LYS 9 2HE LYS 9 11.269 -2.338 -3.134 74 2HE LYS 9 3HE LYS 9 12.954 -1.894 -3.313 75 1HZ LYS 9 1HZ LYS 9 11.522 -3.972 -4.811 76 2HZ LYS 9 2HZ LYS 9 12.144 -2.581 -5.398 77 3HZ LYS 9 3HZ LYS 9 13.141 -3.769 -4.887 78 H GLY 10 HN GLY 10 13.337 -1.930 3.162 79 1HA GLY 10 1HA GLY 10 14.884 -0.158 1.461 80 2HA GLY 10 2HA GLY 10 13.696 0.631 2.479 81 H ASP 11 HN ASP 11 13.895 0.550 4.808 82 HA ASP 11 HA ASP 11 16.315 0.927 5.811 83 1HB ASP 11 2HB ASP 11 13.985 1.091 6.937 84 2HB ASP 11 3HB ASP 11 14.182 -0.596 7.366 85 H GLY 12 HN GLY 12 14.462 -2.187 6.283 86 1HA GLY 12 1HA GLY 12 16.386 -3.961 5.423 87 2HA GLY 12 2HA GLY 12 16.772 -3.644 7.103 88 HA PRO 13 HA PRO 13 13.440 -6.117 8.396 89 1HB PRO 13 2HB PRO 13 12.200 -4.765 10.422 90 2HB PRO 13 3HB PRO 13 13.714 -5.623 10.628 91 1HG PRO 13 2HG PRO 13 13.246 -2.711 10.430 92 2HG PRO 13 3HG PRO 13 14.650 -3.557 11.050 93 1HD PRO 13 2HD PRO 13 14.413 -2.263 8.501 94 2HD PRO 13 3HD PRO 13 15.773 -3.208 9.074 95 H VAL 14 HN VAL 14 12.310 -2.838 7.871 96 HA VAL 14 HA VAL 14 9.627 -3.403 7.635 97 HB VAL 14 HB VAL 14 11.499 -1.324 6.621 98 1HG1 VAL 14 1HG1 VAL 14 9.276 -0.223 5.671 99 2HG1 VAL 14 2HG1 VAL 14 10.300 -1.273 4.663 100 3HG1 VAL 14 3HG1 VAL 14 8.825 -1.925 5.415 101 1HG2 VAL 14 1HG2 VAL 14 10.777 -0.434 8.541 102 2HG2 VAL 14 2HG2 VAL 14 9.211 -0.169 7.738 103 3HG2 VAL 14 3HG2 VAL 14 9.482 -1.644 8.696 104 H GLN 15 HN GLN 15 9.219 -5.400 6.611 105 HA GLN 15 HA GLN 15 9.838 -5.358 3.759 106 1HB GLN 15 2HB GLN 15 11.019 -7.133 5.220 107 2HB GLN 15 3HB GLN 15 9.445 -7.879 5.417 108 1HG GLN 15 2HG GLN 15 10.011 -7.236 2.595 109 2HG GLN 15 3HG GLN 15 11.230 -8.292 3.281 110 1HE2 GLN 15 1HE2 GLN 15 10.128 -9.958 4.898 111 2HE2 GLN 15 2HE2 GLN 15 8.840 -10.886 4.205 112 H GLY 16 HN GLY 16 7.576 -4.021 4.630 113 1HA GLY 16 1HA GLY 16 5.247 -5.485 4.986 114 2HA GLY 16 2HA GLY 16 5.361 -3.886 4.280 115 H ILE 17 HN ILE 17 3.416 -5.709 3.383 116 HA ILE 17 HA ILE 17 4.326 -6.063 0.640 117 HB ILE 17 HB ILE 17 3.206 -8.236 2.397 118 1HG1 ILE 17 2HG1 ILE 17 5.541 -8.407 0.497 119 2HG1 ILE 17 3HG1 ILE 17 5.737 -7.743 2.107 120 1HG2 ILE 17 1HG2 ILE 17 3.334 -8.214 -0.631 121 2HG2 ILE 17 2HG2 ILE 17 2.907 -9.605 0.393 122 3HG2 ILE 17 3HG2 ILE 17 1.856 -8.169 0.360 123 1HD1 ILE 17 1HD1 ILE 17 4.199 -10.267 2.100 124 2HD1 ILE 17 2HD1 ILE 17 5.850 -10.444 1.457 125 3HD1 ILE 17 3HD1 ILE 17 5.597 -9.792 3.094 126 H ILE 18 HN ILE 18 3.049 -4.492 -0.249 127 HA ILE 18 HA ILE 18 0.203 -4.601 0.466 128 HB ILE 18 HB ILE 18 0.663 -2.486 1.028 129 1HG1 ILE 18 2HG1 ILE 18 0.154 -0.898 -0.729 130 2HG1 ILE 18 3HG1 ILE 18 0.599 -2.052 -1.971 131 1HG2 ILE 18 1HG2 ILE 18 3.098 -2.783 0.713 132 2HG2 ILE 18 2HG2 ILE 18 2.909 -2.344 -1.002 133 3HG2 ILE 18 3HG2 ILE 18 2.533 -1.154 0.268 134 1HD1 ILE 18 1HD1 ILE 18 -1.343 -3.276 -0.191 135 2HD1 ILE 18 2HD1 ILE 18 -1.956 -1.708 -0.767 136 3HD1 ILE 18 3HD1 ILE 18 -1.474 -2.959 -1.937 137 H ASN 19 HN ASN 19 -1.269 -5.119 -1.093 138 HA ASN 19 HA ASN 19 -0.188 -5.293 -3.796 139 1HB ASN 19 2HB ASN 19 -2.533 -7.005 -3.280 140 2HB ASN 19 3HB ASN 19 -0.988 -7.439 -3.984 141 1HD2 ASN 19 1HD2 ASN 19 -2.875 -7.153 -1.085 142 2HD2 ASN 19 2HD2 ASN 19 -1.829 -8.019 -0.009 143 H PHE 20 HN PHE 20 -1.704 -4.675 -5.516 144 HA PHE 20 HA PHE 20 -4.037 -3.215 -4.495 145 1HB PHE 20 2HB PHE 20 -1.921 -2.796 -6.620 146 2HB PHE 20 3HB PHE 20 -3.530 -2.229 -7.020 147 HD1 PHE 20 1HD PHE 20 -1.784 -2.183 -3.730 148 HD2 PHE 20 2HD PHE 20 -3.370 0.089 -6.944 149 HE1 PHE 20 1HE PHE 20 -1.358 -0.069 -2.446 150 HE2 PHE 20 2HE PHE 20 -2.944 2.203 -5.660 151 HZ PHE 20 HZ PHE 20 -1.943 2.099 -3.426 152 H GLU 21 HN GLU 21 -6.055 -3.687 -5.318 153 HA GLU 21 HA GLU 21 -6.074 -5.555 -7.558 154 1HB GLU 21 2HB GLU 21 -7.430 -5.715 -4.890 155 2HB GLU 21 3HB GLU 21 -8.368 -6.239 -6.274 156 1HG GLU 21 2HG GLU 21 -5.531 -7.231 -5.756 157 2HG GLU 21 3HG GLU 21 -6.941 -8.041 -5.103 158 H GLN 22 HN GLN 22 -7.365 -4.959 -9.272 159 HA GLN 22 HA GLN 22 -9.605 -3.257 -8.794 160 1HB GLN 22 2HB GLN 22 -7.941 -1.516 -8.937 161 2HB GLN 22 3HB GLN 22 -7.168 -2.265 -10.320 162 1HG GLN 22 2HG GLN 22 -9.938 -1.871 -11.000 163 2HG GLN 22 3HG GLN 22 -9.361 -0.377 -10.288 164 1HE2 GLN 22 1HE2 GLN 22 -9.700 0.483 -12.423 165 2HE2 GLN 22 2HE2 GLN 22 -8.475 0.333 -13.639 166 H LYS 23 HN LYS 23 -10.050 -5.685 -9.571 167 HA LYS 23 HA LYS 23 -9.673 -6.101 -12.376 168 1HB LYS 23 2HB LYS 23 -11.295 -7.634 -10.322 169 2HB LYS 23 3HB LYS 23 -10.976 -8.163 -11.962 170 1HG LYS 23 2HG LYS 23 -8.419 -7.644 -11.190 171 2HG LYS 23 3HG LYS 23 -9.105 -7.998 -9.617 172 1HD LYS 23 2HD LYS 23 -9.306 -10.228 -10.074 173 2HD LYS 23 3HD LYS 23 -9.973 -9.935 -11.668 174 1HE LYS 23 2HE LYS 23 -7.673 -9.455 -12.541 175 2HE LYS 23 3HE LYS 23 -7.007 -9.754 -10.947 176 1HZ LYS 23 1HZ LYS 23 -7.310 -11.618 -12.798 177 2HZ LYS 23 2HZ LYS 23 -7.248 -11.941 -11.199 178 3HZ LYS 23 3HZ LYS 23 -8.691 -11.843 -11.956 179 H GLU 24 HN GLU 24 -10.680 -3.830 -12.766 180 HA GLU 24 HA GLU 24 -13.368 -4.352 -13.598 181 1HB GLU 24 2HB GLU 24 -12.864 -2.867 -11.184 182 2HB GLU 24 3HB GLU 24 -13.456 -1.738 -12.386 183 1HG GLU 24 2HG GLU 24 -14.819 -4.400 -11.767 184 2HG GLU 24 3HG GLU 24 -15.267 -2.888 -11.004 185 H SER 25 HN SER 25 -10.654 -1.992 -13.244 186 HA SER 25 HA SER 25 -9.571 -0.939 -14.857 187 1HB SER 25 2HB SER 25 -10.733 -2.679 -16.475 188 2HB SER 25 3HB SER 25 -11.782 -1.337 -16.886 189 HG SER 25 HG SER 25 -9.295 -1.846 -17.810 190 H ASN 26 HN ASN 26 -12.810 -0.481 -13.801 191 HA ASN 26 HA ASN 26 -12.458 2.350 -14.026 192 1HB ASN 26 2HB ASN 26 -14.867 2.584 -14.948 193 2HB ASN 26 3HB ASN 26 -13.649 2.071 -16.099 194 1HD2 ASN 26 1HD2 ASN 26 -15.297 1.166 -17.369 195 2HD2 ASN 26 2HD2 ASN 26 -16.012 -0.368 -17.001 196 H GLY 27 HN GLY 27 -12.670 0.062 -12.000 197 1HA GLY 27 1HA GLY 27 -15.070 0.989 -10.537 198 2HA GLY 27 2HA GLY 27 -14.445 -0.647 -10.475 199 HA PRO 28 HA PRO 28 -12.525 1.507 -7.004 200 1HB PRO 28 2HB PRO 28 -13.072 -0.366 -5.091 201 2HB PRO 28 3HB PRO 28 -14.105 1.015 -5.404 202 1HG PRO 28 2HG PRO 28 -14.522 -1.816 -6.145 203 2HG PRO 28 3HG PRO 28 -15.697 -0.519 -6.062 204 1HD PRO 28 2HD PRO 28 -14.520 -1.620 -8.435 205 2HD PRO 28 3HD PRO 28 -15.606 -0.248 -8.343 206 H VAL 29 HN VAL 29 -10.692 0.935 -5.529 207 HA VAL 29 HA VAL 29 -9.229 -1.290 -6.773 208 HB VAL 29 HB VAL 29 -8.025 1.292 -5.771 209 1HG1 VAL 29 1HG1 VAL 29 -6.429 0.013 -7.737 210 2HG1 VAL 29 2HG1 VAL 29 -6.092 0.204 -6.000 211 3HG1 VAL 29 3HG1 VAL 29 -6.942 -1.245 -6.587 212 1HG2 VAL 29 1HG2 VAL 29 -9.376 1.952 -7.615 213 2HG2 VAL 29 2HG2 VAL 29 -7.715 1.805 -8.238 214 3HG2 VAL 29 3HG2 VAL 29 -8.906 0.523 -8.567 215 H LYS 30 HN LYS 30 -9.855 -2.768 -5.139 216 HA LYS 30 HA LYS 30 -9.788 -2.167 -2.416 217 1HB LYS 30 2HB LYS 30 -9.645 -4.769 -3.953 218 2HB LYS 30 3HB LYS 30 -9.688 -4.707 -2.203 219 1HG LYS 30 2HG LYS 30 -11.816 -3.327 -2.360 220 2HG LYS 30 3HG LYS 30 -11.791 -3.558 -4.097 221 1HD LYS 30 2HD LYS 30 -11.466 -6.163 -3.072 222 2HD LYS 30 3HD LYS 30 -12.621 -5.428 -1.978 223 1HE LYS 30 2HE LYS 30 -14.249 -5.184 -3.622 224 2HE LYS 30 3HE LYS 30 -13.079 -4.935 -4.903 225 1HZ LYS 30 1HZ LYS 30 -12.718 -7.496 -3.936 226 2HZ LYS 30 2HZ LYS 30 -14.324 -7.302 -4.155 227 3HZ LYS 30 3HZ LYS 30 -13.295 -7.051 -5.398 228 H VAL 31 HN VAL 31 -7.925 -1.070 -1.771 229 HA VAL 31 HA VAL 31 -5.384 -2.404 -2.301 230 HB VAL 31 HB VAL 31 -6.148 0.336 -1.291 231 1HG1 VAL 31 1HG1 VAL 31 -4.092 -0.643 -0.151 232 2HG1 VAL 31 2HG1 VAL 31 -3.315 -0.628 -1.753 233 3HG1 VAL 31 3HG1 VAL 31 -3.859 0.897 -1.013 234 1HG2 VAL 31 1HG2 VAL 31 -6.057 -0.570 -3.848 235 2HG2 VAL 31 2HG2 VAL 31 -5.713 1.111 -3.374 236 3HG2 VAL 31 3HG2 VAL 31 -4.373 -0.030 -3.638 237 H TRP 32 HN TRP 32 -4.310 -3.552 -0.758 238 HA TRP 32 HA TRP 32 -4.783 -3.012 2.023 239 1HB TRP 32 2HB TRP 32 -5.845 -4.932 2.676 240 2HB TRP 32 3HB TRP 32 -6.686 -4.540 1.189 241 HD1 TRP 32 HD1 TRP 32 -4.174 -7.117 2.585 242 HE1 TRP 32 HE1 TRP 32 -4.040 -9.252 1.039 243 HE3 TRP 32 HE3 TRP 32 -7.044 -5.229 -1.164 244 HZ2 TRP 32 HZ2 TRP 32 -5.124 -9.896 -1.521 245 HZ3 TRP 32 HZ3 TRP 32 -7.457 -6.676 -3.151 246 HH2 TRP 32 HH2 TRP 32 -6.550 -8.936 -3.365 247 H GLY 33 HN GLY 33 -3.028 -3.815 3.281 248 1HA GLY 33 1HA GLY 33 -1.121 -5.631 2.078 249 2HA GLY 33 2HA GLY 33 -0.560 -3.977 2.226 250 H SER 34 HN SER 34 1.045 -5.263 3.685 251 HA SER 34 HA SER 34 0.201 -4.773 6.362 252 1HB SER 34 2HB SER 34 0.968 -7.114 7.110 253 2HB SER 34 3HB SER 34 -0.603 -7.008 6.340 254 HG SER 34 HG SER 34 1.567 -7.435 4.581 255 H ILE 35 HN ILE 35 1.935 -3.792 7.344 256 HA ILE 35 HA ILE 35 4.504 -3.988 6.037 257 HB ILE 35 HB ILE 35 3.084 -2.085 7.669 258 1HG1 ILE 35 2HG1 ILE 35 4.816 -0.557 6.677 259 2HG1 ILE 35 3HG1 ILE 35 5.577 -1.959 5.950 260 1HG2 ILE 35 1HG2 ILE 35 4.856 -1.289 9.083 261 2HG2 ILE 35 2HG2 ILE 35 4.547 -3.001 9.462 262 3HG2 ILE 35 3HG2 ILE 35 5.964 -2.547 8.485 263 1HD1 ILE 35 1HD1 ILE 35 3.624 -2.454 4.615 264 2HD1 ILE 35 2HD1 ILE 35 2.635 -1.286 5.524 265 3HD1 ILE 35 3HD1 ILE 35 3.931 -0.709 4.449 266 H LYS 36 HN LYS 36 6.510 -4.363 7.356 267 HA LYS 36 HA LYS 36 6.083 -5.946 9.743 268 1HB LYS 36 2HB LYS 36 7.149 -7.083 7.159 269 2HB LYS 36 3HB LYS 36 7.627 -7.748 8.708 270 1HG LYS 36 2HG LYS 36 4.825 -7.474 8.921 271 2HG LYS 36 3HG LYS 36 5.073 -8.020 7.274 272 1HD LYS 36 2HD LYS 36 6.452 -9.926 8.097 273 2HD LYS 36 3HD LYS 36 6.256 -9.371 9.747 274 1HE LYS 36 2HE LYS 36 3.723 -9.592 9.423 275 2HE LYS 36 3HE LYS 36 4.050 -10.356 7.880 276 1HZ LYS 36 1HZ LYS 36 4.032 -12.155 9.203 277 2HZ LYS 36 2HZ LYS 36 5.610 -11.786 9.403 278 3HZ LYS 36 3HZ LYS 36 4.522 -11.362 10.544 279 H GLY 37 HN GLY 37 7.166 -4.354 10.925 280 1HA GLY 37 1HA GLY 37 9.773 -4.479 11.424 281 2HA GLY 37 2HA GLY 37 9.778 -3.458 10.000 282 H LEU 38 HN LEU 38 7.184 -2.152 10.495 283 HA LEU 38 HA LEU 38 8.033 0.021 11.957 284 1HB LEU 38 2HB LEU 38 5.342 -0.992 11.098 285 2HB LEU 38 3HB LEU 38 5.474 0.446 12.091 286 HG LEU 38 HG LEU 38 5.357 0.594 9.466 287 1HD1 LEU 38 1HD1 LEU 38 6.704 2.251 11.502 288 2HD1 LEU 38 2HD1 LEU 38 7.146 2.611 9.815 289 3HD1 LEU 38 3HD1 LEU 38 5.440 2.670 10.320 290 1HD2 LEU 38 1HD2 LEU 38 8.261 -0.045 9.980 291 2HD2 LEU 38 2HD2 LEU 38 7.147 -0.768 8.795 292 3HD2 LEU 38 3HD2 LEU 38 7.730 0.898 8.567 293 H THR 39 HN THR 39 6.068 0.668 13.848 294 HA THR 39 HA THR 39 6.101 -1.481 15.813 295 HB THR 39 HB THR 39 7.057 0.305 17.471 296 HG1 THR 39 1HG THR 39 7.900 1.242 14.819 297 1HG2 THR 39 1HG2 THR 39 8.498 -1.579 16.758 298 2HG2 THR 39 2HG2 THR 39 8.807 -0.777 15.200 299 3HG2 THR 39 3HG2 THR 39 9.437 -0.068 16.706 300 H GLU 40 HN GLU 40 4.270 -1.558 16.990 301 HA GLU 40 HA GLU 40 2.044 -0.347 16.291 302 1HB GLU 40 2HB GLU 40 1.119 -0.930 18.440 303 2HB GLU 40 3HB GLU 40 2.339 -2.130 18.064 304 1HG GLU 40 2HG GLU 40 3.940 -0.423 19.386 305 2HG GLU 40 3HG GLU 40 2.427 0.094 20.103 306 H GLY 41 HN GLY 41 1.585 1.777 15.910 307 1HA GLY 41 1HA GLY 41 1.173 3.727 17.664 308 2HA GLY 41 2HA GLY 41 2.914 3.835 17.488 309 H LEU 42 HN LEU 42 1.153 5.944 16.716 310 HA LEU 42 HA LEU 42 0.365 5.930 14.077 311 1HB LEU 42 2HB LEU 42 0.971 7.936 16.146 312 2HB LEU 42 3HB LEU 42 1.105 8.519 14.499 313 HG LEU 42 HG LEU 42 -1.337 7.017 14.764 314 1HD1 LEU 42 1HD1 LEU 42 -0.641 8.719 17.072 315 2HD1 LEU 42 2HD1 LEU 42 -2.238 9.032 16.351 316 3HD1 LEU 42 3HD1 LEU 42 -1.825 7.398 16.923 317 1HD2 LEU 42 1HD2 LEU 42 -0.410 9.182 13.361 318 2HD2 LEU 42 2HD2 LEU 42 -2.106 8.649 13.441 319 3HD2 LEU 42 3HD2 LEU 42 -1.527 9.938 14.523 320 H HIS 43 HN HIS 43 1.398 7.215 12.237 321 HA HIS 43 HA HIS 43 4.280 7.240 12.327 322 1HB HIS 43 2HB HIS 43 2.763 5.457 10.401 323 2HB HIS 43 3HB HIS 43 4.466 5.850 10.267 324 HD1 HIS 43 HD1 HIS 43 5.828 5.247 12.717 325 HD2 HIS 43 HD2 HIS 43 2.381 3.090 11.686 326 HE1 HIS 43 HE1 HIS 43 5.912 3.080 14.062 327 H GLY 44 HN GLY 44 5.206 8.405 10.449 328 1HA GLY 44 1HA GLY 44 3.775 10.714 9.819 329 2HA GLY 44 2HA GLY 44 5.229 10.142 9.026 330 H PHE 45 HN PHE 45 4.456 10.850 6.940 331 HA PHE 45 HA PHE 45 2.158 9.323 5.951 332 1HB PHE 45 2HB PHE 45 3.585 11.694 4.640 333 2HB PHE 45 3HB PHE 45 1.934 11.169 4.370 334 HD1 PHE 45 1HD PHE 45 0.156 11.938 5.757 335 HD2 PHE 45 2HD PHE 45 4.174 12.863 6.761 336 HE1 PHE 45 1HE PHE 45 -0.651 13.607 7.450 337 HE2 PHE 45 2HE PHE 45 3.367 14.532 8.454 338 HZ PHE 45 HZ PHE 45 0.964 14.883 8.778 339 H HIS 46 HN HIS 46 2.297 8.596 3.628 340 HA HIS 46 HA HIS 46 5.029 7.691 3.106 341 1HB HIS 46 2HB HIS 46 3.440 6.139 1.519 342 2HB HIS 46 3HB HIS 46 4.025 5.697 3.110 343 HD1 HIS 46 HD1 HIS 46 0.924 6.524 1.230 344 HD2 HIS 46 HD2 HIS 46 2.077 5.994 5.228 345 HE1 HIS 46 HE1 HIS 46 -1.233 6.264 2.567 346 H VAL 47 HN VAL 47 5.221 7.170 0.540 347 HA VAL 47 HA VAL 47 5.107 7.909 -1.572 348 HB VAL 47 HB VAL 47 3.429 10.265 -0.754 349 1HG1 VAL 47 1HG1 VAL 47 2.866 8.746 -3.227 350 2HG1 VAL 47 2HG1 VAL 47 2.990 10.501 -2.956 351 3HG1 VAL 47 3HG1 VAL 47 4.465 9.527 -3.170 352 1HG2 VAL 47 1HG2 VAL 47 1.646 8.291 -1.604 353 2HG2 VAL 47 2HG2 VAL 47 2.729 7.451 -0.468 354 3HG2 VAL 47 3HG2 VAL 47 1.847 8.906 0.054 355 H HIS 48 HN HIS 48 6.886 8.846 -2.451 356 HA HIS 48 HA HIS 48 7.660 11.470 -1.713 357 1HB HIS 48 2HB HIS 48 9.773 11.000 -0.672 358 2HB HIS 48 3HB HIS 48 8.495 10.239 0.254 359 HD1 HIS 48 HD1 HIS 48 11.703 9.445 -0.157 360 HD2 HIS 48 HD2 HIS 48 8.288 7.405 -1.488 361 HE1 HIS 48 HE1 HIS 48 12.408 7.016 -0.497 362 H GLU 49 HN GLU 49 8.862 12.386 -3.366 363 HA GLU 49 HA GLU 49 9.821 12.586 -5.302 364 1HB GLU 49 2HB GLU 49 11.505 10.984 -4.151 365 2HB GLU 49 3HB GLU 49 10.809 9.715 -5.140 366 1HG GLU 49 2HG GLU 49 11.735 10.530 -7.094 367 2HG GLU 49 3HG GLU 49 11.534 12.205 -6.620 368 H GLU 50 HN GLU 50 7.886 12.802 -6.513 369 HA GLU 50 HA GLU 50 6.155 10.889 -7.212 370 1HB GLU 50 2HB GLU 50 7.146 13.193 -8.949 371 2HB GLU 50 3HB GLU 50 5.675 12.289 -9.254 372 1HG GLU 50 2HG GLU 50 6.033 13.435 -6.493 373 2HG GLU 50 3HG GLU 50 5.700 14.566 -7.790 374 H GLU 51 HN GLU 51 6.338 8.936 -8.214 375 HA GLU 51 HA GLU 51 6.950 7.389 -9.614 376 1HB GLU 51 2HB GLU 51 7.275 9.754 -11.160 377 2HB GLU 51 3HB GLU 51 8.707 8.793 -11.466 378 1HG GLU 51 2HG GLU 51 7.000 8.145 -13.080 379 2HG GLU 51 3HG GLU 51 7.238 6.808 -11.971 380 H ASP 52 HN ASP 52 9.875 9.502 -10.002 381 HA ASP 52 HA ASP 52 11.918 9.297 -9.270 382 1HB ASP 52 2HB ASP 52 10.593 8.244 -7.148 383 2HB ASP 52 3HB ASP 52 11.430 6.795 -7.668 384 H ASN 53 HN ASN 53 13.848 7.973 -9.843 385 HA ASN 53 HA ASN 53 13.094 5.698 -11.500 386 1HB ASN 53 2HB ASN 53 15.142 6.181 -12.821 387 2HB ASN 53 3HB ASN 53 14.125 7.607 -12.747 388 1HD2 ASN 53 1HD2 ASN 53 14.706 9.367 -11.498 389 2HD2 ASN 53 2HD2 ASN 53 16.308 9.611 -10.885 390 H THR 54 HN THR 54 14.581 6.718 -8.596 391 HA THR 54 HA THR 54 15.724 4.112 -8.159 392 HB THR 54 HB THR 54 17.544 5.380 -9.379 393 HG1 THR 54 1HG THR 54 18.035 3.796 -7.701 394 1HG2 THR 54 1HG2 THR 54 18.672 7.226 -8.230 395 2HG2 THR 54 2HG2 THR 54 16.960 7.678 -8.419 396 3HG2 THR 54 3HG2 THR 54 17.560 7.100 -6.846 397 H ALA 55 HN ALA 55 15.455 7.521 -6.974 398 HA ALA 55 HA ALA 55 14.688 8.302 -5.044 399 1HB ALA 55 1HB ALA 55 13.106 7.100 -3.830 400 2HB ALA 55 2HB ALA 55 13.048 6.264 -5.400 401 3HB ALA 55 3HB ALA 55 13.960 5.553 -4.047 402 H GLY 56 HN GLY 56 16.146 5.026 -4.415 403 1HA GLY 56 1HA GLY 56 18.346 4.820 -3.560 404 2HA GLY 56 2HA GLY 56 18.184 6.375 -2.768 405 H CYS 57 HN CYS 57 15.527 6.033 -1.651 406 HA CYS 57 HA CYS 57 14.554 5.288 0.168 407 1HB CYS 57 2HB CYS 57 15.642 2.790 -1.010 408 2HB CYS 57 3HB CYS 57 15.129 2.702 0.663 409 H THR 58 HN THR 58 16.670 6.836 0.750 410 HA THR 58 HA THR 58 18.176 5.345 2.798 411 HB THR 58 HB THR 58 19.987 6.963 2.380 412 HG1 THR 58 1HG THR 58 19.392 8.854 1.374 413 1HG2 THR 58 1HG2 THR 58 18.726 5.899 -0.198 414 2HG2 THR 58 2HG2 THR 58 20.313 6.703 -0.150 415 3HG2 THR 58 3HG2 THR 58 20.065 5.171 0.722 416 H SER 59 HN SER 59 19.086 8.234 3.585 417 HA SER 59 HA SER 59 16.621 9.074 4.838 418 1HB SER 59 2HB SER 59 18.250 7.445 6.273 419 2HB SER 59 3HB SER 59 19.032 8.974 6.621 420 HG SER 59 HG SER 59 16.192 8.515 6.953 421 H ALA 60 HN ALA 60 16.662 11.006 3.607 422 HA ALA 60 HA ALA 60 18.830 12.831 4.346 423 1HB ALA 60 1HB ALA 60 19.634 12.631 2.243 424 2HB ALA 60 2HB ALA 60 18.184 11.765 1.680 425 3HB ALA 60 3HB ALA 60 18.191 13.544 1.740 426 H GLY 61 HN GLY 61 15.858 12.849 2.250 427 1HA GLY 61 1HA GLY 61 13.895 13.834 3.582 428 2HA GLY 61 2HA GLY 61 14.954 15.220 3.745 429 HA PRO 62 HA PRO 62 13.648 14.744 -0.813 430 1HB PRO 62 2HB PRO 62 11.386 13.297 -1.320 431 2HB PRO 62 3HB PRO 62 13.002 12.644 -1.501 432 1HG PRO 62 2HG PRO 62 11.027 12.137 0.640 433 2HG PRO 62 3HG PRO 62 12.443 11.200 0.209 434 1HD PRO 62 2HD PRO 62 12.180 12.986 2.438 435 2HD PRO 62 3HD PRO 62 13.631 12.138 1.940 436 H HIS 63 HN HIS 63 12.707 16.454 -1.809 437 HA HIS 63 HA HIS 63 10.382 17.467 -0.340 438 1HB HIS 63 2HB HIS 63 12.873 18.810 -1.258 439 2HB HIS 63 3HB HIS 63 11.383 19.709 -1.455 440 HD1 HIS 63 HD1 HIS 63 9.844 19.134 1.086 441 HD2 HIS 63 HD2 HIS 63 13.993 19.750 1.041 442 HE1 HIS 63 HE1 HIS 63 10.484 19.867 3.445 443 H PHE 64 HN PHE 64 9.308 15.916 -1.955 444 HA PHE 64 HA PHE 64 9.067 17.258 -4.554 445 1HB PHE 64 2HB PHE 64 9.135 14.423 -3.531 446 2HB PHE 64 3HB PHE 64 7.951 14.717 -4.789 447 HD1 PHE 64 1HD PHE 64 11.564 14.959 -4.009 448 HD2 PHE 64 2HD PHE 64 8.603 14.882 -7.048 449 HE1 PHE 64 1HE PHE 64 13.357 14.731 -5.751 450 HE2 PHE 64 2HE PHE 64 10.395 14.654 -8.789 451 HZ PHE 64 HZ PHE 64 12.751 14.581 -8.120 452 H ASN 65 HN ASN 65 7.644 18.403 -2.455 453 HA ASN 65 HA ASN 65 4.987 17.865 -3.362 454 1HB ASN 65 2HB ASN 65 4.193 17.815 -0.866 455 2HB ASN 65 3HB ASN 65 4.864 16.340 -1.533 456 1HD2 ASN 65 1HD2 ASN 65 5.244 18.932 0.701 457 2HD2 ASN 65 2HD2 ASN 65 6.671 18.382 1.513 458 HA PRO 66 HA PRO 66 6.020 22.194 -2.347 459 1HB PRO 66 2HB PRO 66 5.296 23.308 -4.735 460 2HB PRO 66 3HB PRO 66 6.934 22.805 -4.370 461 1HG PRO 66 2HG PRO 66 4.933 21.488 -6.102 462 2HG PRO 66 3HG PRO 66 6.669 21.252 -6.055 463 1HD PRO 66 2HD PRO 66 4.671 19.512 -4.956 464 2HD PRO 66 3HD PRO 66 6.409 19.338 -4.809 465 H LEU 67 HN LEU 67 3.218 21.199 -4.248 466 HA LEU 67 HA LEU 67 1.543 23.228 -3.450 467 1HB LEU 67 2HB LEU 67 1.371 20.710 -4.797 468 2HB LEU 67 3HB LEU 67 0.040 20.829 -3.663 469 HG LEU 67 HG LEU 67 0.304 23.319 -5.097 470 1HD1 LEU 67 1HD1 LEU 67 0.237 22.770 -7.315 471 2HD1 LEU 67 2HD1 LEU 67 1.338 21.505 -6.718 472 3HD1 LEU 67 3HD1 LEU 67 -0.376 21.126 -7.011 473 1HD2 LEU 67 1HD2 LEU 67 -1.966 23.191 -5.214 474 2HD2 LEU 67 2HD2 LEU 67 -1.968 21.444 -5.557 475 3HD2 LEU 67 3HD2 LEU 67 -1.685 22.025 -3.899 476 H SER 68 HN SER 68 2.420 20.161 -1.791 477 HA SER 68 HA SER 68 0.520 20.350 0.204 478 1HB SER 68 2HB SER 68 1.894 18.325 -0.300 479 2HB SER 68 3HB SER 68 3.316 19.133 0.330 480 HG SER 68 HG SER 68 2.699 18.185 2.165 481 H ARG 69 HN ARG 69 3.578 22.038 -0.343 482 HA ARG 69 HA ARG 69 4.496 23.726 0.653 483 1HB ARG 69 2HB ARG 69 2.023 23.730 2.456 484 2HB ARG 69 3HB ARG 69 3.248 24.983 2.486 485 1HG ARG 69 2HG ARG 69 2.728 24.945 -0.194 486 2HG ARG 69 3HG ARG 69 1.171 24.403 0.401 487 1HD ARG 69 2HD ARG 69 1.374 26.926 0.156 488 2HD ARG 69 3HD ARG 69 0.884 26.397 1.753 489 HE ARG 69 HE ARG 69 3.790 26.685 1.455 490 1HH1 ARG 69 2HH2 ARG 69 0.787 28.328 2.272 491 2HH1 ARG 69 1HH2 ARG 69 1.568 29.567 3.197 492 1HH2 ARG 69 2HH1 ARG 69 4.820 28.319 2.676 493 2HH2 ARG 69 1HH1 ARG 69 3.877 29.562 3.428 494 H LYS 70 HN LYS 70 2.793 21.907 3.321 495 HA LYS 70 HA LYS 70 5.014 20.588 4.263 496 1HB LYS 70 2HB LYS 70 4.883 23.409 5.144 497 2HB LYS 70 3HB LYS 70 5.100 22.244 6.433 498 1HG LYS 70 2HG LYS 70 7.250 21.832 5.821 499 2HG LYS 70 3HG LYS 70 6.794 21.550 4.153 500 1HD LYS 70 2HD LYS 70 6.522 24.235 4.155 501 2HD LYS 70 3HD LYS 70 7.664 24.113 5.478 502 1HE LYS 70 2HE LYS 70 9.076 22.596 3.897 503 2HE LYS 70 3HE LYS 70 8.033 23.164 2.608 504 1HZ LYS 70 1HZ LYS 70 9.259 25.120 4.375 505 2HZ LYS 70 2HZ LYS 70 10.170 24.438 3.204 506 3HZ LYS 70 3HZ LYS 70 8.824 25.273 2.809 507 H HIS 71 HN HIS 71 3.216 22.416 6.687 508 HA HIS 71 HA HIS 71 2.176 20.216 7.902 509 1HB HIS 71 2HB HIS 71 2.212 22.241 9.089 510 2HB HIS 71 3HB HIS 71 1.341 23.108 7.841 511 HD1 HIS 71 HD1 HIS 71 0.775 22.015 11.108 512 HD2 HIS 71 HD2 HIS 71 -1.433 21.613 7.565 513 HE1 HIS 71 HE1 HIS 71 -1.632 21.549 11.815 514 H GLY 72 HN GLY 72 0.672 18.720 7.359 515 1HA GLY 72 1HA GLY 72 -1.784 19.398 6.111 516 2HA GLY 72 2HA GLY 72 -0.678 18.715 4.936 517 H GLY 73 HN GLY 73 -3.229 17.615 6.130 518 1HA GLY 73 1HA GLY 73 -2.980 15.018 6.093 519 2HA GLY 73 2HA GLY 73 -2.238 15.313 7.652 520 HA PRO 74 HA PRO 74 -6.249 15.377 9.315 521 1HB PRO 74 2HB PRO 74 -5.724 16.376 11.804 522 2HB PRO 74 3HB PRO 74 -5.479 14.695 11.375 523 1HG PRO 74 2HG PRO 74 -3.464 16.826 11.749 524 2HG PRO 74 3HG PRO 74 -3.236 15.088 11.743 525 1HD PRO 74 2HD PRO 74 -2.593 16.910 9.623 526 2HD PRO 74 3HD PRO 74 -2.474 15.162 9.576 527 H LYS 75 HN LYS 75 -4.540 18.319 10.296 528 HA LYS 75 HA LYS 75 -6.886 19.848 10.330 529 1HB LYS 75 2HB LYS 75 -3.969 20.312 10.551 530 2HB LYS 75 3HB LYS 75 -4.901 21.683 9.983 531 1HG LYS 75 2HG LYS 75 -5.849 22.025 12.029 532 2HG LYS 75 3HG LYS 75 -6.246 20.329 12.222 533 1HD LYS 75 2HD LYS 75 -4.572 20.154 13.739 534 2HD LYS 75 3HD LYS 75 -3.419 20.444 12.451 535 1HE LYS 75 2HE LYS 75 -3.683 22.927 12.807 536 2HE LYS 75 3HE LYS 75 -4.778 22.602 14.136 537 1HZ LYS 75 1HZ LYS 75 -3.084 22.120 15.450 538 2HZ LYS 75 2HZ LYS 75 -2.344 21.160 14.356 539 3HZ LYS 75 3HZ LYS 75 -2.102 22.775 14.321 540 H ASP 76 HN ASP 76 -4.745 18.769 7.747 541 HA ASP 76 HA ASP 76 -4.693 19.140 5.607 542 1HB ASP 76 2HB ASP 76 -7.430 20.056 5.149 543 2HB ASP 76 3HB ASP 76 -6.674 18.555 4.652 544 H GLU 77 HN GLU 77 -3.377 21.086 5.594 545 HA GLU 77 HA GLU 77 -4.936 23.542 5.362 546 1HB GLU 77 2HB GLU 77 -3.464 23.554 7.338 547 2HB GLU 77 3HB GLU 77 -2.077 23.148 6.347 548 1HG GLU 77 2HG GLU 77 -3.427 25.487 5.242 549 2HG GLU 77 3HG GLU 77 -3.082 25.750 6.940 550 H GLU 78 HN GLU 78 -2.844 21.256 3.812 551 HA GLU 78 HA GLU 78 -2.908 22.856 1.446 552 1HB GLU 78 2HB GLU 78 -0.317 22.222 2.884 553 2HB GLU 78 3HB GLU 78 -0.336 22.390 1.140 554 1HG GLU 78 2HG GLU 78 -1.211 24.487 3.179 555 2HG GLU 78 3HG GLU 78 0.207 24.558 2.150 556 H ARG 79 HN ARG 79 -0.490 20.304 2.122 557 HA ARG 79 HA ARG 79 -0.149 18.435 1.033 558 1HB ARG 79 2HB ARG 79 -1.690 16.650 1.672 559 2HB ARG 79 3HB ARG 79 -1.617 17.796 2.996 560 1HG ARG 79 2HG ARG 79 -3.783 18.579 2.636 561 2HG ARG 79 3HG ARG 79 -3.724 18.285 0.909 562 1HD ARG 79 2HD ARG 79 -4.766 16.287 1.185 563 2HD ARG 79 3HD ARG 79 -3.478 15.732 2.236 564 HE ARG 79 HE ARG 79 -5.154 17.506 3.731 565 1HH1 ARG 79 2HH2 ARG 79 -5.243 14.304 2.275 566 2HH1 ARG 79 1HH2 ARG 79 -6.404 13.684 3.400 567 1HH2 ARG 79 2HH1 ARG 79 -6.687 16.689 5.216 568 2HH2 ARG 79 1HH1 ARG 79 -7.232 15.050 5.084 569 H HIS 80 HN HIS 80 -2.128 16.585 -0.188 570 HA HIS 80 HA HIS 80 -3.439 16.328 -1.979 571 1HB HIS 80 2HB HIS 80 -4.041 18.892 -1.497 572 2HB HIS 80 3HB HIS 80 -3.142 19.124 -2.983 573 HD1 HIS 80 HD1 HIS 80 -5.324 19.833 -4.242 574 HD2 HIS 80 HD2 HIS 80 -5.383 15.921 -2.729 575 HE1 HIS 80 HE1 HIS 80 -7.316 18.673 -5.337 576 H VAL 81 HN VAL 81 -0.255 17.446 -1.713 577 HA VAL 81 HA VAL 81 0.350 16.314 -4.332 578 HB VAL 81 HB VAL 81 1.011 19.068 -3.353 579 1HG1 VAL 81 1HG1 VAL 81 2.865 17.218 -4.693 580 2HG1 VAL 81 2HG1 VAL 81 2.648 18.766 -5.546 581 3HG1 VAL 81 3HG1 VAL 81 3.182 18.752 -3.848 582 1HG2 VAL 81 1HG2 VAL 81 0.736 19.268 -6.022 583 2HG2 VAL 81 2HG2 VAL 81 -0.244 17.808 -5.742 584 3HG2 VAL 81 3HG2 VAL 81 -0.643 19.323 -4.897 585 H GLY 82 HN GLY 82 1.094 14.423 -3.293 586 1HA GLY 82 1HA GLY 82 3.121 13.360 -2.738 587 2HA GLY 82 2HA GLY 82 3.647 14.794 -1.879 588 H ASP 83 HN ASP 83 2.407 15.418 0.146 589 HA ASP 83 HA ASP 83 2.396 13.409 1.931 590 1HB ASP 83 2HB ASP 83 0.795 15.998 1.844 591 2HB ASP 83 3HB ASP 83 0.752 14.949 3.247 592 H LEU 84 HN LEU 84 0.450 12.458 3.182 593 HA LEU 84 HA LEU 84 -1.990 12.314 1.606 594 1HB LEU 84 2HB LEU 84 -0.545 10.495 0.794 595 2HB LEU 84 3HB LEU 84 -0.414 9.870 2.426 596 HG LEU 84 HG LEU 84 -2.054 8.719 0.853 597 1HD1 LEU 84 1HD1 LEU 84 -3.170 9.719 3.487 598 2HD1 LEU 84 2HD1 LEU 84 -3.624 8.231 2.621 599 3HD1 LEU 84 3HD1 LEU 84 -1.990 8.398 3.308 600 1HD2 LEU 84 1HD2 LEU 84 -2.965 11.120 0.194 601 2HD2 LEU 84 2HD2 LEU 84 -4.012 9.680 0.185 602 3HD2 LEU 84 3HD2 LEU 84 -4.064 10.810 1.560 603 H GLY 85 HN GLY 85 -0.768 10.251 4.298 604 1HA GLY 85 1HA GLY 85 -2.146 11.792 6.302 605 2HA GLY 85 2HA GLY 85 -2.986 10.317 5.864 606 H ASN 86 HN ASN 86 -2.149 10.463 8.448 607 HA ASN 86 HA ASN 86 0.457 9.252 8.593 608 1HB ASN 86 2HB ASN 86 -1.570 9.998 10.768 609 2HB ASN 86 3HB ASN 86 0.035 9.375 11.092 610 1HD2 ASN 86 1HD2 ASN 86 -0.470 11.662 12.219 611 2HD2 ASN 86 2HD2 ASN 86 0.285 13.010 11.435 612 H VAL 87 HN VAL 87 0.740 7.014 8.902 613 HA VAL 87 HA VAL 87 -1.709 5.432 9.094 614 HB VAL 87 HB VAL 87 -0.395 3.626 8.219 615 1HG1 VAL 87 1HG1 VAL 87 0.515 5.948 6.539 616 2HG1 VAL 87 2HG1 VAL 87 -0.168 4.382 6.040 617 3HG1 VAL 87 3HG1 VAL 87 -1.224 5.630 6.745 618 1HG2 VAL 87 1HG2 VAL 87 2.007 5.479 8.370 619 2HG2 VAL 87 2HG2 VAL 87 1.704 4.078 9.424 620 3HG2 VAL 87 3HG2 VAL 87 1.985 3.837 7.683 621 H THR 88 HN THR 88 -1.380 3.281 10.389 622 HA THR 88 HA THR 88 0.296 3.732 12.743 623 HB THR 88 HB THR 88 -2.630 2.929 13.010 624 HG1 THR 88 1HG THR 88 -1.343 5.566 13.117 625 1HG2 THR 88 1HG2 THR 88 -1.054 2.714 14.995 626 2HG2 THR 88 2HG2 THR 88 -0.719 4.457 14.853 627 3HG2 THR 88 3HG2 THR 88 -2.359 3.896 15.258 628 H ALA 89 HN ALA 89 0.915 1.838 13.853 629 HA ALA 89 HA ALA 89 0.858 -0.477 12.130 630 1HB ALA 89 1HB ALA 89 2.389 0.474 14.524 631 2HB ALA 89 2HB ALA 89 2.287 -1.281 14.250 632 3HB ALA 89 3HB ALA 89 2.978 -0.223 12.996 633 H ASP 90 HN ASP 90 0.564 -2.695 13.345 634 HA ASP 90 HA ASP 90 -2.086 -2.661 14.283 635 1HB ASP 90 2HB ASP 90 -1.381 -4.577 13.028 636 2HB ASP 90 3HB ASP 90 0.065 -4.785 13.995 637 H LYS 91 HN LYS 91 0.243 -4.808 15.900 638 HA LYS 91 HA LYS 91 0.119 -3.197 18.334 639 1HB LYS 91 2HB LYS 91 -0.839 -4.822 19.645 640 2HB LYS 91 3HB LYS 91 -1.722 -5.046 18.148 641 1HG LYS 91 2HG LYS 91 -0.224 -6.903 17.494 642 2HG LYS 91 3HG LYS 91 0.773 -6.637 18.910 643 1HD LYS 91 2HD LYS 91 -1.057 -7.268 20.407 644 2HD LYS 91 3HD LYS 91 -2.197 -7.318 19.077 645 1HE LYS 91 2HE LYS 91 -0.726 -9.153 18.030 646 2HE LYS 91 3HE LYS 91 0.166 -9.192 19.537 647 1HZ LYS 91 1HZ LYS 91 -2.540 -9.293 20.133 648 2HZ LYS 91 2HZ LYS 91 -2.257 -10.400 18.965 649 3HZ LYS 91 3HZ LYS 91 -1.414 -10.454 20.363 650 H ASP 92 HN ASP 92 2.000 -4.363 15.996 651 HA ASP 92 HA ASP 92 4.206 -4.609 17.795 652 1HB ASP 92 2HB ASP 92 2.982 -6.942 16.547 653 2HB ASP 92 3HB ASP 92 4.603 -6.728 15.915 654 H GLY 93 HN GLY 93 3.042 -2.866 15.565 655 1HA GLY 93 1HA GLY 93 4.320 -1.492 14.163 656 2HA GLY 93 2HA GLY 93 5.448 -2.803 13.883 657 H VAL 94 HN VAL 94 3.663 -4.944 13.271 658 HA VAL 94 HA VAL 94 3.365 -4.804 10.620 659 HB VAL 94 HB VAL 94 1.404 -6.132 12.500 660 1HG1 VAL 94 1HG1 VAL 94 1.831 -7.852 10.407 661 2HG1 VAL 94 2HG1 VAL 94 0.458 -6.726 10.543 662 3HG1 VAL 94 3HG1 VAL 94 1.894 -6.269 9.595 663 1HG2 VAL 94 1HG2 VAL 94 3.283 -8.032 11.763 664 2HG2 VAL 94 2HG2 VAL 94 4.265 -6.578 12.063 665 3HG2 VAL 94 3HG2 VAL 94 3.188 -7.203 13.335 666 H ALA 95 HN ALA 95 2.608 -3.047 9.512 667 HA ALA 95 HA ALA 95 0.087 -1.877 10.417 668 1HB ALA 95 1HB ALA 95 2.517 -0.797 9.527 669 2HB ALA 95 2HB ALA 95 1.409 -0.593 8.149 670 3HB ALA 95 3HB ALA 95 0.981 0.077 9.741 671 H ASP 96 HN ASP 96 -1.727 -2.737 9.542 672 HA ASP 96 HA ASP 96 -1.475 -4.000 6.959 673 1HB ASP 96 2HB ASP 96 -3.533 -5.098 7.462 674 2HB ASP 96 3HB ASP 96 -2.656 -5.068 8.979 675 H VAL 97 HN VAL 97 -2.934 -3.388 5.173 676 HA VAL 97 HA VAL 97 -4.175 -0.750 5.554 677 HB VAL 97 HB VAL 97 -2.878 -1.822 3.044 678 1HG1 VAL 97 1HG1 VAL 97 -3.310 0.224 2.045 679 2HG1 VAL 97 2HG1 VAL 97 -4.773 -0.011 3.031 680 3HG1 VAL 97 3HG1 VAL 97 -3.481 1.071 3.602 681 1HG2 VAL 97 1HG2 VAL 97 -1.065 -1.526 4.515 682 2HG2 VAL 97 2HG2 VAL 97 -1.138 -0.008 3.588 683 3HG2 VAL 97 3HG2 VAL 97 -1.779 -0.069 5.247 684 H SER 98 HN SER 98 -6.164 -0.374 4.396 685 HA SER 98 HA SER 98 -7.286 -2.404 2.822 686 1HB SER 98 2HB SER 98 -9.213 -2.939 4.381 687 2HB SER 98 3HB SER 98 -7.671 -3.616 4.865 688 HG SER 98 HG SER 98 -8.731 -1.121 5.888 689 H ILE 99 HN ILE 99 -7.812 -0.740 1.365 690 HA ILE 99 HA ILE 99 -9.942 1.030 2.277 691 HB ILE 99 HB ILE 99 -8.454 2.629 0.579 692 1HG1 ILE 99 2HG1 ILE 99 -6.609 1.104 2.429 693 2HG1 ILE 99 3HG1 ILE 99 -6.487 1.279 0.689 694 1HG2 ILE 99 1HG2 ILE 99 -9.442 2.623 3.278 695 2HG2 ILE 99 2HG2 ILE 99 -7.831 3.377 3.228 696 3HG2 ILE 99 3HG2 ILE 99 -9.135 3.995 2.186 697 1HD1 ILE 99 1HD1 ILE 99 -5.029 2.967 1.215 698 2HD1 ILE 99 2HD1 ILE 99 -6.515 3.921 1.438 699 3HD1 ILE 99 3HD1 ILE 99 -5.713 3.182 2.844 700 H GLU 100 HN GLU 100 -11.650 0.752 0.955 701 HA GLU 100 HA GLU 100 -11.029 -0.143 -1.751 702 1HB GLU 100 2HB GLU 100 -12.249 -1.850 -0.520 703 2HB GLU 100 3HB GLU 100 -13.447 -0.690 0.020 704 1HG GLU 100 2HG GLU 100 -13.861 -0.277 -2.555 705 2HG GLU 100 3HG GLU 100 -13.030 -1.804 -2.773 706 H ASP 101 HN ASP 101 -10.761 2.082 -2.487 707 HA ASP 101 HA ASP 101 -13.069 3.772 -2.216 708 1HB ASP 101 2HB ASP 101 -10.354 4.264 -2.350 709 2HB ASP 101 3HB ASP 101 -10.823 4.580 -4.008 710 H SER 102 HN SER 102 -14.144 4.698 -4.180 711 HA SER 102 HA SER 102 -13.644 3.126 -6.578 712 1HB SER 102 2HB SER 102 -15.961 2.712 -6.936 713 2HB SER 102 3HB SER 102 -15.692 2.337 -5.246 714 HG SER 102 HG SER 102 -16.327 4.786 -4.995 715 H VAL 103 HN VAL 103 -12.353 5.304 -6.791 716 HA VAL 103 HA VAL 103 -14.005 7.062 -8.380 717 HB VAL 103 HB VAL 103 -12.524 7.997 -5.916 718 1HG1 VAL 103 1HG1 VAL 103 -14.015 9.810 -7.812 719 2HG1 VAL 103 2HG1 VAL 103 -12.810 10.224 -6.569 720 3HG1 VAL 103 3HG1 VAL 103 -12.298 9.420 -8.072 721 1HG2 VAL 103 1HG2 VAL 103 -14.858 9.019 -5.476 722 2HG2 VAL 103 2HG2 VAL 103 -15.438 7.857 -6.693 723 3HG2 VAL 103 3HG2 VAL 103 -14.639 7.273 -5.213 724 H ILE 104 HN ILE 104 -10.780 6.358 -6.901 725 HA ILE 104 HA ILE 104 -9.349 7.687 -8.943 726 HB ILE 104 HB ILE 104 -7.414 6.804 -7.916 727 1HG1 ILE 104 2HG1 ILE 104 -8.279 4.428 -7.833 728 2HG1 ILE 104 3HG1 ILE 104 -7.300 4.942 -6.474 729 1HG2 ILE 104 1HG2 ILE 104 -8.260 8.519 -6.581 730 2HG2 ILE 104 2HG2 ILE 104 -9.616 7.527 -5.991 731 3HG2 ILE 104 3HG2 ILE 104 -7.960 7.195 -5.430 732 1HD1 ILE 104 1HD1 ILE 104 -10.295 4.515 -6.592 733 2HD1 ILE 104 2HD1 ILE 104 -9.118 3.878 -5.419 734 3HD1 ILE 104 3HD1 ILE 104 -9.596 5.592 -5.360 735 H SER 105 HN SER 105 -7.527 6.205 -10.121 736 HA SER 105 HA SER 105 -8.448 3.689 -10.956 737 1HB SER 105 2HB SER 105 -9.139 6.086 -12.613 738 2HB SER 105 3HB SER 105 -8.510 4.702 -13.485 739 HG SER 105 HG SER 105 -10.386 3.712 -13.234 740 H LEU 106 HN LEU 106 -6.549 2.597 -11.303 741 HA LEU 106 HA LEU 106 -4.085 3.780 -11.296 742 1HB LEU 106 2HB LEU 106 -4.780 1.178 -12.657 743 2HB LEU 106 3HB LEU 106 -3.223 1.654 -12.008 744 HG LEU 106 HG LEU 106 -4.741 1.870 -9.769 745 1HD1 LEU 106 1HD1 LEU 106 -6.293 0.252 -11.645 746 2HD1 LEU 106 2HD1 LEU 106 -5.944 -0.591 -10.116 747 3HD1 LEU 106 3HD1 LEU 106 -6.764 0.989 -10.095 748 1HD2 LEU 106 1HD2 LEU 106 -2.598 0.447 -10.509 749 2HD2 LEU 106 2HD2 LEU 106 -3.463 0.173 -8.977 750 3HD2 LEU 106 3HD2 LEU 106 -3.780 -0.877 -10.379 751 H SER 107 HN SER 107 -6.291 3.134 -14.041 752 HA SER 107 HA SER 107 -4.411 4.653 -15.672 753 1HB SER 107 2HB SER 107 -5.890 2.100 -16.272 754 2HB SER 107 3HB SER 107 -5.660 3.235 -17.587 755 HG SER 107 HG SER 107 -3.308 2.948 -16.187 756 H GLY 108 HN GLY 108 -5.339 6.268 -17.023 757 1HA GLY 108 1HA GLY 108 -7.533 6.854 -18.133 758 2HA GLY 108 2HA GLY 108 -8.207 6.769 -16.517 759 H ASP 109 HN ASP 109 -7.627 8.363 -14.909 760 HA ASP 109 HA ASP 109 -6.038 10.558 -15.947 761 1HB ASP 109 2HB ASP 109 -8.904 10.590 -15.065 762 2HB ASP 109 3HB ASP 109 -7.916 11.920 -14.495 763 H HIS 110 HN HIS 110 -7.855 9.085 -13.168 764 HA HIS 110 HA HIS 110 -6.135 10.411 -11.276 765 1HB HIS 110 2HB HIS 110 -8.685 8.920 -11.218 766 2HB HIS 110 3HB HIS 110 -7.657 8.661 -9.822 767 HD1 HIS 110 HD1 HIS 110 -8.927 11.691 -11.821 768 HD2 HIS 110 HD2 HIS 110 -8.066 10.530 -7.883 769 HE1 HIS 110 HE1 HIS 110 -9.567 13.666 -10.337 770 H SER 111 HN SER 111 -4.375 9.110 -12.741 771 HA SER 111 HA SER 111 -4.052 6.415 -12.256 772 1HB SER 111 2HB SER 111 -1.735 6.755 -13.022 773 2HB SER 111 3HB SER 111 -2.852 7.659 -14.025 774 HG SER 111 HG SER 111 -1.418 9.232 -13.594 775 H ILE 112 HN ILE 112 -3.826 5.441 -10.276 776 HA ILE 112 HA ILE 112 -2.743 6.974 -8.082 777 HB ILE 112 HB ILE 112 -3.296 4.832 -6.832 778 1HG1 ILE 112 2HG1 ILE 112 -4.943 4.124 -9.255 779 2HG1 ILE 112 3HG1 ILE 112 -3.313 3.508 -9.070 780 1HG2 ILE 112 1HG2 ILE 112 -5.083 6.012 -6.266 781 2HG2 ILE 112 2HG2 ILE 112 -4.902 6.992 -7.741 782 3HG2 ILE 112 3HG2 ILE 112 -5.906 5.522 -7.766 783 1HD1 ILE 112 1HD1 ILE 112 -5.764 2.676 -7.712 784 2HD1 ILE 112 2HD1 ILE 112 -4.181 1.864 -7.774 785 3HD1 ILE 112 3HD1 ILE 112 -4.497 3.105 -6.538 786 H ILE 113 HN ILE 113 -1.680 4.693 -10.503 787 HA ILE 113 HA ILE 113 0.374 3.437 -9.112 788 HB ILE 113 HB ILE 113 0.196 4.163 -12.039 789 1HG1 ILE 113 2HG1 ILE 113 -1.028 1.972 -10.395 790 2HG1 ILE 113 3HG1 ILE 113 -1.742 2.949 -11.663 791 1HG2 ILE 113 1HG2 ILE 113 1.855 2.596 -12.487 792 2HG2 ILE 113 2HG2 ILE 113 2.460 3.429 -11.035 793 3HG2 ILE 113 3HG2 ILE 113 1.703 1.824 -10.891 794 1HD1 ILE 113 1HD1 ILE 113 -1.370 0.712 -12.547 795 2HD1 ILE 113 2HD1 ILE 113 -0.209 1.810 -13.331 796 3HD1 ILE 113 3HD1 ILE 113 0.329 0.736 -12.018 797 H GLY 114 HN GLY 114 2.551 3.927 -8.743 798 1HA GLY 114 1HA GLY 114 4.449 5.322 -9.250 799 2HA GLY 114 2HA GLY 114 3.363 6.686 -9.428 800 H ARG 115 HN ARG 115 1.930 5.085 -6.946 801 HA ARG 115 HA ARG 115 3.197 6.810 -5.048 802 1HB ARG 115 2HB ARG 115 0.868 4.860 -4.675 803 2HB ARG 115 3HB ARG 115 1.338 6.115 -3.546 804 1HG ARG 115 2HG ARG 115 0.909 7.135 -6.295 805 2HG ARG 115 3HG ARG 115 -0.525 6.396 -5.609 806 1HD ARG 115 2HD ARG 115 -0.329 7.846 -3.590 807 2HD ARG 115 3HD ARG 115 1.138 8.560 -4.229 808 HE ARG 115 HE ARG 115 -0.636 9.006 -6.275 809 1HH1 ARG 115 2HH2 ARG 115 -0.824 9.596 -2.811 810 2HH1 ARG 115 1HH2 ARG 115 -1.883 10.958 -2.971 811 1HH2 ARG 115 2HH1 ARG 115 -2.033 10.802 -6.487 812 2HH2 ARG 115 1HH1 ARG 115 -2.575 11.648 -5.076 813 H THR 116 HN THR 116 3.632 5.855 -2.745 814 HA THR 116 HA THR 116 4.308 3.052 -2.688 815 HB THR 116 HB THR 116 6.293 3.914 -3.835 816 HG1 THR 116 1HG THR 116 6.355 2.542 -1.740 817 1HG2 THR 116 1HG2 THR 116 7.646 5.596 -2.169 818 2HG2 THR 116 2HG2 THR 116 6.623 6.196 -3.496 819 3HG2 THR 116 3HG2 THR 116 5.984 6.140 -1.835 820 H LEU 117 HN LEU 117 3.884 2.267 -0.720 821 HA LEU 117 HA LEU 117 3.077 4.086 1.312 822 1HB LEU 117 2HB LEU 117 2.410 1.560 0.644 823 2HB LEU 117 3HB LEU 117 3.538 1.230 1.943 824 HG LEU 117 HG LEU 117 1.320 1.279 2.842 825 1HD1 LEU 117 1HD1 LEU 117 1.518 3.018 4.559 826 2HD1 LEU 117 2HD1 LEU 117 3.069 2.192 4.272 827 3HD1 LEU 117 3HD1 LEU 117 2.789 3.818 3.604 828 1HD2 LEU 117 1HD2 LEU 117 -0.128 3.272 2.719 829 2HD2 LEU 117 2HD2 LEU 117 1.044 4.039 1.619 830 3HD2 LEU 117 3HD2 LEU 117 0.191 2.558 1.120 831 H VAL 118 HN VAL 118 5.156 5.329 1.364 832 HA VAL 118 HA VAL 118 7.394 3.938 2.539 833 HB VAL 118 HB VAL 118 7.015 6.885 1.990 834 1HG1 VAL 118 1HG1 VAL 118 9.672 6.266 1.611 835 2HG1 VAL 118 2HG1 VAL 118 8.977 6.980 3.085 836 3HG1 VAL 118 3HG1 VAL 118 9.229 5.221 2.982 837 1HG2 VAL 118 1HG2 VAL 118 7.083 6.469 -0.198 838 2HG2 VAL 118 2HG2 VAL 118 8.653 5.655 0.009 839 3HG2 VAL 118 3HG2 VAL 118 7.143 4.718 0.119 840 H VAL 119 HN VAL 119 5.972 3.233 4.426 841 HA VAL 119 HA VAL 119 4.846 4.957 6.223 842 HB VAL 119 HB VAL 119 5.574 3.098 7.893 843 1HG1 VAL 119 1HG1 VAL 119 3.459 2.514 7.503 844 2HG1 VAL 119 2HG1 VAL 119 3.513 3.316 5.915 845 3HG1 VAL 119 3HG1 VAL 119 3.978 1.604 6.064 846 1HG2 VAL 119 1HG2 VAL 119 7.411 2.356 6.214 847 2HG2 VAL 119 2HG2 VAL 119 6.458 1.108 7.051 848 3HG2 VAL 119 3HG2 VAL 119 6.081 1.534 5.365 849 H HIS 120 HN HIS 120 5.555 6.349 7.805 850 HA HIS 120 HA HIS 120 8.369 6.947 7.744 851 1HB HIS 120 2HB HIS 120 5.879 8.289 8.627 852 2HB HIS 120 3HB HIS 120 7.308 8.662 9.570 853 HD1 HIS 120 HD1 HIS 120 6.815 11.125 8.443 854 HD2 HIS 120 HD2 HIS 120 8.306 8.126 5.919 855 HE1 HIS 120 HE1 HIS 120 7.734 12.317 6.383 856 H GLU 121 HN GLU 121 9.856 6.545 9.364 857 HA GLU 121 HA GLU 121 9.527 4.442 10.998 858 1HB GLU 121 2HB GLU 121 11.701 5.512 10.493 859 2HB GLU 121 3HB GLU 121 11.275 6.895 11.482 860 1HG GLU 121 2HG GLU 121 11.634 5.768 13.469 861 2HG GLU 121 3HG GLU 121 11.040 4.244 12.842 862 H LYS 122 HN LYS 122 9.463 7.897 12.161 863 HA LYS 122 HA LYS 122 7.863 6.964 14.426 864 1HB LYS 122 2HB LYS 122 10.044 8.819 14.134 865 2HB LYS 122 3HB LYS 122 8.643 9.677 14.742 866 1HG LYS 122 2HG LYS 122 8.492 7.413 16.276 867 2HG LYS 122 3HG LYS 122 10.224 7.475 16.016 868 1HD LYS 122 2HD LYS 122 10.448 9.581 17.085 869 2HD LYS 122 3HD LYS 122 8.761 9.994 16.852 870 1HE LYS 122 2HE LYS 122 8.066 8.312 18.518 871 2HE LYS 122 3HE LYS 122 9.714 7.737 18.678 872 1HZ LYS 122 1HZ LYS 122 10.322 9.942 19.464 873 2HZ LYS 122 2HZ LYS 122 8.767 10.432 19.366 874 3HZ LYS 122 3HZ LYS 122 9.189 9.259 20.421 875 H ALA 123 HN ALA 123 6.410 9.083 15.190 876 HA ALA 123 HA ALA 123 4.563 9.355 12.967 877 1HB ALA 123 1HB ALA 123 4.472 9.636 15.959 878 2HB ALA 123 2HB ALA 123 3.259 10.498 14.982 879 3HB ALA 123 3HB ALA 123 3.397 8.727 14.869 880 H ASP 124 HN ASP 124 3.325 11.713 13.252 881 HA ASP 124 HA ASP 124 5.460 13.688 13.302 882 1HB ASP 124 2HB ASP 124 3.180 13.764 11.289 883 2HB ASP 124 3HB ASP 124 4.648 14.720 11.278 884 H ASP 125 HN ASP 125 4.737 14.635 15.282 885 HA ASP 125 HA ASP 125 2.171 14.852 16.112 886 1HB ASP 125 2HB ASP 125 4.647 15.664 17.031 887 2HB ASP 125 3HB ASP 125 3.900 17.213 16.699 888 H LEU 126 HN LEU 126 3.862 16.560 13.561 889 HA LEU 126 HA LEU 126 3.295 18.163 12.155 890 1HB LEU 126 2HB LEU 126 0.616 17.196 13.063 891 2HB LEU 126 3HB LEU 126 0.705 18.629 12.057 892 HG LEU 126 HG LEU 126 2.129 16.129 11.192 893 1HD1 LEU 126 1HD1 LEU 126 -0.434 16.213 9.948 894 2HD1 LEU 126 2HD1 LEU 126 0.280 14.932 10.956 895 3HD1 LEU 126 3HD1 LEU 126 -0.669 16.234 11.712 896 1HD2 LEU 126 1HD2 LEU 126 2.568 18.145 9.931 897 2HD2 LEU 126 2HD2 LEU 126 1.604 17.019 8.945 898 3HD2 LEU 126 3HD2 LEU 126 0.825 18.426 9.707 899 H GLY 127 HN GLY 127 3.799 18.634 15.169 900 1HA GLY 127 1HA GLY 127 3.726 21.432 15.100 901 2HA GLY 127 2HA GLY 127 2.320 20.881 15.990 902 H LYS 128 HN LYS 128 5.863 21.060 15.922 903 HA LYS 128 HA LYS 128 5.862 20.155 18.717 904 1HB LYS 128 2HB LYS 128 7.511 18.703 18.320 905 2HB LYS 128 3HB LYS 128 7.106 18.869 16.623 906 1HG LYS 128 2HG LYS 128 8.733 20.820 16.488 907 2HG LYS 128 3HG LYS 128 9.203 20.488 18.143 908 1HD LYS 128 2HD LYS 128 9.868 18.158 17.472 909 2HD LYS 128 3HD LYS 128 9.434 18.524 15.814 910 1HE LYS 128 2HE LYS 128 11.673 19.068 15.667 911 2HE LYS 128 3HE LYS 128 11.099 20.618 16.249 912 1HZ LYS 128 1HZ LYS 128 11.899 20.214 18.314 913 2HZ LYS 128 2HZ LYS 128 11.759 18.590 18.214 914 3HZ LYS 128 3HZ LYS 128 12.989 19.351 17.457 915 H GLY 129 HN GLY 129 7.267 22.316 16.200 916 1HA GLY 129 1HA GLY 129 7.355 24.536 17.924 917 2HA GLY 129 2HA GLY 129 8.943 23.798 17.882 918 H GLY 130 HN GLY 130 6.547 23.789 15.192 919 1HA GLY 130 1HA GLY 130 6.831 24.393 13.029 920 2HA GLY 130 2HA GLY 130 7.183 25.958 13.733 921 H ASN 131 HN ASN 131 8.547 23.010 12.309 922 HA ASN 131 HA ASN 131 11.014 24.484 11.951 923 1HB ASN 131 2HB ASN 131 10.786 22.342 13.776 924 2HB ASN 131 3HB ASN 131 11.459 21.584 12.347 925 1HD2 ASN 131 1HD2 ASN 131 13.447 21.231 13.233 926 2HD2 ASN 131 2HD2 ASN 131 14.600 22.480 13.568 927 H GLU 132 HN GLU 132 12.159 23.802 9.970 928 HA GLU 132 HA GLU 132 10.723 23.309 7.822 929 1HB GLU 132 2HB GLU 132 13.554 22.437 8.481 930 2HB GLU 132 3HB GLU 132 12.878 22.153 6.890 931 1HG GLU 132 2HG GLU 132 13.360 24.290 6.318 932 2HG GLU 132 3HG GLU 132 12.237 24.859 7.536 933 H GLN 133 HN GLN 133 11.640 20.915 10.269 934 HA GLN 133 HA GLN 133 10.735 18.765 8.573 935 1HB GLN 133 2HB GLN 133 12.548 19.019 10.795 936 2HB GLN 133 3HB GLN 133 11.291 17.891 11.262 937 1HG GLN 133 2HG GLN 133 12.485 16.332 10.106 938 2HG GLN 133 3HG GLN 133 11.824 17.076 8.663 939 1HE2 GLN 133 1HE2 GLN 133 13.984 15.955 8.066 940 2HE2 GLN 133 2HE2 GLN 133 15.376 16.983 7.990 941 H SER 134 HN SER 134 9.857 20.491 11.617 942 HA SER 134 HA SER 134 7.650 18.838 12.137 943 1HB SER 134 2HB SER 134 7.683 19.974 14.090 944 2HB SER 134 3HB SER 134 9.044 20.886 13.467 945 HG SER 134 HG SER 134 6.573 21.794 14.061 946 H THR 135 HN THR 135 8.037 22.158 10.713 947 HA THR 135 HA THR 135 5.529 22.964 10.319 948 HB THR 135 HB THR 135 6.423 23.987 8.180 949 HG1 THR 135 1HG THR 135 8.756 22.387 8.933 950 1HG2 THR 135 1HG2 THR 135 7.457 25.428 9.628 951 2HG2 THR 135 2HG2 THR 135 7.717 24.128 10.816 952 3HG2 THR 135 3HG2 THR 135 8.895 24.385 9.506 953 H LYS 136 HN LYS 136 7.073 20.221 8.628 954 HA LYS 136 HA LYS 136 4.563 19.830 7.172 955 1HB LYS 136 2HB LYS 136 5.944 18.213 5.824 956 2HB LYS 136 3HB LYS 136 6.405 19.897 5.685 957 1HG LYS 136 2HG LYS 136 8.317 19.610 7.119 958 2HG LYS 136 3HG LYS 136 7.744 18.062 7.710 959 1HD LYS 136 2HD LYS 136 8.243 16.950 5.653 960 2HD LYS 136 3HD LYS 136 8.333 18.453 4.755 961 1HE LYS 136 2HE LYS 136 10.414 19.085 5.903 962 2HE LYS 136 3HE LYS 136 10.289 17.709 6.980 963 1HZ LYS 136 1HZ LYS 136 10.179 16.969 4.240 964 2HZ LYS 136 2HZ LYS 136 11.572 17.732 4.620 965 3HZ LYS 136 3HZ LYS 136 11.128 16.388 5.435 966 H THR 137 HN THR 137 6.900 18.300 9.440 967 HA THR 137 HA THR 137 4.748 16.456 10.198 968 HB THR 137 HB THR 137 6.398 14.605 10.225 969 HG1 THR 137 1HG THR 137 8.135 16.640 9.031 970 1HG2 THR 137 1HG2 THR 137 6.792 16.108 7.593 971 2HG2 THR 137 2HG2 THR 137 6.832 14.348 7.854 972 3HG2 THR 137 3HG2 THR 137 5.291 15.231 7.970 973 H GLY 138 HN GLY 138 7.897 15.930 11.535 974 1HA GLY 138 1HA GLY 138 7.365 17.730 13.791 975 2HA GLY 138 2HA GLY 138 7.446 16.007 14.099 976 H ASN 139 HN ASN 139 9.475 14.877 12.984 977 HA ASN 139 HA ASN 139 11.708 16.241 12.326 978 1HB ASN 139 2HB ASN 139 13.044 16.038 14.530 979 2HB ASN 139 3HB ASN 139 11.869 17.337 14.467 980 1HD2 ASN 139 1HD2 ASN 139 13.096 15.373 16.546 981 2HD2 ASN 139 2HD2 ASN 139 11.746 14.892 17.518 982 H ALA 140 HN ALA 140 10.376 13.805 11.700 983 HA ALA 140 HA ALA 140 12.487 11.901 12.295 984 1HB ALA 140 1HB ALA 140 10.027 10.470 12.498 985 2HB ALA 140 2HB ALA 140 11.262 10.716 13.756 986 3HB ALA 140 3HB ALA 140 9.916 11.869 13.592 987 H GLY 141 HN GLY 141 9.272 12.450 10.694 988 1HA GLY 141 1HA GLY 141 9.281 10.640 8.713 989 2HA GLY 141 2HA GLY 141 8.731 12.291 8.499 990 H SER 142 HN SER 142 11.328 9.971 7.910 991 HA SER 142 HA SER 142 12.565 11.984 6.204 992 1HB SER 142 2HB SER 142 13.768 10.306 8.327 993 2HB SER 142 3HB SER 142 14.631 10.219 6.804 994 HG SER 142 HG SER 142 15.311 12.251 7.028 995 H ARG 143 HN ARG 143 10.573 9.505 6.070 996 HA ARG 143 HA ARG 143 10.062 7.981 4.628 997 1HB ARG 143 2HB ARG 143 12.134 9.508 3.033 998 2HB ARG 143 3HB ARG 143 11.520 8.005 2.373 999 1HG ARG 143 2HG ARG 143 10.021 9.593 1.485 1000 2HG ARG 143 3HG ARG 143 9.142 8.984 2.874 1001 1HD ARG 143 2HD ARG 143 10.435 10.991 4.128 1002 2HD ARG 143 3HD ARG 143 10.501 11.654 2.508 1003 HE ARG 143 HE ARG 143 7.835 10.766 2.940 1004 1HH1 ARG 143 2HH2 ARG 143 10.042 13.207 4.187 1005 2HH1 ARG 143 1HH2 ARG 143 8.780 14.310 4.622 1006 1HH2 ARG 143 2HH1 ARG 143 6.169 12.221 3.515 1007 2HH2 ARG 143 1HH1 ARG 143 6.562 13.745 4.238 1008 H LEU 144 HN LEU 144 10.535 5.753 4.308 1009 HA LEU 144 HA LEU 144 13.327 4.984 4.773 1010 1HB LEU 144 2HB LEU 144 10.902 4.278 6.299 1011 2HB LEU 144 3HB LEU 144 11.939 2.929 5.882 1012 HG LEU 144 HG LEU 144 12.312 4.052 8.140 1013 1HD1 LEU 144 1HD1 LEU 144 14.146 2.814 7.995 1014 2HD1 LEU 144 2HD1 LEU 144 14.175 2.984 6.223 1015 3HD1 LEU 144 3HD1 LEU 144 14.980 4.197 7.246 1016 1HD2 LEU 144 1HD2 LEU 144 12.215 6.387 6.983 1017 2HD2 LEU 144 2HD2 LEU 144 13.337 6.111 8.338 1018 3HD2 LEU 144 3HD2 LEU 144 13.942 6.095 6.664 1019 H ALA 145 HN ALA 145 10.644 2.696 4.454 1020 HA ALA 145 HA ALA 145 11.853 1.462 2.237 1021 1HB ALA 145 1HB ALA 145 8.942 1.109 2.918 1022 2HB ALA 145 2HB ALA 145 10.161 -0.111 2.480 1023 3HB ALA 145 3HB ALA 145 10.174 0.617 4.104 1024 H CYS 146 HN CYS 146 10.317 0.975 0.199 1025 HA CYS 146 HA CYS 146 8.828 3.298 -0.600 1026 1HB CYS 146 2HB CYS 146 10.308 3.262 -2.802 1027 2HB CYS 146 3HB CYS 146 10.655 4.309 -1.440 1028 H GLY 147 HN GLY 147 7.365 1.289 -0.316 1029 1HA GLY 147 1HA GLY 147 7.652 -0.830 -2.243 1030 2HA GLY 147 2HA GLY 147 6.342 -0.580 -1.106 1031 H VAL 148 HN VAL 148 7.776 0.936 -4.084 1032 HA VAL 148 HA VAL 148 5.498 2.367 -4.790 1033 HB VAL 148 HB VAL 148 7.982 1.412 -6.124 1034 1HG1 VAL 148 1HG1 VAL 148 6.565 0.948 -7.940 1035 2HG1 VAL 148 2HG1 VAL 148 5.508 2.337 -7.591 1036 3HG1 VAL 148 3HG1 VAL 148 7.140 2.604 -8.249 1037 1HG2 VAL 148 1HG2 VAL 148 8.015 3.481 -4.842 1038 2HG2 VAL 148 2HG2 VAL 148 8.234 3.837 -6.573 1039 3HG2 VAL 148 3HG2 VAL 148 6.658 4.127 -5.796 1040 H ILE 149 HN ILE 149 3.553 1.789 -5.633 1041 HA ILE 149 HA ILE 149 3.088 -1.015 -6.072 1042 HB ILE 149 HB ILE 149 1.104 1.195 -6.505 1043 1HG1 ILE 149 2HG1 ILE 149 0.700 0.493 -3.899 1044 2HG1 ILE 149 3HG1 ILE 149 2.450 0.447 -3.978 1045 1HG2 ILE 149 1HG2 ILE 149 -0.318 -0.490 -6.715 1046 2HG2 ILE 149 2HG2 ILE 149 1.017 -1.648 -6.504 1047 3HG2 ILE 149 3HG2 ILE 149 0.106 -1.072 -5.087 1048 1HD1 ILE 149 1HD1 ILE 149 2.372 2.701 -3.690 1049 2HD1 ILE 149 2HD1 ILE 149 1.838 2.782 -5.386 1050 3HD1 ILE 149 3HD1 ILE 149 0.635 2.765 -4.075 1051 H GLY 150 HN GLY 150 3.213 -2.051 -7.989 1052 1HA GLY 150 1HA GLY 150 2.842 -0.470 -10.444 1053 2HA GLY 150 2HA GLY 150 4.308 -1.407 -10.233 1054 H ILE 151 HN ILE 151 1.798 -1.605 -12.076 1055 HA ILE 151 HA ILE 151 0.238 -3.747 -11.490 1056 HB ILE 151 HB ILE 151 1.408 -2.872 -14.130 1057 1HG1 ILE 151 2HG1 ILE 151 0.000 -1.252 -12.774 1058 2HG1 ILE 151 3HG1 ILE 151 -0.526 -1.569 -14.415 1059 1HG2 ILE 151 1HG2 ILE 151 0.703 -5.180 -14.343 1060 2HG2 ILE 151 2HG2 ILE 151 -0.866 -4.802 -13.592 1061 3HG2 ILE 151 3HG2 ILE 151 -0.450 -4.112 -15.179 1062 1HD1 ILE 151 1HD1 ILE 151 -2.219 -3.172 -13.615 1063 2HD1 ILE 151 2HD1 ILE 151 -1.642 -2.972 -11.943 1064 3HD1 ILE 151 3HD1 ILE 151 -2.422 -1.611 -12.783 1065 H ALA 152 HN ALA 152 0.343 -6.018 -11.764 1066 HA ALA 152 HA ALA 152 3.003 -7.081 -12.364 1067 1HB ALA 152 1HB ALA 152 1.313 -7.889 -9.963 1068 2HB ALA 152 2HB ALA 152 2.918 -8.521 -10.402 1069 3HB ALA 152 3HB ALA 152 2.739 -6.827 -9.885 1070 H GLN 153 HN GLN 153 2.774 -9.629 -12.512 1071 HA GLN 153 HA GLN 153 1.336 -10.256 -14.635 1072 1HB GLN 153 2HB GLN 153 2.939 -11.804 -13.670 1073 2HB GLN 153 3HB GLN 153 1.965 -12.013 -12.229 1074 1HG GLN 153 2HG GLN 153 0.192 -13.126 -13.508 1075 2HG GLN 153 3HG GLN 153 0.993 -12.762 -15.024 1076 1HE2 GLN 153 1HE2 GLN 153 0.246 -15.258 -13.393 1077 2HE2 GLN 153 2HE2 GLN 153 1.661 -16.257 -13.446 Start of MODEL 8 1 1H ALA 1 HN ALA 1 -9.846 -4.527 -11.310 2 HA ALA 1 HA ALA 1 -9.804 -6.716 -11.694 3 1HB ALA 1 1HB ALA 1 -9.122 -6.851 -14.510 4 2HB ALA 1 2HB ALA 1 -10.631 -7.325 -13.694 5 3HB ALA 1 3HB ALA 1 -10.406 -5.647 -14.245 6 H THR 2 HN THR 2 -7.309 -4.490 -12.596 7 HA THR 2 HA THR 2 -5.299 -6.595 -12.794 8 HB THR 2 HB THR 2 -4.749 -3.616 -12.888 9 HG1 THR 2 1HG THR 2 -5.572 -3.769 -15.122 10 1HG2 THR 2 1HG2 THR 2 -2.979 -4.234 -14.258 11 2HG2 THR 2 2HG2 THR 2 -3.157 -5.787 -13.407 12 3HG2 THR 2 3HG2 THR 2 -3.899 -5.560 -15.009 13 H LYS 3 HN LYS 3 -4.121 -7.306 -11.133 14 HA LYS 3 HA LYS 3 -4.326 -5.774 -8.652 15 1HB LYS 3 2HB LYS 3 -5.085 -8.158 -8.703 16 2HB LYS 3 3HB LYS 3 -3.442 -8.643 -9.069 17 1HG LYS 3 2HG LYS 3 -3.559 -6.803 -6.768 18 2HG LYS 3 3HG LYS 3 -4.526 -8.241 -6.505 19 1HD LYS 3 2HD LYS 3 -1.857 -8.772 -7.713 20 2HD LYS 3 3HD LYS 3 -1.791 -8.082 -6.104 21 1HE LYS 3 2HE LYS 3 -3.619 -9.912 -5.523 22 2HE LYS 3 3HE LYS 3 -3.055 -10.694 -6.987 23 1HZ LYS 3 1HZ LYS 3 -0.758 -10.265 -5.907 24 2HZ LYS 3 2HZ LYS 3 -1.613 -10.203 -4.517 25 3HZ LYS 3 3HZ LYS 3 -1.655 -11.548 -5.442 26 H ALA 4 HN ALA 4 -2.598 -4.707 -7.814 27 HA ALA 4 HA ALA 4 -0.048 -5.113 -9.214 28 1HB ALA 4 1HB ALA 4 0.012 -2.874 -9.376 29 2HB ALA 4 2HB ALA 4 -1.594 -2.792 -8.613 30 3HB ALA 4 3HB ALA 4 -0.126 -2.723 -7.608 31 H VAL 5 HN VAL 5 1.936 -4.809 -7.811 32 HA VAL 5 HA VAL 5 1.444 -5.488 -5.018 33 HB VAL 5 HB VAL 5 3.600 -7.083 -5.760 34 1HG1 VAL 5 1HG1 VAL 5 2.094 -7.757 -4.059 35 2HG1 VAL 5 2HG1 VAL 5 0.695 -7.688 -5.158 36 3HG1 VAL 5 3HG1 VAL 5 1.922 -8.962 -5.357 37 1HG2 VAL 5 1HG2 VAL 5 2.967 -6.811 -8.132 38 2HG2 VAL 5 2HG2 VAL 5 2.781 -8.492 -7.578 39 3HG2 VAL 5 3HG2 VAL 5 1.348 -7.452 -7.765 40 H ALA 6 HN ALA 6 3.037 -4.698 -3.607 41 HA ALA 6 HA ALA 6 5.322 -3.377 -4.868 42 1HB ALA 6 1HB ALA 6 4.201 -1.829 -2.656 43 2HB ALA 6 2HB ALA 6 4.648 -1.305 -4.298 44 3HB ALA 6 3HB ALA 6 3.040 -2.006 -3.994 45 H VAL 7 HN VAL 7 6.989 -4.552 -4.030 46 HA VAL 7 HA VAL 7 6.760 -5.638 -1.373 47 HB VAL 7 HB VAL 7 9.019 -6.543 -1.910 48 1HG1 VAL 7 1HG1 VAL 7 6.816 -7.687 -2.445 49 2HG1 VAL 7 2HG1 VAL 7 7.029 -7.122 -4.120 50 3HG1 VAL 7 3HG1 VAL 7 8.223 -8.224 -3.393 51 1HG2 VAL 7 1HG2 VAL 7 8.964 -4.530 -3.916 52 2HG2 VAL 7 2HG2 VAL 7 10.255 -5.704 -3.564 53 3HG2 VAL 7 3HG2 VAL 7 8.986 -6.104 -4.747 54 H LEU 8 HN LEU 8 6.660 -3.837 0.030 55 HA LEU 8 HA LEU 8 8.001 -1.537 -0.016 56 1HB LEU 8 2HB LEU 8 7.196 -3.364 2.203 57 2HB LEU 8 3HB LEU 8 8.177 -1.963 2.589 58 HG LEU 8 HG LEU 8 5.622 -1.767 2.779 59 1HD1 LEU 8 1HD1 LEU 8 6.977 0.356 1.104 60 2HD1 LEU 8 2HD1 LEU 8 5.673 0.558 2.299 61 3HD1 LEU 8 3HD1 LEU 8 7.309 0.106 2.835 62 1HD2 LEU 8 1HD2 LEU 8 4.731 -0.862 0.462 63 2HD2 LEU 8 2HD2 LEU 8 5.959 -1.976 -0.184 64 3HD2 LEU 8 3HD2 LEU 8 4.666 -2.592 0.873 65 H LYS 9 HN LYS 9 10.064 -0.737 0.238 66 HA LYS 9 HA LYS 9 12.171 -2.669 0.028 67 1HB LYS 9 2HB LYS 9 11.882 -0.339 -1.144 68 2HB LYS 9 3HB LYS 9 12.591 0.293 0.328 69 1HG LYS 9 2HG LYS 9 14.061 -2.063 -0.638 70 2HG LYS 9 3HG LYS 9 13.977 -0.818 -1.868 71 1HD LYS 9 2HD LYS 9 14.544 0.434 0.690 72 2HD LYS 9 3HD LYS 9 15.666 -0.891 0.449 73 1HE LYS 9 2HE LYS 9 15.641 0.294 -2.069 74 2HE LYS 9 3HE LYS 9 15.443 1.683 -1.019 75 1HZ LYS 9 1HZ LYS 9 17.730 1.283 -1.274 76 2HZ LYS 9 2HZ LYS 9 17.366 0.819 0.249 77 3HZ LYS 9 3HZ LYS 9 17.599 -0.305 -0.914 78 H GLY 10 HN GLY 10 11.273 -0.042 2.372 79 1HA GLY 10 1HA GLY 10 11.488 -0.021 4.628 80 2HA GLY 10 2HA GLY 10 12.078 -1.671 4.592 81 H ASP 11 HN ASP 11 12.942 1.439 5.395 82 HA ASP 11 HA ASP 11 15.419 1.801 4.302 83 1HB ASP 11 2HB ASP 11 13.962 3.299 5.896 84 2HB ASP 11 3HB ASP 11 14.783 2.465 7.200 85 H GLY 12 HN GLY 12 14.247 -0.528 6.641 86 1HA GLY 12 1HA GLY 12 16.684 -1.950 6.735 87 2HA GLY 12 2HA GLY 12 16.501 -1.015 8.206 88 HA PRO 13 HA PRO 13 13.564 -3.848 9.688 89 1HB PRO 13 2HB PRO 13 11.656 -2.346 10.941 90 2HB PRO 13 3HB PRO 13 13.220 -2.694 11.650 91 1HG PRO 13 2HG PRO 13 12.252 -0.176 10.441 92 2HG PRO 13 3HG PRO 13 13.615 -0.425 11.515 93 1HD PRO 13 2HD PRO 13 13.719 -0.005 8.679 94 2HD PRO 13 3HD PRO 13 15.069 -0.369 9.735 95 H VAL 14 HN VAL 14 11.507 -1.219 8.508 96 HA VAL 14 HA VAL 14 9.311 -2.596 7.878 97 HB VAL 14 HB VAL 14 10.749 -0.389 6.426 98 1HG1 VAL 14 1HG1 VAL 14 8.280 -1.862 5.593 99 2HG1 VAL 14 2HG1 VAL 14 8.319 -0.094 5.389 100 3HG1 VAL 14 3HG1 VAL 14 9.553 -1.108 4.603 101 1HG2 VAL 14 1HG2 VAL 14 9.903 0.681 8.222 102 2HG2 VAL 14 2HG2 VAL 14 8.363 0.599 7.334 103 3HG2 VAL 14 3HG2 VAL 14 8.740 -0.619 8.576 104 H GLN 15 HN GLN 15 8.503 -3.886 6.165 105 HA GLN 15 HA GLN 15 9.767 -4.466 3.853 106 1HB GLN 15 2HB GLN 15 11.293 -5.565 5.955 107 2HB GLN 15 3HB GLN 15 10.402 -6.930 5.312 108 1HG GLN 15 2HG GLN 15 11.281 -5.471 3.033 109 2HG GLN 15 3HG GLN 15 12.647 -5.477 4.131 110 1HE2 GLN 15 1HE2 GLN 15 12.211 -7.874 5.470 111 2HE2 GLN 15 2HE2 GLN 15 12.454 -9.208 4.392 112 H GLY 16 HN GLY 16 7.263 -4.158 3.971 113 1HA GLY 16 1HA GLY 16 5.937 -6.735 4.527 114 2HA GLY 16 2HA GLY 16 5.167 -5.161 4.500 115 H ILE 17 HN ILE 17 3.597 -5.891 2.930 116 HA ILE 17 HA ILE 17 4.575 -5.621 0.237 117 HB ILE 17 HB ILE 17 2.937 -8.062 0.692 118 1HG1 ILE 17 2HG1 ILE 17 5.945 -8.041 1.073 119 2HG1 ILE 17 3HG1 ILE 17 4.780 -8.187 2.374 120 1HG2 ILE 17 1HG2 ILE 17 3.593 -7.025 -1.563 121 2HG2 ILE 17 2HG2 ILE 17 5.225 -7.651 -1.227 122 3HG2 ILE 17 3HG2 ILE 17 3.848 -8.773 -1.340 123 1HD1 ILE 17 1HD1 ILE 17 4.540 -10.402 1.976 124 2HD1 ILE 17 2HD1 ILE 17 4.107 -10.085 0.279 125 3HD1 ILE 17 3HD1 ILE 17 5.816 -10.274 0.741 126 H ILE 18 HN ILE 18 3.153 -4.373 -0.864 127 HA ILE 18 HA ILE 18 0.389 -4.364 0.130 128 HB ILE 18 HB ILE 18 1.524 -2.374 0.890 129 1HG1 ILE 18 2HG1 ILE 18 -0.893 -2.406 -0.088 130 2HG1 ILE 18 3HG1 ILE 18 -0.134 -0.881 0.327 131 1HG2 ILE 18 1HG2 ILE 18 2.321 -0.698 -0.839 132 2HG2 ILE 18 2HG2 ILE 18 3.350 -2.129 -0.588 133 3HG2 ILE 18 3HG2 ILE 18 2.288 -2.036 -2.014 134 1HD1 ILE 18 1HD1 ILE 18 0.618 -0.658 -2.084 135 2HD1 ILE 18 2HD1 ILE 18 -0.331 -2.117 -2.455 136 3HD1 ILE 18 3HD1 ILE 18 -1.149 -0.648 -1.872 137 H ASN 19 HN ASN 19 -1.124 -4.848 -1.379 138 HA ASN 19 HA ASN 19 -0.172 -4.856 -4.131 139 1HB ASN 19 2HB ASN 19 -2.696 -6.298 -3.319 140 2HB ASN 19 3HB ASN 19 -1.509 -6.752 -4.526 141 1HD2 ASN 19 1HD2 ASN 19 -2.697 -8.292 -2.351 142 2HD2 ASN 19 2HD2 ASN 19 -1.400 -8.891 -1.372 143 H PHE 20 HN PHE 20 -1.898 -4.272 -5.804 144 HA PHE 20 HA PHE 20 -3.986 -2.561 -4.662 145 1HB PHE 20 2HB PHE 20 -1.678 -2.005 -6.474 146 2HB PHE 20 3HB PHE 20 -3.201 -1.465 -7.152 147 HD1 PHE 20 1HD PHE 20 -4.329 0.447 -6.282 148 HD2 PHE 20 2HD PHE 20 -0.900 -1.075 -4.298 149 HE1 PHE 20 1HE PHE 20 -4.213 2.529 -4.884 150 HE2 PHE 20 2HE PHE 20 -0.785 1.006 -2.900 151 HZ PHE 20 HZ PHE 20 -2.443 2.783 -3.210 152 H GLU 21 HN GLU 21 -5.615 -4.133 -5.051 153 HA GLU 21 HA GLU 21 -5.894 -4.892 -7.847 154 1HB GLU 21 2HB GLU 21 -5.765 -6.692 -6.040 155 2HB GLU 21 3HB GLU 21 -7.304 -6.111 -5.436 156 1HG GLU 21 2HG GLU 21 -8.492 -6.857 -7.314 157 2HG GLU 21 3HG GLU 21 -7.107 -6.730 -8.380 158 H GLN 22 HN GLN 22 -7.850 -4.486 -8.980 159 HA GLN 22 HA GLN 22 -9.807 -2.934 -7.488 160 1HB GLN 22 2HB GLN 22 -8.401 -1.343 -8.741 161 2HB GLN 22 3HB GLN 22 -8.661 -2.235 -10.227 162 1HG GLN 22 2HG GLN 22 -11.239 -1.630 -9.033 163 2HG GLN 22 3HG GLN 22 -10.293 -0.157 -9.115 164 1HE2 GLN 22 1HE2 GLN 22 -9.513 0.595 -11.102 165 2HE2 GLN 22 2HE2 GLN 22 -10.216 0.125 -12.614 166 H LYS 23 HN LYS 23 -10.466 -5.438 -7.619 167 HA LYS 23 HA LYS 23 -11.499 -6.293 -10.123 168 1HB LYS 23 2HB LYS 23 -11.539 -7.306 -7.299 169 2HB LYS 23 3HB LYS 23 -12.662 -7.986 -8.460 170 1HG LYS 23 2HG LYS 23 -10.101 -7.812 -9.760 171 2HG LYS 23 3HG LYS 23 -9.830 -8.510 -8.176 172 1HD LYS 23 2HD LYS 23 -10.349 -10.431 -9.399 173 2HD LYS 23 3HD LYS 23 -11.933 -10.016 -8.775 174 1HE LYS 23 2HE LYS 23 -12.280 -8.660 -10.957 175 2HE LYS 23 3HE LYS 23 -10.834 -9.444 -11.561 176 1HZ LYS 23 1HZ LYS 23 -13.069 -10.988 -10.465 177 2HZ LYS 23 2HZ LYS 23 -13.012 -10.552 -12.038 178 3HZ LYS 23 3HZ LYS 23 -11.850 -11.516 -11.415 179 H GLU 24 HN GLU 24 -12.564 -3.998 -10.351 180 HA GLU 24 HA GLU 24 -15.331 -4.428 -9.651 181 1HB GLU 24 2HB GLU 24 -13.624 -2.213 -8.609 182 2HB GLU 24 3HB GLU 24 -15.189 -1.722 -9.225 183 1HG GLU 24 2HG GLU 24 -15.333 -4.154 -7.544 184 2HG GLU 24 3HG GLU 24 -14.690 -2.772 -6.681 185 H SER 25 HN SER 25 -16.733 -2.635 -10.837 186 HA SER 25 HA SER 25 -15.994 -2.807 -13.541 187 1HB SER 25 2HB SER 25 -18.190 -1.088 -12.309 188 2HB SER 25 3HB SER 25 -18.102 -1.636 -13.971 189 HG SER 25 HG SER 25 -17.939 -3.754 -12.172 190 H ASN 26 HN ASN 26 -13.799 -1.610 -12.701 191 HA ASN 26 HA ASN 26 -12.483 0.083 -13.031 192 1HB ASN 26 2HB ASN 26 -14.787 0.769 -14.763 193 2HB ASN 26 3HB ASN 26 -13.927 2.194 -14.216 194 1HD2 ASN 26 1HD2 ASN 26 -13.923 -0.555 -16.245 195 2HD2 ASN 26 2HD2 ASN 26 -12.384 -0.339 -17.010 196 H GLY 27 HN GLY 27 -14.409 -0.148 -10.688 197 1HA GLY 27 1HA GLY 27 -15.094 2.572 -9.971 198 2HA GLY 27 2HA GLY 27 -15.360 1.114 -9.036 199 HA PRO 28 HA PRO 28 -11.954 2.935 -6.845 200 1HB PRO 28 2HB PRO 28 -12.573 1.896 -4.394 201 2HB PRO 28 3HB PRO 28 -13.190 3.433 -4.967 202 1HG PRO 28 2HG PRO 28 -14.593 0.841 -4.741 203 2HG PRO 28 3HG PRO 28 -15.274 2.448 -4.897 204 1HD PRO 28 2HD PRO 28 -15.067 0.464 -6.959 205 2HD PRO 28 3HD PRO 28 -15.641 2.110 -7.142 206 H VAL 29 HN VAL 29 -9.933 2.250 -6.039 207 HA VAL 29 HA VAL 29 -9.473 -0.515 -6.817 208 HB VAL 29 HB VAL 29 -7.540 1.684 -6.060 209 1HG1 VAL 29 1HG1 VAL 29 -6.298 -0.250 -5.814 210 2HG1 VAL 29 2HG1 VAL 29 -7.215 -1.130 -7.060 211 3HG1 VAL 29 3HG1 VAL 29 -6.032 0.112 -7.536 212 1HG2 VAL 29 1HG2 VAL 29 -8.249 0.734 -8.850 213 2HG2 VAL 29 2HG2 VAL 29 -8.978 2.164 -8.081 214 3HG2 VAL 29 3HG2 VAL 29 -7.226 2.116 -8.390 215 H LYS 30 HN LYS 30 -8.979 -2.146 -5.391 216 HA LYS 30 HA LYS 30 -9.459 -1.588 -2.623 217 1HB LYS 30 2HB LYS 30 -9.448 -3.894 -4.391 218 2HB LYS 30 3HB LYS 30 -8.579 -4.239 -2.909 219 1HG LYS 30 2HG LYS 30 -10.480 -3.621 -1.536 220 2HG LYS 30 3HG LYS 30 -11.320 -2.906 -2.898 221 1HD LYS 30 2HD LYS 30 -10.811 -5.536 -3.754 222 2HD LYS 30 3HD LYS 30 -11.189 -5.730 -2.054 223 1HE LYS 30 2HE LYS 30 -13.357 -4.768 -2.291 224 2HE LYS 30 3HE LYS 30 -12.949 -3.980 -3.802 225 1HZ LYS 30 1HZ LYS 30 -12.674 -6.821 -3.872 226 2HZ LYS 30 2HZ LYS 30 -14.205 -6.320 -3.601 227 3HZ LYS 30 3HZ LYS 30 -13.405 -5.819 -4.934 228 H VAL 31 HN VAL 31 -7.831 -0.311 -1.759 229 HA VAL 31 HA VAL 31 -5.085 -1.121 -2.230 230 HB VAL 31 HB VAL 31 -6.315 1.193 -0.721 231 1HG1 VAL 31 1HG1 VAL 31 -4.302 1.378 0.250 232 2HG1 VAL 31 2HG1 VAL 31 -3.571 0.175 -0.839 233 3HG1 VAL 31 3HG1 VAL 31 -3.702 1.874 -1.351 234 1HG2 VAL 31 1HG2 VAL 31 -5.034 2.321 -2.811 235 2HG2 VAL 31 2HG2 VAL 31 -5.495 0.768 -3.548 236 3HG2 VAL 31 3HG2 VAL 31 -6.745 1.833 -2.859 237 H TRP 32 HN TRP 32 -4.065 -2.554 -0.936 238 HA TRP 32 HA TRP 32 -4.496 -2.470 1.896 239 1HB TRP 32 2HB TRP 32 -5.653 -4.359 2.272 240 2HB TRP 32 3HB TRP 32 -6.351 -3.954 0.716 241 HD1 TRP 32 HD1 TRP 32 -3.613 -6.321 2.157 242 HE1 TRP 32 HE1 TRP 32 -3.324 -8.452 0.627 243 HE3 TRP 32 HE3 TRP 32 -6.809 -4.785 -1.487 244 HZ2 TRP 32 HZ2 TRP 32 -4.440 -9.237 -1.879 245 HZ3 TRP 32 HZ3 TRP 32 -7.153 -6.293 -3.442 246 HH2 TRP 32 HH2 TRP 32 -6.030 -8.451 -3.672 247 H GLY 33 HN GLY 33 -2.754 -3.578 2.995 248 1HA GLY 33 1HA GLY 33 -0.888 -5.218 1.629 249 2HA GLY 33 2HA GLY 33 -0.304 -3.567 1.693 250 H SER 34 HN SER 34 1.451 -4.406 3.090 251 HA SER 34 HA SER 34 0.637 -4.218 5.828 252 1HB SER 34 2HB SER 34 0.904 -6.777 4.740 253 2HB SER 34 3HB SER 34 2.472 -6.507 5.473 254 HG SER 34 HG SER 34 0.091 -5.885 6.953 255 H ILE 35 HN ILE 35 2.476 -3.708 7.250 256 HA ILE 35 HA ILE 35 5.032 -3.355 5.915 257 HB ILE 35 HB ILE 35 3.243 -1.154 6.823 258 1HG1 ILE 35 2HG1 ILE 35 5.199 -0.474 4.827 259 2HG1 ILE 35 3HG1 ILE 35 4.459 -2.004 4.398 260 1HG2 ILE 35 1HG2 ILE 35 4.881 -0.594 8.331 261 2HG2 ILE 35 2HG2 ILE 35 6.187 -1.308 7.354 262 3HG2 ILE 35 3HG2 ILE 35 5.465 0.247 6.875 263 1HD1 ILE 35 1HD1 ILE 35 3.332 0.357 3.756 264 2HD1 ILE 35 2HD1 ILE 35 2.350 -1.079 4.129 265 3HD1 ILE 35 3HD1 ILE 35 2.620 0.162 5.375 266 H LYS 36 HN LYS 36 6.113 -4.794 7.213 267 HA LYS 36 HA LYS 36 5.769 -4.437 10.102 268 1HB LYS 36 2HB LYS 36 6.604 -6.698 10.337 269 2HB LYS 36 3HB LYS 36 5.244 -6.674 9.232 270 1HG LYS 36 2HG LYS 36 6.907 -6.578 7.301 271 2HG LYS 36 3HG LYS 36 8.198 -6.793 8.466 272 1HD LYS 36 2HD LYS 36 7.553 -8.962 7.454 273 2HD LYS 36 3HD LYS 36 7.245 -8.963 9.179 274 1HE LYS 36 2HE LYS 36 5.003 -9.248 8.880 275 2HE LYS 36 3HE LYS 36 4.917 -7.954 7.701 276 1HZ LYS 36 1HZ LYS 36 5.599 -9.435 6.015 277 2HZ LYS 36 2HZ LYS 36 5.955 -10.627 7.072 278 3HZ LYS 36 3HZ LYS 36 4.401 -10.185 6.832 279 H GLY 37 HN GLY 37 7.316 -3.339 11.172 280 1HA GLY 37 1HA GLY 37 10.006 -3.739 11.071 281 2HA GLY 37 2HA GLY 37 9.723 -2.556 9.809 282 H LEU 38 HN LEU 38 7.456 -1.180 11.000 283 HA LEU 38 HA LEU 38 8.884 0.580 12.691 284 1HB LEU 38 2HB LEU 38 5.926 0.435 12.092 285 2HB LEU 38 3HB LEU 38 6.771 1.788 12.818 286 HG LEU 38 HG LEU 38 8.178 1.429 10.475 287 1HD1 LEU 38 1HD1 LEU 38 6.982 0.497 8.851 288 2HD1 LEU 38 2HD1 LEU 38 5.847 -0.062 10.103 289 3HD1 LEU 38 3HD1 LEU 38 5.548 1.473 9.253 290 1HD2 LEU 38 1HD2 LEU 38 7.128 3.478 9.741 291 2HD2 LEU 38 2HD2 LEU 38 5.774 3.232 10.870 292 3HD2 LEU 38 3HD2 LEU 38 7.410 3.548 11.497 293 H THR 39 HN THR 39 6.007 0.669 14.212 294 HA THR 39 HA THR 39 6.292 -1.574 15.980 295 HB THR 39 HB THR 39 6.658 0.114 17.963 296 HG1 THR 39 1HG THR 39 6.372 1.926 16.336 297 1HG2 THR 39 1HG2 THR 39 9.027 -0.134 17.863 298 2HG2 THR 39 2HG2 THR 39 8.445 -1.507 16.891 299 3HG2 THR 39 3HG2 THR 39 9.048 -0.039 16.085 300 H GLU 40 HN GLU 40 4.434 -1.983 17.144 301 HA GLU 40 HA GLU 40 2.095 -1.221 16.170 302 1HB GLU 40 2HB GLU 40 1.074 -1.947 18.274 303 2HB GLU 40 3HB GLU 40 2.437 -2.982 17.896 304 1HG GLU 40 2HG GLU 40 3.242 -2.520 19.967 305 2HG GLU 40 3HG GLU 40 3.600 -0.905 19.388 306 H GLY 41 HN GLY 41 1.277 0.787 15.754 307 1HA GLY 41 1HA GLY 41 0.487 2.577 17.683 308 2HA GLY 41 2HA GLY 41 2.101 3.088 17.232 309 H LEU 42 HN LEU 42 0.516 5.009 16.588 310 HA LEU 42 HA LEU 42 -0.875 4.601 14.118 311 1HB LEU 42 2HB LEU 42 -0.332 6.943 15.916 312 2HB LEU 42 3HB LEU 42 -1.001 7.182 14.314 313 HG LEU 42 HG LEU 42 -2.916 5.732 14.895 314 1HD1 LEU 42 1HD1 LEU 42 -2.517 4.222 16.507 315 2HD1 LEU 42 2HD1 LEU 42 -1.283 5.232 17.296 316 3HD1 LEU 42 3HD1 LEU 42 -3.009 5.530 17.610 317 1HD2 LEU 42 1HD2 LEU 42 -2.347 8.348 15.878 318 2HD2 LEU 42 2HD2 LEU 42 -3.916 7.635 15.431 319 3HD2 LEU 42 3HD2 LEU 42 -3.315 7.487 17.100 320 H HIS 43 HN HIS 43 -0.346 5.632 12.075 321 HA HIS 43 HA HIS 43 2.348 6.639 11.834 322 1HB HIS 43 2HB HIS 43 1.430 4.040 10.615 323 2HB HIS 43 3HB HIS 43 2.669 5.007 9.841 324 HD1 HIS 43 HD1 HIS 43 4.238 5.930 12.394 325 HD2 HIS 43 HD2 HIS 43 2.969 2.003 11.645 326 HE1 HIS 43 HE1 HIS 43 5.760 4.412 13.770 327 H GLY 44 HN GLY 44 2.644 7.922 9.927 328 1HA GLY 44 1HA GLY 44 0.368 9.279 9.040 329 2HA GLY 44 2HA GLY 44 1.967 9.343 8.325 330 H PHE 45 HN PHE 45 0.765 9.510 6.233 331 HA PHE 45 HA PHE 45 -0.336 6.931 5.389 332 1HB PHE 45 2HB PHE 45 -1.203 9.610 5.188 333 2HB PHE 45 3HB PHE 45 -0.475 9.338 3.618 334 HD1 PHE 45 1HD PHE 45 -2.179 9.069 2.085 335 HD2 PHE 45 2HD PHE 45 -2.478 7.086 5.825 336 HE1 PHE 45 1HE PHE 45 -4.275 7.925 1.311 337 HE2 PHE 45 2HE PHE 45 -4.573 5.942 5.051 338 HZ PHE 45 HZ PHE 45 -5.447 6.375 2.803 339 H HIS 46 HN HIS 46 0.076 6.433 2.966 340 HA HIS 46 HA HIS 46 2.932 6.825 2.532 341 1HB HIS 46 2HB HIS 46 2.659 4.907 0.936 342 2HB HIS 46 3HB HIS 46 2.363 4.532 2.622 343 HD1 HIS 46 HD1 HIS 46 0.893 4.161 -0.677 344 HD2 HIS 46 HD2 HIS 46 -0.577 4.509 3.237 345 HE1 HIS 46 HE1 HIS 46 -1.509 3.303 -0.736 346 H VAL 47 HN VAL 47 2.589 9.073 1.803 347 HA VAL 47 HA VAL 47 2.063 9.094 -1.041 348 HB VAL 47 HB VAL 47 0.622 11.049 0.745 349 1HG1 VAL 47 1HG1 VAL 47 1.113 10.915 -2.045 350 2HG1 VAL 47 2HG1 VAL 47 -0.611 10.540 -1.805 351 3HG1 VAL 47 3HG1 VAL 47 0.068 12.056 -1.165 352 1HG2 VAL 47 1HG2 VAL 47 -0.236 8.825 1.284 353 2HG2 VAL 47 2HG2 VAL 47 -1.439 9.748 0.352 354 3HG2 VAL 47 3HG2 VAL 47 -0.478 8.479 -0.445 355 H HIS 48 HN HIS 48 3.444 10.492 -2.083 356 HA HIS 48 HA HIS 48 4.474 12.788 -0.829 357 1HB HIS 48 2HB HIS 48 6.507 12.196 -0.056 358 2HB HIS 48 3HB HIS 48 5.723 10.646 0.179 359 HD1 HIS 48 HD1 HIS 48 7.635 12.363 -2.684 360 HD2 HIS 48 HD2 HIS 48 7.195 8.609 -0.864 361 HE1 HIS 48 HE1 HIS 48 9.244 10.791 -3.888 362 H GLU 49 HN GLU 49 5.031 14.205 -2.434 363 HA GLU 49 HA GLU 49 5.109 14.951 -4.490 364 1HB GLU 49 2HB GLU 49 7.489 13.922 -3.887 365 2HB GLU 49 3HB GLU 49 7.119 12.807 -5.187 366 1HG GLU 49 2HG GLU 49 6.542 14.936 -6.593 367 2HG GLU 49 3HG GLU 49 7.367 15.835 -5.336 368 H GLU 50 HN GLU 50 2.888 14.187 -4.982 369 HA GLU 50 HA GLU 50 2.413 11.716 -6.123 370 1HB GLU 50 2HB GLU 50 0.247 12.602 -6.718 371 2HB GLU 50 3HB GLU 50 0.695 13.311 -5.180 372 1HG GLU 50 2HG GLU 50 1.621 15.316 -6.513 373 2HG GLU 50 3HG GLU 50 0.852 14.625 -7.928 374 H GLU 51 HN GLU 51 2.771 10.878 -8.148 375 HA GLU 51 HA GLU 51 3.343 10.729 -10.237 376 1HB GLU 51 2HB GLU 51 2.681 13.661 -10.683 377 2HB GLU 51 3HB GLU 51 2.605 12.353 -11.846 378 1HG GLU 51 2HG GLU 51 0.878 11.336 -10.036 379 2HG GLU 51 3HG GLU 51 0.696 13.027 -9.615 380 H ASP 52 HN ASP 52 5.157 11.125 -11.709 381 HA ASP 52 HA ASP 52 6.870 13.250 -11.457 382 1HB ASP 52 2HB ASP 52 7.138 11.469 -9.269 383 2HB ASP 52 3HB ASP 52 8.469 11.057 -10.332 384 H ASN 53 HN ASN 53 8.644 12.995 -13.015 385 HA ASN 53 HA ASN 53 8.708 10.390 -14.307 386 1HB ASN 53 2HB ASN 53 8.535 13.132 -15.660 387 2HB ASN 53 3HB ASN 53 8.952 11.665 -16.523 388 1HD2 ASN 53 1HD2 ASN 53 7.176 11.719 -17.835 389 2HD2 ASN 53 2HD2 ASN 53 5.562 11.385 -17.301 390 H THR 54 HN THR 54 10.627 10.802 -12.507 391 HA THR 54 HA THR 54 12.992 11.303 -14.077 392 HB THR 54 HB THR 54 12.609 13.588 -13.405 393 HG1 THR 54 1HG THR 54 14.461 13.759 -12.019 394 1HG2 THR 54 1HG2 THR 54 12.521 13.033 -10.474 395 2HG2 THR 54 2HG2 THR 54 11.642 14.259 -11.417 396 3HG2 THR 54 3HG2 THR 54 11.040 12.585 -11.355 397 H ALA 55 HN ALA 55 11.561 10.663 -10.825 398 HA ALA 55 HA ALA 55 12.630 8.185 -10.518 399 1HB ALA 55 1HB ALA 55 14.706 10.148 -10.412 400 2HB ALA 55 2HB ALA 55 14.475 9.520 -8.762 401 3HB ALA 55 3HB ALA 55 14.825 8.400 -10.100 402 H GLY 56 HN GLY 56 11.237 7.413 -9.020 403 1HA GLY 56 1HA GLY 56 10.187 9.293 -7.020 404 2HA GLY 56 2HA GLY 56 9.457 7.786 -7.535 405 H CYS 57 HN CYS 57 11.581 5.956 -7.367 406 HA CYS 57 HA CYS 57 11.803 5.770 -4.499 407 1HB CYS 57 2HB CYS 57 11.468 3.930 -6.572 408 2HB CYS 57 3HB CYS 57 13.106 3.658 -6.013 409 H THR 58 HN THR 58 13.234 7.956 -5.148 410 HA THR 58 HA THR 58 16.021 7.004 -5.291 411 HB THR 58 HB THR 58 14.514 9.055 -6.789 412 HG1 THR 58 1HG THR 58 16.531 8.683 -8.055 413 1HG2 THR 58 1HG2 THR 58 15.647 10.669 -5.302 414 2HG2 THR 58 2HG2 THR 58 17.176 9.772 -5.453 415 3HG2 THR 58 3HG2 THR 58 16.502 10.625 -6.863 416 H SER 59 HN SER 59 13.602 9.049 -3.672 417 HA SER 59 HA SER 59 13.719 10.302 -1.882 418 1HB SER 59 2HB SER 59 14.508 9.161 0.127 419 2HB SER 59 3HB SER 59 13.751 7.991 -0.936 420 HG SER 59 HG SER 59 16.223 7.892 0.087 421 H ALA 60 HN ALA 60 14.961 12.037 -2.978 422 HA ALA 60 HA ALA 60 17.484 12.474 -1.620 423 1HB ALA 60 1HB ALA 60 18.826 12.212 -3.410 424 2HB ALA 60 2HB ALA 60 17.457 11.406 -4.212 425 3HB ALA 60 3HB ALA 60 17.729 13.149 -4.452 426 H GLY 61 HN GLY 61 14.544 13.454 -1.845 427 1HA GLY 61 1HA GLY 61 14.485 15.891 -1.071 428 2HA GLY 61 2HA GLY 61 15.082 16.229 -2.684 429 HA PRO 62 HA PRO 62 10.594 14.637 -2.904 430 1HB PRO 62 2HB PRO 62 9.058 15.009 -0.674 431 2HB PRO 62 3HB PRO 62 9.812 13.478 -1.074 432 1HG PRO 62 2HG PRO 62 10.597 15.450 0.984 433 2HG PRO 62 3HG PRO 62 11.054 13.764 0.849 434 1HD PRO 62 2HD PRO 62 12.671 16.038 0.184 435 2HD PRO 62 3HD PRO 62 13.083 14.352 -0.059 436 H HIS 63 HN HIS 63 9.400 15.887 -4.198 437 HA HIS 63 HA HIS 63 9.304 18.681 -3.337 438 1HB HIS 63 2HB HIS 63 10.373 17.792 -5.596 439 2HB HIS 63 3HB HIS 63 8.708 17.817 -6.142 440 HD1 HIS 63 HD1 HIS 63 11.624 19.951 -5.815 441 HD2 HIS 63 HD2 HIS 63 7.470 20.526 -5.745 442 HE1 HIS 63 HE1 HIS 63 11.240 22.438 -6.236 443 H PHE 64 HN PHE 64 7.541 17.334 -1.899 444 HA PHE 64 HA PHE 64 5.209 16.430 -2.765 445 1HB PHE 64 2HB PHE 64 5.544 18.673 -0.688 446 2HB PHE 64 3HB PHE 64 4.282 17.457 -0.680 447 HD1 PHE 64 1HD PHE 64 4.825 15.113 -0.103 448 HD2 PHE 64 2HD PHE 64 7.732 18.193 0.164 449 HE1 PHE 64 1HE PHE 64 6.256 13.638 1.339 450 HE2 PHE 64 2HE PHE 64 9.162 16.719 1.606 451 HZ PHE 64 HZ PHE 64 8.407 14.459 2.176 452 H ASN 65 HN ASN 65 3.057 17.323 -3.203 453 HA ASN 65 HA ASN 65 3.291 19.605 -4.904 454 1HB ASN 65 2HB ASN 65 1.873 17.413 -5.278 455 2HB ASN 65 3HB ASN 65 0.704 18.151 -4.200 456 1HD2 ASN 65 1HD2 ASN 65 -0.489 19.889 -4.830 457 2HD2 ASN 65 2HD2 ASN 65 -0.546 20.500 -6.450 458 HA PRO 66 HA PRO 66 1.641 22.323 -1.873 459 1HB PRO 66 2HB PRO 66 0.941 24.444 -3.448 460 2HB PRO 66 3HB PRO 66 2.580 24.159 -2.896 461 1HG PRO 66 2HG PRO 66 1.428 23.724 -5.584 462 2HG PRO 66 3HG PRO 66 3.112 23.856 -5.120 463 1HD PRO 66 2HD PRO 66 1.690 21.447 -5.751 464 2HD PRO 66 3HD PRO 66 3.340 21.569 -5.176 465 H LEU 67 HN LEU 67 -0.037 20.329 -2.055 466 HA LEU 67 HA LEU 67 -2.598 21.695 -2.518 467 1HB LEU 67 2HB LEU 67 -1.563 19.129 -3.425 468 2HB LEU 67 3HB LEU 67 -3.080 18.961 -2.565 469 HG LEU 67 HG LEU 67 -4.232 20.371 -4.100 470 1HD1 LEU 67 1HD1 LEU 67 -3.232 22.138 -4.990 471 2HD1 LEU 67 2HD1 LEU 67 -1.625 21.500 -4.564 472 3HD1 LEU 67 3HD1 LEU 67 -2.380 21.050 -6.111 473 1HD2 LEU 67 1HD2 LEU 67 -3.985 18.116 -4.887 474 2HD2 LEU 67 2HD2 LEU 67 -3.836 19.221 -6.274 475 3HD2 LEU 67 3HD2 LEU 67 -2.381 18.476 -5.569 476 H SER 68 HN SER 68 -0.703 19.407 -0.482 477 HA SER 68 HA SER 68 -2.522 18.720 1.346 478 1HB SER 68 2HB SER 68 0.370 18.967 1.235 479 2HB SER 68 3HB SER 68 -0.183 19.413 2.836 480 HG SER 68 HG SER 68 -0.994 17.392 3.188 481 H ARG 69 HN ARG 69 -1.171 21.929 0.761 482 HA ARG 69 HA ARG 69 -1.694 23.884 1.524 483 1HB ARG 69 2HB ARG 69 -3.929 22.366 2.941 484 2HB ARG 69 3HB ARG 69 -3.744 24.098 3.126 485 1HG ARG 69 2HG ARG 69 -3.587 23.854 0.379 486 2HG ARG 69 3HG ARG 69 -4.671 22.533 0.763 487 1HD ARG 69 2HD ARG 69 -5.886 24.358 2.286 488 2HD ARG 69 3HD ARG 69 -5.056 25.498 1.246 489 HE ARG 69 HE ARG 69 -6.275 23.553 -0.436 490 1HH1 ARG 69 2HH2 ARG 69 -7.233 26.102 1.793 491 2HH1 ARG 69 1HH2 ARG 69 -8.734 26.417 0.988 492 1HH2 ARG 69 2HH1 ARG 69 -8.254 23.969 -1.499 493 2HH2 ARG 69 1HH1 ARG 69 -9.318 25.196 -0.897 494 H LYS 70 HN LYS 70 -2.345 21.631 4.321 495 HA LYS 70 HA LYS 70 0.001 22.115 5.669 496 1HB LYS 70 2HB LYS 70 -1.704 24.401 5.776 497 2HB LYS 70 3HB LYS 70 -1.705 23.670 7.369 498 1HG LYS 70 2HG LYS 70 0.844 23.578 7.244 499 2HG LYS 70 3HG LYS 70 0.751 24.489 5.750 500 1HD LYS 70 2HD LYS 70 -0.808 26.082 7.322 501 2HD LYS 70 3HD LYS 70 0.217 25.388 8.563 502 1HE LYS 70 2HE LYS 70 2.207 26.277 7.603 503 2HE LYS 70 3HE LYS 70 1.466 26.503 6.032 504 1HZ LYS 70 1HZ LYS 70 0.115 27.952 8.051 505 2HZ LYS 70 2HZ LYS 70 1.690 28.374 7.969 506 3HZ LYS 70 3HZ LYS 70 0.745 28.484 6.642 507 H HIS 71 HN HIS 71 -0.538 21.750 8.265 508 HA HIS 71 HA HIS 71 -1.377 19.183 8.451 509 1HB HIS 71 2HB HIS 71 -0.238 19.900 10.299 510 2HB HIS 71 3HB HIS 71 -1.068 21.442 10.366 511 HD1 HIS 71 HD1 HIS 71 -3.583 21.383 11.377 512 HD2 HIS 71 HD2 HIS 71 -1.257 17.943 11.969 513 HE1 HIS 71 HE1 HIS 71 -4.729 20.055 13.231 514 H GLY 72 HN GLY 72 -3.313 18.076 8.856 515 1HA GLY 72 1HA GLY 72 -5.753 19.520 9.362 516 2HA GLY 72 2HA GLY 72 -5.631 18.916 7.722 517 H GLY 73 HN GLY 73 -7.198 17.280 7.831 518 1HA GLY 73 1HA GLY 73 -6.398 14.917 9.358 519 2HA GLY 73 2HA GLY 73 -7.974 15.601 9.701 520 HA PRO 74 HA PRO 74 -9.032 12.956 6.324 521 1HB PRO 74 2HB PRO 74 -11.689 12.730 6.922 522 2HB PRO 74 3HB PRO 74 -10.463 11.670 7.589 523 1HG PRO 74 2HG PRO 74 -11.905 13.892 8.901 524 2HG PRO 74 3HG PRO 74 -11.014 12.575 9.637 525 1HD PRO 74 2HD PRO 74 -10.136 15.290 9.348 526 2HD PRO 74 3HD PRO 74 -9.202 13.948 9.978 527 H LYS 75 HN LYS 75 -10.583 15.929 7.231 528 HA LYS 75 HA LYS 75 -10.446 16.904 4.617 529 1HB LYS 75 2HB LYS 75 -12.191 15.382 4.019 530 2HB LYS 75 3HB LYS 75 -13.135 15.787 5.438 531 1HG LYS 75 2HG LYS 75 -12.440 18.146 3.777 532 2HG LYS 75 3HG LYS 75 -13.413 16.962 2.927 533 1HD LYS 75 2HD LYS 75 -15.265 17.315 4.260 534 2HD LYS 75 3HD LYS 75 -14.313 17.550 5.712 535 1HE LYS 75 2HE LYS 75 -13.637 19.753 4.069 536 2HE LYS 75 3HE LYS 75 -15.362 19.554 3.838 537 1HZ LYS 75 1HZ LYS 75 -14.407 20.877 5.842 538 2HZ LYS 75 2HZ LYS 75 -15.771 19.993 6.002 539 3HZ LYS 75 3HZ LYS 75 -14.348 19.405 6.547 540 H ASP 76 HN ASP 76 -9.771 18.876 5.305 541 HA ASP 76 HA ASP 76 -11.604 20.612 6.426 542 1HB ASP 76 2HB ASP 76 -10.345 18.985 8.375 543 2HB ASP 76 3HB ASP 76 -9.476 20.505 8.449 544 H GLU 77 HN GLU 77 -8.188 19.572 5.995 545 HA GLU 77 HA GLU 77 -7.572 22.320 5.235 546 1HB GLU 77 2HB GLU 77 -6.441 20.915 7.371 547 2HB GLU 77 3HB GLU 77 -5.256 20.708 6.097 548 1HG GLU 77 2HG GLU 77 -4.755 22.754 7.368 549 2HG GLU 77 3HG GLU 77 -5.204 23.175 5.727 550 H GLU 78 HN GLU 78 -8.382 19.530 3.917 551 HA GLU 78 HA GLU 78 -8.122 18.906 1.805 552 1HB GLU 78 2HB GLU 78 -6.854 21.158 1.448 553 2HB GLU 78 3HB GLU 78 -5.387 20.213 1.612 554 1HG GLU 78 2HG GLU 78 -7.462 19.122 -0.261 555 2HG GLU 78 3HG GLU 78 -6.659 20.594 -0.770 556 H ARG 79 HN ARG 79 -4.699 19.074 3.031 557 HA ARG 79 HA ARG 79 -3.178 17.504 3.105 558 1HB ARG 79 2HB ARG 79 -5.115 17.121 5.117 559 2HB ARG 79 3HB ARG 79 -4.839 15.502 4.507 560 1HG ARG 79 2HG ARG 79 -2.890 15.394 5.654 561 2HG ARG 79 3HG ARG 79 -2.262 16.741 4.725 562 1HD ARG 79 2HD ARG 79 -2.854 18.330 6.355 563 2HD ARG 79 3HD ARG 79 -4.165 17.356 6.988 564 HE ARG 79 HE ARG 79 -2.652 16.276 8.416 565 1HH1 ARG 79 2HH2 ARG 79 -0.868 17.964 5.896 566 2HH1 ARG 79 1HH2 ARG 79 0.678 17.681 6.623 567 1HH2 ARG 79 2HH1 ARG 79 -0.612 15.902 9.376 568 2HH2 ARG 79 1HH1 ARG 79 0.825 16.500 8.615 569 H HIS 80 HN HIS 80 -2.987 16.824 0.885 570 HA HIS 80 HA HIS 80 -3.931 14.130 0.461 571 1HB HIS 80 2HB HIS 80 -5.704 15.725 -0.413 572 2HB HIS 80 3HB HIS 80 -4.531 16.263 -1.598 573 HD1 HIS 80 HD1 HIS 80 -7.020 15.035 -2.727 574 HD2 HIS 80 HD2 HIS 80 -3.680 12.729 -1.664 575 HE1 HIS 80 HE1 HIS 80 -7.200 12.862 -4.052 576 H VAL 81 HN VAL 81 -1.362 15.546 1.017 577 HA VAL 81 HA VAL 81 0.051 14.532 -1.322 578 HB VAL 81 HB VAL 81 0.212 17.319 -0.199 579 1HG1 VAL 81 1HG1 VAL 81 2.312 16.016 -1.962 580 2HG1 VAL 81 2HG1 VAL 81 2.309 17.685 -1.344 581 3HG1 VAL 81 3HG1 VAL 81 2.499 16.320 -0.218 582 1HG2 VAL 81 1HG2 VAL 81 -0.247 18.045 -2.363 583 2HG2 VAL 81 2HG2 VAL 81 0.306 16.524 -3.103 584 3HG2 VAL 81 3HG2 VAL 81 -1.244 16.576 -2.230 585 H GLY 82 HN GLY 82 0.864 16.365 1.708 586 1HA GLY 82 1HA GLY 82 3.098 14.784 2.319 587 2HA GLY 82 2HA GLY 82 2.242 15.857 3.409 588 H ASP 83 HN ASP 83 -0.338 14.683 3.482 589 HA ASP 83 HA ASP 83 0.076 11.916 4.124 590 1HB ASP 83 2HB ASP 83 -1.320 13.463 6.270 591 2HB ASP 83 3HB ASP 83 -0.304 12.042 6.409 592 H LEU 84 HN LEU 84 -2.384 11.515 5.535 593 HA LEU 84 HA LEU 84 -4.531 12.957 4.446 594 1HB LEU 84 2HB LEU 84 -3.519 11.577 2.460 595 2HB LEU 84 3HB LEU 84 -4.357 10.235 3.213 596 HG LEU 84 HG LEU 84 -5.950 12.709 2.758 597 1HD1 LEU 84 1HD1 LEU 84 -5.745 10.937 0.389 598 2HD1 LEU 84 2HD1 LEU 84 -6.015 12.693 0.500 599 3HD1 LEU 84 3HD1 LEU 84 -4.373 12.031 0.685 600 1HD2 LEU 84 1HD2 LEU 84 -7.718 11.315 2.847 601 2HD2 LEU 84 2HD2 LEU 84 -6.904 10.040 1.909 602 3HD2 LEU 84 3HD2 LEU 84 -6.558 10.226 3.645 603 H GLY 85 HN GLY 85 -3.638 9.529 5.282 604 1HA GLY 85 1HA GLY 85 -5.689 9.674 7.412 605 2HA GLY 85 2HA GLY 85 -5.401 8.249 6.433 606 H ASN 86 HN ASN 86 -5.036 7.171 8.575 607 HA ASN 86 HA ASN 86 -2.239 7.469 9.272 608 1HB ASN 86 2HB ASN 86 -4.564 7.292 11.260 609 2HB ASN 86 3HB ASN 86 -2.881 7.119 11.717 610 1HD2 ASN 86 1HD2 ASN 86 -2.917 8.897 13.045 611 2HD2 ASN 86 2HD2 ASN 86 -2.959 10.529 12.468 612 H VAL 87 HN VAL 87 -1.249 5.420 9.501 613 HA VAL 87 HA VAL 87 -3.072 3.122 9.384 614 HB VAL 87 HB VAL 87 -1.298 1.943 8.280 615 1HG1 VAL 87 1HG1 VAL 87 -1.850 2.821 6.297 616 2HG1 VAL 87 2HG1 VAL 87 -2.675 4.115 7.199 617 3HG1 VAL 87 3HG1 VAL 87 -0.996 4.343 6.650 618 1HG2 VAL 87 1HG2 VAL 87 0.692 2.682 9.296 619 2HG2 VAL 87 2HG2 VAL 87 0.805 3.265 7.618 620 3HG2 VAL 87 3HG2 VAL 87 0.356 4.390 8.923 621 H THR 88 HN THR 88 -2.967 1.538 10.951 622 HA THR 88 HA THR 88 -1.054 2.067 13.125 623 HB THR 88 HB THR 88 -3.799 0.704 13.121 624 HG1 THR 88 1HG THR 88 -2.765 3.217 14.226 625 1HG2 THR 88 1HG2 THR 88 -2.053 0.053 14.968 626 2HG2 THR 88 2HG2 THR 88 -2.220 1.739 15.513 627 3HG2 THR 88 3HG2 THR 88 -3.636 0.660 15.510 628 H ALA 89 HN ALA 89 0.164 0.399 14.029 629 HA ALA 89 HA ALA 89 0.630 -1.770 12.180 630 1HB ALA 89 1HB ALA 89 2.051 -0.376 14.359 631 2HB ALA 89 2HB ALA 89 2.303 -2.138 14.348 632 3HB ALA 89 3HB ALA 89 2.692 -1.175 12.903 633 H ASP 90 HN ASP 90 1.003 -4.035 13.213 634 HA ASP 90 HA ASP 90 -1.446 -4.672 14.517 635 1HB ASP 90 2HB ASP 90 -0.737 -6.226 12.846 636 2HB ASP 90 3HB ASP 90 0.912 -6.247 13.437 637 H LYS 91 HN LYS 91 1.554 -6.460 15.249 638 HA LYS 91 HA LYS 91 1.661 -5.284 17.918 639 1HB LYS 91 2HB LYS 91 1.314 -7.239 19.069 640 2HB LYS 91 3HB LYS 91 0.191 -7.444 17.740 641 1HG LYS 91 2HG LYS 91 2.002 -8.726 16.491 642 2HG LYS 91 3HG LYS 91 3.003 -8.622 17.926 643 1HD LYS 91 2HD LYS 91 1.611 -10.056 19.177 644 2HD LYS 91 3HD LYS 91 0.195 -9.704 18.207 645 1HE LYS 91 2HE LYS 91 0.909 -11.112 16.419 646 2HE LYS 91 3HE LYS 91 2.577 -11.110 16.955 647 1HZ LYS 91 1HZ LYS 91 1.157 -13.124 17.461 648 2HZ LYS 91 2HZ LYS 91 2.082 -12.542 18.674 649 3HZ LYS 91 3HZ LYS 91 0.479 -12.233 18.650 650 H ASP 92 HN ASP 92 3.183 -5.533 15.148 651 HA ASP 92 HA ASP 92 5.729 -5.722 16.449 652 1HB ASP 92 2HB ASP 92 4.688 -7.922 14.942 653 2HB ASP 92 3HB ASP 92 5.901 -7.170 13.926 654 H GLY 93 HN GLY 93 3.862 -3.754 15.031 655 1HA GLY 93 1HA GLY 93 4.388 -1.859 13.846 656 2HA GLY 93 2HA GLY 93 5.852 -2.613 13.247 657 H VAL 94 HN VAL 94 3.993 -5.119 12.645 658 HA VAL 94 HA VAL 94 3.770 -4.708 9.932 659 HB VAL 94 HB VAL 94 2.076 -6.541 11.636 660 1HG1 VAL 94 1HG1 VAL 94 1.487 -7.617 9.749 661 2HG1 VAL 94 2HG1 VAL 94 1.980 -6.119 8.924 662 3HG1 VAL 94 3HG1 VAL 94 3.117 -7.482 9.046 663 1HG2 VAL 94 1HG2 VAL 94 3.934 -7.575 12.305 664 2HG2 VAL 94 2HG2 VAL 94 4.339 -7.910 10.604 665 3HG2 VAL 94 3HG2 VAL 94 4.938 -6.427 11.386 666 H ALA 95 HN ALA 95 2.832 -2.695 9.409 667 HA ALA 95 HA ALA 95 0.096 -2.265 10.322 668 1HB ALA 95 1HB ALA 95 1.786 -0.446 10.514 669 2HB ALA 95 2HB ALA 95 1.991 -0.476 8.746 670 3HB ALA 95 3HB ALA 95 0.428 0.000 9.453 671 H ASP 96 HN ASP 96 -1.582 -2.931 9.088 672 HA ASP 96 HA ASP 96 -1.001 -3.326 6.260 673 1HB ASP 96 2HB ASP 96 -2.652 -5.067 6.240 674 2HB ASP 96 3HB ASP 96 -1.687 -5.339 7.677 675 H VAL 97 HN VAL 97 -2.742 -2.665 4.730 676 HA VAL 97 HA VAL 97 -4.611 -0.740 5.932 677 HB VAL 97 HB VAL 97 -3.315 -0.592 3.205 678 1HG1 VAL 97 1HG1 VAL 97 -5.181 1.199 4.758 679 2HG1 VAL 97 2HG1 VAL 97 -4.101 1.862 3.508 680 3HG1 VAL 97 3HG1 VAL 97 -5.306 0.625 3.077 681 1HG2 VAL 97 1HG2 VAL 97 -1.476 0.230 4.157 682 2HG2 VAL 97 2HG2 VAL 97 -2.446 1.531 4.890 683 3HG2 VAL 97 3HG2 VAL 97 -2.188 0.007 5.773 684 H SER 98 HN SER 98 -6.523 -0.316 4.300 685 HA SER 98 HA SER 98 -7.185 -2.286 2.482 686 1HB SER 98 2HB SER 98 -9.030 -3.431 3.778 687 2HB SER 98 3HB SER 98 -7.412 -3.853 4.301 688 HG SER 98 HG SER 98 -9.432 -2.422 5.656 689 H ILE 99 HN ILE 99 -7.706 -0.233 1.438 690 HA ILE 99 HA ILE 99 -10.339 0.738 2.254 691 HB ILE 99 HB ILE 99 -7.957 2.486 1.622 692 1HG1 ILE 99 2HG1 ILE 99 -9.264 3.042 4.128 693 2HG1 ILE 99 3HG1 ILE 99 -8.825 1.347 4.072 694 1HG2 ILE 99 1HG2 ILE 99 -9.836 3.532 0.641 695 2HG2 ILE 99 2HG2 ILE 99 -10.881 3.135 2.026 696 3HG2 ILE 99 3HG2 ILE 99 -9.583 4.339 2.206 697 1HD1 ILE 99 1HD1 ILE 99 -6.516 2.270 3.126 698 2HD1 ILE 99 2HD1 ILE 99 -7.042 3.777 3.912 699 3HD1 ILE 99 3HD1 ILE 99 -6.843 2.294 4.875 700 H GLU 100 HN GLU 100 -11.308 2.121 0.396 701 HA GLU 100 HA GLU 100 -10.399 0.962 -2.122 702 1HB GLU 100 2HB GLU 100 -13.076 0.932 -0.844 703 2HB GLU 100 3HB GLU 100 -13.101 1.436 -2.522 704 1HG GLU 100 2HG GLU 100 -12.922 -0.734 -3.145 705 2HG GLU 100 3HG GLU 100 -11.321 -0.781 -2.435 706 H ASP 101 HN ASP 101 -9.266 2.749 -2.914 707 HA ASP 101 HA ASP 101 -10.455 5.334 -2.667 708 1HB ASP 101 2HB ASP 101 -7.971 4.412 -4.190 709 2HB ASP 101 3HB ASP 101 -8.407 6.084 -3.896 710 H SER 102 HN SER 102 -11.530 6.444 -4.363 711 HA SER 102 HA SER 102 -11.794 4.914 -6.829 712 1HB SER 102 2HB SER 102 -13.912 6.383 -7.101 713 2HB SER 102 3HB SER 102 -13.958 5.110 -5.898 714 HG SER 102 HG SER 102 -13.892 7.928 -5.556 715 H VAL 103 HN VAL 103 -10.670 7.868 -5.336 716 HA VAL 103 HA VAL 103 -10.807 9.500 -7.662 717 HB VAL 103 HB VAL 103 -9.350 9.679 -5.026 718 1HG1 VAL 103 1HG1 VAL 103 -9.349 11.627 -7.348 719 2HG1 VAL 103 2HG1 VAL 103 -8.927 12.087 -5.681 720 3HG1 VAL 103 3HG1 VAL 103 -7.951 10.874 -6.545 721 1HG2 VAL 103 1HG2 VAL 103 -11.574 10.079 -4.555 722 2HG2 VAL 103 2HG2 VAL 103 -11.011 11.725 -4.936 723 3HG2 VAL 103 3HG2 VAL 103 -11.902 10.784 -6.156 724 H ILE 104 HN ILE 104 -8.995 6.750 -6.889 725 HA ILE 104 HA ILE 104 -6.841 7.636 -8.682 726 HB ILE 104 HB ILE 104 -5.394 6.028 -7.526 727 1HG1 ILE 104 2HG1 ILE 104 -6.244 5.313 -5.183 728 2HG1 ILE 104 3HG1 ILE 104 -7.849 5.589 -5.830 729 1HG2 ILE 104 1HG2 ILE 104 -4.707 7.752 -6.315 730 2HG2 ILE 104 2HG2 ILE 104 -6.261 8.562 -6.629 731 3HG2 ILE 104 3HG2 ILE 104 -6.063 7.546 -5.181 732 1HD1 ILE 104 1HD1 ILE 104 -6.141 3.309 -6.225 733 2HD1 ILE 104 2HD1 ILE 104 -7.786 3.573 -6.851 734 3HD1 ILE 104 3HD1 ILE 104 -6.377 4.098 -7.802 735 H SER 105 HN SER 105 -5.827 5.701 -9.890 736 HA SER 105 HA SER 105 -7.544 3.472 -10.238 737 1HB SER 105 2HB SER 105 -8.627 5.330 -11.627 738 2HB SER 105 3HB SER 105 -7.191 5.325 -12.631 739 HG SER 105 HG SER 105 -8.981 3.091 -12.179 740 H LEU 106 HN LEU 106 -6.583 1.943 -11.964 741 HA LEU 106 HA LEU 106 -3.769 1.866 -11.587 742 1HB LEU 106 2HB LEU 106 -5.767 0.177 -13.067 743 2HB LEU 106 3HB LEU 106 -4.045 -0.118 -13.207 744 HG LEU 106 HG LEU 106 -5.280 -1.535 -11.530 745 1HD1 LEU 106 1HD1 LEU 106 -3.449 -1.706 -10.114 746 2HD1 LEU 106 2HD1 LEU 106 -2.757 -0.951 -11.570 747 3HD1 LEU 106 3HD1 LEU 106 -3.129 0.045 -10.143 748 1HD2 LEU 106 1HD2 LEU 106 -5.278 0.939 -9.792 749 2HD2 LEU 106 2HD2 LEU 106 -6.705 0.375 -10.693 750 3HD2 LEU 106 3HD2 LEU 106 -5.978 -0.659 -9.441 751 H SER 107 HN SER 107 -5.990 2.676 -14.303 752 HA SER 107 HA SER 107 -3.750 4.026 -15.525 753 1HB SER 107 2HB SER 107 -4.587 1.520 -16.463 754 2HB SER 107 3HB SER 107 -5.403 2.641 -17.533 755 HG SER 107 HG SER 107 -3.217 3.703 -17.776 756 H GLY 108 HN GLY 108 -4.520 5.582 -17.274 757 1HA GLY 108 1HA GLY 108 -6.671 6.401 -18.291 758 2HA GLY 108 2HA GLY 108 -7.258 6.500 -16.642 759 H ASP 109 HN ASP 109 -6.696 8.252 -15.327 760 HA ASP 109 HA ASP 109 -4.863 10.143 -16.581 761 1HB ASP 109 2HB ASP 109 -7.618 10.449 -15.613 762 2HB ASP 109 3HB ASP 109 -6.544 11.567 -14.795 763 H HIS 110 HN HIS 110 -6.359 8.845 -13.549 764 HA HIS 110 HA HIS 110 -4.108 9.944 -12.045 765 1HB HIS 110 2HB HIS 110 -6.942 9.268 -11.373 766 2HB HIS 110 3HB HIS 110 -5.739 9.100 -10.110 767 HD1 HIS 110 HD1 HIS 110 -7.346 11.707 -12.342 768 HD2 HIS 110 HD2 HIS 110 -4.767 11.498 -9.040 769 HE1 HIS 110 HE1 HIS 110 -7.111 14.092 -11.467 770 H SER 111 HN SER 111 -2.873 8.135 -13.258 771 HA SER 111 HA SER 111 -3.436 5.486 -12.609 772 1HB SER 111 2HB SER 111 -1.255 4.991 -13.575 773 2HB SER 111 3HB SER 111 -2.028 6.233 -14.539 774 HG SER 111 HG SER 111 -0.261 7.386 -14.211 775 H ILE 112 HN ILE 112 -2.696 4.143 -10.925 776 HA ILE 112 HA ILE 112 -1.648 5.553 -8.632 777 HB ILE 112 HB ILE 112 -2.152 3.531 -7.424 778 1HG1 ILE 112 2HG1 ILE 112 -3.464 1.779 -9.038 779 2HG1 ILE 112 3HG1 ILE 112 -2.216 2.336 -10.136 780 1HG2 ILE 112 1HG2 ILE 112 -4.654 3.427 -8.761 781 2HG2 ILE 112 2HG2 ILE 112 -4.216 4.324 -7.287 782 3HG2 ILE 112 3HG2 ILE 112 -4.049 5.096 -8.882 783 1HD1 ILE 112 1HD1 ILE 112 -1.764 0.309 -8.458 784 2HD1 ILE 112 2HD1 ILE 112 -0.479 1.481 -8.835 785 3HD1 ILE 112 3HD1 ILE 112 -1.401 1.629 -7.320 786 H ILE 113 HN ILE 113 -0.472 3.741 -11.334 787 HA ILE 113 HA ILE 113 1.748 2.536 -10.077 788 HB ILE 113 HB ILE 113 1.329 3.310 -12.966 789 1HG1 ILE 113 2HG1 ILE 113 -0.478 1.879 -11.903 790 2HG1 ILE 113 3HG1 ILE 113 0.303 1.225 -13.329 791 1HG2 ILE 113 1HG2 ILE 113 3.552 2.789 -12.939 792 2HG2 ILE 113 2HG2 ILE 113 3.403 1.706 -11.535 793 3HG2 ILE 113 3HG2 ILE 113 2.863 1.160 -13.140 794 1HD1 ILE 113 1HD1 ILE 113 -0.021 -0.329 -11.241 795 2HD1 ILE 113 2HD1 ILE 113 1.539 -0.368 -12.097 796 3HD1 ILE 113 3HD1 ILE 113 1.379 0.547 -10.578 797 H GLY 114 HN GLY 114 3.240 3.684 -8.961 798 1HA GLY 114 1HA GLY 114 5.249 5.036 -9.463 799 2HA GLY 114 2HA GLY 114 4.171 6.215 -10.183 800 H ARG 115 HN ARG 115 2.415 4.878 -7.663 801 HA ARG 115 HA ARG 115 2.927 7.190 -6.071 802 1HB ARG 115 2HB ARG 115 1.005 4.862 -5.567 803 2HB ARG 115 3HB ARG 115 0.975 6.410 -4.746 804 1HG ARG 115 2HG ARG 115 0.896 6.576 -7.725 805 2HG ARG 115 3HG ARG 115 -0.503 5.812 -6.996 806 1HD ARG 115 2HD ARG 115 0.565 8.468 -5.954 807 2HD ARG 115 3HD ARG 115 -0.552 8.405 -7.303 808 HE ARG 115 HE ARG 115 -1.751 6.806 -5.359 809 1HH1 ARG 115 2HH2 ARG 115 -0.610 10.132 -5.490 810 2HH1 ARG 115 1HH2 ARG 115 -1.766 10.709 -4.336 811 1HH2 ARG 115 2HH1 ARG 115 -3.277 7.567 -3.836 812 2HH2 ARG 115 1HH1 ARG 115 -3.293 9.240 -3.389 813 H THR 116 HN THR 116 5.257 6.303 -5.685 814 HA THR 116 HA THR 116 5.951 4.069 -4.362 815 HB THR 116 HB THR 116 7.005 6.704 -4.843 816 HG1 THR 116 1HG THR 116 8.966 5.333 -4.457 817 1HG2 THR 116 1HG2 THR 116 8.535 6.760 -2.795 818 2HG2 THR 116 2HG2 THR 116 6.857 7.247 -2.458 819 3HG2 THR 116 3HG2 THR 116 7.418 5.618 -2.010 820 H LEU 117 HN LEU 117 4.786 3.036 -2.839 821 HA LEU 117 HA LEU 117 3.482 4.542 -0.776 822 1HB LEU 117 2HB LEU 117 2.340 2.663 -1.646 823 2HB LEU 117 3HB LEU 117 3.728 1.614 -1.432 824 HG LEU 117 HG LEU 117 2.400 2.896 0.949 825 1HD1 LEU 117 1HD1 LEU 117 1.192 0.970 -0.848 826 2HD1 LEU 117 2HD1 LEU 117 1.400 0.292 0.785 827 3HD1 LEU 117 3HD1 LEU 117 0.501 1.811 0.560 828 1HD2 LEU 117 1HD2 LEU 117 4.591 1.114 0.547 829 2HD2 LEU 117 2HD2 LEU 117 3.935 1.758 2.071 830 3HD2 LEU 117 3HD2 LEU 117 3.301 0.235 1.403 831 H VAL 118 HN VAL 118 4.490 5.314 0.992 832 HA VAL 118 HA VAL 118 6.605 3.656 2.146 833 HB VAL 118 HB VAL 118 7.930 5.165 1.017 834 1HG1 VAL 118 1HG1 VAL 118 7.366 7.702 1.076 835 2HG1 VAL 118 2HG1 VAL 118 6.458 6.644 -0.030 836 3HG1 VAL 118 3HG1 VAL 118 5.725 7.163 1.506 837 1HG2 VAL 118 1HG2 VAL 118 8.979 6.505 2.654 838 2HG2 VAL 118 2HG2 VAL 118 7.458 6.762 3.542 839 3HG2 VAL 118 3HG2 VAL 118 8.239 5.163 3.559 840 H VAL 119 HN VAL 119 6.326 3.361 4.308 841 HA VAL 119 HA VAL 119 4.052 4.579 5.532 842 HB VAL 119 HB VAL 119 4.930 3.257 7.524 843 1HG1 VAL 119 1HG1 VAL 119 4.586 1.368 5.238 844 2HG1 VAL 119 2HG1 VAL 119 3.762 1.425 6.815 845 3HG1 VAL 119 3HG1 VAL 119 3.295 2.559 5.525 846 1HG2 VAL 119 1HG2 VAL 119 6.853 2.091 7.443 847 2HG2 VAL 119 2HG2 VAL 119 6.588 1.580 5.759 848 3HG2 VAL 119 3HG2 VAL 119 7.280 3.183 6.104 849 H HIS 120 HN HIS 120 4.061 5.940 7.431 850 HA HIS 120 HA HIS 120 6.262 7.793 7.348 851 1HB HIS 120 2HB HIS 120 3.458 7.811 8.170 852 2HB HIS 120 3HB HIS 120 4.492 8.603 9.343 853 HD1 HIS 120 HD1 HIS 120 6.243 10.458 8.145 854 HD2 HIS 120 HD2 HIS 120 2.701 9.460 6.131 855 HE1 HIS 120 HE1 HIS 120 5.822 12.333 6.466 856 H GLU 121 HN GLU 121 7.935 7.883 8.781 857 HA GLU 121 HA GLU 121 8.664 5.883 10.335 858 1HB GLU 121 2HB GLU 121 9.745 8.261 9.822 859 2HB GLU 121 3HB GLU 121 9.129 8.666 11.412 860 1HG GLU 121 2HG GLU 121 10.624 6.068 11.146 861 2HG GLU 121 3HG GLU 121 11.565 7.542 11.041 862 H LYS 122 HN LYS 122 6.694 8.708 11.495 863 HA LYS 122 HA LYS 122 5.563 6.938 13.516 864 1HB LYS 122 2HB LYS 122 7.582 8.393 14.356 865 2HB LYS 122 3HB LYS 122 6.418 9.701 14.335 866 1HG LYS 122 2HG LYS 122 5.184 7.369 15.549 867 2HG LYS 122 3HG LYS 122 6.730 7.656 16.321 868 1HD LYS 122 2HD LYS 122 6.016 10.135 16.521 869 2HD LYS 122 3HD LYS 122 4.412 9.616 16.044 870 1HE LYS 122 2HE LYS 122 4.203 8.168 17.987 871 2HE LYS 122 3HE LYS 122 5.901 8.347 18.385 872 1HZ LYS 122 1HZ LYS 122 5.479 10.702 18.755 873 2HZ LYS 122 2HZ LYS 122 3.889 10.488 18.449 874 3HZ LYS 122 3HZ LYS 122 4.576 9.768 19.744 875 H ALA 123 HN ALA 123 3.531 7.905 14.473 876 HA ALA 123 HA ALA 123 1.745 8.566 12.534 877 1HB ALA 123 1HB ALA 123 0.236 8.959 14.302 878 2HB ALA 123 2HB ALA 123 1.446 7.869 15.019 879 3HB ALA 123 3HB ALA 123 1.505 9.614 15.364 880 H ASP 124 HN ASP 124 0.866 10.475 11.659 881 HA ASP 124 HA ASP 124 1.934 12.966 12.590 882 1HB ASP 124 2HB ASP 124 2.472 13.560 10.098 883 2HB ASP 124 3HB ASP 124 3.648 12.637 11.012 884 H ASP 125 HN ASP 125 -0.347 13.374 13.072 885 HA ASP 125 HA ASP 125 -1.753 14.600 11.068 886 1HB ASP 125 2HB ASP 125 -2.063 11.765 10.976 887 2HB ASP 125 3HB ASP 125 -3.541 12.375 11.694 888 H LEU 126 HN LEU 126 -1.860 12.567 14.045 889 HA LEU 126 HA LEU 126 -4.133 13.279 15.253 890 1HB LEU 126 2HB LEU 126 -1.400 13.151 16.534 891 2HB LEU 126 3HB LEU 126 -2.927 13.075 17.391 892 HG LEU 126 HG LEU 126 -2.720 10.860 17.242 893 1HD1 LEU 126 1HD1 LEU 126 -3.226 11.196 14.275 894 2HD1 LEU 126 2HD1 LEU 126 -3.624 9.792 15.293 895 3HD1 LEU 126 3HD1 LEU 126 -4.474 11.336 15.536 896 1HD2 LEU 126 1HD2 LEU 126 -0.310 11.504 16.210 897 2HD2 LEU 126 2HD2 LEU 126 -0.888 9.833 16.420 898 3HD2 LEU 126 3HD2 LEU 126 -1.015 10.626 14.831 899 H GLY 127 HN GLY 127 -1.089 15.259 15.333 900 1HA GLY 127 1HA GLY 127 -1.260 17.616 14.932 901 2HA GLY 127 2HA GLY 127 -2.804 17.626 15.761 902 H LYS 128 HN LYS 128 0.612 16.535 16.403 903 HA LYS 128 HA LYS 128 0.460 16.672 19.153 904 1HB LYS 128 2HB LYS 128 2.655 16.138 19.090 905 2HB LYS 128 3HB LYS 128 2.312 15.845 17.397 906 1HG LYS 128 2HG LYS 128 2.937 18.321 16.981 907 2HG LYS 128 3HG LYS 128 3.543 18.349 18.624 908 1HD LYS 128 2HD LYS 128 4.894 16.194 17.906 909 2HD LYS 128 3HD LYS 128 4.558 16.725 16.270 910 1HE LYS 128 2HE LYS 128 6.706 17.660 16.915 911 2HE LYS 128 3HE LYS 128 5.559 18.982 16.843 912 1HZ LYS 128 1HZ LYS 128 6.919 18.986 18.848 913 2HZ LYS 128 2HZ LYS 128 5.327 18.888 19.199 914 3HZ LYS 128 3HZ LYS 128 6.272 17.561 19.314 915 H GLY 129 HN GLY 129 0.420 19.216 16.778 916 1HA GLY 129 1HA GLY 129 -0.343 21.255 18.325 917 2HA GLY 129 2HA GLY 129 1.386 21.252 18.611 918 H GLY 130 HN GLY 130 1.790 20.061 15.769 919 1HA GLY 130 1HA GLY 130 2.284 20.848 13.725 920 2HA GLY 130 2HA GLY 130 0.810 21.790 13.824 921 H ASN 131 HN ASN 131 4.318 21.816 14.113 922 HA ASN 131 HA ASN 131 4.236 24.671 13.990 923 1HB ASN 131 2HB ASN 131 5.826 23.281 16.210 924 2HB ASN 131 3HB ASN 131 5.775 25.007 15.909 925 1HD2 ASN 131 1HD2 ASN 131 4.393 22.389 17.516 926 2HD2 ASN 131 2HD2 ASN 131 2.977 23.146 18.165 927 H GLU 132 HN GLU 132 5.472 24.776 12.087 928 HA GLU 132 HA GLU 132 6.974 24.187 10.578 929 1HB GLU 132 2HB GLU 132 8.641 24.838 13.037 930 2HB GLU 132 3HB GLU 132 9.369 24.603 11.460 931 1HG GLU 132 2HG GLU 132 8.999 26.857 11.235 932 2HG GLU 132 3HG GLU 132 7.388 26.349 10.769 933 H GLN 133 HN GLN 133 5.854 21.843 11.957 934 HA GLN 133 HA GLN 133 7.833 19.994 11.130 935 1HB GLN 133 2HB GLN 133 8.128 20.738 13.749 936 2HB GLN 133 3HB GLN 133 7.000 19.410 13.936 937 1HG GLN 133 2HG GLN 133 8.899 18.122 13.915 938 2HG GLN 133 3HG GLN 133 8.745 18.262 12.175 939 1HE2 GLN 133 1HE2 GLN 133 10.845 18.468 14.631 940 2HE2 GLN 133 2HE2 GLN 133 12.018 19.581 14.011 941 H SER 134 HN SER 134 4.941 20.205 13.337 942 HA SER 134 HA SER 134 3.850 17.917 11.971 943 1HB SER 134 2HB SER 134 3.327 19.360 14.542 944 2HB SER 134 3HB SER 134 1.941 18.588 13.798 945 HG SER 134 HG SER 134 4.395 17.123 14.065 946 H THR 135 HN THR 135 3.671 21.403 11.986 947 HA THR 135 HA THR 135 1.002 21.710 11.115 948 HB THR 135 HB THR 135 2.667 23.427 12.146 949 HG1 THR 135 1HG THR 135 1.366 24.073 9.600 950 1HG2 THR 135 1HG2 THR 135 4.457 23.001 10.328 951 2HG2 THR 135 2HG2 THR 135 3.352 23.814 9.193 952 3HG2 THR 135 3HG2 THR 135 4.011 24.705 10.586 953 H LYS 136 HN LYS 136 3.928 20.626 9.522 954 HA LYS 136 HA LYS 136 2.569 20.945 6.941 955 1HB LYS 136 2HB LYS 136 5.428 21.020 7.792 956 2HB LYS 136 3HB LYS 136 5.076 20.315 6.227 957 1HG LYS 136 2HG LYS 136 3.631 22.434 5.781 958 2HG LYS 136 3HG LYS 136 4.404 23.123 7.195 959 1HD LYS 136 2HD LYS 136 6.282 23.600 6.016 960 2HD LYS 136 3HD LYS 136 6.440 21.933 5.500 961 1HE LYS 136 2HE LYS 136 4.819 22.338 3.647 962 2HE LYS 136 3HE LYS 136 4.615 23.997 4.174 963 1HZ LYS 136 1HZ LYS 136 7.026 24.267 3.827 964 2HZ LYS 136 2HZ LYS 136 7.087 22.773 3.171 965 3HZ LYS 136 3HZ LYS 136 6.205 23.945 2.453 966 H THR 137 HN THR 137 4.001 18.684 9.286 967 HA THR 137 HA THR 137 2.790 16.502 7.754 968 HB THR 137 HB THR 137 4.868 15.165 8.054 969 HG1 THR 137 1HG THR 137 6.647 16.274 9.093 970 1HG2 THR 137 1HG2 THR 137 4.828 16.554 5.987 971 2HG2 THR 137 2HG2 THR 137 5.443 17.948 6.906 972 3HG2 THR 137 3HG2 THR 137 6.471 16.514 6.669 973 H GLY 138 HN GLY 138 4.941 15.867 10.446 974 1HA GLY 138 1HA GLY 138 3.057 16.168 12.538 975 2HA GLY 138 2HA GLY 138 3.011 14.526 11.929 976 H ASN 139 HN ASN 139 5.811 16.818 12.163 977 HA ASN 139 HA ASN 139 7.826 16.496 12.938 978 1HB ASN 139 2HB ASN 139 6.489 17.065 15.028 979 2HB ASN 139 3HB ASN 139 6.345 15.351 15.364 980 1HD2 ASN 139 1HD2 ASN 139 7.393 15.891 17.364 981 2HD2 ASN 139 2HD2 ASN 139 9.120 15.994 17.460 982 H ALA 140 HN ALA 140 6.662 14.188 11.430 983 HA ALA 140 HA ALA 140 8.594 12.219 12.190 984 1HB ALA 140 1HB ALA 140 5.617 11.643 12.467 985 2HB ALA 140 2HB ALA 140 6.888 10.397 12.448 986 3HB ALA 140 3HB ALA 140 6.841 11.601 13.758 987 H GLY 141 HN GLY 141 8.344 13.903 9.945 988 1HA GLY 141 1HA GLY 141 7.234 12.129 7.863 989 2HA GLY 141 2HA GLY 141 7.500 13.855 7.717 990 H SER 142 HN SER 142 8.851 10.695 7.271 991 HA SER 142 HA SER 142 11.088 11.835 5.968 992 1HB SER 142 2HB SER 142 11.662 11.645 8.538 993 2HB SER 142 3HB SER 142 11.812 9.930 8.210 994 HG SER 142 HG SER 142 13.529 10.292 6.824 995 H ARG 143 HN ARG 143 10.400 10.692 4.120 996 HA ARG 143 HA ARG 143 9.314 8.273 3.978 997 1HB ARG 143 2HB ARG 143 11.379 9.542 2.118 998 2HB ARG 143 3HB ARG 143 10.502 8.086 1.689 999 1HG ARG 143 2HG ARG 143 9.074 9.665 0.760 1000 2HG ARG 143 3HG ARG 143 8.366 9.554 2.360 1001 1HD ARG 143 2HD ARG 143 10.600 11.498 2.222 1002 2HD ARG 143 3HD ARG 143 9.277 11.902 1.146 1003 HE ARG 143 HE ARG 143 7.922 11.326 3.445 1004 1HH1 ARG 143 2HH2 ARG 143 10.753 13.331 2.855 1005 2HH1 ARG 143 1HH2 ARG 143 10.419 14.413 4.166 1006 1HH2 ARG 143 2HH1 ARG 143 7.481 12.752 5.175 1007 2HH2 ARG 143 1HH1 ARG 143 8.545 14.081 5.495 1008 H LEU 144 HN LEU 144 9.935 6.137 4.309 1009 HA LEU 144 HA LEU 144 12.813 5.672 4.678 1010 1HB LEU 144 2HB LEU 144 10.484 4.539 6.231 1011 2HB LEU 144 3HB LEU 144 12.124 3.930 6.334 1012 HG LEU 144 HG LEU 144 12.220 6.752 6.775 1013 1HD1 LEU 144 1HD1 LEU 144 10.489 5.613 8.907 1014 2HD1 LEU 144 2HD1 LEU 144 10.625 7.279 8.297 1015 3HD1 LEU 144 3HD1 LEU 144 9.703 6.068 7.376 1016 1HD2 LEU 144 1HD2 LEU 144 13.177 6.095 8.918 1017 2HD2 LEU 144 2HD2 LEU 144 12.593 4.430 8.686 1018 3HD2 LEU 144 3HD2 LEU 144 13.832 5.098 7.596 1019 H ALA 145 HN ALA 145 9.740 3.764 4.291 1020 HA ALA 145 HA ALA 145 11.126 1.849 2.677 1021 1HB ALA 145 1HB ALA 145 8.141 1.933 2.828 1022 2HB ALA 145 2HB ALA 145 9.256 0.558 3.009 1023 3HB ALA 145 3HB ALA 145 9.024 1.699 4.355 1024 H CYS 146 HN CYS 146 9.811 1.164 0.535 1025 HA CYS 146 HA CYS 146 8.788 3.420 -0.896 1026 1HB CYS 146 2HB CYS 146 10.974 4.037 -1.348 1027 2HB CYS 146 3HB CYS 146 11.548 2.383 -1.422 1028 H GLY 147 HN GLY 147 7.046 1.690 -0.623 1029 1HA GLY 147 1HA GLY 147 7.436 -0.737 -2.186 1030 2HA GLY 147 2HA GLY 147 6.056 -0.311 -1.194 1031 H VAL 148 HN VAL 148 7.791 0.767 -4.200 1032 HA VAL 148 HA VAL 148 5.692 2.252 -5.242 1033 HB VAL 148 HB VAL 148 8.127 0.894 -6.315 1034 1HG1 VAL 148 1HG1 VAL 148 6.004 2.207 -8.046 1035 2HG1 VAL 148 2HG1 VAL 148 7.638 1.750 -8.584 1036 3HG1 VAL 148 3HG1 VAL 148 6.485 0.494 -8.073 1037 1HG2 VAL 148 1HG2 VAL 148 8.511 3.330 -7.070 1038 2HG2 VAL 148 2HG2 VAL 148 7.135 3.731 -6.015 1039 3HG2 VAL 148 3HG2 VAL 148 8.591 2.973 -5.328 1040 H ILE 149 HN ILE 149 3.682 1.651 -5.844 1041 HA ILE 149 HA ILE 149 3.013 -1.099 -6.031 1042 HB ILE 149 HB ILE 149 1.412 1.357 -6.755 1043 1HG1 ILE 149 2HG1 ILE 149 0.645 0.207 -4.256 1044 2HG1 ILE 149 3HG1 ILE 149 2.378 0.460 -4.215 1045 1HG2 ILE 149 1HG2 ILE 149 0.570 -0.802 -7.683 1046 2HG2 ILE 149 2HG2 ILE 149 0.439 -1.414 -6.016 1047 3HG2 ILE 149 3HG2 ILE 149 -0.539 -0.018 -6.532 1048 1HD1 ILE 149 1HD1 ILE 149 1.895 2.827 -5.169 1049 2HD1 ILE 149 2HD1 ILE 149 0.198 2.513 -4.734 1050 3HD1 ILE 149 3HD1 ILE 149 1.452 2.526 -3.471 1051 H GLY 150 HN GLY 150 2.797 -2.422 -7.798 1052 1HA GLY 150 1HA GLY 150 2.882 -1.224 -10.465 1053 2HA GLY 150 2HA GLY 150 4.200 -2.288 -10.018 1054 H ILE 151 HN ILE 151 1.528 -2.331 -11.817 1055 HA ILE 151 HA ILE 151 -0.193 -4.238 -11.006 1056 HB ILE 151 HB ILE 151 0.973 -3.623 -13.707 1057 1HG1 ILE 151 2HG1 ILE 151 -0.428 -1.911 -12.638 1058 2HG1 ILE 151 3HG1 ILE 151 -1.164 -2.551 -14.094 1059 1HG2 ILE 151 1HG2 ILE 151 0.383 -5.881 -13.995 1060 2HG2 ILE 151 2HG2 ILE 151 -1.084 -5.717 -13.001 1061 3HG2 ILE 151 3HG2 ILE 151 -1.007 -4.952 -14.606 1062 1HD1 ILE 151 1HD1 ILE 151 -3.004 -2.715 -12.714 1063 2HD1 ILE 151 2HD1 ILE 151 -2.251 -4.271 -12.292 1064 3HD1 ILE 151 3HD1 ILE 151 -2.015 -2.855 -11.241 1065 H ALA 152 HN ALA 152 -0.376 -6.581 -11.416 1066 HA ALA 152 HA ALA 152 2.270 -7.850 -11.236 1067 1HB ALA 152 1HB ALA 152 0.214 -7.839 -9.379 1068 2HB ALA 152 2HB ALA 152 -0.055 -9.368 -10.252 1069 3HB ALA 152 3HB ALA 152 1.514 -9.051 -9.474 1070 H GLN 153 HN GLN 153 1.958 -10.361 -11.864 1071 HA GLN 153 HA GLN 153 0.278 -10.437 -14.238 1072 1HB GLN 153 2HB GLN 153 2.651 -9.931 -14.886 1073 2HB GLN 153 3HB GLN 153 3.165 -11.418 -14.113 1074 1HG GLN 153 2HG GLN 153 1.562 -12.680 -15.647 1075 2HG GLN 153 3HG GLN 153 1.260 -11.172 -16.487 1076 1HE2 GLN 153 1HE2 GLN 153 2.347 -13.530 -17.607 1077 2HE2 GLN 153 2HE2 GLN 153 3.950 -13.201 -18.175 Start of MODEL 9 1 1H ALA 1 HN ALA 1 -8.447 -2.243 -11.587 2 HA ALA 1 HA ALA 1 -9.311 -3.429 -13.362 3 1HB ALA 1 1HB ALA 1 -7.930 -2.917 -15.654 4 2HB ALA 1 2HB ALA 1 -9.409 -2.049 -15.177 5 3HB ALA 1 3HB ALA 1 -7.813 -1.334 -14.850 6 H THR 2 HN THR 2 -5.918 -2.662 -12.678 7 HA THR 2 HA THR 2 -5.243 -5.473 -13.251 8 HB THR 2 HB THR 2 -3.450 -2.988 -13.198 9 HG1 THR 2 1HG THR 2 -4.619 -4.686 -15.291 10 1HG2 THR 2 1HG2 THR 2 -2.011 -4.879 -12.887 11 2HG2 THR 2 2HG2 THR 2 -3.032 -5.924 -13.904 12 3HG2 THR 2 3HG2 THR 2 -2.038 -4.651 -14.652 13 H LYS 3 HN LYS 3 -3.226 -6.151 -11.838 14 HA LYS 3 HA LYS 3 -3.933 -5.394 -9.089 15 1HB LYS 3 2HB LYS 3 -4.573 -7.638 -9.355 16 2HB LYS 3 3HB LYS 3 -3.163 -8.036 -10.317 17 1HG LYS 3 2HG LYS 3 -2.258 -7.002 -7.768 18 2HG LYS 3 3HG LYS 3 -3.475 -8.225 -7.463 19 1HD LYS 3 2HD LYS 3 -2.207 -9.745 -9.102 20 2HD LYS 3 3HD LYS 3 -0.929 -8.547 -9.112 21 1HE LYS 3 2HE LYS 3 -0.528 -8.825 -6.728 22 2HE LYS 3 3HE LYS 3 -1.982 -9.782 -6.530 23 1HZ LYS 3 1HZ LYS 3 -0.144 -11.229 -6.654 24 2HZ LYS 3 2HZ LYS 3 -0.964 -11.409 -8.055 25 3HZ LYS 3 3HZ LYS 3 0.424 -10.548 -8.026 26 H ALA 4 HN ALA 4 -2.486 -3.708 -8.752 27 HA ALA 4 HA ALA 4 0.268 -4.066 -9.542 28 1HB ALA 4 1HB ALA 4 -1.145 -1.841 -8.014 29 2HB ALA 4 2HB ALA 4 0.509 -1.773 -8.670 30 3HB ALA 4 3HB ALA 4 -0.882 -1.888 -9.774 31 H VAL 5 HN VAL 5 2.064 -3.939 -7.988 32 HA VAL 5 HA VAL 5 1.282 -4.766 -5.287 33 HB VAL 5 HB VAL 5 3.550 -5.992 -6.856 34 1HG1 VAL 5 1HG1 VAL 5 3.263 -7.780 -5.060 35 2HG1 VAL 5 2HG1 VAL 5 3.933 -6.219 -4.527 36 3HG1 VAL 5 3HG1 VAL 5 2.227 -6.613 -4.204 37 1HG2 VAL 5 1HG2 VAL 5 2.230 -7.766 -7.544 38 2HG2 VAL 5 2HG2 VAL 5 0.987 -7.464 -6.306 39 3HG2 VAL 5 3HG2 VAL 5 1.107 -6.397 -7.726 40 H ALA 6 HN ALA 6 2.950 -4.305 -3.646 41 HA ALA 6 HA ALA 6 5.152 -2.642 -4.456 42 1HB ALA 6 1HB ALA 6 4.060 -0.960 -2.585 43 2HB ALA 6 2HB ALA 6 3.914 -0.739 -4.345 44 3HB ALA 6 3HB ALA 6 2.603 -1.527 -3.436 45 H VAL 7 HN VAL 7 6.407 -4.309 -3.487 46 HA VAL 7 HA VAL 7 5.849 -4.996 -0.740 47 HB VAL 7 HB VAL 7 6.534 -6.703 -2.315 48 1HG1 VAL 7 1HG1 VAL 7 9.330 -6.065 -2.620 49 2HG1 VAL 7 2HG1 VAL 7 8.103 -6.390 -3.868 50 3HG1 VAL 7 3HG1 VAL 7 8.332 -4.735 -3.256 51 1HG2 VAL 7 1HG2 VAL 7 8.862 -7.240 -1.009 52 2HG2 VAL 7 2HG2 VAL 7 8.130 -6.048 0.091 53 3HG2 VAL 7 3HG2 VAL 7 7.241 -7.531 -0.333 54 H LEU 8 HN LEU 8 6.365 -3.538 0.814 55 HA LEU 8 HA LEU 8 8.118 -1.433 0.475 56 1HB LEU 8 2HB LEU 8 7.097 -2.844 2.935 57 2HB LEU 8 3HB LEU 8 8.100 -1.409 3.014 58 HG LEU 8 HG LEU 8 5.422 -1.346 3.057 59 1HD1 LEU 8 1HD1 LEU 8 7.152 0.753 1.721 60 2HD1 LEU 8 2HD1 LEU 8 5.554 1.013 2.461 61 3HD1 LEU 8 3HD1 LEU 8 6.938 0.537 3.475 62 1HD2 LEU 8 1HD2 LEU 8 4.913 -2.247 0.949 63 2HD2 LEU 8 2HD2 LEU 8 4.696 -0.490 0.764 64 3HD2 LEU 8 3HD2 LEU 8 6.162 -1.277 0.132 65 H LYS 9 HN LYS 9 10.307 -1.102 0.811 66 HA LYS 9 HA LYS 9 11.942 -2.895 2.198 67 1HB LYS 9 2HB LYS 9 11.434 -4.402 0.308 68 2HB LYS 9 3HB LYS 9 12.050 -3.209 -0.817 69 1HG LYS 9 2HG LYS 9 14.258 -3.283 0.545 70 2HG LYS 9 3HG LYS 9 13.606 -4.708 1.330 71 1HD LYS 9 2HD LYS 9 14.097 -6.018 -0.460 72 2HD LYS 9 3HD LYS 9 13.269 -4.934 -1.560 73 1HE LYS 9 2HE LYS 9 15.345 -3.417 -1.456 74 2HE LYS 9 3HE LYS 9 16.153 -4.706 -0.587 75 1HZ LYS 9 1HZ LYS 9 15.943 -6.115 -2.420 76 2HZ LYS 9 2HZ LYS 9 14.868 -5.152 -3.184 77 3HZ LYS 9 3HZ LYS 9 16.428 -4.688 -3.049 78 H GLY 10 HN GLY 10 13.395 -1.492 3.010 79 1HA GLY 10 1HA GLY 10 15.004 0.133 1.323 80 2HA GLY 10 2HA GLY 10 13.772 1.097 2.112 81 H ASP 11 HN ASP 11 13.665 1.143 4.493 82 HA ASP 11 HA ASP 11 15.954 1.655 5.709 83 1HB ASP 11 2HB ASP 11 13.654 1.956 6.671 84 2HB ASP 11 3HB ASP 11 13.572 0.235 6.993 85 H GLY 12 HN GLY 12 14.339 -1.563 5.385 86 1HA GLY 12 1HA GLY 12 16.083 -3.358 5.041 87 2HA GLY 12 2HA GLY 12 16.708 -2.847 6.597 88 HA PRO 13 HA PRO 13 13.604 -5.091 8.662 89 1HB PRO 13 2HB PRO 13 12.525 -3.451 10.563 90 2HB PRO 13 3HB PRO 13 14.086 -4.226 10.741 91 1HG PRO 13 2HG PRO 13 13.481 -1.400 10.122 92 2HG PRO 13 3HG PRO 13 14.974 -2.098 10.716 93 1HD PRO 13 2HD PRO 13 14.423 -1.252 8.031 94 2HD PRO 13 3HD PRO 13 15.873 -2.055 8.600 95 H VAL 14 HN VAL 14 12.391 -2.057 7.477 96 HA VAL 14 HA VAL 14 9.672 -2.852 7.648 97 HB VAL 14 HB VAL 14 11.247 -0.620 6.447 98 1HG1 VAL 14 1HG1 VAL 14 8.491 -1.462 5.581 99 2HG1 VAL 14 2HG1 VAL 14 8.920 0.264 5.641 100 3HG1 VAL 14 3HG1 VAL 14 9.849 -0.849 4.608 101 1HG2 VAL 14 1HG2 VAL 14 9.432 -1.073 8.696 102 2HG2 VAL 14 2HG2 VAL 14 10.637 0.212 8.436 103 3HG2 VAL 14 3HG2 VAL 14 9.003 0.372 7.749 104 H GLN 15 HN GLN 15 9.177 -4.777 6.636 105 HA GLN 15 HA GLN 15 9.816 -4.830 3.789 106 1HB GLN 15 2HB GLN 15 11.024 -6.535 5.337 107 2HB GLN 15 3HB GLN 15 9.465 -7.321 5.493 108 1HG GLN 15 2HG GLN 15 9.595 -7.001 2.758 109 2HG GLN 15 3HG GLN 15 11.296 -7.188 3.139 110 1HE2 GLN 15 1HE2 GLN 15 8.171 -8.559 4.178 111 2HE2 GLN 15 2HE2 GLN 15 8.637 -10.226 4.131 112 H GLY 16 HN GLY 16 7.512 -3.537 4.755 113 1HA GLY 16 1HA GLY 16 5.235 -5.088 5.091 114 2HA GLY 16 2HA GLY 16 5.290 -3.463 4.435 115 H ILE 17 HN ILE 17 3.402 -5.352 3.512 116 HA ILE 17 HA ILE 17 4.299 -5.598 0.748 117 HB ILE 17 HB ILE 17 3.030 -7.836 2.331 118 1HG1 ILE 17 2HG1 ILE 17 5.755 -7.778 1.013 119 2HG1 ILE 17 3HG1 ILE 17 5.501 -7.383 2.702 120 1HG2 ILE 17 1HG2 ILE 17 2.534 -7.322 -0.275 121 2HG2 ILE 17 2HG2 ILE 17 4.014 -8.299 -0.422 122 3HG2 ILE 17 3HG2 ILE 17 2.594 -8.958 0.425 123 1HD1 ILE 17 1HD1 ILE 17 4.188 -9.908 1.843 124 2HD1 ILE 17 2HD1 ILE 17 5.965 -9.926 1.753 125 3HD1 ILE 17 3HD1 ILE 17 5.155 -9.566 3.297 126 H ILE 18 HN ILE 18 2.998 -4.018 -0.093 127 HA ILE 18 HA ILE 18 0.128 -4.367 0.420 128 HB ILE 18 HB ILE 18 0.712 -2.457 1.647 129 1HG1 ILE 18 2HG1 ILE 18 -1.200 -2.354 -0.158 130 2HG1 ILE 18 3HG1 ILE 18 -0.775 -0.945 0.792 131 1HG2 ILE 18 1HG2 ILE 18 1.931 -0.517 0.491 132 2HG2 ILE 18 2HG2 ILE 18 2.895 -1.925 0.998 133 3HG2 ILE 18 3HG2 ILE 18 2.441 -1.726 -0.712 134 1HD1 ILE 18 1HD1 ILE 18 0.710 -1.392 -1.792 135 2HD1 ILE 18 2HD1 ILE 18 -0.969 -0.808 -1.871 136 3HD1 ILE 18 3HD1 ILE 18 0.261 0.135 -0.995 137 H ASN 19 HN ASN 19 -1.193 -4.376 -1.381 138 HA ASN 19 HA ASN 19 0.211 -3.929 -3.897 139 1HB ASN 19 2HB ASN 19 -2.173 -5.744 -3.895 140 2HB ASN 19 3HB ASN 19 -0.673 -5.890 -4.789 141 1HD2 ASN 19 1HD2 ASN 19 0.465 -7.579 -4.269 142 2HD2 ASN 19 2HD2 ASN 19 0.625 -8.306 -2.705 143 H PHE 20 HN PHE 20 -1.566 -3.561 -5.752 144 HA PHE 20 HA PHE 20 -3.898 -2.186 -4.658 145 1HB PHE 20 2HB PHE 20 -1.538 -1.142 -6.209 146 2HB PHE 20 3HB PHE 20 -3.092 -0.619 -6.826 147 HD1 PHE 20 1HD PHE 20 -0.913 -0.594 -3.842 148 HD2 PHE 20 2HD PHE 20 -4.356 1.045 -5.704 149 HE1 PHE 20 1HE PHE 20 -0.999 1.208 -2.097 150 HE2 PHE 20 2HE PHE 20 -4.442 2.847 -3.959 151 HZ PHE 20 HZ PHE 20 -2.763 2.907 -2.176 152 H GLU 21 HN GLU 21 -5.405 -3.654 -5.451 153 HA GLU 21 HA GLU 21 -5.284 -4.058 -8.339 154 1HB GLU 21 2HB GLU 21 -4.935 -6.143 -6.988 155 2HB GLU 21 3HB GLU 21 -6.504 -5.910 -6.243 156 1HG GLU 21 2HG GLU 21 -7.588 -6.025 -8.501 157 2HG GLU 21 3HG GLU 21 -6.018 -6.270 -9.239 158 H GLN 22 HN GLN 22 -7.126 -3.566 -9.553 159 HA GLN 22 HA GLN 22 -9.506 -2.896 -8.036 160 1HB GLN 22 2HB GLN 22 -8.337 -0.763 -8.392 161 2HB GLN 22 3HB GLN 22 -8.176 -1.094 -10.105 162 1HG GLN 22 2HG GLN 22 -10.903 -1.392 -9.773 163 2HG GLN 22 3HG GLN 22 -10.557 -0.166 -8.570 164 1HE2 GLN 22 1HE2 GLN 22 -11.005 -0.870 -11.849 165 2HE2 GLN 22 2HE2 GLN 22 -10.613 0.670 -12.539 166 H LYS 23 HN LYS 23 -9.594 -5.257 -9.109 167 HA LYS 23 HA LYS 23 -10.158 -5.243 -11.912 168 1HB LYS 23 2HB LYS 23 -9.788 -7.210 -9.772 169 2HB LYS 23 3HB LYS 23 -11.082 -7.645 -10.871 170 1HG LYS 23 2HG LYS 23 -9.571 -7.367 -12.816 171 2HG LYS 23 3HG LYS 23 -8.279 -6.820 -11.765 172 1HD LYS 23 2HD LYS 23 -7.634 -8.999 -11.649 173 2HD LYS 23 3HD LYS 23 -9.005 -9.238 -10.584 174 1HE LYS 23 2HE LYS 23 -9.727 -9.271 -13.466 175 2HE LYS 23 3HE LYS 23 -8.611 -10.544 -13.011 176 1HZ LYS 23 1HZ LYS 23 -10.826 -11.276 -12.675 177 2HZ LYS 23 2HZ LYS 23 -10.146 -11.096 -11.201 178 3HZ LYS 23 3HZ LYS 23 -11.206 -9.983 -11.753 179 H GLU 24 HN GLU 24 -11.748 -3.341 -11.520 180 HA GLU 24 HA GLU 24 -14.359 -4.563 -11.095 181 1HB GLU 24 2HB GLU 24 -13.187 -2.102 -9.868 182 2HB GLU 24 3HB GLU 24 -14.849 -1.965 -10.406 183 1HG GLU 24 2HG GLU 24 -13.829 -4.210 -8.603 184 2HG GLU 24 3HG GLU 24 -14.586 -2.748 -8.003 185 H SER 25 HN SER 25 -12.587 -1.704 -12.469 186 HA SER 25 HA SER 25 -12.633 -0.950 -14.545 187 1HB SER 25 2HB SER 25 -13.726 -3.333 -15.098 188 2HB SER 25 3HB SER 25 -15.177 -2.375 -15.310 189 HG SER 25 HG SER 25 -14.088 -1.099 -16.905 190 H ASN 26 HN ASN 26 -15.236 -1.032 -12.270 191 HA ASN 26 HA ASN 26 -15.947 1.631 -13.039 192 1HB ASN 26 2HB ASN 26 -18.388 1.166 -13.113 193 2HB ASN 26 3HB ASN 26 -17.560 0.243 -14.352 194 1HD2 ASN 26 1HD2 ASN 26 -19.787 -0.808 -13.999 195 2HD2 ASN 26 2HD2 ASN 26 -19.833 -2.181 -12.945 196 H GLY 27 HN GLY 27 -14.658 -0.021 -10.796 197 1HA GLY 27 1HA GLY 27 -16.417 0.901 -8.610 198 2HA GLY 27 2HA GLY 27 -15.700 -0.698 -8.588 199 HA PRO 28 HA PRO 28 -12.740 2.244 -6.708 200 1HB PRO 28 2HB PRO 28 -12.714 1.251 -4.162 201 2HB PRO 28 3HB PRO 28 -13.705 2.612 -4.651 202 1HG PRO 28 2HG PRO 28 -14.523 -0.177 -4.114 203 2HG PRO 28 3HG PRO 28 -15.517 1.264 -4.182 204 1HD PRO 28 2HD PRO 28 -15.292 -0.762 -6.199 205 2HD PRO 28 3HD PRO 28 -16.195 0.736 -6.314 206 H VAL 29 HN VAL 29 -10.574 1.829 -5.618 207 HA VAL 29 HA VAL 29 -9.607 -0.624 -6.854 208 HB VAL 29 HB VAL 29 -8.222 1.813 -5.722 209 1HG1 VAL 29 1HG1 VAL 29 -6.315 0.662 -5.657 210 2HG1 VAL 29 2HG1 VAL 29 -7.183 -0.816 -6.138 211 3HG1 VAL 29 3HG1 VAL 29 -6.494 0.256 -7.381 212 1HG2 VAL 29 1HG2 VAL 29 -9.535 1.497 -8.139 213 2HG2 VAL 29 2HG2 VAL 29 -8.275 2.702 -7.781 214 3HG2 VAL 29 3HG2 VAL 29 -7.837 1.159 -8.554 215 H LYS 30 HN LYS 30 -8.969 -2.397 -5.703 216 HA LYS 30 HA LYS 30 -9.542 -2.407 -2.905 217 1HB LYS 30 2HB LYS 30 -9.138 -4.337 -5.038 218 2HB LYS 30 3HB LYS 30 -8.245 -4.799 -3.604 219 1HG LYS 30 2HG LYS 30 -10.589 -4.049 -2.428 220 2HG LYS 30 3HG LYS 30 -11.208 -4.530 -3.995 221 1HD LYS 30 2HD LYS 30 -10.225 -6.762 -3.779 222 2HD LYS 30 3HD LYS 30 -9.362 -6.297 -2.326 223 1HE LYS 30 2HE LYS 30 -11.771 -5.725 -1.383 224 2HE LYS 30 3HE LYS 30 -12.341 -6.746 -2.689 225 1HZ LYS 30 1HZ LYS 30 -10.201 -7.739 -0.994 226 2HZ LYS 30 2HZ LYS 30 -11.725 -7.750 -0.409 227 3HZ LYS 30 3HZ LYS 30 -11.370 -8.568 -1.777 228 H VAL 31 HN VAL 31 -8.162 -1.133 -1.706 229 HA VAL 31 HA VAL 31 -5.298 -1.553 -2.142 230 HB VAL 31 HB VAL 31 -6.825 0.600 -0.666 231 1HG1 VAL 31 1HG1 VAL 31 -4.419 1.687 -0.890 232 2HG1 VAL 31 2HG1 VAL 31 -4.828 0.623 0.477 233 3HG1 VAL 31 3HG1 VAL 31 -3.901 -0.016 -0.902 234 1HG2 VAL 31 1HG2 VAL 31 -5.602 0.429 -3.412 235 2HG2 VAL 31 2HG2 VAL 31 -7.190 1.062 -2.915 236 3HG2 VAL 31 3HG2 VAL 31 -5.713 1.995 -2.573 237 H TRP 32 HN TRP 32 -4.337 -3.044 -0.869 238 HA TRP 32 HA TRP 32 -4.973 -3.057 1.949 239 1HB TRP 32 2HB TRP 32 -5.805 -5.168 2.157 240 2HB TRP 32 3HB TRP 32 -6.571 -4.653 0.668 241 HD1 TRP 32 HD1 TRP 32 -3.710 -6.977 1.867 242 HE1 TRP 32 HE1 TRP 32 -3.160 -8.810 0.051 243 HE3 TRP 32 HE3 TRP 32 -6.769 -5.086 -1.728 244 HZ2 TRP 32 HZ2 TRP 32 -4.045 -9.254 -2.626 245 HZ3 TRP 32 HZ3 TRP 32 -6.867 -6.279 -3.915 246 HH2 TRP 32 HH2 TRP 32 -5.569 -8.295 -4.391 247 H GLY 33 HN GLY 33 -3.272 -4.230 3.163 248 1HA GLY 33 1HA GLY 33 -1.076 -5.457 1.884 249 2HA GLY 33 2HA GLY 33 -0.704 -3.769 2.174 250 H SER 34 HN SER 34 0.984 -5.065 3.574 251 HA SER 34 HA SER 34 0.047 -4.823 6.254 252 1HB SER 34 2HB SER 34 0.848 -7.118 6.923 253 2HB SER 34 3HB SER 34 -0.591 -7.133 5.922 254 HG SER 34 HG SER 34 0.637 -7.758 4.116 255 H ILE 35 HN ILE 35 1.673 -3.735 7.300 256 HA ILE 35 HA ILE 35 4.279 -3.671 6.069 257 HB ILE 35 HB ILE 35 2.687 -2.003 7.807 258 1HG1 ILE 35 2HG1 ILE 35 4.910 -0.580 6.912 259 2HG1 ILE 35 3HG1 ILE 35 4.675 -1.799 5.676 260 1HG2 ILE 35 1HG2 ILE 35 4.381 -1.162 9.284 261 2HG2 ILE 35 2HG2 ILE 35 4.229 -2.918 9.538 262 3HG2 ILE 35 3HG2 ILE 35 5.597 -2.269 8.602 263 1HD1 ILE 35 1HD1 ILE 35 3.320 0.540 5.679 264 2HD1 ILE 35 2HD1 ILE 35 2.618 -0.961 5.029 265 3HD1 ILE 35 3HD1 ILE 35 2.203 -0.424 6.675 266 H LYS 36 HN LYS 36 6.272 -3.900 7.506 267 HA LYS 36 HA LYS 36 5.969 -5.599 9.791 268 1HB LYS 36 2HB LYS 36 7.115 -6.729 7.223 269 2HB LYS 36 3HB LYS 36 7.352 -7.450 8.802 270 1HG LYS 36 2HG LYS 36 4.737 -7.368 9.005 271 2HG LYS 36 3HG LYS 36 4.748 -7.102 7.273 272 1HD LYS 36 2HD LYS 36 6.537 -9.257 7.653 273 2HD LYS 36 3HD LYS 36 5.231 -9.581 8.776 274 1HE LYS 36 2HE LYS 36 3.984 -8.707 6.358 275 2HE LYS 36 3HE LYS 36 5.244 -9.822 5.871 276 1HZ LYS 36 1HZ LYS 36 2.959 -10.710 6.559 277 2HZ LYS 36 2HZ LYS 36 4.294 -11.511 7.052 278 3HZ LYS 36 3HZ LYS 36 3.498 -10.533 8.091 279 H GLY 37 HN GLY 37 7.244 -4.410 11.121 280 1HA GLY 37 1HA GLY 37 9.836 -4.403 11.363 281 2HA GLY 37 2HA GLY 37 9.719 -3.270 10.031 282 H LEU 38 HN LEU 38 7.337 -1.866 10.663 283 HA LEU 38 HA LEU 38 8.270 0.058 12.393 284 1HB LEU 38 2HB LEU 38 5.576 -0.657 11.300 285 2HB LEU 38 3HB LEU 38 5.713 0.606 12.508 286 HG LEU 38 HG LEU 38 7.684 1.190 10.571 287 1HD1 LEU 38 1HD1 LEU 38 6.395 -0.443 9.130 288 2HD1 LEU 38 2HD1 LEU 38 5.040 0.710 9.187 289 3HD1 LEU 38 3HD1 LEU 38 6.594 1.199 8.471 290 1HD2 LEU 38 1HD2 LEU 38 4.960 2.479 10.829 291 2HD2 LEU 38 2HD2 LEU 38 6.282 2.727 11.994 292 3HD2 LEU 38 3HD2 LEU 38 6.487 3.223 10.297 293 H THR 39 HN THR 39 6.388 0.665 14.320 294 HA THR 39 HA THR 39 6.331 -1.705 16.054 295 HB THR 39 HB THR 39 7.008 0.073 17.890 296 HG1 THR 39 1HG THR 39 7.521 2.000 16.931 297 1HG2 THR 39 1HG2 THR 39 8.734 -1.498 17.566 298 2HG2 THR 39 2HG2 THR 39 8.803 -1.204 15.812 299 3HG2 THR 39 3HG2 THR 39 9.514 -0.025 16.941 300 H GLU 40 HN GLU 40 4.487 -1.991 17.206 301 HA GLU 40 HA GLU 40 2.182 -0.979 16.447 302 1HB GLU 40 2HB GLU 40 1.289 -1.536 18.719 303 2HB GLU 40 3HB GLU 40 2.335 -2.785 18.075 304 1HG GLU 40 2HG GLU 40 4.241 -1.914 19.415 305 2HG GLU 40 3HG GLU 40 3.239 -0.612 20.023 306 H GLY 41 HN GLY 41 1.176 0.987 16.378 307 1HA GLY 41 1HA GLY 41 0.705 2.834 18.175 308 2HA GLY 41 2HA GLY 41 2.394 3.190 17.875 309 H LEU 42 HN LEU 42 1.693 5.310 17.050 310 HA LEU 42 HA LEU 42 0.049 5.369 14.708 311 1HB LEU 42 2HB LEU 42 1.505 7.370 16.388 312 2HB LEU 42 3HB LEU 42 0.968 7.828 14.784 313 HG LEU 42 HG LEU 42 -1.348 7.328 15.368 314 1HD1 LEU 42 1HD1 LEU 42 -1.199 5.506 16.861 315 2HD1 LEU 42 2HD1 LEU 42 -0.173 6.413 17.997 316 3HD1 LEU 42 3HD1 LEU 42 -1.888 6.850 17.802 317 1HD2 LEU 42 1HD2 LEU 42 -0.097 9.543 15.979 318 2HD2 LEU 42 2HD2 LEU 42 -1.753 9.253 16.565 319 3HD2 LEU 42 3HD2 LEU 42 -0.367 9.003 17.654 320 H HIS 43 HN HIS 43 0.705 5.912 12.563 321 HA HIS 43 HA HIS 43 3.550 5.969 12.062 322 1HB HIS 43 2HB HIS 43 1.754 3.826 10.892 323 2HB HIS 43 3HB HIS 43 3.395 4.156 10.374 324 HD1 HIS 43 HD1 HIS 43 4.892 4.389 13.031 325 HD2 HIS 43 HD2 HIS 43 1.957 1.486 12.286 326 HE1 HIS 43 HE1 HIS 43 5.346 2.478 14.661 327 H GLY 44 HN GLY 44 3.812 7.733 10.797 328 1HA GLY 44 1HA GLY 44 1.775 9.132 9.560 329 2HA GLY 44 2HA GLY 44 3.479 9.243 9.166 330 H PHE 45 HN PHE 45 1.060 9.324 7.379 331 HA PHE 45 HA PHE 45 1.719 6.985 5.730 332 1HB PHE 45 2HB PHE 45 -0.673 7.403 6.810 333 2HB PHE 45 3HB PHE 45 -0.816 8.705 5.646 334 HD1 PHE 45 1HD PHE 45 -1.254 8.258 3.339 335 HD2 PHE 45 2HD PHE 45 -0.515 5.053 6.022 336 HE1 PHE 45 1HE PHE 45 -2.065 6.626 1.613 337 HE2 PHE 45 2HE PHE 45 -1.326 3.421 4.296 338 HZ PHE 45 HZ PHE 45 -2.091 4.227 2.112 339 H HIS 46 HN HIS 46 3.084 7.620 4.120 340 HA HIS 46 HA HIS 46 2.845 10.327 3.122 341 1HB HIS 46 2HB HIS 46 4.870 8.126 2.646 342 2HB HIS 46 3HB HIS 46 4.919 9.680 1.836 343 HD1 HIS 46 HD1 HIS 46 7.358 9.269 3.364 344 HD2 HIS 46 HD2 HIS 46 3.881 10.652 5.260 345 HE1 HIS 46 HE1 HIS 46 8.121 10.406 5.517 346 H VAL 47 HN VAL 47 3.234 10.455 0.567 347 HA VAL 47 HA VAL 47 1.985 8.346 -0.905 348 HB VAL 47 HB VAL 47 0.511 10.898 -0.285 349 1HG1 VAL 47 1HG1 VAL 47 -1.126 9.927 -2.097 350 2HG1 VAL 47 2HG1 VAL 47 0.252 10.944 -2.583 351 3HG1 VAL 47 3HG1 VAL 47 0.353 9.173 -2.741 352 1HG2 VAL 47 1HG2 VAL 47 -0.045 7.949 -0.010 353 2HG2 VAL 47 2HG2 VAL 47 -0.176 9.242 1.206 354 3HG2 VAL 47 3HG2 VAL 47 -1.381 9.122 -0.099 355 H HIS 48 HN HIS 48 4.229 8.598 -1.742 356 HA HIS 48 HA HIS 48 5.369 10.790 -2.751 357 1HB HIS 48 2HB HIS 48 5.681 8.011 -3.019 358 2HB HIS 48 3HB HIS 48 5.616 8.615 -4.662 359 HD1 HIS 48 HD1 HIS 48 7.868 8.275 -1.787 360 HD2 HIS 48 HD2 HIS 48 7.635 10.708 -5.196 361 HE1 HIS 48 HE1 HIS 48 10.177 9.322 -2.078 362 H GLU 49 HN GLU 49 5.418 11.914 -4.798 363 HA GLU 49 HA GLU 49 2.793 12.094 -5.912 364 1HB GLU 49 2HB GLU 49 4.685 13.963 -5.394 365 2HB GLU 49 3HB GLU 49 5.091 13.639 -7.068 366 1HG GLU 49 2HG GLU 49 3.033 14.423 -7.875 367 2HG GLU 49 3HG GLU 49 2.182 14.047 -6.390 368 H GLU 50 HN GLU 50 2.285 10.389 -7.272 369 HA GLU 50 HA GLU 50 3.881 8.825 -8.679 370 1HB GLU 50 2HB GLU 50 1.279 9.953 -9.799 371 2HB GLU 50 3HB GLU 50 2.002 8.408 -10.202 372 1HG GLU 50 2HG GLU 50 0.784 7.502 -8.514 373 2HG GLU 50 3HG GLU 50 1.843 8.338 -7.396 374 H GLU 51 HN GLU 51 5.703 9.477 -9.784 375 HA GLU 51 HA GLU 51 5.254 10.942 -12.188 376 1HB GLU 51 2HB GLU 51 6.056 12.397 -9.889 377 2HB GLU 51 3HB GLU 51 7.515 12.213 -10.843 378 1HG GLU 51 2HG GLU 51 5.955 12.922 -12.872 379 2HG GLU 51 3HG GLU 51 4.908 13.551 -11.615 380 H ASP 52 HN ASP 52 8.065 11.569 -12.653 381 HA ASP 52 HA ASP 52 8.891 9.063 -13.520 382 1HB ASP 52 2HB ASP 52 11.160 10.391 -13.797 383 2HB ASP 52 3HB ASP 52 9.777 10.815 -14.786 384 H ASN 53 HN ASN 53 9.273 7.530 -11.849 385 HA ASN 53 HA ASN 53 11.467 8.217 -10.084 386 1HB ASN 53 2HB ASN 53 8.717 7.190 -9.294 387 2HB ASN 53 3HB ASN 53 10.107 6.739 -8.326 388 1HD2 ASN 53 1HD2 ASN 53 11.487 8.451 -7.501 389 2HD2 ASN 53 2HD2 ASN 53 10.800 9.977 -7.055 390 H THR 54 HN THR 54 12.320 6.828 -12.061 391 HA THR 54 HA THR 54 11.984 3.978 -11.389 392 HB THR 54 HB THR 54 10.894 4.290 -13.506 393 HG1 THR 54 1HG THR 54 12.405 3.090 -14.778 394 1HG2 THR 54 1HG2 THR 54 11.850 6.640 -13.924 395 2HG2 THR 54 2HG2 THR 54 13.348 5.845 -14.464 396 3HG2 THR 54 3HG2 THR 54 11.829 5.577 -15.352 397 H ALA 55 HN ALA 55 13.749 3.115 -10.517 398 HA ALA 55 HA ALA 55 16.217 3.099 -11.653 399 1HB ALA 55 1HB ALA 55 15.668 5.669 -10.450 400 2HB ALA 55 2HB ALA 55 16.977 4.860 -9.555 401 3HB ALA 55 3HB ALA 55 17.128 5.122 -11.309 402 H GLY 56 HN GLY 56 14.998 3.877 -8.311 403 1HA GLY 56 1HA GLY 56 14.735 1.455 -7.219 404 2HA GLY 56 2HA GLY 56 16.480 1.615 -7.247 405 H CYS 57 HN CYS 57 13.566 3.636 -6.418 406 HA CYS 57 HA CYS 57 13.295 5.194 -4.870 407 1HB CYS 57 2HB CYS 57 14.710 3.429 -2.905 408 2HB CYS 57 3HB CYS 57 13.271 4.405 -2.689 409 H THR 58 HN THR 58 14.755 6.797 -5.788 410 HA THR 58 HA THR 58 17.484 6.804 -4.763 411 HB THR 58 HB THR 58 15.993 7.848 -7.096 412 HG1 THR 58 1HG THR 58 18.239 7.599 -7.853 413 1HG2 THR 58 1HG2 THR 58 16.478 10.036 -5.910 414 2HG2 THR 58 2HG2 THR 58 18.192 9.561 -5.823 415 3HG2 THR 58 3HG2 THR 58 17.424 9.836 -7.405 416 H SER 59 HN SER 59 14.440 8.714 -4.591 417 HA SER 59 HA SER 59 13.841 10.362 -3.303 418 1HB SER 59 2HB SER 59 15.524 8.704 -1.405 419 2HB SER 59 3HB SER 59 14.760 10.176 -0.839 420 HG SER 59 HG SER 59 12.843 8.881 -2.169 421 H ALA 60 HN ALA 60 14.689 12.241 -4.253 422 HA ALA 60 HA ALA 60 17.270 13.124 -3.155 423 1HB ALA 60 1HB ALA 60 16.580 12.582 -5.852 424 2HB ALA 60 2HB ALA 60 16.622 14.355 -5.696 425 3HB ALA 60 3HB ALA 60 18.048 13.389 -5.246 426 H GLY 61 HN GLY 61 14.303 14.341 -4.881 427 1HA GLY 61 1HA GLY 61 14.060 16.394 -2.778 428 2HA GLY 61 2HA GLY 61 14.075 16.856 -4.469 429 HA PRO 62 HA PRO 62 10.099 14.382 -3.624 430 1HB PRO 62 2HB PRO 62 9.381 13.914 -1.029 431 2HB PRO 62 3HB PRO 62 10.208 12.731 -2.023 432 1HG PRO 62 2HG PRO 62 11.294 14.397 0.164 433 2HG PRO 62 3HG PRO 62 11.963 12.940 -0.542 434 1HD PRO 62 2HD PRO 62 12.830 15.632 -1.018 435 2HD PRO 62 3HD PRO 62 13.421 14.185 -1.810 436 H HIS 63 HN HIS 63 7.837 14.830 -2.303 437 HA HIS 63 HA HIS 63 7.809 17.580 -1.491 438 1HB HIS 63 2HB HIS 63 7.041 16.769 -4.215 439 2HB HIS 63 3HB HIS 63 5.802 17.682 -3.377 440 HD1 HIS 63 HD1 HIS 63 6.973 19.092 -5.720 441 HD2 HIS 63 HD2 HIS 63 8.738 19.298 -1.920 442 HE1 HIS 63 HE1 HIS 63 8.406 21.203 -5.711 443 H PHE 64 HN PHE 64 5.936 14.658 -2.508 444 HA PHE 64 HA PHE 64 4.073 13.763 -1.713 445 1HB PHE 64 2HB PHE 64 5.352 14.833 0.875 446 2HB PHE 64 3HB PHE 64 4.113 13.594 0.844 447 HD1 PHE 64 1HD PHE 64 7.503 14.086 1.171 448 HD2 PHE 64 2HD PHE 64 4.759 11.580 -0.877 449 HE1 PHE 64 1HE PHE 64 9.274 12.320 0.959 450 HE2 PHE 64 2HE PHE 64 6.530 9.814 -1.089 451 HZ PHE 64 HZ PHE 64 8.766 10.205 -0.168 452 H ASN 65 HN ASN 65 3.413 16.204 -2.748 453 HA ASN 65 HA ASN 65 1.441 17.094 -0.810 454 1HB ASN 65 2HB ASN 65 3.477 18.711 -1.116 455 2HB ASN 65 3HB ASN 65 2.847 19.015 -2.722 456 1HD2 ASN 65 1HD2 ASN 65 2.153 21.041 -2.559 457 2HD2 ASN 65 2HD2 ASN 65 0.937 21.618 -1.468 458 HA PRO 66 HA PRO 66 -0.133 16.160 -5.053 459 1HB PRO 66 2HB PRO 66 -1.745 14.034 -4.463 460 2HB PRO 66 3HB PRO 66 -0.105 13.858 -5.056 461 1HG PRO 66 2HG PRO 66 -1.136 13.465 -2.313 462 2HG PRO 66 3HG PRO 66 0.367 12.898 -3.013 463 1HD PRO 66 2HD PRO 66 0.036 15.113 -1.221 464 2HD PRO 66 3HD PRO 66 1.519 14.617 -2.011 465 H LEU 67 HN LEU 67 -0.841 18.348 -3.828 466 HA LEU 67 HA LEU 67 -2.621 19.713 -3.959 467 1HB LEU 67 2HB LEU 67 -3.649 17.564 -5.268 468 2HB LEU 67 3HB LEU 67 -4.722 17.643 -3.885 469 HG LEU 67 HG LEU 67 -4.223 20.212 -5.296 470 1HD1 LEU 67 1HD1 LEU 67 -6.059 18.161 -6.547 471 2HD1 LEU 67 2HD1 LEU 67 -5.619 19.773 -7.161 472 3HD1 LEU 67 3HD1 LEU 67 -4.403 18.474 -7.119 473 1HD2 LEU 67 1HD2 LEU 67 -6.546 20.605 -4.796 474 2HD2 LEU 67 2HD2 LEU 67 -6.773 18.909 -4.306 475 3HD2 LEU 67 3HD2 LEU 67 -5.733 19.984 -3.339 476 H SER 68 HN SER 68 -2.090 17.074 -1.780 477 HA SER 68 HA SER 68 -3.974 17.520 0.134 478 1HB SER 68 2HB SER 68 -2.376 16.478 1.704 479 2HB SER 68 3HB SER 68 -2.387 15.632 0.170 480 HG SER 68 HG SER 68 -0.499 17.747 0.502 481 H ARG 69 HN ARG 69 -1.122 19.422 -0.762 482 HA ARG 69 HA ARG 69 -0.551 21.449 -0.225 483 1HB ARG 69 2HB ARG 69 -3.228 21.321 0.962 484 2HB ARG 69 3HB ARG 69 -2.174 22.309 1.954 485 1HG ARG 69 2HG ARG 69 -1.534 23.148 -0.636 486 2HG ARG 69 3HG ARG 69 -3.256 22.843 -0.749 487 1HD ARG 69 2HD ARG 69 -3.805 24.531 0.761 488 2HD ARG 69 3HD ARG 69 -2.326 24.345 1.682 489 HE ARG 69 HE ARG 69 -1.592 25.288 -0.898 490 1HH1 ARG 69 2HH2 ARG 69 -3.382 26.414 1.915 491 2HH1 ARG 69 1HH2 ARG 69 -3.034 28.086 1.626 492 1HH2 ARG 69 2HH1 ARG 69 -1.132 27.494 -1.280 493 2HH2 ARG 69 1HH1 ARG 69 -1.746 28.704 -0.204 494 H LYS 70 HN LYS 70 -1.364 19.158 2.387 495 HA LYS 70 HA LYS 70 -0.247 18.507 4.179 496 1HB LYS 70 2HB LYS 70 1.922 19.899 2.667 497 2HB LYS 70 3HB LYS 70 2.225 19.510 4.349 498 1HG LYS 70 2HG LYS 70 1.397 17.118 3.798 499 2HG LYS 70 3HG LYS 70 1.478 17.581 2.110 500 1HD LYS 70 2HD LYS 70 3.842 17.830 4.026 501 2HD LYS 70 3HD LYS 70 3.564 16.418 3.025 502 1HE LYS 70 2HE LYS 70 3.858 17.666 0.986 503 2HE LYS 70 3HE LYS 70 3.701 19.206 1.808 504 1HZ LYS 70 1HZ LYS 70 5.885 19.161 1.966 505 2HZ LYS 70 2HZ LYS 70 5.764 17.951 3.056 506 3HZ LYS 70 3HZ LYS 70 5.996 17.608 1.476 507 H HIS 71 HN HIS 71 1.157 19.617 6.176 508 HA HIS 71 HA HIS 71 1.104 21.043 7.844 509 1HB HIS 71 2HB HIS 71 0.528 22.839 5.547 510 2HB HIS 71 3HB HIS 71 0.132 23.465 7.135 511 HD1 HIS 71 HD1 HIS 71 3.145 21.799 5.430 512 HD2 HIS 71 HD2 HIS 71 2.255 24.657 8.369 513 HE1 HIS 71 HE1 HIS 71 5.381 22.771 6.182 514 H GLY 72 HN GLY 72 -1.150 19.253 7.154 515 1HA GLY 72 1HA GLY 72 -3.398 20.778 8.319 516 2HA GLY 72 2HA GLY 72 -3.549 19.377 7.278 517 H GLY 73 HN GLY 73 -4.909 18.462 9.042 518 1HA GLY 73 1HA GLY 73 -4.830 16.590 10.443 519 2HA GLY 73 2HA GLY 73 -3.220 17.035 10.973 520 HA PRO 74 HA PRO 74 -5.204 18.798 14.426 521 1HB PRO 74 2HB PRO 74 -3.014 19.856 15.672 522 2HB PRO 74 3HB PRO 74 -3.482 18.173 15.820 523 1HG PRO 74 2HG PRO 74 -1.275 19.351 14.245 524 2HG PRO 74 3HG PRO 74 -1.500 17.687 14.745 525 1HD PRO 74 2HD PRO 74 -1.959 18.770 12.129 526 2HD PRO 74 3HD PRO 74 -2.293 17.133 12.659 527 H LYS 75 HN LYS 75 -5.855 20.177 12.257 528 HA LYS 75 HA LYS 75 -6.244 22.722 13.283 529 1HB LYS 75 2HB LYS 75 -4.756 23.951 11.557 530 2HB LYS 75 3HB LYS 75 -4.039 23.387 13.053 531 1HG LYS 75 2HG LYS 75 -3.926 21.242 11.101 532 2HG LYS 75 3HG LYS 75 -3.290 22.701 10.369 533 1HD LYS 75 2HD LYS 75 -2.401 21.990 13.169 534 2HD LYS 75 3HD LYS 75 -1.724 21.092 11.826 535 1HE LYS 75 2HE LYS 75 -0.357 22.819 11.268 536 2HE LYS 75 3HE LYS 75 -1.706 23.934 11.189 537 1HZ LYS 75 1HZ LYS 75 -0.147 24.565 12.884 538 2HZ LYS 75 2HZ LYS 75 -1.572 24.171 13.578 539 3HZ LYS 75 3HZ LYS 75 -0.313 23.132 13.650 540 H ASP 76 HN ASP 76 -5.812 20.590 10.438 541 HA ASP 76 HA ASP 76 -7.159 20.141 8.789 542 1HB ASP 76 2HB ASP 76 -9.304 22.111 9.471 543 2HB ASP 76 3HB ASP 76 -9.451 20.431 8.997 544 H GLU 77 HN GLU 77 -5.784 21.194 7.226 545 HA GLU 77 HA GLU 77 -6.556 23.944 6.629 546 1HB GLU 77 2HB GLU 77 -4.185 23.637 7.394 547 2HB GLU 77 3HB GLU 77 -3.902 22.558 6.042 548 1HG GLU 77 2HG GLU 77 -3.108 24.729 5.357 549 2HG GLU 77 3HG GLU 77 -4.598 24.449 4.479 550 H GLU 78 HN GLU 78 -6.515 20.651 5.570 551 HA GLU 78 HA GLU 78 -8.090 20.934 3.469 552 1HB GLU 78 2HB GLU 78 -6.760 22.353 2.158 553 2HB GLU 78 3HB GLU 78 -5.261 21.604 2.669 554 1HG GLU 78 2HG GLU 78 -5.370 19.965 1.060 555 2HG GLU 78 3HG GLU 78 -7.100 19.755 1.240 556 H ARG 79 HN ARG 79 -4.853 19.474 2.892 557 HA ARG 79 HA ARG 79 -4.333 17.396 2.473 558 1HB ARG 79 2HB ARG 79 -4.418 15.916 4.438 559 2HB ARG 79 3HB ARG 79 -4.096 17.555 4.970 560 1HG ARG 79 2HG ARG 79 -6.298 17.860 5.809 561 2HG ARG 79 3HG ARG 79 -6.959 16.566 4.829 562 1HD ARG 79 2HD ARG 79 -6.417 14.953 6.369 563 2HD ARG 79 3HD ARG 79 -4.833 15.637 6.673 564 HE ARG 79 HE ARG 79 -5.716 16.821 8.490 565 1HH1 ARG 79 2HH2 ARG 79 -8.354 15.735 6.431 566 2HH1 ARG 79 1HH2 ARG 79 -9.591 16.232 7.537 567 1HH2 ARG 79 2HH1 ARG 79 -7.347 17.477 9.949 568 2HH2 ARG 79 1HH1 ARG 79 -9.015 17.230 9.551 569 H HIS 80 HN HIS 80 -5.519 14.866 3.273 570 HA HIS 80 HA HIS 80 -7.192 13.470 2.867 571 1HB HIS 80 2HB HIS 80 -8.659 15.581 3.436 572 2HB HIS 80 3HB HIS 80 -8.970 15.597 1.712 573 HD1 HIS 80 HD1 HIS 80 -11.481 14.983 2.112 574 HD2 HIS 80 HD2 HIS 80 -8.751 12.099 3.465 575 HE1 HIS 80 HE1 HIS 80 -12.842 12.879 2.591 576 H VAL 81 HN VAL 81 -5.173 14.935 0.900 577 HA VAL 81 HA VAL 81 -6.249 13.592 -1.479 578 HB VAL 81 HB VAL 81 -4.479 15.977 -1.746 579 1HG1 VAL 81 1HG1 VAL 81 -6.558 14.545 -3.373 580 2HG1 VAL 81 2HG1 VAL 81 -6.209 16.258 -3.710 581 3HG1 VAL 81 3HG1 VAL 81 -4.909 15.047 -3.817 582 1HG2 VAL 81 1HG2 VAL 81 -6.136 16.775 -0.151 583 2HG2 VAL 81 2HG2 VAL 81 -6.443 17.487 -1.753 584 3HG2 VAL 81 3HG2 VAL 81 -7.456 16.146 -1.167 585 H GLY 82 HN GLY 82 -4.126 13.317 0.967 586 1HA GLY 82 1HA GLY 82 -2.417 11.544 -0.399 587 2HA GLY 82 2HA GLY 82 -1.595 13.077 -0.194 588 H ASP 83 HN ASP 83 -2.133 14.076 2.207 589 HA ASP 83 HA ASP 83 -0.924 12.190 3.932 590 1HB ASP 83 2HB ASP 83 -1.145 14.994 3.774 591 2HB ASP 83 3HB ASP 83 -2.062 14.593 5.212 592 H LEU 84 HN LEU 84 -1.899 11.197 5.815 593 HA LEU 84 HA LEU 84 -4.765 11.679 6.160 594 1HB LEU 84 2HB LEU 84 -3.735 9.445 4.888 595 2HB LEU 84 3HB LEU 84 -3.984 8.893 6.532 596 HG LEU 84 HG LEU 84 -6.137 10.263 4.905 597 1HD1 LEU 84 1HD1 LEU 84 -5.041 7.680 4.482 598 2HD1 LEU 84 2HD1 LEU 84 -6.642 7.467 5.230 599 3HD1 LEU 84 3HD1 LEU 84 -6.478 8.415 3.732 600 1HD2 LEU 84 1HD2 LEU 84 -7.611 9.782 6.589 601 2HD2 LEU 84 2HD2 LEU 84 -6.662 8.398 7.183 602 3HD2 LEU 84 3HD2 LEU 84 -6.128 10.059 7.534 603 H GLY 85 HN GLY 85 -1.985 12.318 7.474 604 1HA GLY 85 1HA GLY 85 -1.528 12.838 9.648 605 2HA GLY 85 2HA GLY 85 -2.941 11.947 10.176 606 H ASN 86 HN ASN 86 -2.764 9.780 10.827 607 HA ASN 86 HA ASN 86 -0.297 8.425 10.260 608 1HB ASN 86 2HB ASN 86 0.174 7.932 12.647 609 2HB ASN 86 3HB ASN 86 0.187 9.664 12.382 610 1HD2 ASN 86 1HD2 ASN 86 -0.689 10.716 13.979 611 2HD2 ASN 86 2HD2 ASN 86 -2.097 10.278 14.888 612 H VAL 87 HN VAL 87 -0.521 6.061 10.724 613 HA VAL 87 HA VAL 87 -3.338 5.284 10.840 614 HB VAL 87 HB VAL 87 -2.659 3.267 9.765 615 1HG1 VAL 87 1HG1 VAL 87 -1.539 5.810 8.600 616 2HG1 VAL 87 2HG1 VAL 87 -1.376 4.265 7.731 617 3HG1 VAL 87 3HG1 VAL 87 -2.992 4.895 8.131 618 1HG2 VAL 87 1HG2 VAL 87 0.170 3.846 9.332 619 2HG2 VAL 87 2HG2 VAL 87 -0.219 3.633 11.056 620 3HG2 VAL 87 3HG2 VAL 87 -0.620 2.351 9.888 621 H THR 88 HN THR 88 -2.335 2.462 11.512 622 HA THR 88 HA THR 88 -1.283 2.738 14.178 623 HB THR 88 HB THR 88 -4.187 1.906 13.666 624 HG1 THR 88 1HG THR 88 -4.378 4.027 14.258 625 1HG2 THR 88 1HG2 THR 88 -3.031 2.227 16.423 626 2HG2 THR 88 2HG2 THR 88 -4.333 1.149 15.864 627 3HG2 THR 88 3HG2 THR 88 -2.632 0.719 15.566 628 H ALA 89 HN ALA 89 -0.038 1.026 14.648 629 HA ALA 89 HA ALA 89 -0.027 -1.136 12.736 630 1HB ALA 89 1HB ALA 89 1.769 0.026 14.786 631 2HB ALA 89 2HB ALA 89 1.852 -1.747 14.642 632 3HB ALA 89 3HB ALA 89 2.154 -0.723 13.218 633 H ASP 90 HN ASP 90 0.410 -3.436 13.868 634 HA ASP 90 HA ASP 90 -2.019 -3.950 15.245 635 1HB ASP 90 2HB ASP 90 -1.317 -5.598 13.649 636 2HB ASP 90 3HB ASP 90 0.316 -5.639 14.283 637 H LYS 91 HN LYS 91 0.895 -5.800 16.093 638 HA LYS 91 HA LYS 91 1.093 -4.432 18.664 639 1HB LYS 91 2HB LYS 91 1.034 -6.559 19.877 640 2HB LYS 91 3HB LYS 91 -0.481 -6.240 19.059 641 1HG LYS 91 2HG LYS 91 0.107 -7.777 17.235 642 2HG LYS 91 3HG LYS 91 1.725 -7.988 17.876 643 1HD LYS 91 2HD LYS 91 0.548 -8.836 20.053 644 2HD LYS 91 3HD LYS 91 -0.899 -8.955 19.072 645 1HE LYS 91 2HE LYS 91 1.041 -10.191 17.470 646 2HE LYS 91 3HE LYS 91 1.503 -10.680 19.087 647 1HZ LYS 91 1HZ LYS 91 -0.418 -11.803 19.369 648 2HZ LYS 91 2HZ LYS 91 -1.306 -10.828 18.407 649 3HZ LYS 91 3HZ LYS 91 -0.315 -11.944 17.745 650 H ASP 92 HN ASP 92 2.562 -5.034 15.896 651 HA ASP 92 HA ASP 92 5.112 -5.201 17.186 652 1HB ASP 92 2HB ASP 92 3.927 -7.442 15.694 653 2HB ASP 92 3HB ASP 92 5.428 -6.917 14.958 654 H GLY 93 HN GLY 93 3.300 -3.341 15.546 655 1HA GLY 93 1HA GLY 93 3.942 -1.610 14.162 656 2HA GLY 93 2HA GLY 93 5.317 -2.539 13.599 657 H VAL 94 HN VAL 94 3.707 -5.021 13.092 658 HA VAL 94 HA VAL 94 3.237 -4.814 10.456 659 HB VAL 94 HB VAL 94 1.557 -6.447 12.365 660 1HG1 VAL 94 1HG1 VAL 94 1.458 -6.259 9.596 661 2HG1 VAL 94 2HG1 VAL 94 2.464 -7.700 9.882 662 3HG1 VAL 94 3HG1 VAL 94 0.832 -7.600 10.585 663 1HG2 VAL 94 1HG2 VAL 94 4.426 -6.462 11.936 664 2HG2 VAL 94 2HG2 VAL 94 3.444 -7.393 13.093 665 3HG2 VAL 94 3HG2 VAL 94 3.701 -8.012 11.444 666 H ALA 95 HN ALA 95 2.194 -3.126 9.483 667 HA ALA 95 HA ALA 95 -0.442 -2.417 10.562 668 1HB ALA 95 1HB ALA 95 0.303 -0.311 10.335 669 2HB ALA 95 2HB ALA 95 1.832 -0.903 9.644 670 3HB ALA 95 3HB ALA 95 0.445 -0.568 8.580 671 H ASP 96 HN ASP 96 -2.159 -3.268 9.510 672 HA ASP 96 HA ASP 96 -1.699 -4.126 6.776 673 1HB ASP 96 2HB ASP 96 -3.473 -5.672 7.081 674 2HB ASP 96 3HB ASP 96 -2.637 -5.684 8.621 675 H VAL 97 HN VAL 97 -3.424 -3.614 5.144 676 HA VAL 97 HA VAL 97 -5.178 -1.410 5.947 677 HB VAL 97 HB VAL 97 -3.272 -1.497 3.607 678 1HG1 VAL 97 1HG1 VAL 97 -5.318 -0.692 2.685 679 2HG1 VAL 97 2HG1 VAL 97 -5.639 0.327 4.109 680 3HG1 VAL 97 3HG1 VAL 97 -4.305 0.737 3.003 681 1HG2 VAL 97 1HG2 VAL 97 -3.600 0.396 5.955 682 2HG2 VAL 97 2HG2 VAL 97 -2.229 -0.689 5.621 683 3HG2 VAL 97 3HG2 VAL 97 -2.541 0.703 4.558 684 H SER 98 HN SER 98 -7.065 -1.159 4.507 685 HA SER 98 HA SER 98 -7.537 -2.989 2.464 686 1HB SER 98 2HB SER 98 -9.271 -4.399 3.529 687 2HB SER 98 3HB SER 98 -7.706 -4.643 4.279 688 HG SER 98 HG SER 98 -9.693 -4.310 5.711 689 H ILE 99 HN ILE 99 -8.386 -1.229 1.316 690 HA ILE 99 HA ILE 99 -10.995 -0.340 2.188 691 HB ILE 99 HB ILE 99 -9.164 1.857 1.407 692 1HG1 ILE 99 2HG1 ILE 99 -9.148 0.729 4.221 693 2HG1 ILE 99 3HG1 ILE 99 -7.847 0.526 3.065 694 1HG2 ILE 99 1HG2 ILE 99 -11.578 1.508 3.181 695 2HG2 ILE 99 2HG2 ILE 99 -10.581 2.982 3.223 696 3HG2 ILE 99 3HG2 ILE 99 -11.394 2.500 1.714 697 1HD1 ILE 99 1HD1 ILE 99 -8.540 3.325 3.120 698 2HD1 ILE 99 2HD1 ILE 99 -8.339 2.761 4.796 699 3HD1 ILE 99 3HD1 ILE 99 -7.017 2.554 3.622 700 H GLU 100 HN GLU 100 -11.929 1.175 0.363 701 HA GLU 100 HA GLU 100 -10.909 0.152 -2.171 702 1HB GLU 100 2HB GLU 100 -13.565 -0.126 -0.970 703 2HB GLU 100 3HB GLU 100 -13.665 0.672 -2.527 704 1HG GLU 100 2HG GLU 100 -12.846 -1.176 -3.696 705 2HG GLU 100 3HG GLU 100 -11.877 -1.740 -2.349 706 H ASP 101 HN ASP 101 -9.771 2.006 -2.800 707 HA ASP 101 HA ASP 101 -11.183 4.517 -2.618 708 1HB ASP 101 2HB ASP 101 -8.328 3.717 -3.296 709 2HB ASP 101 3HB ASP 101 -8.899 5.346 -3.600 710 H SER 102 HN SER 102 -12.363 5.188 -4.415 711 HA SER 102 HA SER 102 -11.724 3.920 -6.940 712 1HB SER 102 2HB SER 102 -13.952 4.774 -7.664 713 2HB SER 102 3HB SER 102 -14.060 3.768 -6.234 714 HG SER 102 HG SER 102 -15.078 6.165 -6.473 715 H VAL 103 HN VAL 103 -11.811 7.045 -5.235 716 HA VAL 103 HA VAL 103 -11.842 8.884 -7.186 717 HB VAL 103 HB VAL 103 -10.084 8.674 -4.742 718 1HG1 VAL 103 1HG1 VAL 103 -8.937 10.467 -5.407 719 2HG1 VAL 103 2HG1 VAL 103 -9.897 10.571 -6.903 720 3HG1 VAL 103 3HG1 VAL 103 -10.455 11.396 -5.428 721 1HG2 VAL 103 1HG2 VAL 103 -12.765 9.932 -5.343 722 2HG2 VAL 103 2HG2 VAL 103 -12.338 8.756 -4.076 723 3HG2 VAL 103 3HG2 VAL 103 -11.779 10.441 -3.951 724 H ILE 104 HN ILE 104 -9.359 6.425 -6.612 725 HA ILE 104 HA ILE 104 -7.893 7.531 -8.906 726 HB ILE 104 HB ILE 104 -5.860 6.551 -7.908 727 1HG1 ILE 104 2HG1 ILE 104 -6.076 6.182 -5.330 728 2HG1 ILE 104 3HG1 ILE 104 -7.765 5.873 -5.678 729 1HG2 ILE 104 1HG2 ILE 104 -6.984 8.975 -7.459 730 2HG2 ILE 104 2HG2 ILE 104 -6.780 8.395 -5.788 731 3HG2 ILE 104 3HG2 ILE 104 -5.374 8.490 -6.875 732 1HD1 ILE 104 1HD1 ILE 104 -7.263 3.787 -6.392 733 2HD1 ILE 104 2HD1 ILE 104 -6.169 4.454 -7.628 734 3HD1 ILE 104 3HD1 ILE 104 -5.553 4.087 -5.999 735 H SER 105 HN SER 105 -6.510 5.684 -9.973 736 HA SER 105 HA SER 105 -7.444 3.070 -9.676 737 1HB SER 105 2HB SER 105 -8.547 2.895 -11.968 738 2HB SER 105 3HB SER 105 -9.483 3.730 -10.744 739 HG SER 105 HG SER 105 -8.086 4.813 -13.005 740 H LEU 106 HN LEU 106 -6.778 1.832 -11.980 741 HA LEU 106 HA LEU 106 -4.112 2.909 -12.572 742 1HB LEU 106 2HB LEU 106 -4.711 0.076 -13.144 743 2HB LEU 106 3HB LEU 106 -3.255 0.827 -12.520 744 HG LEU 106 HG LEU 106 -5.715 -0.052 -11.021 745 1HD1 LEU 106 1HD1 LEU 106 -4.140 -1.297 -9.675 746 2HD1 LEU 106 2HD1 LEU 106 -3.872 -1.659 -11.397 747 3HD1 LEU 106 3HD1 LEU 106 -2.767 -0.560 -10.536 748 1HD2 LEU 106 1HD2 LEU 106 -5.603 1.715 -9.677 749 2HD2 LEU 106 2HD2 LEU 106 -4.026 1.100 -9.126 750 3HD2 LEU 106 3HD2 LEU 106 -4.104 2.294 -10.443 751 H SER 107 HN SER 107 -6.380 4.002 -13.878 752 HA SER 107 HA SER 107 -6.256 2.682 -16.468 753 1HB SER 107 2HB SER 107 -8.463 3.470 -15.053 754 2HB SER 107 3HB SER 107 -8.195 4.909 -16.016 755 HG SER 107 HG SER 107 -8.130 3.456 -17.931 756 H GLY 108 HN GLY 108 -6.183 4.185 -18.420 757 1HA GLY 108 1HA GLY 108 -4.017 5.982 -18.199 758 2HA GLY 108 2HA GLY 108 -5.054 5.740 -19.591 759 H ASP 109 HN ASP 109 -4.877 7.385 -16.378 760 HA ASP 109 HA ASP 109 -5.608 9.818 -17.324 761 1HB ASP 109 2HB ASP 109 -7.861 8.173 -17.380 762 2HB ASP 109 3HB ASP 109 -8.030 8.971 -15.830 763 H HIS 110 HN HIS 110 -6.438 7.482 -14.655 764 HA HIS 110 HA HIS 110 -5.394 9.463 -12.764 765 1HB HIS 110 2HB HIS 110 -7.709 7.565 -12.618 766 2HB HIS 110 3HB HIS 110 -6.853 7.964 -11.142 767 HD1 HIS 110 HD1 HIS 110 -8.113 10.090 -14.094 768 HD2 HIS 110 HD2 HIS 110 -8.173 9.989 -9.900 769 HE1 HIS 110 HE1 HIS 110 -9.403 12.161 -13.347 770 H SER 111 HN SER 111 -4.267 7.042 -14.487 771 HA SER 111 HA SER 111 -3.595 4.937 -13.037 772 1HB SER 111 2HB SER 111 -1.656 4.692 -14.423 773 2HB SER 111 3HB SER 111 -2.840 5.544 -15.394 774 HG SER 111 HG SER 111 -1.687 7.568 -14.472 775 H ILE 112 HN ILE 112 -2.910 4.750 -10.935 776 HA ILE 112 HA ILE 112 -1.121 6.839 -9.926 777 HB ILE 112 HB ILE 112 -1.868 6.236 -7.735 778 1HG1 ILE 112 2HG1 ILE 112 -3.975 4.347 -8.472 779 2HG1 ILE 112 3HG1 ILE 112 -2.374 3.721 -8.811 780 1HG2 ILE 112 1HG2 ILE 112 -3.284 7.682 -9.377 781 2HG2 ILE 112 2HG2 ILE 112 -4.422 6.315 -9.312 782 3HG2 ILE 112 3HG2 ILE 112 -3.977 7.174 -7.818 783 1HD1 ILE 112 1HD1 ILE 112 -3.404 3.391 -6.410 784 2HD1 ILE 112 2HD1 ILE 112 -1.690 3.847 -6.559 785 3HD1 ILE 112 3HD1 ILE 112 -2.908 5.082 -6.158 786 H ILE 113 HN ILE 113 -0.500 4.400 -11.702 787 HA ILE 113 HA ILE 113 0.898 2.589 -10.027 788 HB ILE 113 HB ILE 113 0.900 3.114 -12.995 789 1HG1 ILE 113 2HG1 ILE 113 -1.164 2.181 -11.884 790 2HG1 ILE 113 3HG1 ILE 113 -0.485 1.208 -13.173 791 1HG2 ILE 113 1HG2 ILE 113 2.022 0.771 -13.011 792 2HG2 ILE 113 2HG2 ILE 113 3.021 2.219 -12.740 793 3HG2 ILE 113 3HG2 ILE 113 2.543 1.197 -11.363 794 1HD1 ILE 113 1HD1 ILE 113 -0.943 -0.349 -11.431 795 2HD1 ILE 113 2HD1 ILE 113 0.810 -0.064 -11.315 796 3HD1 ILE 113 3HD1 ILE 113 -0.299 0.738 -10.177 797 H GLY 114 HN GLY 114 1.944 4.386 -8.710 798 1HA GLY 114 1HA GLY 114 4.658 4.500 -9.186 799 2HA GLY 114 2HA GLY 114 3.998 5.956 -9.905 800 H ARG 115 HN ARG 115 2.744 4.194 -7.012 801 HA ARG 115 HA ARG 115 3.104 6.671 -5.558 802 1HB ARG 115 2HB ARG 115 1.198 4.369 -5.425 803 2HB ARG 115 3HB ARG 115 1.661 5.027 -3.868 804 1HG ARG 115 2HG ARG 115 1.175 7.367 -5.136 805 2HG ARG 115 3HG ARG 115 0.143 6.341 -6.113 806 1HD ARG 115 2HD ARG 115 -0.920 5.480 -3.957 807 2HD ARG 115 3HD ARG 115 0.016 6.671 -3.078 808 HE ARG 115 HE ARG 115 -1.271 8.125 -5.098 809 1HH1 ARG 115 2HH2 ARG 115 -2.282 6.063 -2.432 810 2HH1 ARG 115 1HH2 ARG 115 -3.793 6.878 -2.207 811 1HH2 ARG 115 2HH1 ARG 115 -3.264 9.202 -4.800 812 2HH2 ARG 115 1HH1 ARG 115 -4.356 8.676 -3.563 813 H THR 116 HN THR 116 5.358 6.491 -5.009 814 HA THR 116 HA THR 116 6.432 4.110 -3.892 815 HB THR 116 HB THR 116 7.503 6.966 -3.688 816 HG1 THR 116 1HG THR 116 7.554 6.807 -5.892 817 1HG2 THR 116 1HG2 THR 116 9.379 4.940 -4.551 818 2HG2 THR 116 2HG2 THR 116 9.433 5.918 -3.065 819 3HG2 THR 116 3HG2 THR 116 8.576 4.358 -3.073 820 H LEU 117 HN LEU 117 4.338 4.009 -2.427 821 HA LEU 117 HA LEU 117 3.977 5.588 -0.255 822 1HB LEU 117 2HB LEU 117 2.477 3.821 -0.821 823 2HB LEU 117 3HB LEU 117 3.709 2.601 -0.568 824 HG LEU 117 HG LEU 117 3.613 3.834 1.896 825 1HD1 LEU 117 1HD1 LEU 117 1.069 4.328 0.522 826 2HD1 LEU 117 2HD1 LEU 117 0.894 3.503 2.089 827 3HD1 LEU 117 3HD1 LEU 117 1.748 5.062 1.994 828 1HD2 LEU 117 1HD2 LEU 117 2.876 1.791 2.686 829 2HD2 LEU 117 2HD2 LEU 117 1.806 1.512 1.291 830 3HD2 LEU 117 3HD2 LEU 117 3.570 1.352 1.106 831 H VAL 118 HN VAL 118 5.462 6.411 1.118 832 HA VAL 118 HA VAL 118 7.541 4.556 2.055 833 HB VAL 118 HB VAL 118 8.650 6.919 2.543 834 1HG1 VAL 118 1HG1 VAL 118 8.813 4.945 0.425 835 2HG1 VAL 118 2HG1 VAL 118 9.251 6.561 -0.179 836 3HG1 VAL 118 3HG1 VAL 118 10.110 5.870 1.218 837 1HG2 VAL 118 1HG2 VAL 118 7.251 7.569 -0.045 838 2HG2 VAL 118 2HG2 VAL 118 6.511 7.997 1.516 839 3HG2 VAL 118 3HG2 VAL 118 8.110 8.648 1.080 840 H VAL 119 HN VAL 119 6.592 3.764 3.920 841 HA VAL 119 HA VAL 119 4.872 5.038 5.585 842 HB VAL 119 HB VAL 119 7.099 3.199 6.468 843 1HG1 VAL 119 1HG1 VAL 119 6.001 3.794 8.411 844 2HG1 VAL 119 2HG1 VAL 119 4.435 4.008 7.592 845 3HG1 VAL 119 3HG1 VAL 119 5.057 2.371 7.911 846 1HG2 VAL 119 1HG2 VAL 119 5.129 1.470 5.997 847 2HG2 VAL 119 2HG2 VAL 119 4.684 2.689 4.779 848 3HG2 VAL 119 3HG2 VAL 119 6.295 1.933 4.735 849 H HIS 120 HN HIS 120 5.434 5.710 7.983 850 HA HIS 120 HA HIS 120 7.456 7.793 7.713 851 1HB HIS 120 2HB HIS 120 4.858 7.961 8.496 852 2HB HIS 120 3HB HIS 120 5.636 7.762 10.054 853 HD1 HIS 120 HD1 HIS 120 4.647 10.329 10.297 854 HD2 HIS 120 HD2 HIS 120 7.945 9.763 7.766 855 HE1 HIS 120 HE1 HIS 120 5.693 12.632 9.959 856 H GLU 121 HN GLU 121 9.386 7.610 8.738 857 HA GLU 121 HA GLU 121 10.230 5.376 9.939 858 1HB GLU 121 2HB GLU 121 11.723 7.202 9.252 859 2HB GLU 121 3HB GLU 121 11.096 8.242 10.515 860 1HG GLU 121 2HG GLU 121 11.840 6.168 12.079 861 2HG GLU 121 3HG GLU 121 12.935 5.867 10.745 862 H LYS 122 HN LYS 122 8.366 8.045 11.399 863 HA LYS 122 HA LYS 122 7.874 6.355 13.695 864 1HB LYS 122 2HB LYS 122 9.891 8.268 13.865 865 2HB LYS 122 3HB LYS 122 8.504 9.071 14.574 866 1HG LYS 122 2HG LYS 122 8.339 6.490 15.647 867 2HG LYS 122 3HG LYS 122 10.067 6.775 15.591 868 1HD LYS 122 2HD LYS 122 9.941 8.664 17.020 869 2HD LYS 122 3HD LYS 122 8.243 8.935 16.682 870 1HE LYS 122 2HE LYS 122 7.857 7.863 18.661 871 2HE LYS 122 3HE LYS 122 8.172 6.387 17.769 872 1HZ LYS 122 1HZ LYS 122 10.594 7.557 18.529 873 2HZ LYS 122 2HZ LYS 122 9.638 7.418 19.846 874 3HZ LYS 122 3HZ LYS 122 9.989 6.099 18.950 875 H ALA 123 HN ALA 123 6.226 7.683 15.204 876 HA ALA 123 HA ALA 123 3.950 8.056 13.667 877 1HB ALA 123 1HB ALA 123 4.565 9.123 16.452 878 2HB ALA 123 2HB ALA 123 2.952 8.830 15.760 879 3HB ALA 123 3HB ALA 123 4.041 7.461 16.089 880 H ASP 124 HN ASP 124 2.747 10.449 14.590 881 HA ASP 124 HA ASP 124 4.505 12.577 13.831 882 1HB ASP 124 2HB ASP 124 2.592 13.339 12.155 883 2HB ASP 124 3HB ASP 124 3.850 12.244 11.621 884 H ASP 125 HN ASP 125 4.020 13.518 15.898 885 HA ASP 125 HA ASP 125 1.478 13.545 16.992 886 1HB ASP 125 2HB ASP 125 4.092 14.450 17.672 887 2HB ASP 125 3HB ASP 125 3.072 15.872 17.772 888 H LEU 126 HN LEU 126 3.107 15.510 14.551 889 HA LEU 126 HA LEU 126 2.529 17.289 13.377 890 1HB LEU 126 2HB LEU 126 -0.175 16.158 14.047 891 2HB LEU 126 3HB LEU 126 -0.009 17.601 13.068 892 HG LEU 126 HG LEU 126 1.620 15.269 12.216 893 1HD1 LEU 126 1HD1 LEU 126 -0.929 14.876 11.033 894 2HD1 LEU 126 2HD1 LEU 126 -0.009 13.772 12.084 895 3HD1 LEU 126 3HD1 LEU 126 -1.160 14.927 12.798 896 1HD2 LEU 126 1HD2 LEU 126 0.951 17.717 11.145 897 2HD2 LEU 126 2HD2 LEU 126 1.632 16.334 10.255 898 3HD2 LEU 126 3HD2 LEU 126 -0.128 16.596 10.279 899 H GLY 127 HN GLY 127 2.825 17.380 16.465 900 1HA GLY 127 1HA GLY 127 2.528 20.165 16.734 901 2HA GLY 127 2HA GLY 127 1.162 19.377 17.500 902 H LYS 128 HN LYS 128 4.762 18.879 17.240 903 HA LYS 128 HA LYS 128 4.795 17.821 19.921 904 1HB LYS 128 2HB LYS 128 7.065 18.331 17.976 905 2HB LYS 128 3HB LYS 128 7.169 17.425 19.472 906 1HG LYS 128 2HG LYS 128 6.032 15.591 18.615 907 2HG LYS 128 3HG LYS 128 5.018 16.565 17.570 908 1HD LYS 128 2HD LYS 128 6.440 16.332 15.807 909 2HD LYS 128 3HD LYS 128 7.833 16.773 16.774 910 1HE LYS 128 2HE LYS 128 6.733 14.077 17.396 911 2HE LYS 128 3HE LYS 128 7.347 14.238 15.762 912 1HZ LYS 128 1HZ LYS 128 9.141 13.629 17.095 913 2HZ LYS 128 2HZ LYS 128 9.370 15.221 16.816 914 3HZ LYS 128 3HZ LYS 128 8.798 14.719 18.261 915 H GLY 129 HN GLY 129 6.951 20.298 18.394 916 1HA GLY 129 1HA GLY 129 6.174 22.322 20.285 917 2HA GLY 129 2HA GLY 129 7.722 21.590 20.659 918 H GLY 130 HN GLY 130 6.501 21.840 17.311 919 1HA GLY 130 1HA GLY 130 8.107 24.218 16.788 920 2HA GLY 130 2HA GLY 130 8.645 22.729 16.037 921 H ASN 131 HN ASN 131 8.119 24.288 14.093 922 HA ASN 131 HA ASN 131 5.577 23.399 13.116 923 1HB ASN 131 2HB ASN 131 6.249 26.301 13.663 924 2HB ASN 131 3HB ASN 131 5.305 25.934 12.233 925 1HD2 ASN 131 1HD2 ASN 131 5.009 26.956 15.234 926 2HD2 ASN 131 2HD2 ASN 131 3.482 26.296 15.718 927 H GLU 132 HN GLU 132 5.529 23.513 10.722 928 HA GLU 132 HA GLU 132 6.340 23.896 8.695 929 1HB GLU 132 2HB GLU 132 7.745 25.821 9.858 930 2HB GLU 132 3HB GLU 132 9.080 24.699 9.691 931 1HG GLU 132 2HG GLU 132 8.938 24.681 7.312 932 2HG GLU 132 3HG GLU 132 7.296 25.295 7.309 933 H GLN 133 HN GLN 133 6.910 21.655 10.873 934 HA GLN 133 HA GLN 133 8.592 20.133 9.057 935 1HB GLN 133 2HB GLN 133 9.294 20.945 11.745 936 2HB GLN 133 3HB GLN 133 9.111 19.202 11.718 937 1HG GLN 133 2HG GLN 133 10.799 18.914 10.072 938 2HG GLN 133 3HG GLN 133 10.677 20.570 9.512 939 1HE2 GLN 133 1HE2 GLN 133 12.557 18.485 11.140 940 2HE2 GLN 133 2HE2 GLN 133 13.448 19.545 12.182 941 H SER 134 HN SER 134 7.192 19.352 12.302 942 HA SER 134 HA SER 134 6.196 16.932 11.475 943 1HB SER 134 2HB SER 134 5.014 18.607 13.725 944 2HB SER 134 3HB SER 134 5.057 16.859 13.609 945 HG SER 134 HG SER 134 7.595 17.496 13.434 946 H THR 135 HN THR 135 4.936 20.205 11.132 947 HA THR 135 HA THR 135 2.204 19.580 10.856 948 HB THR 135 HB THR 135 2.208 21.875 9.741 949 HG1 THR 135 1HG THR 135 4.243 22.663 9.202 950 1HG2 THR 135 1HG2 THR 135 2.494 22.950 11.761 951 2HG2 THR 135 2HG2 THR 135 2.712 21.309 12.415 952 3HG2 THR 135 3HG2 THR 135 4.132 22.289 11.977 953 H LYS 136 HN LYS 136 4.969 19.453 8.606 954 HA LYS 136 HA LYS 136 3.132 18.817 6.438 955 1HB LYS 136 2HB LYS 136 5.122 19.005 5.009 956 2HB LYS 136 3HB LYS 136 4.850 20.455 5.953 957 1HG LYS 136 2HG LYS 136 6.685 20.055 7.371 958 2HG LYS 136 3HG LYS 136 6.650 18.323 7.107 959 1HD LYS 136 2HD LYS 136 7.783 18.463 5.054 960 2HD LYS 136 3HD LYS 136 7.239 20.099 4.740 961 1HE LYS 136 2HE LYS 136 8.908 21.066 6.052 962 2HE LYS 136 3HE LYS 136 8.992 19.703 7.151 963 1HZ LYS 136 1HZ LYS 136 10.804 20.123 5.346 964 2HZ LYS 136 2HZ LYS 136 10.393 18.606 5.788 965 3HZ LYS 136 3HZ LYS 136 9.796 19.245 4.409 966 H THR 137 HN THR 137 5.532 17.384 8.641 967 HA THR 137 HA THR 137 4.853 14.765 7.481 968 HB THR 137 HB THR 137 7.258 14.144 8.057 969 HG1 THR 137 1HG THR 137 8.573 16.187 8.376 970 1HG2 THR 137 1HG2 THR 137 6.986 16.576 6.210 971 2HG2 THR 137 2HG2 THR 137 8.342 15.423 6.222 972 3HG2 THR 137 3HG2 THR 137 6.724 14.887 5.711 973 H GLY 138 HN GLY 138 7.036 15.157 10.213 974 1HA GLY 138 1HA GLY 138 5.351 15.293 12.359 975 2HA GLY 138 2HA GLY 138 5.275 13.613 11.868 976 H ASN 139 HN ASN 139 8.083 15.877 11.607 977 HA ASN 139 HA ASN 139 10.143 15.678 12.274 978 1HB ASN 139 2HB ASN 139 8.620 15.940 14.532 979 2HB ASN 139 3HB ASN 139 9.389 14.409 14.900 980 1HD2 ASN 139 1HD2 ASN 139 9.627 17.292 15.860 981 2HD2 ASN 139 2HD2 ASN 139 11.328 17.620 15.888 982 H ALA 140 HN ALA 140 8.766 13.236 11.054 983 HA ALA 140 HA ALA 140 10.817 11.316 11.800 984 1HB ALA 140 1HB ALA 140 7.910 10.467 11.652 985 2HB ALA 140 2HB ALA 140 9.303 9.557 12.285 986 3HB ALA 140 3HB ALA 140 8.669 10.956 13.186 987 H GLY 141 HN GLY 141 10.010 13.216 9.526 988 1HA GLY 141 1HA GLY 141 9.094 11.539 7.392 989 2HA GLY 141 2HA GLY 141 9.713 13.175 7.281 990 H SER 142 HN SER 142 10.608 9.712 7.464 991 HA SER 142 HA SER 142 13.223 10.489 6.429 992 1HB SER 142 2HB SER 142 12.703 9.071 8.766 993 2HB SER 142 3HB SER 142 13.013 7.784 7.617 994 HG SER 142 HG SER 142 15.083 8.212 7.923 995 H ARG 143 HN ARG 143 10.255 9.361 5.542 996 HA ARG 143 HA ARG 143 9.487 8.320 3.810 997 1HB ARG 143 2HB ARG 143 12.249 8.914 2.996 998 2HB ARG 143 3HB ARG 143 11.679 7.444 2.231 999 1HG ARG 143 2HG ARG 143 10.089 8.544 0.970 1000 2HG ARG 143 3HG ARG 143 9.712 9.689 2.242 1001 1HD ARG 143 2HD ARG 143 12.353 9.803 0.724 1002 2HD ARG 143 3HD ARG 143 10.915 10.612 0.132 1003 HE ARG 143 HE ARG 143 10.958 12.083 2.042 1004 1HH1 ARG 143 2HH2 ARG 143 13.640 9.804 2.001 1005 2HH1 ARG 143 1HH2 ARG 143 14.580 10.694 3.153 1006 1HH2 ARG 143 2HH1 ARG 143 12.198 13.256 3.561 1007 2HH2 ARG 143 1HH1 ARG 143 13.755 12.670 4.046 1008 H LEU 144 HN LEU 144 12.636 6.549 3.699 1009 HA LEU 144 HA LEU 144 13.160 4.429 4.017 1010 1HB LEU 144 2HB LEU 144 10.909 4.270 6.015 1011 2HB LEU 144 3HB LEU 144 12.362 3.293 5.949 1012 HG LEU 144 HG LEU 144 12.120 6.204 6.728 1013 1HD1 LEU 144 1HD1 LEU 144 13.259 5.333 8.809 1014 2HD1 LEU 144 2HD1 LEU 144 11.588 4.779 8.545 1015 3HD1 LEU 144 3HD1 LEU 144 12.952 3.692 8.190 1016 1HD2 LEU 144 1HD2 LEU 144 14.073 6.202 5.412 1017 2HD2 LEU 144 2HD2 LEU 144 14.634 6.053 7.095 1018 3HD2 LEU 144 3HD2 LEU 144 14.597 4.620 6.039 1019 H ALA 145 HN ALA 145 12.718 2.374 3.133 1020 HA ALA 145 HA ALA 145 11.739 0.977 1.723 1021 1HB ALA 145 1HB ALA 145 9.024 1.746 2.783 1022 2HB ALA 145 2HB ALA 145 9.676 0.135 2.399 1023 3HB ALA 145 3HB ALA 145 10.205 0.981 3.873 1024 H CYS 146 HN CYS 146 10.044 0.776 -0.128 1025 HA CYS 146 HA CYS 146 9.078 3.298 -1.097 1026 1HB CYS 146 2HB CYS 146 10.278 3.085 -3.280 1027 2HB CYS 146 3HB CYS 146 11.262 3.586 -1.920 1028 H GLY 147 HN GLY 147 7.248 1.678 -0.486 1029 1HA GLY 147 1HA GLY 147 6.862 -0.662 -2.031 1030 2HA GLY 147 2HA GLY 147 5.667 0.186 -1.071 1031 H VAL 148 HN VAL 148 7.600 0.821 -4.095 1032 HA VAL 148 HA VAL 148 5.678 2.501 -5.226 1033 HB VAL 148 HB VAL 148 8.050 0.955 -6.193 1034 1HG1 VAL 148 1HG1 VAL 148 6.022 2.363 -7.949 1035 2HG1 VAL 148 2HG1 VAL 148 7.704 2.067 -8.452 1036 3HG1 VAL 148 3HG1 VAL 148 6.631 0.695 -8.083 1037 1HG2 VAL 148 1HG2 VAL 148 7.904 3.326 -4.981 1038 2HG2 VAL 148 2HG2 VAL 148 9.109 2.984 -6.246 1039 3HG2 VAL 148 3HG2 VAL 148 7.624 3.878 -6.649 1040 H ILE 149 HN ILE 149 3.824 2.136 -6.377 1041 HA ILE 149 HA ILE 149 2.930 -0.612 -6.492 1042 HB ILE 149 HB ILE 149 1.604 2.050 -6.980 1043 1HG1 ILE 149 2HG1 ILE 149 0.193 0.947 -5.012 1044 2HG1 ILE 149 3HG1 ILE 149 1.686 0.073 -4.736 1045 1HG2 ILE 149 1HG2 ILE 149 0.218 -0.635 -7.065 1046 2HG2 ILE 149 2HG2 ILE 149 -0.445 0.970 -7.458 1047 3HG2 ILE 149 3HG2 ILE 149 0.771 0.224 -8.523 1048 1HD1 ILE 149 1HD1 ILE 149 2.530 1.887 -3.683 1049 2HD1 ILE 149 2HD1 ILE 149 2.420 2.801 -5.206 1050 3HD1 ILE 149 3HD1 ILE 149 1.056 2.811 -4.062 1051 H GLY 150 HN GLY 150 3.468 -1.864 -8.193 1052 1HA GLY 150 1HA GLY 150 3.552 -0.563 -10.849 1053 2HA GLY 150 2HA GLY 150 4.745 -1.737 -10.330 1054 H ILE 151 HN ILE 151 2.940 -1.949 -12.642 1055 HA ILE 151 HA ILE 151 0.724 -3.536 -12.120 1056 HB ILE 151 HB ILE 151 2.525 -3.371 -14.537 1057 1HG1 ILE 151 2HG1 ILE 151 1.399 -1.259 -13.756 1058 2HG1 ILE 151 3HG1 ILE 151 1.020 -1.757 -15.392 1059 1HG2 ILE 151 1HG2 ILE 151 0.214 -5.084 -13.963 1060 2HG2 ILE 151 2HG2 ILE 151 0.044 -4.118 -15.448 1061 3HG2 ILE 151 3HG2 ILE 151 1.445 -5.196 -15.244 1062 1HD1 ILE 151 1HD1 ILE 151 -0.898 -3.062 -13.745 1063 2HD1 ILE 151 2HD1 ILE 151 -0.776 -1.394 -13.136 1064 3HD1 ILE 151 3HD1 ILE 151 -1.175 -1.690 -14.846 1065 H ALA 152 HN ALA 152 0.385 -5.741 -11.869 1066 HA ALA 152 HA ALA 152 2.736 -7.462 -12.007 1067 1HB ALA 152 1HB ALA 152 1.812 -6.405 -9.585 1068 2HB ALA 152 2HB ALA 152 1.091 -8.031 -9.655 1069 3HB ALA 152 3HB ALA 152 2.855 -7.833 -9.787 1070 H GLN 153 HN GLN 153 2.124 -9.785 -12.080 1071 HA GLN 153 HA GLN 153 -0.181 -10.074 -13.688 1072 1HB GLN 153 2HB GLN 153 0.514 -12.440 -13.844 1073 2HB GLN 153 3HB GLN 153 1.876 -11.370 -14.109 1074 1HG GLN 153 2HG GLN 153 1.514 -12.057 -11.256 1075 2HG GLN 153 3HG GLN 153 1.774 -13.470 -12.259 1076 1HE2 GLN 153 1HE2 GLN 153 3.691 -13.786 -13.314 1077 2HE2 GLN 153 2HE2 GLN 153 5.125 -12.861 -13.017 Start of MODEL 10 1 1H ALA 1 HN ALA 1 -9.595 -7.741 -12.905 2 HA ALA 1 HA ALA 1 -8.675 -7.028 -15.517 3 1HB ALA 1 1HB ALA 1 -10.269 -5.623 -14.327 4 2HB ALA 1 2HB ALA 1 -9.143 -5.444 -12.959 5 3HB ALA 1 3HB ALA 1 -8.748 -4.723 -14.538 6 H THR 2 HN THR 2 -7.233 -5.184 -12.947 7 HA THR 2 HA THR 2 -4.656 -6.527 -13.427 8 HB THR 2 HB THR 2 -5.325 -3.539 -13.354 9 HG1 THR 2 1HG THR 2 -4.345 -5.541 -15.258 10 1HG2 THR 2 1HG2 THR 2 -3.130 -3.583 -12.448 11 2HG2 THR 2 2HG2 THR 2 -2.704 -5.075 -13.318 12 3HG2 THR 2 3HG2 THR 2 -2.811 -3.532 -14.198 13 H LYS 3 HN LYS 3 -3.090 -6.370 -11.702 14 HA LYS 3 HA LYS 3 -4.222 -5.539 -9.146 15 1HB LYS 3 2HB LYS 3 -4.806 -7.802 -9.049 16 2HB LYS 3 3HB LYS 3 -3.354 -8.327 -9.876 17 1HG LYS 3 2HG LYS 3 -2.823 -6.843 -7.356 18 2HG LYS 3 3HG LYS 3 -3.716 -8.333 -7.121 19 1HD LYS 3 2HD LYS 3 -1.811 -9.225 -8.869 20 2HD LYS 3 3HD LYS 3 -0.912 -7.932 -8.100 21 1HE LYS 3 2HE LYS 3 -1.169 -8.903 -5.910 22 2HE LYS 3 3HE LYS 3 -2.435 -9.987 -6.450 23 1HZ LYS 3 1HZ LYS 3 -0.879 -11.212 -7.694 24 2HZ LYS 3 2HZ LYS 3 0.305 -10.105 -7.494 25 3HZ LYS 3 3HZ LYS 3 -0.205 -10.994 -6.222 26 H ALA 4 HN ALA 4 -2.835 -3.999 -8.462 27 HA ALA 4 HA ALA 4 -0.081 -4.110 -9.321 28 1HB ALA 4 1HB ALA 4 -0.331 -1.885 -9.176 29 2HB ALA 4 2HB ALA 4 -1.982 -2.114 -8.551 30 3HB ALA 4 3HB ALA 4 -0.609 -2.021 -7.423 31 H VAL 5 HN VAL 5 1.712 -3.859 -7.705 32 HA VAL 5 HA VAL 5 1.063 -4.904 -5.068 33 HB VAL 5 HB VAL 5 3.303 -6.173 -6.595 34 1HG1 VAL 5 1HG1 VAL 5 2.453 -8.119 -5.066 35 2HG1 VAL 5 2HG1 VAL 5 3.395 -6.786 -4.357 36 3HG1 VAL 5 3HG1 VAL 5 1.624 -6.815 -4.181 37 1HG2 VAL 5 1HG2 VAL 5 0.436 -7.170 -6.678 38 2HG2 VAL 5 2HG2 VAL 5 1.282 -6.382 -8.031 39 3HG2 VAL 5 3HG2 VAL 5 1.862 -7.945 -7.408 40 H ALA 6 HN ALA 6 2.833 -4.551 -3.514 41 HA ALA 6 HA ALA 6 4.980 -2.839 -4.455 42 1HB ALA 6 1HB ALA 6 3.703 -1.014 -3.947 43 2HB ALA 6 2HB ALA 6 2.621 -1.936 -2.877 44 3HB ALA 6 3HB ALA 6 4.210 -1.397 -2.284 45 H VAL 7 HN VAL 7 6.425 -4.510 -3.886 46 HA VAL 7 HA VAL 7 6.255 -5.624 -1.232 47 HB VAL 7 HB VAL 7 6.816 -7.051 -3.086 48 1HG1 VAL 7 1HG1 VAL 7 7.970 -6.242 -4.817 49 2HG1 VAL 7 2HG1 VAL 7 8.495 -4.828 -3.872 50 3HG1 VAL 7 3HG1 VAL 7 9.440 -6.336 -3.817 51 1HG2 VAL 7 1HG2 VAL 7 9.505 -7.065 -1.951 52 2HG2 VAL 7 2HG2 VAL 7 8.250 -6.878 -0.704 53 3HG2 VAL 7 3HG2 VAL 7 8.200 -8.267 -1.815 54 H LEU 8 HN LEU 8 6.619 -3.936 0.237 55 HA LEU 8 HA LEU 8 8.358 -1.880 0.033 56 1HB LEU 8 2HB LEU 8 7.428 -3.513 2.373 57 2HB LEU 8 3HB LEU 8 8.553 -2.189 2.601 58 HG LEU 8 HG LEU 8 6.161 -1.610 3.006 59 1HD1 LEU 8 1HD1 LEU 8 8.134 -0.153 1.530 60 2HD1 LEU 8 2HD1 LEU 8 6.517 0.286 0.929 61 3HD1 LEU 8 3HD1 LEU 8 6.898 0.450 2.660 62 1HD2 LEU 8 1HD2 LEU 8 4.728 -1.205 0.989 63 2HD2 LEU 8 2HD2 LEU 8 5.914 -2.126 0.034 64 3HD2 LEU 8 3HD2 LEU 8 5.032 -2.919 1.361 65 H LYS 9 HN LYS 9 10.541 -1.541 0.054 66 HA LYS 9 HA LYS 9 12.337 -3.363 1.240 67 1HB LYS 9 2HB LYS 9 11.600 -4.625 -0.850 68 2HB LYS 9 3HB LYS 9 12.413 -3.387 -1.785 69 1HG LYS 9 2HG LYS 9 14.554 -3.872 -0.645 70 2HG LYS 9 3HG LYS 9 13.764 -5.027 0.410 71 1HD LYS 9 2HD LYS 9 13.003 -6.015 -2.039 72 2HD LYS 9 3HD LYS 9 14.549 -5.306 -2.461 73 1HE LYS 9 2HE LYS 9 14.483 -6.937 0.058 74 2HE LYS 9 3HE LYS 9 14.295 -7.822 -1.442 75 1HZ LYS 9 1HZ LYS 9 16.630 -7.158 -0.451 76 2HZ LYS 9 2HZ LYS 9 16.381 -7.349 -2.054 77 3HZ LYS 9 3HZ LYS 9 16.394 -5.852 -1.402 78 H GLY 10 HN GLY 10 13.427 -1.705 2.205 79 1HA GLY 10 1HA GLY 10 15.045 -0.018 0.525 80 2HA GLY 10 2HA GLY 10 13.771 0.851 1.356 81 H ASP 11 HN ASP 11 13.810 1.086 3.653 82 HA ASP 11 HA ASP 11 16.093 1.531 4.853 83 1HB ASP 11 2HB ASP 11 13.703 1.779 5.770 84 2HB ASP 11 3HB ASP 11 13.810 0.111 6.296 85 H GLY 12 HN GLY 12 14.247 -1.573 5.418 86 1HA GLY 12 1HA GLY 12 16.022 -3.475 4.830 87 2HA GLY 12 2HA GLY 12 16.667 -2.888 6.350 88 HA PRO 13 HA PRO 13 13.524 -4.935 8.556 89 1HB PRO 13 2HB PRO 13 12.513 -3.164 10.376 90 2HB PRO 13 3HB PRO 13 14.053 -3.975 10.581 91 1HG PRO 13 2HG PRO 13 13.524 -1.168 9.818 92 2HG PRO 13 3HG PRO 13 15.003 -1.878 10.434 93 1HD PRO 13 2HD PRO 13 14.448 -1.160 7.713 94 2HD PRO 13 3HD PRO 13 15.879 -1.975 8.311 95 H VAL 14 HN VAL 14 12.366 -1.906 7.279 96 HA VAL 14 HA VAL 14 9.635 -2.648 7.487 97 HB VAL 14 HB VAL 14 11.175 -0.517 6.017 98 1HG1 VAL 14 1HG1 VAL 14 9.146 0.460 5.214 99 2HG1 VAL 14 2HG1 VAL 14 9.149 -1.243 4.697 100 3HG1 VAL 14 3HG1 VAL 14 8.152 -0.735 6.081 101 1HG2 VAL 14 1HG2 VAL 14 9.062 -0.102 8.124 102 2HG2 VAL 14 2HG2 VAL 14 10.723 -0.548 8.583 103 3HG2 VAL 14 3HG2 VAL 14 10.424 0.947 7.665 104 H GLN 15 HN GLN 15 9.229 -4.662 6.559 105 HA GLN 15 HA GLN 15 9.758 -4.751 3.690 106 1HB GLN 15 2HB GLN 15 11.105 -6.384 5.111 107 2HB GLN 15 3HB GLN 15 9.596 -7.158 5.552 108 1HG GLN 15 2HG GLN 15 9.284 -7.115 2.842 109 2HG GLN 15 3HG GLN 15 11.034 -7.156 2.919 110 1HE2 GLN 15 1HE2 GLN 15 8.097 -8.708 4.143 111 2HE2 GLN 15 2HE2 GLN 15 8.737 -10.309 4.312 112 H GLY 16 HN GLY 16 7.474 -3.469 4.510 113 1HA GLY 16 1HA GLY 16 5.229 -5.037 5.040 114 2HA GLY 16 2HA GLY 16 5.240 -3.459 4.278 115 H ILE 17 HN ILE 17 3.340 -5.330 3.479 116 HA ILE 17 HA ILE 17 4.227 -5.822 0.745 117 HB ILE 17 HB ILE 17 3.083 -7.875 2.624 118 1HG1 ILE 17 2HG1 ILE 17 5.355 -8.316 0.719 119 2HG1 ILE 17 3HG1 ILE 17 5.645 -7.382 2.173 120 1HG2 ILE 17 1HG2 ILE 17 3.220 -9.204 0.273 121 2HG2 ILE 17 2HG2 ILE 17 1.734 -8.467 0.919 122 3HG2 ILE 17 3HG2 ILE 17 2.702 -7.600 -0.297 123 1HD1 ILE 17 1HD1 ILE 17 5.051 -9.190 3.609 124 2HD1 ILE 17 2HD1 ILE 17 4.226 -10.067 2.298 125 3HD1 ILE 17 3HD1 ILE 17 6.002 -9.949 2.310 126 H ILE 18 HN ILE 18 2.981 -4.231 -0.177 127 HA ILE 18 HA ILE 18 0.135 -4.268 0.538 128 HB ILE 18 HB ILE 18 0.653 -2.134 0.979 129 1HG1 ILE 18 2HG1 ILE 18 0.162 -0.637 -0.876 130 2HG1 ILE 18 3HG1 ILE 18 0.516 -1.897 -2.040 131 1HG2 ILE 18 1HG2 ILE 18 3.007 -2.249 0.806 132 2HG2 ILE 18 2HG2 ILE 18 2.950 -2.411 -0.965 133 3HG2 ILE 18 3HG2 ILE 18 2.507 -0.868 -0.198 134 1HD1 ILE 18 1HD1 ILE 18 -1.969 -1.370 -0.707 135 2HD1 ILE 18 2HD1 ILE 18 -1.612 -2.647 -1.894 136 3HD1 ILE 18 3HD1 ILE 18 -1.389 -2.960 -0.155 137 H ASN 19 HN ASN 19 -1.398 -4.698 -1.017 138 HA ASN 19 HA ASN 19 -0.359 -5.018 -3.717 139 1HB ASN 19 2HB ASN 19 -2.546 -6.850 -3.311 140 2HB ASN 19 3HB ASN 19 -0.877 -7.241 -3.676 141 1HD2 ASN 19 1HD2 ASN 19 0.465 -7.980 -2.134 142 2HD2 ASN 19 2HD2 ASN 19 0.018 -8.305 -0.492 143 H PHE 20 HN PHE 20 -1.935 -4.474 -5.393 144 HA PHE 20 HA PHE 20 -4.345 -3.176 -4.330 145 1HB PHE 20 2HB PHE 20 -2.307 -2.588 -6.509 146 2HB PHE 20 3HB PHE 20 -3.952 -2.053 -6.788 147 HD1 PHE 20 1HD PHE 20 -1.705 -2.053 -3.796 148 HD2 PHE 20 2HD PHE 20 -4.171 0.202 -6.411 149 HE1 PHE 20 1HE PHE 20 -1.266 0.008 -2.432 150 HE2 PHE 20 2HE PHE 20 -3.732 2.263 -5.047 151 HZ PHE 20 HZ PHE 20 -2.285 2.141 -3.074 152 H GLU 21 HN GLU 21 -6.333 -3.724 -5.200 153 HA GLU 21 HA GLU 21 -6.243 -5.492 -7.511 154 1HB GLU 21 2HB GLU 21 -6.598 -6.695 -5.251 155 2HB GLU 21 3HB GLU 21 -8.160 -5.902 -5.185 156 1HG GLU 21 2HG GLU 21 -8.866 -7.772 -6.317 157 2HG GLU 21 3HG GLU 21 -8.289 -6.897 -7.721 158 H GLN 22 HN GLN 22 -7.638 -4.896 -9.138 159 HA GLN 22 HA GLN 22 -9.957 -3.346 -8.406 160 1HB GLN 22 2HB GLN 22 -8.314 -1.596 -8.818 161 2HB GLN 22 3HB GLN 22 -7.796 -2.353 -10.311 162 1HG GLN 22 2HG GLN 22 -10.645 -1.993 -10.488 163 2HG GLN 22 3HG GLN 22 -9.971 -0.487 -9.896 164 1HE2 GLN 22 1HE2 GLN 22 -9.729 0.873 -11.489 165 2HE2 GLN 22 2HE2 GLN 22 -9.074 0.549 -13.060 166 H LYS 23 HN LYS 23 -10.564 -5.728 -9.020 167 HA LYS 23 HA LYS 23 -10.410 -6.395 -11.781 168 1HB LYS 23 2HB LYS 23 -11.930 -7.572 -9.441 169 2HB LYS 23 3HB LYS 23 -11.994 -8.237 -11.061 170 1HG LYS 23 2HG LYS 23 -9.309 -8.083 -10.840 171 2HG LYS 23 3HG LYS 23 -9.682 -8.157 -9.129 172 1HD LYS 23 2HD LYS 23 -10.958 -10.142 -11.036 173 2HD LYS 23 3HD LYS 23 -9.314 -10.398 -10.487 174 1HE LYS 23 2HE LYS 23 -10.436 -9.898 -8.078 175 2HE LYS 23 3HE LYS 23 -11.877 -10.457 -8.904 176 1HZ LYS 23 1HZ LYS 23 -10.948 -12.372 -8.111 177 2HZ LYS 23 2HZ LYS 23 -10.360 -12.365 -9.635 178 3HZ LYS 23 3HZ LYS 23 -9.406 -11.912 -8.389 179 H GLU 24 HN GLU 24 -11.243 -4.056 -12.292 180 HA GLU 24 HA GLU 24 -13.980 -4.424 -13.031 181 1HB GLU 24 2HB GLU 24 -13.212 -2.675 -10.793 182 2HB GLU 24 3HB GLU 24 -14.064 -1.795 -12.046 183 1HG GLU 24 2HG GLU 24 -15.192 -4.467 -11.242 184 2HG GLU 24 3HG GLU 24 -15.356 -3.154 -10.093 185 H SER 25 HN SER 25 -11.181 -2.129 -12.808 186 HA SER 25 HA SER 25 -10.050 -1.214 -14.471 187 1HB SER 25 2HB SER 25 -11.381 -3.048 -15.963 188 2HB SER 25 3HB SER 25 -12.139 -1.598 -16.590 189 HG SER 25 HG SER 25 -9.617 -0.927 -16.600 190 H ASN 26 HN ASN 26 -13.291 -0.630 -13.505 191 HA ASN 26 HA ASN 26 -12.899 2.167 -13.930 192 1HB ASN 26 2HB ASN 26 -15.342 2.299 -14.898 193 2HB ASN 26 3HB ASN 26 -14.043 1.866 -15.992 194 1HD2 ASN 26 1HD2 ASN 26 -16.712 0.687 -14.057 195 2HD2 ASN 26 2HD2 ASN 26 -16.942 -0.832 -14.856 196 H GLY 27 HN GLY 27 -13.201 0.041 -11.754 197 1HA GLY 27 1HA GLY 27 -15.586 1.163 -10.406 198 2HA GLY 27 2HA GLY 27 -15.114 -0.520 -10.283 199 HA PRO 28 HA PRO 28 -13.078 1.561 -6.832 200 1HB PRO 28 2HB PRO 28 -13.843 -0.188 -4.876 201 2HB PRO 28 3HB PRO 28 -14.733 1.273 -5.257 202 1HG PRO 28 2HG PRO 28 -15.400 -1.530 -5.919 203 2HG PRO 28 3HG PRO 28 -16.448 -0.126 -5.906 204 1HD PRO 28 2HD PRO 28 -15.329 -1.412 -8.213 205 2HD PRO 28 3HD PRO 28 -16.282 0.059 -8.192 206 H VAL 29 HN VAL 29 -11.047 1.264 -5.989 207 HA VAL 29 HA VAL 29 -9.886 -1.272 -6.876 208 HB VAL 29 HB VAL 29 -8.465 1.246 -6.008 209 1HG1 VAL 29 1HG1 VAL 29 -6.674 -0.080 -6.188 210 2HG1 VAL 29 2HG1 VAL 29 -7.635 -1.399 -6.899 211 3HG1 VAL 29 3HG1 VAL 29 -6.976 -0.115 -7.942 212 1HG2 VAL 29 1HG2 VAL 29 -9.018 2.272 -7.907 213 2HG2 VAL 29 2HG2 VAL 29 -8.410 0.894 -8.856 214 3HG2 VAL 29 3HG2 VAL 29 -10.104 0.920 -8.308 215 H LYS 30 HN LYS 30 -10.131 -2.784 -5.281 216 HA LYS 30 HA LYS 30 -10.111 -2.035 -2.535 217 1HB LYS 30 2HB LYS 30 -10.312 -4.611 -4.072 218 2HB LYS 30 3HB LYS 30 -9.999 -4.653 -2.348 219 1HG LYS 30 2HG LYS 30 -12.020 -3.097 -2.047 220 2HG LYS 30 3HG LYS 30 -12.376 -3.346 -3.744 221 1HD LYS 30 2HD LYS 30 -12.241 -5.914 -3.155 222 2HD LYS 30 3HD LYS 30 -12.419 -5.383 -1.494 223 1HE LYS 30 2HE LYS 30 -14.571 -4.394 -1.921 224 2HE LYS 30 3HE LYS 30 -14.339 -4.436 -3.658 225 1HZ LYS 30 1HZ LYS 30 -15.749 -6.226 -2.587 226 2HZ LYS 30 2HZ LYS 30 -14.651 -6.705 -3.697 227 3HZ LYS 30 3HZ LYS 30 -14.347 -6.911 -2.106 228 H VAL 31 HN VAL 31 -8.223 -1.138 -1.793 229 HA VAL 31 HA VAL 31 -5.749 -2.549 -2.463 230 HB VAL 31 HB VAL 31 -6.181 0.172 -1.217 231 1HG1 VAL 31 1HG1 VAL 31 -4.018 -0.729 -0.628 232 2HG1 VAL 31 2HG1 VAL 31 -3.701 -1.190 -2.317 233 3HG1 VAL 31 3HG1 VAL 31 -3.797 0.530 -1.867 234 1HG2 VAL 31 1HG2 VAL 31 -6.996 0.531 -3.344 235 2HG2 VAL 31 2HG2 VAL 31 -5.261 0.832 -3.603 236 3HG2 VAL 31 3HG2 VAL 31 -5.972 -0.731 -4.071 237 H TRP 32 HN TRP 32 -4.369 -3.361 -0.839 238 HA TRP 32 HA TRP 32 -4.972 -2.963 1.914 239 1HB TRP 32 2HB TRP 32 -5.644 -5.179 2.507 240 2HB TRP 32 3HB TRP 32 -6.783 -4.518 1.351 241 HD1 TRP 32 HD1 TRP 32 -4.053 -7.234 1.606 242 HE1 TRP 32 HE1 TRP 32 -4.270 -8.991 -0.351 243 HE3 TRP 32 HE3 TRP 32 -7.638 -4.709 -0.968 244 HZ2 TRP 32 HZ2 TRP 32 -5.880 -9.125 -2.703 245 HZ3 TRP 32 HZ3 TRP 32 -8.478 -5.722 -3.086 246 HH2 TRP 32 HH2 TRP 32 -7.657 -7.852 -3.961 247 H GLY 33 HN GLY 33 -3.183 -3.671 3.197 248 1HA GLY 33 1HA GLY 33 -1.116 -5.294 1.980 249 2HA GLY 33 2HA GLY 33 -0.693 -3.606 2.186 250 H SER 34 HN SER 34 0.974 -4.892 3.625 251 HA SER 34 HA SER 34 0.087 -4.485 6.301 252 1HB SER 34 2HB SER 34 0.893 -6.802 7.032 253 2HB SER 34 3HB SER 34 -0.644 -6.755 6.191 254 HG SER 34 HG SER 34 0.344 -8.321 5.051 255 H ILE 35 HN ILE 35 1.771 -3.419 7.275 256 HA ILE 35 HA ILE 35 4.361 -3.530 6.008 257 HB ILE 35 HB ILE 35 2.860 -1.691 7.643 258 1HG1 ILE 35 2HG1 ILE 35 5.475 -1.063 6.314 259 2HG1 ILE 35 3HG1 ILE 35 4.105 -1.522 5.321 260 1HG2 ILE 35 1HG2 ILE 35 4.358 -2.577 9.431 261 2HG2 ILE 35 2HG2 ILE 35 5.753 -2.037 8.466 262 3HG2 ILE 35 3HG2 ILE 35 4.582 -0.846 9.081 263 1HD1 ILE 35 1HD1 ILE 35 2.773 0.254 6.735 264 2HD1 ILE 35 2HD1 ILE 35 4.389 0.865 7.164 265 3HD1 ILE 35 3HD1 ILE 35 3.878 0.820 5.460 266 H LYS 36 HN LYS 36 6.355 -3.706 7.490 267 HA LYS 36 HA LYS 36 5.990 -5.301 9.841 268 1HB LYS 36 2HB LYS 36 7.205 -6.564 7.366 269 2HB LYS 36 3HB LYS 36 7.304 -7.234 8.982 270 1HG LYS 36 2HG LYS 36 4.716 -7.108 9.037 271 2HG LYS 36 3HG LYS 36 4.792 -6.780 7.318 272 1HD LYS 36 2HD LYS 36 6.472 -8.988 7.558 273 2HD LYS 36 3HD LYS 36 5.256 -9.324 8.774 274 1HE LYS 36 2HE LYS 36 4.246 -8.358 6.116 275 2HE LYS 36 3HE LYS 36 4.944 -9.965 6.143 276 1HZ LYS 36 1HZ LYS 36 2.580 -8.986 7.492 277 2HZ LYS 36 2HZ LYS 36 2.836 -10.419 6.751 278 3HZ LYS 36 3HZ LYS 36 3.438 -10.153 8.246 279 H GLY 37 HN GLY 37 7.337 -4.244 11.193 280 1HA GLY 37 1HA GLY 37 9.915 -4.232 11.411 281 2HA GLY 37 2HA GLY 37 9.805 -3.100 10.078 282 H LEU 38 HN LEU 38 7.522 -1.598 10.667 283 HA LEU 38 HA LEU 38 8.482 0.264 12.447 284 1HB LEU 38 2HB LEU 38 5.817 -0.312 11.223 285 2HB LEU 38 3HB LEU 38 5.927 0.899 12.485 286 HG LEU 38 HG LEU 38 8.004 1.576 10.758 287 1HD1 LEU 38 1HD1 LEU 38 7.536 1.100 8.630 288 2HD1 LEU 38 2HD1 LEU 38 6.420 -0.128 9.273 289 3HD1 LEU 38 3HD1 LEU 38 5.809 1.483 8.828 290 1HD2 LEU 38 1HD2 LEU 38 6.268 2.980 12.014 291 2HD2 LEU 38 2HD2 LEU 38 6.821 3.570 10.428 292 3HD2 LEU 38 3HD2 LEU 38 5.239 2.767 10.577 293 H THR 39 HN THR 39 6.571 0.944 14.318 294 HA THR 39 HA THR 39 6.379 -1.435 16.035 295 HB THR 39 HB THR 39 7.074 0.169 17.923 296 HG1 THR 39 1HG THR 39 7.604 2.226 17.224 297 1HG2 THR 39 1HG2 THR 39 8.728 -1.409 16.641 298 2HG2 THR 39 2HG2 THR 39 9.219 0.058 15.761 299 3HG2 THR 39 3HG2 THR 39 9.429 -0.033 17.526 300 H GLU 40 HN GLU 40 4.536 -1.632 17.255 301 HA GLU 40 HA GLU 40 2.237 -0.717 16.386 302 1HB GLU 40 2HB GLU 40 1.332 -1.028 18.718 303 2HB GLU 40 3HB GLU 40 2.342 -2.351 18.169 304 1HG GLU 40 2HG GLU 40 4.020 -1.890 19.688 305 2HG GLU 40 3HG GLU 40 3.804 -0.155 19.568 306 H GLY 41 HN GLY 41 1.030 1.161 16.312 307 1HA GLY 41 1HA GLY 41 0.571 3.174 17.843 308 2HA GLY 41 2HA GLY 41 2.259 3.538 17.544 309 H LEU 42 HN LEU 42 1.430 5.576 16.562 310 HA LEU 42 HA LEU 42 -0.101 5.357 14.154 311 1HB LEU 42 2HB LEU 42 1.354 7.715 15.357 312 2HB LEU 42 3HB LEU 42 0.196 7.777 14.043 313 HG LEU 42 HG LEU 42 -1.240 8.322 15.686 314 1HD1 LEU 42 1HD1 LEU 42 -2.423 6.388 16.680 315 2HD1 LEU 42 2HD1 LEU 42 -2.116 6.199 14.937 316 3HD1 LEU 42 3HD1 LEU 42 -1.110 5.326 16.118 317 1HD2 LEU 42 1HD2 LEU 42 -0.740 8.412 17.883 318 2HD2 LEU 42 2HD2 LEU 42 -0.149 6.734 17.934 319 3HD2 LEU 42 3HD2 LEU 42 0.900 8.027 17.306 320 H HIS 43 HN HIS 43 0.608 5.632 12.011 321 HA HIS 43 HA HIS 43 3.475 5.884 11.633 322 1HB HIS 43 2HB HIS 43 1.825 3.563 10.597 323 2HB HIS 43 3HB HIS 43 3.432 3.960 10.022 324 HD1 HIS 43 HD1 HIS 43 4.639 4.656 12.910 325 HD2 HIS 43 HD2 HIS 43 2.520 1.189 11.869 326 HE1 HIS 43 HE1 HIS 43 5.331 2.864 14.590 327 H GLY 44 HN GLY 44 3.862 7.377 10.074 328 1HA GLY 44 1HA GLY 44 1.813 8.711 8.734 329 2HA GLY 44 2HA GLY 44 3.521 8.775 8.349 330 H PHE 45 HN PHE 45 1.844 8.965 6.221 331 HA PHE 45 HA PHE 45 2.226 6.369 4.940 332 1HB PHE 45 2HB PHE 45 -0.227 7.140 5.829 333 2HB PHE 45 3HB PHE 45 -0.203 8.115 4.373 334 HD1 PHE 45 1HD PHE 45 -0.543 7.136 2.233 335 HD2 PHE 45 2HD PHE 45 -0.088 4.652 5.643 336 HE1 PHE 45 1HE PHE 45 -1.312 5.156 0.894 337 HE2 PHE 45 2HE PHE 45 -0.857 2.673 4.305 338 HZ PHE 45 HZ PHE 45 -1.459 2.949 1.946 339 H HIS 46 HN HIS 46 4.184 7.792 4.294 340 HA HIS 46 HA HIS 46 3.920 10.053 2.772 341 1HB HIS 46 2HB HIS 46 5.971 7.837 2.781 342 2HB HIS 46 3HB HIS 46 6.132 9.235 1.736 343 HD1 HIS 46 HD1 HIS 46 8.330 8.954 3.714 344 HD2 HIS 46 HD2 HIS 46 4.745 10.907 4.677 345 HE1 HIS 46 HE1 HIS 46 8.857 10.482 5.689 346 H VAL 47 HN VAL 47 4.665 10.050 0.279 347 HA VAL 47 HA VAL 47 3.616 7.890 -1.256 348 HB VAL 47 HB VAL 47 2.013 10.392 -0.832 349 1HG1 VAL 47 1HG1 VAL 47 2.396 8.907 -3.385 350 2HG1 VAL 47 2HG1 VAL 47 0.725 9.337 -2.946 351 3HG1 VAL 47 3HG1 VAL 47 1.961 10.609 -3.098 352 1HG2 VAL 47 1HG2 VAL 47 1.548 7.429 -0.720 353 2HG2 VAL 47 2HG2 VAL 47 1.080 8.702 0.432 354 3HG2 VAL 47 3HG2 VAL 47 0.184 8.509 -1.094 355 H HIS 48 HN HIS 48 5.974 8.205 -1.754 356 HA HIS 48 HA HIS 48 7.101 10.437 -2.759 357 1HB HIS 48 2HB HIS 48 8.804 9.074 -3.254 358 2HB HIS 48 3HB HIS 48 7.830 7.829 -2.497 359 HD1 HIS 48 HD1 HIS 48 5.842 7.054 -4.642 360 HD2 HIS 48 HD2 HIS 48 9.860 7.917 -5.484 361 HE1 HIS 48 HE1 HIS 48 6.372 5.902 -6.856 362 H GLU 49 HN GLU 49 7.676 10.967 -5.113 363 HA GLU 49 HA GLU 49 5.180 10.965 -6.566 364 1HB GLU 49 2HB GLU 49 7.338 12.829 -6.203 365 2HB GLU 49 3HB GLU 49 7.258 12.448 -7.912 366 1HG GLU 49 2HG GLU 49 4.802 12.958 -7.903 367 2HG GLU 49 3HG GLU 49 4.895 13.355 -6.198 368 H GLU 50 HN GLU 50 6.289 11.367 -9.213 369 HA GLU 50 HA GLU 50 7.173 8.637 -9.679 370 1HB GLU 50 2HB GLU 50 5.688 10.657 -11.393 371 2HB GLU 50 3HB GLU 50 6.446 9.248 -12.109 372 1HG GLU 50 2HG GLU 50 4.666 7.982 -11.511 373 2HG GLU 50 3HG GLU 50 4.996 8.312 -9.822 374 H GLU 51 HN GLU 51 8.595 8.457 -11.811 375 HA GLU 51 HA GLU 51 10.130 10.617 -12.583 376 1HB GLU 51 2HB GLU 51 10.891 9.886 -10.042 377 2HB GLU 51 3HB GLU 51 11.971 8.892 -10.999 378 1HG GLU 51 2HG GLU 51 11.617 11.887 -11.468 379 2HG GLU 51 3HG GLU 51 12.849 11.226 -10.411 380 H ASP 52 HN ASP 52 10.423 7.087 -11.761 381 HA ASP 52 HA ASP 52 11.262 5.420 -12.909 382 1HB ASP 52 2HB ASP 52 9.716 6.663 -15.228 383 2HB ASP 52 3HB ASP 52 10.100 4.965 -15.029 384 H ASN 53 HN ASN 53 13.539 6.046 -13.031 385 HA ASN 53 HA ASN 53 14.640 6.086 -15.495 386 1HB ASN 53 2HB ASN 53 13.863 8.815 -14.554 387 2HB ASN 53 3HB ASN 53 15.525 8.689 -15.093 388 1HD2 ASN 53 1HD2 ASN 53 14.390 10.275 -16.623 389 2HD2 ASN 53 2HD2 ASN 53 13.799 9.626 -18.116 390 H THR 54 HN THR 54 15.270 4.747 -13.219 391 HA THR 54 HA THR 54 17.911 5.710 -12.592 392 HB THR 54 HB THR 54 16.920 6.952 -10.844 393 HG1 THR 54 1HG THR 54 16.948 4.231 -9.768 394 1HG2 THR 54 1HG2 THR 54 14.554 6.070 -11.248 395 2HG2 THR 54 2HG2 THR 54 15.006 4.622 -10.317 396 3HG2 THR 54 3HG2 THR 54 14.989 6.218 -9.528 397 H ALA 55 HN ALA 55 15.280 3.357 -11.805 398 HA ALA 55 HA ALA 55 16.506 1.151 -12.770 399 1HB ALA 55 1HB ALA 55 17.822 2.087 -10.329 400 2HB ALA 55 2HB ALA 55 17.194 0.431 -10.155 401 3HB ALA 55 3HB ALA 55 18.322 0.821 -11.476 402 H GLY 56 HN GLY 56 15.402 1.657 -9.351 403 1HA GLY 56 1HA GLY 56 12.701 0.891 -9.979 404 2HA GLY 56 2HA GLY 56 13.614 -0.385 -9.199 405 H CYS 57 HN CYS 57 15.022 0.472 -7.206 406 HA CYS 57 HA CYS 57 13.791 2.667 -5.833 407 1HB CYS 57 2HB CYS 57 12.238 0.749 -5.412 408 2HB CYS 57 3HB CYS 57 13.557 -0.095 -4.625 409 H THR 58 HN THR 58 15.947 3.520 -5.866 410 HA THR 58 HA THR 58 17.726 2.230 -3.944 411 HB THR 58 HB THR 58 19.621 2.381 -5.525 412 HG1 THR 58 1HG THR 58 18.940 4.174 -6.792 413 1HG2 THR 58 1HG2 THR 58 17.406 1.222 -7.245 414 2HG2 THR 58 2HG2 THR 58 19.065 0.623 -7.009 415 3HG2 THR 58 3HG2 THR 58 17.849 0.402 -5.729 416 H SER 59 HN SER 59 19.886 4.143 -4.761 417 HA SER 59 HA SER 59 18.633 6.471 -3.534 418 1HB SER 59 2HB SER 59 21.290 5.135 -3.200 419 2HB SER 59 3HB SER 59 21.304 6.886 -3.144 420 HG SER 59 HG SER 59 19.228 6.196 -1.631 421 H ALA 60 HN ALA 60 17.935 7.174 -5.730 422 HA ALA 60 HA ALA 60 20.151 7.988 -7.458 423 1HB ALA 60 1HB ALA 60 17.173 8.048 -8.055 424 2HB ALA 60 2HB ALA 60 18.528 8.081 -9.209 425 3HB ALA 60 3HB ALA 60 18.174 6.596 -8.295 426 H GLY 61 HN GLY 61 17.113 9.232 -5.911 427 1HA GLY 61 1HA GLY 61 18.044 11.535 -4.864 428 2HA GLY 61 2HA GLY 61 17.810 11.964 -6.547 429 HA PRO 62 HA PRO 62 13.584 10.866 -4.650 430 1HB PRO 62 2HB PRO 62 13.385 10.740 -1.927 431 2HB PRO 62 3HB PRO 62 13.568 9.322 -2.941 432 1HG PRO 62 2HG PRO 62 15.577 10.643 -1.222 433 2HG PRO 62 3HG PRO 62 15.601 9.025 -1.894 434 1HD PRO 62 2HD PRO 62 17.091 11.292 -2.825 435 2HD PRO 62 3HD PRO 62 17.025 9.705 -3.565 436 H HIS 63 HN HIS 63 12.950 12.801 -5.499 437 HA HIS 63 HA HIS 63 13.471 15.119 -3.875 438 1HB HIS 63 2HB HIS 63 12.873 14.554 -6.645 439 2HB HIS 63 3HB HIS 63 11.767 15.769 -6.036 440 HD1 HIS 63 HD1 HIS 63 13.423 17.022 -8.008 441 HD2 HIS 63 HD2 HIS 63 14.926 16.413 -4.139 442 HE1 HIS 63 HE1 HIS 63 15.368 18.650 -7.733 443 H PHE 64 HN PHE 64 10.424 14.064 -5.538 444 HA PHE 64 HA PHE 64 8.313 14.465 -4.909 445 1HB PHE 64 2HB PHE 64 9.024 13.185 -2.256 446 2HB PHE 64 3HB PHE 64 7.733 12.752 -3.360 447 HD1 PHE 64 1HD PHE 64 9.370 12.446 -5.876 448 HD2 PHE 64 2HD PHE 64 10.043 11.100 -1.908 449 HE1 PHE 64 1HE PHE 64 10.758 10.549 -6.755 450 HE2 PHE 64 2HE PHE 64 11.432 9.203 -2.788 451 HZ PHE 64 HZ PHE 64 11.773 8.950 -5.201 452 H ASN 65 HN ASN 65 7.359 14.450 -2.044 453 HA ASN 65 HA ASN 65 8.529 16.823 -0.962 454 1HB ASN 65 2HB ASN 65 6.880 17.752 -2.595 455 2HB ASN 65 3HB ASN 65 5.610 16.768 -1.895 456 1HD2 ASN 65 1HD2 ASN 65 8.184 18.977 -0.795 457 2HD2 ASN 65 2HD2 ASN 65 7.224 19.896 0.316 458 HA PRO 66 HA PRO 66 6.583 13.767 1.883 459 1HB PRO 66 2HB PRO 66 8.826 12.958 3.218 460 2HB PRO 66 3HB PRO 66 8.160 12.090 1.849 461 1HG PRO 66 2HG PRO 66 10.554 13.821 1.959 462 2HG PRO 66 3HG PRO 66 10.116 12.629 0.752 463 1HD PRO 66 2HD PRO 66 9.898 15.479 0.508 464 2HD PRO 66 3HD PRO 66 9.354 14.283 -0.652 465 H LEU 67 HN LEU 67 6.345 16.465 2.065 466 HA LEU 67 HA LEU 67 6.662 16.728 4.940 467 1HB LEU 67 2HB LEU 67 7.680 18.916 4.782 468 2HB LEU 67 3HB LEU 67 8.709 17.678 4.089 469 HG LEU 67 HG LEU 67 7.167 18.710 1.948 470 1HD1 LEU 67 1HD1 LEU 67 6.753 20.625 3.576 471 2HD1 LEU 67 2HD1 LEU 67 8.488 20.992 3.419 472 3HD1 LEU 67 3HD1 LEU 67 7.434 21.048 1.986 473 1HD2 LEU 67 1HD2 LEU 67 9.190 18.165 1.171 474 2HD2 LEU 67 2HD2 LEU 67 9.669 19.808 1.658 475 3HD2 LEU 67 3HD2 LEU 67 9.974 18.433 2.746 476 H SER 68 HN SER 68 4.597 16.408 2.585 477 HA SER 68 HA SER 68 2.723 17.345 1.896 478 1HB SER 68 2HB SER 68 1.338 18.085 4.122 479 2HB SER 68 3HB SER 68 1.570 16.417 3.638 480 HG SER 68 HG SER 68 2.641 16.110 5.455 481 H ARG 69 HN ARG 69 4.972 19.266 1.969 482 HA ARG 69 HA ARG 69 5.232 21.370 1.495 483 1HB ARG 69 2HB ARG 69 2.328 21.970 2.220 484 2HB ARG 69 3HB ARG 69 3.371 22.902 1.165 485 1HG ARG 69 2HG ARG 69 3.511 20.764 -0.313 486 2HG ARG 69 3HG ARG 69 2.171 20.154 0.638 487 1HD ARG 69 2HD ARG 69 0.685 21.420 -0.526 488 2HD ARG 69 3HD ARG 69 1.587 22.884 -0.187 489 HE ARG 69 HE ARG 69 1.763 21.239 -2.617 490 1HH1 ARG 69 2HH2 ARG 69 3.331 23.705 -0.657 491 2HH1 ARG 69 1HH2 ARG 69 4.287 24.318 -1.964 492 1HH2 ARG 69 2HH1 ARG 69 3.024 22.048 -4.342 493 2HH2 ARG 69 1HH1 ARG 69 4.111 23.369 -4.075 494 H LYS 70 HN LYS 70 2.874 21.034 4.249 495 HA LYS 70 HA LYS 70 4.750 21.893 6.152 496 1HB LYS 70 2HB LYS 70 3.654 24.028 4.706 497 2HB LYS 70 3HB LYS 70 2.740 23.998 6.201 498 1HG LYS 70 2HG LYS 70 4.651 24.341 7.543 499 2HG LYS 70 3HG LYS 70 5.746 23.694 6.338 500 1HD LYS 70 2HD LYS 70 6.041 25.731 5.364 501 2HD LYS 70 3HD LYS 70 4.318 26.040 5.303 502 1HE LYS 70 2HE LYS 70 4.813 27.667 6.849 503 2HE LYS 70 3HE LYS 70 4.723 26.340 7.989 504 1HZ LYS 70 1HZ LYS 70 7.003 26.159 8.043 505 2HZ LYS 70 2HZ LYS 70 7.236 26.941 6.628 506 3HZ LYS 70 3HZ LYS 70 6.795 27.776 7.961 507 H HIS 71 HN HIS 71 3.706 22.065 8.354 508 HA HIS 71 HA HIS 71 1.535 20.155 8.420 509 1HB HIS 71 2HB HIS 71 3.121 19.489 9.929 510 2HB HIS 71 3HB HIS 71 3.617 21.125 10.317 511 HD1 HIS 71 HD1 HIS 71 2.135 22.452 12.079 512 HD2 HIS 71 HD2 HIS 71 1.120 18.414 11.565 513 HE1 HIS 71 HE1 HIS 71 0.639 21.834 14.051 514 H GLY 72 HN GLY 72 -0.549 20.813 8.480 515 1HA GLY 72 1HA GLY 72 -1.314 23.027 10.175 516 2HA GLY 72 2HA GLY 72 -1.491 23.340 8.460 517 H GLY 73 HN GLY 73 -3.153 22.348 7.264 518 1HA GLY 73 1HA GLY 73 -5.186 21.014 8.892 519 2HA GLY 73 2HA GLY 73 -5.391 21.728 7.305 520 HA PRO 74 HA PRO 74 -4.183 17.164 7.117 521 1HB PRO 74 2HB PRO 74 -6.319 15.721 8.025 522 2HB PRO 74 3HB PRO 74 -4.894 16.036 8.995 523 1HG PRO 74 2HG PRO 74 -7.573 17.269 9.184 524 2HG PRO 74 3HG PRO 74 -6.289 17.247 10.376 525 1HD PRO 74 2HD PRO 74 -7.030 19.448 8.693 526 2HD PRO 74 3HD PRO 74 -5.674 19.386 9.801 527 H LYS 75 HN LYS 75 -4.435 18.288 4.996 528 HA LYS 75 HA LYS 75 -5.116 17.805 2.904 529 1HB LYS 75 2HB LYS 75 -6.428 16.037 2.423 530 2HB LYS 75 3HB LYS 75 -6.207 15.662 4.120 531 1HG LYS 75 2HG LYS 75 -8.326 17.323 4.376 532 2HG LYS 75 3HG LYS 75 -8.615 16.811 2.725 533 1HD LYS 75 2HD LYS 75 -7.927 14.470 4.274 534 2HD LYS 75 3HD LYS 75 -9.145 15.363 5.162 535 1HE LYS 75 2HE LYS 75 -10.561 15.450 3.071 536 2HE LYS 75 3HE LYS 75 -9.358 14.482 2.242 537 1HZ LYS 75 1HZ LYS 75 -11.237 13.696 4.276 538 2HZ LYS 75 2HZ LYS 75 -10.654 12.845 3.009 539 3HZ LYS 75 3HZ LYS 75 -9.763 12.999 4.369 540 H ASP 76 HN ASP 76 -5.734 20.058 4.792 541 HA ASP 76 HA ASP 76 -8.080 21.032 3.358 542 1HB ASP 76 2HB ASP 76 -7.900 20.693 6.077 543 2HB ASP 76 3HB ASP 76 -7.285 22.328 5.938 544 H GLU 77 HN GLU 77 -5.393 22.322 5.470 545 HA GLU 77 HA GLU 77 -4.980 24.380 3.459 546 1HB GLU 77 2HB GLU 77 -5.206 24.495 6.269 547 2HB GLU 77 3HB GLU 77 -3.497 24.734 5.964 548 1HG GLU 77 2HG GLU 77 -4.484 26.373 4.036 549 2HG GLU 77 3HG GLU 77 -5.832 26.445 5.153 550 H GLU 78 HN GLU 78 -3.949 21.390 3.760 551 HA GLU 78 HA GLU 78 -1.547 21.832 2.476 552 1HB GLU 78 2HB GLU 78 -1.349 21.877 5.383 553 2HB GLU 78 3HB GLU 78 -0.450 20.514 4.745 554 1HG GLU 78 2HG GLU 78 1.164 21.858 3.860 555 2HG GLU 78 3HG GLU 78 -0.014 22.925 3.121 556 H ARG 79 HN ARG 79 -0.140 19.439 3.159 557 HA ARG 79 HA ARG 79 -0.137 17.301 2.844 558 1HB ARG 79 2HB ARG 79 -2.772 17.695 4.166 559 2HB ARG 79 3HB ARG 79 -2.686 16.226 3.215 560 1HG ARG 79 2HG ARG 79 -1.785 15.385 5.167 561 2HG ARG 79 3HG ARG 79 -0.301 15.999 4.467 562 1HD ARG 79 2HD ARG 79 -0.162 17.778 5.954 563 2HD ARG 79 3HD ARG 79 -1.901 17.978 6.052 564 HE ARG 79 HE ARG 79 -0.933 15.478 7.252 565 1HH1 ARG 79 2HH2 ARG 79 -1.634 18.881 7.810 566 2HH1 ARG 79 1HH2 ARG 79 -1.819 18.693 9.522 567 1HH2 ARG 79 2HH1 ARG 79 -1.177 15.230 9.511 568 2HH2 ARG 79 1HH1 ARG 79 -1.557 16.603 10.496 569 H HIS 80 HN HIS 80 -1.226 15.434 1.428 570 HA HIS 80 HA HIS 80 -2.313 14.765 -0.405 571 1HB HIS 80 2HB HIS 80 -3.787 16.972 0.101 572 2HB HIS 80 3HB HIS 80 -3.045 17.467 -1.407 573 HD1 HIS 80 HD1 HIS 80 -3.152 15.139 -3.224 574 HD2 HIS 80 HD2 HIS 80 -6.212 15.876 -0.451 575 HE1 HIS 80 HE1 HIS 80 -5.216 13.917 -4.095 576 H VAL 81 HN VAL 81 0.446 16.261 0.068 577 HA VAL 81 HA VAL 81 1.236 15.984 -2.722 578 HB VAL 81 HB VAL 81 1.771 18.409 -0.998 579 1HG1 VAL 81 1HG1 VAL 81 2.725 18.737 -3.672 580 2HG1 VAL 81 2HG1 VAL 81 3.644 18.772 -2.148 581 3HG1 VAL 81 3HG1 VAL 81 3.416 17.234 -3.014 582 1HG2 VAL 81 1HG2 VAL 81 -0.451 18.297 -2.156 583 2HG2 VAL 81 2HG2 VAL 81 0.572 19.661 -2.667 584 3HG2 VAL 81 3HG2 VAL 81 0.418 18.225 -3.708 585 H GLY 82 HN GLY 82 1.819 13.892 -1.487 586 1HA GLY 82 1HA GLY 82 4.051 12.942 -1.303 587 2HA GLY 82 2HA GLY 82 4.479 14.274 -0.248 588 H ASP 83 HN ASP 83 2.434 14.528 1.550 589 HA ASP 83 HA ASP 83 2.704 12.053 2.983 590 1HB ASP 83 2HB ASP 83 2.944 14.549 3.863 591 2HB ASP 83 3HB ASP 83 1.196 14.490 3.973 592 H LEU 84 HN LEU 84 0.698 11.124 4.105 593 HA LEU 84 HA LEU 84 -1.833 11.895 2.928 594 1HB LEU 84 2HB LEU 84 -0.585 10.143 1.468 595 2HB LEU 84 3HB LEU 84 -1.020 9.013 2.734 596 HG LEU 84 HG LEU 84 -3.187 10.713 1.567 597 1HD1 LEU 84 1HD1 LEU 84 -1.486 9.092 -0.061 598 2HD1 LEU 84 2HD1 LEU 84 -3.086 8.318 0.045 599 3HD1 LEU 84 3HD1 LEU 84 -2.947 10.001 -0.517 600 1HD2 LEU 84 1HD2 LEU 84 -4.334 9.396 2.945 601 2HD2 LEU 84 2HD2 LEU 84 -4.021 8.070 1.800 602 3HD2 LEU 84 3HD2 LEU 84 -2.941 8.314 3.193 603 H GLY 85 HN GLY 85 -1.127 12.480 5.463 604 1HA GLY 85 1HA GLY 85 -1.865 12.254 7.576 605 2HA GLY 85 2HA GLY 85 -3.029 11.075 7.003 606 H ASN 86 HN ASN 86 -2.588 9.925 9.070 607 HA ASN 86 HA ASN 86 -0.148 8.351 8.806 608 1HB ASN 86 2HB ASN 86 -1.478 9.523 11.287 609 2HB ASN 86 3HB ASN 86 -0.428 8.126 11.420 610 1HD2 ASN 86 1HD2 ASN 86 1.014 9.321 12.674 611 2HD2 ASN 86 2HD2 ASN 86 2.117 10.469 11.993 612 H VAL 87 HN VAL 87 -0.508 6.235 10.374 613 HA VAL 87 HA VAL 87 -3.289 5.356 10.108 614 HB VAL 87 HB VAL 87 -2.638 3.286 9.153 615 1HG1 VAL 87 1HG1 VAL 87 -1.799 3.957 6.987 616 2HG1 VAL 87 2HG1 VAL 87 -2.867 5.237 7.612 617 3HG1 VAL 87 3HG1 VAL 87 -1.100 5.444 7.672 618 1HG2 VAL 87 1HG2 VAL 87 -0.130 3.798 10.356 619 2HG2 VAL 87 2HG2 VAL 87 -0.641 2.345 9.464 620 3HG2 VAL 87 3HG2 VAL 87 0.165 3.679 8.604 621 H THR 88 HN THR 88 -2.231 2.605 10.974 622 HA THR 88 HA THR 88 -1.123 3.107 13.584 623 HB THR 88 HB THR 88 -4.046 2.342 13.145 624 HG1 THR 88 1HG THR 88 -2.439 4.215 14.734 625 1HG2 THR 88 1HG2 THR 88 -4.076 2.031 15.669 626 2HG2 THR 88 2HG2 THR 88 -3.208 0.735 14.811 627 3HG2 THR 88 3HG2 THR 88 -2.296 2.020 15.639 628 H ALA 89 HN ALA 89 0.005 1.377 14.340 629 HA ALA 89 HA ALA 89 0.173 -0.861 12.521 630 1HB ALA 89 1HB ALA 89 1.782 0.332 14.733 631 2HB ALA 89 2HB ALA 89 1.927 -1.427 14.503 632 3HB ALA 89 3HB ALA 89 2.304 -0.319 13.161 633 H ASP 90 HN ASP 90 0.523 -3.107 13.790 634 HA ASP 90 HA ASP 90 -2.004 -3.534 15.041 635 1HB ASP 90 2HB ASP 90 -1.306 -5.238 13.512 636 2HB ASP 90 3HB ASP 90 0.313 -5.297 14.181 637 H LYS 91 HN LYS 91 0.871 -5.403 16.016 638 HA LYS 91 HA LYS 91 0.973 -4.017 18.581 639 1HB LYS 91 2HB LYS 91 0.702 -5.995 19.865 640 2HB LYS 91 3HB LYS 91 -0.648 -5.926 18.750 641 1HG LYS 91 2HG LYS 91 0.754 -7.426 17.174 642 2HG LYS 91 3HG LYS 91 1.848 -7.660 18.523 643 1HD LYS 91 2HD LYS 91 0.286 -8.883 19.771 644 2HD LYS 91 3HD LYS 91 -1.092 -8.102 19.020 645 1HE LYS 91 2HE LYS 91 -0.073 -9.336 16.821 646 2HE LYS 91 3HE LYS 91 0.540 -10.430 18.044 647 1HZ LYS 91 1HZ LYS 91 -1.557 -11.004 18.675 648 2HZ LYS 91 2HZ LYS 91 -2.249 -9.615 18.166 649 3HZ LYS 91 3HZ LYS 91 -1.806 -10.752 17.081 650 H ASP 92 HN ASP 92 2.551 -4.602 15.889 651 HA ASP 92 HA ASP 92 5.048 -4.746 17.259 652 1HB ASP 92 2HB ASP 92 3.949 -7.027 15.698 653 2HB ASP 92 3HB ASP 92 5.562 -6.552 15.207 654 H GLY 93 HN GLY 93 3.337 -2.924 15.526 655 1HA GLY 93 1HA GLY 93 4.067 -1.257 14.097 656 2HA GLY 93 2HA GLY 93 5.389 -2.271 13.554 657 H VAL 94 HN VAL 94 3.737 -4.691 13.084 658 HA VAL 94 HA VAL 94 3.230 -4.541 10.468 659 HB VAL 94 HB VAL 94 1.478 -6.030 12.429 660 1HG1 VAL 94 1HG1 VAL 94 0.796 -7.339 10.711 661 2HG1 VAL 94 2HG1 VAL 94 1.232 -5.919 9.729 662 3HG1 VAL 94 3HG1 VAL 94 2.375 -7.274 9.891 663 1HG2 VAL 94 1HG2 VAL 94 3.313 -7.861 11.910 664 2HG2 VAL 94 2HG2 VAL 94 4.341 -6.434 11.632 665 3HG2 VAL 94 3HG2 VAL 94 3.550 -6.668 13.209 666 H ALA 95 HN ALA 95 2.303 -2.768 9.503 667 HA ALA 95 HA ALA 95 -0.323 -1.953 10.528 668 1HB ALA 95 1HB ALA 95 0.139 0.145 9.253 669 2HB ALA 95 2HB ALA 95 1.360 -0.184 10.506 670 3HB ALA 95 3HB ALA 95 1.728 -0.515 8.796 671 H ASP 96 HN ASP 96 -2.058 -2.708 9.433 672 HA ASP 96 HA ASP 96 -1.580 -3.535 6.687 673 1HB ASP 96 2HB ASP 96 -3.373 -5.075 6.939 674 2HB ASP 96 3HB ASP 96 -2.524 -5.151 8.470 675 H VAL 97 HN VAL 97 -3.287 -2.957 5.064 676 HA VAL 97 HA VAL 97 -4.966 -0.709 5.927 677 HB VAL 97 HB VAL 97 -3.289 -0.937 3.421 678 1HG1 VAL 97 1HG1 VAL 97 -5.240 1.239 4.249 679 2HG1 VAL 97 2HG1 VAL 97 -4.164 1.285 2.832 680 3HG1 VAL 97 3HG1 VAL 97 -5.466 0.075 2.922 681 1HG2 VAL 97 1HG2 VAL 97 -2.428 -0.150 5.861 682 2HG2 VAL 97 2HG2 VAL 97 -1.806 0.518 4.332 683 3HG2 VAL 97 3HG2 VAL 97 -3.057 1.397 5.243 684 H SER 98 HN SER 98 -6.881 -0.373 4.485 685 HA SER 98 HA SER 98 -7.528 -2.413 2.655 686 1HB SER 98 2HB SER 98 -9.520 -3.297 3.923 687 2HB SER 98 3HB SER 98 -7.977 -3.765 4.611 688 HG SER 98 HG SER 98 -9.509 -3.017 6.231 689 H ILE 99 HN ILE 99 -7.973 -0.619 1.280 690 HA ILE 99 HA ILE 99 -10.308 0.959 2.111 691 HB ILE 99 HB ILE 99 -7.882 1.813 0.532 692 1HG1 ILE 99 2HG1 ILE 99 -8.803 3.340 2.892 693 2HG1 ILE 99 3HG1 ILE 99 -8.202 1.732 3.243 694 1HG2 ILE 99 1HG2 ILE 99 -10.587 3.087 0.851 695 2HG2 ILE 99 2HG2 ILE 99 -9.129 4.087 0.647 696 3HG2 ILE 99 3HG2 ILE 99 -9.580 2.905 -0.605 697 1HD1 ILE 99 1HD1 ILE 99 -6.220 2.971 3.303 698 2HD1 ILE 99 2HD1 ILE 99 -6.220 2.426 1.608 699 3HD1 ILE 99 3HD1 ILE 99 -6.751 4.076 2.013 700 H GLU 100 HN GLU 100 -11.855 1.463 0.444 701 HA GLU 100 HA GLU 100 -11.445 0.045 -2.043 702 1HB GLU 100 2HB GLU 100 -13.734 -0.968 -1.897 703 2HB GLU 100 3HB GLU 100 -12.628 -1.599 -0.693 704 1HG GLU 100 2HG GLU 100 -13.795 0.658 0.549 705 2HG GLU 100 3HG GLU 100 -15.122 -0.093 -0.316 706 H ASP 101 HN ASP 101 -11.270 2.100 -3.072 707 HA ASP 101 HA ASP 101 -13.800 3.548 -3.093 708 1HB ASP 101 2HB ASP 101 -11.106 4.482 -2.450 709 2HB ASP 101 3HB ASP 101 -11.709 5.333 -3.858 710 H SER 102 HN SER 102 -14.170 4.717 -5.227 711 HA SER 102 HA SER 102 -12.643 3.437 -7.359 712 1HB SER 102 2HB SER 102 -14.708 3.507 -8.735 713 2HB SER 102 3HB SER 102 -14.933 2.552 -7.283 714 HG SER 102 HG SER 102 -16.516 3.861 -6.709 715 H VAL 103 HN VAL 103 -12.120 6.006 -5.937 716 HA VAL 103 HA VAL 103 -12.930 8.010 -7.876 717 HB VAL 103 HB VAL 103 -11.413 8.151 -5.264 718 1HG1 VAL 103 1HG1 VAL 103 -10.837 9.933 -6.999 719 2HG1 VAL 103 2HG1 VAL 103 -12.516 10.499 -6.825 720 3HG1 VAL 103 3HG1 VAL 103 -11.421 10.514 -5.421 721 1HG2 VAL 103 1HG2 VAL 103 -14.249 8.131 -5.958 722 2HG2 VAL 103 2HG2 VAL 103 -13.458 7.978 -4.370 723 3HG2 VAL 103 3HG2 VAL 103 -13.788 9.590 -5.049 724 H ILE 104 HN ILE 104 -10.065 6.182 -6.745 725 HA ILE 104 HA ILE 104 -8.319 7.699 -8.465 726 HB ILE 104 HB ILE 104 -6.572 6.510 -7.493 727 1HG1 ILE 104 2HG1 ILE 104 -7.562 4.245 -7.913 728 2HG1 ILE 104 3HG1 ILE 104 -6.695 4.405 -6.398 729 1HG2 ILE 104 1HG2 ILE 104 -8.799 7.009 -5.523 730 2HG2 ILE 104 2HG2 ILE 104 -7.188 6.460 -5.001 731 3HG2 ILE 104 3HG2 ILE 104 -7.363 8.001 -5.875 732 1HD1 ILE 104 1HD1 ILE 104 -9.663 4.157 -6.874 733 2HD1 ILE 104 2HD1 ILE 104 -8.640 3.342 -5.666 734 3HD1 ILE 104 3HD1 ILE 104 -9.101 5.046 -5.438 735 H SER 105 HN SER 105 -6.647 5.785 -9.567 736 HA SER 105 HA SER 105 -8.198 3.826 -10.904 737 1HB SER 105 2HB SER 105 -8.910 5.624 -12.322 738 2HB SER 105 3HB SER 105 -7.307 6.331 -12.373 739 HG SER 105 HG SER 105 -7.027 5.206 -14.166 740 H LEU 106 HN LEU 106 -6.696 2.754 -12.713 741 HA LEU 106 HA LEU 106 -4.082 2.501 -11.464 742 1HB LEU 106 2HB LEU 106 -5.846 0.805 -13.133 743 2HB LEU 106 3HB LEU 106 -4.123 0.620 -13.395 744 HG LEU 106 HG LEU 106 -3.811 0.139 -10.987 745 1HD1 LEU 106 1HD1 LEU 106 -5.959 1.448 -10.371 746 2HD1 LEU 106 2HD1 LEU 106 -6.794 -0.092 -10.684 747 3HD1 LEU 106 3HD1 LEU 106 -5.530 -0.004 -9.434 748 1HD2 LEU 106 1HD2 LEU 106 -3.955 -1.757 -12.379 749 2HD2 LEU 106 2HD2 LEU 106 -5.038 -2.088 -11.006 750 3HD2 LEU 106 3HD2 LEU 106 -5.716 -1.585 -12.574 751 H SER 107 HN SER 107 -5.649 3.335 -14.600 752 HA SER 107 HA SER 107 -3.300 4.850 -15.235 753 1HB SER 107 2HB SER 107 -3.273 2.318 -16.186 754 2HB SER 107 3HB SER 107 -4.245 3.049 -17.447 755 HG SER 107 HG SER 107 -1.833 3.049 -17.757 756 H GLY 108 HN GLY 108 -4.923 6.564 -14.873 757 1HA GLY 108 1HA GLY 108 -6.448 7.103 -17.303 758 2HA GLY 108 2HA GLY 108 -7.360 6.962 -15.813 759 H ASP 109 HN ASP 109 -7.340 8.637 -14.288 760 HA ASP 109 HA ASP 109 -5.749 10.937 -15.108 761 1HB ASP 109 2HB ASP 109 -8.505 10.618 -13.931 762 2HB ASP 109 3HB ASP 109 -7.598 12.046 -13.472 763 H HIS 110 HN HIS 110 -6.852 8.777 -12.473 764 HA HIS 110 HA HIS 110 -4.913 10.082 -10.703 765 1HB HIS 110 2HB HIS 110 -7.643 8.942 -10.125 766 2HB HIS 110 3HB HIS 110 -6.433 9.058 -8.864 767 HD1 HIS 110 HD1 HIS 110 -7.549 11.547 -11.578 768 HD2 HIS 110 HD2 HIS 110 -6.976 11.304 -7.429 769 HE1 HIS 110 HE1 HIS 110 -8.084 13.861 -10.645 770 H SER 111 HN SER 111 -3.521 8.498 -12.088 771 HA SER 111 HA SER 111 -3.860 5.760 -11.626 772 1HB SER 111 2HB SER 111 -1.616 5.541 -12.632 773 2HB SER 111 3HB SER 111 -2.607 6.650 -13.558 774 HG SER 111 HG SER 111 -1.031 8.065 -13.295 775 H ILE 112 HN ILE 112 -3.294 4.523 -9.862 776 HA ILE 112 HA ILE 112 -2.000 5.871 -7.663 777 HB ILE 112 HB ILE 112 -2.752 4.122 -6.337 778 1HG1 ILE 112 2HG1 ILE 112 -1.797 2.285 -7.691 779 2HG1 ILE 112 3HG1 ILE 112 -3.401 1.929 -7.081 780 1HG2 ILE 112 1HG2 ILE 112 -4.577 5.165 -8.361 781 2HG2 ILE 112 2HG2 ILE 112 -5.121 3.616 -7.673 782 3HG2 ILE 112 3HG2 ILE 112 -4.784 4.996 -6.601 783 1HD1 ILE 112 1HD1 ILE 112 -3.453 1.237 -9.362 784 2HD1 ILE 112 2HD1 ILE 112 -4.292 2.806 -9.355 785 3HD1 ILE 112 3HD1 ILE 112 -2.605 2.702 -9.911 786 H ILE 113 HN ILE 113 -0.936 4.394 -10.459 787 HA ILE 113 HA ILE 113 1.131 2.768 -9.372 788 HB ILE 113 HB ILE 113 0.754 3.929 -12.135 789 1HG1 ILE 113 2HG1 ILE 113 -0.274 1.438 -10.797 790 2HG1 ILE 113 3HG1 ILE 113 -1.141 2.613 -11.765 791 1HG2 ILE 113 1HG2 ILE 113 2.352 2.363 -12.921 792 2HG2 ILE 113 2HG2 ILE 113 3.092 3.190 -11.529 793 3HG2 ILE 113 3HG2 ILE 113 2.437 1.546 -11.342 794 1HD1 ILE 113 1HD1 ILE 113 0.012 1.870 -13.805 795 2HD1 ILE 113 2HD1 ILE 113 1.030 0.762 -12.853 796 3HD1 ILE 113 3HD1 ILE 113 -0.720 0.466 -12.991 797 H GLY 114 HN GLY 114 3.424 3.208 -9.379 798 1HA GLY 114 1HA GLY 114 5.249 4.480 -9.047 799 2HA GLY 114 2HA GLY 114 4.505 5.728 -10.026 800 H ARG 115 HN ARG 115 2.783 4.485 -7.187 801 HA ARG 115 HA ARG 115 3.425 7.001 -5.869 802 1HB ARG 115 2HB ARG 115 0.862 5.350 -5.926 803 2HB ARG 115 3HB ARG 115 1.136 6.552 -4.680 804 1HG ARG 115 2HG ARG 115 1.448 8.308 -6.428 805 2HG ARG 115 3HG ARG 115 1.206 7.110 -7.684 806 1HD ARG 115 2HD ARG 115 -1.002 7.682 -7.573 807 2HD ARG 115 3HD ARG 115 -1.049 6.718 -6.110 808 HE ARG 115 HE ARG 115 -0.107 9.375 -5.497 809 1HH1 ARG 115 2HH2 ARG 115 -3.039 7.611 -6.317 810 2HH1 ARG 115 1HH2 ARG 115 -4.089 8.730 -5.513 811 1HH2 ARG 115 2HH1 ARG 115 -1.491 10.850 -4.436 812 2HH2 ARG 115 1HH1 ARG 115 -3.203 10.584 -4.435 813 H THR 116 HN THR 116 5.326 5.320 -5.260 814 HA THR 116 HA THR 116 4.825 3.234 -3.488 815 HB THR 116 HB THR 116 6.982 4.130 -4.817 816 HG1 THR 116 1HG THR 116 8.141 2.897 -2.952 817 1HG2 THR 116 1HG2 THR 116 7.897 4.829 -2.053 818 2HG2 THR 116 2HG2 THR 116 8.445 5.471 -3.620 819 3HG2 THR 116 3HG2 THR 116 6.946 6.085 -2.882 820 H LEU 117 HN LEU 117 5.554 3.184 -1.132 821 HA LEU 117 HA LEU 117 4.725 5.659 0.200 822 1HB LEU 117 2HB LEU 117 3.302 4.519 1.681 823 2HB LEU 117 3HB LEU 117 2.848 4.035 0.059 824 HG LEU 117 HG LEU 117 2.732 2.084 1.365 825 1HD1 LEU 117 1HD1 LEU 117 5.475 1.759 0.165 826 2HD1 LEU 117 2HD1 LEU 117 4.130 0.595 0.243 827 3HD1 LEU 117 3HD1 LEU 117 4.036 1.992 -0.857 828 1HD2 LEU 117 1HD2 LEU 117 4.845 3.304 2.874 829 2HD2 LEU 117 2HD2 LEU 117 3.790 1.937 3.307 830 3HD2 LEU 117 3HD2 LEU 117 5.314 1.643 2.434 831 H VAL 118 HN VAL 118 6.405 6.380 1.382 832 HA VAL 118 HA VAL 118 8.193 4.337 2.507 833 HB VAL 118 HB VAL 118 9.414 6.891 2.500 834 1HG1 VAL 118 1HG1 VAL 118 10.255 4.407 2.189 835 2HG1 VAL 118 2HG1 VAL 118 10.083 4.795 0.460 836 3HG1 VAL 118 3HG1 VAL 118 11.158 5.772 1.489 837 1HG2 VAL 118 1HG2 VAL 118 7.888 7.683 0.820 838 2HG2 VAL 118 2HG2 VAL 118 9.445 7.339 0.028 839 3HG2 VAL 118 3HG2 VAL 118 8.089 6.198 -0.141 840 H VAL 119 HN VAL 119 6.649 4.116 4.313 841 HA VAL 119 HA VAL 119 5.735 6.156 5.880 842 HB VAL 119 HB VAL 119 5.966 4.352 7.734 843 1HG1 VAL 119 1HG1 VAL 119 4.302 3.006 5.837 844 2HG1 VAL 119 2HG1 VAL 119 3.826 4.074 7.179 845 3HG1 VAL 119 3HG1 VAL 119 4.151 4.759 5.568 846 1HG2 VAL 119 1HG2 VAL 119 7.762 3.181 6.172 847 2HG2 VAL 119 2HG2 VAL 119 6.664 2.229 7.199 848 3HG2 VAL 119 3HG2 VAL 119 6.313 2.427 5.465 849 H HIS 120 HN HIS 120 6.495 7.263 7.747 850 HA HIS 120 HA HIS 120 9.346 7.635 7.699 851 1HB HIS 120 2HB HIS 120 8.845 9.461 9.315 852 2HB HIS 120 3HB HIS 120 8.018 9.609 7.777 853 HD1 HIS 120 HD1 HIS 120 6.359 11.213 9.199 854 HD2 HIS 120 HD2 HIS 120 6.232 7.122 10.117 855 HE1 HIS 120 HE1 HIS 120 4.194 10.838 10.495 856 H GLU 121 HN GLU 121 10.589 7.714 9.819 857 HA GLU 121 HA GLU 121 9.840 5.351 11.314 858 1HB GLU 121 2HB GLU 121 12.148 5.625 10.261 859 2HB GLU 121 3HB GLU 121 12.461 6.903 11.419 860 1HG GLU 121 2HG GLU 121 11.619 5.005 13.158 861 2HG GLU 121 3HG GLU 121 12.180 3.942 11.883 862 H LYS 122 HN LYS 122 8.076 7.203 12.035 863 HA LYS 122 HA LYS 122 8.209 7.478 14.688 864 1HB LYS 122 2HB LYS 122 10.028 9.419 13.445 865 2HB LYS 122 3HB LYS 122 8.853 10.163 14.510 866 1HG LYS 122 2HG LYS 122 10.104 7.659 15.558 867 2HG LYS 122 3HG LYS 122 11.200 9.013 15.367 868 1HD LYS 122 2HD LYS 122 8.877 10.137 16.539 869 2HD LYS 122 3HD LYS 122 9.089 8.605 17.363 870 1HE LYS 122 2HE LYS 122 11.680 9.473 17.378 871 2HE LYS 122 3HE LYS 122 10.863 11.023 17.362 872 1HZ LYS 122 1HZ LYS 122 10.449 10.737 19.487 873 2HZ LYS 122 2HZ LYS 122 9.551 9.408 19.180 874 3HZ LYS 122 3HZ LYS 122 11.148 9.261 19.488 875 H ALA 123 HN ALA 123 6.501 8.921 15.558 876 HA ALA 123 HA ALA 123 4.479 9.321 13.505 877 1HB ALA 123 1HB ALA 123 3.181 8.473 15.129 878 2HB ALA 123 2HB ALA 123 4.551 8.485 16.266 879 3HB ALA 123 3HB ALA 123 3.507 9.918 16.114 880 H ASP 124 HN ASP 124 3.861 11.308 12.772 881 HA ASP 124 HA ASP 124 5.421 13.505 13.353 882 1HB ASP 124 2HB ASP 124 2.775 13.040 11.976 883 2HB ASP 124 3HB ASP 124 3.230 14.696 12.328 884 H ASP 125 HN ASP 125 2.874 11.990 15.117 885 HA ASP 125 HA ASP 125 1.775 12.484 16.918 886 1HB ASP 125 2HB ASP 125 4.127 13.502 17.505 887 2HB ASP 125 3HB ASP 125 3.360 15.056 17.251 888 H LEU 126 HN LEU 126 1.065 13.665 14.218 889 HA LEU 126 HA LEU 126 -0.315 15.119 13.284 890 1HB LEU 126 2HB LEU 126 -1.474 14.678 15.997 891 2HB LEU 126 3HB LEU 126 -2.182 15.922 14.986 892 HG LEU 126 HG LEU 126 -1.776 13.157 13.877 893 1HD1 LEU 126 1HD1 LEU 126 -3.950 12.454 14.692 894 2HD1 LEU 126 2HD1 LEU 126 -2.881 12.854 16.058 895 3HD1 LEU 126 3HD1 LEU 126 -4.154 13.995 15.559 896 1HD2 LEU 126 1HD2 LEU 126 -2.420 14.809 12.276 897 2HD2 LEU 126 2HD2 LEU 126 -3.839 13.787 12.605 898 3HD2 LEU 126 3HD2 LEU 126 -3.724 15.409 13.329 899 H GLY 127 HN GLY 127 2.192 16.076 14.794 900 1HA GLY 127 1HA GLY 127 2.822 18.395 14.210 901 2HA GLY 127 2HA GLY 127 1.371 18.909 15.048 902 H LYS 128 HN LYS 128 4.612 17.447 15.427 903 HA LYS 128 HA LYS 128 4.668 16.905 18.088 904 1HB LYS 128 2HB LYS 128 6.494 17.008 16.037 905 2HB LYS 128 3HB LYS 128 7.074 18.284 17.088 906 1HG LYS 128 2HG LYS 128 6.352 16.112 18.803 907 2HG LYS 128 3HG LYS 128 7.226 15.400 17.462 908 1HD LYS 128 2HD LYS 128 9.213 16.479 17.989 909 2HD LYS 128 3HD LYS 128 8.405 17.908 18.602 910 1HE LYS 128 2HE LYS 128 8.065 16.981 20.735 911 2HE LYS 128 3HE LYS 128 8.071 15.333 20.140 912 1HZ LYS 128 1HZ LYS 128 10.103 16.199 21.366 913 2HZ LYS 128 2HZ LYS 128 10.352 15.329 20.007 914 3HZ LYS 128 3HZ LYS 128 10.491 16.956 19.972 915 H GLY 129 HN GLY 129 4.615 20.074 16.464 916 1HA GLY 129 1HA GLY 129 3.694 21.938 17.583 917 2HA GLY 129 2HA GLY 129 4.286 21.319 19.112 918 H GLY 130 HN GLY 130 6.797 20.629 17.080 919 1HA GLY 130 1HA GLY 130 8.433 22.726 18.073 920 2HA GLY 130 2HA GLY 130 8.866 21.504 16.894 921 H ASN 131 HN ASN 131 10.061 23.370 15.869 922 HA ASN 131 HA ASN 131 8.299 24.569 13.932 923 1HB ASN 131 2HB ASN 131 9.976 26.087 15.945 924 2HB ASN 131 3HB ASN 131 9.848 26.748 14.327 925 1HD2 ASN 131 1HD2 ASN 131 7.780 27.239 13.460 926 2HD2 ASN 131 2HD2 ASN 131 6.438 27.627 14.484 927 H GLU 132 HN GLU 132 9.312 24.416 11.907 928 HA GLU 132 HA GLU 132 10.930 24.440 10.411 929 1HB GLU 132 2HB GLU 132 12.278 25.781 12.250 930 2HB GLU 132 3HB GLU 132 13.141 24.271 12.470 931 1HG GLU 132 2HG GLU 132 13.918 24.252 10.193 932 2HG GLU 132 3HG GLU 132 12.766 25.478 9.702 933 H GLN 133 HN GLN 133 10.402 22.202 12.924 934 HA GLN 133 HA GLN 133 11.845 20.165 11.411 935 1HB GLN 133 2HB GLN 133 12.470 20.758 13.928 936 2HB GLN 133 3HB GLN 133 11.072 19.771 14.304 937 1HG GLN 133 2HG GLN 133 12.845 18.204 14.306 938 2HG GLN 133 3HG GLN 133 12.128 17.985 12.722 939 1HE2 GLN 133 1HE2 GLN 133 14.850 19.078 14.538 940 2HE2 GLN 133 2HE2 GLN 133 15.935 19.399 13.226 941 H SER 134 HN SER 134 9.032 20.640 13.675 942 HA SER 134 HA SER 134 7.739 18.377 12.498 943 1HB SER 134 2HB SER 134 5.907 19.750 14.166 944 2HB SER 134 3HB SER 134 6.832 18.316 14.562 945 HG SER 134 HG SER 134 8.089 19.472 15.854 946 H THR 135 HN THR 135 7.724 21.915 12.271 947 HA THR 135 HA THR 135 5.179 22.128 11.008 948 HB THR 135 HB THR 135 6.878 23.849 12.278 949 HG1 THR 135 1HG THR 135 4.589 24.083 11.526 950 1HG2 THR 135 1HG2 THR 135 7.967 25.323 10.763 951 2HG2 THR 135 2HG2 THR 135 8.367 23.724 10.092 952 3HG2 THR 135 3HG2 THR 135 7.065 24.695 9.364 953 H LYS 136 HN LYS 136 7.986 20.621 9.991 954 HA LYS 136 HA LYS 136 7.494 21.372 7.200 955 1HB LYS 136 2HB LYS 136 9.739 21.777 7.572 956 2HB LYS 136 3HB LYS 136 9.915 20.456 8.709 957 1HG LYS 136 2HG LYS 136 10.381 18.937 7.064 958 2HG LYS 136 3HG LYS 136 9.099 19.528 6.024 959 1HD LYS 136 2HD LYS 136 11.025 20.092 4.794 960 2HD LYS 136 3HD LYS 136 10.668 21.596 5.619 961 1HE LYS 136 2HE LYS 136 12.265 20.737 7.499 962 2HE LYS 136 3HE LYS 136 12.790 19.534 6.337 963 1HZ LYS 136 1HZ LYS 136 14.173 21.436 6.185 964 2HZ LYS 136 2HZ LYS 136 13.283 21.373 4.817 965 3HZ LYS 136 3HZ LYS 136 12.907 22.448 5.988 966 H THR 137 HN THR 137 8.350 18.471 9.223 967 HA THR 137 HA THR 137 6.604 16.917 7.426 968 HB THR 137 HB THR 137 8.215 15.015 8.024 969 HG1 THR 137 1HG THR 137 10.214 15.836 9.018 970 1HG2 THR 137 1HG2 THR 137 10.284 16.568 6.937 971 2HG2 THR 137 2HG2 THR 137 9.083 15.653 5.995 972 3HG2 THR 137 3HG2 THR 137 8.814 17.378 6.344 973 H GLY 138 HN GLY 138 7.612 17.685 10.750 974 1HA GLY 138 1HA GLY 138 5.724 17.628 12.322 975 2HA GLY 138 2HA GLY 138 5.345 16.034 11.698 976 H ASN 139 HN ASN 139 8.741 16.530 11.703 977 HA ASN 139 HA ASN 139 10.349 16.105 13.154 978 1HB ASN 139 2HB ASN 139 8.547 16.729 15.012 979 2HB ASN 139 3HB ASN 139 8.434 14.995 15.240 980 1HD2 ASN 139 1HD2 ASN 139 10.208 17.839 15.822 981 2HD2 ASN 139 2HD2 ASN 139 11.557 17.167 16.676 982 H ALA 140 HN ALA 140 8.788 14.282 11.269 983 HA ALA 140 HA ALA 140 10.128 11.857 11.953 984 1HB ALA 140 1HB ALA 140 7.167 11.496 11.646 985 2HB ALA 140 2HB ALA 140 8.353 10.496 12.519 986 3HB ALA 140 3HB ALA 140 7.783 12.026 13.229 987 H GLY 141 HN GLY 141 11.111 12.609 9.913 988 1HA GLY 141 1HA GLY 141 9.573 11.616 7.627 989 2HA GLY 141 2HA GLY 141 10.145 13.272 7.569 990 H SER 142 HN SER 142 11.184 9.843 7.907 991 HA SER 142 HA SER 142 13.723 10.678 6.749 992 1HB SER 142 2HB SER 142 13.308 9.508 9.335 993 2HB SER 142 3HB SER 142 14.066 8.282 8.337 994 HG SER 142 HG SER 142 15.146 10.910 8.179 995 H ARG 143 HN ARG 143 10.894 9.204 6.137 996 HA ARG 143 HA ARG 143 10.179 7.703 4.759 997 1HB ARG 143 2HB ARG 143 13.003 8.061 3.714 998 2HB ARG 143 3HB ARG 143 11.994 6.815 3.007 999 1HG ARG 143 2HG ARG 143 11.188 8.468 1.658 1000 2HG ARG 143 3HG ARG 143 10.247 8.967 3.049 1001 1HD ARG 143 2HD ARG 143 13.057 9.979 3.016 1002 2HD ARG 143 3HD ARG 143 12.040 10.593 1.728 1003 HE ARG 143 HE ARG 143 10.554 10.758 4.156 1004 1HH1 ARG 143 2HH2 ARG 143 13.393 12.206 2.664 1005 2HH1 ARG 143 1HH2 ARG 143 13.235 13.705 3.517 1006 1HH2 ARG 143 2HH1 ARG 143 10.345 12.735 5.282 1007 2HH2 ARG 143 1HH1 ARG 143 11.489 14.008 5.017 1008 H LEU 144 HN LEU 144 10.985 5.290 3.701 1009 HA LEU 144 HA LEU 144 12.543 3.825 5.615 1010 1HB LEU 144 2HB LEU 144 9.563 3.705 5.586 1011 2HB LEU 144 3HB LEU 144 10.450 2.211 5.814 1012 HG LEU 144 HG LEU 144 10.680 4.690 7.544 1013 1HD1 LEU 144 1HD1 LEU 144 8.903 2.367 7.608 1014 2HD1 LEU 144 2HD1 LEU 144 9.792 2.615 9.130 1015 3HD1 LEU 144 3HD1 LEU 144 8.793 3.927 8.459 1016 1HD2 LEU 144 1HD2 LEU 144 12.803 3.650 7.581 1017 2HD2 LEU 144 2HD2 LEU 144 11.968 3.122 9.062 1018 3HD2 LEU 144 3HD2 LEU 144 12.092 2.021 7.669 1019 H ALA 145 HN ALA 145 9.926 2.251 3.853 1020 HA ALA 145 HA ALA 145 11.931 1.341 1.908 1021 1HB ALA 145 1HB ALA 145 9.530 0.046 3.215 1022 2HB ALA 145 2HB ALA 145 10.182 -0.574 1.680 1023 3HB ALA 145 3HB ALA 145 11.210 -0.535 3.132 1024 H CYS 146 HN CYS 146 11.149 0.975 -0.327 1025 HA CYS 146 HA CYS 146 8.912 2.768 -0.939 1026 1HB CYS 146 2HB CYS 146 10.205 2.991 -3.197 1027 2HB CYS 146 3HB CYS 146 10.617 3.989 -1.816 1028 H GLY 147 HN GLY 147 7.687 0.645 -0.614 1029 1HA GLY 147 1HA GLY 147 8.084 -1.669 -2.040 1030 2HA GLY 147 2HA GLY 147 6.527 -1.051 -1.528 1031 H VAL 148 HN VAL 148 6.323 1.340 -3.044 1032 HA VAL 148 HA VAL 148 5.754 2.105 -5.038 1033 HB VAL 148 HB VAL 148 7.973 0.240 -5.705 1034 1HG1 VAL 148 1HG1 VAL 148 6.519 -0.299 -7.528 1035 2HG1 VAL 148 2HG1 VAL 148 6.085 1.410 -7.770 1036 3HG1 VAL 148 3HG1 VAL 148 7.733 0.848 -8.142 1037 1HG2 VAL 148 1HG2 VAL 148 7.517 3.144 -6.456 1038 2HG2 VAL 148 2HG2 VAL 148 8.275 2.619 -4.933 1039 3HG2 VAL 148 3HG2 VAL 148 9.047 2.234 -6.490 1040 H ILE 149 HN ILE 149 3.670 1.800 -5.612 1041 HA ILE 149 HA ILE 149 2.663 -0.898 -5.788 1042 HB ILE 149 HB ILE 149 1.352 1.813 -5.992 1043 1HG1 ILE 149 2HG1 ILE 149 0.330 0.552 -3.787 1044 2HG1 ILE 149 3HG1 ILE 149 1.983 -0.032 -3.774 1045 1HG2 ILE 149 1HG2 ILE 149 0.320 -0.262 -7.259 1046 2HG2 ILE 149 2HG2 ILE 149 -0.217 -0.704 -5.621 1047 3HG2 ILE 149 3HG2 ILE 149 -0.700 0.858 -6.324 1048 1HD1 ILE 149 1HD1 ILE 149 1.216 2.912 -4.026 1049 2HD1 ILE 149 2HD1 ILE 149 1.684 2.117 -2.504 1050 3HD1 ILE 149 3HD1 ILE 149 2.860 2.257 -3.833 1051 H GLY 150 HN GLY 150 3.558 -1.858 -7.622 1052 1HA GLY 150 1HA GLY 150 2.989 -0.485 -10.179 1053 2HA GLY 150 2HA GLY 150 4.325 -1.585 -9.898 1054 H ILE 151 HN ILE 151 2.362 -1.899 -11.994 1055 HA ILE 151 HA ILE 151 0.353 -3.718 -11.225 1056 HB ILE 151 HB ILE 151 1.627 -3.182 -13.910 1057 1HG1 ILE 151 2HG1 ILE 151 0.653 -1.180 -12.848 1058 2HG1 ILE 151 3HG1 ILE 151 -0.202 -1.658 -14.301 1059 1HG2 ILE 151 1HG2 ILE 151 -0.732 -4.022 -14.647 1060 2HG2 ILE 151 2HG2 ILE 151 0.553 -5.192 -14.265 1061 3HG2 ILE 151 3HG2 ILE 151 -0.723 -4.850 -13.071 1062 1HD1 ILE 151 1HD1 ILE 151 -2.136 -1.975 -13.159 1063 2HD1 ILE 151 2HD1 ILE 151 -1.325 -2.993 -11.945 1064 3HD1 ILE 151 3HD1 ILE 151 -1.333 -1.222 -11.761 1065 H ALA 152 HN ALA 152 0.243 -6.010 -11.478 1066 HA ALA 152 HA ALA 152 2.769 -7.351 -12.027 1067 1HB ALA 152 1HB ALA 152 2.647 -6.879 -9.556 1068 2HB ALA 152 2HB ALA 152 1.156 -7.849 -9.495 1069 3HB ALA 152 3HB ALA 152 2.696 -8.612 -9.959 1070 H GLN 153 HN GLN 153 2.355 -9.824 -12.116 1071 HA GLN 153 HA GLN 153 -0.243 -10.152 -13.386 1072 1HB GLN 153 2HB GLN 153 0.745 -11.864 -14.753 1073 2HB GLN 153 3HB GLN 153 1.865 -10.516 -14.754 1074 1HG GLN 153 2HG GLN 153 2.829 -11.869 -12.593 1075 2HG GLN 153 3HG GLN 153 2.141 -13.218 -13.476 1076 1HE2 GLN 153 1HE2 GLN 153 4.781 -11.217 -13.095 1077 2HE2 GLN 153 2HE2 GLN 153 5.659 -11.570 -14.545 Start of MODEL 11 1 1H ALA 1 HN ALA 1 -9.729 -2.755 -14.257 2 HA ALA 1 HA ALA 1 -7.245 -1.737 -15.393 3 1HB ALA 1 1HB ALA 1 -7.069 -0.127 -13.835 4 2HB ALA 1 2HB ALA 1 -8.572 -0.664 -13.046 5 3HB ALA 1 3HB ALA 1 -7.016 -1.400 -12.593 6 H THR 2 HN THR 2 -5.688 -2.565 -13.066 7 HA THR 2 HA THR 2 -6.340 -5.405 -12.823 8 HB THR 2 HB THR 2 -3.788 -5.760 -13.359 9 HG1 THR 2 1HG THR 2 -2.994 -3.689 -13.647 10 1HG2 THR 2 1HG2 THR 2 -5.390 -4.732 -15.737 11 2HG2 THR 2 2HG2 THR 2 -4.221 -6.074 -15.688 12 3HG2 THR 2 3HG2 THR 2 -5.827 -6.265 -14.945 13 H LYS 3 HN LYS 3 -4.515 -6.432 -11.305 14 HA LYS 3 HA LYS 3 -4.549 -4.689 -8.970 15 1HB LYS 3 2HB LYS 3 -5.570 -6.862 -8.685 16 2HB LYS 3 3HB LYS 3 -4.142 -7.674 -9.294 17 1HG LYS 3 2HG LYS 3 -3.698 -5.805 -6.994 18 2HG LYS 3 3HG LYS 3 -4.619 -7.252 -6.634 19 1HD LYS 3 2HD LYS 3 -2.255 -7.831 -8.302 20 2HD LYS 3 3HD LYS 3 -1.820 -7.063 -6.788 21 1HE LYS 3 2HE LYS 3 -3.568 -8.844 -5.779 22 2HE LYS 3 3HE LYS 3 -3.182 -9.717 -7.249 23 1HZ LYS 3 1HZ LYS 3 -1.577 -10.419 -5.816 24 2HZ LYS 3 2HZ LYS 3 -0.779 -9.198 -6.551 25 3HZ LYS 3 3HZ LYS 3 -1.413 -8.980 -5.062 26 H ALA 4 HN ALA 4 -2.729 -3.815 -8.075 27 HA ALA 4 HA ALA 4 -0.214 -4.502 -9.425 28 1HB ALA 4 1HB ALA 4 -0.934 -2.177 -9.709 29 2HB ALA 4 2HB ALA 4 -1.092 -1.989 -7.946 30 3HB ALA 4 3HB ALA 4 0.512 -2.245 -8.673 31 H VAL 5 HN VAL 5 1.773 -4.337 -7.976 32 HA VAL 5 HA VAL 5 1.111 -5.132 -5.232 33 HB VAL 5 HB VAL 5 3.231 -6.436 -6.942 34 1HG1 VAL 5 1HG1 VAL 5 2.179 -6.852 -4.154 35 2HG1 VAL 5 2HG1 VAL 5 2.855 -8.224 -5.065 36 3HG1 VAL 5 3HG1 VAL 5 3.860 -6.791 -4.738 37 1HG2 VAL 5 1HG2 VAL 5 0.709 -6.763 -7.613 38 2HG2 VAL 5 2HG2 VAL 5 1.807 -8.161 -7.527 39 3HG2 VAL 5 3HG2 VAL 5 0.679 -7.832 -6.190 40 H ALA 6 HN ALA 6 2.982 -4.834 -3.719 41 HA ALA 6 HA ALA 6 5.128 -3.169 -4.661 42 1HB ALA 6 1HB ALA 6 2.712 -1.961 -3.729 43 2HB ALA 6 2HB ALA 6 3.946 -1.732 -2.467 44 3HB ALA 6 3HB ALA 6 4.256 -1.171 -4.128 45 H VAL 7 HN VAL 7 6.488 -4.826 -3.879 46 HA VAL 7 HA VAL 7 6.149 -5.722 -1.163 47 HB VAL 7 HB VAL 7 8.147 -6.304 -3.351 48 1HG1 VAL 7 1HG1 VAL 7 9.442 -6.637 -1.430 49 2HG1 VAL 7 2HG1 VAL 7 8.061 -7.241 -0.484 50 3HG1 VAL 7 3HG1 VAL 7 8.773 -8.252 -1.765 51 1HG2 VAL 7 1HG2 VAL 7 6.558 -7.708 -4.050 52 2HG2 VAL 7 2HG2 VAL 7 6.792 -8.631 -2.546 53 3HG2 VAL 7 3HG2 VAL 7 5.547 -7.362 -2.626 54 H LEU 8 HN LEU 8 6.532 -4.086 0.307 55 HA LEU 8 HA LEU 8 8.172 -1.972 0.109 56 1HB LEU 8 2HB LEU 8 7.342 -3.685 2.418 57 2HB LEU 8 3HB LEU 8 8.490 -2.387 2.680 58 HG LEU 8 HG LEU 8 6.074 -1.841 3.144 59 1HD1 LEU 8 1HD1 LEU 8 7.779 -0.216 1.271 60 2HD1 LEU 8 2HD1 LEU 8 6.195 0.378 1.825 61 3HD1 LEU 8 3HD1 LEU 8 7.472 0.011 3.010 62 1HD2 LEU 8 1HD2 LEU 8 5.890 -2.239 0.163 63 2HD2 LEU 8 2HD2 LEU 8 4.846 -2.881 1.454 64 3HD2 LEU 8 3HD2 LEU 8 4.778 -1.154 1.031 65 H LYS 9 HN LYS 9 10.362 -1.454 0.492 66 HA LYS 9 HA LYS 9 12.269 -3.187 1.456 67 1HB LYS 9 2HB LYS 9 11.403 -4.218 -0.929 68 2HB LYS 9 3HB LYS 9 12.753 -3.234 -1.458 69 1HG LYS 9 2HG LYS 9 14.325 -4.463 -0.224 70 2HG LYS 9 3HG LYS 9 13.153 -4.966 0.978 71 1HD LYS 9 2HD LYS 9 12.083 -6.488 -0.686 72 2HD LYS 9 3HD LYS 9 13.228 -5.970 -1.907 73 1HE LYS 9 2HE LYS 9 15.065 -7.027 -0.824 74 2HE LYS 9 3HE LYS 9 14.244 -7.092 0.723 75 1HZ LYS 9 1HZ LYS 9 13.650 -8.695 -1.660 76 2HZ LYS 9 2HZ LYS 9 14.171 -9.225 -0.206 77 3HZ LYS 9 3HZ LYS 9 12.655 -8.638 -0.366 78 H GLY 10 HN GLY 10 13.898 -1.858 2.057 79 1HA GLY 10 1HA GLY 10 15.211 -0.038 0.453 80 2HA GLY 10 2HA GLY 10 13.904 0.859 1.201 81 H ASP 11 HN ASP 11 13.865 1.192 3.498 82 HA ASP 11 HA ASP 11 16.123 1.772 4.709 83 1HB ASP 11 2HB ASP 11 13.782 2.113 5.599 84 2HB ASP 11 3HB ASP 11 13.756 0.436 6.105 85 H GLY 12 HN GLY 12 14.317 -1.318 5.450 86 1HA GLY 12 1HA GLY 12 16.164 -3.212 5.013 87 2HA GLY 12 2HA GLY 12 16.721 -2.530 6.528 88 HA PRO 13 HA PRO 13 13.493 -4.501 8.688 89 1HB PRO 13 2HB PRO 13 12.264 -2.639 10.266 90 2HB PRO 13 3HB PRO 13 13.819 -3.347 10.654 91 1HG PRO 13 2HG PRO 13 13.221 -0.647 9.609 92 2HG PRO 13 3HG PRO 13 14.679 -1.223 10.392 93 1HD PRO 13 2HD PRO 13 14.304 -0.768 7.585 94 2HD PRO 13 3HD PRO 13 15.721 -1.453 8.356 95 H VAL 14 HN VAL 14 12.027 -1.470 7.614 96 HA VAL 14 HA VAL 14 9.450 -2.549 7.459 97 HB VAL 14 HB VAL 14 10.773 -0.200 6.094 98 1HG1 VAL 14 1HG1 VAL 14 7.837 -0.177 6.422 99 2HG1 VAL 14 2HG1 VAL 14 8.848 0.381 5.068 100 3HG1 VAL 14 3HG1 VAL 14 8.449 -1.347 5.228 101 1HG2 VAL 14 1HG2 VAL 14 9.511 1.104 7.816 102 2HG2 VAL 14 2HG2 VAL 14 9.045 -0.436 8.578 103 3HG2 VAL 14 3HG2 VAL 14 10.760 0.033 8.495 104 H GLN 15 HN GLN 15 9.336 -4.531 6.391 105 HA GLN 15 HA GLN 15 9.833 -4.316 3.535 106 1HB GLN 15 2HB GLN 15 11.723 -5.566 4.565 107 2HB GLN 15 3HB GLN 15 10.595 -6.702 5.277 108 1HG GLN 15 2HG GLN 15 9.920 -6.584 2.508 109 2HG GLN 15 3HG GLN 15 11.671 -6.644 2.566 110 1HE2 GLN 15 1HE2 GLN 15 8.714 -8.308 3.080 111 2HE2 GLN 15 2HE2 GLN 15 9.344 -9.861 3.517 112 H GLY 16 HN GLY 16 7.353 -3.793 4.484 113 1HA GLY 16 1HA GLY 16 5.754 -6.138 4.866 114 2HA GLY 16 2HA GLY 16 5.205 -4.490 4.636 115 H ILE 17 HN ILE 17 3.542 -5.841 3.307 116 HA ILE 17 HA ILE 17 4.428 -5.711 0.540 117 HB ILE 17 HB ILE 17 3.280 -8.167 1.856 118 1HG1 ILE 17 2HG1 ILE 17 5.703 -7.963 0.065 119 2HG1 ILE 17 3HG1 ILE 17 5.811 -7.673 1.790 120 1HG2 ILE 17 1HG2 ILE 17 1.983 -7.857 -0.127 121 2HG2 ILE 17 2HG2 ILE 17 3.431 -7.471 -1.087 122 3HG2 ILE 17 3HG2 ILE 17 3.194 -9.120 -0.458 123 1HD1 ILE 17 1HD1 ILE 17 4.325 -10.143 1.002 124 2HD1 ILE 17 2HD1 ILE 17 6.074 -10.144 0.671 125 3HD1 ILE 17 3HD1 ILE 17 5.482 -9.886 2.330 126 H ILE 18 HN ILE 18 3.045 -4.359 -0.458 127 HA ILE 18 HA ILE 18 0.249 -4.445 0.441 128 HB ILE 18 HB ILE 18 0.821 -2.420 1.268 129 1HG1 ILE 18 2HG1 ILE 18 -0.898 -2.190 -0.579 130 2HG1 ILE 18 3HG1 ILE 18 -0.088 -0.717 -0.083 131 1HG2 ILE 18 1HG2 ILE 18 3.068 -2.146 0.973 132 2HG2 ILE 18 2HG2 ILE 18 2.996 -2.461 -0.777 133 3HG2 ILE 18 3HG2 ILE 18 2.466 -0.889 -0.134 134 1HD1 ILE 18 1HD1 ILE 18 1.591 -1.714 -2.094 135 2HD1 ILE 18 2HD1 ILE 18 -0.046 -2.080 -2.688 136 3HD1 ILE 18 3HD1 ILE 18 0.398 -0.406 -2.280 137 H ASN 19 HN ASN 19 -1.281 -4.701 -1.141 138 HA ASN 19 HA ASN 19 -0.241 -4.618 -3.865 139 1HB ASN 19 2HB ASN 19 -2.636 -6.326 -3.317 140 2HB ASN 19 3HB ASN 19 -1.260 -6.650 -4.353 141 1HD2 ASN 19 1HD2 ASN 19 0.031 -8.194 -3.733 142 2HD2 ASN 19 2HD2 ASN 19 0.315 -8.747 -2.116 143 H PHE 20 HN PHE 20 -1.840 -3.885 -5.506 144 HA PHE 20 HA PHE 20 -4.155 -2.535 -4.305 145 1HB PHE 20 2HB PHE 20 -1.934 -1.694 -6.175 146 2HB PHE 20 3HB PHE 20 -3.529 -1.101 -6.592 147 HD1 PHE 20 1HD PHE 20 -3.606 1.140 -6.044 148 HD2 PHE 20 2HD PHE 20 -1.881 -1.572 -3.275 149 HE1 PHE 20 1HE PHE 20 -3.350 3.002 -4.380 150 HE2 PHE 20 2HE PHE 20 -1.625 0.289 -1.611 151 HZ PHE 20 HZ PHE 20 -2.363 2.554 -2.183 152 H GLU 21 HN GLU 21 -5.693 -4.121 -4.849 153 HA GLU 21 HA GLU 21 -5.701 -5.127 -7.526 154 1HB GLU 21 2HB GLU 21 -6.283 -6.626 -5.674 155 2HB GLU 21 3HB GLU 21 -7.577 -5.562 -5.162 156 1HG GLU 21 2HG GLU 21 -8.801 -5.954 -7.268 157 2HG GLU 21 3HG GLU 21 -7.469 -6.898 -7.907 158 H GLN 22 HN GLN 22 -6.781 -4.222 -9.228 159 HA GLN 22 HA GLN 22 -9.194 -2.768 -8.685 160 1HB GLN 22 2HB GLN 22 -7.085 -1.184 -8.582 161 2HB GLN 22 3HB GLN 22 -7.088 -1.339 -10.328 162 1HG GLN 22 2HG GLN 22 -9.195 -0.110 -8.533 163 2HG GLN 22 3HG GLN 22 -8.432 0.574 -9.955 164 1HE2 GLN 22 1HE2 GLN 22 -9.609 0.651 -11.699 165 2HE2 GLN 22 2HE2 GLN 22 -10.928 -0.386 -12.129 166 H LYS 23 HN LYS 23 -9.497 -5.048 -9.827 167 HA LYS 23 HA LYS 23 -9.056 -4.811 -12.698 168 1HB LYS 23 2HB LYS 23 -8.788 -6.925 -10.939 169 2HB LYS 23 3HB LYS 23 -10.341 -7.251 -11.682 170 1HG LYS 23 2HG LYS 23 -9.386 -7.189 -13.917 171 2HG LYS 23 3HG LYS 23 -7.870 -6.540 -13.322 172 1HD LYS 23 2HD LYS 23 -7.083 -8.644 -13.040 173 2HD LYS 23 3HD LYS 23 -8.335 -8.950 -11.852 174 1HE LYS 23 2HE LYS 23 -9.730 -10.027 -13.380 175 2HE LYS 23 3HE LYS 23 -9.165 -9.076 -14.739 176 1HZ LYS 23 1HZ LYS 23 -7.069 -10.617 -13.678 177 2HZ LYS 23 2HZ LYS 23 -8.339 -11.579 -14.041 178 3HZ LYS 23 3HZ LYS 23 -7.684 -10.623 -15.191 179 H GLU 24 HN GLU 24 -10.664 -2.883 -12.474 180 HA GLU 24 HA GLU 24 -13.170 -3.919 -13.360 181 1HB GLU 24 2HB GLU 24 -12.857 -2.655 -10.672 182 2HB GLU 24 3HB GLU 24 -14.206 -2.071 -11.626 183 1HG GLU 24 2HG GLU 24 -14.309 -4.862 -11.978 184 2HG GLU 24 3HG GLU 24 -13.848 -4.677 -10.297 185 H SER 25 HN SER 25 -14.191 -2.483 -14.803 186 HA SER 25 HA SER 25 -12.542 -0.348 -15.668 187 1HB SER 25 2HB SER 25 -15.325 -1.226 -16.559 188 2HB SER 25 3HB SER 25 -14.349 -0.031 -17.389 189 HG SER 25 HG SER 25 -13.656 -1.761 -18.474 190 H ASN 26 HN ASN 26 -14.800 -0.674 -13.174 191 HA ASN 26 HA ASN 26 -14.992 2.171 -12.962 192 1HB ASN 26 2HB ASN 26 -17.318 0.431 -13.681 193 2HB ASN 26 3HB ASN 26 -17.621 1.533 -12.353 194 1HD2 ASN 26 1HD2 ASN 26 -18.829 1.593 -14.917 195 2HD2 ASN 26 2HD2 ASN 26 -18.431 3.089 -15.692 196 H GLY 27 HN GLY 27 -13.732 -0.181 -11.573 197 1HA GLY 27 1HA GLY 27 -15.257 -0.235 -9.045 198 2HA GLY 27 2HA GLY 27 -14.110 -1.446 -9.583 199 HA PRO 28 HA PRO 28 -12.040 1.945 -7.119 200 1HB PRO 28 2HB PRO 28 -12.253 1.077 -4.536 201 2HB PRO 28 3HB PRO 28 -13.305 2.297 -5.227 202 1HG PRO 28 2HG PRO 28 -13.894 -0.539 -4.635 203 2HG PRO 28 3HG PRO 28 -15.014 0.779 -4.915 204 1HD PRO 28 2HD PRO 28 -14.313 -1.299 -6.764 205 2HD PRO 28 3HD PRO 28 -15.342 0.084 -7.082 206 H VAL 29 HN VAL 29 -9.992 1.842 -5.796 207 HA VAL 29 HA VAL 29 -8.655 -0.595 -6.682 208 HB VAL 29 HB VAL 29 -7.538 2.009 -5.623 209 1HG1 VAL 29 1HG1 VAL 29 -6.332 -0.566 -6.441 210 2HG1 VAL 29 2HG1 VAL 29 -5.572 0.883 -7.142 211 3HG1 VAL 29 3HG1 VAL 29 -5.703 0.714 -5.375 212 1HG2 VAL 29 1HG2 VAL 29 -7.502 2.879 -7.718 213 2HG2 VAL 29 2HG2 VAL 29 -7.248 1.296 -8.492 214 3HG2 VAL 29 3HG2 VAL 29 -8.878 1.776 -7.962 215 H LYS 30 HN LYS 30 -9.102 -2.189 -5.180 216 HA LYS 30 HA LYS 30 -9.372 -1.715 -2.444 217 1HB LYS 30 2HB LYS 30 -8.968 -4.128 -4.177 218 2HB LYS 30 3HB LYS 30 -8.793 -4.298 -2.443 219 1HG LYS 30 2HG LYS 30 -11.077 -3.066 -2.254 220 2HG LYS 30 3HG LYS 30 -11.241 -3.338 -3.978 221 1HD LYS 30 2HD LYS 30 -11.019 -5.787 -3.644 222 2HD LYS 30 3HD LYS 30 -10.754 -5.551 -1.928 223 1HE LYS 30 2HE LYS 30 -12.987 -5.115 -1.494 224 2HE LYS 30 3HE LYS 30 -13.236 -4.285 -3.017 225 1HZ LYS 30 1HZ LYS 30 -14.218 -6.614 -2.641 226 2HZ LYS 30 2HZ LYS 30 -13.587 -6.242 -4.100 227 3HZ LYS 30 3HZ LYS 30 -12.729 -7.149 -3.047 228 H VAL 31 HN VAL 31 -7.684 -0.365 -1.697 229 HA VAL 31 HA VAL 31 -4.968 -1.281 -2.049 230 HB VAL 31 HB VAL 31 -6.266 1.099 -0.727 231 1HG1 VAL 31 1HG1 VAL 31 -4.437 0.908 0.667 232 2HG1 VAL 31 2HG1 VAL 31 -3.431 0.126 -0.576 233 3HG1 VAL 31 3HG1 VAL 31 -3.747 1.876 -0.658 234 1HG2 VAL 31 1HG2 VAL 31 -4.774 2.241 -2.526 235 2HG2 VAL 31 2HG2 VAL 31 -4.722 0.626 -3.273 236 3HG2 VAL 31 3HG2 VAL 31 -6.284 1.446 -3.034 237 H TRP 32 HN TRP 32 -4.054 -2.777 -0.750 238 HA TRP 32 HA TRP 32 -4.647 -2.686 2.084 239 1HB TRP 32 2HB TRP 32 -5.720 -4.634 2.318 240 2HB TRP 32 3HB TRP 32 -6.245 -4.306 0.678 241 HD1 TRP 32 HD1 TRP 32 -3.550 -6.433 2.515 242 HE1 TRP 32 HE1 TRP 32 -2.886 -8.543 1.075 243 HE3 TRP 32 HE3 TRP 32 -6.319 -5.177 -1.561 244 HZ2 TRP 32 HZ2 TRP 32 -3.579 -9.430 -1.547 245 HZ3 TRP 32 HZ3 TRP 32 -6.270 -6.719 -3.518 246 HH2 TRP 32 HH2 TRP 32 -4.961 -8.783 -3.555 247 H GLY 33 HN GLY 33 -3.043 -4.108 3.279 248 1HA GLY 33 1HA GLY 33 -0.912 -5.404 2.043 249 2HA GLY 33 2HA GLY 33 -0.439 -3.729 2.244 250 H SER 34 HN SER 34 1.212 -4.959 3.694 251 HA SER 34 HA SER 34 0.299 -4.600 6.370 252 1HB SER 34 2HB SER 34 1.010 -6.861 7.147 253 2HB SER 34 3HB SER 34 -0.364 -6.932 6.061 254 HG SER 34 HG SER 34 1.891 -8.279 5.806 255 H ILE 35 HN ILE 35 1.956 -3.557 7.421 256 HA ILE 35 HA ILE 35 4.542 -3.520 6.144 257 HB ILE 35 HB ILE 35 2.992 -1.824 7.894 258 1HG1 ILE 35 2HG1 ILE 35 5.081 -0.327 6.989 259 2HG1 ILE 35 3HG1 ILE 35 5.091 -1.627 5.814 260 1HG2 ILE 35 1HG2 ILE 35 5.910 -2.133 8.648 261 2HG2 ILE 35 2HG2 ILE 35 4.735 -0.979 9.324 262 3HG2 ILE 35 3HG2 ILE 35 4.539 -2.724 9.616 263 1HD1 ILE 35 1HD1 ILE 35 3.083 -0.999 4.895 264 2HD1 ILE 35 2HD1 ILE 35 2.384 -0.562 6.473 265 3HD1 ILE 35 3HD1 ILE 35 3.471 0.572 5.635 266 H LYS 36 HN LYS 36 6.547 -3.710 7.608 267 HA LYS 36 HA LYS 36 6.237 -5.449 9.867 268 1HB LYS 36 2HB LYS 36 7.541 -6.508 7.342 269 2HB LYS 36 3HB LYS 36 7.615 -7.277 8.914 270 1HG LYS 36 2HG LYS 36 5.034 -7.259 8.905 271 2HG LYS 36 3HG LYS 36 5.128 -6.780 7.223 272 1HD LYS 36 2HD LYS 36 6.343 -8.826 6.636 273 2HD LYS 36 3HD LYS 36 6.502 -9.273 8.323 274 1HE LYS 36 2HE LYS 36 3.690 -8.792 7.634 275 2HE LYS 36 3HE LYS 36 4.396 -9.989 6.567 276 1HZ LYS 36 1HZ LYS 36 4.015 -11.361 8.247 277 2HZ LYS 36 2HZ LYS 36 5.328 -10.713 8.970 278 3HZ LYS 36 3HZ LYS 36 3.836 -10.172 9.352 279 H GLY 37 HN GLY 37 7.481 -4.315 11.265 280 1HA GLY 37 1HA GLY 37 10.066 -4.236 11.534 281 2HA GLY 37 2HA GLY 37 9.929 -3.054 10.247 282 H LEU 38 HN LEU 38 7.560 -1.689 10.869 283 HA LEU 38 HA LEU 38 8.411 0.154 12.717 284 1HB LEU 38 2HB LEU 38 5.740 -0.539 11.544 285 2HB LEU 38 3HB LEU 38 5.865 0.698 12.779 286 HG LEU 38 HG LEU 38 7.810 1.533 11.072 287 1HD1 LEU 38 1HD1 LEU 38 6.685 -0.475 9.594 288 2HD1 LEU 38 2HD1 LEU 38 5.785 0.951 9.022 289 3HD1 LEU 38 3HD1 LEU 38 7.562 0.925 8.932 290 1HD2 LEU 38 1HD2 LEU 38 5.974 3.062 10.128 291 2HD2 LEU 38 2HD2 LEU 38 4.870 2.182 11.212 292 3HD2 LEU 38 3HD2 LEU 38 6.254 3.075 11.886 293 H THR 39 HN THR 39 6.486 0.661 14.621 294 HA THR 39 HA THR 39 6.377 -1.788 16.236 295 HB THR 39 HB THR 39 7.113 -0.289 18.187 296 HG1 THR 39 1HG THR 39 6.613 1.682 16.851 297 1HG2 THR 39 1HG2 THR 39 9.280 -0.945 17.833 298 2HG2 THR 39 2HG2 THR 39 8.727 -1.586 16.267 299 3HG2 THR 39 3HG2 THR 39 9.405 0.056 16.366 300 H GLU 40 HN GLU 40 4.536 -2.077 17.418 301 HA GLU 40 HA GLU 40 2.235 -1.077 16.651 302 1HB GLU 40 2HB GLU 40 1.279 -1.927 18.636 303 2HB GLU 40 3HB GLU 40 2.770 -2.835 18.483 304 1HG GLU 40 2HG GLU 40 3.822 -0.922 19.958 305 2HG GLU 40 3HG GLU 40 2.162 -0.523 20.354 306 H GLY 41 HN GLY 41 1.246 0.893 16.533 307 1HA GLY 41 1HA GLY 41 0.728 2.756 18.294 308 2HA GLY 41 2HA GLY 41 2.428 3.104 18.050 309 H LEU 42 HN LEU 42 1.776 5.220 17.184 310 HA LEU 42 HA LEU 42 0.375 5.128 14.638 311 1HB LEU 42 2HB LEU 42 1.335 7.496 16.248 312 2HB LEU 42 3HB LEU 42 0.297 7.543 14.837 313 HG LEU 42 HG LEU 42 -1.488 7.410 16.143 314 1HD1 LEU 42 1HD1 LEU 42 -1.067 4.903 15.810 315 2HD1 LEU 42 2HD1 LEU 42 -0.506 4.903 17.499 316 3HD1 LEU 42 3HD1 LEU 42 -2.173 5.395 17.115 317 1HD2 LEU 42 1HD2 LEU 42 0.663 7.627 18.123 318 2HD2 LEU 42 2HD2 LEU 42 -0.877 8.511 17.989 319 3HD2 LEU 42 3HD2 LEU 42 -0.834 6.910 18.766 320 H HIS 43 HN HIS 43 1.291 6.275 12.739 321 HA HIS 43 HA HIS 43 4.117 6.742 12.783 322 1HB HIS 43 2HB HIS 43 3.025 4.504 11.056 323 2HB HIS 43 3HB HIS 43 4.672 5.104 11.057 324 HD1 HIS 43 HD1 HIS 43 5.811 4.954 13.670 325 HD2 HIS 43 HD2 HIS 43 2.746 2.291 12.616 326 HE1 HIS 43 HE1 HIS 43 5.980 2.991 15.292 327 H GLY 44 HN GLY 44 4.827 7.937 10.910 328 1HA GLY 44 1HA GLY 44 3.100 9.801 9.917 329 2HA GLY 44 2HA GLY 44 4.584 9.300 9.132 330 H PHE 45 HN PHE 45 2.753 10.082 7.373 331 HA PHE 45 HA PHE 45 1.299 7.682 6.543 332 1HB PHE 45 2HB PHE 45 0.463 10.267 6.885 333 2HB PHE 45 3HB PHE 45 1.081 10.423 5.253 334 HD1 PHE 45 1HD PHE 45 -0.970 7.897 7.104 335 HD2 PHE 45 2HD PHE 45 -0.543 10.307 3.637 336 HE1 PHE 45 1HE PHE 45 -3.124 6.979 6.199 337 HE2 PHE 45 2HE PHE 45 -2.697 9.389 2.733 338 HZ PHE 45 HZ PHE 45 -3.961 7.735 4.025 339 H HIS 46 HN HIS 46 1.328 7.077 4.243 340 HA HIS 46 HA HIS 46 3.917 7.007 3.232 341 1HB HIS 46 2HB HIS 46 2.753 6.120 1.159 342 2HB HIS 46 3HB HIS 46 2.494 5.242 2.653 343 HD1 HIS 46 HD1 HIS 46 0.303 4.349 1.303 344 HD2 HIS 46 HD2 HIS 46 0.266 8.371 2.496 345 HE1 HIS 46 HE1 HIS 46 -2.129 5.112 1.171 346 H VAL 47 HN VAL 47 4.192 7.656 0.691 347 HA VAL 47 HA VAL 47 4.353 9.268 -0.826 348 HB VAL 47 HB VAL 47 2.311 10.863 0.721 349 1HG1 VAL 47 1HG1 VAL 47 3.673 11.891 -1.199 350 2HG1 VAL 47 2HG1 VAL 47 2.755 10.804 -2.269 351 3HG1 VAL 47 3HG1 VAL 47 1.900 12.020 -1.290 352 1HG2 VAL 47 1HG2 VAL 47 1.638 8.942 -1.513 353 2HG2 VAL 47 2HG2 VAL 47 1.637 8.436 0.194 354 3HG2 VAL 47 3HG2 VAL 47 0.547 9.734 -0.350 355 H HIS 48 HN HIS 48 6.348 10.157 -0.732 356 HA HIS 48 HA HIS 48 6.723 12.366 1.091 357 1HB HIS 48 2HB HIS 48 8.680 11.527 2.140 358 2HB HIS 48 3HB HIS 48 7.426 10.319 2.341 359 HD1 HIS 48 HD1 HIS 48 7.637 8.107 0.860 360 HD2 HIS 48 HD2 HIS 48 10.940 10.690 0.733 361 HE1 HIS 48 HE1 HIS 48 9.561 6.760 -0.137 362 H GLU 49 HN GLU 49 6.328 12.959 -1.395 363 HA GLU 49 HA GLU 49 8.833 13.849 -2.290 364 1HB GLU 49 2HB GLU 49 8.865 12.693 -4.495 365 2HB GLU 49 3HB GLU 49 9.066 11.573 -3.163 366 1HG GLU 49 2HG GLU 49 6.261 11.738 -3.543 367 2HG GLU 49 3HG GLU 49 6.927 11.704 -5.164 368 H GLU 50 HN GLU 50 8.445 14.829 -4.720 369 HA GLU 50 HA GLU 50 6.314 16.623 -4.344 370 1HB GLU 50 2HB GLU 50 8.571 16.261 -6.219 371 2HB GLU 50 3HB GLU 50 7.153 16.954 -6.981 372 1HG GLU 50 2HG GLU 50 7.260 18.371 -4.589 373 2HG GLU 50 3HG GLU 50 8.961 18.127 -4.937 374 H GLU 51 HN GLU 51 6.892 15.001 -7.502 375 HA GLU 51 HA GLU 51 4.109 14.131 -7.392 376 1HB GLU 51 2HB GLU 51 5.417 15.912 -9.260 377 2HB GLU 51 3HB GLU 51 4.921 14.469 -10.122 378 1HG GLU 51 2HG GLU 51 2.627 14.772 -8.876 379 2HG GLU 51 3HG GLU 51 3.187 16.397 -8.536 380 H ASP 52 HN ASP 52 4.151 12.697 -9.888 381 HA ASP 52 HA ASP 52 6.253 10.748 -9.415 382 1HB ASP 52 2HB ASP 52 3.407 9.930 -10.107 383 2HB ASP 52 3HB ASP 52 4.709 8.906 -9.535 384 H ASN 53 HN ASN 53 7.345 10.543 -11.373 385 HA ASN 53 HA ASN 53 6.102 9.868 -13.713 386 1HB ASN 53 2HB ASN 53 6.382 12.822 -13.268 387 2HB ASN 53 3HB ASN 53 6.934 12.251 -14.830 388 1HD2 ASN 53 1HD2 ASN 53 4.933 13.898 -14.954 389 2HD2 ASN 53 2HD2 ASN 53 3.414 13.134 -15.282 390 H THR 54 HN THR 54 8.185 8.644 -12.750 391 HA THR 54 HA THR 54 10.417 9.449 -14.407 392 HB THR 54 HB THR 54 10.600 10.659 -12.124 393 HG1 THR 54 1HG THR 54 12.476 8.592 -13.035 394 1HG2 THR 54 1HG2 THR 54 11.477 9.288 -10.269 395 2HG2 THR 54 2HG2 THR 54 9.858 8.691 -10.707 396 3HG2 THR 54 3HG2 THR 54 11.308 7.810 -11.247 397 H ALA 55 HN ALA 55 9.078 7.183 -11.941 398 HA ALA 55 HA ALA 55 9.169 4.967 -13.513 399 1HB ALA 55 1HB ALA 55 11.833 5.650 -12.325 400 2HB ALA 55 2HB ALA 55 11.332 3.942 -12.303 401 3HB ALA 55 3HB ALA 55 11.443 4.817 -13.849 402 H GLY 56 HN GLY 56 10.912 4.706 -10.436 403 1HA GLY 56 1HA GLY 56 8.393 4.282 -8.985 404 2HA GLY 56 2HA GLY 56 9.542 2.962 -9.087 405 H CYS 57 HN CYS 57 11.607 3.108 -8.016 406 HA CYS 57 HA CYS 57 11.715 5.326 -6.102 407 1HB CYS 57 2HB CYS 57 11.266 2.854 -5.330 408 2HB CYS 57 3HB CYS 57 12.994 2.673 -5.554 409 H THR 58 HN THR 58 13.324 6.719 -6.750 410 HA THR 58 HA THR 58 15.892 5.549 -7.502 411 HB THR 58 HB THR 58 15.877 7.370 -9.402 412 HG1 THR 58 1HG THR 58 13.884 8.375 -8.726 413 1HG2 THR 58 1HG2 THR 58 13.775 5.487 -10.241 414 2HG2 THR 58 2HG2 THR 58 15.440 5.649 -10.850 415 3HG2 THR 58 3HG2 THR 58 15.111 4.648 -9.415 416 H SER 59 HN SER 59 17.167 6.250 -5.896 417 HA SER 59 HA SER 59 16.736 8.293 -4.245 418 1HB SER 59 2HB SER 59 19.182 8.330 -3.836 419 2HB SER 59 3HB SER 59 18.581 6.691 -3.979 420 HG SER 59 HG SER 59 20.342 6.653 -5.298 421 H ALA 60 HN ALA 60 16.017 10.312 -4.914 422 HA ALA 60 HA ALA 60 17.775 11.727 -6.799 423 1HB ALA 60 1HB ALA 60 15.598 12.951 -7.431 424 2HB ALA 60 2HB ALA 60 15.788 11.281 -8.019 425 3HB ALA 60 3HB ALA 60 14.750 11.617 -6.612 426 H GLY 61 HN GLY 61 14.945 12.612 -4.710 427 1HA GLY 61 1HA GLY 61 16.325 13.762 -2.608 428 2HA GLY 61 2HA GLY 61 16.197 15.010 -3.832 429 HA PRO 62 HA PRO 62 11.894 13.843 -2.139 430 1HB PRO 62 2HB PRO 62 11.847 13.066 0.481 431 2HB PRO 62 3HB PRO 62 11.784 11.934 -0.855 432 1HG PRO 62 2HG PRO 62 14.048 12.558 0.942 433 2HG PRO 62 3HG PRO 62 13.822 11.165 -0.097 434 1HD PRO 62 2HD PRO 62 15.532 13.415 -0.590 435 2HD PRO 62 3HD PRO 62 15.218 12.078 -1.680 436 H HIS 63 HN HIS 63 10.884 15.738 -2.076 437 HA HIS 63 HA HIS 63 11.560 17.382 0.231 438 1HB HIS 63 2HB HIS 63 11.658 18.266 -2.661 439 2HB HIS 63 3HB HIS 63 11.515 19.395 -1.328 440 HD1 HIS 63 HD1 HIS 63 14.010 18.133 -3.456 441 HD2 HIS 63 HD2 HIS 63 13.794 18.655 0.701 442 HE1 HIS 63 HE1 HIS 63 16.419 18.181 -2.615 443 H PHE 64 HN PHE 64 9.319 15.563 -0.424 444 HA PHE 64 HA PHE 64 7.105 15.525 -0.605 445 1HB PHE 64 2HB PHE 64 8.041 17.387 1.422 446 2HB PHE 64 3HB PHE 64 6.578 18.068 0.739 447 HD1 PHE 64 1HD PHE 64 7.854 14.809 2.044 448 HD2 PHE 64 2HD PHE 64 4.555 17.451 1.662 449 HE1 PHE 64 1HE PHE 64 6.472 13.294 3.491 450 HE2 PHE 64 2HE PHE 64 3.174 15.935 3.109 451 HZ PHE 64 HZ PHE 64 4.149 13.875 4.006 452 H ASN 65 HN ASN 65 5.061 17.448 -0.678 453 HA ASN 65 HA ASN 65 5.746 18.893 -3.117 454 1HB ASN 65 2HB ASN 65 3.910 16.791 -2.884 455 2HB ASN 65 3HB ASN 65 2.878 18.199 -2.734 456 1HD2 ASN 65 1HD2 ASN 65 1.882 18.141 -4.654 457 2HD2 ASN 65 2HD2 ASN 65 2.652 18.326 -6.194 458 HA PRO 66 HA PRO 66 4.014 22.314 -0.988 459 1HB PRO 66 2HB PRO 66 3.251 23.947 -3.042 460 2HB PRO 66 3HB PRO 66 4.908 23.819 -2.484 461 1HG PRO 66 2HG PRO 66 3.682 22.692 -4.928 462 2HG PRO 66 3HG PRO 66 5.378 22.942 -4.565 463 1HD PRO 66 2HD PRO 66 3.959 20.451 -4.500 464 2HD PRO 66 3HD PRO 66 5.624 20.721 -4.027 465 H LEU 67 HN LEU 67 2.032 20.739 -3.351 466 HA LEU 67 HA LEU 67 -0.360 21.928 -2.989 467 1HB LEU 67 2HB LEU 67 0.586 19.604 -4.129 468 2HB LEU 67 3HB LEU 67 -0.532 19.008 -2.919 469 HG LEU 67 HG LEU 67 -1.597 19.270 -5.107 470 1HD1 LEU 67 1HD1 LEU 67 -3.173 19.394 -3.420 471 2HD1 LEU 67 2HD1 LEU 67 -2.545 20.938 -2.796 472 3HD1 LEU 67 3HD1 LEU 67 -3.466 20.902 -4.319 473 1HD2 LEU 67 1HD2 LEU 67 -1.806 21.288 -6.272 474 2HD2 LEU 67 2HD2 LEU 67 -1.299 22.261 -4.870 475 3HD2 LEU 67 3HD2 LEU 67 -0.108 21.263 -5.737 476 H SER 68 HN SER 68 1.069 19.357 -0.865 477 HA SER 68 HA SER 68 -1.081 19.466 0.928 478 1HB SER 68 2HB SER 68 0.374 18.087 2.388 479 2HB SER 68 3HB SER 68 0.366 17.489 0.741 480 HG SER 68 HG SER 68 2.375 19.385 1.228 481 H ARG 69 HN ARG 69 1.991 21.228 0.562 482 HA ARG 69 HA ARG 69 2.755 23.016 1.508 483 1HB ARG 69 2HB ARG 69 -0.100 23.119 2.373 484 2HB ARG 69 3HB ARG 69 0.990 24.049 3.382 485 1HG ARG 69 2HG ARG 69 1.822 24.650 0.754 486 2HG ARG 69 3HG ARG 69 0.075 24.590 0.639 487 1HD ARG 69 2HD ARG 69 -0.224 26.437 2.010 488 2HD ARG 69 3HD ARG 69 1.152 26.048 3.022 489 HE ARG 69 HE ARG 69 1.901 26.839 0.299 490 1HH1 ARG 69 2HH2 ARG 69 1.175 27.991 3.544 491 2HH1 ARG 69 1HH2 ARG 69 2.045 29.476 3.349 492 1HH2 ARG 69 2HH1 ARG 69 3.050 28.798 0.042 493 2HH2 ARG 69 1HH1 ARG 69 3.119 29.938 1.344 494 H LYS 70 HN LYS 70 0.693 21.491 4.106 495 HA LYS 70 HA LYS 70 2.976 20.527 5.494 496 1HB LYS 70 2HB LYS 70 2.519 21.936 7.569 497 2HB LYS 70 3HB LYS 70 3.382 22.706 6.252 498 1HG LYS 70 2HG LYS 70 0.572 23.087 5.762 499 2HG LYS 70 3HG LYS 70 0.861 23.477 7.446 500 1HD LYS 70 2HD LYS 70 2.874 24.551 5.508 501 2HD LYS 70 3HD LYS 70 1.267 25.238 5.386 502 1HE LYS 70 2HE LYS 70 1.371 26.233 7.486 503 2HE LYS 70 3HE LYS 70 2.376 24.967 8.161 504 1HZ LYS 70 1HZ LYS 70 3.542 27.069 7.817 505 2HZ LYS 70 2HZ LYS 70 4.240 25.841 6.999 506 3HZ LYS 70 3HZ LYS 70 3.330 26.939 6.203 507 H HIS 71 HN HIS 71 2.247 19.501 7.645 508 HA HIS 71 HA HIS 71 0.015 17.913 7.083 509 1HB HIS 71 2HB HIS 71 2.191 17.838 8.809 510 2HB HIS 71 3HB HIS 71 0.825 17.996 9.896 511 HD1 HIS 71 HD1 HIS 71 2.803 15.443 8.535 512 HD2 HIS 71 HD2 HIS 71 -1.347 15.968 8.851 513 HE1 HIS 71 HE1 HIS 71 1.770 13.118 8.334 514 H GLY 72 HN GLY 72 -2.039 17.765 8.218 515 1HA GLY 72 1HA GLY 72 -2.932 19.571 10.139 516 2HA GLY 72 2HA GLY 72 -3.285 20.277 8.574 517 H GLY 73 HN GLY 73 -5.309 19.837 7.834 518 1HA GLY 73 1HA GLY 73 -6.747 18.095 6.971 519 2HA GLY 73 2HA GLY 73 -6.417 17.157 8.415 520 HA PRO 74 HA PRO 74 -9.724 19.120 10.417 521 1HB PRO 74 2HB PRO 74 -8.973 19.128 13.045 522 2HB PRO 74 3HB PRO 74 -9.604 17.709 12.233 523 1HG PRO 74 2HG PRO 74 -6.815 18.318 13.000 524 2HG PRO 74 3HG PRO 74 -7.527 16.771 12.588 525 1HD PRO 74 2HD PRO 74 -5.848 18.387 10.916 526 2HD PRO 74 3HD PRO 74 -6.654 16.898 10.465 527 H LYS 75 HN LYS 75 -6.636 20.559 10.671 528 HA LYS 75 HA LYS 75 -8.004 23.119 11.085 529 1HB LYS 75 2HB LYS 75 -5.862 21.884 12.696 530 2HB LYS 75 3HB LYS 75 -5.536 23.534 12.208 531 1HG LYS 75 2HG LYS 75 -7.570 24.349 13.226 532 2HG LYS 75 3HG LYS 75 -8.214 22.730 13.414 533 1HD LYS 75 2HD LYS 75 -7.424 22.978 15.564 534 2HD LYS 75 3HD LYS 75 -5.928 22.417 14.843 535 1HE LYS 75 2HE LYS 75 -4.998 24.344 15.629 536 2HE LYS 75 3HE LYS 75 -5.831 25.151 14.315 537 1HZ LYS 75 1HZ LYS 75 -6.211 25.785 16.814 538 2HZ LYS 75 2HZ LYS 75 -7.399 25.932 15.702 539 3HZ LYS 75 3HZ LYS 75 -7.372 24.642 16.703 540 H ASP 76 HN ASP 76 -7.504 21.916 8.569 541 HA ASP 76 HA ASP 76 -6.385 23.916 7.200 542 1HB ASP 76 2HB ASP 76 -4.195 23.654 8.083 543 2HB ASP 76 3HB ASP 76 -4.308 21.905 8.104 544 H GLU 77 HN GLU 77 -7.170 23.475 5.126 545 HA GLU 77 HA GLU 77 -7.753 20.705 4.542 546 1HB GLU 77 2HB GLU 77 -9.661 22.042 4.175 547 2HB GLU 77 3HB GLU 77 -8.736 23.362 3.488 548 1HG GLU 77 2HG GLU 77 -8.381 22.184 1.418 549 2HG GLU 77 3HG GLU 77 -8.881 20.653 2.109 550 H GLU 78 HN GLU 78 -5.251 22.911 4.058 551 HA GLU 78 HA GLU 78 -4.651 22.669 1.399 552 1HB GLU 78 2HB GLU 78 -3.376 23.621 3.795 553 2HB GLU 78 3HB GLU 78 -2.206 22.648 2.927 554 1HG GLU 78 2HG GLU 78 -1.937 24.823 2.005 555 2HG GLU 78 3HG GLU 78 -2.893 23.973 0.807 556 H ARG 79 HN ARG 79 -3.274 20.714 4.149 557 HA ARG 79 HA ARG 79 -1.751 19.018 2.849 558 1HB ARG 79 2HB ARG 79 -2.560 17.231 4.544 559 2HB ARG 79 3HB ARG 79 -1.977 18.741 5.216 560 1HG ARG 79 2HG ARG 79 -3.956 18.807 6.346 561 2HG ARG 79 3HG ARG 79 -4.659 19.323 4.826 562 1HD ARG 79 2HD ARG 79 -4.461 16.474 4.669 563 2HD ARG 79 3HD ARG 79 -5.073 16.826 6.273 564 HE ARG 79 HE ARG 79 -6.405 18.372 4.169 565 1HH1 ARG 79 2HH2 ARG 79 -6.395 15.335 5.947 566 2HH1 ARG 79 1HH2 ARG 79 -8.067 15.001 5.639 567 1HH2 ARG 79 2HH1 ARG 79 -8.610 17.933 3.763 568 2HH2 ARG 79 1HH1 ARG 79 -9.335 16.489 4.388 569 H HIS 80 HN HIS 80 -1.944 17.029 1.652 570 HA HIS 80 HA HIS 80 -4.171 15.549 1.261 571 1HB HIS 80 2HB HIS 80 -4.522 18.092 0.017 572 2HB HIS 80 3HB HIS 80 -4.324 16.907 -1.258 573 HD1 HIS 80 HD1 HIS 80 -6.048 16.158 2.052 574 HD2 HIS 80 HD2 HIS 80 -6.997 16.743 -1.992 575 HE1 HIS 80 HE1 HIS 80 -8.509 15.533 1.797 576 H VAL 81 HN VAL 81 -1.310 17.130 -0.171 577 HA VAL 81 HA VAL 81 -0.755 14.630 -1.608 578 HB VAL 81 HB VAL 81 0.325 17.420 -2.053 579 1HG1 VAL 81 1HG1 VAL 81 0.999 14.754 -3.177 580 2HG1 VAL 81 2HG1 VAL 81 0.847 16.087 -4.346 581 3HG1 VAL 81 3HG1 VAL 81 2.001 16.213 -2.997 582 1HG2 VAL 81 1HG2 VAL 81 -1.051 17.416 -4.098 583 2HG2 VAL 81 2HG2 VAL 81 -1.740 15.844 -3.627 584 3HG2 VAL 81 3HG2 VAL 81 -2.048 17.285 -2.629 585 H GLY 82 HN GLY 82 -0.029 13.593 0.382 586 1HA GLY 82 1HA GLY 82 2.238 12.910 1.018 587 2HA GLY 82 2HA GLY 82 2.612 14.605 1.256 588 H ASP 83 HN ASP 83 0.313 15.573 2.566 589 HA ASP 83 HA ASP 83 0.623 14.179 5.084 590 1HB ASP 83 2HB ASP 83 -0.563 16.910 4.399 591 2HB ASP 83 3HB ASP 83 -0.457 16.269 6.026 592 H LEU 84 HN LEU 84 -1.240 13.366 6.228 593 HA LEU 84 HA LEU 84 -3.867 13.900 5.190 594 1HB LEU 84 2HB LEU 84 -2.943 12.115 3.701 595 2HB LEU 84 3HB LEU 84 -2.808 11.073 5.104 596 HG LEU 84 HG LEU 84 -5.489 12.251 4.701 597 1HD1 LEU 84 1HD1 LEU 84 -4.408 11.640 2.360 598 2HD1 LEU 84 2HD1 LEU 84 -4.855 9.990 2.857 599 3HD1 LEU 84 3HD1 LEU 84 -6.103 11.254 2.742 600 1HD2 LEU 84 1HD2 LEU 84 -5.934 10.604 6.115 601 2HD2 LEU 84 2HD2 LEU 84 -5.536 9.428 4.839 602 3HD2 LEU 84 3HD2 LEU 84 -4.273 9.980 5.966 603 H GLY 85 HN GLY 85 -2.343 11.199 7.077 604 1HA GLY 85 1HA GLY 85 -3.149 12.333 9.587 605 2HA GLY 85 2HA GLY 85 -4.201 11.031 9.069 606 H ASN 86 HN ASN 86 -3.095 10.276 11.273 607 HA ASN 86 HA ASN 86 -0.513 9.107 10.713 608 1HB ASN 86 2HB ASN 86 -2.173 9.567 13.216 609 2HB ASN 86 3HB ASN 86 -0.893 8.371 13.252 610 1HD2 ASN 86 1HD2 ASN 86 0.031 9.763 14.870 611 2HD2 ASN 86 2HD2 ASN 86 1.008 11.118 14.415 612 H VAL 87 HN VAL 87 -0.194 6.777 10.826 613 HA VAL 87 HA VAL 87 -2.649 5.274 10.407 614 HB VAL 87 HB VAL 87 -1.203 3.569 9.515 615 1HG1 VAL 87 1HG1 VAL 87 -0.185 4.808 7.633 616 2HG1 VAL 87 2HG1 VAL 87 -1.829 5.379 8.005 617 3HG1 VAL 87 3HG1 VAL 87 -0.418 6.331 8.525 618 1HG2 VAL 87 1HG2 VAL 87 0.718 3.473 10.811 619 2HG2 VAL 87 2HG2 VAL 87 1.325 4.224 9.316 620 3HG2 VAL 87 3HG2 VAL 87 0.983 5.232 10.743 621 H THR 88 HN THR 88 -1.768 2.713 11.227 622 HA THR 88 HA THR 88 -0.923 2.901 13.977 623 HB THR 88 HB THR 88 -3.756 1.984 13.249 624 HG1 THR 88 1HG THR 88 -2.730 4.183 14.891 625 1HG2 THR 88 1HG2 THR 88 -3.066 0.763 15.222 626 2HG2 THR 88 2HG2 THR 88 -2.187 2.171 15.865 627 3HG2 THR 88 3HG2 THR 88 -3.967 2.174 15.824 628 H ALA 89 HN ALA 89 0.073 1.062 14.664 629 HA ALA 89 HA ALA 89 0.293 -1.020 12.645 630 1HB ALA 89 1HB ALA 89 2.424 -0.491 13.338 631 2HB ALA 89 2HB ALA 89 1.897 -0.034 14.976 632 3HB ALA 89 3HB ALA 89 2.048 -1.752 14.536 633 H ASP 90 HN ASP 90 0.608 -3.345 13.780 634 HA ASP 90 HA ASP 90 -1.937 -3.846 14.928 635 1HB ASP 90 2HB ASP 90 -1.111 -5.487 13.386 636 2HB ASP 90 3HB ASP 90 0.459 -5.549 14.162 637 H LYS 91 HN LYS 91 0.877 -5.728 16.016 638 HA LYS 91 HA LYS 91 0.831 -4.398 18.616 639 1HB LYS 91 2HB LYS 91 0.673 -6.541 19.783 640 2HB LYS 91 3HB LYS 91 -0.756 -6.233 18.818 641 1HG LYS 91 2HG LYS 91 0.295 -7.648 16.963 642 2HG LYS 91 3HG LYS 91 1.570 -8.070 18.088 643 1HD LYS 91 2HD LYS 91 -0.906 -8.495 19.469 644 2HD LYS 91 3HD LYS 91 -1.103 -9.186 17.871 645 1HE LYS 91 2HE LYS 91 0.930 -10.548 18.147 646 2HE LYS 91 3HE LYS 91 1.295 -9.766 19.672 647 1HZ LYS 91 1HZ LYS 91 -0.173 -11.995 19.376 648 2HZ LYS 91 2HZ LYS 91 -0.150 -11.057 20.713 649 3HZ LYS 91 3HZ LYS 91 -1.326 -10.860 19.598 650 H ASP 92 HN ASP 92 2.558 -4.928 15.989 651 HA ASP 92 HA ASP 92 4.981 -5.037 17.486 652 1HB ASP 92 2HB ASP 92 4.005 -7.331 15.863 653 2HB ASP 92 3HB ASP 92 5.635 -6.827 15.460 654 H GLY 93 HN GLY 93 3.316 -3.255 15.653 655 1HA GLY 93 1HA GLY 93 4.141 -1.559 14.289 656 2HA GLY 93 2HA GLY 93 5.456 -2.592 13.767 657 H VAL 94 HN VAL 94 3.895 -4.978 13.157 658 HA VAL 94 HA VAL 94 3.403 -4.761 10.557 659 HB VAL 94 HB VAL 94 1.635 -6.319 12.449 660 1HG1 VAL 94 1HG1 VAL 94 1.904 -6.225 9.569 661 2HG1 VAL 94 2HG1 VAL 94 2.331 -7.841 10.182 662 3HG1 VAL 94 3HG1 VAL 94 0.745 -7.132 10.570 663 1HG2 VAL 94 1HG2 VAL 94 4.522 -6.564 11.829 664 2HG2 VAL 94 2HG2 VAL 94 3.596 -7.120 13.244 665 3HG2 VAL 94 3HG2 VAL 94 3.584 -8.075 11.741 666 H ALA 95 HN ALA 95 2.497 -2.932 9.661 667 HA ALA 95 HA ALA 95 -0.152 -2.169 10.656 668 1HB ALA 95 1HB ALA 95 0.897 -0.334 8.721 669 2HB ALA 95 2HB ALA 95 0.650 -0.081 10.465 670 3HB ALA 95 3HB ALA 95 2.199 -0.724 9.870 671 H ASP 96 HN ASP 96 -1.889 -2.867 9.527 672 HA ASP 96 HA ASP 96 -1.387 -3.677 6.780 673 1HB ASP 96 2HB ASP 96 -3.259 -5.160 6.989 674 2HB ASP 96 3HB ASP 96 -2.348 -5.333 8.476 675 H VAL 97 HN VAL 97 -2.942 -2.968 5.113 676 HA VAL 97 HA VAL 97 -4.622 -0.719 5.985 677 HB VAL 97 HB VAL 97 -3.113 -0.991 3.380 678 1HG1 VAL 97 1HG1 VAL 97 -3.679 1.528 3.318 679 2HG1 VAL 97 2HG1 VAL 97 -4.976 0.367 2.949 680 3HG1 VAL 97 3HG1 VAL 97 -4.903 1.140 4.551 681 1HG2 VAL 97 1HG2 VAL 97 -2.139 1.219 4.818 682 2HG2 VAL 97 2HG2 VAL 97 -2.212 -0.117 5.992 683 3HG2 VAL 97 3HG2 VAL 97 -1.293 -0.311 4.480 684 H SER 98 HN SER 98 -6.530 -0.332 4.541 685 HA SER 98 HA SER 98 -7.262 -2.293 2.691 686 1HB SER 98 2HB SER 98 -9.085 -3.398 3.904 687 2HB SER 98 3HB SER 98 -7.567 -3.671 4.737 688 HG SER 98 HG SER 98 -8.717 -2.988 6.433 689 H ILE 99 HN ILE 99 -7.619 -0.259 1.554 690 HA ILE 99 HA ILE 99 -10.107 1.046 2.404 691 HB ILE 99 HB ILE 99 -7.633 2.366 1.283 692 1HG1 ILE 99 2HG1 ILE 99 -8.740 3.263 3.863 693 2HG1 ILE 99 3HG1 ILE 99 -8.111 1.628 3.888 694 1HG2 ILE 99 1HG2 ILE 99 -10.440 3.345 1.712 695 2HG2 ILE 99 2HG2 ILE 99 -9.063 4.462 1.872 696 3HG2 ILE 99 3HG2 ILE 99 -9.340 3.604 0.337 697 1HD1 ILE 99 1HD1 ILE 99 -6.628 4.146 3.017 698 2HD1 ILE 99 2HD1 ILE 99 -6.282 3.123 4.432 699 3HD1 ILE 99 3HD1 ILE 99 -5.986 2.501 2.790 700 H GLU 100 HN GLU 100 -11.353 1.998 0.590 701 HA GLU 100 HA GLU 100 -10.651 0.741 -1.940 702 1HB GLU 100 2HB GLU 100 -13.104 0.377 -0.302 703 2HB GLU 100 3HB GLU 100 -13.415 0.720 -1.992 704 1HG GLU 100 2HG GLU 100 -12.141 -1.186 -2.729 705 2HG GLU 100 3HG GLU 100 -11.388 -1.393 -1.160 706 H ASP 101 HN ASP 101 -10.088 2.513 -3.162 707 HA ASP 101 HA ASP 101 -11.707 4.889 -2.850 708 1HB ASP 101 2HB ASP 101 -9.027 4.275 -4.137 709 2HB ASP 101 3HB ASP 101 -9.871 5.756 -4.542 710 H SER 102 HN SER 102 -13.407 5.145 -4.306 711 HA SER 102 HA SER 102 -13.171 3.719 -6.831 712 1HB SER 102 2HB SER 102 -15.661 3.956 -6.944 713 2HB SER 102 3HB SER 102 -15.126 3.065 -5.533 714 HG SER 102 HG SER 102 -16.286 4.474 -4.420 715 H VAL 103 HN VAL 103 -11.711 5.532 -7.577 716 HA VAL 103 HA VAL 103 -13.243 7.452 -9.010 717 HB VAL 103 HB VAL 103 -11.681 9.303 -7.881 718 1HG1 VAL 103 1HG1 VAL 103 -13.612 10.189 -6.932 719 2HG1 VAL 103 2HG1 VAL 103 -14.265 9.081 -8.163 720 3HG1 VAL 103 3HG1 VAL 103 -14.235 8.593 -6.451 721 1HG2 VAL 103 1HG2 VAL 103 -12.354 7.466 -5.560 722 2HG2 VAL 103 2HG2 VAL 103 -10.729 7.671 -6.256 723 3HG2 VAL 103 3HG2 VAL 103 -11.544 9.048 -5.478 724 H ILE 104 HN ILE 104 -10.007 6.513 -7.689 725 HA ILE 104 HA ILE 104 -8.762 7.375 -10.156 726 HB ILE 104 HB ILE 104 -6.730 7.107 -9.066 727 1HG1 ILE 104 2HG1 ILE 104 -7.181 4.766 -8.294 728 2HG1 ILE 104 3HG1 ILE 104 -6.279 5.755 -7.163 729 1HG2 ILE 104 1HG2 ILE 104 -7.123 8.113 -6.751 730 2HG2 ILE 104 2HG2 ILE 104 -7.768 9.003 -8.151 731 3HG2 ILE 104 3HG2 ILE 104 -8.859 8.029 -7.136 732 1HD1 ILE 104 1HD1 ILE 104 -9.167 4.859 -7.007 733 2HD1 ILE 104 2HD1 ILE 104 -7.888 4.741 -5.774 734 3HD1 ILE 104 3HD1 ILE 104 -8.638 6.316 -6.131 735 H SER 105 HN SER 105 -7.020 5.706 -11.039 736 HA SER 105 HA SER 105 -7.975 3.010 -10.877 737 1HB SER 105 2HB SER 105 -9.289 4.340 -12.727 738 2HB SER 105 3HB SER 105 -7.799 4.237 -13.644 739 HG SER 105 HG SER 105 -9.709 2.357 -13.390 740 H LEU 106 HN LEU 106 -6.511 1.596 -12.489 741 HA LEU 106 HA LEU 106 -3.821 2.270 -11.825 742 1HB LEU 106 2HB LEU 106 -5.072 0.001 -13.372 743 2HB LEU 106 3HB LEU 106 -3.349 0.140 -13.085 744 HG LEU 106 HG LEU 106 -4.959 -1.301 -11.530 745 1HD1 LEU 106 1HD1 LEU 106 -2.618 0.338 -10.518 746 2HD1 LEU 106 2HD1 LEU 106 -3.280 -1.122 -9.743 747 3HD1 LEU 106 3HD1 LEU 106 -2.534 -1.230 -11.356 748 1HD2 LEU 106 1HD2 LEU 106 -5.056 1.460 -10.287 749 2HD2 LEU 106 2HD2 LEU 106 -6.428 0.468 -10.836 750 3HD2 LEU 106 3HD2 LEU 106 -5.459 -0.050 -9.435 751 H SER 107 HN SER 107 -5.852 2.221 -14.798 752 HA SER 107 HA SER 107 -3.842 3.932 -15.990 753 1HB SER 107 2HB SER 107 -4.613 1.221 -16.913 754 2HB SER 107 3HB SER 107 -4.696 2.439 -18.170 755 HG SER 107 HG SER 107 -2.555 1.261 -17.739 756 H GLY 108 HN GLY 108 -4.750 5.177 -17.896 757 1HA GLY 108 1HA GLY 108 -6.924 5.462 -19.136 758 2HA GLY 108 2HA GLY 108 -7.660 5.561 -17.549 759 H ASP 109 HN ASP 109 -6.994 7.341 -16.069 760 HA ASP 109 HA ASP 109 -5.640 9.501 -17.439 761 1HB ASP 109 2HB ASP 109 -8.491 9.393 -16.787 762 2HB ASP 109 3HB ASP 109 -7.724 10.706 -15.917 763 H HIS 110 HN HIS 110 -7.290 8.274 -14.443 764 HA HIS 110 HA HIS 110 -5.394 9.803 -12.841 765 1HB HIS 110 2HB HIS 110 -8.136 8.713 -12.405 766 2HB HIS 110 3HB HIS 110 -7.072 8.781 -11.014 767 HD1 HIS 110 HD1 HIS 110 -8.468 11.108 -13.712 768 HD2 HIS 110 HD2 HIS 110 -6.904 11.254 -9.822 769 HE1 HIS 110 HE1 HIS 110 -8.771 13.511 -12.909 770 H SER 111 HN SER 111 -3.746 8.166 -13.772 771 HA SER 111 HA SER 111 -3.915 5.508 -12.963 772 1HB SER 111 2HB SER 111 -1.591 5.347 -13.667 773 2HB SER 111 3HB SER 111 -2.447 6.376 -14.798 774 HG SER 111 HG SER 111 -0.280 6.972 -13.221 775 H ILE 112 HN ILE 112 -3.201 4.440 -11.092 776 HA ILE 112 HA ILE 112 -2.633 6.164 -8.845 777 HB ILE 112 HB ILE 112 -3.141 4.332 -7.498 778 1HG1 ILE 112 2HG1 ILE 112 -3.499 2.010 -8.707 779 2HG1 ILE 112 3HG1 ILE 112 -2.369 2.669 -9.873 780 1HG2 ILE 112 1HG2 ILE 112 -5.001 3.489 -9.623 781 2HG2 ILE 112 2HG2 ILE 112 -5.321 4.141 -7.998 782 3HG2 ILE 112 3HG2 ILE 112 -4.929 5.245 -9.339 783 1HD1 ILE 112 1HD1 ILE 112 -1.524 1.340 -7.703 784 2HD1 ILE 112 2HD1 ILE 112 -0.601 2.711 -8.363 785 3HD1 ILE 112 3HD1 ILE 112 -1.668 2.950 -6.959 786 H ILE 113 HN ILE 113 -1.000 3.852 -11.006 787 HA ILE 113 HA ILE 113 1.205 3.208 -9.555 788 HB ILE 113 HB ILE 113 1.008 3.880 -12.492 789 1HG1 ILE 113 2HG1 ILE 113 0.449 1.392 -10.886 790 2HG1 ILE 113 3HG1 ILE 113 -0.566 2.191 -12.071 791 1HG2 ILE 113 1HG2 ILE 113 2.980 1.876 -11.730 792 2HG2 ILE 113 2HG2 ILE 113 3.137 3.300 -12.786 793 3HG2 ILE 113 3HG2 ILE 113 3.328 3.473 -11.025 794 1HD1 ILE 113 1HD1 ILE 113 0.227 0.558 -13.471 795 2HD1 ILE 113 2HD1 ILE 113 1.631 1.642 -13.619 796 3HD1 ILE 113 3HD1 ILE 113 1.678 0.276 -12.479 797 H GLY 114 HN GLY 114 3.073 4.193 -8.855 798 1HA GLY 114 1HA GLY 114 4.693 5.984 -9.362 799 2HA GLY 114 2HA GLY 114 3.325 7.070 -9.506 800 H ARG 115 HN ARG 115 2.083 5.239 -7.186 801 HA ARG 115 HA ARG 115 3.224 6.917 -5.132 802 1HB ARG 115 2HB ARG 115 0.601 5.604 -5.621 803 2HB ARG 115 3HB ARG 115 1.129 5.494 -3.953 804 1HG ARG 115 2HG ARG 115 0.537 7.652 -3.605 805 2HG ARG 115 3HG ARG 115 1.677 8.176 -4.827 806 1HD ARG 115 2HD ARG 115 -0.858 7.005 -5.893 807 2HD ARG 115 3HD ARG 115 -1.051 8.510 -5.017 808 HE ARG 115 HE ARG 115 1.166 8.689 -6.873 809 1HH1 ARG 115 2HH2 ARG 115 -2.348 8.756 -6.711 810 2HH1 ARG 115 1HH2 ARG 115 -2.524 9.710 -8.146 811 1HH2 ARG 115 2HH1 ARG 115 0.935 9.948 -8.766 812 2HH2 ARG 115 1HH1 ARG 115 -0.643 10.393 -9.322 813 H THR 116 HN THR 116 3.147 5.693 -2.804 814 HA THR 116 HA THR 116 3.802 2.903 -2.926 815 HB THR 116 HB THR 116 5.917 4.077 -3.735 816 HG1 THR 116 1HG THR 116 5.911 2.896 -1.046 817 1HG2 THR 116 1HG2 THR 116 5.934 6.126 -2.399 818 2HG2 THR 116 2HG2 THR 116 5.766 5.196 -0.890 819 3HG2 THR 116 3HG2 THR 116 7.278 5.109 -1.826 820 H LEU 117 HN LEU 117 3.288 1.916 -1.049 821 HA LEU 117 HA LEU 117 2.088 3.523 0.964 822 1HB LEU 117 2HB LEU 117 1.569 1.104 0.099 823 2HB LEU 117 3HB LEU 117 2.749 0.623 1.302 824 HG LEU 117 HG LEU 117 0.777 0.418 2.469 825 1HD1 LEU 117 1HD1 LEU 117 1.846 3.192 2.984 826 2HD1 LEU 117 2HD1 LEU 117 0.541 2.478 3.961 827 3HD1 LEU 117 3HD1 LEU 117 2.136 1.692 3.897 828 1HD2 LEU 117 1HD2 LEU 117 -1.135 1.161 1.634 829 2HD2 LEU 117 2HD2 LEU 117 -0.703 2.823 2.103 830 3HD2 LEU 117 3HD2 LEU 117 -0.246 2.204 0.498 831 H VAL 118 HN VAL 118 4.291 4.808 1.058 832 HA VAL 118 HA VAL 118 6.371 3.548 2.538 833 HB VAL 118 HB VAL 118 5.740 6.288 1.524 834 1HG1 VAL 118 1HG1 VAL 118 7.745 7.206 2.608 835 2HG1 VAL 118 2HG1 VAL 118 6.539 6.688 3.810 836 3HG1 VAL 118 3HG1 VAL 118 7.971 5.679 3.494 837 1HG2 VAL 118 1HG2 VAL 118 7.420 5.906 0.045 838 2HG2 VAL 118 2HG2 VAL 118 8.414 5.024 1.229 839 3HG2 VAL 118 3HG2 VAL 118 7.056 4.205 0.420 840 H VAL 119 HN VAL 119 7.033 4.086 4.737 841 HA VAL 119 HA VAL 119 4.799 5.082 6.362 842 HB VAL 119 HB VAL 119 5.994 3.374 8.049 843 1HG1 VAL 119 1HG1 VAL 119 3.827 2.732 6.023 844 2HG1 VAL 119 2HG1 VAL 119 4.184 1.748 7.463 845 3HG1 VAL 119 3HG1 VAL 119 3.617 3.425 7.650 846 1HG2 VAL 119 1HG2 VAL 119 6.632 1.318 6.980 847 2HG2 VAL 119 2HG2 VAL 119 6.197 1.953 5.375 848 3HG2 VAL 119 3HG2 VAL 119 7.588 2.633 6.254 849 H HIS 120 HN HIS 120 6.036 5.170 8.830 850 HA HIS 120 HA HIS 120 8.536 6.588 8.402 851 1HB HIS 120 2HB HIS 120 5.977 7.792 9.381 852 2HB HIS 120 3HB HIS 120 7.474 8.315 10.126 853 HD1 HIS 120 HD1 HIS 120 9.424 8.891 8.066 854 HD2 HIS 120 HD2 HIS 120 5.334 9.399 7.284 855 HE1 HIS 120 HE1 HIS 120 9.268 10.494 6.087 856 H GLU 121 HN GLU 121 9.891 6.652 10.290 857 HA GLU 121 HA GLU 121 9.273 4.493 12.065 858 1HB GLU 121 2HB GLU 121 11.592 5.247 10.935 859 2HB GLU 121 3HB GLU 121 11.727 6.206 12.396 860 1HG GLU 121 2HG GLU 121 11.132 4.006 13.674 861 2HG GLU 121 3HG GLU 121 11.468 3.183 12.164 862 H LYS 122 HN LYS 122 7.374 6.439 12.479 863 HA LYS 122 HA LYS 122 7.247 6.831 15.101 864 1HB LYS 122 2HB LYS 122 9.268 8.664 14.001 865 2HB LYS 122 3HB LYS 122 8.030 9.471 14.942 866 1HG LYS 122 2HG LYS 122 8.849 7.002 16.275 867 2HG LYS 122 3HG LYS 122 10.254 7.990 15.926 868 1HD LYS 122 2HD LYS 122 9.711 9.474 17.558 869 2HD LYS 122 3HD LYS 122 8.094 9.680 16.915 870 1HE LYS 122 2HE LYS 122 7.183 7.976 18.262 871 2HE LYS 122 3HE LYS 122 8.714 7.141 18.431 872 1HZ LYS 122 1HZ LYS 122 9.113 9.601 19.529 873 2HZ LYS 122 2HZ LYS 122 7.627 9.168 20.048 874 3HZ LYS 122 3HZ LYS 122 8.908 8.198 20.338 875 H ALA 123 HN ALA 123 5.712 8.735 15.716 876 HA ALA 123 HA ALA 123 3.842 8.992 13.483 877 1HB ALA 123 1HB ALA 123 3.156 9.732 16.308 878 2HB ALA 123 2HB ALA 123 2.157 8.951 15.059 879 3HB ALA 123 3HB ALA 123 3.391 8.009 15.928 880 H ASP 124 HN ASP 124 2.603 11.118 13.383 881 HA ASP 124 HA ASP 124 4.533 13.191 13.317 882 1HB ASP 124 2HB ASP 124 2.665 12.838 11.627 883 2HB ASP 124 3HB ASP 124 1.517 13.326 12.857 884 H ASP 125 HN ASP 125 2.398 11.880 15.665 885 HA ASP 125 HA ASP 125 1.829 12.480 17.670 886 1HB ASP 125 2HB ASP 125 4.208 13.623 17.541 887 2HB ASP 125 3HB ASP 125 3.307 15.121 17.429 888 H LEU 126 HN LEU 126 0.390 13.392 15.180 889 HA LEU 126 HA LEU 126 -1.259 14.712 14.528 890 1HB LEU 126 2HB LEU 126 -1.620 14.633 17.500 891 2HB LEU 126 3HB LEU 126 -2.669 15.646 16.527 892 HG LEU 126 HG LEU 126 -2.329 12.778 15.734 893 1HD1 LEU 126 1HD1 LEU 126 -4.515 13.288 17.654 894 2HD1 LEU 126 2HD1 LEU 126 -3.477 11.859 17.436 895 3HD1 LEU 126 3HD1 LEU 126 -2.874 13.266 18.345 896 1HD2 LEU 126 1HD2 LEU 126 -3.929 13.340 14.308 897 2HD2 LEU 126 2HD2 LEU 126 -5.019 13.685 15.672 898 3HD2 LEU 126 3HD2 LEU 126 -3.998 14.979 15.000 899 H GLY 127 HN GLY 127 1.525 15.855 15.192 900 1HA GLY 127 1HA GLY 127 2.056 18.029 14.309 901 2HA GLY 127 2HA GLY 127 0.673 18.686 15.161 902 H LYS 128 HN LYS 128 4.051 17.863 15.339 903 HA LYS 128 HA LYS 128 4.372 17.638 18.096 904 1HB LYS 128 2HB LYS 128 5.993 17.613 15.805 905 2HB LYS 128 3HB LYS 128 6.611 18.936 16.772 906 1HG LYS 128 2HG LYS 128 6.107 16.893 18.654 907 2HG LYS 128 3HG LYS 128 6.758 16.041 17.268 908 1HD LYS 128 2HD LYS 128 8.831 17.105 17.398 909 2HD LYS 128 3HD LYS 128 8.162 18.572 18.085 910 1HE LYS 128 2HE LYS 128 7.681 16.417 19.952 911 2HE LYS 128 3HE LYS 128 9.364 16.346 19.468 912 1HZ LYS 128 1HZ LYS 128 8.039 18.805 20.374 913 2HZ LYS 128 2HZ LYS 128 8.924 17.834 21.344 914 3HZ LYS 128 3HZ LYS 128 9.635 18.603 20.092 915 H GLY 129 HN GLY 129 5.378 20.535 16.159 916 1HA GLY 129 1HA GLY 129 3.914 22.537 17.023 917 2HA GLY 129 2HA GLY 129 4.800 22.198 18.496 918 H GLY 130 HN GLY 130 7.110 21.166 16.594 919 1HA GLY 130 1HA GLY 130 8.719 23.440 16.746 920 2HA GLY 130 2HA GLY 130 9.028 22.008 15.783 921 H ASN 131 HN ASN 131 9.979 23.586 14.207 922 HA ASN 131 HA ASN 131 7.878 24.444 12.419 923 1HB ASN 131 2HB ASN 131 9.158 26.617 12.006 924 2HB ASN 131 3HB ASN 131 8.392 26.522 13.579 925 1HD2 ASN 131 1HD2 ASN 131 9.573 26.516 15.403 926 2HD2 ASN 131 2HD2 ASN 131 11.297 26.663 15.478 927 H GLU 132 HN GLU 132 8.458 23.887 10.289 928 HA GLU 132 HA GLU 132 9.755 23.532 8.539 929 1HB GLU 132 2HB GLU 132 11.540 24.972 9.910 930 2HB GLU 132 3HB GLU 132 12.326 23.419 10.112 931 1HG GLU 132 2HG GLU 132 11.763 23.320 7.426 932 2HG GLU 132 3HG GLU 132 11.952 25.050 7.633 933 H GLN 133 HN GLN 133 9.568 21.778 11.452 934 HA GLN 133 HA GLN 133 10.648 19.410 10.138 935 1HB GLN 133 2HB GLN 133 10.900 20.452 12.845 936 2HB GLN 133 3HB GLN 133 10.185 18.853 12.890 937 1HG GLN 133 2HG GLN 133 12.706 18.823 12.966 938 2HG GLN 133 3HG GLN 133 12.040 17.894 11.638 939 1HE2 GLN 133 1HE2 GLN 133 12.517 18.394 9.595 940 2HE2 GLN 133 2HE2 GLN 133 13.500 19.725 9.081 941 H SER 134 HN SER 134 8.139 20.257 12.643 942 HA SER 134 HA SER 134 6.591 18.015 11.905 943 1HB SER 134 2HB SER 134 5.025 18.794 13.590 944 2HB SER 134 3HB SER 134 6.651 19.009 14.209 945 HG SER 134 HG SER 134 4.795 20.863 14.109 946 H THR 135 HN THR 135 6.866 21.359 10.858 947 HA THR 135 HA THR 135 4.232 21.600 9.799 948 HB THR 135 HB THR 135 5.430 23.587 8.616 949 HG1 THR 135 1HG THR 135 7.557 22.546 8.738 950 1HG2 THR 135 1HG2 THR 135 4.542 24.467 10.572 951 2HG2 THR 135 2HG2 THR 135 5.158 23.125 11.566 952 3HG2 THR 135 3HG2 THR 135 6.245 24.451 11.090 953 H LYS 136 HN LYS 136 6.885 19.677 8.903 954 HA LYS 136 HA LYS 136 5.900 19.617 6.135 955 1HB LYS 136 2HB LYS 136 8.573 19.855 7.209 956 2HB LYS 136 3HB LYS 136 8.438 18.380 6.273 957 1HG LYS 136 2HG LYS 136 7.041 20.388 4.792 958 2HG LYS 136 3HG LYS 136 8.532 21.134 5.334 959 1HD LYS 136 2HD LYS 136 9.291 18.535 4.485 960 2HD LYS 136 3HD LYS 136 8.132 19.075 3.286 961 1HE LYS 136 2HE LYS 136 9.419 21.149 2.907 962 2HE LYS 136 3HE LYS 136 10.527 20.738 4.201 963 1HZ LYS 136 1HZ LYS 136 10.129 18.928 1.939 964 2HZ LYS 136 2HZ LYS 136 11.191 20.166 1.852 965 3HZ LYS 136 3HZ LYS 136 11.390 18.997 2.975 966 H THR 137 HN THR 137 7.387 17.584 8.755 967 HA THR 137 HA THR 137 5.680 15.385 7.786 968 HB THR 137 HB THR 137 7.554 13.897 8.570 969 HG1 THR 137 1HG THR 137 9.556 15.197 9.079 970 1HG2 THR 137 1HG2 THR 137 7.577 15.466 6.240 971 2HG2 THR 137 2HG2 THR 137 9.165 15.795 6.973 972 3HG2 THR 137 3HG2 THR 137 8.692 14.123 6.589 973 H GLY 138 HN GLY 138 7.691 15.525 10.737 974 1HA GLY 138 1HA GLY 138 5.718 16.344 12.534 975 2HA GLY 138 2HA GLY 138 5.578 14.606 12.363 976 H ASN 139 HN ASN 139 8.606 16.543 12.065 977 HA ASN 139 HA ASN 139 10.551 16.234 13.018 978 1HB ASN 139 2HB ASN 139 8.838 17.441 14.806 979 2HB ASN 139 3HB ASN 139 9.363 16.076 15.772 980 1HD2 ASN 139 1HD2 ASN 139 11.792 15.629 15.625 981 2HD2 ASN 139 2HD2 ASN 139 12.847 16.992 15.796 982 H ALA 140 HN ALA 140 9.598 13.740 12.178 983 HA ALA 140 HA ALA 140 11.008 11.964 13.829 984 1HB ALA 140 1HB ALA 140 8.567 12.468 14.926 985 2HB ALA 140 2HB ALA 140 8.154 11.123 13.836 986 3HB ALA 140 3HB ALA 140 9.413 10.909 15.075 987 H GLY 141 HN GLY 141 8.427 12.507 11.382 988 1HA GLY 141 1HA GLY 141 8.229 10.249 10.001 989 2HA GLY 141 2HA GLY 141 8.412 11.804 9.215 990 H SER 142 HN SER 142 9.965 8.758 10.063 991 HA SER 142 HA SER 142 12.397 9.694 8.764 992 1HB SER 142 2HB SER 142 12.956 8.821 10.904 993 2HB SER 142 3HB SER 142 11.830 7.486 10.761 994 HG SER 142 HG SER 142 13.898 7.618 8.814 995 H ARG 143 HN ARG 143 12.037 9.368 6.559 996 HA ARG 143 HA ARG 143 10.442 7.615 5.380 997 1HB ARG 143 2HB ARG 143 11.985 9.390 4.320 998 2HB ARG 143 3HB ARG 143 13.258 8.187 4.340 999 1HG ARG 143 2HG ARG 143 10.848 7.016 3.202 1000 2HG ARG 143 3HG ARG 143 11.203 8.522 2.380 1001 1HD ARG 143 2HD ARG 143 13.682 7.048 2.777 1002 2HD ARG 143 3HD ARG 143 12.499 5.993 2.028 1003 HE ARG 143 HE ARG 143 12.242 8.333 0.575 1004 1HH1 ARG 143 2HH2 ARG 143 14.979 6.286 1.414 1005 2HH1 ARG 143 1HH2 ARG 143 15.873 6.675 -0.018 1006 1HH2 ARG 143 2HH1 ARG 143 13.421 8.847 -1.314 1007 2HH2 ARG 143 1HH1 ARG 143 14.980 8.142 -1.580 1008 H LEU 144 HN LEU 144 10.723 5.468 4.351 1009 HA LEU 144 HA LEU 144 12.980 3.920 5.348 1010 1HB LEU 144 2HB LEU 144 10.113 3.043 5.712 1011 2HB LEU 144 3HB LEU 144 11.550 2.136 6.142 1012 HG LEU 144 HG LEU 144 11.633 4.705 7.443 1013 1HD1 LEU 144 1HD1 LEU 144 9.678 4.694 8.783 1014 2HD1 LEU 144 2HD1 LEU 144 9.137 4.545 7.094 1015 3HD1 LEU 144 3HD1 LEU 144 9.162 3.112 8.150 1016 1HD2 LEU 144 1HD2 LEU 144 11.925 1.853 8.068 1017 2HD2 LEU 144 2HD2 LEU 144 12.829 3.264 8.666 1018 3HD2 LEU 144 3HD2 LEU 144 11.272 2.825 9.408 1019 H ALA 145 HN ALA 145 10.802 1.694 4.326 1020 HA ALA 145 HA ALA 145 12.081 1.345 1.845 1021 1HB ALA 145 1HB ALA 145 11.278 -0.690 2.375 1022 2HB ALA 145 2HB ALA 145 10.124 -0.001 3.542 1023 3HB ALA 145 3HB ALA 145 9.686 -0.119 1.821 1024 H CYS 146 HN CYS 146 10.542 0.965 -0.210 1025 HA CYS 146 HA CYS 146 8.617 3.142 -0.362 1026 1HB CYS 146 2HB CYS 146 9.567 3.798 -2.590 1027 2HB CYS 146 3HB CYS 146 10.509 4.259 -1.186 1028 H GLY 147 HN GLY 147 7.312 1.041 -0.145 1029 1HA GLY 147 1HA GLY 147 7.425 -0.936 -2.171 1030 2HA GLY 147 2HA GLY 147 6.130 -0.664 -1.023 1031 H VAL 148 HN VAL 148 7.592 0.900 -3.965 1032 HA VAL 148 HA VAL 148 5.303 2.349 -4.634 1033 HB VAL 148 HB VAL 148 7.875 1.591 -5.856 1034 1HG1 VAL 148 1HG1 VAL 148 7.239 2.339 -8.117 1035 2HG1 VAL 148 2HG1 VAL 148 6.376 0.855 -7.646 1036 3HG1 VAL 148 3HG1 VAL 148 5.535 2.424 -7.606 1037 1HG2 VAL 148 1HG2 VAL 148 7.862 4.014 -6.445 1038 2HG2 VAL 148 2HG2 VAL 148 6.236 4.144 -5.733 1039 3HG2 VAL 148 3HG2 VAL 148 7.624 3.706 -4.708 1040 H ILE 149 HN ILE 149 3.440 1.851 -5.732 1041 HA ILE 149 HA ILE 149 2.894 -0.933 -6.105 1042 HB ILE 149 HB ILE 149 1.207 1.485 -6.756 1043 1HG1 ILE 149 2HG1 ILE 149 0.252 0.358 -4.405 1044 2HG1 ILE 149 3HG1 ILE 149 1.990 0.304 -4.192 1045 1HG2 ILE 149 1HG2 ILE 149 0.555 -1.452 -6.430 1046 2HG2 ILE 149 2HG2 ILE 149 -0.667 -0.158 -6.424 1047 3HG2 ILE 149 3HG2 ILE 149 0.334 -0.430 -7.871 1048 1HD1 ILE 149 1HD1 ILE 149 1.689 2.826 -5.261 1049 2HD1 ILE 149 2HD1 ILE 149 0.175 2.652 -4.342 1050 3HD1 ILE 149 3HD1 ILE 149 1.743 2.476 -3.517 1051 H GLY 150 HN GLY 150 3.060 -2.115 -7.946 1052 1HA GLY 150 1HA GLY 150 3.318 -0.641 -10.490 1053 2HA GLY 150 2HA GLY 150 4.490 -1.861 -10.033 1054 H ILE 151 HN ILE 151 2.536 -1.777 -12.330 1055 HA ILE 151 HA ILE 151 0.329 -3.302 -12.047 1056 HB ILE 151 HB ILE 151 2.377 -3.199 -14.251 1057 1HG1 ILE 151 2HG1 ILE 151 1.297 -1.103 -13.942 1058 2HG1 ILE 151 3HG1 ILE 151 0.576 -1.849 -15.354 1059 1HG2 ILE 151 1HG2 ILE 151 -0.101 -4.855 -14.028 1060 2HG2 ILE 151 2HG2 ILE 151 0.288 -4.103 -15.593 1061 3HG2 ILE 151 3HG2 ILE 151 1.451 -5.209 -14.824 1062 1HD1 ILE 151 1HD1 ILE 151 -1.179 -2.808 -13.598 1063 2HD1 ILE 151 2HD1 ILE 151 -0.606 -1.447 -12.605 1064 3HD1 ILE 151 3HD1 ILE 151 -1.331 -1.140 -14.202 1065 H ALA 152 HN ALA 152 -0.207 -5.518 -11.986 1066 HA ALA 152 HA ALA 152 2.077 -7.287 -11.440 1067 1HB ALA 152 1HB ALA 152 0.343 -6.417 -9.531 1068 2HB ALA 152 2HB ALA 152 -0.528 -7.854 -10.116 1069 3HB ALA 152 3HB ALA 152 1.132 -8.012 -9.493 1070 H GLN 153 HN GLN 153 1.250 -9.707 -11.606 1071 HA GLN 153 HA GLN 153 0.248 -9.921 -14.245 1072 1HB GLN 153 2HB GLN 153 0.637 -12.331 -13.955 1073 2HB GLN 153 3HB GLN 153 2.014 -11.423 -13.362 1074 1HG GLN 153 2HG GLN 153 0.447 -11.581 -11.081 1075 2HG GLN 153 3HG GLN 153 0.069 -13.104 -11.863 1076 1HE2 GLN 153 1HE2 GLN 153 1.391 -14.743 -11.604 1077 2HE2 GLN 153 2HE2 GLN 153 3.019 -14.686 -11.018 Start of MODEL 12 1 1H ALA 1 HN ALA 1 -9.651 -7.416 -11.574 2 HA ALA 1 HA ALA 1 -7.740 -8.697 -11.946 3 1HB ALA 1 1HB ALA 1 -8.119 -9.010 -14.148 4 2HB ALA 1 2HB ALA 1 -9.218 -7.613 -14.053 5 3HB ALA 1 3HB ALA 1 -7.527 -7.382 -14.557 6 H THR 2 HN THR 2 -7.339 -5.230 -11.931 7 HA THR 2 HA THR 2 -4.518 -5.353 -12.569 8 HB THR 2 HB THR 2 -6.430 -3.123 -11.702 9 HG1 THR 2 1HG THR 2 -6.517 -4.308 -13.876 10 1HG2 THR 2 1HG2 THR 2 -3.984 -2.392 -13.179 11 2HG2 THR 2 2HG2 THR 2 -4.676 -1.647 -11.718 12 3HG2 THR 2 3HG2 THR 2 -3.613 -3.068 -11.574 13 H LYS 3 HN LYS 3 -4.156 -7.033 -10.829 14 HA LYS 3 HA LYS 3 -4.215 -5.961 -8.147 15 1HB LYS 3 2HB LYS 3 -4.874 -8.258 -8.446 16 2HB LYS 3 3HB LYS 3 -3.392 -8.639 -9.298 17 1HG LYS 3 2HG LYS 3 -2.945 -7.413 -6.629 18 2HG LYS 3 3HG LYS 3 -3.794 -8.945 -6.563 19 1HD LYS 3 2HD LYS 3 -1.843 -9.601 -8.359 20 2HD LYS 3 3HD LYS 3 -0.993 -8.361 -7.458 21 1HE LYS 3 2HE LYS 3 -0.475 -10.258 -6.186 22 2HE LYS 3 3HE LYS 3 -1.881 -9.662 -5.326 23 1HZ LYS 3 1HZ LYS 3 -3.181 -11.302 -6.179 24 2HZ LYS 3 2HZ LYS 3 -2.282 -11.519 -7.525 25 3HZ LYS 3 3HZ LYS 3 -1.760 -12.103 -6.092 26 H ALA 4 HN ALA 4 -2.746 -4.295 -7.935 27 HA ALA 4 HA ALA 4 -0.104 -4.614 -9.058 28 1HB ALA 4 1HB ALA 4 -0.144 -2.366 -9.016 29 2HB ALA 4 2HB ALA 4 -1.818 -2.469 -8.418 30 3HB ALA 4 3HB ALA 4 -0.466 -2.351 -7.266 31 H VAL 5 HN VAL 5 1.863 -4.515 -7.747 32 HA VAL 5 HA VAL 5 1.410 -5.420 -4.990 33 HB VAL 5 HB VAL 5 3.585 -6.430 -6.822 34 1HG1 VAL 5 1HG1 VAL 5 2.908 -6.769 -3.999 35 2HG1 VAL 5 2HG1 VAL 5 3.038 -8.322 -4.858 36 3HG1 VAL 5 3HG1 VAL 5 4.402 -7.178 -4.875 37 1HG2 VAL 5 1HG2 VAL 5 1.015 -6.955 -7.367 38 2HG2 VAL 5 2HG2 VAL 5 2.305 -8.165 -7.569 39 3HG2 VAL 5 3HG2 VAL 5 1.283 -8.189 -6.113 40 H ALA 6 HN ALA 6 3.074 -4.803 -3.464 41 HA ALA 6 HA ALA 6 5.174 -3.071 -4.384 42 1HB ALA 6 1HB ALA 6 3.986 -1.445 -2.455 43 2HB ALA 6 2HB ALA 6 3.972 -1.170 -4.213 44 3HB ALA 6 3HB ALA 6 2.611 -2.010 -3.433 45 H VAL 7 HN VAL 7 6.514 -4.678 -3.419 46 HA VAL 7 HA VAL 7 6.071 -5.347 -0.655 47 HB VAL 7 HB VAL 7 6.854 -6.977 -2.318 48 1HG1 VAL 7 1HG1 VAL 7 8.465 -4.994 -3.278 49 2HG1 VAL 7 2HG1 VAL 7 9.631 -5.964 -2.347 50 3HG1 VAL 7 3HG1 VAL 7 8.669 -6.725 -3.637 51 1HG2 VAL 7 1HG2 VAL 7 8.943 -6.453 -0.178 52 2HG2 VAL 7 2HG2 VAL 7 7.364 -7.222 0.111 53 3HG2 VAL 7 3HG2 VAL 7 8.558 -8.011 -0.948 54 H LEU 8 HN LEU 8 6.365 -3.616 0.715 55 HA LEU 8 HA LEU 8 8.024 -1.495 0.371 56 1HB LEU 8 2HB LEU 8 7.062 -2.913 2.844 57 2HB LEU 8 3HB LEU 8 8.052 -1.470 2.940 58 HG LEU 8 HG LEU 8 5.479 -1.258 3.089 59 1HD1 LEU 8 1HD1 LEU 8 6.817 0.695 3.061 60 2HD1 LEU 8 2HD1 LEU 8 7.218 0.490 1.339 61 3HD1 LEU 8 3HD1 LEU 8 5.562 0.930 1.821 62 1HD2 LEU 8 1HD2 LEU 8 4.774 -2.552 1.228 63 2HD2 LEU 8 2HD2 LEU 8 4.425 -0.852 0.833 64 3HD2 LEU 8 3HD2 LEU 8 5.838 -1.660 0.113 65 H LYS 9 HN LYS 9 10.185 -0.990 0.717 66 HA LYS 9 HA LYS 9 11.940 -2.710 2.084 67 1HB LYS 9 2HB LYS 9 11.592 -4.159 0.129 68 2HB LYS 9 3HB LYS 9 12.075 -2.860 -0.943 69 1HG LYS 9 2HG LYS 9 14.290 -2.781 0.424 70 2HG LYS 9 3HG LYS 9 13.791 -4.315 1.109 71 1HD LYS 9 2HD LYS 9 13.453 -5.069 -1.390 72 2HD LYS 9 3HD LYS 9 14.432 -3.671 -1.790 73 1HE LYS 9 2HE LYS 9 16.364 -4.631 -1.001 74 2HE LYS 9 3HE LYS 9 15.571 -5.320 0.402 75 1HZ LYS 9 1HZ LYS 9 14.509 -6.820 -1.426 76 2HZ LYS 9 2HZ LYS 9 15.864 -6.435 -2.251 77 3HZ LYS 9 3HZ LYS 9 15.975 -7.169 -0.797 78 H GLY 10 HN GLY 10 13.162 -1.176 3.034 79 1HA GLY 10 1HA GLY 10 14.534 0.756 1.358 80 2HA GLY 10 2HA GLY 10 13.373 1.434 2.481 81 H ASP 11 HN ASP 11 13.894 1.643 4.660 82 HA ASP 11 HA ASP 11 16.381 1.821 5.488 83 1HB ASP 11 2HB ASP 11 14.169 2.264 6.758 84 2HB ASP 11 3HB ASP 11 14.235 0.589 7.269 85 H GLY 12 HN GLY 12 14.316 -1.078 6.315 86 1HA GLY 12 1HA GLY 12 15.831 -3.121 5.414 87 2HA GLY 12 2HA GLY 12 16.652 -2.677 6.897 88 HA PRO 13 HA PRO 13 13.534 -4.572 9.260 89 1HB PRO 13 2HB PRO 13 12.955 -2.865 11.315 90 2HB PRO 13 3HB PRO 13 14.392 -3.867 11.278 91 1HG PRO 13 2HG PRO 13 14.148 -0.961 10.797 92 2HG PRO 13 3HG PRO 13 15.581 -1.893 11.183 93 1HD PRO 13 2HD PRO 13 14.839 -0.872 8.607 94 2HD PRO 13 3HD PRO 13 16.209 -1.902 8.972 95 H VAL 14 HN VAL 14 12.366 -3.867 7.015 96 HA VAL 14 HA VAL 14 9.685 -3.674 7.794 97 HB VAL 14 HB VAL 14 10.572 -1.297 8.178 98 1HG1 VAL 14 1HG1 VAL 14 10.205 -1.004 5.195 99 2HG1 VAL 14 2HG1 VAL 14 10.928 0.136 6.355 100 3HG1 VAL 14 3HG1 VAL 14 11.799 -1.350 5.906 101 1HG2 VAL 14 1HG2 VAL 14 8.192 -1.667 6.328 102 2HG2 VAL 14 2HG2 VAL 14 8.177 -1.941 8.086 103 3HG2 VAL 14 3HG2 VAL 14 8.476 -0.308 7.443 104 H GLN 15 HN GLN 15 8.995 -5.186 6.365 105 HA GLN 15 HA GLN 15 9.675 -4.683 3.582 106 1HB GLN 15 2HB GLN 15 11.061 -6.571 4.603 107 2HB GLN 15 3HB GLN 15 9.570 -7.466 4.817 108 1HG GLN 15 2HG GLN 15 9.341 -6.708 2.171 109 2HG GLN 15 3HG GLN 15 11.080 -6.870 2.316 110 1HE2 GLN 15 1HE2 GLN 15 11.054 -8.846 4.389 111 2HE2 GLN 15 2HE2 GLN 15 10.548 -10.353 3.702 112 H GLY 16 HN GLY 16 7.361 -3.678 4.632 113 1HA GLY 16 1HA GLY 16 5.136 -5.268 4.882 114 2HA GLY 16 2HA GLY 16 5.145 -3.634 4.249 115 H ILE 17 HN ILE 17 3.254 -5.379 3.255 116 HA ILE 17 HA ILE 17 4.179 -5.657 0.510 117 HB ILE 17 HB ILE 17 2.887 -7.888 2.084 118 1HG1 ILE 17 2HG1 ILE 17 5.577 -7.873 0.697 119 2HG1 ILE 17 3HG1 ILE 17 5.378 -7.469 2.390 120 1HG2 ILE 17 1HG2 ILE 17 3.699 -7.940 -0.828 121 2HG2 ILE 17 2HG2 ILE 17 2.779 -9.158 0.088 122 3HG2 ILE 17 3HG2 ILE 17 2.044 -7.580 -0.280 123 1HD1 ILE 17 1HD1 ILE 17 4.339 -9.679 2.825 124 2HD1 ILE 17 2HD1 ILE 17 4.487 -10.090 1.100 125 3HD1 ILE 17 3HD1 ILE 17 5.949 -9.869 2.091 126 H ILE 18 HN ILE 18 2.916 -4.000 -0.267 127 HA ILE 18 HA ILE 18 0.061 -4.162 0.395 128 HB ILE 18 HB ILE 18 0.508 -2.076 1.067 129 1HG1 ILE 18 2HG1 ILE 18 0.193 -0.383 -0.749 130 2HG1 ILE 18 3HG1 ILE 18 0.360 -1.664 -1.933 131 1HG2 ILE 18 1HG2 ILE 18 2.863 -2.117 0.978 132 2HG2 ILE 18 2HG2 ILE 18 2.881 -2.119 -0.802 133 3HG2 ILE 18 3HG2 ILE 18 2.374 -0.659 0.081 134 1HD1 ILE 18 1HD1 ILE 18 -1.576 -2.323 0.205 135 2HD1 ILE 18 2HD1 ILE 18 -2.025 -0.886 -0.744 136 3HD1 ILE 18 3HD1 ILE 18 -1.751 -2.442 -1.562 137 H ASN 19 HN ASN 19 -1.423 -4.502 -1.218 138 HA ASN 19 HA ASN 19 -0.343 -4.469 -3.923 139 1HB ASN 19 2HB ASN 19 -2.499 -6.460 -3.242 140 2HB ASN 19 3HB ASN 19 -1.199 -6.599 -4.408 141 1HD2 ASN 19 1HD2 ASN 19 -2.183 -8.331 -2.179 142 2HD2 ASN 19 2HD2 ASN 19 -0.795 -8.709 -1.214 143 H PHE 20 HN PHE 20 -1.907 -3.774 -5.542 144 HA PHE 20 HA PHE 20 -4.384 -2.710 -4.378 145 1HB PHE 20 2HB PHE 20 -2.509 -1.855 -6.654 146 2HB PHE 20 3HB PHE 20 -4.115 -1.171 -6.500 147 HD1 PHE 20 1HD PHE 20 -4.371 0.778 -5.286 148 HD2 PHE 20 2HD PHE 20 -1.034 -1.710 -4.462 149 HE1 PHE 20 1HE PHE 20 -3.485 2.497 -3.685 150 HE2 PHE 20 2HE PHE 20 -0.147 0.009 -2.862 151 HZ PHE 20 HZ PHE 20 -1.384 2.092 -2.492 152 H GLU 21 HN GLU 21 -6.050 -4.071 -4.882 153 HA GLU 21 HA GLU 21 -5.953 -5.336 -7.491 154 1HB GLU 21 2HB GLU 21 -6.279 -6.763 -5.452 155 2HB GLU 21 3HB GLU 21 -7.772 -5.912 -5.110 156 1HG GLU 21 2HG GLU 21 -8.933 -6.977 -6.794 157 2HG GLU 21 3HG GLU 21 -7.564 -6.972 -7.889 158 H GLN 22 HN GLN 22 -7.859 -5.306 -8.901 159 HA GLN 22 HA GLN 22 -9.924 -3.449 -8.187 160 1HB GLN 22 2HB GLN 22 -8.140 -2.002 -9.178 161 2HB GLN 22 3HB GLN 22 -8.179 -2.963 -10.642 162 1HG GLN 22 2HG GLN 22 -10.833 -2.384 -10.451 163 2HG GLN 22 3HG GLN 22 -10.191 -0.987 -9.610 164 1HE2 GLN 22 1HE2 GLN 22 -10.691 0.491 -11.146 165 2HE2 GLN 22 2HE2 GLN 22 -9.941 0.588 -12.704 166 H LYS 23 HN LYS 23 -11.206 -5.413 -8.280 167 HA LYS 23 HA LYS 23 -11.251 -6.931 -10.699 168 1HB LYS 23 2HB LYS 23 -12.521 -7.036 -8.021 169 2HB LYS 23 3HB LYS 23 -13.464 -7.718 -9.331 170 1HG LYS 23 2HG LYS 23 -10.892 -8.694 -9.851 171 2HG LYS 23 3HG LYS 23 -10.965 -8.713 -8.100 172 1HD LYS 23 2HD LYS 23 -13.296 -9.861 -8.397 173 2HD LYS 23 3HD LYS 23 -12.816 -10.121 -10.062 174 1HE LYS 23 2HE LYS 23 -10.576 -11.067 -8.902 175 2HE LYS 23 3HE LYS 23 -11.655 -11.308 -7.542 176 1HZ LYS 23 1HZ LYS 23 -13.143 -12.325 -9.403 177 2HZ LYS 23 2HZ LYS 23 -11.711 -12.559 -10.152 178 3HZ LYS 23 3HZ LYS 23 -11.978 -13.213 -8.681 179 H GLU 24 HN GLU 24 -11.512 -4.574 -11.779 180 HA GLU 24 HA GLU 24 -14.219 -4.595 -12.677 181 1HB GLU 24 2HB GLU 24 -13.228 -2.515 -10.812 182 2HB GLU 24 3HB GLU 24 -13.959 -1.863 -12.266 183 1HG GLU 24 2HG GLU 24 -15.892 -2.119 -11.028 184 2HG GLU 24 3HG GLU 24 -15.833 -3.730 -11.716 185 H SER 25 HN SER 25 -11.027 -2.890 -12.638 186 HA SER 25 HA SER 25 -9.652 -2.579 -14.343 187 1HB SER 25 2HB SER 25 -11.154 -4.374 -15.590 188 2HB SER 25 3HB SER 25 -11.798 -2.981 -16.436 189 HG SER 25 HG SER 25 -10.092 -3.216 -17.710 190 H ASN 26 HN ASN 26 -12.736 -1.154 -13.787 191 HA ASN 26 HA ASN 26 -11.698 1.376 -14.599 192 1HB ASN 26 2HB ASN 26 -13.245 0.030 -16.487 193 2HB ASN 26 3HB ASN 26 -14.463 0.969 -15.647 194 1HD2 ASN 26 1HD2 ASN 26 -14.041 1.500 -18.221 195 2HD2 ASN 26 2HD2 ASN 26 -13.225 3.010 -18.460 196 H GLY 27 HN GLY 27 -12.637 -0.214 -12.170 197 1HA GLY 27 1HA GLY 27 -14.807 1.600 -11.298 198 2HA GLY 27 2HA GLY 27 -14.750 -0.099 -10.872 199 HA PRO 28 HA PRO 28 -12.612 1.819 -7.461 200 1HB PRO 28 2HB PRO 28 -13.494 0.095 -5.532 201 2HB PRO 28 3HB PRO 28 -14.337 1.572 -5.956 202 1HG PRO 28 2HG PRO 28 -15.033 -1.219 -6.636 203 2HG PRO 28 3HG PRO 28 -16.052 0.207 -6.672 204 1HD PRO 28 2HD PRO 28 -14.864 -1.112 -8.926 205 2HD PRO 28 3HD PRO 28 -15.786 0.378 -8.949 206 H VAL 29 HN VAL 29 -10.747 1.346 -6.211 207 HA VAL 29 HA VAL 29 -9.585 -1.205 -7.096 208 HB VAL 29 HB VAL 29 -8.208 1.409 -6.446 209 1HG1 VAL 29 1HG1 VAL 29 -6.635 -0.501 -7.948 210 2HG1 VAL 29 2HG1 VAL 29 -6.273 0.297 -6.398 211 3HG1 VAL 29 3HG1 VAL 29 -7.201 -1.222 -6.422 212 1HG2 VAL 29 1HG2 VAL 29 -8.271 0.154 -9.179 213 2HG2 VAL 29 2HG2 VAL 29 -9.632 1.160 -8.630 214 3HG2 VAL 29 3HG2 VAL 29 -7.993 1.849 -8.713 215 H LYS 30 HN LYS 30 -9.686 -2.653 -5.456 216 HA LYS 30 HA LYS 30 -9.875 -1.770 -2.753 217 1HB LYS 30 2HB LYS 30 -10.003 -4.347 -4.230 218 2HB LYS 30 3HB LYS 30 -9.492 -4.438 -2.556 219 1HG LYS 30 2HG LYS 30 -11.515 -3.280 -1.803 220 2HG LYS 30 3HG LYS 30 -11.989 -2.928 -3.453 221 1HD LYS 30 2HD LYS 30 -12.550 -5.187 -3.919 222 2HD LYS 30 3HD LYS 30 -11.564 -5.808 -2.610 223 1HE LYS 30 2HE LYS 30 -13.187 -4.561 -1.006 224 2HE LYS 30 3HE LYS 30 -14.236 -4.360 -2.395 225 1HZ LYS 30 1HZ LYS 30 -13.221 -6.964 -1.489 226 2HZ LYS 30 2HZ LYS 30 -14.684 -6.362 -1.084 227 3HZ LYS 30 3HZ LYS 30 -14.345 -6.703 -2.645 228 H VAL 31 HN VAL 31 -8.068 -0.675 -2.038 229 HA VAL 31 HA VAL 31 -5.480 -1.930 -2.520 230 HB VAL 31 HB VAL 31 -6.156 0.738 -1.268 231 1HG1 VAL 31 1HG1 VAL 31 -3.909 -0.178 -0.735 232 2HG1 VAL 31 2HG1 VAL 31 -3.559 -0.271 -2.478 233 3HG1 VAL 31 3HG1 VAL 31 -3.838 1.310 -1.708 234 1HG2 VAL 31 1HG2 VAL 31 -5.831 -0.098 -4.135 235 2HG2 VAL 31 2HG2 VAL 31 -6.984 1.045 -3.404 236 3HG2 VAL 31 3HG2 VAL 31 -5.282 1.517 -3.625 237 H TRP 32 HN TRP 32 -4.365 -3.016 -0.955 238 HA TRP 32 HA TRP 32 -4.916 -2.519 1.817 239 1HB TRP 32 2HB TRP 32 -5.808 -4.582 2.438 240 2HB TRP 32 3HB TRP 32 -6.772 -4.056 1.072 241 HD1 TRP 32 HD1 TRP 32 -3.983 -6.633 1.888 242 HE1 TRP 32 HE1 TRP 32 -4.021 -8.634 0.168 243 HE3 TRP 32 HE3 TRP 32 -7.532 -4.636 -1.158 244 HZ2 TRP 32 HZ2 TRP 32 -5.498 -9.145 -2.219 245 HZ3 TRP 32 HZ3 TRP 32 -8.215 -5.951 -3.162 246 HH2 TRP 32 HH2 TRP 32 -7.259 -8.132 -3.713 247 H GLY 33 HN GLY 33 -3.229 -3.478 3.152 248 1HA GLY 33 1HA GLY 33 -1.187 -5.084 1.882 249 2HA GLY 33 2HA GLY 33 -0.703 -3.432 2.214 250 H SER 34 HN SER 34 0.851 -4.958 3.592 251 HA SER 34 HA SER 34 -0.077 -4.653 6.271 252 1HB SER 34 2HB SER 34 0.641 -7.089 6.817 253 2HB SER 34 3HB SER 34 -0.936 -6.843 6.092 254 HG SER 34 HG SER 34 0.292 -7.191 3.957 255 H ILE 35 HN ILE 35 1.643 -3.725 7.317 256 HA ILE 35 HA ILE 35 4.268 -4.016 6.130 257 HB ILE 35 HB ILE 35 2.848 -2.056 7.716 258 1HG1 ILE 35 2HG1 ILE 35 5.498 -1.502 6.478 259 2HG1 ILE 35 3HG1 ILE 35 4.234 -2.068 5.404 260 1HG2 ILE 35 1HG2 ILE 35 5.704 -2.602 8.564 261 2HG2 ILE 35 2HG2 ILE 35 4.632 -1.306 9.144 262 3HG2 ILE 35 3HG2 ILE 35 4.263 -3.004 9.529 263 1HD1 ILE 35 1HD1 ILE 35 2.705 -0.276 6.342 264 2HD1 ILE 35 2HD1 ILE 35 4.095 0.347 7.264 265 3HD1 ILE 35 3HD1 ILE 35 4.129 0.362 5.484 266 H LYS 36 HN LYS 36 6.175 -4.310 7.714 267 HA LYS 36 HA LYS 36 5.631 -5.782 10.089 268 1HB LYS 36 2HB LYS 36 7.066 -7.773 8.931 269 2HB LYS 36 3HB LYS 36 5.322 -7.777 9.104 270 1HG LYS 36 2HG LYS 36 5.173 -6.636 6.821 271 2HG LYS 36 3HG LYS 36 6.902 -6.870 6.654 272 1HD LYS 36 2HD LYS 36 6.624 -9.040 6.044 273 2HD LYS 36 3HD LYS 36 5.662 -9.377 7.469 274 1HE LYS 36 2HE LYS 36 4.048 -7.785 5.681 275 2HE LYS 36 3HE LYS 36 4.769 -9.076 4.740 276 1HZ LYS 36 1HZ LYS 36 3.802 -9.958 7.263 277 2HZ LYS 36 2HZ LYS 36 2.622 -9.322 6.330 278 3HZ LYS 36 3HZ LYS 36 3.522 -10.565 5.773 279 H GLY 37 HN GLY 37 7.111 -4.857 11.394 280 1HA GLY 37 1HA GLY 37 9.621 -5.108 11.710 281 2HA GLY 37 2HA GLY 37 9.737 -4.186 10.225 282 H LEU 38 HN LEU 38 7.395 -2.461 10.707 283 HA LEU 38 HA LEU 38 8.629 -0.371 12.014 284 1HB LEU 38 2HB LEU 38 5.917 -1.001 11.021 285 2HB LEU 38 3HB LEU 38 6.008 0.262 12.232 286 HG LEU 38 HG LEU 38 8.044 0.712 10.244 287 1HD1 LEU 38 1HD1 LEU 38 6.492 -0.669 8.833 288 2HD1 LEU 38 2HD1 LEU 38 5.253 0.584 9.082 289 3HD1 LEU 38 3HD1 LEU 38 6.773 0.988 8.248 290 1HD2 LEU 38 1HD2 LEU 38 5.645 2.456 10.402 291 2HD2 LEU 38 2HD2 LEU 38 6.577 2.229 11.901 292 3HD2 LEU 38 3HD2 LEU 38 7.376 2.866 10.444 293 H THR 39 HN THR 39 6.874 0.701 13.902 294 HA THR 39 HA THR 39 6.994 -1.304 16.059 295 HB THR 39 HB THR 39 7.492 0.853 17.473 296 HG1 THR 39 1HG THR 39 7.728 2.630 16.171 297 1HG2 THR 39 1HG2 THR 39 9.330 -0.723 17.122 298 2HG2 THR 39 2HG2 THR 39 9.482 -0.234 15.417 299 3HG2 THR 39 3HG2 THR 39 9.936 0.900 16.712 300 H GLU 40 HN GLU 40 5.197 -1.607 17.259 301 HA GLU 40 HA GLU 40 2.786 -0.858 16.346 302 1HB GLU 40 2HB GLU 40 1.898 -1.504 18.552 303 2HB GLU 40 3HB GLU 40 3.165 -2.607 18.054 304 1HG GLU 40 2HG GLU 40 4.538 -0.558 19.432 305 2HG GLU 40 3HG GLU 40 3.078 -0.800 20.371 306 H GLY 41 HN GLY 41 1.433 0.925 16.460 307 1HA GLY 41 1HA GLY 41 0.855 2.787 18.101 308 2HA GLY 41 2HA GLY 41 2.524 3.273 17.874 309 H LEU 42 HN LEU 42 2.090 5.271 16.854 310 HA LEU 42 HA LEU 42 0.502 5.157 14.409 311 1HB LEU 42 2HB LEU 42 1.573 7.492 16.000 312 2HB LEU 42 3HB LEU 42 0.623 7.623 14.533 313 HG LEU 42 HG LEU 42 -1.171 7.742 15.841 314 1HD1 LEU 42 1HD1 LEU 42 -1.330 5.379 15.087 315 2HD1 LEU 42 2HD1 LEU 42 -0.600 4.874 16.630 316 3HD1 LEU 42 3HD1 LEU 42 -2.177 5.699 16.620 317 1HD2 LEU 42 1HD2 LEU 42 0.866 7.407 17.865 318 2HD2 LEU 42 2HD2 LEU 42 -0.640 8.355 17.908 319 3HD2 LEU 42 3HD2 LEU 42 -0.658 6.635 18.365 320 H HIS 43 HN HIS 43 1.341 6.003 12.392 321 HA HIS 43 HA HIS 43 4.147 6.558 12.257 322 1HB HIS 43 2HB HIS 43 3.005 3.960 11.246 323 2HB HIS 43 3HB HIS 43 4.386 4.694 10.454 324 HD1 HIS 43 HD1 HIS 43 6.353 5.439 12.437 325 HD2 HIS 43 HD2 HIS 43 3.810 2.177 13.134 326 HE1 HIS 43 HE1 HIS 43 7.500 4.004 14.207 327 H GLY 44 HN GLY 44 4.766 7.002 9.861 328 1HA GLY 44 1HA GLY 44 2.405 8.169 8.510 329 2HA GLY 44 2HA GLY 44 3.981 8.932 8.578 330 H PHE 45 HN PHE 45 2.270 7.946 6.247 331 HA PHE 45 HA PHE 45 4.450 6.715 4.836 332 1HB PHE 45 2HB PHE 45 1.685 5.390 4.900 333 2HB PHE 45 3HB PHE 45 3.159 4.715 4.234 334 HD1 PHE 45 1HD PHE 45 4.499 3.313 5.532 335 HD2 PHE 45 2HD PHE 45 1.613 5.763 7.449 336 HE1 PHE 45 1HE PHE 45 4.941 2.135 7.704 337 HE2 PHE 45 2HE PHE 45 2.055 4.585 9.621 338 HZ PHE 45 HZ PHE 45 3.714 2.785 9.723 339 H HIS 46 HN HIS 46 4.418 7.270 2.663 340 HA HIS 46 HA HIS 46 2.123 7.769 1.207 341 1HB HIS 46 2HB HIS 46 2.152 10.214 1.015 342 2HB HIS 46 3HB HIS 46 1.733 9.679 2.631 343 HD1 HIS 46 HD1 HIS 46 4.845 10.899 0.746 344 HD2 HIS 46 HD2 HIS 46 3.191 10.895 4.601 345 HE1 HIS 46 HE1 HIS 46 6.405 12.306 2.195 346 H VAL 47 HN VAL 47 2.809 9.232 -0.861 347 HA VAL 47 HA VAL 47 4.879 7.845 -2.073 348 HB VAL 47 HB VAL 47 3.478 10.442 -2.699 349 1HG1 VAL 47 1HG1 VAL 47 5.656 10.590 -3.748 350 2HG1 VAL 47 2HG1 VAL 47 5.497 8.941 -4.400 351 3HG1 VAL 47 3HG1 VAL 47 4.432 10.238 -4.992 352 1HG2 VAL 47 1HG2 VAL 47 2.419 9.035 -4.478 353 2HG2 VAL 47 2HG2 VAL 47 3.240 7.616 -3.783 354 3HG2 VAL 47 3HG2 VAL 47 2.040 8.511 -2.820 355 H HIS 48 HN HIS 48 6.900 8.900 -3.056 356 HA HIS 48 HA HIS 48 7.994 11.136 -1.736 357 1HB HIS 48 2HB HIS 48 8.813 10.202 0.105 358 2HB HIS 48 3HB HIS 48 8.298 8.606 -0.402 359 HD1 HIS 48 HD1 HIS 48 10.053 7.178 -1.835 360 HD2 HIS 48 HD2 HIS 48 11.540 10.715 -0.141 361 HE1 HIS 48 HE1 HIS 48 12.596 7.006 -1.940 362 H GLU 49 HN GLU 49 10.206 11.621 -2.564 363 HA GLU 49 HA GLU 49 11.119 9.923 -4.678 364 1HB GLU 49 2HB GLU 49 9.671 12.486 -5.188 365 2HB GLU 49 3HB GLU 49 11.149 12.257 -6.102 366 1HG GLU 49 2HG GLU 49 10.198 10.674 -7.435 367 2HG GLU 49 3HG GLU 49 9.554 9.795 -6.063 368 H GLU 50 HN GLU 50 13.253 10.770 -5.598 369 HA GLU 50 HA GLU 50 15.170 11.842 -5.444 370 1HB GLU 50 2HB GLU 50 13.575 13.676 -4.119 371 2HB GLU 50 3HB GLU 50 14.750 13.280 -2.881 372 1HG GLU 50 2HG GLU 50 16.576 13.674 -4.659 373 2HG GLU 50 3HG GLU 50 15.318 14.326 -5.689 374 H GLU 51 HN GLU 51 17.040 12.149 -3.531 375 HA GLU 51 HA GLU 51 18.121 11.265 -1.819 376 1HB GLU 51 2HB GLU 51 15.628 10.535 -1.035 377 2HB GLU 51 3HB GLU 51 16.280 8.942 -1.366 378 1HG GLU 51 2HG GLU 51 16.728 9.461 0.968 379 2HG GLU 51 3HG GLU 51 18.256 9.479 0.110 380 H ASP 52 HN ASP 52 16.418 8.727 -3.790 381 HA ASP 52 HA ASP 52 17.168 6.872 -4.681 382 1HB ASP 52 2HB ASP 52 19.545 8.578 -5.542 383 2HB ASP 52 3HB ASP 52 18.882 7.198 -6.394 384 H ASN 53 HN ASN 53 17.729 5.712 -2.669 385 HA ASN 53 HA ASN 53 20.262 4.703 -2.618 386 1HB ASN 53 2HB ASN 53 19.903 7.171 -0.959 387 2HB ASN 53 3HB ASN 53 20.644 5.825 -0.117 388 1HD2 ASN 53 1HD2 ASN 53 22.218 7.839 -0.289 389 2HD2 ASN 53 2HD2 ASN 53 23.435 7.702 -1.514 390 H THR 54 HN THR 54 18.384 3.063 -2.493 391 HA THR 54 HA THR 54 18.009 2.278 0.261 392 HB THR 54 HB THR 54 16.047 3.574 0.248 393 HG1 THR 54 1HG THR 54 15.241 1.244 -1.327 394 1HG2 THR 54 1HG2 THR 54 15.619 2.785 -2.681 395 2HG2 THR 54 2HG2 THR 54 14.599 3.890 -1.728 396 3HG2 THR 54 3HG2 THR 54 16.263 4.357 -2.151 397 H ALA 55 HN ALA 55 17.147 1.702 -3.203 398 HA ALA 55 HA ALA 55 18.439 -0.648 -3.492 399 1HB ALA 55 1HB ALA 55 16.309 -2.213 -3.215 400 2HB ALA 55 2HB ALA 55 17.378 -1.871 -1.834 401 3HB ALA 55 3HB ALA 55 15.844 -0.986 -2.012 402 H GLY 56 HN GLY 56 14.891 -0.566 -4.002 403 1HA GLY 56 1HA GLY 56 15.423 -0.064 -6.867 404 2HA GLY 56 2HA GLY 56 14.139 -1.077 -6.239 405 H CYS 57 HN CYS 57 15.386 2.302 -5.688 406 HA CYS 57 HA CYS 57 12.726 3.278 -6.294 407 1HB CYS 57 2HB CYS 57 13.941 4.450 -3.852 408 2HB CYS 57 3HB CYS 57 12.257 4.269 -4.303 409 H THR 58 HN THR 58 13.202 4.705 -7.933 410 HA THR 58 HA THR 58 15.780 6.070 -7.876 411 HB THR 58 HB THR 58 15.248 6.528 -10.239 412 HG1 THR 58 1HG THR 58 13.043 6.869 -10.359 413 1HG2 THR 58 1HG2 THR 58 15.577 4.365 -10.920 414 2HG2 THR 58 2HG2 THR 58 15.430 3.900 -9.208 415 3HG2 THR 58 3HG2 THR 58 13.999 3.862 -10.267 416 H SER 59 HN SER 59 14.477 8.220 -9.640 417 HA SER 59 HA SER 59 13.167 9.662 -7.478 418 1HB SER 59 2HB SER 59 15.304 10.641 -7.388 419 2HB SER 59 3HB SER 59 15.567 10.484 -9.114 420 HG SER 59 HG SER 59 15.067 12.708 -8.229 421 H ALA 60 HN ALA 60 14.169 10.108 -10.957 422 HA ALA 60 HA ALA 60 12.990 10.552 -12.780 423 1HB ALA 60 1HB ALA 60 10.396 10.041 -11.312 424 2HB ALA 60 2HB ALA 60 10.808 9.713 -13.012 425 3HB ALA 60 3HB ALA 60 11.490 8.697 -11.720 426 H GLY 61 HN GLY 61 10.958 11.684 -9.978 427 1HA GLY 61 1HA GLY 61 11.472 14.446 -10.762 428 2HA GLY 61 2HA GLY 61 9.814 13.892 -10.889 429 HA PRO 62 HA PRO 62 11.224 14.239 -6.350 430 1HB PRO 62 2HB PRO 62 12.701 16.483 -5.849 431 2HB PRO 62 3HB PRO 62 13.411 14.892 -6.042 432 1HG PRO 62 2HG PRO 62 13.398 17.158 -7.941 433 2HG PRO 62 3HG PRO 62 14.436 15.745 -7.924 434 1HD PRO 62 2HD PRO 62 12.201 16.213 -9.661 435 2HD PRO 62 3HD PRO 62 13.166 14.754 -9.564 436 H HIS 63 HN HIS 63 8.897 14.739 -7.367 437 HA HIS 63 HA HIS 63 8.224 17.308 -6.129 438 1HB HIS 63 2HB HIS 63 6.504 17.636 -7.797 439 2HB HIS 63 3HB HIS 63 8.067 17.455 -8.567 440 HD1 HIS 63 HD1 HIS 63 8.548 14.954 -9.606 441 HD2 HIS 63 HD2 HIS 63 4.562 15.930 -8.735 442 HE1 HIS 63 HE1 HIS 63 7.106 13.292 -10.898 443 H PHE 64 HN PHE 64 7.979 16.017 -4.131 444 HA PHE 64 HA PHE 64 6.517 13.818 -3.732 445 1HB PHE 64 2HB PHE 64 6.670 16.500 -2.255 446 2HB PHE 64 3HB PHE 64 5.802 15.151 -1.550 447 HD1 PHE 64 1HD PHE 64 9.026 16.632 -2.123 448 HD2 PHE 64 2HD PHE 64 7.065 13.030 -1.032 449 HE1 PHE 64 1HE PHE 64 11.171 15.756 -1.157 450 HE2 PHE 64 2HE PHE 64 9.210 12.155 -0.066 451 HZ PHE 64 HZ PHE 64 11.237 13.528 -0.141 452 H ASN 65 HN ASN 65 4.824 16.801 -2.708 453 HA ASN 65 HA ASN 65 2.708 16.310 -4.568 454 1HB ASN 65 2HB ASN 65 1.029 16.304 -2.542 455 2HB ASN 65 3HB ASN 65 1.845 14.805 -2.942 456 1HD2 ASN 65 1HD2 ASN 65 1.094 16.963 -0.535 457 2HD2 ASN 65 2HD2 ASN 65 2.230 16.496 0.686 458 HA PRO 66 HA PRO 66 3.231 20.646 -3.425 459 1HB PRO 66 2HB PRO 66 2.854 21.691 -5.922 460 2HB PRO 66 3HB PRO 66 4.430 21.244 -5.298 461 1HG PRO 66 2HG PRO 66 2.755 19.834 -7.284 462 2HG PRO 66 3HG PRO 66 4.468 19.652 -6.966 463 1HD PRO 66 2HD PRO 66 2.373 17.874 -6.144 464 2HD PRO 66 3HD PRO 66 4.071 17.755 -5.729 465 H LEU 67 HN LEU 67 1.368 20.421 -2.080 466 HA LEU 67 HA LEU 67 -0.802 21.891 -3.246 467 1HB LEU 67 2HB LEU 67 -1.328 19.644 -4.013 468 2HB LEU 67 3HB LEU 67 -1.206 19.027 -2.377 469 HG LEU 67 HG LEU 67 -3.534 19.298 -3.124 470 1HD1 LEU 67 1HD1 LEU 67 -2.481 19.913 -0.674 471 2HD1 LEU 67 2HD1 LEU 67 -3.460 21.357 -1.028 472 3HD1 LEU 67 3HD1 LEU 67 -4.215 19.745 -1.039 473 1HD2 LEU 67 1HD2 LEU 67 -2.907 22.262 -3.226 474 2HD2 LEU 67 2HD2 LEU 67 -3.241 21.207 -4.620 475 3HD2 LEU 67 3HD2 LEU 67 -4.514 21.521 -3.417 476 H SER 68 HN SER 68 0.321 19.820 -0.492 477 HA SER 68 HA SER 68 -0.089 22.068 1.231 478 1HB SER 68 2HB SER 68 -2.302 21.165 1.418 479 2HB SER 68 3HB SER 68 -1.716 19.515 1.472 480 HG SER 68 HG SER 68 -0.660 21.108 3.514 481 H ARG 69 HN ARG 69 2.071 20.214 0.117 482 HA ARG 69 HA ARG 69 2.846 18.558 2.245 483 1HB ARG 69 2HB ARG 69 4.979 18.331 0.949 484 2HB ARG 69 3HB ARG 69 3.571 18.111 -0.071 485 1HG ARG 69 2HG ARG 69 4.081 19.930 -1.345 486 2HG ARG 69 3HG ARG 69 4.350 20.941 0.061 487 1HD ARG 69 2HD ARG 69 6.629 19.821 0.338 488 2HD ARG 69 3HD ARG 69 6.352 18.995 -1.182 489 HE ARG 69 HE ARG 69 5.919 21.825 -1.524 490 1HH1 ARG 69 2HH2 ARG 69 8.497 19.467 -1.105 491 2HH1 ARG 69 1HH2 ARG 69 9.681 20.424 -1.931 492 1HH2 ARG 69 2HH1 ARG 69 7.480 23.088 -2.615 493 2HH2 ARG 69 1HH1 ARG 69 9.099 22.498 -2.796 494 H LYS 70 HN LYS 70 2.421 20.640 3.755 495 HA LYS 70 HA LYS 70 4.851 21.328 4.879 496 1HB LYS 70 2HB LYS 70 4.274 22.922 2.581 497 2HB LYS 70 3HB LYS 70 4.081 23.940 3.994 498 1HG LYS 70 2HG LYS 70 6.338 23.123 4.825 499 2HG LYS 70 3HG LYS 70 6.531 22.244 3.321 500 1HD LYS 70 2HD LYS 70 7.138 24.123 2.191 501 2HD LYS 70 3HD LYS 70 5.758 25.019 2.793 502 1HE LYS 70 2HE LYS 70 6.918 25.842 4.659 503 2HE LYS 70 3HE LYS 70 8.018 24.479 4.716 504 1HZ LYS 70 1HZ LYS 70 9.185 26.331 3.897 505 2HZ LYS 70 2HZ LYS 70 8.968 25.339 2.619 506 3HZ LYS 70 3HZ LYS 70 8.050 26.680 2.776 507 H HIS 71 HN HIS 71 4.540 22.944 6.695 508 HA HIS 71 HA HIS 71 2.592 22.315 8.340 509 1HB HIS 71 2HB HIS 71 3.350 23.998 9.615 510 2HB HIS 71 3HB HIS 71 4.543 24.185 8.345 511 HD1 HIS 71 HD1 HIS 71 4.002 26.098 6.496 512 HD2 HIS 71 HD2 HIS 71 1.693 26.178 9.998 513 HE1 HIS 71 HE1 HIS 71 2.927 28.410 6.591 514 H GLY 72 HN GLY 72 0.479 21.941 7.810 515 1HA GLY 72 1HA GLY 72 -1.368 23.963 7.587 516 2HA GLY 72 2HA GLY 72 -0.936 23.567 5.935 517 H GLY 73 HN GLY 73 -3.553 23.136 6.857 518 1HA GLY 73 1HA GLY 73 -4.831 21.235 6.126 519 2HA GLY 73 2HA GLY 73 -3.659 20.182 6.892 520 HA PRO 74 HA PRO 74 -6.762 20.509 10.059 521 1HB PRO 74 2HB PRO 74 -6.367 18.029 11.135 522 2HB PRO 74 3HB PRO 74 -7.497 18.339 9.832 523 1HG PRO 74 2HG PRO 74 -4.838 17.052 9.713 524 2HG PRO 74 3HG PRO 74 -6.140 16.993 8.541 525 1HD PRO 74 2HD PRO 74 -3.741 18.556 8.364 526 2HD PRO 74 3HD PRO 74 -5.095 18.584 7.252 527 H LYS 75 HN LYS 75 -5.323 22.270 10.798 528 HA LYS 75 HA LYS 75 -4.470 23.135 12.682 529 1HB LYS 75 2HB LYS 75 -4.545 22.025 14.635 530 2HB LYS 75 3HB LYS 75 -5.394 20.804 13.709 531 1HG LYS 75 2HG LYS 75 -2.893 19.972 13.166 532 2HG LYS 75 3HG LYS 75 -2.529 20.821 14.655 533 1HD LYS 75 2HD LYS 75 -4.922 19.272 15.097 534 2HD LYS 75 3HD LYS 75 -3.748 18.224 14.327 535 1HE LYS 75 2HE LYS 75 -2.117 18.586 16.059 536 2HE LYS 75 3HE LYS 75 -2.968 19.985 16.683 537 1HZ LYS 75 1HZ LYS 75 -4.603 18.652 17.585 538 2HZ LYS 75 2HZ LYS 75 -4.243 17.355 16.660 539 3HZ LYS 75 3HZ LYS 75 -3.245 17.792 17.877 540 H ASP 76 HN ASP 76 -3.168 22.198 10.121 541 HA ASP 76 HA ASP 76 -1.194 22.417 9.235 542 1HB ASP 76 2HB ASP 76 0.391 22.707 11.745 543 2HB ASP 76 3HB ASP 76 0.438 23.673 10.283 544 H GLU 77 HN GLU 77 -1.270 20.085 8.766 545 HA GLU 77 HA GLU 77 0.378 18.521 10.599 546 1HB GLU 77 2HB GLU 77 -2.119 17.889 10.280 547 2HB GLU 77 3HB GLU 77 -1.666 17.359 8.672 548 1HG GLU 77 2HG GLU 77 0.253 16.037 9.982 549 2HG GLU 77 3HG GLU 77 -0.828 16.227 11.349 550 H GLU 78 HN GLU 78 0.106 19.966 7.497 551 HA GLU 78 HA GLU 78 1.315 19.903 5.695 552 1HB GLU 78 2HB GLU 78 3.318 20.219 6.879 553 2HB GLU 78 3HB GLU 78 3.231 18.655 7.664 554 1HG GLU 78 2HG GLU 78 3.979 17.492 5.731 555 2HG GLU 78 3HG GLU 78 3.537 18.800 4.651 556 H ARG 79 HN ARG 79 1.665 18.625 3.783 557 HA ARG 79 HA ARG 79 1.413 16.942 2.452 558 1HB ARG 79 2HB ARG 79 1.947 15.248 4.942 559 2HB ARG 79 3HB ARG 79 1.823 14.569 3.332 560 1HG ARG 79 2HG ARG 79 3.816 15.582 2.593 561 2HG ARG 79 3HG ARG 79 3.720 16.880 3.766 562 1HD ARG 79 2HD ARG 79 4.129 15.125 5.596 563 2HD ARG 79 3HD ARG 79 4.450 13.967 4.320 564 HE ARG 79 HE ARG 79 6.034 16.318 3.863 565 1HH1 ARG 79 2HH2 ARG 79 5.822 13.562 6.041 566 2HH1 ARG 79 1HH2 ARG 79 7.515 13.560 6.407 567 1HH2 ARG 79 2HH1 ARG 79 8.267 16.315 4.346 568 2HH2 ARG 79 1HH1 ARG 79 8.915 15.136 5.437 569 H HIS 80 HN HIS 80 -0.890 17.704 2.344 570 HA HIS 80 HA HIS 80 -2.730 15.943 3.769 571 1HB HIS 80 2HB HIS 80 -3.003 18.394 4.028 572 2HB HIS 80 3HB HIS 80 -3.258 18.543 2.301 573 HD1 HIS 80 HD1 HIS 80 -5.681 18.927 1.878 574 HD2 HIS 80 HD2 HIS 80 -5.051 16.137 4.946 575 HE1 HIS 80 HE1 HIS 80 -7.994 18.134 2.610 576 H VAL 81 HN VAL 81 -1.048 16.111 0.879 577 HA VAL 81 HA VAL 81 -3.272 15.023 -0.680 578 HB VAL 81 HB VAL 81 -0.679 16.369 -1.303 579 1HG1 VAL 81 1HG1 VAL 81 -1.412 15.573 -3.785 580 2HG1 VAL 81 2HG1 VAL 81 -0.196 14.731 -2.796 581 3HG1 VAL 81 3HG1 VAL 81 -1.871 14.131 -2.848 582 1HG2 VAL 81 1HG2 VAL 81 -2.494 17.847 -1.357 583 2HG2 VAL 81 2HG2 VAL 81 -2.262 17.409 -3.067 584 3HG2 VAL 81 3HG2 VAL 81 -3.569 16.654 -2.124 585 H GLY 82 HN GLY 82 0.277 14.366 -0.815 586 1HA GLY 82 1HA GLY 82 0.110 11.719 -1.488 587 2HA GLY 82 2HA GLY 82 1.441 12.449 -0.612 588 H ASP 83 HN ASP 83 0.309 13.151 1.848 589 HA ASP 83 HA ASP 83 -0.050 10.521 2.941 590 1HB ASP 83 2HB ASP 83 1.502 11.866 4.155 591 2HB ASP 83 3HB ASP 83 0.479 13.286 4.071 592 H LEU 84 HN LEU 84 -2.087 9.748 3.551 593 HA LEU 84 HA LEU 84 -4.320 11.585 3.328 594 1HB LEU 84 2HB LEU 84 -4.115 9.231 2.287 595 2HB LEU 84 3HB LEU 84 -4.472 8.639 3.897 596 HG LEU 84 HG LEU 84 -6.309 10.677 2.696 597 1HD1 LEU 84 1HD1 LEU 84 -5.646 8.426 1.225 598 2HD1 LEU 84 2HD1 LEU 84 -7.131 7.946 2.081 599 3HD1 LEU 84 3HD1 LEU 84 -7.124 9.404 1.060 600 1HD2 LEU 84 1HD2 LEU 84 -7.071 8.226 4.264 601 2HD2 LEU 84 2HD2 LEU 84 -6.412 9.665 5.079 602 3HD2 LEU 84 3HD2 LEU 84 -7.909 9.790 4.123 603 H GLY 85 HN GLY 85 -2.326 9.967 5.736 604 1HA GLY 85 1HA GLY 85 -2.967 11.473 7.871 605 2HA GLY 85 2HA GLY 85 -4.259 10.289 7.867 606 H ASN 86 HN ASN 86 -3.132 9.802 10.045 607 HA ASN 86 HA ASN 86 -0.713 8.277 9.690 608 1HB ASN 86 2HB ASN 86 -2.283 8.822 12.262 609 2HB ASN 86 3HB ASN 86 -0.632 8.245 12.157 610 1HD2 ASN 86 1HD2 ASN 86 0.069 9.988 13.399 611 2HD2 ASN 86 2HD2 ASN 86 0.258 11.584 12.753 612 H VAL 87 HN VAL 87 -0.607 6.022 10.666 613 HA VAL 87 HA VAL 87 -3.250 4.734 10.631 614 HB VAL 87 HB VAL 87 -2.069 2.746 9.746 615 1HG1 VAL 87 1HG1 VAL 87 -3.248 4.508 8.322 616 2HG1 VAL 87 2HG1 VAL 87 -1.625 5.119 7.918 617 3HG1 VAL 87 3HG1 VAL 87 -2.083 3.454 7.486 618 1HG2 VAL 87 1HG2 VAL 87 0.250 4.206 8.723 619 2HG2 VAL 87 2HG2 VAL 87 0.245 4.089 10.500 620 3HG2 VAL 87 3HG2 VAL 87 0.155 2.612 9.510 621 H THR 88 HN THR 88 -2.676 2.271 11.631 622 HA THR 88 HA THR 88 -1.169 2.728 14.103 623 HB THR 88 HB THR 88 -4.103 1.961 13.790 624 HG1 THR 88 1HG THR 88 -2.464 3.721 15.478 625 1HG2 THR 88 1HG2 THR 88 -3.533 0.337 15.408 626 2HG2 THR 88 2HG2 THR 88 -2.139 1.275 15.996 627 3HG2 THR 88 3HG2 THR 88 -3.792 1.766 16.436 628 H ALA 89 HN ALA 89 0.163 1.095 14.617 629 HA ALA 89 HA ALA 89 0.128 -1.203 12.870 630 1HB ALA 89 1HB ALA 89 2.181 -1.671 14.538 631 2HB ALA 89 2HB ALA 89 2.306 -0.529 13.178 632 3HB ALA 89 3HB ALA 89 2.001 0.077 14.824 633 H ASP 90 HN ASP 90 0.690 -3.405 14.100 634 HA ASP 90 HA ASP 90 -1.593 -3.847 15.744 635 1HB ASP 90 2HB ASP 90 -1.050 -5.558 14.133 636 2HB ASP 90 3HB ASP 90 0.628 -5.605 14.635 637 H LYS 91 HN LYS 91 1.335 -5.732 16.375 638 HA LYS 91 HA LYS 91 1.849 -4.227 18.829 639 1HB LYS 91 2HB LYS 91 1.528 -7.240 18.772 640 2HB LYS 91 3HB LYS 91 1.859 -6.237 20.170 641 1HG LYS 91 2HG LYS 91 -0.395 -4.994 19.346 642 2HG LYS 91 3HG LYS 91 -0.707 -6.561 18.627 643 1HD LYS 91 2HD LYS 91 0.043 -6.180 21.562 644 2HD LYS 91 3HD LYS 91 -1.612 -6.266 20.993 645 1HE LYS 91 2HE LYS 91 -1.433 -8.541 20.376 646 2HE LYS 91 3HE LYS 91 0.310 -8.468 20.208 647 1HZ LYS 91 1HZ LYS 91 0.598 -8.709 22.415 648 2HZ LYS 91 2HZ LYS 91 -0.780 -7.940 22.834 649 3HZ LYS 91 3HZ LYS 91 -0.834 -9.484 22.306 650 H ASP 92 HN ASP 92 2.973 -5.099 15.925 651 HA ASP 92 HA ASP 92 5.659 -5.321 16.978 652 1HB ASP 92 2HB ASP 92 4.287 -7.486 15.772 653 2HB ASP 92 3HB ASP 92 5.323 -6.866 14.502 654 H GLY 93 HN GLY 93 3.627 -3.393 15.509 655 1HA GLY 93 1HA GLY 93 4.201 -1.546 14.231 656 2HA GLY 93 2HA GLY 93 5.569 -2.410 13.557 657 H VAL 94 HN VAL 94 3.929 -4.893 13.009 658 HA VAL 94 HA VAL 94 3.368 -4.556 10.398 659 HB VAL 94 HB VAL 94 1.933 -6.315 12.396 660 1HG1 VAL 94 1HG1 VAL 94 0.669 -7.045 10.711 661 2HG1 VAL 94 2HG1 VAL 94 1.484 -5.936 9.582 662 3HG1 VAL 94 3HG1 VAL 94 2.141 -7.567 9.857 663 1HG2 VAL 94 1HG2 VAL 94 3.975 -7.527 10.674 664 2HG2 VAL 94 2HG2 VAL 94 4.624 -6.274 11.759 665 3HG2 VAL 94 3HG2 VAL 94 3.731 -7.658 12.433 666 H ALA 95 HN ALA 95 2.214 -2.943 9.459 667 HA ALA 95 HA ALA 95 -0.399 -2.337 10.666 668 1HB ALA 95 1HB ALA 95 -0.114 -0.084 10.036 669 2HB ALA 95 2HB ALA 95 1.498 -0.561 10.621 670 3HB ALA 95 3HB ALA 95 1.175 -0.476 8.873 671 H ASP 96 HN ASP 96 -2.151 -2.893 9.470 672 HA ASP 96 HA ASP 96 -1.623 -3.496 6.671 673 1HB ASP 96 2HB ASP 96 -2.447 -5.472 7.675 674 2HB ASP 96 3HB ASP 96 -3.535 -4.599 8.736 675 H VAL 97 HN VAL 97 -3.289 -2.779 5.091 676 HA VAL 97 HA VAL 97 -5.144 -0.775 6.158 677 HB VAL 97 HB VAL 97 -3.371 -0.487 3.723 678 1HG1 VAL 97 1HG1 VAL 97 -5.426 1.401 4.923 679 2HG1 VAL 97 2HG1 VAL 97 -4.298 1.810 3.609 680 3HG1 VAL 97 3HG1 VAL 97 -5.539 0.558 3.360 681 1HG2 VAL 97 1HG2 VAL 97 -2.628 1.579 5.197 682 2HG2 VAL 97 2HG2 VAL 97 -3.183 0.543 6.534 683 3HG2 VAL 97 3HG2 VAL 97 -1.903 -0.029 5.438 684 H SER 98 HN SER 98 -6.978 -0.330 4.632 685 HA SER 98 HA SER 98 -7.358 -2.124 2.490 686 1HB SER 98 2HB SER 98 -7.830 -3.515 4.637 687 2HB SER 98 3HB SER 98 -9.263 -2.525 4.824 688 HG SER 98 HG SER 98 -10.060 -4.153 3.608 689 H ILE 99 HN ILE 99 -7.972 -0.369 1.207 690 HA ILE 99 HA ILE 99 -10.420 0.993 2.067 691 HB ILE 99 HB ILE 99 -8.035 2.319 0.772 692 1HG1 ILE 99 2HG1 ILE 99 -8.993 3.027 3.514 693 2HG1 ILE 99 3HG1 ILE 99 -8.044 1.565 3.332 694 1HG2 ILE 99 1HG2 ILE 99 -10.352 3.795 1.961 695 2HG2 ILE 99 2HG2 ILE 99 -9.227 4.275 0.668 696 3HG2 ILE 99 3HG2 ILE 99 -10.512 3.090 0.334 697 1HD1 ILE 99 1HD1 ILE 99 -6.736 3.738 3.793 698 2HD1 ILE 99 2HD1 ILE 99 -6.170 2.752 2.423 699 3HD1 ILE 99 3HD1 ILE 99 -7.145 4.211 2.126 700 H GLU 100 HN GLU 100 -11.887 1.512 0.378 701 HA GLU 100 HA GLU 100 -11.102 0.451 -2.217 702 1HB GLU 100 2HB GLU 100 -12.474 -1.269 -1.146 703 2HB GLU 100 3HB GLU 100 -13.705 -0.095 -0.728 704 1HG GLU 100 2HG GLU 100 -14.046 0.360 -3.197 705 2HG GLU 100 3HG GLU 100 -12.897 -0.913 -3.558 706 H ASP 101 HN ASP 101 -10.859 2.453 -3.233 707 HA ASP 101 HA ASP 101 -13.166 4.219 -3.033 708 1HB ASP 101 2HB ASP 101 -10.334 4.679 -2.895 709 2HB ASP 101 3HB ASP 101 -10.890 5.415 -4.385 710 H SER 102 HN SER 102 -13.636 5.448 -5.176 711 HA SER 102 HA SER 102 -12.842 3.838 -7.466 712 1HB SER 102 2HB SER 102 -15.159 4.069 -8.376 713 2HB SER 102 3HB SER 102 -15.107 3.134 -6.895 714 HG SER 102 HG SER 102 -16.396 4.561 -5.967 715 H VAL 103 HN VAL 103 -12.343 6.652 -6.043 716 HA VAL 103 HA VAL 103 -13.158 8.451 -8.147 717 HB VAL 103 HB VAL 103 -11.473 8.889 -5.674 718 1HG1 VAL 103 1HG1 VAL 103 -12.977 10.959 -7.297 719 2HG1 VAL 103 2HG1 VAL 103 -11.794 11.225 -5.995 720 3HG1 VAL 103 3HG1 VAL 103 -11.260 10.573 -7.563 721 1HG2 VAL 103 1HG2 VAL 103 -13.334 8.922 -4.441 722 2HG2 VAL 103 2HG2 VAL 103 -14.142 10.019 -5.586 723 3HG2 VAL 103 3HG2 VAL 103 -14.207 8.259 -5.844 724 H ILE 104 HN ILE 104 -10.244 6.732 -6.981 725 HA ILE 104 HA ILE 104 -8.615 8.095 -8.956 726 HB ILE 104 HB ILE 104 -6.780 7.236 -7.860 727 1HG1 ILE 104 2HG1 ILE 104 -7.418 4.865 -7.984 728 2HG1 ILE 104 3HG1 ILE 104 -6.736 5.287 -6.426 729 1HG2 ILE 104 1HG2 ILE 104 -8.949 7.589 -5.776 730 2HG2 ILE 104 2HG2 ILE 104 -7.205 7.540 -5.424 731 3HG2 ILE 104 3HG2 ILE 104 -7.872 8.838 -6.443 732 1HD1 ILE 104 1HD1 ILE 104 -9.675 4.866 -7.108 733 2HD1 ILE 104 2HD1 ILE 104 -8.673 3.935 -5.969 734 3HD1 ILE 104 3HD1 ILE 104 -9.140 5.608 -5.580 735 H SER 105 HN SER 105 -6.977 6.388 -10.094 736 HA SER 105 HA SER 105 -8.163 3.945 -10.805 737 1HB SER 105 2HB SER 105 -9.523 5.746 -12.112 738 2HB SER 105 3HB SER 105 -8.078 5.955 -13.081 739 HG SER 105 HG SER 105 -9.662 3.559 -12.761 740 H LEU 106 HN LEU 106 -6.602 2.596 -11.806 741 HA LEU 106 HA LEU 106 -3.933 3.562 -11.699 742 1HB LEU 106 2HB LEU 106 -4.956 0.953 -12.821 743 2HB LEU 106 3HB LEU 106 -3.321 1.317 -12.304 744 HG LEU 106 HG LEU 106 -4.801 1.851 -10.028 745 1HD1 LEU 106 1HD1 LEU 106 -6.816 0.913 -10.318 746 2HD1 LEU 106 2HD1 LEU 106 -6.277 -0.070 -11.701 747 3HD1 LEU 106 3HD1 LEU 106 -5.958 -0.622 -10.039 748 1HD2 LEU 106 1HD2 LEU 106 -2.729 0.776 -9.850 749 2HD2 LEU 106 2HD2 LEU 106 -3.908 -0.437 -9.297 750 3HD2 LEU 106 3HD2 LEU 106 -3.217 -0.550 -10.933 751 H SER 107 HN SER 107 -6.433 3.291 -14.170 752 HA SER 107 HA SER 107 -4.498 4.389 -16.038 753 1HB SER 107 2HB SER 107 -5.657 1.793 -16.239 754 2HB SER 107 3HB SER 107 -6.478 2.775 -17.435 755 HG SER 107 HG SER 107 -4.683 2.069 -18.516 756 H GLY 108 HN GLY 108 -5.300 6.143 -17.219 757 1HA GLY 108 1HA GLY 108 -7.550 6.833 -18.278 758 2HA GLY 108 2HA GLY 108 -8.069 6.926 -16.607 759 H ASP 109 HN ASP 109 -7.018 8.472 -15.136 760 HA ASP 109 HA ASP 109 -5.324 10.402 -16.454 761 1HB ASP 109 2HB ASP 109 -8.118 10.833 -15.953 762 2HB ASP 109 3HB ASP 109 -7.245 11.807 -14.786 763 H HIS 110 HN HIS 110 -7.154 9.384 -13.487 764 HA HIS 110 HA HIS 110 -5.190 10.625 -11.785 765 1HB HIS 110 2HB HIS 110 -7.748 9.097 -11.281 766 2HB HIS 110 3HB HIS 110 -6.675 9.572 -9.981 767 HD1 HIS 110 HD1 HIS 110 -6.012 12.420 -11.546 768 HD2 HIS 110 HD2 HIS 110 -9.728 10.901 -10.330 769 HE1 HIS 110 HE1 HIS 110 -7.567 14.430 -11.322 770 H SER 111 HN SER 111 -3.724 8.973 -13.274 771 HA SER 111 HA SER 111 -3.666 6.324 -12.641 772 1HB SER 111 2HB SER 111 -1.743 6.299 -13.884 773 2HB SER 111 3HB SER 111 -2.210 7.946 -14.261 774 HG SER 111 HG SER 111 -0.800 8.724 -12.618 775 H ILE 112 HN ILE 112 -3.425 5.311 -10.686 776 HA ILE 112 HA ILE 112 -2.263 6.798 -8.498 777 HB ILE 112 HB ILE 112 -2.984 4.822 -7.177 778 1HG1 ILE 112 2HG1 ILE 112 -4.405 3.850 -9.655 779 2HG1 ILE 112 3HG1 ILE 112 -2.807 3.267 -9.232 780 1HG2 ILE 112 1HG2 ILE 112 -5.521 5.377 -8.389 781 2HG2 ILE 112 2HG2 ILE 112 -4.840 5.991 -6.863 782 3HG2 ILE 112 3HG2 ILE 112 -4.535 6.859 -8.387 783 1HD1 ILE 112 1HD1 ILE 112 -3.893 2.875 -6.836 784 2HD1 ILE 112 2HD1 ILE 112 -5.416 2.899 -7.757 785 3HD1 ILE 112 3HD1 ILE 112 -4.160 1.698 -8.145 786 H ILE 113 HN ILE 113 -1.380 4.343 -10.854 787 HA ILE 113 HA ILE 113 0.655 3.086 -9.418 788 HB ILE 113 HB ILE 113 0.526 3.556 -12.395 789 1HG1 ILE 113 2HG1 ILE 113 -1.083 1.762 -10.612 790 2HG1 ILE 113 3HG1 ILE 113 -1.591 2.707 -11.998 791 1HG2 ILE 113 1HG2 ILE 113 1.550 1.057 -11.115 792 2HG2 ILE 113 2HG2 ILE 113 1.999 1.826 -12.656 793 3HG2 ILE 113 3HG2 ILE 113 2.585 2.505 -11.118 794 1HD1 ILE 113 1HD1 ILE 113 0.019 1.121 -13.363 795 2HD1 ILE 113 2HD1 ILE 113 -0.132 0.056 -11.945 796 3HD1 ILE 113 3HD1 ILE 113 -1.582 0.522 -12.867 797 H GLY 114 HN GLY 114 2.667 3.707 -8.799 798 1HA GLY 114 1HA GLY 114 4.709 4.845 -9.477 799 2HA GLY 114 2HA GLY 114 3.724 6.196 -10.003 800 H ARG 115 HN ARG 115 2.262 4.866 -7.242 801 HA ARG 115 HA ARG 115 3.196 7.079 -5.703 802 1HB ARG 115 2HB ARG 115 1.080 4.930 -5.325 803 2HB ARG 115 3HB ARG 115 1.543 5.942 -3.971 804 1HG ARG 115 2HG ARG 115 1.098 7.974 -5.500 805 2HG ARG 115 3HG ARG 115 0.378 6.853 -6.638 806 1HD ARG 115 2HD ARG 115 -1.476 6.443 -5.290 807 2HD ARG 115 3HD ARG 115 -0.578 6.647 -3.799 808 HE ARG 115 HE ARG 115 -0.882 9.114 -5.378 809 1HH1 ARG 115 2HH2 ARG 115 -2.226 7.092 -2.831 810 2HH1 ARG 115 1HH2 ARG 115 -3.142 8.377 -2.118 811 1HH2 ARG 115 2HH1 ARG 115 -2.090 10.811 -4.437 812 2HH2 ARG 115 1HH1 ARG 115 -3.064 10.507 -3.037 813 H THR 116 HN THR 116 4.989 6.940 -4.391 814 HA THR 116 HA THR 116 5.936 4.284 -3.643 815 HB THR 116 HB THR 116 7.273 6.992 -3.189 816 HG1 THR 116 1HG THR 116 6.623 6.743 -5.443 817 1HG2 THR 116 1HG2 THR 116 8.935 5.599 -2.446 818 2HG2 THR 116 2HG2 THR 116 8.051 4.153 -2.990 819 3HG2 THR 116 3HG2 THR 116 9.084 5.046 -4.131 820 H LEU 117 HN LEU 117 4.017 3.977 -2.204 821 HA LEU 117 HA LEU 117 3.684 5.603 0.054 822 1HB LEU 117 2HB LEU 117 2.003 4.065 -0.901 823 2HB LEU 117 3HB LEU 117 2.957 2.699 -0.357 824 HG LEU 117 HG LEU 117 1.021 3.210 1.101 825 1HD1 LEU 117 1HD1 LEU 117 2.127 2.821 3.150 826 2HD1 LEU 117 2HD1 LEU 117 3.161 2.099 1.894 827 3HD1 LEU 117 3HD1 LEU 117 3.597 3.668 2.613 828 1HD2 LEU 117 1HD2 LEU 117 2.511 5.711 1.928 829 2HD2 LEU 117 2HD2 LEU 117 1.153 5.703 0.777 830 3HD2 LEU 117 3HD2 LEU 117 0.901 5.163 2.455 831 H VAL 118 HN VAL 118 5.964 5.979 0.660 832 HA VAL 118 HA VAL 118 7.419 3.728 1.694 833 HB VAL 118 HB VAL 118 9.133 5.335 2.163 834 1HG1 VAL 118 1HG1 VAL 118 8.428 6.617 -0.338 835 2HG1 VAL 118 2HG1 VAL 118 9.690 5.409 0.002 836 3HG1 VAL 118 3HG1 VAL 118 8.035 4.881 -0.388 837 1HG2 VAL 118 1HG2 VAL 118 8.262 7.240 3.088 838 2HG2 VAL 118 2HG2 VAL 118 8.508 7.819 1.423 839 3HG2 VAL 118 3HG2 VAL 118 6.890 7.301 1.955 840 H VAL 119 HN VAL 119 8.427 4.089 4.026 841 HA VAL 119 HA VAL 119 6.186 4.826 5.781 842 HB VAL 119 HB VAL 119 6.723 3.036 7.197 843 1HG1 VAL 119 1HG1 VAL 119 7.239 1.314 4.939 844 2HG1 VAL 119 2HG1 VAL 119 5.739 1.536 5.871 845 3HG1 VAL 119 3HG1 VAL 119 6.087 2.591 4.480 846 1HG2 VAL 119 1HG2 VAL 119 8.686 1.621 7.005 847 2HG2 VAL 119 2HG2 VAL 119 9.215 2.496 5.548 848 3HG2 VAL 119 3HG2 VAL 119 9.190 3.324 7.123 849 H HIS 120 HN HIS 120 6.638 6.121 7.571 850 HA HIS 120 HA HIS 120 9.351 7.212 7.564 851 1HB HIS 120 2HB HIS 120 6.704 8.381 8.452 852 2HB HIS 120 3HB HIS 120 8.248 9.132 8.798 853 HD1 HIS 120 HD1 HIS 120 9.357 10.488 6.941 854 HD2 HIS 120 HD2 HIS 120 6.026 8.303 5.627 855 HE1 HIS 120 HE1 HIS 120 8.863 11.294 4.571 856 H GLU 121 HN GLU 121 10.518 7.431 9.538 857 HA GLU 121 HA GLU 121 10.515 5.395 11.217 858 1HB GLU 121 2HB GLU 121 11.110 8.304 11.911 859 2HB GLU 121 3HB GLU 121 11.593 6.946 12.907 860 1HG GLU 121 2HG GLU 121 12.863 5.996 10.944 861 2HG GLU 121 3HG GLU 121 12.426 7.408 10.003 862 H LYS 122 HN LYS 122 8.656 8.468 11.763 863 HA LYS 122 HA LYS 122 6.933 6.922 13.567 864 1HB LYS 122 2HB LYS 122 7.819 9.792 13.989 865 2HB LYS 122 3HB LYS 122 6.733 8.877 15.015 866 1HG LYS 122 2HG LYS 122 8.544 7.233 15.493 867 2HG LYS 122 3HG LYS 122 9.633 8.107 14.435 868 1HD LYS 122 2HD LYS 122 9.329 10.157 15.901 869 2HD LYS 122 3HD LYS 122 8.363 9.186 16.995 870 1HE LYS 122 2HE LYS 122 10.505 7.560 16.898 871 2HE LYS 122 3HE LYS 122 11.326 9.039 16.438 872 1HZ LYS 122 1HZ LYS 122 11.027 9.904 18.463 873 2HZ LYS 122 2HZ LYS 122 9.543 9.259 18.683 874 3HZ LYS 122 3HZ LYS 122 10.875 8.348 18.934 875 H ALA 123 HN ALA 123 4.999 8.917 14.006 876 HA ALA 123 HA ALA 123 3.816 8.989 11.346 877 1HB ALA 123 1HB ALA 123 2.038 9.968 13.338 878 2HB ALA 123 2HB ALA 123 2.004 8.385 12.526 879 3HB ALA 123 3HB ALA 123 2.896 8.583 14.053 880 H ASP 124 HN ASP 124 2.207 11.101 11.242 881 HA ASP 124 HA ASP 124 4.006 13.214 10.902 882 1HB ASP 124 2HB ASP 124 0.982 12.942 10.775 883 2HB ASP 124 3HB ASP 124 1.736 14.512 10.576 884 H ASP 125 HN ASP 125 2.481 11.936 13.658 885 HA ASP 125 HA ASP 125 2.235 12.601 15.707 886 1HB ASP 125 2HB ASP 125 4.221 14.508 14.643 887 2HB ASP 125 3HB ASP 125 3.291 15.199 15.958 888 H LEU 126 HN LEU 126 0.372 13.446 13.446 889 HA LEU 126 HA LEU 126 -1.420 14.688 13.095 890 1HB LEU 126 2HB LEU 126 -1.231 14.734 16.088 891 2HB LEU 126 3HB LEU 126 -2.487 15.643 15.271 892 HG LEU 126 HG LEU 126 -2.092 12.708 14.709 893 1HD1 LEU 126 1HD1 LEU 126 -2.667 12.159 16.780 894 2HD1 LEU 126 2HD1 LEU 126 -2.890 13.867 17.229 895 3HD1 LEU 126 3HD1 LEU 126 -4.237 12.953 16.509 896 1HD2 LEU 126 1HD2 LEU 126 -3.521 13.693 13.128 897 2HD2 LEU 126 2HD2 LEU 126 -4.606 12.921 14.309 898 3HD2 LEU 126 3HD2 LEU 126 -4.348 14.681 14.355 899 H GLY 127 HN GLY 127 1.426 15.910 13.263 900 1HA GLY 127 1HA GLY 127 2.073 17.963 12.442 901 2HA GLY 127 2HA GLY 127 0.517 18.649 12.865 902 H LYS 128 HN LYS 128 0.929 17.132 15.635 903 HA LYS 128 HA LYS 128 1.420 17.859 17.673 904 1HB LYS 128 2HB LYS 128 3.750 17.165 16.336 905 2HB LYS 128 3HB LYS 128 4.159 18.705 17.065 906 1HG LYS 128 2HG LYS 128 2.789 17.444 19.132 907 2HG LYS 128 3HG LYS 128 3.594 16.092 18.361 908 1HD LYS 128 2HD LYS 128 5.767 17.439 18.461 909 2HD LYS 128 3HD LYS 128 4.914 18.633 19.420 910 1HE LYS 128 2HE LYS 128 4.251 16.584 20.950 911 2HE LYS 128 3HE LYS 128 5.568 15.757 20.142 912 1HZ LYS 128 1HZ LYS 128 6.975 16.849 21.409 913 2HZ LYS 128 2HZ LYS 128 6.418 18.300 20.908 914 3HZ LYS 128 3HZ LYS 128 5.744 17.570 22.204 915 H GLY 129 HN GLY 129 0.194 19.825 15.859 916 1HA GLY 129 1HA GLY 129 -0.456 21.978 16.079 917 2HA GLY 129 2HA GLY 129 0.596 22.147 17.470 918 H GLY 130 HN GLY 130 1.762 20.982 14.295 919 1HA GLY 130 1HA GLY 130 3.247 21.833 12.841 920 2HA GLY 130 2HA GLY 130 2.538 23.403 13.160 921 H ASN 131 HN ASN 131 5.406 21.690 13.239 922 HA ASN 131 HA ASN 131 6.506 23.629 15.087 923 1HB ASN 131 2HB ASN 131 6.120 21.199 16.099 924 2HB ASN 131 3HB ASN 131 7.510 20.757 15.127 925 1HD2 ASN 131 1HD2 ASN 131 6.452 21.969 18.044 926 2HD2 ASN 131 2HD2 ASN 131 7.927 22.622 18.672 927 H GLU 132 HN GLU 132 8.899 23.936 14.688 928 HA GLU 132 HA GLU 132 9.607 24.314 12.188 929 1HB GLU 132 2HB GLU 132 11.356 23.387 14.499 930 2HB GLU 132 3HB GLU 132 12.035 23.912 12.972 931 1HG GLU 132 2HG GLU 132 11.040 26.130 13.201 932 2HG GLU 132 3HG GLU 132 10.091 25.624 14.585 933 H GLN 133 HN GLN 133 9.475 21.166 13.819 934 HA GLN 133 HA GLN 133 10.876 19.890 11.665 935 1HB GLN 133 2HB GLN 133 10.398 19.301 14.390 936 2HB GLN 133 3HB GLN 133 9.499 18.082 13.508 937 1HG GLN 133 2HG GLN 133 11.397 17.068 12.709 938 2HG GLN 133 3HG GLN 133 12.201 18.592 12.390 939 1HE2 GLN 133 1HE2 GLN 133 13.791 16.796 13.333 940 2HE2 GLN 133 2HE2 GLN 133 14.177 16.995 15.010 941 H SER 134 HN SER 134 7.542 19.922 13.095 942 HA SER 134 HA SER 134 6.497 18.198 11.163 943 1HB SER 134 2HB SER 134 5.583 19.592 13.499 944 2HB SER 134 3HB SER 134 4.467 19.978 12.204 945 HG SER 134 HG SER 134 4.225 17.882 13.607 946 H THR 135 HN THR 135 6.311 21.807 11.594 947 HA THR 135 HA THR 135 4.818 22.450 9.404 948 HB THR 135 HB THR 135 6.057 24.641 9.565 949 HG1 THR 135 1HG THR 135 8.135 24.380 10.271 950 1HG2 THR 135 1HG2 THR 135 4.804 24.993 11.444 951 2HG2 THR 135 2HG2 THR 135 4.793 23.249 11.801 952 3HG2 THR 135 3HG2 THR 135 6.124 24.271 12.396 953 H LYS 136 HN LYS 136 8.027 21.051 9.460 954 HA LYS 136 HA LYS 136 8.350 21.720 6.630 955 1HB LYS 136 2HB LYS 136 10.339 22.294 7.608 956 2HB LYS 136 3HB LYS 136 10.213 21.084 8.870 957 1HG LYS 136 2HG LYS 136 11.180 19.429 7.581 958 2HG LYS 136 3HG LYS 136 10.430 19.990 6.100 959 1HD LYS 136 2HD LYS 136 12.189 21.374 5.572 960 2HD LYS 136 3HD LYS 136 12.419 21.889 7.231 961 1HE LYS 136 2HE LYS 136 13.608 19.807 7.777 962 2HE LYS 136 3HE LYS 136 13.240 19.133 6.202 963 1HZ LYS 136 1HZ LYS 136 14.433 21.525 5.691 964 2HZ LYS 136 2HZ LYS 136 15.305 20.902 6.922 965 3HZ LYS 136 3HZ LYS 136 15.116 20.049 5.543 966 H THR 137 HN THR 137 7.928 19.050 8.971 967 HA THR 137 HA THR 137 7.361 17.302 6.686 968 HB THR 137 HB THR 137 8.675 15.502 7.798 969 HG1 THR 137 1HG THR 137 9.562 15.991 9.834 970 1HG2 THR 137 1HG2 THR 137 10.601 16.253 6.825 971 2HG2 THR 137 2HG2 THR 137 9.835 17.849 6.640 972 3HG2 THR 137 3HG2 THR 137 10.791 17.485 8.096 973 H GLY 138 HN GLY 138 7.555 16.159 10.016 974 1HA GLY 138 1HA GLY 138 4.951 16.761 10.852 975 2HA GLY 138 2HA GLY 138 4.901 15.235 9.992 976 H ASN 139 HN ASN 139 7.701 16.491 11.877 977 HA ASN 139 HA ASN 139 8.886 15.501 13.426 978 1HB ASN 139 2HB ASN 139 6.764 16.565 14.609 979 2HB ASN 139 3HB ASN 139 6.286 14.903 14.894 980 1HD2 ASN 139 1HD2 ASN 139 6.749 16.583 16.974 981 2HD2 ASN 139 2HD2 ASN 139 8.180 16.135 17.841 982 H ALA 140 HN ALA 140 7.879 13.672 11.293 983 HA ALA 140 HA ALA 140 7.217 11.224 12.702 984 1HB ALA 140 1HB ALA 140 6.801 12.348 10.078 985 2HB ALA 140 2HB ALA 140 7.648 10.790 9.920 986 3HB ALA 140 3HB ALA 140 6.096 10.876 10.788 987 H GLY 141 HN GLY 141 9.704 12.308 10.272 988 1HA GLY 141 1HA GLY 141 12.003 11.758 11.466 989 2HA GLY 141 2HA GLY 141 11.448 10.131 11.124 990 H SER 142 HN SER 142 11.114 9.445 8.888 991 HA SER 142 HA SER 142 11.529 11.139 6.744 992 1HB SER 142 2HB SER 142 13.902 11.030 7.831 993 2HB SER 142 3HB SER 142 13.968 9.392 7.214 994 HG SER 142 HG SER 142 14.792 10.483 5.515 995 H ARG 143 HN ARG 143 11.234 9.986 4.725 996 HA ARG 143 HA ARG 143 9.733 7.725 4.925 997 1HB ARG 143 2HB ARG 143 10.394 7.494 2.375 998 2HB ARG 143 3HB ARG 143 9.490 8.902 2.897 999 1HG ARG 143 2HG ARG 143 12.405 9.276 3.186 1000 2HG ARG 143 3HG ARG 143 11.942 8.926 1.533 1001 1HD ARG 143 2HD ARG 143 10.345 10.790 1.514 1002 2HD ARG 143 3HD ARG 143 10.573 11.066 3.230 1003 HE ARG 143 HE ARG 143 13.099 11.212 1.806 1004 1HH1 ARG 143 2HH2 ARG 143 10.173 13.031 2.524 1005 2HH1 ARG 143 1HH2 ARG 143 10.929 14.576 2.318 1006 1HH2 ARG 143 2HH1 ARG 143 14.097 13.250 1.534 1007 2HH2 ARG 143 1HH1 ARG 143 13.177 14.701 1.751 1008 H LEU 144 HN LEU 144 10.284 5.541 3.726 1009 HA LEU 144 HA LEU 144 13.081 4.819 3.946 1010 1HB LEU 144 2HB LEU 144 10.918 3.522 5.607 1011 2HB LEU 144 3HB LEU 144 12.503 2.826 5.336 1012 HG LEU 144 HG LEU 144 12.110 5.551 6.589 1013 1HD1 LEU 144 1HD1 LEU 144 11.581 4.679 8.565 1014 2HD1 LEU 144 2HD1 LEU 144 11.278 3.143 7.717 1015 3HD1 LEU 144 3HD1 LEU 144 12.869 3.455 8.451 1016 1HD2 LEU 144 1HD2 LEU 144 14.407 4.024 5.750 1017 2HD2 LEU 144 2HD2 LEU 144 14.316 5.681 6.396 1018 3HD2 LEU 144 3HD2 LEU 144 14.455 4.298 7.509 1019 H ALA 145 HN ALA 145 10.803 2.219 4.117 1020 HA ALA 145 HA ALA 145 11.503 1.026 1.806 1021 1HB ALA 145 1HB ALA 145 9.082 0.063 1.936 1022 2HB ALA 145 2HB ALA 145 10.180 -0.202 3.311 1023 3HB ALA 145 3HB ALA 145 8.933 1.065 3.399 1024 H CYS 146 HN CYS 146 10.205 0.708 -0.263 1025 HA CYS 146 HA CYS 146 8.823 3.160 -1.025 1026 1HB CYS 146 2HB CYS 146 10.066 2.766 -3.318 1027 2HB CYS 146 3HB CYS 146 10.745 3.763 -2.047 1028 H GLY 147 HN GLY 147 7.055 1.479 -0.492 1029 1HA GLY 147 1HA GLY 147 6.793 -0.816 -2.171 1030 2HA GLY 147 2HA GLY 147 5.595 -0.140 -1.086 1031 H VAL 148 HN VAL 148 7.302 0.808 -4.161 1032 HA VAL 148 HA VAL 148 5.188 2.437 -5.041 1033 HB VAL 148 HB VAL 148 7.641 1.215 -6.249 1034 1HG1 VAL 148 1HG1 VAL 148 7.171 2.293 -8.395 1035 2HG1 VAL 148 2HG1 VAL 148 5.927 1.079 -8.014 1036 3HG1 VAL 148 3HG1 VAL 148 5.575 2.810 -7.802 1037 1HG2 VAL 148 1HG2 VAL 148 8.388 3.483 -6.420 1038 2HG2 VAL 148 2HG2 VAL 148 6.763 4.111 -6.052 1039 3HG2 VAL 148 3HG2 VAL 148 7.700 3.273 -4.792 1040 H ILE 149 HN ILE 149 3.351 2.006 -6.213 1041 HA ILE 149 HA ILE 149 2.416 -0.638 -6.258 1042 HB ILE 149 HB ILE 149 1.486 2.010 -7.260 1043 1HG1 ILE 149 2HG1 ILE 149 -0.572 0.871 -5.908 1044 2HG1 ILE 149 3HG1 ILE 149 0.777 0.047 -5.149 1045 1HG2 ILE 149 1HG2 ILE 149 0.349 -0.654 -8.126 1046 2HG2 ILE 149 2HG2 ILE 149 -0.582 0.863 -8.149 1047 3HG2 ILE 149 3HG2 ILE 149 0.886 0.703 -9.144 1048 1HD1 ILE 149 1HD1 ILE 149 1.662 2.702 -5.298 1049 2HD1 ILE 149 2HD1 ILE 149 -0.068 2.853 -4.907 1050 3HD1 ILE 149 3HD1 ILE 149 1.003 1.899 -3.853 1051 H GLY 150 HN GLY 150 2.825 -2.274 -7.641 1052 1HA GLY 150 1HA GLY 150 3.656 -1.570 -10.384 1053 2HA GLY 150 2HA GLY 150 4.587 -2.701 -9.422 1054 H ILE 151 HN ILE 151 2.161 -2.454 -11.740 1055 HA ILE 151 HA ILE 151 0.214 -4.223 -11.049 1056 HB ILE 151 HB ILE 151 1.564 -3.776 -13.710 1057 1HG1 ILE 151 2HG1 ILE 151 0.455 -1.832 -12.468 1058 2HG1 ILE 151 3HG1 ILE 151 -0.033 -2.124 -14.126 1059 1HG2 ILE 151 1HG2 ILE 151 0.480 -5.830 -14.002 1060 2HG2 ILE 151 2HG2 ILE 151 -0.903 -5.352 -12.989 1061 3HG2 ILE 151 3HG2 ILE 151 -0.686 -4.624 -14.598 1062 1HD1 ILE 151 1HD1 ILE 151 -1.884 -1.738 -12.302 1063 2HD1 ILE 151 2HD1 ILE 151 -2.122 -3.029 -13.503 1064 3HD1 ILE 151 3HD1 ILE 151 -1.564 -3.433 -11.862 1065 H ALA 152 HN ALA 152 -0.115 -6.517 -11.393 1066 HA ALA 152 HA ALA 152 2.312 -8.075 -11.789 1067 1HB ALA 152 1HB ALA 152 2.545 -8.311 -9.548 1068 2HB ALA 152 2HB ALA 152 0.917 -7.670 -9.220 1069 3HB ALA 152 3HB ALA 152 1.127 -9.382 -9.660 1070 H GLN 153 HN GLN 153 1.820 -10.360 -12.282 1071 HA GLN 153 HA GLN 153 -0.734 -10.490 -13.618 1072 1HB GLN 153 2HB GLN 153 0.206 -12.377 -14.838 1073 2HB GLN 153 3HB GLN 153 1.373 -11.070 -14.839 1074 1HG GLN 153 2HG GLN 153 2.145 -12.367 -12.555 1075 2HG GLN 153 3HG GLN 153 1.491 -13.723 -13.453 1076 1HE2 GLN 153 1HE2 GLN 153 2.750 -14.707 -14.840 1077 2HE2 GLN 153 2HE2 GLN 153 4.208 -14.097 -15.547 Start of MODEL 13 1 1H ALA 1 HN ALA 1 -9.913 -5.069 -12.167 2 HA ALA 1 HA ALA 1 -8.821 -7.058 -11.601 3 1HB ALA 1 1HB ALA 1 -8.228 -7.179 -14.511 4 2HB ALA 1 2HB ALA 1 -9.272 -8.217 -13.511 5 3HB ALA 1 3HB ALA 1 -9.871 -6.642 -14.086 6 H THR 2 HN THR 2 -6.891 -4.448 -12.480 7 HA THR 2 HA THR 2 -4.473 -5.969 -12.951 8 HB THR 2 HB THR 2 -4.227 -3.079 -12.413 9 HG1 THR 2 1HG THR 2 -6.070 -4.190 -14.413 10 1HG2 THR 2 1HG2 THR 2 -2.862 -4.793 -13.985 11 2HG2 THR 2 2HG2 THR 2 -4.108 -4.320 -15.166 12 3HG2 THR 2 3HG2 THR 2 -3.050 -3.083 -14.444 13 H LYS 3 HN LYS 3 -3.918 -7.185 -11.190 14 HA LYS 3 HA LYS 3 -4.019 -5.969 -8.579 15 1HB LYS 3 2HB LYS 3 -4.683 -8.285 -8.817 16 2HB LYS 3 3HB LYS 3 -3.148 -8.705 -9.548 17 1HG LYS 3 2HG LYS 3 -2.187 -7.610 -7.272 18 2HG LYS 3 3HG LYS 3 -3.771 -8.059 -6.673 19 1HD LYS 3 2HD LYS 3 -3.112 -10.217 -6.480 20 2HD LYS 3 3HD LYS 3 -2.779 -10.287 -8.199 21 1HE LYS 3 2HE LYS 3 -0.653 -8.790 -6.918 22 2HE LYS 3 3HE LYS 3 -0.891 -10.282 -6.030 23 1HZ LYS 3 1HZ LYS 3 -0.641 -11.504 -8.040 24 2HZ LYS 3 2HZ LYS 3 -0.578 -10.148 -8.948 25 3HZ LYS 3 3HZ LYS 3 0.633 -10.491 -7.908 26 H ALA 4 HN ALA 4 -2.528 -4.376 -8.246 27 HA ALA 4 HA ALA 4 0.126 -4.696 -9.354 28 1HB ALA 4 1HB ALA 4 -1.590 -2.542 -8.703 29 2HB ALA 4 2HB ALA 4 -0.220 -2.433 -7.572 30 3HB ALA 4 3HB ALA 4 0.074 -2.449 -9.327 31 H VAL 5 HN VAL 5 2.074 -4.576 -7.998 32 HA VAL 5 HA VAL 5 1.574 -5.482 -5.251 33 HB VAL 5 HB VAL 5 3.922 -6.531 -6.743 34 1HG1 VAL 5 1HG1 VAL 5 4.041 -7.586 -4.770 35 2HG1 VAL 5 2HG1 VAL 5 2.374 -7.137 -4.337 36 3HG1 VAL 5 3HG1 VAL 5 2.677 -8.579 -5.337 37 1HG2 VAL 5 1HG2 VAL 5 1.141 -7.693 -7.115 38 2HG2 VAL 5 2HG2 VAL 5 2.052 -6.794 -8.353 39 3HG2 VAL 5 3HG2 VAL 5 2.668 -8.352 -7.750 40 H ALA 6 HN ALA 6 3.129 -4.792 -3.691 41 HA ALA 6 HA ALA 6 5.299 -3.121 -4.608 42 1HB ALA 6 1HB ALA 6 4.228 -1.409 -2.771 43 2HB ALA 6 2HB ALA 6 3.976 -1.267 -4.527 44 3HB ALA 6 3HB ALA 6 2.748 -2.061 -3.513 45 H VAL 7 HN VAL 7 6.654 -4.687 -3.627 46 HA VAL 7 HA VAL 7 6.175 -5.395 -0.879 47 HB VAL 7 HB VAL 7 7.034 -6.963 -2.598 48 1HG1 VAL 7 1HG1 VAL 7 8.713 -4.926 -3.343 49 2HG1 VAL 7 2HG1 VAL 7 9.807 -5.978 -2.412 50 3HG1 VAL 7 3HG1 VAL 7 8.910 -6.635 -3.802 51 1HG2 VAL 7 1HG2 VAL 7 7.933 -8.154 -0.932 52 2HG2 VAL 7 2HG2 VAL 7 9.303 -7.028 -0.771 53 3HG2 VAL 7 3HG2 VAL 7 7.775 -6.698 0.080 54 H LEU 8 HN LEU 8 6.494 -3.805 0.614 55 HA LEU 8 HA LEU 8 8.007 -1.571 0.346 56 1HB LEU 8 2HB LEU 8 7.350 -3.206 2.793 57 2HB LEU 8 3HB LEU 8 8.135 -1.642 2.874 58 HG LEU 8 HG LEU 8 5.347 -2.261 2.666 59 1HD1 LEU 8 1HD1 LEU 8 5.543 0.479 2.695 60 2HD1 LEU 8 2HD1 LEU 8 5.585 -0.583 4.123 61 3HD1 LEU 8 3HD1 LEU 8 7.105 -0.026 3.383 62 1HD2 LEU 8 1HD2 LEU 8 6.370 -0.513 0.410 63 2HD2 LEU 8 2HD2 LEU 8 5.632 -2.124 0.240 64 3HD2 LEU 8 3HD2 LEU 8 4.665 -0.763 0.859 65 H LYS 9 HN LYS 9 10.128 -1.133 0.081 66 HA LYS 9 HA LYS 9 12.003 -3.248 0.083 67 1HB LYS 9 2HB LYS 9 11.973 -1.142 -1.364 68 2HB LYS 9 3HB LYS 9 12.609 -0.285 0.026 69 1HG LYS 9 2HG LYS 9 13.941 -2.829 -0.974 70 2HG LYS 9 3HG LYS 9 14.301 -1.280 -1.710 71 1HD LYS 9 2HD LYS 9 14.530 -0.659 0.978 72 2HD LYS 9 3HD LYS 9 15.067 -2.327 0.971 73 1HE LYS 9 2HE LYS 9 16.239 -0.904 -1.293 74 2HE LYS 9 3HE LYS 9 16.558 -0.024 0.188 75 1HZ LYS 9 1HZ LYS 9 17.040 -2.529 0.931 76 2HZ LYS 9 2HZ LYS 9 17.516 -2.590 -0.629 77 3HZ LYS 9 3HZ LYS 9 18.187 -1.502 0.387 78 H GLY 10 HN GLY 10 11.300 -0.491 2.311 79 1HA GLY 10 1HA GLY 10 11.682 -0.313 4.531 80 2HA GLY 10 2HA GLY 10 12.214 -1.983 4.566 81 H ASP 11 HN ASP 11 13.223 1.139 5.125 82 HA ASP 11 HA ASP 11 15.605 1.443 3.898 83 1HB ASP 11 2HB ASP 11 14.250 2.755 5.871 84 2HB ASP 11 3HB ASP 11 15.523 2.041 6.840 85 H GLY 12 HN GLY 12 14.609 -0.924 6.291 86 1HA GLY 12 1HA GLY 12 16.940 -2.464 6.080 87 2HA GLY 12 2HA GLY 12 17.059 -1.502 7.540 88 HA PRO 13 HA PRO 13 14.141 -4.041 9.530 89 1HB PRO 13 2HB PRO 13 12.360 -2.394 10.789 90 2HB PRO 13 3HB PRO 13 13.973 -2.704 11.398 91 1HG PRO 13 2HG PRO 13 12.937 -0.291 10.043 92 2HG PRO 13 3HG PRO 13 14.380 -0.466 11.021 93 1HD PRO 13 2HD PRO 13 14.254 -0.310 8.159 94 2HD PRO 13 3HD PRO 13 15.683 -0.601 9.131 95 H VAL 14 HN VAL 14 12.056 -1.491 8.232 96 HA VAL 14 HA VAL 14 9.809 -2.967 7.913 97 HB VAL 14 HB VAL 14 11.039 -0.717 6.354 98 1HG1 VAL 14 1HG1 VAL 14 9.831 -1.534 4.577 99 2HG1 VAL 14 2HG1 VAL 14 8.625 -2.331 5.616 100 3HG1 VAL 14 3HG1 VAL 14 8.575 -0.566 5.386 101 1HG2 VAL 14 1HG2 VAL 14 8.909 -1.053 8.439 102 2HG2 VAL 14 2HG2 VAL 14 10.232 0.134 8.337 103 3HG2 VAL 14 3HG2 VAL 14 8.795 0.310 7.301 104 H GLN 15 HN GLN 15 8.861 -4.205 6.177 105 HA GLN 15 HA GLN 15 10.110 -4.834 3.846 106 1HB GLN 15 2HB GLN 15 11.625 -5.954 5.861 107 2HB GLN 15 3HB GLN 15 10.545 -7.281 5.482 108 1HG GLN 15 2HG GLN 15 11.514 -6.011 3.026 109 2HG GLN 15 3HG GLN 15 12.859 -6.495 4.040 110 1HE2 GLN 15 1HE2 GLN 15 9.608 -7.860 3.559 111 2HE2 GLN 15 2HE2 GLN 15 10.104 -9.443 3.061 112 H GLY 16 HN GLY 16 7.551 -4.282 4.316 113 1HA GLY 16 1HA GLY 16 6.069 -6.778 4.723 114 2HA GLY 16 2HA GLY 16 5.420 -5.150 4.682 115 H ILE 17 HN ILE 17 3.834 -6.366 3.181 116 HA ILE 17 HA ILE 17 4.766 -5.935 0.456 117 HB ILE 17 HB ILE 17 3.627 -8.511 1.520 118 1HG1 ILE 17 2HG1 ILE 17 5.991 -8.164 -0.315 119 2HG1 ILE 17 3HG1 ILE 17 6.166 -7.951 1.415 120 1HG2 ILE 17 1HG2 ILE 17 2.392 -8.667 -0.328 121 2HG2 ILE 17 2HG2 ILE 17 3.172 -7.253 -1.076 122 3HG2 ILE 17 3HG2 ILE 17 3.928 -8.859 -1.206 123 1HD1 ILE 17 1HD1 ILE 17 4.840 -10.278 1.506 124 2HD1 ILE 17 2HD1 ILE 17 5.501 -10.444 -0.138 125 3HD1 ILE 17 3HD1 ILE 17 6.600 -10.231 1.246 126 H ILE 18 HN ILE 18 3.362 -4.609 -0.557 127 HA ILE 18 HA ILE 18 0.567 -4.728 0.329 128 HB ILE 18 HB ILE 18 1.291 -2.797 1.366 129 1HG1 ILE 18 2HG1 ILE 18 -0.616 -2.593 -0.464 130 2HG1 ILE 18 3HG1 ILE 18 -0.077 -1.213 0.472 131 1HG2 ILE 18 1HG2 ILE 18 2.924 -2.133 -1.100 132 2HG2 ILE 18 2HG2 ILE 18 2.767 -1.111 0.348 133 3HG2 ILE 18 3HG2 ILE 18 3.545 -2.707 0.466 134 1HD1 ILE 18 1HD1 ILE 18 -0.252 -0.946 -2.116 135 2HD1 ILE 18 2HD1 ILE 18 1.215 -0.333 -1.316 136 3HD1 ILE 18 3HD1 ILE 18 1.254 -1.893 -2.171 137 H ASN 19 HN ASN 19 -0.851 -5.094 -1.298 138 HA ASN 19 HA ASN 19 0.220 -4.732 -3.984 139 1HB ASN 19 2HB ASN 19 -2.225 -6.421 -3.570 140 2HB ASN 19 3HB ASN 19 -0.862 -6.691 -4.638 141 1HD2 ASN 19 1HD2 ASN 19 0.319 -8.363 -4.155 142 2HD2 ASN 19 2HD2 ASN 19 0.634 -9.017 -2.583 143 H PHE 20 HN PHE 20 -1.511 -4.108 -5.657 144 HA PHE 20 HA PHE 20 -3.726 -2.652 -4.403 145 1HB PHE 20 2HB PHE 20 -1.454 -1.812 -6.162 146 2HB PHE 20 3HB PHE 20 -3.013 -1.284 -6.765 147 HD1 PHE 20 1HD PHE 20 -1.743 -1.574 -3.268 148 HD2 PHE 20 2HD PHE 20 -3.157 0.986 -6.343 149 HE1 PHE 20 1HE PHE 20 -1.704 0.364 -1.673 150 HE2 PHE 20 2HE PHE 20 -3.118 2.923 -4.748 151 HZ PHE 20 HZ PHE 20 -2.392 2.589 -2.432 152 H GLU 21 HN GLU 21 -5.434 -3.975 -4.976 153 HA GLU 21 HA GLU 21 -5.496 -4.854 -7.743 154 1HB GLU 21 2HB GLU 21 -5.773 -6.565 -5.933 155 2HB GLU 21 3HB GLU 21 -7.209 -5.730 -5.374 156 1HG GLU 21 2HG GLU 21 -8.484 -6.367 -7.231 157 2HG GLU 21 3HG GLU 21 -7.092 -6.479 -8.290 158 H GLN 22 HN GLN 22 -7.532 -4.630 -8.989 159 HA GLN 22 HA GLN 22 -9.412 -2.741 -7.908 160 1HB GLN 22 2HB GLN 22 -7.725 -1.274 -8.946 161 2HB GLN 22 3HB GLN 22 -7.814 -2.178 -10.445 162 1HG GLN 22 2HG GLN 22 -10.500 -1.492 -9.885 163 2HG GLN 22 3HG GLN 22 -9.589 -0.062 -9.444 164 1HE2 GLN 22 1HE2 GLN 22 -8.736 1.216 -10.961 165 2HE2 GLN 22 2HE2 GLN 22 -8.824 0.954 -12.671 166 H LYS 23 HN LYS 23 -10.299 -5.134 -8.085 167 HA LYS 23 HA LYS 23 -10.949 -6.037 -10.697 168 1HB LYS 23 2HB LYS 23 -11.580 -6.870 -7.889 169 2HB LYS 23 3HB LYS 23 -12.573 -7.495 -9.190 170 1HG LYS 23 2HG LYS 23 -10.220 -7.987 -10.349 171 2HG LYS 23 3HG LYS 23 -9.613 -7.890 -8.708 172 1HD LYS 23 2HD LYS 23 -10.168 -10.114 -8.628 173 2HD LYS 23 3HD LYS 23 -11.778 -9.510 -8.293 174 1HE LYS 23 2HE LYS 23 -12.158 -9.484 -10.851 175 2HE LYS 23 3HE LYS 23 -10.660 -10.382 -10.993 176 1HZ LYS 23 1HZ LYS 23 -13.204 -11.253 -10.022 177 2HZ LYS 23 2HZ LYS 23 -12.001 -12.115 -10.712 178 3HZ LYS 23 3HZ LYS 23 -11.942 -11.760 -9.119 179 H GLU 24 HN GLU 24 -11.718 -3.694 -11.249 180 HA GLU 24 HA GLU 24 -14.576 -3.840 -11.174 181 1HB GLU 24 2HB GLU 24 -13.075 -1.962 -9.484 182 2HB GLU 24 3HB GLU 24 -14.160 -1.123 -10.576 183 1HG GLU 24 2HG GLU 24 -15.069 -3.495 -8.890 184 2HG GLU 24 3HG GLU 24 -15.138 -1.847 -8.296 185 H SER 25 HN SER 25 -15.532 -1.997 -12.615 186 HA SER 25 HA SER 25 -14.110 -2.076 -15.028 187 1HB SER 25 2HB SER 25 -16.535 -0.405 -14.228 188 2HB SER 25 3HB SER 25 -15.976 -0.637 -15.873 189 HG SER 25 HG SER 25 -16.944 -2.685 -14.067 190 H ASN 26 HN ASN 26 -12.157 -1.037 -13.610 191 HA ASN 26 HA ASN 26 -10.752 0.603 -13.426 192 1HB ASN 26 2HB ASN 26 -12.562 1.905 -15.519 193 2HB ASN 26 3HB ASN 26 -11.097 2.680 -14.951 194 1HD2 ASN 26 1HD2 ASN 26 -10.768 2.452 -17.359 195 2HD2 ASN 26 2HD2 ASN 26 -9.920 1.051 -17.923 196 H GLY 27 HN GLY 27 -13.127 0.432 -11.658 197 1HA GLY 27 1HA GLY 27 -13.834 3.229 -11.135 198 2HA GLY 27 2HA GLY 27 -14.603 1.799 -10.475 199 HA PRO 28 HA PRO 28 -12.125 2.657 -6.975 200 1HB PRO 28 2HB PRO 28 -13.153 0.741 -5.319 201 2HB PRO 28 3HB PRO 28 -13.891 2.316 -5.537 202 1HG PRO 28 2HG PRO 28 -14.752 -0.300 -6.612 203 2HG PRO 28 3HG PRO 28 -15.676 1.181 -6.457 204 1HD PRO 28 2HD PRO 28 -14.533 0.117 -8.862 205 2HD PRO 28 3HD PRO 28 -15.356 1.653 -8.684 206 H VAL 29 HN VAL 29 -10.497 1.672 -5.526 207 HA VAL 29 HA VAL 29 -9.424 -0.726 -6.840 208 HB VAL 29 HB VAL 29 -7.895 1.674 -5.815 209 1HG1 VAL 29 1HG1 VAL 29 -6.645 -0.530 -7.419 210 2HG1 VAL 29 2HG1 VAL 29 -5.915 0.574 -6.228 211 3HG1 VAL 29 3HG1 VAL 29 -6.926 -0.784 -5.680 212 1HG2 VAL 29 1HG2 VAL 29 -7.821 0.773 -8.670 213 2HG2 VAL 29 2HG2 VAL 29 -9.235 1.695 -8.105 214 3HG2 VAL 29 3HG2 VAL 29 -7.605 2.398 -7.976 215 H LYS 30 HN LYS 30 -8.985 -2.403 -5.477 216 HA LYS 30 HA LYS 30 -9.527 -1.943 -2.669 217 1HB LYS 30 2HB LYS 30 -9.784 -4.142 -4.541 218 2HB LYS 30 3HB LYS 30 -8.897 -4.651 -3.118 219 1HG LYS 30 2HG LYS 30 -10.899 -3.179 -1.940 220 2HG LYS 30 3HG LYS 30 -11.738 -3.756 -3.365 221 1HD LYS 30 2HD LYS 30 -11.270 -6.080 -2.806 222 2HD LYS 30 3HD LYS 30 -10.156 -5.614 -1.536 223 1HE LYS 30 2HE LYS 30 -11.995 -4.624 -0.219 224 2HE LYS 30 3HE LYS 30 -13.132 -4.921 -1.519 225 1HZ LYS 30 1HZ LYS 30 -11.683 -7.238 -0.671 226 2HZ LYS 30 2HZ LYS 30 -12.660 -6.607 0.476 227 3HZ LYS 30 3HZ LYS 30 -13.279 -7.057 -0.967 228 H VAL 31 HN VAL 31 -7.729 -0.777 -1.912 229 HA VAL 31 HA VAL 31 -5.098 -1.849 -2.431 230 HB VAL 31 HB VAL 31 -6.127 0.519 -0.861 231 1HG1 VAL 31 1HG1 VAL 31 -4.152 0.126 0.266 232 2HG1 VAL 31 2HG1 VAL 31 -3.362 -0.615 -1.147 233 3HG1 VAL 31 3HG1 VAL 31 -3.576 1.151 -1.071 234 1HG2 VAL 31 1HG2 VAL 31 -4.449 0.609 -3.365 235 2HG2 VAL 31 2HG2 VAL 31 -6.217 0.423 -3.453 236 3HG2 VAL 31 3HG2 VAL 31 -5.510 1.859 -2.673 237 H TRP 32 HN TRP 32 -3.853 -3.042 -1.019 238 HA TRP 32 HA TRP 32 -4.566 -3.224 1.746 239 1HB TRP 32 2HB TRP 32 -5.502 -5.264 1.892 240 2HB TRP 32 3HB TRP 32 -6.113 -4.821 0.310 241 HD1 TRP 32 HD1 TRP 32 -3.152 -6.897 1.784 242 HE1 TRP 32 HE1 TRP 32 -2.511 -8.877 0.162 243 HE3 TRP 32 HE3 TRP 32 -6.399 -5.615 -1.912 244 HZ2 TRP 32 HZ2 TRP 32 -3.414 -9.667 -2.427 245 HZ3 TRP 32 HZ3 TRP 32 -6.457 -7.044 -3.954 246 HH2 TRP 32 HH2 TRP 32 -5.034 -9.009 -4.245 247 H GLY 33 HN GLY 33 -2.877 -4.469 2.925 248 1HA GLY 33 1HA GLY 33 -0.674 -5.640 1.609 249 2HA GLY 33 2HA GLY 33 -0.303 -3.965 1.969 250 H SER 34 HN SER 34 1.385 -5.251 3.339 251 HA SER 34 HA SER 34 0.412 -5.162 6.015 252 1HB SER 34 2HB SER 34 0.703 -7.719 4.645 253 2HB SER 34 3HB SER 34 1.833 -7.627 5.981 254 HG SER 34 HG SER 34 0.151 -7.330 7.444 255 H ILE 35 HN ILE 35 1.980 -3.976 7.037 256 HA ILE 35 HA ILE 35 4.621 -3.892 5.882 257 HB ILE 35 HB ILE 35 2.964 -2.242 7.620 258 1HG1 ILE 35 2HG1 ILE 35 5.306 -1.015 6.391 259 2HG1 ILE 35 3HG1 ILE 35 4.420 -2.004 5.247 260 1HG2 ILE 35 1HG2 ILE 35 5.911 -2.496 8.281 261 2HG2 ILE 35 2HG2 ILE 35 4.815 -1.227 8.878 262 3HG2 ILE 35 3HG2 ILE 35 4.545 -2.925 9.339 263 1HD1 ILE 35 1HD1 ILE 35 3.583 0.357 5.331 264 2HD1 ILE 35 2HD1 ILE 35 2.324 -0.823 5.767 265 3HD1 ILE 35 3HD1 ILE 35 3.143 0.114 7.039 266 H LYS 36 HN LYS 36 6.580 -4.102 7.328 267 HA LYS 36 HA LYS 36 6.206 -5.788 9.637 268 1HB LYS 36 2HB LYS 36 7.381 -6.819 7.059 269 2HB LYS 36 3HB LYS 36 7.905 -7.460 8.602 270 1HG LYS 36 2HG LYS 36 5.137 -7.461 8.894 271 2HG LYS 36 3HG LYS 36 5.320 -7.823 7.189 272 1HD LYS 36 2HD LYS 36 7.028 -9.623 7.867 273 2HD LYS 36 3HD LYS 36 6.548 -9.347 9.529 274 1HE LYS 36 2HE LYS 36 4.082 -9.648 8.302 275 2HE LYS 36 3HE LYS 36 5.074 -10.724 7.339 276 1HZ LYS 36 1HZ LYS 36 4.042 -11.636 9.432 277 2HZ LYS 36 2HZ LYS 36 5.626 -11.958 9.199 278 3HZ LYS 36 3HZ LYS 36 5.175 -10.802 10.261 279 H GLY 37 HN GLY 37 7.157 -4.150 10.866 280 1HA GLY 37 1HA GLY 37 9.729 -4.099 11.462 281 2HA GLY 37 2HA GLY 37 9.749 -3.109 10.016 282 H LEU 38 HN LEU 38 6.967 -2.047 10.483 283 HA LEU 38 HA LEU 38 7.636 0.267 11.830 284 1HB LEU 38 2HB LEU 38 5.180 -1.007 10.801 285 2HB LEU 38 3HB LEU 38 4.934 0.192 12.054 286 HG LEU 38 HG LEU 38 6.285 0.592 9.376 287 1HD1 LEU 38 1HD1 LEU 38 4.225 2.472 9.861 288 2HD1 LEU 38 2HD1 LEU 38 4.258 1.148 8.672 289 3HD1 LEU 38 3HD1 LEU 38 3.583 0.870 10.295 290 1HD2 LEU 38 1HD2 LEU 38 6.392 2.230 11.859 291 2HD2 LEU 38 2HD2 LEU 38 7.585 2.034 10.553 292 3HD2 LEU 38 3HD2 LEU 38 6.171 3.088 10.316 293 H THR 39 HN THR 39 5.614 0.785 13.721 294 HA THR 39 HA THR 39 5.971 -1.250 15.785 295 HB THR 39 HB THR 39 6.580 0.793 17.330 296 HG1 THR 39 1HG THR 39 7.391 2.561 16.082 297 1HG2 THR 39 1HG2 THR 39 8.779 0.140 17.172 298 2HG2 THR 39 2HG2 THR 39 8.205 -1.024 15.954 299 3HG2 THR 39 3HG2 THR 39 8.854 0.553 15.443 300 H GLU 40 HN GLU 40 4.120 -1.661 16.822 301 HA GLU 40 HA GLU 40 1.752 -0.776 16.094 302 1HB GLU 40 2HB GLU 40 0.975 -1.289 18.477 303 2HB GLU 40 3HB GLU 40 1.885 -2.557 17.680 304 1HG GLU 40 2HG GLU 40 3.731 -2.307 19.060 305 2HG GLU 40 3HG GLU 40 3.511 -0.576 19.229 306 H GLY 41 HN GLY 41 1.192 1.332 15.659 307 1HA GLY 41 1HA GLY 41 0.353 3.126 17.465 308 2HA GLY 41 2HA GLY 41 2.072 3.468 17.413 309 H LEU 42 HN LEU 42 0.420 5.492 16.617 310 HA LEU 42 HA LEU 42 -0.378 5.489 13.962 311 1HB LEU 42 2HB LEU 42 0.162 7.492 16.068 312 2HB LEU 42 3HB LEU 42 0.223 8.089 14.421 313 HG LEU 42 HG LEU 42 -2.112 6.675 14.357 314 1HD1 LEU 42 1HD1 LEU 42 -1.635 7.527 17.191 315 2HD1 LEU 42 2HD1 LEU 42 -3.279 7.602 16.511 316 3HD1 LEU 42 3HD1 LEU 42 -2.402 6.053 16.553 317 1HD2 LEU 42 1HD2 LEU 42 -1.376 9.530 14.730 318 2HD2 LEU 42 2HD2 LEU 42 -2.306 8.735 13.436 319 3HD2 LEU 42 3HD2 LEU 42 -3.080 9.091 14.999 320 H HIS 43 HN HIS 43 0.621 6.744 12.130 321 HA HIS 43 HA HIS 43 3.491 6.970 12.271 322 1HB HIS 43 2HB HIS 43 2.111 4.974 10.462 323 2HB HIS 43 3HB HIS 43 3.740 5.556 10.181 324 HD1 HIS 43 HD1 HIS 43 5.125 5.389 12.819 325 HD2 HIS 43 HD2 HIS 43 2.319 2.516 11.609 326 HE1 HIS 43 HE1 HIS 43 5.622 3.288 14.178 327 H GLY 44 HN GLY 44 4.333 7.857 10.066 328 1HA GLY 44 1HA GLY 44 2.500 9.987 9.288 329 2HA GLY 44 2HA GLY 44 4.214 9.868 8.941 330 H PHE 45 HN PHE 45 2.895 10.626 6.792 331 HA PHE 45 HA PHE 45 1.526 8.773 5.291 332 1HB PHE 45 2HB PHE 45 3.588 10.833 4.314 333 2HB PHE 45 3HB PHE 45 2.176 10.289 3.430 334 HD1 PHE 45 1HD PHE 45 3.421 12.545 5.980 335 HD2 PHE 45 2HD PHE 45 -0.083 11.023 4.132 336 HE1 PHE 45 1HE PHE 45 2.093 14.453 6.927 337 HE2 PHE 45 2HE PHE 45 -1.411 12.931 5.079 338 HZ PHE 45 HZ PHE 45 -0.307 14.623 6.466 339 H HIS 46 HN HIS 46 2.492 8.028 2.992 340 HA HIS 46 HA HIS 46 5.183 7.011 3.322 341 1HB HIS 46 2HB HIS 46 4.464 4.705 2.734 342 2HB HIS 46 3HB HIS 46 3.953 5.233 4.325 343 HD1 HIS 46 HD1 HIS 46 2.220 3.111 3.792 344 HD2 HIS 46 HD2 HIS 46 1.550 6.744 1.805 345 HE1 HIS 46 HE1 HIS 46 -0.193 3.039 2.965 346 H VAL 47 HN VAL 47 4.924 8.996 1.691 347 HA VAL 47 HA VAL 47 4.939 7.761 -0.931 348 HB VAL 47 HB VAL 47 3.143 10.075 -0.181 349 1HG1 VAL 47 1HG1 VAL 47 2.507 10.036 -2.620 350 2HG1 VAL 47 2HG1 VAL 47 4.147 10.639 -2.281 351 3HG1 VAL 47 3HG1 VAL 47 3.918 8.988 -2.904 352 1HG2 VAL 47 1HG2 VAL 47 2.678 7.210 -0.958 353 2HG2 VAL 47 2HG2 VAL 47 1.906 8.184 0.317 354 3HG2 VAL 47 3HG2 VAL 47 1.473 8.446 -1.390 355 H HIS 48 HN HIS 48 6.160 9.024 -2.492 356 HA HIS 48 HA HIS 48 7.224 11.515 -1.924 357 1HB HIS 48 2HB HIS 48 8.918 11.174 -0.538 358 2HB HIS 48 3HB HIS 48 8.457 9.491 -0.387 359 HD1 HIS 48 HD1 HIS 48 9.807 7.730 -1.763 360 HD2 HIS 48 HD2 HIS 48 11.110 11.685 -2.266 361 HE1 HIS 48 HE1 HIS 48 12.071 7.593 -2.934 362 H GLU 49 HN GLU 49 8.850 12.163 -3.584 363 HA GLU 49 HA GLU 49 9.839 12.037 -5.539 364 1HB GLU 49 2HB GLU 49 10.212 9.529 -4.958 365 2HB GLU 49 3HB GLU 49 8.841 9.204 -6.001 366 1HG GLU 49 2HG GLU 49 10.507 9.073 -7.599 367 2HG GLU 49 3HG GLU 49 10.208 10.797 -7.693 368 H GLU 50 HN GLU 50 9.121 12.831 -7.535 369 HA GLU 50 HA GLU 50 6.490 13.473 -7.783 370 1HB GLU 50 2HB GLU 50 8.256 14.639 -9.004 371 2HB GLU 50 3HB GLU 50 8.642 13.198 -9.924 372 1HG GLU 50 2HG GLU 50 5.947 13.431 -10.459 373 2HG GLU 50 3HG GLU 50 6.382 15.118 -10.265 374 H GLU 51 HN GLU 51 8.004 11.406 -10.329 375 HA GLU 51 HA GLU 51 5.645 9.703 -10.108 376 1HB GLU 51 2HB GLU 51 6.716 11.174 -12.375 377 2HB GLU 51 3HB GLU 51 6.744 9.458 -12.729 378 1HG GLU 51 2HG GLU 51 4.410 9.229 -12.535 379 2HG GLU 51 3HG GLU 51 4.254 10.611 -11.468 380 H ASP 52 HN ASP 52 6.514 7.688 -11.948 381 HA ASP 52 HA ASP 52 7.918 6.057 -10.299 382 1HB ASP 52 2HB ASP 52 8.035 5.962 -13.347 383 2HB ASP 52 3HB ASP 52 8.224 4.606 -12.253 384 H ASN 53 HN ASN 53 9.992 6.508 -9.511 385 HA ASN 53 HA ASN 53 12.174 6.436 -11.158 386 1HB ASN 53 2HB ASN 53 11.060 9.180 -10.701 387 2HB ASN 53 3HB ASN 53 12.784 9.030 -10.420 388 1HD2 ASN 53 1HD2 ASN 53 12.227 10.642 -12.347 389 2HD2 ASN 53 2HD2 ASN 53 12.469 9.977 -13.929 390 H THR 54 HN THR 54 12.133 4.983 -9.087 391 HA THR 54 HA THR 54 13.771 6.258 -7.076 392 HB THR 54 HB THR 54 11.632 6.792 -6.106 393 HG1 THR 54 1HG THR 54 12.332 4.100 -5.184 394 1HG2 THR 54 1HG2 THR 54 10.340 5.117 -7.640 395 2HG2 THR 54 2HG2 THR 54 10.770 3.883 -6.431 396 3HG2 THR 54 3HG2 THR 54 9.769 5.278 -5.962 397 H ALA 55 HN ALA 55 11.916 3.297 -8.022 398 HA ALA 55 HA ALA 55 12.617 1.206 -8.280 399 1HB ALA 55 1HB ALA 55 14.745 0.872 -9.002 400 2HB ALA 55 2HB ALA 55 14.869 2.645 -8.902 401 3HB ALA 55 3HB ALA 55 15.459 1.634 -7.561 402 H GLY 56 HN GLY 56 14.586 2.749 -5.635 403 1HA GLY 56 1HA GLY 56 13.163 1.424 -3.576 404 2HA GLY 56 2HA GLY 56 14.641 0.553 -3.934 405 H CYS 57 HN CYS 57 13.733 4.079 -3.824 406 HA CYS 57 HA CYS 57 14.588 5.774 -2.722 407 1HB CYS 57 2HB CYS 57 15.881 3.775 -0.857 408 2HB CYS 57 3HB CYS 57 15.650 5.486 -0.557 409 H THR 58 HN THR 58 16.360 7.091 -3.216 410 HA THR 58 HA THR 58 18.826 5.686 -4.008 411 HB THR 58 HB THR 58 18.995 7.251 -5.877 412 HG1 THR 58 1HG THR 58 17.562 9.052 -5.898 413 1HG2 THR 58 1HG2 THR 58 16.061 6.407 -5.601 414 2HG2 THR 58 2HG2 THR 58 16.858 6.909 -7.111 415 3HG2 THR 58 3HG2 THR 58 17.349 5.400 -6.304 416 H SER 59 HN SER 59 19.882 8.517 -4.594 417 HA SER 59 HA SER 59 19.984 9.602 -1.946 418 1HB SER 59 2HB SER 59 22.184 7.978 -3.103 419 2HB SER 59 3HB SER 59 22.699 9.538 -2.493 420 HG SER 59 HG SER 59 21.913 7.272 -1.100 421 H ALA 60 HN ALA 60 19.063 11.488 -2.925 422 HA ALA 60 HA ALA 60 21.003 13.045 -4.433 423 1HB ALA 60 1HB ALA 60 18.306 13.350 -5.528 424 2HB ALA 60 2HB ALA 60 19.850 13.069 -6.369 425 3HB ALA 60 3HB ALA 60 18.923 11.692 -5.727 426 H GLY 61 HN GLY 61 17.496 13.188 -3.468 427 1HA GLY 61 1HA GLY 61 17.653 14.717 -1.236 428 2HA GLY 61 2HA GLY 61 17.823 15.892 -2.525 429 HA PRO 62 HA PRO 62 13.532 13.884 -2.930 430 1HB PRO 62 2HB PRO 62 12.624 12.287 -0.907 431 2HB PRO 62 3HB PRO 62 13.355 11.657 -2.370 432 1HG PRO 62 2HG PRO 62 14.514 11.858 0.342 433 2HG PRO 62 3HG PRO 62 15.040 10.870 -1.006 434 1HD PRO 62 2HD PRO 62 16.249 13.303 -0.086 435 2HD PRO 62 3HD PRO 62 16.704 12.378 -1.503 436 H HIS 63 HN HIS 63 11.897 15.293 -2.759 437 HA HIS 63 HA HIS 63 11.478 16.333 -0.069 438 1HB HIS 63 2HB HIS 63 12.780 17.769 -2.135 439 2HB HIS 63 3HB HIS 63 11.171 18.450 -2.004 440 HD1 HIS 63 HD1 HIS 63 13.875 19.894 -1.106 441 HD2 HIS 63 HD2 HIS 63 11.136 17.975 1.426 442 HE1 HIS 63 HE1 HIS 63 14.207 20.913 1.209 443 H PHE 64 HN PHE 64 9.978 14.309 -1.260 444 HA PHE 64 HA PHE 64 7.942 13.739 -1.895 445 1HB PHE 64 2HB PHE 64 7.481 16.479 -0.585 446 2HB PHE 64 3HB PHE 64 6.140 15.456 -1.060 447 HD1 PHE 64 1HD PHE 64 9.272 15.303 0.965 448 HD2 PHE 64 2HD PHE 64 5.265 13.989 0.496 449 HE1 PHE 64 1HE PHE 64 9.408 14.103 3.166 450 HE2 PHE 64 2HE PHE 64 5.400 12.789 2.696 451 HZ PHE 64 HZ PHE 64 7.470 12.860 4.005 452 H ASN 65 HN ASN 65 5.685 14.934 -2.903 453 HA ASN 65 HA ASN 65 6.657 15.740 -5.462 454 1HB ASN 65 2HB ASN 65 3.738 15.624 -4.574 455 2HB ASN 65 3HB ASN 65 4.365 15.443 -6.201 456 1HD2 ASN 65 1HD2 ASN 65 4.004 13.976 -3.053 457 2HD2 ASN 65 2HD2 ASN 65 4.330 12.335 -3.503 458 HA PRO 66 HA PRO 66 5.990 19.993 -4.518 459 1HB PRO 66 2HB PRO 66 6.493 21.055 -6.985 460 2HB PRO 66 3HB PRO 66 7.757 20.647 -5.842 461 1HG PRO 66 2HG PRO 66 6.941 19.212 -8.294 462 2HG PRO 66 3HG PRO 66 8.435 19.076 -7.388 463 1HD PRO 66 2HD PRO 66 6.240 17.229 -7.366 464 2HD PRO 66 3HD PRO 66 7.683 17.155 -6.374 465 H LEU 67 HN LEU 67 3.719 19.328 -4.047 466 HA LEU 67 HA LEU 67 2.057 21.035 -5.602 467 1HB LEU 67 2HB LEU 67 2.189 18.197 -6.266 468 2HB LEU 67 3HB LEU 67 0.570 18.712 -5.838 469 HG LEU 67 HG LEU 67 2.006 20.478 -7.739 470 1HD1 LEU 67 1HD1 LEU 67 2.691 18.856 -9.105 471 2HD1 LEU 67 2HD1 LEU 67 1.794 17.605 -8.210 472 3HD1 LEU 67 3HD1 LEU 67 0.969 18.571 -9.457 473 1HD2 LEU 67 1HD2 LEU 67 -0.786 19.299 -7.752 474 2HD2 LEU 67 2HD2 LEU 67 -0.327 20.859 -7.028 475 3HD2 LEU 67 3HD2 LEU 67 -0.175 20.614 -8.785 476 H SER 68 HN SER 68 2.334 18.322 -3.241 477 HA SER 68 HA SER 68 -0.037 18.903 -1.925 478 1HB SER 68 2HB SER 68 1.674 16.856 -1.797 479 2HB SER 68 3HB SER 68 2.337 17.762 -0.451 480 HG SER 68 HG SER 68 -0.346 16.734 -0.749 481 H ARG 69 HN ARG 69 3.399 19.883 -1.304 482 HA ARG 69 HA ARG 69 4.244 21.599 -0.290 483 1HB ARG 69 2HB ARG 69 1.369 22.635 -0.185 484 2HB ARG 69 3HB ARG 69 2.741 23.576 0.366 485 1HG ARG 69 2HG ARG 69 3.381 22.539 -2.251 486 2HG ARG 69 3HG ARG 69 1.775 23.236 -2.332 487 1HD ARG 69 2HD ARG 69 2.532 25.390 -1.933 488 2HD ARG 69 3HD ARG 69 3.795 24.863 -0.839 489 HE ARG 69 HE ARG 69 4.376 23.979 -3.529 490 1HH1 ARG 69 2HH2 ARG 69 4.407 26.844 -1.486 491 2HH1 ARG 69 1HH2 ARG 69 5.658 27.631 -2.390 492 1HH2 ARG 69 2HH1 ARG 69 6.027 25.017 -4.721 493 2HH2 ARG 69 1HH1 ARG 69 6.585 26.585 -4.242 494 H LYS 70 HN LYS 70 1.015 20.978 1.290 495 HA LYS 70 HA LYS 70 0.651 20.004 3.300 496 1HB LYS 70 2HB LYS 70 3.121 19.198 3.153 497 2HB LYS 70 3HB LYS 70 3.469 20.544 4.220 498 1HG LYS 70 2HG LYS 70 1.234 18.590 4.872 499 2HG LYS 70 3HG LYS 70 2.896 18.214 5.281 500 1HD LYS 70 2HD LYS 70 2.805 19.562 7.102 501 2HD LYS 70 3HD LYS 70 2.352 20.934 6.110 502 1HE LYS 70 2HE LYS 70 0.323 20.864 7.136 503 2HE LYS 70 3HE LYS 70 -0.008 19.422 6.197 504 1HZ LYS 70 1HZ LYS 70 1.280 18.279 8.083 505 2HZ LYS 70 2HZ LYS 70 0.928 19.621 8.944 506 3HZ LYS 70 3HZ LYS 70 -0.277 18.706 8.328 507 H HIS 71 HN HIS 71 3.120 22.635 3.776 508 HA HIS 71 HA HIS 71 2.085 23.855 5.896 509 1HB HIS 71 2HB HIS 71 3.911 24.999 5.290 510 2HB HIS 71 3HB HIS 71 3.674 24.674 3.584 511 HD1 HIS 71 HD1 HIS 71 2.528 26.486 2.156 512 HD2 HIS 71 HD2 HIS 71 2.640 27.392 6.251 513 HE1 HIS 71 HE1 HIS 71 1.827 28.930 2.367 514 H GLY 72 HN GLY 72 -0.122 23.907 6.258 515 1HA GLY 72 1HA GLY 72 -1.803 25.767 5.883 516 2HA GLY 72 2HA GLY 72 -1.769 25.250 4.209 517 H GLY 73 HN GLY 73 -3.665 24.187 3.794 518 1HA GLY 73 1HA GLY 73 -4.830 22.490 5.866 519 2HA GLY 73 2HA GLY 73 -5.574 23.010 4.367 520 HA PRO 74 HA PRO 74 -3.292 18.894 3.947 521 1HB PRO 74 2HB PRO 74 -4.706 17.033 5.363 522 2HB PRO 74 3HB PRO 74 -3.229 17.767 5.953 523 1HG PRO 74 2HG PRO 74 -6.019 18.299 6.773 524 2HG PRO 74 3HG PRO 74 -4.533 18.688 7.617 525 1HD PRO 74 2HD PRO 74 -6.194 20.501 6.140 526 2HD PRO 74 3HD PRO 74 -4.650 20.865 6.886 527 H LYS 75 HN LYS 75 -6.186 20.249 3.424 528 HA LYS 75 HA LYS 75 -6.587 19.006 1.010 529 1HB LYS 75 2HB LYS 75 -8.681 17.650 1.614 530 2HB LYS 75 3HB LYS 75 -7.114 16.926 1.915 531 1HG LYS 75 2HG LYS 75 -7.347 17.996 4.318 532 2HG LYS 75 3HG LYS 75 -9.049 18.129 3.920 533 1HD LYS 75 2HD LYS 75 -8.688 15.551 3.183 534 2HD LYS 75 3HD LYS 75 -7.383 15.657 4.347 535 1HE LYS 75 2HE LYS 75 -8.978 16.460 6.087 536 2HE LYS 75 3HE LYS 75 -10.290 16.407 4.926 537 1HZ LYS 75 1HZ LYS 75 -9.441 14.359 6.491 538 2HZ LYS 75 2HZ LYS 75 -10.487 14.248 5.241 539 3HZ LYS 75 3HZ LYS 75 -8.897 13.957 5.005 540 H ASP 76 HN ASP 76 -6.550 21.611 2.076 541 HA ASP 76 HA ASP 76 -9.288 22.349 1.473 542 1HB ASP 76 2HB ASP 76 -7.892 22.739 4.012 543 2HB ASP 76 3HB ASP 76 -8.290 24.292 3.306 544 H GLU 77 HN GLU 77 -6.174 23.941 2.526 545 HA GLU 77 HA GLU 77 -6.417 25.686 0.228 546 1HB GLU 77 2HB GLU 77 -5.531 26.021 2.943 547 2HB GLU 77 3HB GLU 77 -4.162 26.351 1.901 548 1HG GLU 77 2HG GLU 77 -6.595 27.556 0.804 549 2HG GLU 77 3HG GLU 77 -6.347 28.078 2.458 550 H GLU 78 HN GLU 78 -5.230 22.698 0.710 551 HA GLU 78 HA GLU 78 -3.686 22.592 -1.475 552 1HB GLU 78 2HB GLU 78 -2.229 23.971 0.560 553 2HB GLU 78 3HB GLU 78 -1.491 22.389 0.412 554 1HG GLU 78 2HG GLU 78 -0.684 22.814 -1.695 555 2HG GLU 78 3HG GLU 78 -2.147 23.633 -2.202 556 H ARG 79 HN ARG 79 -1.593 20.745 -0.610 557 HA ARG 79 HA ARG 79 -1.295 18.671 -0.087 558 1HB ARG 79 2HB ARG 79 -3.416 19.381 1.959 559 2HB ARG 79 3HB ARG 79 -2.921 17.706 1.809 560 1HG ARG 79 2HG ARG 79 -0.485 19.121 1.823 561 2HG ARG 79 3HG ARG 79 -1.470 19.982 2.989 562 1HD ARG 79 2HD ARG 79 -0.942 18.353 4.488 563 2HD ARG 79 3HD ARG 79 -1.987 17.281 3.579 564 HE ARG 79 HE ARG 79 0.308 17.080 2.134 565 1HH1 ARG 79 2HH2 ARG 79 -0.236 16.957 5.608 566 2HH1 ARG 79 1HH2 ARG 79 1.114 15.915 5.912 567 1HH2 ARG 79 2HH1 ARG 79 2.089 15.705 2.533 568 2HH2 ARG 79 1HH1 ARG 79 2.445 15.198 4.151 569 H HIS 80 HN HIS 80 -2.037 18.098 -2.281 570 HA HIS 80 HA HIS 80 -4.429 16.459 -2.155 571 1HB HIS 80 2HB HIS 80 -4.937 17.419 -4.546 572 2HB HIS 80 3HB HIS 80 -5.534 18.216 -3.104 573 HD1 HIS 80 HD1 HIS 80 -5.014 20.660 -2.908 574 HD2 HIS 80 HD2 HIS 80 -2.396 18.685 -5.523 575 HE1 HIS 80 HE1 HIS 80 -3.541 22.467 -3.945 576 H VAL 81 HN VAL 81 -1.504 15.976 -2.103 577 HA VAL 81 HA VAL 81 -1.376 14.379 -4.559 578 HB VAL 81 HB VAL 81 0.638 16.281 -3.413 579 1HG1 VAL 81 1HG1 VAL 81 2.256 14.733 -3.558 580 2HG1 VAL 81 2HG1 VAL 81 1.204 13.586 -4.421 581 3HG1 VAL 81 3HG1 VAL 81 2.057 14.863 -5.322 582 1HG2 VAL 81 1HG2 VAL 81 -0.495 15.683 -6.152 583 2HG2 VAL 81 2HG2 VAL 81 -0.559 17.200 -5.223 584 3HG2 VAL 81 3HG2 VAL 81 0.980 16.653 -5.931 585 H GLY 82 HN GLY 82 1.077 14.703 -1.971 586 1HA GLY 82 1HA GLY 82 1.048 11.884 -1.506 587 2HA GLY 82 2HA GLY 82 1.999 13.097 -0.673 588 H ASP 83 HN ASP 83 -0.471 14.752 -0.026 589 HA ASP 83 HA ASP 83 -0.892 13.893 2.491 590 1HB ASP 83 2HB ASP 83 -1.659 16.067 1.997 591 2HB ASP 83 3HB ASP 83 -2.504 15.552 0.551 592 H LEU 84 HN LEU 84 -2.550 12.592 3.535 593 HA LEU 84 HA LEU 84 -4.651 11.428 2.008 594 1HB LEU 84 2HB LEU 84 -2.407 10.158 1.480 595 2HB LEU 84 3HB LEU 84 -2.704 9.405 3.034 596 HG LEU 84 HG LEU 84 -3.530 8.063 1.143 597 1HD1 LEU 84 1HD1 LEU 84 -5.140 7.220 2.435 598 2HD1 LEU 84 2HD1 LEU 84 -4.798 8.568 3.546 599 3HD1 LEU 84 3HD1 LEU 84 -6.110 8.710 2.351 600 1HD2 LEU 84 1HD2 LEU 84 -5.194 8.731 -0.342 601 2HD2 LEU 84 2HD2 LEU 84 -5.695 10.103 0.676 602 3HD2 LEU 84 3HD2 LEU 84 -4.153 10.168 -0.210 603 H GLY 85 HN GLY 85 -2.538 10.745 4.891 604 1HA GLY 85 1HA GLY 85 -4.230 11.690 6.832 605 2HA GLY 85 2HA GLY 85 -4.786 10.057 6.521 606 H ASN 86 HN ASN 86 -4.065 8.893 8.283 607 HA ASN 86 HA ASN 86 -1.182 8.839 8.597 608 1HB ASN 86 2HB ASN 86 -3.160 8.870 10.936 609 2HB ASN 86 3HB ASN 86 -1.413 8.806 11.067 610 1HD2 ASN 86 1HD2 ASN 86 -2.809 10.735 12.356 611 2HD2 ASN 86 2HD2 ASN 86 -2.529 12.295 11.658 612 H VAL 87 HN VAL 87 -0.410 6.695 8.964 613 HA VAL 87 HA VAL 87 -2.498 4.637 9.001 614 HB VAL 87 HB VAL 87 -0.546 3.195 8.215 615 1HG1 VAL 87 1HG1 VAL 87 -0.704 4.204 5.843 616 2HG1 VAL 87 2HG1 VAL 87 -2.209 3.669 6.629 617 3HG1 VAL 87 3HG1 VAL 87 -1.800 5.400 6.576 618 1HG2 VAL 87 1HG2 VAL 87 1.476 4.066 7.718 619 2HG2 VAL 87 2HG2 VAL 87 0.786 5.579 7.086 620 3HG2 VAL 87 3HG2 VAL 87 0.995 5.361 8.840 621 H THR 88 HN THR 88 -2.180 2.743 10.378 622 HA THR 88 HA THR 88 -0.309 3.218 12.594 623 HB THR 88 HB THR 88 -3.320 2.798 12.642 624 HG1 THR 88 1HG THR 88 -2.802 4.902 13.168 625 1HG2 THR 88 1HG2 THR 88 -1.255 2.007 14.742 626 2HG2 THR 88 2HG2 THR 88 -2.883 2.552 15.212 627 3HG2 THR 88 3HG2 THR 88 -2.688 1.095 14.210 628 H ALA 89 HN ALA 89 0.453 1.337 13.672 629 HA ALA 89 HA ALA 89 0.496 -0.938 11.890 630 1HB ALA 89 1HB ALA 89 2.035 0.027 14.287 631 2HB ALA 89 2HB ALA 89 2.083 -1.704 13.875 632 3HB ALA 89 3HB ALA 89 2.626 -0.492 12.691 633 H ASP 90 HN ASP 90 0.314 -3.194 12.951 634 HA ASP 90 HA ASP 90 -2.259 -3.376 14.002 635 1HB ASP 90 2HB ASP 90 -1.444 -5.229 12.732 636 2HB ASP 90 3HB ASP 90 0.050 -5.312 13.644 637 H LYS 91 HN LYS 91 0.304 -5.305 15.558 638 HA LYS 91 HA LYS 91 0.123 -3.721 17.995 639 1HB LYS 91 2HB LYS 91 -1.647 -5.230 18.401 640 2HB LYS 91 3HB LYS 91 -0.779 -6.587 17.712 641 1HG LYS 91 2HG LYS 91 0.680 -6.776 19.581 642 2HG LYS 91 3HG LYS 91 0.373 -5.134 20.113 643 1HD LYS 91 2HD LYS 91 -1.862 -5.701 20.876 644 2HD LYS 91 3HD LYS 91 -1.808 -7.264 20.085 645 1HE LYS 91 2HE LYS 91 -0.438 -8.210 21.719 646 2HE LYS 91 3HE LYS 91 0.361 -6.695 22.088 647 1HZ LYS 91 1HZ LYS 91 -0.994 -6.974 23.874 648 2HZ LYS 91 2HZ LYS 91 -1.970 -6.056 22.941 649 3HZ LYS 91 3HZ LYS 91 -2.209 -7.668 23.032 650 H ASP 92 HN ASP 92 2.041 -4.633 15.665 651 HA ASP 92 HA ASP 92 4.259 -4.906 17.429 652 1HB ASP 92 2HB ASP 92 3.119 -7.266 16.370 653 2HB ASP 92 3HB ASP 92 4.480 -6.943 15.315 654 H GLY 93 HN GLY 93 3.028 -3.092 15.314 655 1HA GLY 93 1HA GLY 93 4.169 -1.614 13.935 656 2HA GLY 93 2HA GLY 93 5.419 -2.809 13.653 657 H VAL 94 HN VAL 94 3.684 -5.074 13.027 658 HA VAL 94 HA VAL 94 3.481 -4.875 10.332 659 HB VAL 94 HB VAL 94 1.701 -6.476 12.181 660 1HG1 VAL 94 1HG1 VAL 94 1.511 -6.237 9.443 661 2HG1 VAL 94 2HG1 VAL 94 2.551 -7.669 9.630 662 3HG1 VAL 94 3HG1 VAL 94 0.947 -7.626 10.402 663 1HG2 VAL 94 1HG2 VAL 94 4.566 -6.589 11.667 664 2HG2 VAL 94 2HG2 VAL 94 3.587 -7.457 12.875 665 3HG2 VAL 94 3HG2 VAL 94 3.757 -8.113 11.229 666 H ALA 95 HN ALA 95 2.544 -3.176 9.274 667 HA ALA 95 HA ALA 95 -0.137 -2.387 10.162 668 1HB ALA 95 1HB ALA 95 1.105 -0.704 8.129 669 2HB ALA 95 2HB ALA 95 0.531 -0.276 9.759 670 3HB ALA 95 3HB ALA 95 2.176 -0.917 9.535 671 H ASP 96 HN ASP 96 -1.786 -3.316 9.066 672 HA ASP 96 HA ASP 96 -1.218 -4.118 6.328 673 1HB ASP 96 2HB ASP 96 -2.903 -5.786 6.564 674 2HB ASP 96 3HB ASP 96 -2.035 -5.815 8.086 675 H VAL 97 HN VAL 97 -2.901 -3.628 4.677 676 HA VAL 97 HA VAL 97 -4.754 -1.514 5.530 677 HB VAL 97 HB VAL 97 -3.211 -1.675 2.934 678 1HG1 VAL 97 1HG1 VAL 97 -5.060 0.464 4.045 679 2HG1 VAL 97 2HG1 VAL 97 -4.083 0.614 2.565 680 3HG1 VAL 97 3HG1 VAL 97 -5.380 -0.601 2.655 681 1HG2 VAL 97 1HG2 VAL 97 -2.453 0.655 4.228 682 2HG2 VAL 97 2HG2 VAL 97 -2.523 -0.540 5.546 683 3HG2 VAL 97 3HG2 VAL 97 -1.499 -0.844 4.122 684 H SER 98 HN SER 98 -6.696 -1.324 4.090 685 HA SER 98 HA SER 98 -7.289 -3.236 2.202 686 1HB SER 98 2HB SER 98 -9.040 -4.535 3.584 687 2HB SER 98 3HB SER 98 -7.360 -4.975 3.812 688 HG SER 98 HG SER 98 -7.334 -4.086 5.821 689 H ILE 99 HN ILE 99 -7.959 -1.082 1.399 690 HA ILE 99 HA ILE 99 -10.674 -0.473 2.285 691 HB ILE 99 HB ILE 99 -8.581 1.651 1.823 692 1HG1 ILE 99 2HG1 ILE 99 -9.287 1.831 4.471 693 2HG1 ILE 99 3HG1 ILE 99 -9.243 0.095 4.239 694 1HG2 ILE 99 1HG2 ILE 99 -10.396 3.025 3.027 695 2HG2 ILE 99 2HG2 ILE 99 -10.655 2.591 1.320 696 3HG2 ILE 99 3HG2 ILE 99 -11.490 1.686 2.605 697 1HD1 ILE 99 1HD1 ILE 99 -7.013 2.110 3.866 698 2HD1 ILE 99 2HD1 ILE 99 -7.007 0.589 4.791 699 3HD1 ILE 99 3HD1 ILE 99 -6.956 0.549 3.012 700 H GLU 100 HN GLU 100 -11.803 0.964 0.605 701 HA GLU 100 HA GLU 100 -10.694 0.369 -2.024 702 1HB GLU 100 2HB GLU 100 -12.839 -0.977 -1.032 703 2HB GLU 100 3HB GLU 100 -13.674 0.403 -1.718 704 1HG GLU 100 2HG GLU 100 -12.005 -0.150 -3.796 705 2HG GLU 100 3HG GLU 100 -12.112 -1.756 -3.103 706 H ASP 101 HN ASP 101 -10.094 2.348 -2.819 707 HA ASP 101 HA ASP 101 -11.554 4.661 -2.016 708 1HB ASP 101 2HB ASP 101 -9.157 4.142 -3.812 709 2HB ASP 101 3HB ASP 101 -9.892 5.732 -3.749 710 H SER 102 HN SER 102 -13.437 5.239 -3.109 711 HA SER 102 HA SER 102 -13.728 4.271 -5.824 712 1HB SER 102 2HB SER 102 -16.116 4.718 -5.541 713 2HB SER 102 3HB SER 102 -15.535 3.781 -4.179 714 HG SER 102 HG SER 102 -16.585 6.369 -4.245 715 H VAL 103 HN VAL 103 -11.857 6.242 -5.802 716 HA VAL 103 HA VAL 103 -13.284 8.434 -7.069 717 HB VAL 103 HB VAL 103 -11.327 8.754 -4.788 718 1HG1 VAL 103 1HG1 VAL 103 -12.581 10.985 -6.409 719 2HG1 VAL 103 2HG1 VAL 103 -11.306 11.103 -5.173 720 3HG1 VAL 103 3HG1 VAL 103 -10.958 10.335 -6.741 721 1HG2 VAL 103 1HG2 VAL 103 -13.210 10.074 -3.787 722 2HG2 VAL 103 2HG2 VAL 103 -14.244 9.518 -5.124 723 3HG2 VAL 103 3HG2 VAL 103 -13.555 8.339 -3.982 724 H ILE 104 HN ILE 104 -10.139 6.894 -6.166 725 HA ILE 104 HA ILE 104 -8.971 7.971 -8.603 726 HB ILE 104 HB ILE 104 -6.895 6.885 -7.649 727 1HG1 ILE 104 2HG1 ILE 104 -6.863 6.260 -5.323 728 2HG1 ILE 104 3HG1 ILE 104 -8.549 6.692 -5.119 729 1HG2 ILE 104 1HG2 ILE 104 -7.465 8.754 -5.550 730 2HG2 ILE 104 2HG2 ILE 104 -6.455 8.958 -7.001 731 3HG2 ILE 104 3HG2 ILE 104 -8.194 9.330 -7.067 732 1HD1 ILE 104 1HD1 ILE 104 -9.312 4.864 -6.453 733 2HD1 ILE 104 2HD1 ILE 104 -7.698 4.602 -7.156 734 3HD1 ILE 104 3HD1 ILE 104 -8.005 4.183 -5.454 735 H SER 105 HN SER 105 -7.290 6.126 -9.552 736 HA SER 105 HA SER 105 -8.173 3.520 -9.557 737 1HB SER 105 2HB SER 105 -9.321 3.332 -11.718 738 2HB SER 105 3HB SER 105 -10.204 4.421 -10.667 739 HG SER 105 HG SER 105 -9.970 5.259 -12.848 740 H LEU 106 HN LEU 106 -7.424 2.555 -12.026 741 HA LEU 106 HA LEU 106 -4.746 3.713 -12.348 742 1HB LEU 106 2HB LEU 106 -5.146 1.011 -13.365 743 2HB LEU 106 3HB LEU 106 -3.871 1.670 -12.359 744 HG LEU 106 HG LEU 106 -6.598 0.790 -11.370 745 1HD1 LEU 106 1HD1 LEU 106 -3.912 -0.588 -11.388 746 2HD1 LEU 106 2HD1 LEU 106 -5.207 -1.030 -10.250 747 3HD1 LEU 106 3HD1 LEU 106 -5.475 -1.177 -12.003 748 1HD2 LEU 106 1HD2 LEU 106 -5.053 0.882 -9.159 749 2HD2 LEU 106 2HD2 LEU 106 -4.342 2.222 -10.091 750 3HD2 LEU 106 3HD2 LEU 106 -6.081 2.227 -9.710 751 H SER 107 HN SER 107 -7.287 4.657 -13.605 752 HA SER 107 HA SER 107 -6.975 3.739 -16.316 753 1HB SER 107 2HB SER 107 -9.126 4.764 -14.749 754 2HB SER 107 3HB SER 107 -8.841 5.950 -16.007 755 HG SER 107 HG SER 107 -8.921 4.123 -17.567 756 H GLY 108 HN GLY 108 -7.372 5.848 -17.950 757 1HA GLY 108 1HA GLY 108 -4.929 7.344 -17.703 758 2HA GLY 108 2HA GLY 108 -6.102 7.407 -19.004 759 H ASP 109 HN ASP 109 -5.558 8.424 -15.574 760 HA ASP 109 HA ASP 109 -6.239 11.031 -16.053 761 1HB ASP 109 2HB ASP 109 -8.554 9.433 -15.967 762 2HB ASP 109 3HB ASP 109 -8.458 10.093 -14.347 763 H HIS 110 HN HIS 110 -6.942 8.403 -13.619 764 HA HIS 110 HA HIS 110 -5.834 10.073 -11.531 765 1HB HIS 110 2HB HIS 110 -7.543 7.636 -11.666 766 2HB HIS 110 3HB HIS 110 -6.513 7.802 -10.258 767 HD1 HIS 110 HD1 HIS 110 -9.621 9.124 -11.813 768 HD2 HIS 110 HD2 HIS 110 -7.086 10.120 -8.623 769 HE1 HIS 110 HE1 HIS 110 -10.908 10.791 -10.371 770 H SER 111 HN SER 111 -5.355 6.733 -12.887 771 HA SER 111 HA SER 111 -3.663 5.352 -12.682 772 1HB SER 111 2HB SER 111 -1.641 6.099 -13.769 773 2HB SER 111 3HB SER 111 -2.981 6.939 -14.525 774 HG SER 111 HG SER 111 -0.976 7.951 -12.751 775 H ILE 112 HN ILE 112 -3.682 4.832 -10.424 776 HA ILE 112 HA ILE 112 -1.990 6.482 -8.715 777 HB ILE 112 HB ILE 112 -2.978 5.109 -6.897 778 1HG1 ILE 112 2HG1 ILE 112 -4.893 4.049 -8.984 779 2HG1 ILE 112 3HG1 ILE 112 -3.489 3.147 -8.451 780 1HG2 ILE 112 1HG2 ILE 112 -5.160 6.202 -6.949 781 2HG2 ILE 112 2HG2 ILE 112 -3.877 7.306 -7.499 782 3HG2 ILE 112 3HG2 ILE 112 -4.962 6.542 -8.685 783 1HD1 ILE 112 1HD1 ILE 112 -4.865 4.159 -6.113 784 2HD1 ILE 112 2HD1 ILE 112 -6.036 3.333 -7.169 785 3HD1 ILE 112 3HD1 ILE 112 -4.590 2.468 -6.596 786 H ILE 113 HN ILE 113 -1.543 4.072 -10.909 787 HA ILE 113 HA ILE 113 -0.087 2.177 -9.409 788 HB ILE 113 HB ILE 113 -0.005 2.855 -12.351 789 1HG1 ILE 113 2HG1 ILE 113 -2.254 2.224 -11.300 790 2HG1 ILE 113 3HG1 ILE 113 -1.725 1.319 -12.704 791 1HG2 ILE 113 1HG2 ILE 113 1.207 0.642 -10.728 792 2HG2 ILE 113 2HG2 ILE 113 0.681 0.337 -12.400 793 3HG2 ILE 113 3HG2 ILE 113 1.901 1.589 -12.066 794 1HD1 ILE 113 1HD1 ILE 113 -2.418 0.288 -10.143 795 2HD1 ILE 113 2HD1 ILE 113 -1.768 -0.616 -11.532 796 3HD1 ILE 113 3HD1 ILE 113 -0.660 0.060 -10.313 797 H GLY 114 HN GLY 114 1.074 3.825 -8.026 798 1HA GLY 114 1HA GLY 114 3.763 3.943 -8.662 799 2HA GLY 114 2HA GLY 114 3.081 5.471 -9.184 800 H ARG 115 HN ARG 115 1.984 3.435 -6.410 801 HA ARG 115 HA ARG 115 2.222 5.748 -4.749 802 1HB ARG 115 2HB ARG 115 1.272 2.912 -4.094 803 2HB ARG 115 3HB ARG 115 1.102 4.297 -3.034 804 1HG ARG 115 2HG ARG 115 0.041 4.740 -5.778 805 2HG ARG 115 3HG ARG 115 -0.787 3.476 -4.892 806 1HD ARG 115 2HD ARG 115 -1.710 4.951 -3.382 807 2HD ARG 115 3HD ARG 115 -0.257 5.924 -3.284 808 HE ARG 115 HE ARG 115 -2.479 6.272 -5.189 809 1HH1 ARG 115 2HH2 ARG 115 0.847 7.094 -4.387 810 2HH1 ARG 115 1HH2 ARG 115 0.862 8.528 -5.357 811 1HH2 ARG 115 2HH1 ARG 115 -2.460 8.165 -6.470 812 2HH2 ARG 115 1HH1 ARG 115 -1.032 9.142 -6.550 813 H THR 116 HN THR 116 4.289 6.184 -3.995 814 HA THR 116 HA THR 116 6.136 4.031 -3.499 815 HB THR 116 HB THR 116 6.441 6.998 -2.842 816 HG1 THR 116 1HG THR 116 6.663 7.268 -5.072 817 1HG2 THR 116 1HG2 THR 116 8.230 4.912 -2.549 818 2HG2 THR 116 2HG2 THR 116 8.548 5.399 -4.231 819 3HG2 THR 116 3HG2 THR 116 8.716 6.585 -2.915 820 H LEU 117 HN LEU 117 4.878 2.828 -1.912 821 HA LEU 117 HA LEU 117 4.108 3.974 0.518 822 1HB LEU 117 2HB LEU 117 4.700 1.152 -0.353 823 2HB LEU 117 3HB LEU 117 4.186 1.539 1.278 824 HG LEU 117 HG LEU 117 2.330 0.773 -0.130 825 1HD1 LEU 117 1HD1 LEU 117 2.183 3.650 0.798 826 2HD1 LEU 117 2HD1 LEU 117 0.769 2.686 0.306 827 3HD1 LEU 117 3HD1 LEU 117 1.747 2.182 1.705 828 1HD2 LEU 117 1HD2 LEU 117 1.487 2.096 -1.984 829 2HD2 LEU 117 2HD2 LEU 117 2.812 3.267 -1.782 830 3HD2 LEU 117 3HD2 LEU 117 3.168 1.599 -2.291 831 H VAL 118 HN VAL 118 5.728 5.307 1.384 832 HA VAL 118 HA VAL 118 8.050 3.811 2.381 833 HB VAL 118 HB VAL 118 9.457 5.678 1.978 834 1HG1 VAL 118 1HG1 VAL 118 9.744 5.009 -0.128 835 2HG1 VAL 118 2HG1 VAL 118 8.112 4.300 -0.116 836 3HG1 VAL 118 3HG1 VAL 118 8.348 5.981 -0.651 837 1HG2 VAL 118 1HG2 VAL 118 8.226 7.630 0.565 838 2HG2 VAL 118 2HG2 VAL 118 6.893 7.138 1.637 839 3HG2 VAL 118 3HG2 VAL 118 8.441 7.675 2.332 840 H VAL 119 HN VAL 119 6.648 3.429 4.277 841 HA VAL 119 HA VAL 119 5.331 5.242 5.756 842 HB VAL 119 HB VAL 119 6.049 3.861 7.734 843 1HG1 VAL 119 1HG1 VAL 119 5.259 1.646 6.248 844 2HG1 VAL 119 2HG1 VAL 119 4.188 2.824 7.044 845 3HG1 VAL 119 3HG1 VAL 119 4.615 3.027 5.328 846 1HG2 VAL 119 1HG2 VAL 119 8.220 3.214 6.048 847 2HG2 VAL 119 2HG2 VAL 119 7.858 2.558 7.663 848 3HG2 VAL 119 3HG2 VAL 119 7.256 1.726 6.209 849 H HIS 120 HN HIS 120 5.764 6.920 7.181 850 HA HIS 120 HA HIS 120 8.429 7.991 6.975 851 1HB HIS 120 2HB HIS 120 5.836 9.038 8.128 852 2HB HIS 120 3HB HIS 120 7.353 9.904 8.272 853 HD1 HIS 120 HD1 HIS 120 8.171 8.886 5.200 854 HD2 HIS 120 HD2 HIS 120 4.854 11.129 6.449 855 HE1 HIS 120 HE1 HIS 120 7.369 10.178 3.151 856 H GLU 121 HN GLU 121 9.116 9.176 9.237 857 HA GLU 121 HA GLU 121 8.965 7.045 11.225 858 1HB GLU 121 2HB GLU 121 11.224 7.508 9.974 859 2HB GLU 121 3HB GLU 121 11.320 8.940 10.979 860 1HG GLU 121 2HG GLU 121 10.592 6.586 12.575 861 2HG GLU 121 3HG GLU 121 12.082 6.309 11.695 862 H LYS 122 HN LYS 122 6.931 8.546 11.650 863 HA LYS 122 HA LYS 122 7.264 9.790 14.051 864 1HB LYS 122 2HB LYS 122 8.346 11.443 12.035 865 2HB LYS 122 3HB LYS 122 6.808 12.165 12.461 866 1HG LYS 122 2HG LYS 122 7.492 11.927 14.925 867 2HG LYS 122 3HG LYS 122 9.084 11.457 14.366 868 1HD LYS 122 2HD LYS 122 8.213 13.884 12.989 869 2HD LYS 122 3HD LYS 122 8.096 14.101 14.724 870 1HE LYS 122 2HE LYS 122 10.493 13.144 14.875 871 2HE LYS 122 3HE LYS 122 10.566 13.289 13.130 872 1HZ LYS 122 1HZ LYS 122 10.935 15.279 15.010 873 2HZ LYS 122 2HZ LYS 122 11.005 15.414 13.384 874 3HZ LYS 122 3HZ LYS 122 9.595 15.675 14.166 875 H ALA 123 HN ALA 123 5.244 11.203 14.598 876 HA ALA 123 HA ALA 123 2.994 9.736 13.645 877 1HB ALA 123 1HB ALA 123 3.332 10.554 15.998 878 2HB ALA 123 2HB ALA 123 3.109 12.217 15.405 879 3HB ALA 123 3HB ALA 123 1.776 11.044 15.288 880 H ASP 124 HN ASP 124 1.353 12.389 13.942 881 HA ASP 124 HA ASP 124 2.106 13.787 11.579 882 1HB ASP 124 2HB ASP 124 0.406 11.572 11.272 883 2HB ASP 124 3HB ASP 124 -0.711 12.919 11.358 884 H ASP 125 HN ASP 125 2.077 15.645 12.998 885 HA ASP 125 HA ASP 125 0.128 16.148 14.857 886 1HB ASP 125 2HB ASP 125 2.401 17.477 13.739 887 2HB ASP 125 3HB ASP 125 1.076 18.618 13.629 888 H LEU 126 HN LEU 126 0.124 16.353 11.356 889 HA LEU 126 HA LEU 126 -1.339 17.050 9.856 890 1HB LEU 126 2HB LEU 126 -3.091 16.446 12.204 891 2HB LEU 126 3HB LEU 126 -3.796 17.179 10.776 892 HG LEU 126 HG LEU 126 -2.118 14.695 10.517 893 1HD1 LEU 126 1HD1 LEU 126 -4.994 14.841 11.436 894 2HD1 LEU 126 2HD1 LEU 126 -4.283 13.394 10.681 895 3HD1 LEU 126 3HD1 LEU 126 -3.622 14.015 12.213 896 1HD2 LEU 126 1HD2 LEU 126 -2.788 15.969 8.498 897 2HD2 LEU 126 2HD2 LEU 126 -3.442 14.314 8.537 898 3HD2 LEU 126 3HD2 LEU 126 -4.494 15.696 8.925 899 H GLY 127 HN GLY 127 0.053 18.982 11.852 900 1HA GLY 127 1HA GLY 127 -1.456 21.343 10.964 901 2HA GLY 127 2HA GLY 127 -1.085 21.160 12.667 902 H LYS 128 HN LYS 128 0.575 22.523 13.182 903 HA LYS 128 HA LYS 128 2.958 22.359 11.485 904 1HB LYS 128 2HB LYS 128 2.482 24.422 10.746 905 2HB LYS 128 3HB LYS 128 1.269 24.699 11.979 906 1HG LYS 128 2HG LYS 128 2.836 25.524 13.539 907 2HG LYS 128 3HG LYS 128 4.180 24.681 12.796 908 1HD LYS 128 2HD LYS 128 4.661 26.466 11.480 909 2HD LYS 128 3HD LYS 128 3.023 26.514 10.858 910 1HE LYS 128 2HE LYS 128 2.338 28.131 12.372 911 2HE LYS 128 3HE LYS 128 3.368 27.527 13.655 912 1HZ LYS 128 1HZ LYS 128 5.129 28.385 11.826 913 2HZ LYS 128 2HZ LYS 128 3.933 29.486 11.670 914 3HZ LYS 128 3HZ LYS 128 4.637 29.245 13.124 915 H GLY 129 HN GLY 129 3.944 20.921 12.957 916 1HA GLY 129 1HA GLY 129 4.082 21.653 15.761 917 2HA GLY 129 2HA GLY 129 4.746 20.227 14.988 918 H GLY 130 HN GLY 130 5.408 23.227 13.329 919 1HA GLY 130 1HA GLY 130 7.618 24.196 14.713 920 2HA GLY 130 2HA GLY 130 8.206 22.944 13.637 921 H ASN 131 HN ASN 131 9.335 24.381 12.240 922 HA ASN 131 HA ASN 131 7.549 25.783 10.453 923 1HB ASN 131 2HB ASN 131 9.923 27.014 11.926 924 2HB ASN 131 3HB ASN 131 9.350 27.688 10.413 925 1HD2 ASN 131 1HD2 ASN 131 9.087 27.772 13.710 926 2HD2 ASN 131 2HD2 ASN 131 7.565 28.577 13.898 927 H GLU 132 HN GLU 132 8.360 25.741 8.270 928 HA GLU 132 HA GLU 132 9.460 24.882 6.598 929 1HB GLU 132 2HB GLU 132 11.031 26.759 7.582 930 2HB GLU 132 3HB GLU 132 12.074 25.424 8.027 931 1HG GLU 132 2HG GLU 132 11.849 24.635 5.560 932 2HG GLU 132 3HG GLU 132 11.150 26.208 5.233 933 H GLN 133 HN GLN 133 8.873 23.099 9.013 934 HA GLN 133 HA GLN 133 10.711 20.993 8.206 935 1HB GLN 133 2HB GLN 133 11.264 22.011 10.504 936 2HB GLN 133 3HB GLN 133 9.747 21.343 11.072 937 1HG GLN 133 2HG GLN 133 11.006 19.491 11.551 938 2HG GLN 133 3HG GLN 133 10.802 19.127 9.849 939 1HE2 GLN 133 1HE2 GLN 133 12.692 18.125 9.484 940 2HE2 GLN 133 2HE2 GLN 133 14.254 18.870 9.574 941 H SER 134 HN SER 134 7.883 21.339 10.471 942 HA SER 134 HA SER 134 6.766 18.970 9.319 943 1HB SER 134 2HB SER 134 5.259 20.640 11.315 944 2HB SER 134 3HB SER 134 5.384 18.896 11.197 945 HG SER 134 HG SER 134 7.250 20.768 12.319 946 H THR 135 HN THR 135 6.555 22.432 8.938 947 HA THR 135 HA THR 135 3.864 22.514 7.982 948 HB THR 135 HB THR 135 4.640 24.849 7.292 949 HG1 THR 135 1HG THR 135 6.843 24.993 7.163 950 1HG2 THR 135 1HG2 THR 135 3.989 25.174 9.486 951 2HG2 THR 135 2HG2 THR 135 4.834 23.711 10.046 952 3HG2 THR 135 3HG2 THR 135 5.739 25.224 9.802 953 H LYS 136 HN LYS 136 6.570 21.010 6.739 954 HA LYS 136 HA LYS 136 5.643 21.509 3.995 955 1HB LYS 136 2HB LYS 136 7.978 20.748 3.355 956 2HB LYS 136 3HB LYS 136 7.846 22.325 4.108 957 1HG LYS 136 2HG LYS 136 8.552 21.425 6.276 958 2HG LYS 136 3HG LYS 136 8.487 19.782 5.670 959 1HD LYS 136 2HD LYS 136 10.177 21.233 3.872 960 2HD LYS 136 3HD LYS 136 10.662 21.704 5.488 961 1HE LYS 136 2HE LYS 136 10.421 19.012 5.875 962 2HE LYS 136 3HE LYS 136 10.811 19.015 4.167 963 1HZ LYS 136 1HZ LYS 136 12.820 20.029 4.570 964 2HZ LYS 136 2HZ LYS 136 12.390 20.609 6.034 965 3HZ LYS 136 3HZ LYS 136 12.695 19.016 5.844 966 H THR 137 HN THR 137 6.718 19.101 6.440 967 HA THR 137 HA THR 137 5.768 16.971 4.659 968 HB THR 137 HB THR 137 8.129 17.088 5.859 969 HG1 THR 137 1HG THR 137 7.356 15.188 4.794 970 1HG2 THR 137 1HG2 THR 137 6.264 16.058 8.061 971 2HG2 THR 137 2HG2 THR 137 8.028 15.821 8.047 972 3HG2 THR 137 3HG2 THR 137 7.351 17.462 8.177 973 H GLY 138 HN GLY 138 5.412 18.244 8.025 974 1HA GLY 138 1HA GLY 138 3.091 18.456 8.766 975 2HA GLY 138 2HA GLY 138 2.795 16.863 8.098 976 H ASN 139 HN ASN 139 5.958 17.286 9.513 977 HA ASN 139 HA ASN 139 6.819 16.782 11.466 978 1HB ASN 139 2HB ASN 139 4.511 17.616 12.446 979 2HB ASN 139 3HB ASN 139 4.124 15.913 12.596 980 1HD2 ASN 139 1HD2 ASN 139 5.936 18.572 13.794 981 2HD2 ASN 139 2HD2 ASN 139 6.688 17.802 15.151 982 H ALA 140 HN ALA 140 7.037 14.980 9.482 983 HA ALA 140 HA ALA 140 7.467 12.557 10.626 984 1HB ALA 140 1HB ALA 140 5.485 11.530 10.866 985 2HB ALA 140 2HB ALA 140 4.650 12.980 10.257 986 3HB ALA 140 3HB ALA 140 5.183 11.716 9.122 987 H GLY 141 HN GLY 141 8.833 14.160 8.879 988 1HA GLY 141 1HA GLY 141 8.450 12.958 6.216 989 2HA GLY 141 2HA GLY 141 9.305 14.445 6.576 990 H SER 142 HN SER 142 9.394 10.886 7.278 991 HA SER 142 HA SER 142 12.253 11.029 6.868 992 1HB SER 142 2HB SER 142 10.909 10.428 9.431 993 2HB SER 142 3HB SER 142 12.039 9.180 8.947 994 HG SER 142 HG SER 142 12.928 11.022 10.251 995 H ARG 143 HN ARG 143 11.672 10.003 4.809 996 HA ARG 143 HA ARG 143 10.098 7.817 4.546 997 1HB ARG 143 2HB ARG 143 12.681 8.388 3.006 998 2HB ARG 143 3HB ARG 143 11.367 7.375 2.444 999 1HG ARG 143 2HG ARG 143 10.079 9.166 1.827 1000 2HG ARG 143 3HG ARG 143 10.466 10.070 3.277 1001 1HD ARG 143 2HD ARG 143 11.363 11.211 1.261 1002 2HD ARG 143 3HD ARG 143 12.665 10.719 2.326 1003 HE ARG 143 HE ARG 143 11.943 9.429 -0.263 1004 1HH1 ARG 143 2HH2 ARG 143 14.093 9.633 2.514 1005 2HH1 ARG 143 1HH2 ARG 143 15.340 8.681 1.780 1006 1HH2 ARG 143 2HH1 ARG 143 13.587 8.173 -1.232 1007 2HH2 ARG 143 1HH1 ARG 143 15.050 7.845 -0.365 1008 H LEU 144 HN LEU 144 10.461 5.514 4.556 1009 HA LEU 144 HA LEU 144 13.041 4.683 5.673 1010 1HB LEU 144 2HB LEU 144 10.298 3.843 6.618 1011 2HB LEU 144 3HB LEU 144 11.791 3.047 7.075 1012 HG LEU 144 HG LEU 144 11.474 5.995 7.569 1013 1HD1 LEU 144 1HD1 LEU 144 9.609 5.573 8.753 1014 2HD1 LEU 144 2HD1 LEU 144 9.940 3.827 8.863 1015 3HD1 LEU 144 3HD1 LEU 144 10.753 4.959 9.971 1016 1HD2 LEU 144 1HD2 LEU 144 13.663 5.207 7.968 1017 2HD2 LEU 144 2HD2 LEU 144 12.900 5.359 9.569 1018 3HD2 LEU 144 3HD2 LEU 144 13.075 3.756 8.815 1019 H ALA 145 HN ALA 145 9.907 3.248 4.509 1020 HA ALA 145 HA ALA 145 11.440 1.257 3.067 1021 1HB ALA 145 1HB ALA 145 9.092 1.180 4.471 1022 2HB ALA 145 2HB ALA 145 8.485 1.364 2.808 1023 3HB ALA 145 3HB ALA 145 9.550 -0.001 3.221 1024 H CYS 146 HN CYS 146 10.424 0.728 0.754 1025 HA CYS 146 HA CYS 146 9.600 3.079 -0.661 1026 1HB CYS 146 2HB CYS 146 12.363 1.938 -1.022 1027 2HB CYS 146 3HB CYS 146 11.537 2.756 -2.334 1028 H GLY 147 HN GLY 147 7.846 1.281 -0.590 1029 1HA GLY 147 1HA GLY 147 8.397 -0.815 -2.594 1030 2HA GLY 147 2HA GLY 147 7.182 -0.887 -1.333 1031 H VAL 148 HN VAL 148 8.123 0.818 -4.366 1032 HA VAL 148 HA VAL 148 5.654 2.184 -4.616 1033 HB VAL 148 HB VAL 148 8.058 1.657 -6.311 1034 1HG1 VAL 148 1HG1 VAL 148 5.450 2.820 -7.344 1035 2HG1 VAL 148 2HG1 VAL 148 7.015 2.911 -8.187 1036 3HG1 VAL 148 3HG1 VAL 148 6.250 1.330 -7.897 1037 1HG2 VAL 148 1HG2 VAL 148 6.630 4.215 -5.511 1038 2HG2 VAL 148 2HG2 VAL 148 8.021 3.503 -4.659 1039 3HG2 VAL 148 3HG2 VAL 148 8.204 4.086 -6.331 1040 H ILE 149 HN ILE 149 4.069 1.799 -6.411 1041 HA ILE 149 HA ILE 149 3.268 -0.939 -6.345 1042 HB ILE 149 HB ILE 149 2.118 1.416 -7.847 1043 1HG1 ILE 149 2HG1 ILE 149 2.274 1.810 -5.411 1044 2HG1 ILE 149 3HG1 ILE 149 0.622 1.724 -5.987 1045 1HG2 ILE 149 1HG2 ILE 149 0.786 -0.084 -8.799 1046 2HG2 ILE 149 2HG2 ILE 149 1.444 -1.401 -7.798 1047 3HG2 ILE 149 3HG2 ILE 149 0.101 -0.404 -7.187 1048 1HD1 ILE 149 1HD1 ILE 149 0.608 0.389 -4.025 1049 2HD1 ILE 149 2HD1 ILE 149 0.722 -0.804 -5.342 1050 3HD1 ILE 149 3HD1 ILE 149 2.176 -0.358 -4.416 1051 H GLY 150 HN GLY 150 3.067 -2.392 -8.128 1052 1HA GLY 150 1HA GLY 150 4.230 -1.631 -10.675 1053 2HA GLY 150 2HA GLY 150 5.172 -2.775 -9.740 1054 H ILE 151 HN ILE 151 2.371 -2.303 -11.769 1055 HA ILE 151 HA ILE 151 0.650 -4.256 -11.215 1056 HB ILE 151 HB ILE 151 1.761 -3.222 -13.786 1057 1HG1 ILE 151 2HG1 ILE 151 0.210 -1.843 -12.484 1058 2HG1 ILE 151 3HG1 ILE 151 -0.472 -2.301 -14.031 1059 1HG2 ILE 151 1HG2 ILE 151 1.370 -5.357 -14.582 1060 2HG2 ILE 151 2HG2 ILE 151 0.012 -5.643 -13.467 1061 3HG2 ILE 151 3HG2 ILE 151 -0.196 -4.559 -14.864 1062 1HD1 ILE 151 1HD1 ILE 151 -2.275 -2.789 -12.648 1063 2HD1 ILE 151 2HD1 ILE 151 -1.445 -4.363 -12.616 1064 3HD1 ILE 151 3HD1 ILE 151 -1.236 -3.218 -11.268 1065 H ALA 152 HN ALA 152 0.429 -6.508 -11.452 1066 HA ALA 152 HA ALA 152 2.856 -7.936 -12.249 1067 1HB ALA 152 1HB ALA 152 2.497 -9.450 -10.268 1068 2HB ALA 152 2HB ALA 152 2.988 -7.796 -9.834 1069 3HB ALA 152 3HB ALA 152 1.287 -8.292 -9.665 1070 H GLN 153 HN GLN 153 2.237 -10.438 -12.329 1071 HA GLN 153 HA GLN 153 0.424 -10.724 -14.322 1072 1HB GLN 153 2HB GLN 153 2.237 -12.355 -13.347 1073 2HB GLN 153 3HB GLN 153 0.938 -12.957 -12.336 1074 1HG GLN 153 2HG GLN 153 -0.445 -13.306 -14.455 1075 2HG GLN 153 3HG GLN 153 0.977 -12.882 -15.388 1076 1HE2 GLN 153 1HE2 GLN 153 -0.209 -15.062 -12.861 1077 2HE2 GLN 153 2HE2 GLN 153 0.782 -16.427 -13.253 Start of MODEL 14 1 1H ALA 1 HN ALA 1 -6.398 -8.329 -12.943 2 HA ALA 1 HA ALA 1 -7.110 -7.813 -15.488 3 1HB ALA 1 1HB ALA 1 -9.375 -7.296 -14.064 4 2HB ALA 1 2HB ALA 1 -8.604 -5.691 -14.033 5 3HB ALA 1 3HB ALA 1 -8.957 -6.479 -15.590 6 H THR 2 HN THR 2 -7.133 -5.494 -12.691 7 HA THR 2 HA THR 2 -4.444 -4.654 -13.543 8 HB THR 2 HB THR 2 -6.670 -2.792 -12.584 9 HG1 THR 2 1HG THR 2 -7.417 -3.387 -14.603 10 1HG2 THR 2 1HG2 THR 2 -4.359 -1.852 -12.500 11 2HG2 THR 2 2HG2 THR 2 -4.090 -2.366 -14.183 12 3HG2 THR 2 3HG2 THR 2 -5.290 -1.103 -13.819 13 H LYS 3 HN LYS 3 -3.630 -6.121 -11.915 14 HA LYS 3 HA LYS 3 -4.165 -5.145 -9.198 15 1HB LYS 3 2HB LYS 3 -4.810 -7.464 -9.506 16 2HB LYS 3 3HB LYS 3 -3.242 -7.861 -10.177 17 1HG LYS 3 2HG LYS 3 -2.679 -6.591 -7.699 18 2HG LYS 3 3HG LYS 3 -4.045 -7.638 -7.371 19 1HD LYS 3 2HD LYS 3 -1.650 -8.674 -8.928 20 2HD LYS 3 3HD LYS 3 -1.617 -8.625 -7.176 21 1HE LYS 3 2HE LYS 3 -3.679 -10.019 -7.079 22 2HE LYS 3 3HE LYS 3 -3.770 -10.032 -8.829 23 1HZ LYS 3 1HZ LYS 3 -2.593 -11.894 -8.547 24 2HZ LYS 3 2HZ LYS 3 -1.307 -10.891 -8.462 25 3HZ LYS 3 3HZ LYS 3 -1.985 -11.466 -7.093 26 H ALA 4 HN ALA 4 -2.441 -4.529 -7.869 27 HA ALA 4 HA ALA 4 0.190 -4.540 -9.174 28 1HB ALA 4 1HB ALA 4 -1.336 -2.301 -8.983 29 2HB ALA 4 2HB ALA 4 -0.511 -2.246 -7.407 30 3HB ALA 4 3HB ALA 4 0.443 -2.284 -8.909 31 H VAL 5 HN VAL 5 1.999 -4.256 -7.540 32 HA VAL 5 HA VAL 5 1.262 -4.991 -4.835 33 HB VAL 5 HB VAL 5 3.387 -6.715 -5.550 34 1HG1 VAL 5 1HG1 VAL 5 1.625 -6.959 -3.761 35 2HG1 VAL 5 2HG1 VAL 5 0.493 -7.462 -5.039 36 3HG1 VAL 5 3HG1 VAL 5 1.948 -8.431 -4.707 37 1HG2 VAL 5 1HG2 VAL 5 1.051 -6.853 -7.482 38 2HG2 VAL 5 2HG2 VAL 5 2.771 -6.611 -7.872 39 3HG2 VAL 5 3HG2 VAL 5 2.217 -8.174 -7.224 40 H ALA 6 HN ALA 6 2.958 -4.537 -3.303 41 HA ALA 6 HA ALA 6 5.350 -3.294 -4.402 42 1HB ALA 6 1HB ALA 6 4.512 -1.589 -2.311 43 2HB ALA 6 2HB ALA 6 4.572 -1.214 -4.050 44 3HB ALA 6 3HB ALA 6 3.073 -1.845 -3.326 45 H VAL 7 HN VAL 7 6.771 -4.766 -3.530 46 HA VAL 7 HA VAL 7 6.334 -5.724 -0.846 47 HB VAL 7 HB VAL 7 7.120 -7.144 -2.730 48 1HG1 VAL 7 1HG1 VAL 7 9.905 -6.138 -2.458 49 2HG1 VAL 7 2HG1 VAL 7 9.059 -6.818 -3.869 50 3HG1 VAL 7 3HG1 VAL 7 8.783 -5.125 -3.397 51 1HG2 VAL 7 1HG2 VAL 7 9.409 -7.435 -0.952 52 2HG2 VAL 7 2HG2 VAL 7 7.901 -7.151 -0.050 53 3HG2 VAL 7 3HG2 VAL 7 8.010 -8.507 -1.197 54 H LEU 8 HN LEU 8 6.510 -3.876 0.490 55 HA LEU 8 HA LEU 8 8.244 -1.843 0.374 56 1HB LEU 8 2HB LEU 8 7.051 -3.369 2.647 57 2HB LEU 8 3HB LEU 8 8.244 -2.134 2.997 58 HG LEU 8 HG LEU 8 5.925 -1.318 3.175 59 1HD1 LEU 8 1HD1 LEU 8 6.257 0.633 1.441 60 2HD1 LEU 8 2HD1 LEU 8 7.342 0.454 2.841 61 3HD1 LEU 8 3HD1 LEU 8 7.860 -0.113 1.235 62 1HD2 LEU 8 1HD2 LEU 8 4.654 -0.914 1.037 63 2HD2 LEU 8 2HD2 LEU 8 5.798 -2.018 0.235 64 3HD2 LEU 8 3HD2 LEU 8 4.764 -2.613 1.557 65 H LYS 9 HN LYS 9 10.400 -1.383 0.850 66 HA LYS 9 HA LYS 9 12.116 -3.113 2.181 67 1HB LYS 9 2HB LYS 9 11.498 -4.193 -0.281 68 2HB LYS 9 3HB LYS 9 12.978 -3.321 -0.623 69 1HG LYS 9 2HG LYS 9 14.247 -4.581 0.916 70 2HG LYS 9 3HG LYS 9 12.848 -5.015 1.878 71 1HD LYS 9 2HD LYS 9 12.065 -6.299 -0.302 72 2HD LYS 9 3HD LYS 9 13.748 -6.178 -0.774 73 1HE LYS 9 2HE LYS 9 13.473 -7.062 2.021 74 2HE LYS 9 3HE LYS 9 12.621 -8.128 0.923 75 1HZ LYS 9 1HZ LYS 9 14.650 -8.269 -0.386 76 2HZ LYS 9 2HZ LYS 9 15.438 -7.326 0.690 77 3HZ LYS 9 3HZ LYS 9 14.887 -8.795 1.142 78 H GLY 10 HN GLY 10 13.620 -1.743 2.963 79 1HA GLY 10 1HA GLY 10 15.029 0.076 1.286 80 2HA GLY 10 2HA GLY 10 13.820 0.913 2.240 81 H ASP 11 HN ASP 11 13.885 0.732 4.627 82 HA ASP 11 HA ASP 11 16.332 1.201 5.650 83 1HB ASP 11 2HB ASP 11 14.176 1.656 6.806 84 2HB ASP 11 3HB ASP 11 13.925 -0.062 7.045 85 H GLY 12 HN GLY 12 14.387 -1.878 5.909 86 1HA GLY 12 1HA GLY 12 16.081 -3.786 5.254 87 2HA GLY 12 2HA GLY 12 16.758 -3.331 6.805 88 HA PRO 13 HA PRO 13 13.533 -5.376 8.900 89 1HB PRO 13 2HB PRO 13 12.511 -3.660 10.766 90 2HB PRO 13 3HB PRO 13 14.037 -4.498 10.969 91 1HG PRO 13 2HG PRO 13 13.557 -1.659 10.301 92 2HG PRO 13 3HG PRO 13 15.015 -2.410 10.917 93 1HD PRO 13 2HD PRO 13 14.519 -1.585 8.215 94 2HD PRO 13 3HD PRO 13 15.929 -2.440 8.808 95 H VAL 14 HN VAL 14 12.540 -2.432 7.430 96 HA VAL 14 HA VAL 14 9.753 -3.114 7.640 97 HB VAL 14 HB VAL 14 11.395 -0.886 6.515 98 1HG1 VAL 14 1HG1 VAL 14 9.861 -1.379 4.686 99 2HG1 VAL 14 2HG1 VAL 14 8.482 -1.383 5.812 100 3HG1 VAL 14 3HG1 VAL 14 9.375 0.126 5.504 101 1HG2 VAL 14 1HG2 VAL 14 10.071 0.481 7.963 102 2HG2 VAL 14 2HG2 VAL 14 8.899 -0.832 8.236 103 3HG2 VAL 14 3HG2 VAL 14 10.549 -0.960 8.893 104 H GLN 15 HN GLN 15 9.110 -4.905 6.520 105 HA GLN 15 HA GLN 15 9.849 -4.916 3.703 106 1HB GLN 15 2HB GLN 15 10.846 -6.747 5.490 107 2HB GLN 15 3HB GLN 15 9.387 -7.572 4.980 108 1HG GLN 15 2HG GLN 15 11.208 -6.339 2.893 109 2HG GLN 15 3HG GLN 15 11.635 -7.882 3.606 110 1HE2 GLN 15 1HE2 GLN 15 9.445 -9.266 3.917 111 2HE2 GLN 15 2HE2 GLN 15 8.570 -9.521 2.444 112 H GLY 16 HN GLY 16 7.522 -3.694 4.787 113 1HA GLY 16 1HA GLY 16 5.258 -5.224 5.066 114 2HA GLY 16 2HA GLY 16 5.311 -3.609 4.389 115 H ILE 17 HN ILE 17 3.394 -5.383 3.446 116 HA ILE 17 HA ILE 17 4.306 -5.711 0.704 117 HB ILE 17 HB ILE 17 3.162 -7.919 2.406 118 1HG1 ILE 17 2HG1 ILE 17 5.596 -8.008 0.624 119 2HG1 ILE 17 3HG1 ILE 17 5.691 -7.419 2.272 120 1HG2 ILE 17 1HG2 ILE 17 3.578 -8.922 -0.166 121 2HG2 ILE 17 2HG2 ILE 17 2.018 -8.635 0.641 122 3HG2 ILE 17 3HG2 ILE 17 2.721 -7.381 -0.409 123 1HD1 ILE 17 1HD1 ILE 17 5.474 -10.172 1.304 124 2HD1 ILE 17 2HD1 ILE 17 5.906 -9.579 2.926 125 3HD1 ILE 17 3HD1 ILE 17 4.196 -9.800 2.486 126 H ILE 18 HN ILE 18 2.990 -4.271 -0.296 127 HA ILE 18 HA ILE 18 0.159 -4.347 0.486 128 HB ILE 18 HB ILE 18 0.656 -2.223 1.027 129 1HG1 ILE 18 2HG1 ILE 18 0.055 -0.663 -0.741 130 2HG1 ILE 18 3HG1 ILE 18 0.403 -1.860 -1.972 131 1HG2 ILE 18 1HG2 ILE 18 2.449 -0.862 0.052 132 2HG2 ILE 18 2HG2 ILE 18 3.054 -2.426 0.649 133 3HG2 ILE 18 3HG2 ILE 18 2.818 -2.170 -1.097 134 1HD1 ILE 18 1HD1 ILE 18 -2.050 -1.464 -0.549 135 2HD1 ILE 18 2HD1 ILE 18 -1.688 -2.698 -1.780 136 3HD1 ILE 18 3HD1 ILE 18 -1.405 -3.049 -0.058 137 H ASN 19 HN ASN 19 -1.369 -4.737 -1.087 138 HA ASN 19 HA ASN 19 -0.314 -4.951 -3.794 139 1HB ASN 19 2HB ASN 19 -2.557 -6.781 -2.987 140 2HB ASN 19 3HB ASN 19 -1.230 -7.081 -4.091 141 1HD2 ASN 19 1HD2 ASN 19 -2.224 -8.760 -1.982 142 2HD2 ASN 19 2HD2 ASN 19 -0.934 -9.044 -0.861 143 H PHE 20 HN PHE 20 -1.867 -4.334 -5.460 144 HA PHE 20 HA PHE 20 -4.260 -3.029 -4.373 145 1HB PHE 20 2HB PHE 20 -2.229 -2.478 -6.561 146 2HB PHE 20 3HB PHE 20 -3.870 -1.941 -6.859 147 HD1 PHE 20 1HD PHE 20 -3.447 0.396 -6.841 148 HD2 PHE 20 2HD PHE 20 -2.281 -1.984 -3.526 149 HE1 PHE 20 1HE PHE 20 -3.010 2.474 -5.502 150 HE2 PHE 20 2HE PHE 20 -1.845 0.094 -2.188 151 HZ PHE 20 HZ PHE 20 -2.214 2.298 -3.192 152 H GLU 21 HN GLU 21 -6.252 -3.679 -5.094 153 HA GLU 21 HA GLU 21 -6.205 -5.588 -7.299 154 1HB GLU 21 2HB GLU 21 -6.892 -6.570 -5.124 155 2HB GLU 21 3HB GLU 21 -8.166 -5.376 -4.972 156 1HG GLU 21 2HG GLU 21 -9.556 -6.667 -6.210 157 2HG GLU 21 3HG GLU 21 -8.447 -6.592 -7.566 158 H GLN 22 HN GLN 22 -7.336 -5.071 -9.140 159 HA GLN 22 HA GLN 22 -9.582 -3.322 -8.940 160 1HB GLN 22 2HB GLN 22 -7.713 -1.696 -9.055 161 2HB GLN 22 3HB GLN 22 -7.115 -2.461 -10.514 162 1HG GLN 22 2HG GLN 22 -8.371 -0.731 -11.445 163 2HG GLN 22 3HG GLN 22 -9.572 -2.007 -11.426 164 1HE2 GLN 22 1HE2 GLN 22 -9.743 0.959 -11.279 165 2HE2 GLN 22 2HE2 GLN 22 -10.702 1.325 -9.884 166 H LYS 23 HN LYS 23 -10.033 -5.773 -9.593 167 HA LYS 23 HA LYS 23 -9.453 -6.366 -12.338 168 1HB LYS 23 2HB LYS 23 -11.109 -7.764 -10.221 169 2HB LYS 23 3HB LYS 23 -10.901 -8.374 -11.850 170 1HG LYS 23 2HG LYS 23 -8.420 -8.396 -11.529 171 2HG LYS 23 3HG LYS 23 -8.623 -7.776 -9.902 172 1HD LYS 23 2HD LYS 23 -9.913 -10.375 -10.845 173 2HD LYS 23 3HD LYS 23 -8.322 -10.322 -10.112 174 1HE LYS 23 2HE LYS 23 -9.178 -10.060 -8.011 175 2HE LYS 23 3HE LYS 23 -10.293 -8.811 -8.528 176 1HZ LYS 23 1HZ LYS 23 -11.053 -11.222 -7.807 177 2HZ LYS 23 2HZ LYS 23 -11.908 -10.302 -8.851 178 3HZ LYS 23 3HZ LYS 23 -10.919 -11.473 -9.416 179 H GLU 24 HN GLU 24 -10.468 -4.044 -12.773 180 HA GLU 24 HA GLU 24 -13.015 -4.633 -13.913 181 1HB GLU 24 2HB GLU 24 -13.193 -3.631 -11.401 182 2HB GLU 24 3HB GLU 24 -13.038 -2.120 -12.275 183 1HG GLU 24 2HG GLU 24 -15.177 -2.250 -13.023 184 2HG GLU 24 3HG GLU 24 -14.907 -3.852 -13.680 185 H SER 25 HN SER 25 -10.485 -2.180 -13.122 186 HA SER 25 HA SER 25 -9.288 -0.967 -14.521 187 1HB SER 25 2HB SER 25 -10.076 -2.694 -16.348 188 2HB SER 25 3HB SER 25 -11.187 -1.430 -16.838 189 HG SER 25 HG SER 25 -8.830 -1.611 -17.774 190 H ASN 26 HN ASN 26 -12.450 -0.652 -13.532 191 HA ASN 26 HA ASN 26 -12.325 2.163 -13.775 192 1HB ASN 26 2HB ASN 26 -14.525 2.415 -14.965 193 2HB ASN 26 3HB ASN 26 -13.311 1.677 -15.990 194 1HD2 ASN 26 1HD2 ASN 26 -13.187 -0.793 -15.745 195 2HD2 ASN 26 2HD2 ASN 26 -14.690 -1.651 -15.803 196 H GLY 27 HN GLY 27 -12.473 -0.037 -11.744 197 1HA GLY 27 1HA GLY 27 -15.053 0.669 -10.477 198 2HA GLY 27 2HA GLY 27 -14.366 -0.941 -10.415 199 HA PRO 28 HA PRO 28 -12.794 1.247 -6.774 200 1HB PRO 28 2HB PRO 28 -13.530 -0.601 -4.900 201 2HB PRO 28 3HB PRO 28 -14.515 0.787 -5.316 202 1HG PRO 28 2HG PRO 28 -14.897 -2.047 -6.064 203 2HG PRO 28 3HG PRO 28 -16.060 -0.737 -6.099 204 1HD PRO 28 2HD PRO 28 -14.690 -1.875 -8.347 205 2HD PRO 28 3HD PRO 28 -15.764 -0.490 -8.365 206 H VAL 29 HN VAL 29 -10.721 1.203 -6.125 207 HA VAL 29 HA VAL 29 -9.325 -1.236 -6.871 208 HB VAL 29 HB VAL 29 -8.260 1.431 -5.923 209 1HG1 VAL 29 1HG1 VAL 29 -6.648 -0.324 -7.685 210 2HG1 VAL 29 2HG1 VAL 29 -6.163 0.657 -6.281 211 3HG1 VAL 29 3HG1 VAL 29 -6.922 -0.934 -6.035 212 1HG2 VAL 29 1HG2 VAL 29 -8.317 2.262 -8.039 213 2HG2 VAL 29 2HG2 VAL 29 -8.093 0.665 -8.793 214 3HG2 VAL 29 3HG2 VAL 29 -9.696 1.147 -8.188 215 H LYS 30 HN LYS 30 -10.035 -2.673 -5.213 216 HA LYS 30 HA LYS 30 -10.005 -2.011 -2.502 217 1HB LYS 30 2HB LYS 30 -9.793 -4.694 -3.899 218 2HB LYS 30 3HB LYS 30 -10.054 -4.490 -2.179 219 1HG LYS 30 2HG LYS 30 -12.128 -3.144 -2.683 220 2HG LYS 30 3HG LYS 30 -11.878 -3.435 -4.392 221 1HD LYS 30 2HD LYS 30 -11.780 -6.003 -3.575 222 2HD LYS 30 3HD LYS 30 -12.719 -5.370 -2.238 223 1HE LYS 30 2HE LYS 30 -14.186 -4.236 -4.125 224 2HE LYS 30 3HE LYS 30 -13.429 -5.405 -5.188 225 1HZ LYS 30 1HZ LYS 30 -14.288 -6.672 -2.845 226 2HZ LYS 30 2HZ LYS 30 -15.533 -5.834 -3.488 227 3HZ LYS 30 3HZ LYS 30 -14.751 -6.951 -4.386 228 H VAL 31 HN VAL 31 -8.081 -0.848 -2.027 229 HA VAL 31 HA VAL 31 -5.574 -2.248 -2.444 230 HB VAL 31 HB VAL 31 -6.308 0.498 -1.423 231 1HG1 VAL 31 1HG1 VAL 31 -4.341 -0.002 -0.227 232 2HG1 VAL 31 2HG1 VAL 31 -3.617 -0.868 -1.603 233 3HG1 VAL 31 3HG1 VAL 31 -3.783 0.904 -1.654 234 1HG2 VAL 31 1HG2 VAL 31 -6.566 0.668 -3.694 235 2HG2 VAL 31 2HG2 VAL 31 -4.819 0.986 -3.575 236 3HG2 VAL 31 3HG2 VAL 31 -5.399 -0.631 -4.039 237 H TRP 32 HN TRP 32 -4.310 -3.137 -0.812 238 HA TRP 32 HA TRP 32 -4.842 -2.658 1.925 239 1HB TRP 32 2HB TRP 32 -5.810 -4.674 2.622 240 2HB TRP 32 3HB TRP 32 -6.809 -4.085 1.307 241 HD1 TRP 32 HD1 TRP 32 -4.276 -6.904 2.071 242 HE1 TRP 32 HE1 TRP 32 -4.494 -8.875 0.330 243 HE3 TRP 32 HE3 TRP 32 -7.559 -4.528 -0.999 244 HZ2 TRP 32 HZ2 TRP 32 -5.982 -9.211 -2.082 245 HZ3 TRP 32 HZ3 TRP 32 -8.345 -5.748 -3.026 246 HH2 TRP 32 HH2 TRP 32 -7.610 -8.010 -3.588 247 H GLY 33 HN GLY 33 -3.067 -3.418 3.160 248 1HA GLY 33 1HA GLY 33 -1.188 -5.262 1.905 249 2HA GLY 33 2HA GLY 33 -0.620 -3.626 2.173 250 H SER 34 HN SER 34 0.961 -4.954 3.585 251 HA SER 34 HA SER 34 0.049 -4.673 6.267 252 1HB SER 34 2HB SER 34 0.575 -7.389 5.054 253 2HB SER 34 3HB SER 34 1.011 -7.115 6.729 254 HG SER 34 HG SER 34 -1.045 -7.355 7.241 255 H ILE 35 HN ILE 35 1.745 -3.737 7.352 256 HA ILE 35 HA ILE 35 4.341 -3.794 6.094 257 HB ILE 35 HB ILE 35 2.859 -2.056 7.853 258 1HG1 ILE 35 2HG1 ILE 35 5.494 -1.376 6.590 259 2HG1 ILE 35 3HG1 ILE 35 4.125 -1.737 5.557 260 1HG2 ILE 35 1HG2 ILE 35 4.293 -3.062 9.600 261 2HG2 ILE 35 2HG2 ILE 35 5.730 -2.568 8.673 262 3HG2 ILE 35 3HG2 ILE 35 4.629 -1.334 9.331 263 1HD1 ILE 35 1HD1 ILE 35 4.557 0.747 6.390 264 2HD1 ILE 35 2HD1 ILE 35 2.895 0.118 6.286 265 3HD1 ILE 35 3HD1 ILE 35 3.727 0.179 7.858 266 H LYS 36 HN LYS 36 6.317 -4.090 7.602 267 HA LYS 36 HA LYS 36 5.891 -5.884 9.799 268 1HB LYS 36 2HB LYS 36 7.154 -6.908 7.239 269 2HB LYS 36 3HB LYS 36 7.271 -7.714 8.790 270 1HG LYS 36 2HG LYS 36 4.664 -7.606 8.845 271 2HG LYS 36 3HG LYS 36 4.764 -7.194 7.144 272 1HD LYS 36 2HD LYS 36 5.911 -9.288 6.625 273 2HD LYS 36 3HD LYS 36 6.104 -9.668 8.325 274 1HE LYS 36 2HE LYS 36 3.297 -9.192 7.853 275 2HE LYS 36 3HE LYS 36 3.869 -10.275 6.599 276 1HZ LYS 36 1HZ LYS 36 5.025 -11.315 8.737 277 2HZ LYS 36 2HZ LYS 36 3.669 -10.720 9.424 278 3HZ LYS 36 3HZ LYS 36 3.559 -11.784 8.191 279 H GLY 37 HN GLY 37 7.233 -5.051 11.297 280 1HA GLY 37 1HA GLY 37 9.699 -4.987 11.739 281 2HA GLY 37 2HA GLY 37 9.799 -3.928 10.347 282 H LEU 38 HN LEU 38 7.403 -2.382 10.709 283 HA LEU 38 HA LEU 38 8.316 -0.388 12.371 284 1HB LEU 38 2HB LEU 38 5.716 -1.058 11.075 285 2HB LEU 38 3HB LEU 38 5.731 0.203 12.292 286 HG LEU 38 HG LEU 38 7.884 0.853 10.642 287 1HD1 LEU 38 1HD1 LEU 38 5.587 0.336 8.776 288 2HD1 LEU 38 2HD1 LEU 38 7.306 0.628 8.415 289 3HD1 LEU 38 3HD1 LEU 38 6.792 -0.934 9.096 290 1HD2 LEU 38 1HD2 LEU 38 5.573 2.035 11.647 291 2HD2 LEU 38 2HD2 LEU 38 6.874 2.832 10.730 292 3HD2 LEU 38 3HD2 LEU 38 5.434 2.219 9.882 293 H THR 39 HN THR 39 6.266 0.396 14.099 294 HA THR 39 HA THR 39 5.889 -1.837 15.939 295 HB THR 39 HB THR 39 6.781 -0.153 17.761 296 HG1 THR 39 1HG THR 39 7.627 1.651 16.800 297 1HG2 THR 39 1HG2 THR 39 8.024 -2.264 16.697 298 2HG2 THR 39 2HG2 THR 39 8.981 -1.017 15.861 299 3HG2 THR 39 3HG2 THR 39 8.954 -1.074 17.640 300 H GLU 40 HN GLU 40 4.156 -1.579 17.395 301 HA GLU 40 HA GLU 40 1.965 -0.410 16.436 302 1HB GLU 40 2HB GLU 40 2.157 -1.979 18.420 303 2HB GLU 40 3HB GLU 40 2.608 -0.605 19.410 304 1HG GLU 40 2HG GLU 40 0.235 0.128 17.948 305 2HG GLU 40 3HG GLU 40 -0.040 -1.463 18.629 306 H GLY 41 HN GLY 41 1.789 1.677 15.695 307 1HA GLY 41 1HA GLY 41 1.445 3.841 17.317 308 2HA GLY 41 2HA GLY 41 3.164 3.848 16.977 309 H LEU 42 HN LEU 42 2.140 6.025 16.000 310 HA LEU 42 HA LEU 42 1.056 5.561 13.351 311 1HB LEU 42 2HB LEU 42 1.574 8.080 14.936 312 2HB LEU 42 3HB LEU 42 0.898 8.047 13.320 313 HG LEU 42 HG LEU 42 -1.010 6.680 14.198 314 1HD1 LEU 42 1HD1 LEU 42 -0.388 5.616 16.125 315 2HD1 LEU 42 2HD1 LEU 42 0.524 7.015 16.742 316 3HD1 LEU 42 3HD1 LEU 42 -1.255 7.014 16.805 317 1HD2 LEU 42 1HD2 LEU 42 -0.590 9.400 15.467 318 2HD2 LEU 42 2HD2 LEU 42 -1.243 9.074 13.843 319 3HD2 LEU 42 3HD2 LEU 42 -2.152 8.566 15.287 320 H HIS 43 HN HIS 43 2.198 5.705 11.466 321 HA HIS 43 HA HIS 43 5.028 6.381 11.785 322 1HB HIS 43 2HB HIS 43 4.147 4.955 9.349 323 2HB HIS 43 3HB HIS 43 5.574 4.726 10.339 324 HD1 HIS 43 HD1 HIS 43 4.326 4.000 13.060 325 HD2 HIS 43 HD2 HIS 43 2.965 2.487 9.392 326 HE1 HIS 43 HE1 HIS 43 3.113 1.819 13.592 327 H GLY 44 HN GLY 44 6.059 7.692 10.135 328 1HA GLY 44 1HA GLY 44 4.863 10.010 9.465 329 2HA GLY 44 2HA GLY 44 6.150 9.281 8.526 330 H PHE 45 HN PHE 45 4.158 10.904 7.325 331 HA PHE 45 HA PHE 45 2.115 9.227 6.240 332 1HB PHE 45 2HB PHE 45 3.246 12.035 5.736 333 2HB PHE 45 3HB PHE 45 1.945 11.403 4.746 334 HD1 PHE 45 1HD PHE 45 2.670 11.454 8.418 335 HD2 PHE 45 2HD PHE 45 -0.096 12.286 5.310 336 HE1 PHE 45 1HE PHE 45 0.997 12.236 10.117 337 HE2 PHE 45 2HE PHE 45 -1.770 13.069 7.009 338 HZ PHE 45 HZ PHE 45 -1.203 13.034 9.392 339 H HIS 46 HN HIS 46 2.177 7.998 4.407 340 HA HIS 46 HA HIS 46 4.623 7.598 3.109 341 1HB HIS 46 2HB HIS 46 3.452 6.035 1.752 342 2HB HIS 46 3HB HIS 46 2.802 5.920 3.376 343 HD1 HIS 46 HD1 HIS 46 1.478 5.426 0.316 344 HD2 HIS 46 HD2 HIS 46 0.516 8.285 3.230 345 HE1 HIS 46 HE1 HIS 46 -0.914 6.166 -0.172 346 H VAL 47 HN VAL 47 4.576 7.631 0.497 347 HA VAL 47 HA VAL 47 4.602 8.847 -1.351 348 HB VAL 47 HB VAL 47 2.442 10.542 -0.084 349 1HG1 VAL 47 1HG1 VAL 47 3.792 11.124 -2.330 350 2HG1 VAL 47 2HG1 VAL 47 2.573 10.023 -3.017 351 3HG1 VAL 47 3HG1 VAL 47 2.060 11.477 -2.128 352 1HG2 VAL 47 1HG2 VAL 47 0.849 9.002 -0.606 353 2HG2 VAL 47 2HG2 VAL 47 1.750 8.376 -2.008 354 3HG2 VAL 47 3HG2 VAL 47 2.207 7.877 -0.361 355 H HIS 48 HN HIS 48 6.722 9.268 0.088 356 HA HIS 48 HA HIS 48 7.091 12.142 -0.080 357 1HB HIS 48 2HB HIS 48 7.606 10.481 2.393 358 2HB HIS 48 3HB HIS 48 8.409 12.012 2.108 359 HD1 HIS 48 HD1 HIS 48 5.674 13.276 0.765 360 HD2 HIS 48 HD2 HIS 48 6.154 11.567 4.566 361 HE1 HIS 48 HE1 HIS 48 3.809 14.233 2.220 362 H GLU 49 HN GLU 49 9.464 12.717 -0.119 363 HA GLU 49 HA GLU 49 11.322 10.632 -0.429 364 1HB GLU 49 2HB GLU 49 9.799 11.240 -2.757 365 2HB GLU 49 3HB GLU 49 11.372 11.968 -3.015 366 1HG GLU 49 2HG GLU 49 12.010 9.878 -3.683 367 2HG GLU 49 3HG GLU 49 12.113 9.527 -1.970 368 H GLU 50 HN GLU 50 13.096 11.553 0.495 369 HA GLU 50 HA GLU 50 14.383 13.712 -0.526 370 1HB GLU 50 2HB GLU 50 12.100 14.657 0.764 371 2HB GLU 50 3HB GLU 50 13.331 14.839 1.998 372 1HG GLU 50 2HG GLU 50 14.436 15.702 -0.540 373 2HG GLU 50 3HG GLU 50 12.887 16.488 -0.312 374 H GLU 51 HN GLU 51 15.859 14.779 1.463 375 HA GLU 51 HA GLU 51 17.221 14.434 3.147 376 1HB GLU 51 2HB GLU 51 15.148 12.685 3.860 377 2HB GLU 51 3HB GLU 51 16.570 11.661 3.896 378 1HG GLU 51 2HG GLU 51 16.472 12.590 6.084 379 2HG GLU 51 3HG GLU 51 17.709 13.533 5.277 380 H ASP 52 HN ASP 52 16.603 11.317 1.377 381 HA ASP 52 HA ASP 52 19.442 10.872 1.302 382 1HB ASP 52 2HB ASP 52 17.129 9.242 0.148 383 2HB ASP 52 3HB ASP 52 18.798 8.711 0.217 384 H ASN 53 HN ASN 53 20.675 11.470 -0.495 385 HA ASN 53 HA ASN 53 19.175 12.273 -2.850 386 1HB ASN 53 2HB ASN 53 21.966 12.971 -1.817 387 2HB ASN 53 3HB ASN 53 21.461 13.378 -3.445 388 1HD2 ASN 53 1HD2 ASN 53 22.104 14.937 -0.938 389 2HD2 ASN 53 2HD2 ASN 53 20.791 16.048 -0.731 390 H THR 54 HN THR 54 19.447 9.500 -2.523 391 HA THR 54 HA THR 54 21.748 8.775 -4.207 392 HB THR 54 HB THR 54 21.591 7.710 -1.940 393 HG1 THR 54 1HG THR 54 22.474 6.391 -3.590 394 1HG2 THR 54 1HG2 THR 54 19.771 5.908 -1.737 395 2HG2 THR 54 2HG2 THR 54 19.190 7.579 -1.535 396 3HG2 THR 54 3HG2 THR 54 18.926 6.724 -3.074 397 H ALA 55 HN ALA 55 18.201 8.762 -3.927 398 HA ALA 55 HA ALA 55 16.624 8.377 -5.429 399 1HB ALA 55 1HB ALA 55 17.863 9.899 -6.872 400 2HB ALA 55 2HB ALA 55 18.946 8.583 -7.388 401 3HB ALA 55 3HB ALA 55 17.228 8.557 -7.853 402 H GLY 56 HN GLY 56 15.644 6.425 -5.303 403 1HA GLY 56 1HA GLY 56 16.457 4.234 -6.879 404 2HA GLY 56 2HA GLY 56 17.000 3.985 -5.231 405 H CYS 57 HN CYS 57 14.030 5.657 -6.473 406 HA CYS 57 HA CYS 57 12.356 3.485 -5.750 407 1HB CYS 57 2HB CYS 57 12.688 5.762 -3.841 408 2HB CYS 57 3HB CYS 57 11.086 5.089 -4.073 409 H THR 58 HN THR 58 12.642 7.083 -6.157 410 HA THR 58 HA THR 58 10.303 6.960 -7.942 411 HB THR 58 HB THR 58 10.173 8.365 -5.810 412 HG1 THR 58 1HG THR 58 8.848 9.352 -7.283 413 1HG2 THR 58 1HG2 THR 58 11.327 10.630 -6.035 414 2HG2 THR 58 2HG2 THR 58 12.442 9.290 -5.672 415 3HG2 THR 58 3HG2 THR 58 12.324 9.926 -7.331 416 H SER 59 HN SER 59 13.693 8.041 -7.568 417 HA SER 59 HA SER 59 15.053 9.008 -9.002 418 1HB SER 59 2HB SER 59 15.450 7.637 -11.049 419 2HB SER 59 3HB SER 59 15.272 6.652 -9.611 420 HG SER 59 HG SER 59 13.414 5.811 -10.351 421 H ALA 60 HN ALA 60 13.628 11.011 -9.063 422 HA ALA 60 HA ALA 60 13.218 11.784 -11.758 423 1HB ALA 60 1HB ALA 60 10.813 12.144 -11.686 424 2HB ALA 60 2HB ALA 60 11.148 10.429 -11.348 425 3HB ALA 60 3HB ALA 60 10.734 11.534 -10.016 426 H GLY 61 HN GLY 61 11.741 12.585 -8.529 427 1HA GLY 61 1HA GLY 61 13.419 14.959 -8.356 428 2HA GLY 61 2HA GLY 61 11.701 15.241 -8.557 429 HA PRO 62 HA PRO 62 12.348 13.046 -4.389 430 1HB PRO 62 2HB PRO 62 14.890 12.770 -3.423 431 2HB PRO 62 3HB PRO 62 14.043 11.491 -4.270 432 1HG PRO 62 2HG PRO 62 16.222 13.234 -5.246 433 2HG PRO 62 3HG PRO 62 15.663 11.706 -5.898 434 1HD PRO 62 2HD PRO 62 15.117 14.321 -6.943 435 2HD PRO 62 3HD PRO 62 14.464 12.803 -7.524 436 H HIS 63 HN HIS 63 11.589 15.473 -4.679 437 HA HIS 63 HA HIS 63 12.678 16.706 -2.318 438 1HB HIS 63 2HB HIS 63 13.399 18.720 -3.277 439 2HB HIS 63 3HB HIS 63 14.120 17.460 -4.259 440 HD1 HIS 63 HD1 HIS 63 13.514 20.455 -5.209 441 HD2 HIS 63 HD2 HIS 63 11.214 17.060 -6.089 442 HE1 HIS 63 HE1 HIS 63 12.219 21.001 -7.339 443 H PHE 64 HN PHE 64 10.316 15.621 -2.194 444 HA PHE 64 HA PHE 64 8.113 15.875 -2.107 445 1HB PHE 64 2HB PHE 64 8.836 18.831 -1.700 446 2HB PHE 64 3HB PHE 64 7.490 17.978 -0.971 447 HD1 PHE 64 1HD PHE 64 9.051 15.474 -0.165 448 HD2 PHE 64 2HD PHE 64 9.875 19.613 0.277 449 HE1 PHE 64 1HE PHE 64 10.458 14.978 1.854 450 HE2 PHE 64 2HE PHE 64 11.282 19.117 2.296 451 HZ PHE 64 HZ PHE 64 11.557 16.806 3.060 452 H ASN 65 HN ASN 65 6.468 18.243 -2.598 453 HA ASN 65 HA ASN 65 6.959 18.814 -5.379 454 1HB ASN 65 2HB ASN 65 4.205 17.820 -4.528 455 2HB ASN 65 3HB ASN 65 4.823 18.008 -6.157 456 1HD2 ASN 65 1HD2 ASN 65 5.453 16.291 -3.110 457 2HD2 ASN 65 2HD2 ASN 65 5.979 14.793 -3.802 458 HA PRO 66 HA PRO 66 4.995 22.527 -4.120 459 1HB PRO 66 2HB PRO 66 3.919 23.494 -6.439 460 2HB PRO 66 3HB PRO 66 5.619 23.639 -6.038 461 1HG PRO 66 2HG PRO 66 4.320 21.817 -7.969 462 2HG PRO 66 3HG PRO 66 6.007 22.277 -7.858 463 1HD PRO 66 2HD PRO 66 4.845 19.797 -7.007 464 2HD PRO 66 3HD PRO 66 6.508 20.303 -6.791 465 H LEU 67 HN LEU 67 2.836 20.699 -6.230 466 HA LEU 67 HA LEU 67 0.468 21.750 -5.589 467 1HB LEU 67 2HB LEU 67 1.459 19.180 -6.460 468 2HB LEU 67 3HB LEU 67 0.047 18.980 -5.442 469 HG LEU 67 HG LEU 67 -0.224 21.075 -7.507 470 1HD1 LEU 67 1HD1 LEU 67 1.062 18.771 -8.344 471 2HD1 LEU 67 2HD1 LEU 67 -0.646 18.460 -8.734 472 3HD1 LEU 67 3HD1 LEU 67 0.162 19.913 -9.370 473 1HD2 LEU 67 1HD2 LEU 67 -2.070 20.370 -6.050 474 2HD2 LEU 67 2HD2 LEU 67 -2.431 20.081 -7.769 475 3HD2 LEU 67 3HD2 LEU 67 -1.965 18.723 -6.716 476 H SER 68 HN SER 68 2.264 19.336 -3.566 477 HA SER 68 HA SER 68 0.312 19.402 -1.548 478 1HB SER 68 2HB SER 68 1.820 17.479 -1.861 479 2HB SER 68 3HB SER 68 3.218 18.477 -1.518 480 HG SER 68 HG SER 68 2.073 18.903 0.636 481 H ARG 69 HN ARG 69 3.489 21.029 -2.092 482 HA ARG 69 HA ARG 69 4.326 22.853 -1.279 483 1HB ARG 69 2HB ARG 69 1.470 23.196 -0.610 484 2HB ARG 69 3HB ARG 69 2.508 24.025 0.533 485 1HG ARG 69 2HG ARG 69 3.274 24.358 -2.335 486 2HG ARG 69 3HG ARG 69 1.733 25.068 -1.895 487 1HD ARG 69 2HD ARG 69 3.014 26.114 0.138 488 2HD ARG 69 3HD ARG 69 4.475 25.684 -0.727 489 HE ARG 69 HE ARG 69 2.531 27.136 -2.376 490 1HH1 ARG 69 2HH2 ARG 69 5.226 27.448 -0.135 491 2HH1 ARG 69 1HH2 ARG 69 5.664 29.032 -0.683 492 1HH2 ARG 69 2HH1 ARG 69 3.108 29.225 -3.099 493 2HH2 ARG 69 1HH1 ARG 69 4.451 30.050 -2.380 494 H LYS 70 HN LYS 70 2.193 21.412 1.304 495 HA LYS 70 HA LYS 70 2.690 20.539 3.279 496 1HB LYS 70 2HB LYS 70 5.216 20.317 1.880 497 2HB LYS 70 3HB LYS 70 5.491 20.646 3.579 498 1HG LYS 70 2HG LYS 70 4.784 18.571 4.198 499 2HG LYS 70 3HG LYS 70 3.328 18.694 3.230 500 1HD LYS 70 2HD LYS 70 4.306 17.700 1.361 501 2HD LYS 70 3HD LYS 70 5.908 18.301 1.739 502 1HE LYS 70 2HE LYS 70 4.651 16.285 3.609 503 2HE LYS 70 3HE LYS 70 5.288 15.718 2.078 504 1HZ LYS 70 1HZ LYS 70 6.883 15.747 3.952 505 2HZ LYS 70 2HZ LYS 70 7.400 16.548 2.627 506 3HZ LYS 70 3HZ LYS 70 6.853 17.379 3.921 507 H HIS 71 HN HIS 71 3.805 21.202 5.472 508 HA HIS 71 HA HIS 71 4.100 22.726 7.022 509 1HB HIS 71 2HB HIS 71 6.050 23.547 6.099 510 2HB HIS 71 3HB HIS 71 5.258 24.141 4.652 511 HD1 HIS 71 HD1 HIS 71 5.785 25.037 8.308 512 HD2 HIS 71 HD2 HIS 71 4.400 26.789 4.757 513 HE1 HIS 71 HE1 HIS 71 5.518 27.527 8.796 514 H GLY 72 HN GLY 72 1.682 22.499 7.132 515 1HA GLY 72 1HA GLY 72 0.427 24.925 7.528 516 2HA GLY 72 2HA GLY 72 0.020 24.451 5.891 517 H GLY 73 HN GLY 73 -1.874 23.346 5.719 518 1HA GLY 73 1HA GLY 73 -2.740 21.754 8.050 519 2HA GLY 73 2HA GLY 73 -3.795 22.519 6.878 520 HA PRO 74 HA PRO 74 -2.328 18.246 5.503 521 1HB PRO 74 2HB PRO 74 -3.584 16.417 7.099 522 2HB PRO 74 3HB PRO 74 -1.912 16.892 7.319 523 1HG PRO 74 2HG PRO 74 -4.282 17.659 8.912 524 2HG PRO 74 3HG PRO 74 -2.587 17.765 9.345 525 1HD PRO 74 2HD PRO 74 -4.287 19.926 8.529 526 2HD PRO 74 3HD PRO 74 -2.567 20.010 8.850 527 H LYS 75 HN LYS 75 -3.465 18.916 3.674 528 HA LYS 75 HA LYS 75 -5.078 18.621 2.187 529 1HB LYS 75 2HB LYS 75 -5.210 16.295 2.874 530 2HB LYS 75 3HB LYS 75 -6.250 16.705 4.223 531 1HG LYS 75 2HG LYS 75 -7.325 17.787 1.717 532 2HG LYS 75 3HG LYS 75 -7.059 16.060 1.585 533 1HD LYS 75 2HD LYS 75 -8.204 16.211 4.092 534 2HD LYS 75 3HD LYS 75 -8.996 17.554 3.291 535 1HE LYS 75 2HE LYS 75 -9.248 15.703 1.318 536 2HE LYS 75 3HE LYS 75 -9.162 14.613 2.687 537 1HZ LYS 75 1HZ LYS 75 -11.144 16.672 2.133 538 2HZ LYS 75 2HZ LYS 75 -11.372 15.113 2.560 539 3HZ LYS 75 3HZ LYS 75 -10.890 16.202 3.676 540 H ASP 76 HN ASP 76 -4.990 20.742 4.254 541 HA ASP 76 HA ASP 76 -7.836 21.376 4.207 542 1HB ASP 76 2HB ASP 76 -5.980 21.272 6.431 543 2HB ASP 76 3HB ASP 76 -6.470 22.939 6.204 544 H GLU 77 HN GLU 77 -4.773 23.139 5.091 545 HA GLU 77 HA GLU 77 -5.551 25.188 3.189 546 1HB GLU 77 2HB GLU 77 -4.737 25.382 5.821 547 2HB GLU 77 3HB GLU 77 -3.232 25.694 4.978 548 1HG GLU 77 2HG GLU 77 -4.043 27.637 3.943 549 2HG GLU 77 3HG GLU 77 -5.710 27.100 3.988 550 H GLU 78 HN GLU 78 -3.976 22.412 2.921 551 HA GLU 78 HA GLU 78 -2.384 23.320 0.804 552 1HB GLU 78 2HB GLU 78 -1.078 23.495 3.267 553 2HB GLU 78 3HB GLU 78 -0.533 21.949 2.649 554 1HG GLU 78 2HG GLU 78 0.946 23.075 1.349 555 2HG GLU 78 3HG GLU 78 -0.413 23.649 0.403 556 H ARG 79 HN ARG 79 -0.510 21.014 0.904 557 HA ARG 79 HA ARG 79 -0.409 18.907 0.425 558 1HB ARG 79 2HB ARG 79 -1.596 18.499 2.592 559 2HB ARG 79 3HB ARG 79 -3.142 18.641 1.779 560 1HG ARG 79 2HG ARG 79 -1.170 16.654 0.666 561 2HG ARG 79 3HG ARG 79 -1.947 16.253 2.184 562 1HD ARG 79 2HD ARG 79 -4.088 16.136 1.227 563 2HD ARG 79 3HD ARG 79 -3.697 17.262 -0.057 564 HE ARG 79 HE ARG 79 -2.166 14.767 -0.205 565 1HH1 ARG 79 2HH2 ARG 79 -5.163 16.370 -1.115 566 2HH1 ARG 79 1HH2 ARG 79 -5.469 15.318 -2.456 567 1HH2 ARG 79 2HH1 ARG 79 -2.568 13.378 -1.974 568 2HH2 ARG 79 1HH1 ARG 79 -3.982 13.604 -2.948 569 H HIS 80 HN HIS 80 -1.129 17.360 -1.253 570 HA HIS 80 HA HIS 80 -3.481 17.267 -2.528 571 1HB HIS 80 2HB HIS 80 -2.263 19.829 -3.041 572 2HB HIS 80 3HB HIS 80 -2.350 18.919 -4.536 573 HD1 HIS 80 HD1 HIS 80 -4.471 20.676 -2.010 574 HD2 HIS 80 HD2 HIS 80 -5.007 18.281 -5.412 575 HE1 HIS 80 HE1 HIS 80 -6.921 20.922 -2.679 576 H VAL 81 HN VAL 81 0.056 17.401 -2.705 577 HA VAL 81 HA VAL 81 -0.036 14.993 -4.346 578 HB VAL 81 HB VAL 81 1.442 17.539 -4.991 579 1HG1 VAL 81 1HG1 VAL 81 2.359 15.926 -6.909 580 2HG1 VAL 81 2HG1 VAL 81 3.209 16.133 -5.359 581 3HG1 VAL 81 3HG1 VAL 81 2.171 14.711 -5.622 582 1HG2 VAL 81 1HG2 VAL 81 0.414 17.279 -7.184 583 2HG2 VAL 81 2HG2 VAL 81 -0.315 15.733 -6.687 584 3HG2 VAL 81 3HG2 VAL 81 -0.836 17.251 -5.917 585 H GLY 82 HN GLY 82 0.247 14.390 -1.916 586 1HA GLY 82 1HA GLY 82 2.696 13.320 -1.463 587 2HA GLY 82 2HA GLY 82 2.842 14.930 -0.787 588 H ASP 83 HN ASP 83 1.660 15.527 1.096 589 HA ASP 83 HA ASP 83 1.274 13.645 2.955 590 1HB ASP 83 2HB ASP 83 0.208 16.411 2.512 591 2HB ASP 83 3HB ASP 83 -0.611 15.470 3.742 592 H LEU 84 HN LEU 84 -0.326 12.090 3.383 593 HA LEU 84 HA LEU 84 -2.908 12.439 2.042 594 1HB LEU 84 2HB LEU 84 -1.471 10.914 0.737 595 2HB LEU 84 3HB LEU 84 -1.306 9.879 2.141 596 HG LEU 84 HG LEU 84 -4.075 10.494 1.208 597 1HD1 LEU 84 1HD1 LEU 84 -4.077 9.069 -0.626 598 2HD1 LEU 84 2HD1 LEU 84 -2.556 9.972 -0.821 599 3HD1 LEU 84 3HD1 LEU 84 -2.530 8.314 -0.174 600 1HD2 LEU 84 1HD2 LEU 84 -2.800 8.673 3.000 601 2HD2 LEU 84 2HD2 LEU 84 -4.536 8.907 2.683 602 3HD2 LEU 84 3HD2 LEU 84 -3.604 7.738 1.717 603 H GLY 85 HN GLY 85 -1.007 10.589 4.518 604 1HA GLY 85 1HA GLY 85 -2.573 11.279 6.683 605 2HA GLY 85 2HA GLY 85 -3.317 9.843 6.008 606 H ASN 86 HN ASN 86 -2.122 9.896 8.603 607 HA ASN 86 HA ASN 86 0.485 8.763 8.320 608 1HB ASN 86 2HB ASN 86 -1.190 9.849 10.477 609 2HB ASN 86 3HB ASN 86 -0.479 8.324 10.967 610 1HD2 ASN 86 1HD2 ASN 86 0.276 10.446 12.329 611 2HD2 ASN 86 2HD2 ASN 86 1.885 10.961 11.948 612 H VAL 87 HN VAL 87 0.996 6.521 9.023 613 HA VAL 87 HA VAL 87 -1.348 4.760 8.839 614 HB VAL 87 HB VAL 87 0.544 3.086 8.208 615 1HG1 VAL 87 1HG1 VAL 87 -0.795 5.174 6.531 616 2HG1 VAL 87 2HG1 VAL 87 0.442 4.143 5.771 617 3HG1 VAL 87 3HG1 VAL 87 -0.989 3.404 6.530 618 1HG2 VAL 87 1HG2 VAL 87 1.915 5.499 7.074 619 2HG2 VAL 87 2HG2 VAL 87 2.255 5.030 8.757 620 3HG2 VAL 87 3HG2 VAL 87 2.561 3.880 7.433 621 H THR 88 HN THR 88 -1.762 3.332 10.492 622 HA THR 88 HA THR 88 0.129 3.443 12.746 623 HB THR 88 HB THR 88 -2.875 2.838 12.678 624 HG1 THR 88 1HG THR 88 -3.001 5.050 12.964 625 1HG2 THR 88 1HG2 THR 88 -1.853 1.904 14.708 626 2HG2 THR 88 2HG2 THR 88 -0.880 3.376 14.939 627 3HG2 THR 88 3HG2 THR 88 -2.647 3.436 15.145 628 H ALA 89 HN ALA 89 0.711 1.542 13.860 629 HA ALA 89 HA ALA 89 0.691 -0.769 12.120 630 1HB ALA 89 1HB ALA 89 2.194 0.166 14.545 631 2HB ALA 89 2HB ALA 89 2.120 -1.582 14.220 632 3HB ALA 89 3HB ALA 89 2.807 -0.479 13.004 633 H ASP 90 HN ASP 90 0.491 -2.980 13.482 634 HA ASP 90 HA ASP 90 -2.195 -2.905 14.429 635 1HB ASP 90 2HB ASP 90 -1.626 -4.782 13.055 636 2HB ASP 90 3HB ASP 90 -0.136 -5.079 13.928 637 H LYS 91 HN LYS 91 0.157 -5.189 15.820 638 HA LYS 91 HA LYS 91 0.160 -3.708 18.341 639 1HB LYS 91 2HB LYS 91 -0.392 -5.740 19.588 640 2HB LYS 91 3HB LYS 91 -1.694 -5.273 18.512 641 1HG LYS 91 2HG LYS 91 -0.805 -6.930 16.805 642 2HG LYS 91 3HG LYS 91 0.381 -7.452 17.985 643 1HD LYS 91 2HD LYS 91 -2.517 -7.410 18.825 644 2HD LYS 91 3HD LYS 91 -1.998 -8.682 17.737 645 1HE LYS 91 2HE LYS 91 -0.423 -9.557 19.307 646 2HE LYS 91 3HE LYS 91 -0.407 -8.083 20.255 647 1HZ LYS 91 1HZ LYS 91 -2.933 -9.478 19.980 648 2HZ LYS 91 2HZ LYS 91 -1.808 -10.134 20.966 649 3HZ LYS 91 3HZ LYS 91 -2.353 -8.619 21.243 650 H ASP 92 HN ASP 92 1.939 -4.710 15.860 651 HA ASP 92 HA ASP 92 4.228 -5.035 17.530 652 1HB ASP 92 2HB ASP 92 3.024 -7.288 15.994 653 2HB ASP 92 3HB ASP 92 4.742 -7.069 15.722 654 H GLY 93 HN GLY 93 2.966 -3.190 15.457 655 1HA GLY 93 1HA GLY 93 4.142 -1.757 14.039 656 2HA GLY 93 2HA GLY 93 5.281 -3.035 13.663 657 H VAL 94 HN VAL 94 3.459 -5.180 13.075 658 HA VAL 94 HA VAL 94 3.071 -4.979 10.440 659 HB VAL 94 HB VAL 94 1.139 -6.331 12.331 660 1HG1 VAL 94 1HG1 VAL 94 0.997 -6.181 9.617 661 2HG1 VAL 94 2HG1 VAL 94 1.994 -7.641 9.817 662 3HG1 VAL 94 3HG1 VAL 94 0.388 -7.549 10.579 663 1HG2 VAL 94 1HG2 VAL 94 3.088 -8.178 11.494 664 2HG2 VAL 94 2HG2 VAL 94 3.989 -6.726 11.992 665 3HG2 VAL 94 3HG2 VAL 94 2.861 -7.507 13.127 666 H ALA 95 HN ALA 95 2.362 -3.075 9.510 667 HA ALA 95 HA ALA 95 -0.221 -2.053 10.436 668 1HB ALA 95 1HB ALA 95 1.121 -0.441 8.429 669 2HB ALA 95 2HB ALA 95 0.692 -0.026 10.106 670 3HB ALA 95 3HB ALA 95 2.239 -0.834 9.758 671 H ASP 96 HN ASP 96 -1.963 -2.828 9.359 672 HA ASP 96 HA ASP 96 -1.534 -3.512 6.561 673 1HB ASP 96 2HB ASP 96 -2.286 -5.448 7.759 674 2HB ASP 96 3HB ASP 96 -3.455 -4.527 8.683 675 H VAL 97 HN VAL 97 -3.099 -2.699 4.998 676 HA VAL 97 HA VAL 97 -4.935 -0.680 6.090 677 HB VAL 97 HB VAL 97 -3.392 -0.589 3.491 678 1HG1 VAL 97 1HG1 VAL 97 -4.197 1.886 3.681 679 2HG1 VAL 97 2HG1 VAL 97 -5.320 0.644 3.078 680 3HG1 VAL 97 3HG1 VAL 97 -5.443 1.214 4.760 681 1HG2 VAL 97 1HG2 VAL 97 -2.010 -0.316 5.593 682 2HG2 VAL 97 2HG2 VAL 97 -1.975 1.063 4.468 683 3HG2 VAL 97 3HG2 VAL 97 -2.970 1.142 5.942 684 H SER 98 HN SER 98 -6.835 -0.246 4.593 685 HA SER 98 HA SER 98 -7.429 -2.164 2.635 686 1HB SER 98 2HB SER 98 -7.782 -3.323 5.008 687 2HB SER 98 3HB SER 98 -9.276 -2.406 5.013 688 HG SER 98 HG SER 98 -9.170 -3.496 2.585 689 H ILE 99 HN ILE 99 -8.049 -0.406 1.336 690 HA ILE 99 HA ILE 99 -10.399 1.059 2.309 691 HB ILE 99 HB ILE 99 -8.136 2.205 0.671 692 1HG1 ILE 99 2HG1 ILE 99 -8.661 3.239 3.393 693 2HG1 ILE 99 3HG1 ILE 99 -7.989 1.622 3.333 694 1HG2 ILE 99 1HG2 ILE 99 -10.284 3.222 0.156 695 2HG2 ILE 99 2HG2 ILE 99 -10.592 3.500 1.886 696 3HG2 ILE 99 3HG2 ILE 99 -9.260 4.354 1.072 697 1HD1 ILE 99 1HD1 ILE 99 -6.799 4.212 2.337 698 2HD1 ILE 99 2HD1 ILE 99 -6.042 2.919 3.298 699 3HD1 ILE 99 3HD1 ILE 99 -6.321 2.685 1.555 700 H GLU 100 HN GLU 100 -12.044 1.433 0.780 701 HA GLU 100 HA GLU 100 -11.563 0.135 -1.787 702 1HB GLU 100 2HB GLU 100 -12.961 -1.308 -0.325 703 2HB GLU 100 3HB GLU 100 -14.104 0.001 -0.104 704 1HG GLU 100 2HG GLU 100 -14.302 0.031 -2.706 705 2HG GLU 100 3HG GLU 100 -13.481 -1.517 -2.667 706 H ASP 101 HN ASP 101 -11.127 2.184 -2.786 707 HA ASP 101 HA ASP 101 -13.366 4.037 -2.701 708 1HB ASP 101 2HB ASP 101 -10.479 4.331 -2.738 709 2HB ASP 101 3HB ASP 101 -11.134 5.101 -4.169 710 H SER 102 HN SER 102 -14.440 4.578 -4.677 711 HA SER 102 HA SER 102 -13.467 3.108 -7.002 712 1HB SER 102 2HB SER 102 -15.856 3.039 -7.753 713 2HB SER 102 3HB SER 102 -15.587 2.180 -6.249 714 HG SER 102 HG SER 102 -17.202 4.369 -6.755 715 H VAL 103 HN VAL 103 -12.618 5.797 -6.154 716 HA VAL 103 HA VAL 103 -13.957 7.456 -8.168 717 HB VAL 103 HB VAL 103 -12.281 8.169 -5.754 718 1HG1 VAL 103 1HG1 VAL 103 -12.148 10.316 -6.432 719 2HG1 VAL 103 2HG1 VAL 103 -12.421 9.642 -8.057 720 3HG1 VAL 103 3HG1 VAL 103 -13.787 10.305 -7.127 721 1HG2 VAL 103 1HG2 VAL 103 -14.958 9.283 -5.844 722 2HG2 VAL 103 2HG2 VAL 103 -15.004 7.507 -5.958 723 3HG2 VAL 103 3HG2 VAL 103 -14.181 8.290 -4.587 724 H ILE 104 HN ILE 104 -10.716 6.535 -6.828 725 HA ILE 104 HA ILE 104 -9.312 7.780 -8.944 726 HB ILE 104 HB ILE 104 -7.380 6.850 -7.978 727 1HG1 ILE 104 2HG1 ILE 104 -8.272 4.498 -7.880 728 2HG1 ILE 104 3HG1 ILE 104 -7.273 4.982 -6.525 729 1HG2 ILE 104 1HG2 ILE 104 -9.482 7.907 -6.200 730 2HG2 ILE 104 2HG2 ILE 104 -8.142 7.075 -5.374 731 3HG2 ILE 104 3HG2 ILE 104 -7.805 8.447 -6.458 732 1HD1 ILE 104 1HD1 ILE 104 -10.265 4.567 -6.622 733 2HD1 ILE 104 2HD1 ILE 104 -9.084 3.967 -5.434 734 3HD1 ILE 104 3HD1 ILE 104 -9.576 5.677 -5.413 735 H SER 105 HN SER 105 -7.543 6.060 -10.039 736 HA SER 105 HA SER 105 -8.591 3.622 -10.825 737 1HB SER 105 2HB SER 105 -10.097 5.463 -12.041 738 2HB SER 105 3HB SER 105 -8.740 5.545 -13.146 739 HG SER 105 HG SER 105 -10.312 3.985 -13.855 740 H LEU 106 HN LEU 106 -7.121 2.521 -12.360 741 HA LEU 106 HA LEU 106 -4.496 3.759 -12.301 742 1HB LEU 106 2HB LEU 106 -5.205 0.985 -13.234 743 2HB LEU 106 3HB LEU 106 -3.641 1.594 -12.732 744 HG LEU 106 HG LEU 106 -5.127 2.013 -10.466 745 1HD1 LEU 106 1HD1 LEU 106 -6.235 -0.304 -10.153 746 2HD1 LEU 106 2HD1 LEU 106 -7.114 0.960 -11.047 747 3HD1 LEU 106 3HD1 LEU 106 -6.287 -0.345 -11.931 748 1HD2 LEU 106 1HD2 LEU 106 -4.054 -0.612 -10.279 749 2HD2 LEU 106 2HD2 LEU 106 -2.989 0.335 -11.346 750 3HD2 LEU 106 3HD2 LEU 106 -3.355 0.921 -9.705 751 H SER 107 HN SER 107 -7.061 4.197 -14.213 752 HA SER 107 HA SER 107 -5.683 3.756 -16.711 753 1HB SER 107 2HB SER 107 -8.462 3.990 -15.845 754 2HB SER 107 3HB SER 107 -8.149 5.081 -17.180 755 HG SER 107 HG SER 107 -8.250 3.385 -18.468 756 H GLY 108 HN GLY 108 -6.364 5.796 -18.354 757 1HA GLY 108 1HA GLY 108 -4.754 7.961 -17.428 758 2HA GLY 108 2HA GLY 108 -5.610 7.839 -18.952 759 H ASP 109 HN ASP 109 -6.014 8.574 -15.447 760 HA ASP 109 HA ASP 109 -7.718 10.717 -16.084 761 1HB ASP 109 2HB ASP 109 -8.927 8.124 -15.490 762 2HB ASP 109 3HB ASP 109 -9.350 9.276 -14.239 763 H HIS 110 HN HIS 110 -7.146 8.234 -13.466 764 HA HIS 110 HA HIS 110 -6.453 10.458 -11.690 765 1HB HIS 110 2HB HIS 110 -7.846 7.837 -11.207 766 2HB HIS 110 3HB HIS 110 -6.972 8.616 -9.902 767 HD1 HIS 110 HD1 HIS 110 -9.840 9.322 -12.324 768 HD2 HIS 110 HD2 HIS 110 -8.339 10.654 -8.640 769 HE1 HIS 110 HE1 HIS 110 -11.575 10.943 -11.390 770 H SER 111 HN SER 111 -5.631 7.133 -12.803 771 HA SER 111 HA SER 111 -3.835 5.916 -12.553 772 1HB SER 111 2HB SER 111 -3.049 7.572 -14.217 773 2HB SER 111 3HB SER 111 -2.480 8.623 -12.935 774 HG SER 111 HG SER 111 -0.769 7.309 -13.883 775 H ILE 112 HN ILE 112 -3.918 5.135 -10.406 776 HA ILE 112 HA ILE 112 -2.901 6.814 -8.288 777 HB ILE 112 HB ILE 112 -3.568 4.979 -6.838 778 1HG1 ILE 112 2HG1 ILE 112 -4.308 3.519 -9.391 779 2HG1 ILE 112 3HG1 ILE 112 -2.994 3.100 -8.310 780 1HG2 ILE 112 1HG2 ILE 112 -6.044 4.958 -8.232 781 2HG2 ILE 112 2HG2 ILE 112 -5.553 5.963 -6.847 782 3HG2 ILE 112 3HG2 ILE 112 -5.280 6.542 -8.508 783 1HD1 ILE 112 1HD1 ILE 112 -4.749 2.911 -6.437 784 2HD1 ILE 112 2HD1 ILE 112 -5.980 3.023 -7.718 785 3HD1 ILE 112 3HD1 ILE 112 -4.825 1.668 -7.709 786 H ILE 113 HN ILE 113 -1.733 4.475 -10.580 787 HA ILE 113 HA ILE 113 0.266 3.236 -9.135 788 HB ILE 113 HB ILE 113 0.054 4.017 -12.038 789 1HG1 ILE 113 2HG1 ILE 113 -1.592 2.382 -10.981 790 2HG1 ILE 113 3HG1 ILE 113 -0.745 1.848 -12.419 791 1HG2 ILE 113 1HG2 ILE 113 2.392 3.166 -10.633 792 2HG2 ILE 113 2HG2 ILE 113 1.851 1.844 -11.696 793 3HG2 ILE 113 3HG2 ILE 113 2.171 3.458 -12.375 794 1HD1 ILE 113 1HD1 ILE 113 0.612 1.253 -9.819 795 2HD1 ILE 113 2HD1 ILE 113 -0.890 0.358 -10.152 796 3HD1 ILE 113 3HD1 ILE 113 0.477 0.255 -11.286 797 H GLY 114 HN GLY 114 2.198 3.859 -8.283 798 1HA GLY 114 1HA GLY 114 4.198 5.231 -8.686 799 2HA GLY 114 2HA GLY 114 3.123 6.586 -8.968 800 H ARG 115 HN ARG 115 1.647 4.681 -6.607 801 HA ARG 115 HA ARG 115 2.573 6.514 -4.591 802 1HB ARG 115 2HB ARG 115 0.102 5.066 -5.155 803 2HB ARG 115 3HB ARG 115 0.614 4.725 -3.514 804 1HG ARG 115 2HG ARG 115 -0.404 6.700 -2.987 805 2HG ARG 115 3HG ARG 115 1.044 7.450 -3.630 806 1HD ARG 115 2HD ARG 115 -1.468 6.824 -5.260 807 2HD ARG 115 3HD ARG 115 -1.053 8.405 -4.628 808 HE ARG 115 HE ARG 115 1.192 7.518 -6.111 809 1HH1 ARG 115 2HH2 ARG 115 -2.176 8.342 -6.712 810 2HH1 ARG 115 1HH2 ARG 115 -1.893 8.851 -8.343 811 1HH2 ARG 115 2HH1 ARG 115 1.565 8.189 -8.263 812 2HH2 ARG 115 1HH1 ARG 115 0.249 8.763 -9.231 813 H THR 116 HN THR 116 3.725 5.874 -2.727 814 HA THR 116 HA THR 116 4.238 2.993 -2.440 815 HB THR 116 HB THR 116 6.163 3.987 -3.619 816 HG1 THR 116 1HG THR 116 6.285 2.560 -1.554 817 1HG2 THR 116 1HG2 THR 116 7.527 5.733 -2.331 818 2HG2 THR 116 2HG2 THR 116 6.017 6.357 -3.037 819 3HG2 THR 116 3HG2 THR 116 6.099 5.982 -1.299 820 H LEU 117 HN LEU 117 4.038 2.201 -0.420 821 HA LEU 117 HA LEU 117 3.165 4.075 1.591 822 1HB LEU 117 2HB LEU 117 2.550 1.452 0.909 823 2HB LEU 117 3HB LEU 117 3.452 1.295 2.404 824 HG LEU 117 HG LEU 117 1.137 1.405 2.951 825 1HD1 LEU 117 1HD1 LEU 117 2.981 3.475 3.796 826 2HD1 LEU 117 2HD1 LEU 117 1.292 4.029 3.904 827 3HD1 LEU 117 3HD1 LEU 117 1.797 2.542 4.742 828 1HD2 LEU 117 1HD2 LEU 117 0.995 3.226 0.740 829 2HD2 LEU 117 2HD2 LEU 117 -0.321 2.414 1.622 830 3HD2 LEU 117 3HD2 LEU 117 0.284 3.991 2.181 831 H VAL 118 HN VAL 118 5.232 5.252 1.749 832 HA VAL 118 HA VAL 118 7.338 3.697 3.053 833 HB VAL 118 HB VAL 118 8.094 4.916 1.167 834 1HG1 VAL 118 1HG1 VAL 118 6.278 7.022 2.193 835 2HG1 VAL 118 2HG1 VAL 118 7.807 7.598 1.489 836 3HG1 VAL 118 3HG1 VAL 118 6.707 6.586 0.522 837 1HG2 VAL 118 1HG2 VAL 118 8.994 6.887 3.193 838 2HG2 VAL 118 2HG2 VAL 118 9.223 5.174 3.620 839 3HG2 VAL 118 3HG2 VAL 118 9.937 5.822 2.124 840 H VAL 119 HN VAL 119 7.654 3.828 5.220 841 HA VAL 119 HA VAL 119 6.101 5.873 6.629 842 HB VAL 119 HB VAL 119 6.476 4.373 8.590 843 1HG1 VAL 119 1HG1 VAL 119 4.691 2.935 8.059 844 2HG1 VAL 119 2HG1 VAL 119 4.451 4.347 7.002 845 3HG1 VAL 119 3HG1 VAL 119 5.151 2.849 6.341 846 1HG2 VAL 119 1HG2 VAL 119 7.084 2.006 6.987 847 2HG2 VAL 119 2HG2 VAL 119 8.411 3.192 6.982 848 3HG2 VAL 119 3HG2 VAL 119 7.789 2.560 8.525 849 H HIS 120 HN HIS 120 7.106 7.068 8.383 850 HA HIS 120 HA HIS 120 9.867 7.623 7.761 851 1HB HIS 120 2HB HIS 120 7.827 8.955 9.556 852 2HB HIS 120 3HB HIS 120 9.499 9.473 9.464 853 HD1 HIS 120 HD1 HIS 120 8.296 11.773 8.600 854 HD2 HIS 120 HD2 HIS 120 8.218 8.496 5.983 855 HE1 HIS 120 HE1 HIS 120 7.749 12.714 6.293 856 H GLU 121 HN GLU 121 11.326 8.107 9.805 857 HA GLU 121 HA GLU 121 11.581 5.634 11.105 858 1HB GLU 121 2HB GLU 121 13.257 7.760 10.539 859 2HB GLU 121 3HB GLU 121 13.038 7.949 12.267 860 1HG GLU 121 2HG GLU 121 13.535 5.147 11.358 861 2HG GLU 121 3HG GLU 121 14.875 6.251 11.119 862 H LYS 122 HN LYS 122 9.658 8.428 11.717 863 HA LYS 122 HA LYS 122 9.036 7.374 14.365 864 1HB LYS 122 2HB LYS 122 10.635 9.600 14.100 865 2HB LYS 122 3HB LYS 122 9.042 10.315 14.240 866 1HG LYS 122 2HG LYS 122 9.025 8.274 16.181 867 2HG LYS 122 3HG LYS 122 10.649 8.924 16.281 868 1HD LYS 122 2HD LYS 122 9.893 11.100 16.843 869 2HD LYS 122 3HD LYS 122 8.300 10.833 16.165 870 1HE LYS 122 2HE LYS 122 7.823 9.171 18.001 871 2HE LYS 122 3HE LYS 122 9.397 9.509 18.693 872 1HZ LYS 122 1HZ LYS 122 8.559 11.288 19.648 873 2HZ LYS 122 2HZ LYS 122 8.048 11.911 18.228 874 3HZ LYS 122 3HZ LYS 122 7.073 10.917 19.080 875 H ALA 123 HN ALA 123 7.178 9.589 14.903 876 HA ALA 123 HA ALA 123 5.041 8.641 13.203 877 1HB ALA 123 1HB ALA 123 3.604 9.625 14.830 878 2HB ALA 123 2HB ALA 123 4.956 8.923 15.751 879 3HB ALA 123 3HB ALA 123 4.899 10.676 15.451 880 H ASP 124 HN ASP 124 3.429 11.065 13.339 881 HA ASP 124 HA ASP 124 4.936 13.121 12.102 882 1HB ASP 124 2HB ASP 124 3.536 11.103 10.472 883 2HB ASP 124 3HB ASP 124 2.942 12.719 10.149 884 H ASP 125 HN ASP 125 3.945 14.579 13.582 885 HA ASP 125 HA ASP 125 1.054 14.784 13.300 886 1HB ASP 125 2HB ASP 125 2.320 13.951 15.609 887 2HB ASP 125 3HB ASP 125 2.261 15.681 15.879 888 H LEU 126 HN LEU 126 0.985 16.671 12.014 889 HA LEU 126 HA LEU 126 2.900 18.736 12.277 890 1HB LEU 126 2HB LEU 126 0.199 18.884 10.944 891 2HB LEU 126 3HB LEU 126 1.607 19.879 10.628 892 HG LEU 126 HG LEU 126 2.481 17.248 10.181 893 1HD1 LEU 126 1HD1 LEU 126 0.925 16.134 8.863 894 2HD1 LEU 126 2HD1 LEU 126 -0.061 16.768 10.203 895 3HD1 LEU 126 3HD1 LEU 126 -0.071 17.590 8.624 896 1HD2 LEU 126 1HD2 LEU 126 2.575 17.981 7.811 897 2HD2 LEU 126 2HD2 LEU 126 1.636 19.427 8.252 898 3HD2 LEU 126 3HD2 LEU 126 3.253 19.169 8.949 899 H GLY 127 HN GLY 127 2.297 18.427 14.841 900 1HA GLY 127 1HA GLY 127 1.468 20.913 15.721 901 2HA GLY 127 2HA GLY 127 0.040 19.899 15.751 902 H LYS 128 HN LYS 128 3.533 19.886 16.742 903 HA LYS 128 HA LYS 128 2.719 18.265 19.053 904 1HB LYS 128 2HB LYS 128 4.556 16.995 18.812 905 2HB LYS 128 3HB LYS 128 4.541 17.579 17.161 906 1HG LYS 128 2HG LYS 128 5.964 19.582 18.050 907 2HG LYS 128 3HG LYS 128 6.201 18.614 19.491 908 1HD LYS 128 2HD LYS 128 7.303 16.855 18.257 909 2HD LYS 128 3HD LYS 128 6.776 17.502 16.715 910 1HE LYS 128 2HE LYS 128 8.867 18.446 16.667 911 2HE LYS 128 3HE LYS 128 8.138 19.674 17.682 912 1HZ LYS 128 1HZ LYS 128 10.122 18.838 18.679 913 2HZ LYS 128 2HZ LYS 128 8.853 18.394 19.606 914 3HZ LYS 128 3HZ LYS 128 9.579 17.299 18.637 915 H GLY 129 HN GLY 129 4.264 21.225 17.860 916 1HA GLY 129 1HA GLY 129 3.806 22.831 19.953 917 2HA GLY 129 2HA GLY 129 5.237 21.972 20.490 918 H GLY 130 HN GLY 130 6.546 21.585 17.946 919 1HA GLY 130 1HA GLY 130 7.362 24.368 17.423 920 2HA GLY 130 2HA GLY 130 8.347 22.934 17.207 921 H ASN 131 HN ASN 131 6.654 25.277 15.549 922 HA ASN 131 HA ASN 131 5.792 23.458 13.466 923 1HB ASN 131 2HB ASN 131 4.909 25.724 12.469 924 2HB ASN 131 3HB ASN 131 4.089 25.070 13.873 925 1HD2 ASN 131 1HD2 ASN 131 4.588 25.891 15.963 926 2HD2 ASN 131 2HD2 ASN 131 5.168 27.508 16.182 927 H GLU 132 HN GLU 132 7.486 22.981 12.042 928 HA GLU 132 HA GLU 132 8.511 24.647 10.281 929 1HB GLU 132 2HB GLU 132 9.591 26.168 11.688 930 2HB GLU 132 3HB GLU 132 10.013 24.948 12.872 931 1HG GLU 132 2HG GLU 132 11.687 23.981 11.285 932 2HG GLU 132 3HG GLU 132 11.260 25.192 10.093 933 H GLN 133 HN GLN 133 9.023 21.976 12.527 934 HA GLN 133 HA GLN 133 10.630 20.676 10.467 935 1HB GLN 133 2HB GLN 133 11.605 19.289 12.276 936 2HB GLN 133 3HB GLN 133 11.900 20.995 12.548 937 1HG GLN 133 2HG GLN 133 9.447 20.591 13.830 938 2HG GLN 133 3HG GLN 133 10.292 19.087 14.141 939 1HE2 GLN 133 1HE2 GLN 133 10.552 22.604 14.309 940 2HE2 GLN 133 2HE2 GLN 133 11.654 22.694 15.643 941 H SER 134 HN SER 134 7.866 20.486 12.717 942 HA SER 134 HA SER 134 7.271 17.831 11.735 943 1HB SER 134 2HB SER 134 5.357 18.048 13.469 944 2HB SER 134 3HB SER 134 6.995 17.930 14.080 945 HG SER 134 HG SER 134 5.174 20.028 14.278 946 H THR 135 HN THR 135 6.786 21.004 10.790 947 HA THR 135 HA THR 135 4.005 20.691 9.996 948 HB THR 135 HB THR 135 4.688 23.082 9.015 949 HG1 THR 135 1HG THR 135 6.792 23.500 9.551 950 1HG2 THR 135 1HG2 THR 135 4.742 22.569 12.035 951 2HG2 THR 135 2HG2 THR 135 4.394 24.123 11.242 952 3HG2 THR 135 3HG2 THR 135 3.257 22.764 11.074 953 H LYS 136 HN LYS 136 7.243 20.251 8.709 954 HA LYS 136 HA LYS 136 6.103 20.063 6.017 955 1HB LYS 136 2HB LYS 136 8.473 20.140 5.270 956 2HB LYS 136 3HB LYS 136 7.956 21.579 6.126 957 1HG LYS 136 2HG LYS 136 9.394 21.216 7.876 958 2HG LYS 136 3HG LYS 136 9.074 19.493 7.915 959 1HD LYS 136 2HD LYS 136 10.506 19.253 5.818 960 2HD LYS 136 3HD LYS 136 10.924 20.948 5.969 961 1HE LYS 136 2HE LYS 136 12.004 20.585 8.118 962 2HE LYS 136 3HE LYS 136 11.363 18.958 8.239 963 1HZ LYS 136 1HZ LYS 136 12.808 19.309 5.843 964 2HZ LYS 136 2HZ LYS 136 13.736 19.677 7.135 965 3HZ LYS 136 3HZ LYS 136 13.030 18.209 7.030 966 H THR 137 HN THR 137 7.700 18.284 8.659 967 HA THR 137 HA THR 137 7.165 15.815 7.154 968 HB THR 137 HB THR 137 9.333 14.940 8.043 969 HG1 THR 137 1HG THR 137 10.527 16.359 9.381 970 1HG2 THR 137 1HG2 THR 137 10.331 15.813 6.184 971 2HG2 THR 137 2HG2 THR 137 9.105 17.102 6.116 972 3HG2 THR 137 3HG2 THR 137 10.589 17.335 7.071 973 H GLY 138 HN GLY 138 8.673 16.062 10.364 974 1HA GLY 138 1HA GLY 138 6.429 16.043 11.979 975 2HA GLY 138 2HA GLY 138 6.684 14.376 11.500 976 H ASN 139 HN ASN 139 9.179 16.946 12.003 977 HA ASN 139 HA ASN 139 10.948 17.012 13.257 978 1HB ASN 139 2HB ASN 139 9.237 17.306 15.070 979 2HB ASN 139 3HB ASN 139 9.178 15.570 15.302 980 1HD2 ASN 139 1HD2 ASN 139 10.271 14.870 16.956 981 2HD2 ASN 139 2HD2 ASN 139 11.737 15.522 17.608 982 H ALA 140 HN ALA 140 10.298 14.481 11.622 983 HA ALA 140 HA ALA 140 12.545 12.970 12.402 984 1HB ALA 140 1HB ALA 140 10.139 11.241 12.642 985 2HB ALA 140 2HB ALA 140 11.670 11.206 13.550 986 3HB ALA 140 3HB ALA 140 10.403 12.378 13.986 987 H GLY 141 HN GLY 141 12.591 13.924 10.097 988 1HA GLY 141 1HA GLY 141 10.984 12.381 8.196 989 2HA GLY 141 2HA GLY 141 11.957 13.799 7.861 990 H SER 142 HN SER 142 12.000 10.277 8.420 991 HA SER 142 HA SER 142 14.604 10.255 7.132 992 1HB SER 142 2HB SER 142 14.063 9.480 9.852 993 2HB SER 142 3HB SER 142 14.433 8.023 8.951 994 HG SER 142 HG SER 142 16.076 10.397 8.794 995 H ARG 143 HN ARG 143 13.458 9.703 5.159 996 HA ARG 143 HA ARG 143 11.497 8.016 4.754 997 1HB ARG 143 2HB ARG 143 13.129 9.235 3.072 998 2HB ARG 143 3HB ARG 143 13.996 7.712 3.046 999 1HG ARG 143 2HG ARG 143 11.079 7.352 2.732 1000 2HG ARG 143 3HG ARG 143 11.767 8.363 1.477 1001 1HD ARG 143 2HD ARG 143 13.450 6.003 2.038 1002 2HD ARG 143 3HD ARG 143 11.826 5.552 1.559 1003 HE ARG 143 HE ARG 143 12.524 7.519 -0.277 1004 1HH1 ARG 143 2HH2 ARG 143 13.967 4.477 0.746 1005 2HH1 ARG 143 1HH2 ARG 143 14.714 4.169 -0.787 1006 1HH2 ARG 143 2HH1 ARG 143 13.509 7.113 -2.299 1007 2HH2 ARG 143 1HH1 ARG 143 14.451 5.678 -2.530 1008 H LEU 144 HN LEU 144 11.322 5.675 4.139 1009 HA LEU 144 HA LEU 144 13.463 4.047 5.303 1010 1HB LEU 144 2HB LEU 144 10.497 3.767 5.803 1011 2HB LEU 144 3HB LEU 144 11.692 2.558 6.226 1012 HG LEU 144 HG LEU 144 11.432 5.351 7.363 1013 1HD1 LEU 144 1HD1 LEU 144 9.830 3.771 8.268 1014 2HD1 LEU 144 2HD1 LEU 144 11.132 2.607 8.615 1015 3HD1 LEU 144 3HD1 LEU 144 11.067 4.157 9.489 1016 1HD2 LEU 144 1HD2 LEU 144 13.656 5.301 7.611 1017 2HD2 LEU 144 2HD2 LEU 144 13.332 4.116 8.899 1018 3HD2 LEU 144 3HD2 LEU 144 13.759 3.559 7.263 1019 H ALA 145 HN ALA 145 10.492 2.522 4.306 1020 HA ALA 145 HA ALA 145 11.898 1.386 2.043 1021 1HB ALA 145 1HB ALA 145 10.794 -0.225 3.367 1022 2HB ALA 145 2HB ALA 145 9.341 0.787 3.551 1023 3HB ALA 145 3HB ALA 145 9.695 0.012 1.988 1024 H CYS 146 HN CYS 146 10.295 0.971 0.040 1025 HA CYS 146 HA CYS 146 8.653 3.301 -0.441 1026 1HB CYS 146 2HB CYS 146 9.788 3.696 -2.651 1027 2HB CYS 146 3HB CYS 146 10.653 4.229 -1.223 1028 H GLY 147 HN GLY 147 7.213 1.284 -0.138 1029 1HA GLY 147 1HA GLY 147 7.308 -0.809 -2.059 1030 2HA GLY 147 2HA GLY 147 6.000 -0.434 -0.954 1031 H VAL 148 HN VAL 148 7.596 1.030 -3.883 1032 HA VAL 148 HA VAL 148 5.373 2.498 -4.677 1033 HB VAL 148 HB VAL 148 7.896 1.514 -5.918 1034 1HG1 VAL 148 1HG1 VAL 148 5.570 2.666 -7.487 1035 2HG1 VAL 148 2HG1 VAL 148 7.250 2.644 -8.074 1036 3HG1 VAL 148 3HG1 VAL 148 6.401 1.114 -7.749 1037 1HG2 VAL 148 1HG2 VAL 148 6.619 4.244 -5.547 1038 2HG2 VAL 148 2HG2 VAL 148 7.960 3.547 -4.607 1039 3HG2 VAL 148 3HG2 VAL 148 8.195 3.956 -6.323 1040 H ILE 149 HN ILE 149 3.386 1.790 -5.239 1041 HA ILE 149 HA ILE 149 2.840 -0.903 -5.730 1042 HB ILE 149 HB ILE 149 1.357 1.675 -5.949 1043 1HG1 ILE 149 2HG1 ILE 149 -0.188 0.190 -4.437 1044 2HG1 ILE 149 3HG1 ILE 149 1.232 -0.825 -4.283 1045 1HG2 ILE 149 1HG2 ILE 149 0.139 0.931 -7.670 1046 2HG2 ILE 149 2HG2 ILE 149 0.752 -0.733 -7.512 1047 3HG2 ILE 149 3HG2 ILE 149 -0.594 -0.180 -6.487 1048 1HD1 ILE 149 1HD1 ILE 149 1.103 2.160 -3.650 1049 2HD1 ILE 149 2HD1 ILE 149 1.168 0.837 -2.462 1050 3HD1 ILE 149 3HD1 ILE 149 2.563 1.150 -3.522 1051 H GLY 150 HN GLY 150 3.403 -2.114 -7.449 1052 1HA GLY 150 1HA GLY 150 3.436 -0.782 -10.091 1053 2HA GLY 150 2HA GLY 150 4.692 -1.890 -9.576 1054 H ILE 151 HN ILE 151 2.247 -1.808 -11.652 1055 HA ILE 151 HA ILE 151 0.396 -3.681 -11.156 1056 HB ILE 151 HB ILE 151 1.968 -3.115 -13.659 1057 1HG1 ILE 151 2HG1 ILE 151 0.509 -1.335 -12.645 1058 2HG1 ILE 151 3HG1 ILE 151 0.120 -1.775 -14.296 1059 1HG2 ILE 151 1HG2 ILE 151 0.006 -4.270 -14.821 1060 2HG2 ILE 151 2HG2 ILE 151 1.237 -5.308 -14.062 1061 3HG2 ILE 151 3HG2 ILE 151 -0.322 -5.036 -13.248 1062 1HD1 ILE 151 1HD1 ILE 151 -1.983 -1.687 -13.166 1063 2HD1 ILE 151 2HD1 ILE 151 -1.610 -3.423 -13.299 1064 3HD1 ILE 151 3HD1 ILE 151 -1.351 -2.573 -11.757 1065 H ALA 152 HN ALA 152 0.181 -5.977 -11.363 1066 HA ALA 152 HA ALA 152 2.730 -7.347 -10.893 1067 1HB ALA 152 1HB ALA 152 0.340 -7.307 -9.455 1068 2HB ALA 152 2HB ALA 152 0.264 -8.841 -10.354 1069 3HB ALA 152 3HB ALA 152 1.648 -8.503 -9.287 1070 H GLN 153 HN GLN 153 2.495 -9.824 -11.627 1071 HA GLN 153 HA GLN 153 2.477 -9.753 -14.381 1072 1HB GLN 153 2HB GLN 153 3.518 -11.454 -12.643 1073 2HB GLN 153 3HB GLN 153 2.009 -12.321 -12.850 1074 1HG GLN 153 2HG GLN 153 2.499 -12.026 -15.440 1075 2HG GLN 153 3HG GLN 153 4.145 -11.728 -14.917 1076 1HE2 GLN 153 1HE2 GLN 153 1.442 -13.995 -14.690 1077 2HE2 GLN 153 2HE2 GLN 153 2.370 -15.442 -14.479 Start of MODEL 15 1 1H ALA 1 HN ALA 1 -9.802 -9.218 -14.800 2 HA ALA 1 HA ALA 1 -9.042 -7.166 -15.124 3 1HB ALA 1 1HB ALA 1 -10.601 -6.719 -13.181 4 2HB ALA 1 2HB ALA 1 -9.184 -6.810 -12.107 5 3HB ALA 1 3HB ALA 1 -9.275 -5.544 -13.355 6 H THR 2 HN THR 2 -7.394 -5.960 -12.609 7 HA THR 2 HA THR 2 -4.940 -7.487 -13.125 8 HB THR 2 HB THR 2 -5.491 -4.520 -13.544 9 HG1 THR 2 1HG THR 2 -3.957 -6.623 -14.901 10 1HG2 THR 2 1HG2 THR 2 -3.461 -4.420 -12.239 11 2HG2 THR 2 2HG2 THR 2 -2.846 -5.929 -12.955 12 3HG2 THR 2 3HG2 THR 2 -2.923 -4.446 -13.936 13 H LYS 3 HN LYS 3 -3.255 -7.168 -11.490 14 HA LYS 3 HA LYS 3 -4.260 -6.045 -8.996 15 1HB LYS 3 2HB LYS 3 -4.890 -8.440 -8.994 16 2HB LYS 3 3HB LYS 3 -3.212 -8.881 -9.238 17 1HG LYS 3 2HG LYS 3 -2.839 -7.312 -7.088 18 2HG LYS 3 3HG LYS 3 -4.526 -7.686 -6.797 19 1HD LYS 3 2HD LYS 3 -3.470 -9.447 -5.667 20 2HD LYS 3 3HD LYS 3 -3.795 -10.189 -7.220 21 1HE LYS 3 2HE LYS 3 -1.514 -9.845 -7.971 22 2HE LYS 3 3HE LYS 3 -1.160 -8.772 -6.631 23 1HZ LYS 3 1HZ LYS 3 -1.757 -10.799 -5.222 24 2HZ LYS 3 2HZ LYS 3 -1.517 -11.665 -6.586 25 3HZ LYS 3 3HZ LYS 3 -0.302 -10.770 -5.962 26 H ALA 4 HN ALA 4 -2.786 -4.506 -8.527 27 HA ALA 4 HA ALA 4 -0.074 -4.828 -9.461 28 1HB ALA 4 1HB ALA 4 -0.330 -2.531 -7.826 29 2HB ALA 4 2HB ALA 4 -0.330 -2.600 -9.604 30 3HB ALA 4 3HB ALA 4 -1.867 -2.677 -8.711 31 H VAL 5 HN VAL 5 1.737 -4.224 -7.818 32 HA VAL 5 HA VAL 5 1.129 -5.206 -5.147 33 HB VAL 5 HB VAL 5 3.474 -6.341 -6.639 34 1HG1 VAL 5 1HG1 VAL 5 2.133 -6.743 -4.039 35 2HG1 VAL 5 2HG1 VAL 5 2.573 -8.242 -4.891 36 3HG1 VAL 5 3HG1 VAL 5 3.823 -7.030 -4.520 37 1HG2 VAL 5 1HG2 VAL 5 0.716 -7.607 -6.540 38 2HG2 VAL 5 2HG2 VAL 5 1.437 -6.840 -7.976 39 3HG2 VAL 5 3HG2 VAL 5 2.185 -8.295 -7.273 40 H ALA 6 HN ALA 6 2.942 -4.726 -3.613 41 HA ALA 6 HA ALA 6 4.931 -2.870 -4.575 42 1HB ALA 6 1HB ALA 6 2.480 -2.047 -3.069 43 2HB ALA 6 2HB ALA 6 4.026 -1.315 -2.575 44 3HB ALA 6 3HB ALA 6 3.453 -1.140 -4.251 45 H VAL 7 HN VAL 7 6.474 -4.379 -3.849 46 HA VAL 7 HA VAL 7 6.279 -5.339 -1.134 47 HB VAL 7 HB VAL 7 8.464 -6.434 -1.771 48 1HG1 VAL 7 1HG1 VAL 7 7.352 -8.049 -3.358 49 2HG1 VAL 7 2HG1 VAL 7 6.443 -7.714 -1.865 50 3HG1 VAL 7 3HG1 VAL 7 5.955 -6.947 -3.395 51 1HG2 VAL 7 1HG2 VAL 7 8.483 -4.580 -3.823 52 2HG2 VAL 7 2HG2 VAL 7 9.505 -6.034 -3.719 53 3HG2 VAL 7 3HG2 VAL 7 7.984 -6.079 -4.643 54 H LEU 8 HN LEU 8 6.520 -3.618 0.290 55 HA LEU 8 HA LEU 8 8.024 -1.406 0.042 56 1HB LEU 8 2HB LEU 8 7.271 -3.107 2.384 57 2HB LEU 8 3HB LEU 8 8.352 -1.749 2.629 58 HG LEU 8 HG LEU 8 6.052 -1.136 3.122 59 1HD1 LEU 8 1HD1 LEU 8 6.084 0.533 0.822 60 2HD1 LEU 8 2HD1 LEU 8 6.618 0.906 2.478 61 3HD1 LEU 8 3HD1 LEU 8 7.772 0.234 1.301 62 1HD2 LEU 8 1HD2 LEU 8 4.914 -2.736 1.659 63 2HD2 LEU 8 2HD2 LEU 8 4.316 -1.079 1.408 64 3HD2 LEU 8 3HD2 LEU 8 5.435 -1.809 0.232 65 H LYS 9 HN LYS 9 10.170 -0.758 0.286 66 HA LYS 9 HA LYS 9 12.085 -2.837 -0.165 67 1HB LYS 9 2HB LYS 9 12.216 -0.744 -1.398 68 2HB LYS 9 3HB LYS 9 12.353 0.172 0.090 69 1HG LYS 9 2HG LYS 9 14.608 -0.020 -0.301 70 2HG LYS 9 3HG LYS 9 14.410 -1.582 0.468 71 1HD LYS 9 2HD LYS 9 15.311 -2.429 -1.452 72 2HD LYS 9 3HD LYS 9 13.711 -2.200 -2.130 73 1HE LYS 9 2HE LYS 9 14.587 0.280 -2.593 74 2HE LYS 9 3HE LYS 9 16.169 -0.460 -2.442 75 1HZ LYS 9 1HZ LYS 9 15.342 -0.488 -4.703 76 2HZ LYS 9 2HZ LYS 9 15.568 -2.009 -4.153 77 3HZ LYS 9 3HZ LYS 9 14.058 -1.396 -4.261 78 H GLY 10 HN GLY 10 11.949 -0.141 2.273 79 1HA GLY 10 1HA GLY 10 12.506 -0.101 4.451 80 2HA GLY 10 2HA GLY 10 12.238 -1.832 4.506 81 H ASP 11 HN ASP 11 14.555 0.589 4.881 82 HA ASP 11 HA ASP 11 16.796 -0.348 3.689 83 1HB ASP 11 2HB ASP 11 16.128 1.533 5.698 84 2HB ASP 11 3HB ASP 11 17.318 0.493 6.457 85 H GLY 12 HN GLY 12 14.864 -1.760 6.237 86 1HA GLY 12 1HA GLY 12 15.986 -4.223 6.302 87 2HA GLY 12 2HA GLY 12 16.962 -3.325 7.447 88 HA PRO 13 HA PRO 13 13.687 -3.284 10.337 89 1HB PRO 13 2HB PRO 13 13.093 -0.706 11.023 90 2HB PRO 13 3HB PRO 13 14.501 -1.558 11.625 91 1HG PRO 13 2HG PRO 13 14.354 0.554 9.562 92 2HG PRO 13 3HG PRO 13 15.748 0.001 10.470 93 1HD PRO 13 2HD PRO 13 15.115 -0.629 7.744 94 2HD PRO 13 3HD PRO 13 16.444 -1.273 8.687 95 H VAL 14 HN VAL 14 12.997 -2.551 7.327 96 HA VAL 14 HA VAL 14 10.143 -2.643 7.918 97 HB VAL 14 HB VAL 14 11.612 -0.506 6.436 98 1HG1 VAL 14 1HG1 VAL 14 8.907 -1.621 5.681 99 2HG1 VAL 14 2HG1 VAL 14 9.346 0.074 5.362 100 3HG1 VAL 14 3HG1 VAL 14 10.295 -1.243 4.632 101 1HG2 VAL 14 1HG2 VAL 14 10.848 0.070 8.626 102 2HG2 VAL 14 2HG2 VAL 14 9.765 0.876 7.466 103 3HG2 VAL 14 3HG2 VAL 14 9.229 -0.598 8.308 104 H GLN 15 HN GLN 15 8.879 -3.560 6.150 105 HA GLN 15 HA GLN 15 9.920 -4.305 3.744 106 1HB GLN 15 2HB GLN 15 11.152 -5.840 5.722 107 2HB GLN 15 3HB GLN 15 9.861 -6.890 5.174 108 1HG GLN 15 2HG GLN 15 10.990 -5.730 2.817 109 2HG GLN 15 3HG GLN 15 12.345 -6.198 3.824 110 1HE2 GLN 15 1HE2 GLN 15 9.084 -7.561 3.410 111 2HE2 GLN 15 2HE2 GLN 15 9.568 -9.156 2.939 112 H GLY 16 HN GLY 16 7.545 -3.262 4.288 113 1HA GLY 16 1HA GLY 16 5.510 -5.162 4.940 114 2HA GLY 16 2HA GLY 16 5.300 -3.535 4.322 115 H ILE 17 HN ILE 17 3.580 -5.389 3.326 116 HA ILE 17 HA ILE 17 4.496 -5.601 0.574 117 HB ILE 17 HB ILE 17 3.517 -7.920 2.232 118 1HG1 ILE 17 2HG1 ILE 17 5.971 -7.789 0.480 119 2HG1 ILE 17 3HG1 ILE 17 6.002 -7.230 2.140 120 1HG2 ILE 17 1HG2 ILE 17 4.009 -8.888 -0.313 121 2HG2 ILE 17 2HG2 ILE 17 2.413 -8.626 0.430 122 3HG2 ILE 17 3HG2 ILE 17 3.129 -7.369 -0.607 123 1HD1 ILE 17 1HD1 ILE 17 5.804 -10.004 1.079 124 2HD1 ILE 17 2HD1 ILE 17 6.510 -9.416 2.603 125 3HD1 ILE 17 3HD1 ILE 17 4.751 -9.652 2.470 126 H ILE 18 HN ILE 18 3.075 -4.205 -0.353 127 HA ILE 18 HA ILE 18 0.269 -4.473 0.467 128 HB ILE 18 HB ILE 18 0.537 -2.305 0.878 129 1HG1 ILE 18 2HG1 ILE 18 0.070 -0.826 -1.013 130 2HG1 ILE 18 3HG1 ILE 18 0.538 -2.079 -2.146 131 1HG2 ILE 18 1HG2 ILE 18 2.868 -2.177 -1.054 132 2HG2 ILE 18 2HG2 ILE 18 2.359 -0.902 0.079 133 3HG2 ILE 18 3HG2 ILE 18 2.982 -2.450 0.701 134 1HD1 ILE 18 1HD1 ILE 18 -1.383 -3.236 -0.347 135 2HD1 ILE 18 2HD1 ILE 18 -2.024 -1.671 -0.901 136 3HD1 ILE 18 3HD1 ILE 18 -1.562 -2.914 -2.088 137 H ASN 19 HN ASN 19 -1.265 -5.046 -1.033 138 HA ASN 19 HA ASN 19 -0.240 -5.379 -3.744 139 1HB ASN 19 2HB ASN 19 -2.562 -7.070 -3.041 140 2HB ASN 19 3HB ASN 19 -1.050 -7.532 -3.798 141 1HD2 ASN 19 1HD2 ASN 19 -2.860 -8.369 -1.393 142 2HD2 ASN 19 2HD2 ASN 19 -1.731 -8.728 -0.130 143 H PHE 20 HN PHE 20 -1.740 -4.783 -5.454 144 HA PHE 20 HA PHE 20 -4.064 -3.286 -4.479 145 1HB PHE 20 2HB PHE 20 -1.987 -3.032 -6.649 146 2HB PHE 20 3HB PHE 20 -3.607 -2.573 -7.133 147 HD1 PHE 20 1HD PHE 20 -1.891 -2.094 -3.859 148 HD2 PHE 20 2HD PHE 20 -3.565 -0.259 -7.300 149 HE1 PHE 20 1HE PHE 20 -1.563 0.164 -2.814 150 HE2 PHE 20 2HE PHE 20 -3.237 1.999 -6.254 151 HZ PHE 20 HZ PHE 20 -2.240 2.184 -4.024 152 H GLU 21 HN GLU 21 -6.115 -3.785 -5.207 153 HA GLU 21 HA GLU 21 -6.239 -5.798 -7.310 154 1HB GLU 21 2HB GLU 21 -6.659 -6.592 -4.834 155 2HB GLU 21 3HB GLU 21 -8.206 -5.788 -5.007 156 1HG GLU 21 2HG GLU 21 -7.138 -8.184 -6.515 157 2HG GLU 21 3HG GLU 21 -8.679 -7.998 -5.702 158 H GLN 22 HN GLN 22 -7.560 -5.222 -8.994 159 HA GLN 22 HA GLN 22 -9.723 -3.392 -8.406 160 1HB GLN 22 2HB GLN 22 -7.973 -1.877 -9.110 161 2HB GLN 22 3HB GLN 22 -7.530 -2.904 -10.460 162 1HG GLN 22 2HG GLN 22 -10.327 -2.355 -10.746 163 2HG GLN 22 3HG GLN 22 -9.564 -0.830 -10.343 164 1HE2 GLN 22 1HE2 GLN 22 -9.051 0.303 -12.039 165 2HE2 GLN 22 2HE2 GLN 22 -8.448 -0.276 -13.556 166 H LYS 23 HN LYS 23 -11.130 -5.212 -8.734 167 HA LYS 23 HA LYS 23 -10.970 -6.568 -11.285 168 1HB LYS 23 2HB LYS 23 -12.210 -7.049 -8.656 169 2HB LYS 23 3HB LYS 23 -13.222 -7.507 -10.011 170 1HG LYS 23 2HG LYS 23 -11.294 -8.814 -10.977 171 2HG LYS 23 3HG LYS 23 -10.331 -8.396 -9.574 172 1HD LYS 23 2HD LYS 23 -11.171 -10.247 -8.563 173 2HD LYS 23 3HD LYS 23 -12.702 -9.402 -8.451 174 1HE LYS 23 2HE LYS 23 -13.543 -10.403 -10.456 175 2HE LYS 23 3HE LYS 23 -11.947 -10.881 -10.996 176 1HZ LYS 23 1HZ LYS 23 -12.595 -11.979 -8.466 177 2HZ LYS 23 2HZ LYS 23 -13.670 -12.423 -9.613 178 3HZ LYS 23 3HZ LYS 23 -12.080 -12.731 -9.821 179 H GLU 24 HN GLU 24 -11.329 -3.861 -11.714 180 HA GLU 24 HA GLU 24 -13.876 -3.939 -12.994 181 1HB GLU 24 2HB GLU 24 -13.356 -2.189 -10.608 182 2HB GLU 24 3HB GLU 24 -14.248 -1.480 -11.939 183 1HG GLU 24 2HG GLU 24 -16.123 -2.554 -11.263 184 2HG GLU 24 3HG GLU 24 -15.341 -4.099 -11.534 185 H SER 25 HN SER 25 -13.875 -2.677 -14.881 186 HA SER 25 HA SER 25 -11.319 -1.689 -15.623 187 1HB SER 25 2HB SER 25 -13.231 -2.884 -17.047 188 2HB SER 25 3HB SER 25 -13.810 -1.245 -17.272 189 HG SER 25 HG SER 25 -11.559 -0.720 -18.001 190 H ASN 26 HN ASN 26 -14.006 -0.419 -13.940 191 HA ASN 26 HA ASN 26 -12.914 2.210 -14.196 192 1HB ASN 26 2HB ASN 26 -15.436 3.046 -14.505 193 2HB ASN 26 3HB ASN 26 -14.469 2.630 -15.905 194 1HD2 ASN 26 1HD2 ASN 26 -15.621 1.597 -17.334 195 2HD2 ASN 26 2HD2 ASN 26 -16.775 0.337 -17.047 196 H GLY 27 HN GLY 27 -13.156 0.108 -12.123 197 1HA GLY 27 1HA GLY 27 -15.137 1.309 -10.287 198 2HA GLY 27 2HA GLY 27 -14.559 -0.344 -10.225 199 HA PRO 28 HA PRO 28 -11.979 2.084 -7.375 200 1HB PRO 28 2HB PRO 28 -12.460 0.641 -5.104 201 2HB PRO 28 3HB PRO 28 -13.345 2.094 -5.522 202 1HG PRO 28 2HG PRO 28 -14.224 -0.723 -5.685 203 2HG PRO 28 3HG PRO 28 -15.200 0.732 -5.685 204 1HD PRO 28 2HD PRO 28 -14.548 -0.896 -7.955 205 2HD PRO 28 3HD PRO 28 -15.425 0.622 -7.970 206 H VAL 29 HN VAL 29 -10.308 1.096 -5.594 207 HA VAL 29 HA VAL 29 -9.216 -1.304 -6.864 208 HB VAL 29 HB VAL 29 -7.740 1.271 -6.288 209 1HG1 VAL 29 1HG1 VAL 29 -6.793 -1.490 -6.402 210 2HG1 VAL 29 2HG1 VAL 29 -5.996 -0.450 -7.607 211 3HG1 VAL 29 3HG1 VAL 29 -5.950 -0.011 -5.882 212 1HG2 VAL 29 1HG2 VAL 29 -7.871 1.737 -8.475 213 2HG2 VAL 29 2HG2 VAL 29 -7.446 0.071 -8.938 214 3HG2 VAL 29 3HG2 VAL 29 -9.135 0.487 -8.560 215 H LYS 30 HN LYS 30 -9.879 -2.597 -5.118 216 HA LYS 30 HA LYS 30 -9.717 -1.897 -2.458 217 1HB LYS 30 2HB LYS 30 -9.687 -4.538 -3.913 218 2HB LYS 30 3HB LYS 30 -9.561 -4.471 -2.167 219 1HG LYS 30 2HG LYS 30 -11.670 -3.012 -2.166 220 2HG LYS 30 3HG LYS 30 -11.826 -3.349 -3.879 221 1HD LYS 30 2HD LYS 30 -13.162 -5.044 -2.974 222 2HD LYS 30 3HD LYS 30 -11.633 -5.884 -3.138 223 1HE LYS 30 2HE LYS 30 -11.242 -4.881 -0.658 224 2HE LYS 30 3HE LYS 30 -12.994 -4.883 -0.643 225 1HZ LYS 30 1HZ LYS 30 -11.435 -7.007 -0.144 226 2HZ LYS 30 2HZ LYS 30 -13.021 -7.080 -0.524 227 3HZ LYS 30 3HZ LYS 30 -11.892 -7.288 -1.686 228 H VAL 31 HN VAL 31 -7.854 -0.812 -1.823 229 HA VAL 31 HA VAL 31 -5.317 -2.166 -2.316 230 HB VAL 31 HB VAL 31 -5.993 0.580 -1.244 231 1HG1 VAL 31 1HG1 VAL 31 -3.289 -0.597 -1.973 232 2HG1 VAL 31 2HG1 VAL 31 -3.605 1.078 -1.459 233 3HG1 VAL 31 3HG1 VAL 31 -3.871 -0.267 -0.323 234 1HG2 VAL 31 1HG2 VAL 31 -6.110 1.270 -3.361 235 2HG2 VAL 31 2HG2 VAL 31 -4.516 0.564 -3.718 236 3HG2 VAL 31 3HG2 VAL 31 -5.985 -0.425 -3.890 237 H TRP 32 HN TRP 32 -4.244 -3.280 -0.748 238 HA TRP 32 HA TRP 32 -4.651 -2.672 2.014 239 1HB TRP 32 2HB TRP 32 -5.696 -4.638 2.745 240 2HB TRP 32 3HB TRP 32 -6.687 -4.016 1.441 241 HD1 TRP 32 HD1 TRP 32 -4.395 -6.990 2.270 242 HE1 TRP 32 HE1 TRP 32 -4.684 -8.945 0.521 243 HE3 TRP 32 HE3 TRP 32 -7.323 -4.373 -0.960 244 HZ2 TRP 32 HZ2 TRP 32 -6.074 -9.172 -1.961 245 HZ3 TRP 32 HZ3 TRP 32 -8.103 -5.535 -3.022 246 HH2 TRP 32 HH2 TRP 32 -7.524 -7.851 -3.546 247 H GLY 33 HN GLY 33 -2.881 -3.470 3.221 248 1HA GLY 33 1HA GLY 33 -1.116 -5.433 1.984 249 2HA GLY 33 2HA GLY 33 -0.467 -3.817 2.180 250 H SER 34 HN SER 34 1.100 -5.098 3.613 251 HA SER 34 HA SER 34 0.225 -4.742 6.302 252 1HB SER 34 2HB SER 34 0.907 -7.064 7.010 253 2HB SER 34 3HB SER 34 -0.546 -7.019 6.032 254 HG SER 34 HG SER 34 0.889 -8.696 5.314 255 H ILE 35 HN ILE 35 1.930 -3.749 7.318 256 HA ILE 35 HA ILE 35 4.515 -3.857 6.038 257 HB ILE 35 HB ILE 35 3.071 -2.089 7.856 258 1HG1 ILE 35 2HG1 ILE 35 5.393 -0.989 6.511 259 2HG1 ILE 35 3HG1 ILE 35 4.448 -1.967 5.405 260 1HG2 ILE 35 1HG2 ILE 35 4.963 -1.240 9.080 261 2HG2 ILE 35 2HG2 ILE 35 4.779 -2.977 9.425 262 3HG2 ILE 35 3HG2 ILE 35 6.048 -2.420 8.307 263 1HD1 ILE 35 1HD1 ILE 35 3.658 0.530 6.889 264 2HD1 ILE 35 2HD1 ILE 35 3.324 0.060 5.206 265 3HD1 ILE 35 3HD1 ILE 35 2.392 -0.670 6.536 266 H LYS 36 HN LYS 36 6.509 -4.132 7.488 267 HA LYS 36 HA LYS 36 6.106 -5.813 9.784 268 1HB LYS 36 2HB LYS 36 7.467 -6.968 7.332 269 2HB LYS 36 3HB LYS 36 7.339 -7.733 8.903 270 1HG LYS 36 2HG LYS 36 4.804 -7.590 8.690 271 2HG LYS 36 3HG LYS 36 5.022 -6.999 7.055 272 1HD LYS 36 2HD LYS 36 6.500 -9.155 6.717 273 2HD LYS 36 3HD LYS 36 5.717 -9.735 8.173 274 1HE LYS 36 2HE LYS 36 3.470 -9.100 6.989 275 2HE LYS 36 3HE LYS 36 4.421 -8.999 5.520 276 1HZ LYS 36 1HZ LYS 36 4.951 -11.361 7.003 277 2HZ LYS 36 2HZ LYS 36 3.383 -11.250 6.560 278 3HZ LYS 36 3HZ LYS 36 4.559 -11.191 5.427 279 H GLY 37 HN GLY 37 7.527 -5.056 11.249 280 1HA GLY 37 1HA GLY 37 9.953 -4.924 11.682 281 2HA GLY 37 2HA GLY 37 10.080 -3.970 10.218 282 H LEU 38 HN LEU 38 7.453 -2.564 10.695 283 HA LEU 38 HA LEU 38 8.427 -0.330 11.997 284 1HB LEU 38 2HB LEU 38 5.913 -1.259 10.856 285 2HB LEU 38 3HB LEU 38 5.664 -0.210 12.238 286 HG LEU 38 HG LEU 38 7.423 0.531 9.888 287 1HD1 LEU 38 1HD1 LEU 38 5.521 0.627 8.707 288 2HD1 LEU 38 2HD1 LEU 38 4.493 0.562 10.159 289 3HD1 LEU 38 3HD1 LEU 38 5.208 2.108 9.643 290 1HD2 LEU 38 1HD2 LEU 38 6.963 2.860 10.782 291 2HD2 LEU 38 2HD2 LEU 38 6.330 2.070 12.247 292 3HD2 LEU 38 3HD2 LEU 38 8.027 1.827 11.767 293 H THR 39 HN THR 39 6.467 0.456 13.880 294 HA THR 39 HA THR 39 6.665 -1.564 15.991 295 HB THR 39 HB THR 39 7.405 0.423 17.502 296 HG1 THR 39 1HG THR 39 6.960 2.086 15.921 297 1HG2 THR 39 1HG2 THR 39 9.468 -0.071 15.332 298 2HG2 THR 39 2HG2 THR 39 9.705 0.044 17.092 299 3HG2 THR 39 3HG2 THR 39 8.976 -1.418 16.386 300 H GLU 40 HN GLU 40 5.033 -1.490 17.553 301 HA GLU 40 HA GLU 40 2.598 -0.672 16.645 302 1HB GLU 40 2HB GLU 40 2.839 -2.350 18.396 303 2HB GLU 40 3HB GLU 40 3.567 -1.188 19.487 304 1HG GLU 40 2HG GLU 40 0.882 -0.430 18.404 305 2HG GLU 40 3HG GLU 40 0.897 -1.810 19.483 306 H GLY 41 HN GLY 41 2.348 1.463 15.967 307 1HA GLY 41 1HA GLY 41 1.870 3.434 17.939 308 2HA GLY 41 2HA GLY 41 3.432 3.712 17.195 309 H LEU 42 HN LEU 42 1.753 5.718 16.739 310 HA LEU 42 HA LEU 42 0.285 5.178 14.286 311 1HB LEU 42 2HB LEU 42 0.425 7.562 16.130 312 2HB LEU 42 3HB LEU 42 -0.449 7.565 14.611 313 HG LEU 42 HG LEU 42 -1.159 5.307 16.353 314 1HD1 LEU 42 1HD1 LEU 42 -1.266 6.410 18.287 315 2HD1 LEU 42 2HD1 LEU 42 -1.003 7.986 17.504 316 3HD1 LEU 42 3HD1 LEU 42 -2.640 7.292 17.580 317 1HD2 LEU 42 1HD2 LEU 42 -3.093 7.369 15.385 318 2HD2 LEU 42 2HD2 LEU 42 -2.264 6.345 14.187 319 3HD2 LEU 42 3HD2 LEU 42 -3.246 5.598 15.469 320 H HIS 43 HN HIS 43 1.034 5.682 12.284 321 HA HIS 43 HA HIS 43 3.380 7.432 12.193 322 1HB HIS 43 2HB HIS 43 3.372 5.522 10.030 323 2HB HIS 43 3HB HIS 43 4.625 5.880 11.201 324 HD1 HIS 43 HD1 HIS 43 2.541 3.174 10.118 325 HD2 HIS 43 HD2 HIS 43 3.985 4.467 13.838 326 HE1 HIS 43 HE1 HIS 43 2.358 1.173 11.690 327 H GLY 44 HN GLY 44 3.581 8.730 10.244 328 1HA GLY 44 1HA GLY 44 1.208 9.878 9.378 329 2HA GLY 44 2HA GLY 44 2.771 10.029 8.601 330 H PHE 45 HN PHE 45 1.424 10.081 6.571 331 HA PHE 45 HA PHE 45 0.330 7.491 5.835 332 1HB PHE 45 2HB PHE 45 -0.481 10.097 5.460 333 2HB PHE 45 3HB PHE 45 0.478 9.902 4.007 334 HD1 PHE 45 1HD PHE 45 -0.884 9.578 2.184 335 HD2 PHE 45 2HD PHE 45 -1.888 7.649 5.828 336 HE1 PHE 45 1HE PHE 45 -2.823 8.453 1.055 337 HE2 PHE 45 2HE PHE 45 -3.827 6.525 4.699 338 HZ PHE 45 HZ PHE 45 -4.272 6.941 2.326 339 H HIS 46 HN HIS 46 0.732 6.994 3.322 340 HA HIS 46 HA HIS 46 3.614 7.302 2.887 341 1HB HIS 46 2HB HIS 46 2.893 4.974 1.570 342 2HB HIS 46 3HB HIS 46 3.775 5.095 3.079 343 HD1 HIS 46 HD1 HIS 46 2.833 3.300 4.546 344 HD2 HIS 46 HD2 HIS 46 -0.166 5.445 2.547 345 HE1 HIS 46 HE1 HIS 46 0.610 2.414 5.431 346 H VAL 47 HN VAL 47 2.874 9.302 1.719 347 HA VAL 47 HA VAL 47 2.451 8.625 -1.051 348 HB VAL 47 HB VAL 47 0.539 10.488 0.365 349 1HG1 VAL 47 1HG1 VAL 47 -0.375 10.978 -1.656 350 2HG1 VAL 47 2HG1 VAL 47 1.256 10.563 -2.238 351 3HG1 VAL 47 3HG1 VAL 47 -0.052 9.358 -2.320 352 1HG2 VAL 47 1HG2 VAL 47 -1.179 8.741 -0.047 353 2HG2 VAL 47 2HG2 VAL 47 0.108 7.636 -0.585 354 3HG2 VAL 47 3HG2 VAL 47 0.081 8.219 1.097 355 H HIS 48 HN HIS 48 4.601 9.410 -1.292 356 HA HIS 48 HA HIS 48 4.727 12.321 -1.081 357 1HB HIS 48 2HB HIS 48 7.147 10.636 -0.495 358 2HB HIS 48 3HB HIS 48 6.849 12.318 -0.103 359 HD1 HIS 48 HD1 HIS 48 4.046 11.954 1.301 360 HD2 HIS 48 HD2 HIS 48 7.457 9.634 2.058 361 HE1 HIS 48 HE1 HIS 48 3.745 10.983 3.642 362 H GLU 49 HN GLU 49 4.054 12.121 -3.379 363 HA GLU 49 HA GLU 49 6.239 12.350 -5.044 364 1HB GLU 49 2HB GLU 49 6.310 10.361 -6.316 365 2HB GLU 49 3HB GLU 49 6.180 9.784 -4.667 366 1HG GLU 49 2HG GLU 49 3.817 10.129 -6.574 367 2HG GLU 49 3HG GLU 49 4.619 8.604 -6.250 368 H GLU 50 HN GLU 50 5.302 12.053 -7.551 369 HA GLU 50 HA GLU 50 2.600 12.372 -7.935 370 1HB GLU 50 2HB GLU 50 3.582 14.654 -6.703 371 2HB GLU 50 3HB GLU 50 3.684 15.095 -8.396 372 1HG GLU 50 2HG GLU 50 1.477 15.714 -7.430 373 2HG GLU 50 3HG GLU 50 1.300 14.553 -8.730 374 H GLU 51 HN GLU 51 2.097 12.955 -10.230 375 HA GLU 51 HA GLU 51 2.570 13.210 -12.366 376 1HB GLU 51 2HB GLU 51 4.892 14.271 -11.320 377 2HB GLU 51 3HB GLU 51 5.529 12.928 -12.249 378 1HG GLU 51 2HG GLU 51 4.031 13.776 -14.199 379 2HG GLU 51 3HG GLU 51 3.819 15.238 -13.256 380 H ASP 52 HN ASP 52 4.897 11.000 -10.669 381 HA ASP 52 HA ASP 52 5.368 8.901 -10.936 382 1HB ASP 52 2HB ASP 52 2.572 9.025 -12.019 383 2HB ASP 52 3HB ASP 52 3.482 7.579 -12.406 384 H ASN 53 HN ASN 53 6.263 7.340 -12.566 385 HA ASN 53 HA ASN 53 5.911 7.584 -15.263 386 1HB ASN 53 2HB ASN 53 7.710 9.623 -14.156 387 2HB ASN 53 3HB ASN 53 8.587 8.578 -15.256 388 1HD2 ASN 53 1HD2 ASN 53 8.586 10.872 -16.227 389 2HD2 ASN 53 2HD2 ASN 53 7.383 11.198 -17.429 390 H THR 54 HN THR 54 8.148 7.068 -12.500 391 HA THR 54 HA THR 54 8.944 4.514 -13.705 392 HB THR 54 HB THR 54 10.630 6.619 -13.856 393 HG1 THR 54 1HG THR 54 10.845 4.195 -14.311 394 1HG2 THR 54 1HG2 THR 54 11.209 5.339 -11.132 395 2HG2 THR 54 2HG2 THR 54 12.248 6.510 -11.978 396 3HG2 THR 54 3HG2 THR 54 10.655 7.014 -11.365 397 H ALA 55 HN ALA 55 8.742 6.596 -10.769 398 HA ALA 55 HA ALA 55 7.369 4.879 -9.220 399 1HB ALA 55 1HB ALA 55 8.848 3.084 -9.268 400 2HB ALA 55 2HB ALA 55 10.284 4.132 -9.357 401 3HB ALA 55 3HB ALA 55 9.410 3.949 -7.817 402 H GLY 56 HN GLY 56 10.644 6.047 -8.263 403 1HA GLY 56 1HA GLY 56 10.504 8.569 -7.655 404 2HA GLY 56 2HA GLY 56 9.333 7.986 -6.489 405 H CYS 57 HN CYS 57 10.023 7.029 -4.573 406 HA CYS 57 HA CYS 57 11.467 6.752 -2.915 407 1HB CYS 57 2HB CYS 57 11.418 4.567 -4.245 408 2HB CYS 57 3HB CYS 57 13.005 5.014 -4.841 409 H THR 58 HN THR 58 11.969 9.175 -4.280 410 HA THR 58 HA THR 58 14.858 9.264 -4.703 411 HB THR 58 HB THR 58 12.447 10.769 -5.576 412 HG1 THR 58 1HG THR 58 13.662 10.065 -7.290 413 1HG2 THR 58 1HG2 THR 58 15.094 12.231 -5.081 414 2HG2 THR 58 2HG2 THR 58 13.655 12.894 -5.894 415 3HG2 THR 58 3HG2 THR 58 13.604 12.526 -4.153 416 H SER 59 HN SER 59 12.354 11.100 -2.819 417 HA SER 59 HA SER 59 12.444 12.037 -0.864 418 1HB SER 59 2HB SER 59 14.997 10.469 -0.298 419 2HB SER 59 3HB SER 59 13.927 11.185 0.892 420 HG SER 59 HG SER 59 13.780 8.730 0.138 421 H ALA 60 HN ALA 60 12.833 14.162 -1.650 422 HA ALA 60 HA ALA 60 15.391 15.236 -0.938 423 1HB ALA 60 1HB ALA 60 16.346 15.285 -2.969 424 2HB ALA 60 2HB ALA 60 14.970 14.366 -3.626 425 3HB ALA 60 3HB ALA 60 14.934 16.146 -3.628 426 H GLY 61 HN GLY 61 12.306 15.744 -2.779 427 1HA GLY 61 1HA GLY 61 11.475 17.801 -0.976 428 2HA GLY 61 2HA GLY 61 12.043 18.461 -2.497 429 HA PRO 62 HA PRO 62 7.927 16.122 -2.953 430 1HB PRO 62 2HB PRO 62 6.084 17.017 -1.145 431 2HB PRO 62 3HB PRO 62 6.964 15.514 -0.952 432 1HG PRO 62 2HG PRO 62 7.357 18.086 0.453 433 2HG PRO 62 3HG PRO 62 7.915 16.488 0.910 434 1HD PRO 62 2HD PRO 62 9.487 18.588 -0.251 435 2HD PRO 62 3HD PRO 62 10.015 16.954 0.099 436 H HIS 63 HN HIS 63 5.576 17.012 -3.486 437 HA HIS 63 HA HIS 63 5.698 19.833 -3.990 438 1HB HIS 63 2HB HIS 63 5.204 19.390 -6.488 439 2HB HIS 63 3HB HIS 63 6.864 19.371 -5.926 440 HD1 HIS 63 HD1 HIS 63 7.865 16.851 -5.423 441 HD2 HIS 63 HD2 HIS 63 4.430 17.114 -7.817 442 HE1 HIS 63 HE1 HIS 63 7.686 14.628 -6.664 443 H PHE 64 HN PHE 64 4.083 16.656 -4.583 444 HA PHE 64 HA PHE 64 1.964 16.053 -4.539 445 1HB PHE 64 2HB PHE 64 2.080 18.453 -2.653 446 2HB PHE 64 3HB PHE 64 0.532 17.686 -2.946 447 HD1 PHE 64 1HD PHE 64 3.198 17.770 -0.767 448 HD2 PHE 64 2HD PHE 64 0.704 14.975 -2.760 449 HE1 PHE 64 1HE PHE 64 3.715 16.055 0.991 450 HE2 PHE 64 2HE PHE 64 1.221 13.260 -1.002 451 HZ PHE 64 HZ PHE 64 2.720 13.820 0.853 452 H ASN 65 HN ASN 65 -0.504 17.122 -4.655 453 HA ASN 65 HA ASN 65 -0.290 18.972 -6.899 454 1HB ASN 65 2HB ASN 65 -1.240 16.516 -7.197 455 2HB ASN 65 3HB ASN 65 -2.672 17.141 -6.403 456 1HD2 ASN 65 1HD2 ASN 65 -4.186 17.630 -7.779 457 2HD2 ASN 65 2HD2 ASN 65 -4.005 18.388 -9.326 458 HA PRO 66 HA PRO 66 -2.824 21.554 -4.410 459 1HB PRO 66 2HB PRO 66 -3.679 23.356 -6.278 460 2HB PRO 66 3HB PRO 66 -2.108 23.448 -5.507 461 1HG PRO 66 2HG PRO 66 -2.779 22.570 -8.249 462 2HG PRO 66 3HG PRO 66 -1.228 23.070 -7.605 463 1HD PRO 66 2HD PRO 66 -2.080 20.383 -8.136 464 2HD PRO 66 3HD PRO 66 -0.576 20.876 -7.385 465 H LEU 67 HN LEU 67 -4.180 19.552 -4.110 466 HA LEU 67 HA LEU 67 -6.854 20.352 -4.828 467 1HB LEU 67 2HB LEU 67 -5.540 18.630 -6.541 468 2HB LEU 67 3HB LEU 67 -6.429 17.538 -5.497 469 HG LEU 67 HG LEU 67 -8.237 19.601 -6.225 470 1HD1 LEU 67 1HD1 LEU 67 -8.044 18.868 -8.820 471 2HD1 LEU 67 2HD1 LEU 67 -7.347 20.363 -8.150 472 3HD1 LEU 67 3HD1 LEU 67 -6.321 18.926 -8.377 473 1HD2 LEU 67 1HD2 LEU 67 -9.603 17.858 -6.615 474 2HD2 LEU 67 2HD2 LEU 67 -8.422 17.024 -7.654 475 3HD2 LEU 67 3HD2 LEU 67 -8.288 16.908 -5.883 476 H SER 68 HN SER 68 -4.662 17.867 -3.381 477 HA SER 68 HA SER 68 -6.534 16.768 -1.698 478 1HB SER 68 2HB SER 68 -4.769 15.494 -1.066 479 2HB SER 68 3HB SER 68 -3.829 16.406 -2.230 480 HG SER 68 HG SER 68 -2.655 16.907 -0.497 481 H ARG 69 HN ARG 69 -4.573 19.743 -1.454 482 HA ARG 69 HA ARG 69 -4.827 21.495 -0.190 483 1HB ARG 69 2HB ARG 69 -7.331 20.166 0.253 484 2HB ARG 69 3HB ARG 69 -6.764 20.680 1.830 485 1HG ARG 69 2HG ARG 69 -6.214 22.928 0.318 486 2HG ARG 69 3HG ARG 69 -7.643 22.324 -0.496 487 1HD ARG 69 2HD ARG 69 -8.597 22.079 1.984 488 2HD ARG 69 3HD ARG 69 -7.347 23.244 2.374 489 HE ARG 69 HE ARG 69 -8.825 24.116 0.050 490 1HH1 ARG 69 2HH2 ARG 69 -9.072 23.851 3.550 491 2HH1 ARG 69 1HH2 ARG 69 -10.199 25.159 3.697 492 1HH2 ARG 69 2HH1 ARG 69 -10.311 25.841 0.243 493 2HH2 ARG 69 1HH1 ARG 69 -10.908 26.298 1.803 494 H LYS 70 HN LYS 70 -4.082 18.352 0.854 495 HA LYS 70 HA LYS 70 -2.721 17.568 2.408 496 1HB LYS 70 2HB LYS 70 -0.960 18.878 2.746 497 2HB LYS 70 3HB LYS 70 -1.863 20.229 2.089 498 1HG LYS 70 2HG LYS 70 -2.885 20.509 4.455 499 2HG LYS 70 3HG LYS 70 -1.667 19.379 5.009 500 1HD LYS 70 2HD LYS 70 -0.002 20.938 4.898 501 2HD LYS 70 3HD LYS 70 -0.510 21.499 3.317 502 1HE LYS 70 2HE LYS 70 -2.555 22.367 5.084 503 2HE LYS 70 3HE LYS 70 -1.062 22.656 5.953 504 1HZ LYS 70 1HZ LYS 70 -1.557 24.516 4.592 505 2HZ LYS 70 2HZ LYS 70 -0.242 23.786 3.957 506 3HZ LYS 70 3HZ LYS 70 -1.701 23.601 3.247 507 H HIS 71 HN HIS 71 -2.448 17.456 4.931 508 HA HIS 71 HA HIS 71 -3.490 16.927 6.797 509 1HB HIS 71 2HB HIS 71 -3.227 19.453 6.921 510 2HB HIS 71 3HB HIS 71 -4.925 19.574 6.506 511 HD1 HIS 71 HD1 HIS 71 -4.552 16.636 8.584 512 HD2 HIS 71 HD2 HIS 71 -4.799 20.766 9.277 513 HE1 HIS 71 HE1 HIS 71 -5.183 16.913 11.041 514 H GLY 72 HN GLY 72 -4.599 15.524 4.770 515 1HA GLY 72 1HA GLY 72 -7.332 15.891 4.288 516 2HA GLY 72 2HA GLY 72 -6.433 14.394 4.135 517 H GLY 73 HN GLY 73 -9.169 15.394 5.431 518 1HA GLY 73 1HA GLY 73 -10.027 13.577 6.978 519 2HA GLY 73 2HA GLY 73 -8.773 14.128 8.070 520 HA PRO 74 HA PRO 74 -12.010 16.808 9.382 521 1HB PRO 74 2HB PRO 74 -10.897 17.514 11.776 522 2HB PRO 74 3HB PRO 74 -11.890 16.085 11.564 523 1HG PRO 74 2HG PRO 74 -8.955 16.275 11.863 524 2HG PRO 74 3HG PRO 74 -9.992 14.878 12.076 525 1HD PRO 74 2HD PRO 74 -8.304 15.436 9.825 526 2HD PRO 74 3HD PRO 74 -9.427 14.101 9.987 527 H LYS 75 HN LYS 75 -9.065 17.463 8.191 528 HA LYS 75 HA LYS 75 -9.648 20.331 8.346 529 1HB LYS 75 2HB LYS 75 -7.201 18.899 9.204 530 2HB LYS 75 3HB LYS 75 -6.928 20.313 8.207 531 1HG LYS 75 2HG LYS 75 -7.152 21.503 10.140 532 2HG LYS 75 3HG LYS 75 -8.874 21.251 9.939 533 1HD LYS 75 2HD LYS 75 -8.989 19.744 11.665 534 2HD LYS 75 3HD LYS 75 -7.496 18.949 11.205 535 1HE LYS 75 2HE LYS 75 -6.553 19.965 13.011 536 2HE LYS 75 3HE LYS 75 -6.596 21.446 12.075 537 1HZ LYS 75 1HZ LYS 75 -8.122 22.233 13.429 538 2HZ LYS 75 2HZ LYS 75 -9.112 20.953 13.207 539 3HZ LYS 75 3HZ LYS 75 -7.973 20.911 14.377 540 H ASP 76 HN ASP 76 -10.492 18.429 6.348 541 HA ASP 76 HA ASP 76 -10.013 19.721 4.097 542 1HB ASP 76 2HB ASP 76 -7.672 19.411 4.004 543 2HB ASP 76 3HB ASP 76 -7.757 17.797 4.680 544 H GLU 77 HN GLU 77 -11.550 18.814 2.694 545 HA GLU 77 HA GLU 77 -12.316 16.074 3.284 546 1HB GLU 77 2HB GLU 77 -14.139 17.662 3.512 547 2HB GLU 77 3HB GLU 77 -13.801 18.371 1.946 548 1HG GLU 77 2HG GLU 77 -15.758 16.751 1.962 549 2HG GLU 77 3HG GLU 77 -14.522 16.381 0.775 550 H GLU 78 HN GLU 78 -10.281 17.702 1.242 551 HA GLU 78 HA GLU 78 -11.083 16.375 -1.171 552 1HB GLU 78 2HB GLU 78 -8.707 18.169 -0.512 553 2HB GLU 78 3HB GLU 78 -9.021 17.515 -2.108 554 1HG GLU 78 2HG GLU 78 -11.343 18.887 -0.820 555 2HG GLU 78 3HG GLU 78 -9.989 19.928 -1.215 556 H ARG 79 HN ARG 79 -7.838 16.608 0.450 557 HA ARG 79 HA ARG 79 -6.171 15.163 0.301 558 1HB ARG 79 2HB ARG 79 -6.427 13.390 1.939 559 2HB ARG 79 3HB ARG 79 -7.437 14.719 2.472 560 1HG ARG 79 2HG ARG 79 -8.917 12.950 0.660 561 2HG ARG 79 3HG ARG 79 -8.250 12.045 2.005 562 1HD ARG 79 2HD ARG 79 -9.285 13.645 3.615 563 2HD ARG 79 3HD ARG 79 -9.917 14.595 2.285 564 HE ARG 79 HE ARG 79 -11.635 13.033 2.027 565 1HH1 ARG 79 2HH2 ARG 79 -9.010 11.547 3.839 566 2HH1 ARG 79 1HH2 ARG 79 -9.892 10.095 4.174 567 1HH2 ARG 79 2HH1 ARG 79 -12.800 11.117 2.470 568 2HH2 ARG 79 1HH1 ARG 79 -12.063 9.849 3.390 569 H HIS 80 HN HIS 80 -7.587 15.069 -2.180 570 HA HIS 80 HA HIS 80 -7.816 12.220 -2.744 571 1HB HIS 80 2HB HIS 80 -9.720 13.336 -3.508 572 2HB HIS 80 3HB HIS 80 -8.812 14.720 -4.083 573 HD1 HIS 80 HD1 HIS 80 -9.476 11.073 -4.984 574 HD2 HIS 80 HD2 HIS 80 -8.064 14.609 -6.744 575 HE1 HIS 80 HE1 HIS 80 -9.252 10.590 -7.479 576 H VAL 81 HN VAL 81 -5.438 14.522 -2.590 577 HA VAL 81 HA VAL 81 -3.813 13.046 -4.465 578 HB VAL 81 HB VAL 81 -3.878 16.033 -4.746 579 1HG1 VAL 81 1HG1 VAL 81 -1.985 15.167 -5.790 580 2HG1 VAL 81 2HG1 VAL 81 -2.830 13.699 -6.336 581 3HG1 VAL 81 3HG1 VAL 81 -3.157 15.260 -7.127 582 1HG2 VAL 81 1HG2 VAL 81 -5.430 15.860 -6.614 583 2HG2 VAL 81 2HG2 VAL 81 -5.580 14.104 -6.361 584 3HG2 VAL 81 3HG2 VAL 81 -6.192 15.237 -5.131 585 H GLY 82 HN GLY 82 -3.818 12.994 -1.669 586 1HA GLY 82 1HA GLY 82 -1.154 13.986 -1.141 587 2HA GLY 82 2HA GLY 82 -2.413 14.772 -0.209 588 H ASP 83 HN ASP 83 -2.668 13.901 1.795 589 HA ASP 83 HA ASP 83 -2.231 11.026 1.999 590 1HB ASP 83 2HB ASP 83 -2.117 12.962 4.335 591 2HB ASP 83 3HB ASP 83 -1.424 11.357 4.229 592 H LEU 84 HN LEU 84 -3.789 9.830 3.328 593 HA LEU 84 HA LEU 84 -6.373 11.096 3.421 594 1HB LEU 84 2HB LEU 84 -6.086 8.833 2.551 595 2HB LEU 84 3HB LEU 84 -5.463 8.296 4.098 596 HG LEU 84 HG LEU 84 -7.933 9.426 4.737 597 1HD1 LEU 84 1HD1 LEU 84 -9.513 8.252 3.214 598 2HD1 LEU 84 2HD1 LEU 84 -8.614 9.577 2.437 599 3HD1 LEU 84 3HD1 LEU 84 -8.144 7.887 2.136 600 1HD2 LEU 84 1HD2 LEU 84 -6.907 6.619 4.416 601 2HD2 LEU 84 2HD2 LEU 84 -7.270 7.534 5.899 602 3HD2 LEU 84 3HD2 LEU 84 -8.597 6.922 4.883 603 H GLY 85 HN GLY 85 -4.108 9.503 5.771 604 1HA GLY 85 1HA GLY 85 -4.680 11.444 7.781 605 2HA GLY 85 2HA GLY 85 -5.533 9.944 8.085 606 H ASN 86 HN ASN 86 -4.419 8.907 9.701 607 HA ASN 86 HA ASN 86 -1.565 8.568 9.214 608 1HB ASN 86 2HB ASN 86 -2.960 8.795 11.934 609 2HB ASN 86 3HB ASN 86 -1.240 8.560 11.693 610 1HD2 ASN 86 1HD2 ASN 86 -1.689 10.587 13.166 611 2HD2 ASN 86 2HD2 ASN 86 -1.579 12.117 12.361 612 H VAL 87 HN VAL 87 -0.758 6.413 9.686 613 HA VAL 87 HA VAL 87 -2.887 4.433 9.993 614 HB VAL 87 HB VAL 87 -1.585 2.984 8.787 615 1HG1 VAL 87 1HG1 VAL 87 -0.483 5.590 7.704 616 2HG1 VAL 87 2HG1 VAL 87 -0.867 4.097 6.814 617 3HG1 VAL 87 3HG1 VAL 87 -2.178 5.091 7.492 618 1HG2 VAL 87 1HG2 VAL 87 1.003 3.767 8.465 619 2HG2 VAL 87 2HG2 VAL 87 0.677 4.358 10.112 620 3HG2 VAL 87 3HG2 VAL 87 0.444 2.637 9.722 621 H THR 88 HN THR 88 -1.811 2.288 11.106 622 HA THR 88 HA THR 88 -0.122 2.965 13.339 623 HB THR 88 HB THR 88 -3.043 2.143 13.775 624 HG1 THR 88 1HG THR 88 -3.198 4.348 13.623 625 1HG2 THR 88 1HG2 THR 88 -0.866 1.715 15.468 626 2HG2 THR 88 2HG2 THR 88 -1.431 3.326 15.973 627 3HG2 THR 88 3HG2 THR 88 -2.545 1.938 16.014 628 H ALA 89 HN ALA 89 0.774 1.139 14.370 629 HA ALA 89 HA ALA 89 0.652 -1.209 12.683 630 1HB ALA 89 1HB ALA 89 2.854 -0.800 13.198 631 2HB ALA 89 2HB ALA 89 2.464 -0.071 14.774 632 3HB ALA 89 3HB ALA 89 2.447 -1.840 14.584 633 H ASP 90 HN ASP 90 0.824 -3.399 14.062 634 HA ASP 90 HA ASP 90 -1.643 -3.451 15.510 635 1HB ASP 90 2HB ASP 90 -1.318 -5.268 13.981 636 2HB ASP 90 3HB ASP 90 0.328 -5.539 14.519 637 H LYS 91 HN LYS 91 0.998 -5.699 16.306 638 HA LYS 91 HA LYS 91 1.535 -4.272 18.797 639 1HB LYS 91 2HB LYS 91 1.123 -6.174 20.165 640 2HB LYS 91 3HB LYS 91 -0.307 -5.926 19.184 641 1HG LYS 91 2HG LYS 91 0.299 -7.732 17.678 642 2HG LYS 91 3HG LYS 91 1.909 -7.850 18.359 643 1HD LYS 91 2HD LYS 91 0.943 -8.580 20.542 644 2HD LYS 91 3HD LYS 91 -0.674 -8.437 19.883 645 1HE LYS 91 2HE LYS 91 0.207 -10.087 18.012 646 2HE LYS 91 3HE LYS 91 1.486 -10.442 19.156 647 1HZ LYS 91 1HZ LYS 91 -0.576 -11.832 19.285 648 2HZ LYS 91 2HZ LYS 91 -0.053 -11.207 20.701 649 3HZ LYS 91 3HZ LYS 91 -1.334 -10.541 19.937 650 H ASP 92 HN ASP 92 2.745 -5.197 15.987 651 HA ASP 92 HA ASP 92 5.301 -5.764 17.188 652 1HB ASP 92 2HB ASP 92 3.709 -7.713 15.689 653 2HB ASP 92 3HB ASP 92 5.216 -7.389 14.855 654 H GLY 93 HN GLY 93 3.669 -3.619 15.612 655 1HA GLY 93 1HA GLY 93 4.500 -1.930 14.280 656 2HA GLY 93 2HA GLY 93 5.785 -2.978 13.713 657 H VAL 94 HN VAL 94 3.813 -5.251 13.193 658 HA VAL 94 HA VAL 94 3.447 -4.921 10.521 659 HB VAL 94 HB VAL 94 1.668 -6.474 12.411 660 1HG1 VAL 94 1HG1 VAL 94 0.597 -6.753 10.407 661 2HG1 VAL 94 2HG1 VAL 94 2.070 -6.471 9.449 662 3HG1 VAL 94 3HG1 VAL 94 1.819 -8.038 10.255 663 1HG2 VAL 94 1HG2 VAL 94 3.596 -7.471 13.020 664 2HG2 VAL 94 2HG2 VAL 94 3.489 -8.271 11.433 665 3HG2 VAL 94 3HG2 VAL 94 4.494 -6.815 11.630 666 H ALA 95 HN ALA 95 2.504 -3.204 9.526 667 HA ALA 95 HA ALA 95 -0.077 -2.317 10.622 668 1HB ALA 95 1HB ALA 95 0.857 -0.273 10.619 669 2HB ALA 95 2HB ALA 95 2.338 -0.908 9.863 670 3HB ALA 95 3HB ALA 95 0.978 -0.375 8.846 671 H ASP 96 HN ASP 96 -1.798 -2.967 9.441 672 HA ASP 96 HA ASP 96 -1.285 -3.496 6.623 673 1HB ASP 96 2HB ASP 96 -2.050 -5.500 7.706 674 2HB ASP 96 3HB ASP 96 -3.267 -4.636 8.625 675 H VAL 97 HN VAL 97 -2.889 -2.680 5.069 676 HA VAL 97 HA VAL 97 -4.725 -0.694 6.220 677 HB VAL 97 HB VAL 97 -3.082 -0.529 3.686 678 1HG1 VAL 97 1HG1 VAL 97 -4.022 1.789 3.534 679 2HG1 VAL 97 2HG1 VAL 97 -5.220 0.498 3.278 680 3HG1 VAL 97 3HG1 VAL 97 -5.160 1.361 4.834 681 1HG2 VAL 97 1HG2 VAL 97 -1.572 0.015 5.351 682 2HG2 VAL 97 2HG2 VAL 97 -2.278 1.608 4.990 683 3HG2 VAL 97 3HG2 VAL 97 -2.823 0.695 6.417 684 H SER 98 HN SER 98 -6.611 -0.207 4.711 685 HA SER 98 HA SER 98 -7.194 -2.055 2.690 686 1HB SER 98 2HB SER 98 -7.530 -3.546 4.675 687 2HB SER 98 3HB SER 98 -8.720 -2.425 5.307 688 HG SER 98 HG SER 98 -10.118 -2.884 3.590 689 H ILE 99 HN ILE 99 -7.855 -0.284 1.444 690 HA ILE 99 HA ILE 99 -10.241 1.094 2.443 691 HB ILE 99 HB ILE 99 -7.897 2.393 1.049 692 1HG1 ILE 99 2HG1 ILE 99 -8.635 3.421 3.677 693 2HG1 ILE 99 3HG1 ILE 99 -8.165 1.735 3.750 694 1HG2 ILE 99 1HG2 ILE 99 -9.192 4.501 1.616 695 2HG2 ILE 99 2HG2 ILE 99 -9.844 3.495 0.301 696 3HG2 ILE 99 3HG2 ILE 99 -10.593 3.444 1.915 697 1HD1 ILE 99 1HD1 ILE 99 -6.549 4.051 2.606 698 2HD1 ILE 99 2HD1 ILE 99 -6.146 3.030 4.007 699 3HD1 ILE 99 3HD1 ILE 99 -6.100 2.345 2.365 700 H GLU 100 HN GLU 100 -11.561 2.048 0.638 701 HA GLU 100 HA GLU 100 -11.103 0.549 -1.820 702 1HB GLU 100 2HB GLU 100 -13.398 0.448 0.003 703 2HB GLU 100 3HB GLU 100 -13.893 0.907 -1.614 704 1HG GLU 100 2HG GLU 100 -12.682 -1.075 -2.548 705 2HG GLU 100 3HG GLU 100 -12.184 -1.533 -0.932 706 H ASP 101 HN ASP 101 -10.163 2.396 -2.840 707 HA ASP 101 HA ASP 101 -11.681 4.823 -2.822 708 1HB ASP 101 2HB ASP 101 -9.236 4.190 -4.523 709 2HB ASP 101 3HB ASP 101 -9.807 5.771 -4.030 710 H SER 102 HN SER 102 -13.315 5.155 -4.336 711 HA SER 102 HA SER 102 -13.118 3.606 -6.797 712 1HB SER 102 2HB SER 102 -15.392 3.266 -6.746 713 2HB SER 102 3HB SER 102 -15.143 3.483 -5.025 714 HG SER 102 HG SER 102 -15.592 5.840 -5.438 715 H VAL 103 HN VAL 103 -11.907 6.323 -6.020 716 HA VAL 103 HA VAL 103 -13.295 7.954 -8.030 717 HB VAL 103 HB VAL 103 -11.774 9.735 -6.761 718 1HG1 VAL 103 1HG1 VAL 103 -14.094 9.299 -5.090 719 2HG1 VAL 103 2HG1 VAL 103 -13.790 10.572 -6.297 720 3HG1 VAL 103 3HG1 VAL 103 -14.500 9.019 -6.800 721 1HG2 VAL 103 1HG2 VAL 103 -12.417 7.736 -4.568 722 2HG2 VAL 103 2HG2 VAL 103 -10.796 7.995 -5.258 723 3HG2 VAL 103 3HG2 VAL 103 -11.614 9.315 -4.387 724 H ILE 104 HN ILE 104 -10.376 6.239 -7.127 725 HA ILE 104 HA ILE 104 -8.960 7.535 -9.346 726 HB ILE 104 HB ILE 104 -6.919 6.735 -8.307 727 1HG1 ILE 104 2HG1 ILE 104 -7.093 5.819 -5.929 728 2HG1 ILE 104 3HG1 ILE 104 -8.782 5.502 -6.268 729 1HG2 ILE 104 1HG2 ILE 104 -7.357 8.014 -5.996 730 2HG2 ILE 104 2HG2 ILE 104 -7.213 8.853 -7.559 731 3HG2 ILE 104 3HG2 ILE 104 -8.821 8.514 -6.875 732 1HD1 ILE 104 1HD1 ILE 104 -6.775 4.551 -8.297 733 2HD1 ILE 104 2HD1 ILE 104 -6.880 3.669 -6.754 734 3HD1 ILE 104 3HD1 ILE 104 -8.316 3.815 -7.796 735 H SER 105 HN SER 105 -7.205 5.749 -10.224 736 HA SER 105 HA SER 105 -8.036 3.120 -10.303 737 1HB SER 105 2HB SER 105 -9.241 4.920 -12.390 738 2HB SER 105 3HB SER 105 -8.697 3.337 -12.909 739 HG SER 105 HG SER 105 -10.025 2.827 -10.683 740 H LEU 106 HN LEU 106 -7.033 2.096 -12.579 741 HA LEU 106 HA LEU 106 -4.334 3.188 -12.624 742 1HB LEU 106 2HB LEU 106 -5.229 0.617 -13.892 743 2HB LEU 106 3HB LEU 106 -3.626 1.085 -13.360 744 HG LEU 106 HG LEU 106 -5.651 0.988 -11.210 745 1HD1 LEU 106 1HD1 LEU 106 -6.132 -1.244 -11.175 746 2HD1 LEU 106 2HD1 LEU 106 -6.078 -0.976 -12.934 747 3HD1 LEU 106 3HD1 LEU 106 -4.679 -1.693 -12.099 748 1HD2 LEU 106 1HD2 LEU 106 -3.410 1.383 -10.575 749 2HD2 LEU 106 2HD2 LEU 106 -3.761 -0.300 -10.115 750 3HD2 LEU 106 3HD2 LEU 106 -2.804 0.041 -11.577 751 H SER 107 HN SER 107 -6.353 4.768 -13.887 752 HA SER 107 HA SER 107 -5.564 4.359 -16.666 753 1HB SER 107 2HB SER 107 -8.206 4.569 -15.510 754 2HB SER 107 3HB SER 107 -7.942 5.964 -16.537 755 HG SER 107 HG SER 107 -8.800 3.818 -17.496 756 H GLY 108 HN GLY 108 -5.116 6.322 -17.901 757 1HA GLY 108 1HA GLY 108 -3.617 8.239 -16.692 758 2HA GLY 108 2HA GLY 108 -4.474 8.463 -18.204 759 H ASP 109 HN ASP 109 -3.932 10.383 -15.933 760 HA ASP 109 HA ASP 109 -5.104 12.199 -15.391 761 1HB ASP 109 2HB ASP 109 -7.030 11.187 -16.909 762 2HB ASP 109 3HB ASP 109 -7.733 10.684 -15.384 763 H HIS 110 HN HIS 110 -6.057 8.926 -14.241 764 HA HIS 110 HA HIS 110 -5.993 9.978 -11.508 765 1HB HIS 110 2HB HIS 110 -7.935 8.066 -12.790 766 2HB HIS 110 3HB HIS 110 -7.624 7.996 -11.067 767 HD1 HIS 110 HD1 HIS 110 -8.908 10.425 -13.714 768 HD2 HIS 110 HD2 HIS 110 -8.966 9.884 -9.555 769 HE1 HIS 110 HE1 HIS 110 -10.524 12.170 -12.788 770 H SER 111 HN SER 111 -4.299 8.310 -13.756 771 HA SER 111 HA SER 111 -3.733 5.865 -12.976 772 1HB SER 111 2HB SER 111 -1.370 6.275 -13.674 773 2HB SER 111 3HB SER 111 -2.528 6.976 -14.786 774 HG SER 111 HG SER 111 -0.519 8.241 -13.644 775 H ILE 112 HN ILE 112 -3.418 4.929 -10.993 776 HA ILE 112 HA ILE 112 -2.278 6.585 -8.883 777 HB ILE 112 HB ILE 112 -3.066 4.726 -7.418 778 1HG1 ILE 112 2HG1 ILE 112 -4.506 3.714 -9.882 779 2HG1 ILE 112 3HG1 ILE 112 -3.031 2.996 -9.266 780 1HG2 ILE 112 1HG2 ILE 112 -4.345 6.857 -8.001 781 2HG2 ILE 112 2HG2 ILE 112 -5.321 5.839 -9.087 782 3HG2 ILE 112 3HG2 ILE 112 -5.284 5.496 -7.341 783 1HD1 ILE 112 1HD1 ILE 112 -4.636 3.216 -6.976 784 2HD1 ILE 112 2HD1 ILE 112 -5.781 2.754 -8.258 785 3HD1 ILE 112 3HD1 ILE 112 -4.360 1.735 -7.925 786 H ILE 113 HN ILE 113 -1.651 3.748 -10.931 787 HA ILE 113 HA ILE 113 0.257 2.411 -9.591 788 HB ILE 113 HB ILE 113 0.083 3.168 -12.500 789 1HG1 ILE 113 2HG1 ILE 113 -1.750 1.807 -11.663 790 2HG1 ILE 113 3HG1 ILE 113 -0.745 0.881 -12.760 791 1HG2 ILE 113 1HG2 ILE 113 2.040 1.295 -11.151 792 2HG2 ILE 113 2HG2 ILE 113 1.674 1.266 -12.893 793 3HG2 ILE 113 3HG2 ILE 113 2.399 2.717 -12.159 794 1HD1 ILE 113 1HD1 ILE 113 0.413 0.484 -10.201 795 2HD1 ILE 113 2HD1 ILE 113 -1.347 0.372 -9.955 796 3HD1 ILE 113 3HD1 ILE 113 -0.545 -0.688 -11.139 797 H GLY 114 HN GLY 114 2.029 3.000 -8.474 798 1HA GLY 114 1HA GLY 114 4.273 3.907 -8.723 799 2HA GLY 114 2HA GLY 114 3.567 5.313 -9.494 800 H ARG 115 HN ARG 115 1.955 3.722 -6.744 801 HA ARG 115 HA ARG 115 2.210 6.178 -5.302 802 1HB ARG 115 2HB ARG 115 0.617 3.619 -4.959 803 2HB ARG 115 3HB ARG 115 0.776 4.707 -3.595 804 1HG ARG 115 2HG ARG 115 -0.134 5.699 -6.327 805 2HG ARG 115 3HG ARG 115 -1.269 5.043 -5.164 806 1HD ARG 115 2HD ARG 115 0.102 6.813 -3.562 807 2HD ARG 115 3HD ARG 115 0.223 7.633 -5.105 808 HE ARG 115 HE ARG 115 -2.477 6.654 -4.413 809 1HH1 ARG 115 2HH2 ARG 115 -0.228 9.361 -4.384 810 2HH1 ARG 115 1HH2 ARG 115 -1.470 10.556 -4.212 811 1HH2 ARG 115 2HH1 ARG 115 -4.116 8.231 -4.187 812 2HH2 ARG 115 1HH1 ARG 115 -3.696 9.909 -4.099 813 H THR 116 HN THR 116 4.692 5.706 -5.188 814 HA THR 116 HA THR 116 5.876 3.673 -3.858 815 HB THR 116 HB THR 116 6.452 6.680 -3.725 816 HG1 THR 116 1HG THR 116 6.545 5.913 -5.869 817 1HG2 THR 116 1HG2 THR 116 7.762 5.240 -2.040 818 2HG2 THR 116 2HG2 THR 116 8.390 4.332 -3.435 819 3HG2 THR 116 3HG2 THR 116 8.761 6.064 -3.261 820 H LEU 117 HN LEU 117 4.769 2.664 -2.210 821 HA LEU 117 HA LEU 117 3.658 4.146 -0.065 822 1HB LEU 117 2HB LEU 117 3.297 1.668 -1.083 823 2HB LEU 117 3HB LEU 117 4.308 1.284 0.295 824 HG LEU 117 HG LEU 117 2.266 3.089 1.173 825 1HD1 LEU 117 1HD1 LEU 117 1.376 1.128 -0.844 826 2HD1 LEU 117 2HD1 LEU 117 0.452 1.125 0.677 827 3HD1 LEU 117 3HD1 LEU 117 0.606 2.626 -0.268 828 1HD2 LEU 117 1HD2 LEU 117 2.167 1.667 2.917 829 2HD2 LEU 117 2HD2 LEU 117 2.069 0.224 1.879 830 3HD2 LEU 117 3HD2 LEU 117 3.644 0.992 2.189 831 H VAL 118 HN VAL 118 4.840 5.270 1.383 832 HA VAL 118 HA VAL 118 7.170 3.916 2.510 833 HB VAL 118 HB VAL 118 8.060 5.344 0.789 834 1HG1 VAL 118 1HG1 VAL 118 6.481 7.579 2.108 835 2HG1 VAL 118 2HG1 VAL 118 7.706 7.805 0.836 836 3HG1 VAL 118 3HG1 VAL 118 6.217 6.895 0.486 837 1HG2 VAL 118 1HG2 VAL 118 8.901 5.310 3.360 838 2HG2 VAL 118 2HG2 VAL 118 9.746 6.179 2.057 839 3HG2 VAL 118 3HG2 VAL 118 8.643 7.058 3.143 840 H VAL 119 HN VAL 119 6.827 3.758 4.660 841 HA VAL 119 HA VAL 119 4.767 5.225 5.914 842 HB VAL 119 HB VAL 119 5.392 4.038 7.872 843 1HG1 VAL 119 1HG1 VAL 119 5.157 1.815 7.153 844 2HG1 VAL 119 2HG1 VAL 119 4.455 2.775 5.828 845 3HG1 VAL 119 3HG1 VAL 119 6.093 2.098 5.665 846 1HG2 VAL 119 1HG2 VAL 119 7.496 2.717 8.022 847 2HG2 VAL 119 2HG2 VAL 119 8.030 3.447 6.489 848 3HG2 VAL 119 3HG2 VAL 119 7.777 4.472 7.922 849 H HIS 120 HN HIS 120 4.884 6.924 7.452 850 HA HIS 120 HA HIS 120 7.148 8.643 7.007 851 1HB HIS 120 2HB HIS 120 4.366 8.919 7.841 852 2HB HIS 120 3HB HIS 120 5.444 9.851 8.862 853 HD1 HIS 120 HD1 HIS 120 7.534 10.593 6.556 854 HD2 HIS 120 HD2 HIS 120 3.368 11.053 6.369 855 HE1 HIS 120 HE1 HIS 120 7.092 12.401 4.810 856 H GLU 121 HN GLU 121 8.720 9.212 8.513 857 HA GLU 121 HA GLU 121 9.533 7.421 10.315 858 1HB GLU 121 2HB GLU 121 10.188 10.118 9.614 859 2HB GLU 121 3HB GLU 121 10.146 10.051 11.364 860 1HG GLU 121 2HG GLU 121 11.542 7.798 9.934 861 2HG GLU 121 3HG GLU 121 12.341 9.358 9.943 862 H LYS 122 HN LYS 122 7.062 9.964 10.770 863 HA LYS 122 HA LYS 122 6.002 8.589 13.012 864 1HB LYS 122 2HB LYS 122 7.980 9.759 14.037 865 2HB LYS 122 3HB LYS 122 7.244 11.289 13.603 866 1HG LYS 122 2HG LYS 122 5.185 9.779 14.875 867 2HG LYS 122 3HG LYS 122 6.623 9.527 15.844 868 1HD LYS 122 2HD LYS 122 6.894 12.178 15.549 869 2HD LYS 122 3HD LYS 122 5.171 12.107 15.237 870 1HE LYS 122 2HE LYS 122 4.963 10.745 17.425 871 2HE LYS 122 3HE LYS 122 6.630 11.177 17.749 872 1HZ LYS 122 1HZ LYS 122 4.520 13.147 17.209 873 2HZ LYS 122 2HZ LYS 122 4.993 12.704 18.708 874 3HZ LYS 122 3HZ LYS 122 6.042 13.459 17.710 875 H ALA 123 HN ALA 123 3.865 9.280 13.464 876 HA ALA 123 HA ALA 123 2.658 10.687 11.303 877 1HB ALA 123 1HB ALA 123 0.625 10.016 12.297 878 2HB ALA 123 2HB ALA 123 1.757 8.710 12.723 879 3HB ALA 123 3HB ALA 123 1.338 9.952 13.927 880 H ASP 124 HN ASP 124 0.732 12.318 12.286 881 HA ASP 124 HA ASP 124 2.342 14.476 13.302 882 1HB ASP 124 2HB ASP 124 0.903 14.934 11.372 883 2HB ASP 124 3HB ASP 124 -0.503 14.312 12.214 884 H ASP 125 HN ASP 125 1.417 12.098 14.980 885 HA ASP 125 HA ASP 125 0.512 11.635 16.898 886 1HB ASP 125 2HB ASP 125 1.215 14.555 17.190 887 2HB ASP 125 3HB ASP 125 0.287 13.809 18.476 888 H LEU 126 HN LEU 126 -1.339 12.292 14.705 889 HA LEU 126 HA LEU 126 -3.464 12.729 14.293 890 1HB LEU 126 2HB LEU 126 -3.559 12.016 17.205 891 2HB LEU 126 3HB LEU 126 -5.017 12.502 16.364 892 HG LEU 126 HG LEU 126 -3.282 10.279 15.298 893 1HD1 LEU 126 1HD1 LEU 126 -3.674 9.112 17.163 894 2HD1 LEU 126 2HD1 LEU 126 -4.907 10.260 17.737 895 3HD1 LEU 126 3HD1 LEU 126 -5.349 8.988 16.572 896 1HD2 LEU 126 1HD2 LEU 126 -5.059 11.331 13.872 897 2HD2 LEU 126 2HD2 LEU 126 -5.244 9.581 14.138 898 3HD2 LEU 126 3HD2 LEU 126 -6.263 10.730 15.037 899 H GLY 127 HN GLY 127 -1.497 14.917 15.219 900 1HA GLY 127 1HA GLY 127 -2.270 17.196 14.699 901 2HA GLY 127 2HA GLY 127 -3.555 16.946 15.864 902 H LYS 128 HN LYS 128 -0.487 18.272 15.421 903 HA LYS 128 HA LYS 128 0.141 18.010 18.278 904 1HB LYS 128 2HB LYS 128 2.330 17.847 17.778 905 2HB LYS 128 3HB LYS 128 1.743 17.315 16.216 906 1HG LYS 128 2HG LYS 128 1.721 19.885 15.613 907 2HG LYS 128 3HG LYS 128 2.772 20.059 17.004 908 1HD LYS 128 2HD LYS 128 4.311 18.312 16.005 909 2HD LYS 128 3HD LYS 128 3.287 18.268 14.583 910 1HE LYS 128 2HE LYS 128 5.015 19.793 13.994 911 2HE LYS 128 3HE LYS 128 3.666 20.830 14.413 912 1HZ LYS 128 1HZ LYS 128 5.179 21.752 15.741 913 2HZ LYS 128 2HZ LYS 128 4.839 20.528 16.767 914 3HZ LYS 128 3HZ LYS 128 6.146 20.438 15.793 915 H GLY 129 HN GLY 129 -0.609 20.168 15.570 916 1HA GLY 129 1HA GLY 129 -1.763 22.211 16.474 917 2HA GLY 129 2HA GLY 129 -0.287 22.485 17.378 918 H GLY 130 HN GLY 130 1.772 21.923 15.646 919 1HA GLY 130 1HA GLY 130 2.244 24.121 14.207 920 2HA GLY 130 2HA GLY 130 2.839 22.540 13.738 921 H ASN 131 HN ASN 131 2.067 24.802 11.983 922 HA ASN 131 HA ASN 131 0.006 23.376 10.504 923 1HB ASN 131 2HB ASN 131 0.240 26.381 11.012 924 2HB ASN 131 3HB ASN 131 -0.707 25.746 9.681 925 1HD2 ASN 131 1HD2 ASN 131 -1.294 27.165 12.300 926 2HD2 ASN 131 2HD2 ASN 131 -2.565 26.250 13.042 927 H GLU 132 HN GLU 132 0.605 23.059 8.327 928 HA GLU 132 HA GLU 132 1.575 23.466 6.383 929 1HB GLU 132 2HB GLU 132 1.851 25.945 7.332 930 2HB GLU 132 3HB GLU 132 3.536 25.484 7.474 931 1HG GLU 132 2HG GLU 132 2.531 24.616 4.887 932 2HG GLU 132 3HG GLU 132 2.136 26.308 5.115 933 H GLN 133 HN GLN 133 2.482 21.834 8.852 934 HA GLN 133 HA GLN 133 4.995 21.048 7.645 935 1HB GLN 133 2HB GLN 133 4.915 22.493 10.046 936 2HB GLN 133 3HB GLN 133 5.066 20.831 10.582 937 1HG GLN 133 2HG GLN 133 7.304 21.787 10.250 938 2HG GLN 133 3HG GLN 133 7.034 20.517 9.074 939 1HE2 GLN 133 1HE2 GLN 133 7.683 23.818 9.619 940 2HE2 GLN 133 2HE2 GLN 133 7.725 24.375 7.979 941 H SER 134 HN SER 134 3.102 20.173 10.628 942 HA SER 134 HA SER 134 3.323 17.425 9.895 943 1HB SER 134 2HB SER 134 2.283 16.980 12.057 944 2HB SER 134 3HB SER 134 3.520 18.204 12.261 945 HG SER 134 HG SER 134 1.153 19.442 11.672 946 H THR 135 HN THR 135 1.159 20.044 9.286 947 HA THR 135 HA THR 135 -1.283 18.595 9.228 948 HB THR 135 HB THR 135 -1.962 20.695 7.890 949 HG1 THR 135 1HG THR 135 0.391 20.855 7.155 950 1HG2 THR 135 1HG2 THR 135 -0.334 21.331 10.400 951 2HG2 THR 135 2HG2 THR 135 -1.728 22.235 9.760 952 3HG2 THR 135 3HG2 THR 135 -1.963 20.617 10.464 953 H LYS 136 HN LYS 136 1.490 18.727 7.122 954 HA LYS 136 HA LYS 136 -0.129 17.510 4.997 955 1HB LYS 136 2HB LYS 136 0.846 19.356 4.009 956 2HB LYS 136 3HB LYS 136 2.300 19.262 4.982 957 1HG LYS 136 2HG LYS 136 3.331 17.819 3.532 958 2HG LYS 136 3HG LYS 136 1.884 16.858 3.303 959 1HD LYS 136 2HD LYS 136 1.971 17.781 1.191 960 2HD LYS 136 3HD LYS 136 1.085 19.075 1.971 961 1HE LYS 136 2HE LYS 136 3.659 19.840 2.556 962 2HE LYS 136 3HE LYS 136 3.924 19.016 1.033 963 1HZ LYS 136 1HZ LYS 136 3.138 21.515 1.201 964 2HZ LYS 136 2HZ LYS 136 2.771 20.563 -0.074 965 3HZ LYS 136 3HZ LYS 136 1.671 20.804 1.108 966 H THR 137 HN THR 137 2.629 17.161 7.220 967 HA THR 137 HA THR 137 2.870 14.374 6.295 968 HB THR 137 HB THR 137 5.297 14.583 6.813 969 HG1 THR 137 1HG THR 137 5.933 16.873 7.362 970 1HG2 THR 137 1HG2 THR 137 5.789 16.698 5.271 971 2HG2 THR 137 2HG2 THR 137 5.063 15.241 4.551 972 3HG2 THR 137 3HG2 THR 137 4.037 16.635 4.966 973 H GLY 138 HN GLY 138 4.699 15.614 9.021 974 1HA GLY 138 1HA GLY 138 2.884 15.247 11.092 975 2HA GLY 138 2HA GLY 138 3.591 13.677 10.764 976 H ASN 139 HN ASN 139 5.172 16.898 10.358 977 HA ASN 139 HA ASN 139 7.037 17.690 11.141 978 1HB ASN 139 2HB ASN 139 5.532 17.814 13.218 979 2HB ASN 139 3HB ASN 139 6.280 16.332 13.779 980 1HD2 ASN 139 1HD2 ASN 139 6.800 19.698 12.944 981 2HD2 ASN 139 2HD2 ASN 139 8.267 19.945 13.831 982 H ALA 140 HN ALA 140 6.979 14.826 10.094 983 HA ALA 140 HA ALA 140 9.396 13.859 11.464 984 1HB ALA 140 1HB ALA 140 8.651 11.620 11.141 985 2HB ALA 140 2HB ALA 140 7.237 12.504 11.763 986 3HB ALA 140 3HB ALA 140 7.358 12.128 10.028 987 H GLY 141 HN GLY 141 7.519 13.650 8.352 988 1HA GLY 141 1HA GLY 141 8.295 13.329 6.237 989 2HA GLY 141 2HA GLY 141 9.172 14.799 6.612 990 H SER 142 HN SER 142 9.362 11.270 6.298 991 HA SER 142 HA SER 142 12.099 11.448 5.706 992 1HB SER 142 2HB SER 142 11.576 11.222 8.451 993 2HB SER 142 3HB SER 142 11.895 9.568 7.967 994 HG SER 142 HG SER 142 13.669 11.546 6.958 995 H ARG 143 HN ARG 143 12.186 10.022 4.013 996 HA ARG 143 HA ARG 143 10.257 7.925 3.921 997 1HB ARG 143 2HB ARG 143 12.442 8.874 2.014 998 2HB ARG 143 3HB ARG 143 11.475 7.453 1.669 999 1HG ARG 143 2HG ARG 143 10.256 9.141 0.576 1000 2HG ARG 143 3HG ARG 143 9.409 9.021 2.105 1001 1HD ARG 143 2HD ARG 143 10.109 11.101 2.814 1002 2HD ARG 143 3HD ARG 143 11.713 10.911 2.135 1003 HE ARG 143 HE ARG 143 9.838 11.133 -0.019 1004 1HH1 ARG 143 2HH2 ARG 143 11.265 13.094 2.531 1005 2HH1 ARG 143 1HH2 ARG 143 11.097 14.580 1.657 1006 1HH2 ARG 143 2HH1 ARG 143 9.616 13.094 -1.172 1007 2HH2 ARG 143 1HH1 ARG 143 10.153 14.580 -0.463 1008 H LEU 144 HN LEU 144 10.712 5.655 3.968 1009 HA LEU 144 HA LEU 144 13.480 4.975 4.672 1010 1HB LEU 144 2HB LEU 144 11.069 3.647 5.888 1011 2HB LEU 144 3HB LEU 144 12.750 3.497 6.360 1012 HG LEU 144 HG LEU 144 12.249 6.216 6.656 1013 1HD1 LEU 144 1HD1 LEU 144 10.073 5.382 8.312 1014 2HD1 LEU 144 2HD1 LEU 144 10.101 6.611 7.026 1015 3HD1 LEU 144 3HD1 LEU 144 9.725 4.917 6.630 1016 1HD2 LEU 144 1HD2 LEU 144 13.326 4.228 8.129 1017 2HD2 LEU 144 2HD2 LEU 144 12.967 5.852 8.763 1018 3HD2 LEU 144 3HD2 LEU 144 11.827 4.515 9.044 1019 H ALA 145 HN ALA 145 10.275 3.535 3.728 1020 HA ALA 145 HA ALA 145 11.790 1.767 1.936 1021 1HB ALA 145 1HB ALA 145 10.603 0.556 3.683 1022 2HB ALA 145 2HB ALA 145 9.095 1.425 3.310 1023 3HB ALA 145 3HB ALA 145 9.779 0.284 2.128 1024 H CYS 146 HN CYS 146 10.341 1.073 -0.037 1025 HA CYS 146 HA CYS 146 8.514 3.114 -0.883 1026 1HB CYS 146 2HB CYS 146 9.998 3.232 -3.101 1027 2HB CYS 146 3HB CYS 146 10.117 4.392 -1.792 1028 H GLY 147 HN GLY 147 7.393 0.905 -0.544 1029 1HA GLY 147 1HA GLY 147 7.906 -1.387 -1.946 1030 2HA GLY 147 2HA GLY 147 6.309 -0.818 -1.505 1031 H VAL 148 HN VAL 148 5.967 1.489 -3.038 1032 HA VAL 148 HA VAL 148 5.403 2.197 -5.054 1033 HB VAL 148 HB VAL 148 7.827 0.554 -5.681 1034 1HG1 VAL 148 1HG1 VAL 148 5.892 1.722 -7.683 1035 2HG1 VAL 148 2HG1 VAL 148 7.626 1.562 -8.054 1036 3HG1 VAL 148 3HG1 VAL 148 6.661 0.117 -7.666 1037 1HG2 VAL 148 1HG2 VAL 148 7.586 3.049 -4.719 1038 2HG2 VAL 148 2HG2 VAL 148 8.919 2.552 -5.790 1039 3HG2 VAL 148 3HG2 VAL 148 7.513 3.414 -6.460 1040 H ILE 149 HN ILE 149 3.556 1.707 -6.132 1041 HA ILE 149 HA ILE 149 2.785 -1.088 -6.194 1042 HB ILE 149 HB ILE 149 1.286 1.473 -6.742 1043 1HG1 ILE 149 2HG1 ILE 149 0.070 0.779 -4.642 1044 2HG1 ILE 149 3HG1 ILE 149 1.297 -0.449 -4.402 1045 1HG2 ILE 149 1HG2 ILE 149 0.626 -0.772 -7.985 1046 2HG2 ILE 149 2HG2 ILE 149 -0.112 -1.143 -6.408 1047 3HG2 ILE 149 3HG2 ILE 149 -0.602 0.319 -7.298 1048 1HD1 ILE 149 1HD1 ILE 149 2.199 2.385 -4.913 1049 2HD1 ILE 149 2HD1 ILE 149 1.561 1.962 -3.306 1050 3HD1 ILE 149 3HD1 ILE 149 2.982 1.107 -3.953 1051 H GLY 150 HN GLY 150 3.160 -2.344 -7.933 1052 1HA GLY 150 1HA GLY 150 3.213 -1.027 -10.577 1053 2HA GLY 150 2HA GLY 150 4.470 -2.145 -10.085 1054 H ILE 151 HN ILE 151 1.856 -2.000 -12.016 1055 HA ILE 151 HA ILE 151 0.083 -3.929 -11.410 1056 HB ILE 151 HB ILE 151 1.384 -3.297 -14.056 1057 1HG1 ILE 151 2HG1 ILE 151 0.170 -1.465 -12.830 1058 2HG1 ILE 151 3HG1 ILE 151 -0.439 -1.832 -14.432 1059 1HG2 ILE 151 1HG2 ILE 151 0.475 -5.436 -14.402 1060 2HG2 ILE 151 2HG2 ILE 151 -0.961 -5.085 -13.411 1061 3HG2 ILE 151 3HG2 ILE 151 -0.763 -4.304 -14.998 1062 1HD1 ILE 151 1HD1 ILE 151 -2.460 -2.536 -13.637 1063 2HD1 ILE 151 2HD1 ILE 151 -1.716 -3.448 -12.302 1064 3HD1 ILE 151 3HD1 ILE 151 -1.987 -1.697 -12.140 1065 H ALA 152 HN ALA 152 -0.086 -6.196 -11.532 1066 HA ALA 152 HA ALA 152 2.353 -7.647 -12.188 1067 1HB ALA 152 1HB ALA 152 2.358 -7.097 -9.718 1068 2HB ALA 152 2HB ALA 152 0.864 -8.053 -9.567 1069 3HB ALA 152 3HB ALA 152 2.374 -8.837 -10.090 1070 H GLN 153 HN GLN 153 1.870 -10.074 -12.286 1071 HA GLN 153 HA GLN 153 -0.744 -10.330 -13.495 1072 1HB GLN 153 2HB GLN 153 1.765 -11.168 -14.307 1073 2HB GLN 153 3HB GLN 153 1.118 -12.641 -13.612 1074 1HG GLN 153 2HG GLN 153 -0.253 -12.956 -15.392 1075 2HG GLN 153 3HG GLN 153 -0.949 -11.359 -15.203 1076 1HE2 GLN 153 1HE2 GLN 153 0.702 -13.334 -17.228 1077 2HE2 GLN 153 2HE2 GLN 153 1.474 -12.189 -18.273 Start of MODEL 16 1 1H ALA 1 HN ALA 1 -8.728 -6.121 -11.371 2 HA ALA 1 HA ALA 1 -8.602 -8.441 -13.122 3 1HB ALA 1 1HB ALA 1 -9.670 -5.890 -13.917 4 2HB ALA 1 2HB ALA 1 -8.115 -6.143 -14.745 5 3HB ALA 1 3HB ALA 1 -9.415 -7.347 -14.906 6 H THR 2 HN THR 2 -7.154 -5.121 -12.750 7 HA THR 2 HA THR 2 -4.515 -6.300 -13.002 8 HB THR 2 HB THR 2 -5.834 -3.685 -13.375 9 HG1 THR 2 1HG THR 2 -3.264 -4.943 -14.045 10 1HG2 THR 2 1HG2 THR 2 -3.708 -2.402 -12.891 11 2HG2 THR 2 2HG2 THR 2 -4.505 -2.984 -11.410 12 3HG2 THR 2 3HG2 THR 2 -3.077 -3.835 -12.046 13 H LYS 3 HN LYS 3 -3.342 -7.028 -11.353 14 HA LYS 3 HA LYS 3 -4.057 -6.007 -8.695 15 1HB LYS 3 2HB LYS 3 -4.509 -8.351 -8.848 16 2HB LYS 3 3HB LYS 3 -2.960 -8.679 -9.596 17 1HG LYS 3 2HG LYS 3 -2.570 -7.263 -7.070 18 2HG LYS 3 3HG LYS 3 -3.566 -8.682 -6.815 19 1HD LYS 3 2HD LYS 3 -1.152 -9.043 -8.564 20 2HD LYS 3 3HD LYS 3 -0.845 -8.768 -6.861 21 1HE LYS 3 2HE LYS 3 -2.877 -10.630 -6.714 22 2HE LYS 3 3HE LYS 3 -2.097 -11.121 -8.205 23 1HZ LYS 3 1HZ LYS 3 -0.069 -11.379 -7.088 24 2HZ LYS 3 2HZ LYS 3 -0.592 -10.624 -5.738 25 3HZ LYS 3 3HZ LYS 3 -1.182 -12.095 -6.130 26 H ALA 4 HN ALA 4 -2.721 -4.354 -8.162 27 HA ALA 4 HA ALA 4 -0.003 -4.380 -9.162 28 1HB ALA 4 1HB ALA 4 -0.546 -2.221 -7.346 29 2HB ALA 4 2HB ALA 4 -0.336 -2.161 -9.113 30 3HB ALA 4 3HB ALA 4 -1.953 -2.423 -8.417 31 H VAL 5 HN VAL 5 1.873 -4.277 -7.767 32 HA VAL 5 HA VAL 5 1.342 -5.207 -5.035 33 HB VAL 5 HB VAL 5 3.599 -6.229 -6.751 34 1HG1 VAL 5 1HG1 VAL 5 4.121 -6.676 -4.532 35 2HG1 VAL 5 2HG1 VAL 5 2.421 -6.933 -4.071 36 3HG1 VAL 5 3HG1 VAL 5 3.281 -8.166 -5.024 37 1HG2 VAL 5 1HG2 VAL 5 1.273 -6.734 -7.710 38 2HG2 VAL 5 2HG2 VAL 5 2.351 -8.118 -7.409 39 3HG2 VAL 5 3HG2 VAL 5 1.032 -7.753 -6.271 40 H ALA 6 HN ALA 6 2.953 -4.572 -3.467 41 HA ALA 6 HA ALA 6 5.063 -2.822 -4.361 42 1HB ALA 6 1HB ALA 6 4.112 -1.071 -2.626 43 2HB ALA 6 2HB ALA 6 3.509 -1.091 -4.301 44 3HB ALA 6 3HB ALA 6 2.556 -1.850 -3.003 45 H VAL 7 HN VAL 7 6.428 -4.426 -3.430 46 HA VAL 7 HA VAL 7 6.000 -5.124 -0.664 47 HB VAL 7 HB VAL 7 6.710 -6.828 -2.195 48 1HG1 VAL 7 1HG1 VAL 7 8.048 -6.387 -3.922 49 2HG1 VAL 7 2HG1 VAL 7 8.363 -4.757 -3.280 50 3HG1 VAL 7 3HG1 VAL 7 9.404 -6.119 -2.801 51 1HG2 VAL 7 1HG2 VAL 7 7.550 -6.995 0.097 52 2HG2 VAL 7 2HG2 VAL 7 8.738 -7.648 -1.057 53 3HG2 VAL 7 3HG2 VAL 7 8.985 -6.036 -0.343 54 H LEU 8 HN LEU 8 6.375 -3.454 0.745 55 HA LEU 8 HA LEU 8 8.086 -1.352 0.348 56 1HB LEU 8 2HB LEU 8 7.065 -2.692 2.843 57 2HB LEU 8 3HB LEU 8 8.079 -1.264 2.906 58 HG LEU 8 HG LEU 8 5.530 -0.972 3.050 59 1HD1 LEU 8 1HD1 LEU 8 5.829 1.190 2.511 60 2HD1 LEU 8 2HD1 LEU 8 7.529 0.705 2.302 61 3HD1 LEU 8 3HD1 LEU 8 6.454 0.815 0.888 62 1HD2 LEU 8 1HD2 LEU 8 5.810 -1.486 0.078 63 2HD2 LEU 8 2HD2 LEU 8 4.828 -2.396 1.250 64 3HD2 LEU 8 3HD2 LEU 8 4.399 -0.717 0.844 65 H LYS 9 HN LYS 9 10.264 -0.980 0.533 66 HA LYS 9 HA LYS 9 11.926 -2.809 1.967 67 1HB LYS 9 2HB LYS 9 11.379 -3.785 -0.443 68 2HB LYS 9 3HB LYS 9 12.621 -2.655 -0.942 69 1HG LYS 9 2HG LYS 9 13.237 -4.332 1.471 70 2HG LYS 9 3HG LYS 9 13.173 -5.173 -0.065 71 1HD LYS 9 2HD LYS 9 15.068 -4.137 -0.875 72 2HD LYS 9 3HD LYS 9 14.684 -2.602 -0.123 73 1HE LYS 9 2HE LYS 9 15.570 -3.275 1.995 74 2HE LYS 9 3HE LYS 9 15.519 -4.977 1.580 75 1HZ LYS 9 1HZ LYS 9 17.583 -4.755 0.893 76 2HZ LYS 9 2HZ LYS 9 17.097 -3.762 -0.309 77 3HZ LYS 9 3HZ LYS 9 17.572 -3.138 1.123 78 H GLY 10 HN GLY 10 13.649 -1.696 2.775 79 1HA GLY 10 1HA GLY 10 15.051 0.310 1.424 80 2HA GLY 10 2HA GLY 10 13.814 1.089 2.390 81 H ASP 11 HN ASP 11 14.043 1.248 4.632 82 HA ASP 11 HA ASP 11 16.391 1.322 5.783 83 1HB ASP 11 2HB ASP 11 14.385 1.991 6.975 84 2HB ASP 11 3HB ASP 11 13.760 0.354 6.975 85 H GLY 12 HN GLY 12 14.222 -1.605 5.740 86 1HA GLY 12 1HA GLY 12 15.785 -3.614 5.151 87 2HA GLY 12 2HA GLY 12 16.415 -3.267 6.749 88 HA PRO 13 HA PRO 13 12.909 -5.070 8.614 89 1HB PRO 13 2HB PRO 13 11.827 -3.285 10.378 90 2HB PRO 13 3HB PRO 13 13.286 -4.198 10.712 91 1HG PRO 13 2HG PRO 13 13.009 -1.345 9.988 92 2HG PRO 13 3HG PRO 13 14.371 -2.163 10.727 93 1HD PRO 13 2HD PRO 13 14.142 -1.342 7.989 94 2HD PRO 13 3HD PRO 13 15.453 -2.261 8.701 95 H VAL 14 HN VAL 14 11.977 -1.863 7.535 96 HA VAL 14 HA VAL 14 9.242 -2.428 7.395 97 HB VAL 14 HB VAL 14 11.034 -0.445 5.993 98 1HG1 VAL 14 1HG1 VAL 14 8.025 -0.759 5.854 99 2HG1 VAL 14 2HG1 VAL 14 8.851 0.779 5.508 100 3HG1 VAL 14 3HG1 VAL 14 9.192 -0.657 4.514 101 1HG2 VAL 14 1HG2 VAL 14 11.002 0.245 8.180 102 2HG2 VAL 14 2HG2 VAL 14 9.531 1.057 7.592 103 3HG2 VAL 14 3HG2 VAL 14 9.403 -0.467 8.502 104 H GLN 15 HN GLN 15 9.239 -4.646 6.533 105 HA GLN 15 HA GLN 15 9.781 -4.674 3.670 106 1HB GLN 15 2HB GLN 15 10.734 -6.394 5.574 107 2HB GLN 15 3HB GLN 15 9.275 -7.244 5.106 108 1HG GLN 15 2HG GLN 15 10.174 -6.647 2.626 109 2HG GLN 15 3HG GLN 15 11.715 -6.604 3.461 110 1HE2 GLN 15 1HE2 GLN 15 8.742 -8.568 3.652 111 2HE2 GLN 15 2HE2 GLN 15 9.502 -10.122 3.568 112 H GLY 16 HN GLY 16 7.419 -3.401 4.667 113 1HA GLY 16 1HA GLY 16 5.161 -4.996 4.884 114 2HA GLY 16 2HA GLY 16 5.204 -3.347 4.292 115 H ILE 17 HN ILE 17 3.359 -5.185 3.240 116 HA ILE 17 HA ILE 17 4.315 -5.305 0.494 117 HB ILE 17 HB ILE 17 3.301 -7.647 2.086 118 1HG1 ILE 17 2HG1 ILE 17 5.615 -7.618 0.163 119 2HG1 ILE 17 3HG1 ILE 17 5.812 -6.981 1.783 120 1HG2 ILE 17 1HG2 ILE 17 2.043 -8.228 0.336 121 2HG2 ILE 17 2HG2 ILE 17 2.780 -7.000 -0.721 122 3HG2 ILE 17 3HG2 ILE 17 3.579 -8.574 -0.493 123 1HD1 ILE 17 1HD1 ILE 17 6.377 -9.459 1.499 124 2HD1 ILE 17 2HD1 ILE 17 5.218 -9.090 2.798 125 3HD1 ILE 17 3HD1 ILE 17 4.637 -9.742 1.246 126 H ILE 18 HN ILE 18 2.966 -3.775 -0.345 127 HA ILE 18 HA ILE 18 0.130 -4.021 0.373 128 HB ILE 18 HB ILE 18 0.475 -1.899 0.960 129 1HG1 ILE 18 2HG1 ILE 18 0.083 -0.273 -0.855 130 2HG1 ILE 18 3HG1 ILE 18 0.438 -1.507 -2.047 131 1HG2 ILE 18 1HG2 ILE 18 2.821 -1.741 -0.952 132 2HG2 ILE 18 2HG2 ILE 18 2.324 -0.475 0.196 133 3HG2 ILE 18 3HG2 ILE 18 2.899 -2.047 0.800 134 1HD1 ILE 18 1HD1 ILE 18 -1.642 -2.403 -1.875 135 2HD1 ILE 18 2HD1 ILE 18 -1.548 -2.449 -0.098 136 3HD1 ILE 18 3HD1 ILE 18 -2.075 -0.963 -0.923 137 H ASN 19 HN ASN 19 -1.320 -4.599 -1.177 138 HA ASN 19 HA ASN 19 -0.293 -4.588 -3.906 139 1HB ASN 19 2HB ASN 19 -2.432 -6.565 -3.217 140 2HB ASN 19 3HB ASN 19 -1.035 -6.764 -4.256 141 1HD2 ASN 19 1HD2 ASN 19 0.348 -8.190 -3.568 142 2HD2 ASN 19 2HD2 ASN 19 0.761 -8.557 -1.927 143 H PHE 20 HN PHE 20 -1.835 -3.894 -5.518 144 HA PHE 20 HA PHE 20 -4.343 -2.864 -4.392 145 1HB PHE 20 2HB PHE 20 -2.338 -1.981 -6.510 146 2HB PHE 20 3HB PHE 20 -4.005 -1.476 -6.700 147 HD1 PHE 20 1HD PHE 20 -4.605 0.560 -5.807 148 HD2 PHE 20 2HD PHE 20 -1.376 -1.555 -4.044 149 HE1 PHE 20 1HE PHE 20 -4.202 2.480 -4.242 150 HE2 PHE 20 2HE PHE 20 -0.973 0.366 -2.479 151 HZ PHE 20 HZ PHE 20 -2.391 2.360 -2.596 152 H GLU 21 HN GLU 21 -6.052 -4.140 -4.927 153 HA GLU 21 HA GLU 21 -5.937 -5.392 -7.558 154 1HB GLU 21 2HB GLU 21 -6.035 -6.907 -5.522 155 2HB GLU 21 3HB GLU 21 -7.616 -6.244 -5.160 156 1HG GLU 21 2HG GLU 21 -8.598 -7.169 -7.126 157 2HG GLU 21 3HG GLU 21 -7.048 -7.394 -7.911 158 H GLN 22 HN GLN 22 -7.691 -5.149 -8.999 159 HA GLN 22 HA GLN 22 -9.929 -3.597 -8.016 160 1HB GLN 22 2HB GLN 22 -8.308 -1.972 -8.990 161 2HB GLN 22 3HB GLN 22 -8.321 -2.859 -10.501 162 1HG GLN 22 2HG GLN 22 -10.924 -2.501 -10.442 163 2HG GLN 22 3HG GLN 22 -10.585 -1.277 -9.234 164 1HE2 GLN 22 1HE2 GLN 22 -11.040 0.527 -10.319 165 2HE2 GLN 22 2HE2 GLN 22 -10.244 1.076 -11.756 166 H LYS 23 HN LYS 23 -11.004 -5.710 -8.161 167 HA LYS 23 HA LYS 23 -11.111 -7.041 -10.676 168 1HB LYS 23 2HB LYS 23 -11.676 -7.668 -8.007 169 2HB LYS 23 3HB LYS 23 -13.235 -7.719 -8.804 170 1HG LYS 23 2HG LYS 23 -11.848 -9.049 -10.684 171 2HG LYS 23 3HG LYS 23 -10.773 -9.379 -9.340 172 1HD LYS 23 2HD LYS 23 -12.365 -10.648 -8.184 173 2HD LYS 23 3HD LYS 23 -13.722 -9.785 -8.881 174 1HE LYS 23 2HE LYS 23 -13.689 -11.041 -10.869 175 2HE LYS 23 3HE LYS 23 -11.982 -11.412 -10.735 176 1HZ LYS 23 1HZ LYS 23 -13.521 -12.445 -8.576 177 2HZ LYS 23 2HZ LYS 23 -13.979 -13.047 -10.024 178 3HZ LYS 23 3HZ LYS 23 -12.430 -13.199 -9.529 179 H GLU 24 HN GLU 24 -11.617 -4.654 -11.579 180 HA GLU 24 HA GLU 24 -14.366 -4.829 -12.313 181 1HB GLU 24 2HB GLU 24 -13.707 -3.126 -10.159 182 2HB GLU 24 3HB GLU 24 -13.847 -2.052 -11.537 183 1HG GLU 24 2HG GLU 24 -15.958 -4.155 -10.894 184 2HG GLU 24 3HG GLU 24 -16.017 -2.538 -10.223 185 H SER 25 HN SER 25 -11.329 -2.855 -12.338 186 HA SER 25 HA SER 25 -10.096 -2.271 -14.067 187 1HB SER 25 2HB SER 25 -11.422 -4.207 -15.325 188 2HB SER 25 3HB SER 25 -12.235 -2.871 -16.115 189 HG SER 25 HG SER 25 -9.653 -3.842 -16.481 190 H ASN 26 HN ASN 26 -13.191 -1.207 -13.187 191 HA ASN 26 HA ASN 26 -12.564 1.422 -14.070 192 1HB ASN 26 2HB ASN 26 -14.498 -0.231 -15.547 193 2HB ASN 26 3HB ASN 26 -15.285 1.183 -14.874 194 1HD2 ASN 26 1HD2 ASN 26 -15.002 0.776 -17.586 195 2HD2 ASN 26 2HD2 ASN 26 -13.939 1.960 -18.270 196 H GLY 27 HN GLY 27 -13.015 -0.235 -11.578 197 1HA GLY 27 1HA GLY 27 -15.262 1.318 -10.446 198 2HA GLY 27 2HA GLY 27 -15.039 -0.385 -10.099 199 HA PRO 28 HA PRO 28 -12.719 1.742 -6.885 200 1HB PRO 28 2HB PRO 28 -13.599 0.228 -4.786 201 2HB PRO 28 3HB PRO 28 -14.367 1.725 -5.277 202 1HG PRO 28 2HG PRO 28 -15.281 -1.054 -5.703 203 2HG PRO 28 3HG PRO 28 -16.206 0.432 -5.795 204 1HD PRO 28 2HD PRO 28 -15.237 -1.126 -8.000 205 2HD PRO 28 3HD PRO 28 -16.060 0.418 -8.090 206 H VAL 29 HN VAL 29 -10.660 1.378 -6.239 207 HA VAL 29 HA VAL 29 -9.723 -1.288 -6.921 208 HB VAL 29 HB VAL 29 -8.277 1.270 -6.205 209 1HG1 VAL 29 1HG1 VAL 29 -7.213 -1.406 -7.163 210 2HG1 VAL 29 2HG1 VAL 29 -6.263 0.098 -7.097 211 3HG1 VAL 29 3HG1 VAL 29 -6.899 -0.620 -5.598 212 1HG2 VAL 29 1HG2 VAL 29 -9.647 0.974 -8.443 213 2HG2 VAL 29 2HG2 VAL 29 -8.030 1.717 -8.453 214 3HG2 VAL 29 3HG2 VAL 29 -8.230 0.013 -8.928 215 H LYS 30 HN LYS 30 -9.716 -2.832 -5.377 216 HA LYS 30 HA LYS 30 -10.003 -2.134 -2.638 217 1HB LYS 30 2HB LYS 30 -10.064 -4.555 -4.298 218 2HB LYS 30 3HB LYS 30 -9.344 -4.819 -2.723 219 1HG LYS 30 2HG LYS 30 -11.394 -3.509 -1.770 220 2HG LYS 30 3HG LYS 30 -12.118 -3.738 -3.349 221 1HD LYS 30 2HD LYS 30 -11.212 -6.299 -2.786 222 2HD LYS 30 3HD LYS 30 -11.634 -5.721 -1.186 223 1HE LYS 30 2HE LYS 30 -13.611 -5.171 -3.385 224 2HE LYS 30 3HE LYS 30 -13.453 -6.837 -2.866 225 1HZ LYS 30 1HZ LYS 30 -14.767 -4.773 -1.575 226 2HZ LYS 30 2HZ LYS 30 -14.637 -6.331 -1.102 227 3HZ LYS 30 3HZ LYS 30 -13.535 -5.233 -0.606 228 H VAL 31 HN VAL 31 -8.266 -0.892 -1.917 229 HA VAL 31 HA VAL 31 -5.593 -1.913 -2.387 230 HB VAL 31 HB VAL 31 -6.524 0.535 -0.876 231 1HG1 VAL 31 1HG1 VAL 31 -3.831 -0.349 -1.948 232 2HG1 VAL 31 2HG1 VAL 31 -4.189 1.332 -1.483 233 3HG1 VAL 31 3HG1 VAL 31 -4.279 0.033 -0.268 234 1HG2 VAL 31 1HG2 VAL 31 -5.960 0.097 -3.811 235 2HG2 VAL 31 2HG2 VAL 31 -7.363 0.878 -3.042 236 3HG2 VAL 31 3HG2 VAL 31 -5.784 1.700 -3.056 237 H TRP 32 HN TRP 32 -4.407 -3.064 -0.926 238 HA TRP 32 HA TRP 32 -5.006 -2.911 1.870 239 1HB TRP 32 2HB TRP 32 -6.030 -4.868 2.266 240 2HB TRP 32 3HB TRP 32 -6.656 -4.602 0.651 241 HD1 TRP 32 HD1 TRP 32 -3.981 -6.742 2.465 242 HE1 TRP 32 HE1 TRP 32 -3.354 -8.874 1.042 243 HE3 TRP 32 HE3 TRP 32 -6.681 -5.440 -1.642 244 HZ2 TRP 32 HZ2 TRP 32 -4.042 -9.756 -1.584 245 HZ3 TRP 32 HZ3 TRP 32 -6.650 -6.992 -3.592 246 HH2 TRP 32 HH2 TRP 32 -5.389 -9.086 -3.608 247 H GLY 33 HN GLY 33 -3.244 -3.823 3.109 248 1HA GLY 33 1HA GLY 33 -1.132 -5.253 1.784 249 2HA GLY 33 2HA GLY 33 -0.730 -3.575 2.090 250 H SER 34 HN SER 34 0.962 -4.859 3.463 251 HA SER 34 HA SER 34 0.044 -4.671 6.154 252 1HB SER 34 2HB SER 34 0.968 -6.995 6.727 253 2HB SER 34 3HB SER 34 -0.578 -6.957 5.903 254 HG SER 34 HG SER 34 1.711 -8.183 5.122 255 H ILE 35 HN ILE 35 1.676 -3.623 7.234 256 HA ILE 35 HA ILE 35 4.303 -3.616 5.995 257 HB ILE 35 HB ILE 35 2.710 -1.811 7.639 258 1HG1 ILE 35 2HG1 ILE 35 5.177 -1.113 6.066 259 2HG1 ILE 35 3HG1 ILE 35 3.716 -1.602 5.233 260 1HG2 ILE 35 1HG2 ILE 35 5.668 -2.016 8.263 261 2HG2 ILE 35 2HG2 ILE 35 4.519 -0.810 8.890 262 3HG2 ILE 35 3HG2 ILE 35 4.352 -2.522 9.349 263 1HD1 ILE 35 1HD1 ILE 35 3.532 0.763 5.392 264 2HD1 ILE 35 2HD1 ILE 35 2.490 0.162 6.704 265 3HD1 ILE 35 3HD1 ILE 35 4.118 0.781 7.072 266 H LYS 36 HN LYS 36 6.243 -3.701 7.553 267 HA LYS 36 HA LYS 36 5.779 -5.360 9.874 268 1HB LYS 36 2HB LYS 36 7.407 -6.358 7.518 269 2HB LYS 36 3HB LYS 36 7.385 -7.095 9.107 270 1HG LYS 36 2HG LYS 36 4.743 -7.094 8.754 271 2HG LYS 36 3HG LYS 36 5.161 -6.947 7.059 272 1HD LYS 36 2HD LYS 36 6.808 -8.965 7.559 273 2HD LYS 36 3HD LYS 36 5.800 -9.210 8.971 274 1HE LYS 36 2HE LYS 36 3.777 -9.368 7.520 275 2HE LYS 36 3HE LYS 36 4.760 -9.076 6.099 276 1HZ LYS 36 1HZ LYS 36 5.640 -11.225 7.795 277 2HZ LYS 36 2HZ LYS 36 4.226 -11.479 7.019 278 3HZ LYS 36 3HZ LYS 36 5.577 -11.141 6.165 279 H GLY 37 HN GLY 37 6.899 -4.348 11.443 280 1HA GLY 37 1HA GLY 37 9.275 -3.994 12.110 281 2HA GLY 37 2HA GLY 37 9.423 -3.016 10.663 282 H LEU 38 HN LEU 38 7.028 -1.569 10.597 283 HA LEU 38 HA LEU 38 7.565 0.479 12.394 284 1HB LEU 38 2HB LEU 38 5.273 -0.198 10.583 285 2HB LEU 38 3HB LEU 38 5.157 1.166 11.677 286 HG LEU 38 HG LEU 38 7.628 1.523 10.427 287 1HD1 LEU 38 1HD1 LEU 38 6.499 -0.315 8.837 288 2HD1 LEU 38 2HD1 LEU 38 5.777 1.152 8.132 289 3HD1 LEU 38 3HD1 LEU 38 7.547 0.988 8.227 290 1HD2 LEU 38 1HD2 LEU 38 6.117 3.249 9.071 291 2HD2 LEU 38 2HD2 LEU 38 4.928 2.776 10.309 292 3HD2 LEU 38 3HD2 LEU 38 6.497 3.460 10.797 293 H THR 39 HN THR 39 7.785 -0.591 14.475 294 HA THR 39 HA THR 39 6.061 -2.174 15.776 295 HB THR 39 HB THR 39 6.916 -1.054 17.838 296 HG1 THR 39 1HG THR 39 7.803 0.867 15.800 297 1HG2 THR 39 1HG2 THR 39 9.252 -0.599 16.029 298 2HG2 THR 39 2HG2 THR 39 9.136 -1.605 17.493 299 3HG2 THR 39 3HG2 THR 39 8.538 -2.227 15.936 300 H GLU 40 HN GLU 40 4.283 -1.917 17.266 301 HA GLU 40 HA GLU 40 2.144 -0.723 16.207 302 1HB GLU 40 2HB GLU 40 1.023 -1.183 18.232 303 2HB GLU 40 3HB GLU 40 2.359 -2.317 18.245 304 1HG GLU 40 2HG GLU 40 3.682 -0.566 19.593 305 2HG GLU 40 3HG GLU 40 2.185 0.333 19.744 306 H GLY 41 HN GLY 41 1.391 1.340 15.915 307 1HA GLY 41 1HA GLY 41 1.143 3.450 17.382 308 2HA GLY 41 2HA GLY 41 2.888 3.506 17.228 309 H LEU 42 HN LEU 42 1.531 5.669 16.263 310 HA LEU 42 HA LEU 42 0.785 5.354 13.539 311 1HB LEU 42 2HB LEU 42 1.286 7.718 15.335 312 2HB LEU 42 3HB LEU 42 0.917 7.907 13.632 313 HG LEU 42 HG LEU 42 -1.212 6.604 14.035 314 1HD1 LEU 42 1HD1 LEU 42 -1.027 5.408 15.977 315 2HD1 LEU 42 2HD1 LEU 42 -0.154 6.704 16.830 316 3HD1 LEU 42 3HD1 LEU 42 -1.910 6.835 16.570 317 1HD2 LEU 42 1HD2 LEU 42 -2.051 8.691 15.602 318 2HD2 LEU 42 2HD2 LEU 42 -0.561 9.340 14.877 319 3HD2 LEU 42 3HD2 LEU 42 -1.867 8.733 13.832 320 H HIS 43 HN HIS 43 1.906 6.337 11.680 321 HA HIS 43 HA HIS 43 4.682 6.956 12.041 322 1HB HIS 43 2HB HIS 43 3.941 4.543 10.367 323 2HB HIS 43 3HB HIS 43 5.547 5.200 10.611 324 HD1 HIS 43 HD1 HIS 43 6.430 5.098 13.223 325 HD2 HIS 43 HD2 HIS 43 3.217 2.611 12.181 326 HE1 HIS 43 HE1 HIS 43 6.294 3.309 15.037 327 H GLY 44 HN GLY 44 3.597 8.976 11.280 328 1HA GLY 44 1HA GLY 44 2.722 10.337 9.664 329 2HA GLY 44 2HA GLY 44 4.175 9.803 8.843 330 H PHE 45 HN PHE 45 3.502 9.634 6.712 331 HA PHE 45 HA PHE 45 1.640 7.490 6.169 332 1HB PHE 45 2HB PHE 45 0.373 9.736 6.382 333 2HB PHE 45 3HB PHE 45 1.353 10.349 5.065 334 HD1 PHE 45 1HD PHE 45 0.283 10.417 3.037 335 HD2 PHE 45 2HD PHE 45 -0.674 7.270 5.719 336 HE1 PHE 45 1HE PHE 45 -1.374 9.511 1.383 337 HE2 PHE 45 2HE PHE 45 -2.330 6.364 4.065 338 HZ PHE 45 HZ PHE 45 -2.660 7.495 1.917 339 H HIS 46 HN HIS 46 1.448 7.295 3.601 340 HA HIS 46 HA HIS 46 4.199 7.416 2.672 341 1HB HIS 46 2HB HIS 46 3.022 5.987 0.772 342 2HB HIS 46 3HB HIS 46 3.547 5.280 2.287 343 HD1 HIS 46 HD1 HIS 46 1.819 3.511 2.730 344 HD2 HIS 46 HD2 HIS 46 0.104 7.192 1.680 345 HE1 HIS 46 HE1 HIS 46 -0.701 3.235 3.021 346 H VAL 47 HN VAL 47 4.274 7.730 0.089 347 HA VAL 47 HA VAL 47 3.946 9.048 -1.665 348 HB VAL 47 HB VAL 47 1.484 10.190 -0.354 349 1HG1 VAL 47 1HG1 VAL 47 0.933 9.873 -3.008 350 2HG1 VAL 47 2HG1 VAL 47 1.580 11.364 -2.282 351 3HG1 VAL 47 3HG1 VAL 47 2.682 10.202 -3.058 352 1HG2 VAL 47 1HG2 VAL 47 1.031 7.911 -0.124 353 2HG2 VAL 47 2HG2 VAL 47 0.305 8.309 -1.700 354 3HG2 VAL 47 3HG2 VAL 47 1.882 7.486 -1.629 355 H HIS 48 HN HIS 48 5.919 9.817 -0.181 356 HA HIS 48 HA HIS 48 5.672 12.688 -0.158 357 1HB HIS 48 2HB HIS 48 6.268 13.061 2.074 358 2HB HIS 48 3HB HIS 48 5.000 11.854 2.143 359 HD1 HIS 48 HD1 HIS 48 5.595 9.527 3.081 360 HD2 HIS 48 HD2 HIS 48 8.891 12.098 2.735 361 HE1 HIS 48 HE1 HIS 48 7.511 8.404 4.337 362 H GLU 49 HN GLU 49 7.285 13.186 -1.561 363 HA GLU 49 HA GLU 49 9.677 11.555 -1.441 364 1HB GLU 49 2HB GLU 49 8.376 13.287 -3.522 365 2HB GLU 49 3HB GLU 49 10.122 13.146 -3.581 366 1HG GLU 49 2HG GLU 49 9.798 11.199 -4.710 367 2HG GLU 49 3HG GLU 49 9.326 10.501 -3.174 368 H GLU 50 HN GLU 50 10.766 12.377 0.394 369 HA GLU 50 HA GLU 50 11.541 15.177 0.117 370 1HB GLU 50 2HB GLU 50 11.150 13.583 2.689 371 2HB GLU 50 3HB GLU 50 11.745 15.230 2.613 372 1HG GLU 50 2HG GLU 50 9.520 15.672 1.224 373 2HG GLU 50 3HG GLU 50 8.973 14.188 1.977 374 H GLU 51 HN GLU 51 13.286 14.196 -1.289 375 HA GLU 51 HA GLU 51 15.646 14.054 0.123 376 1HB GLU 51 2HB GLU 51 14.281 11.543 0.091 377 2HB GLU 51 3HB GLU 51 15.622 11.390 -1.027 378 1HG GLU 51 2HG GLU 51 17.190 11.485 0.641 379 2HG GLU 51 3HG GLU 51 16.367 12.789 1.474 380 H ASP 52 HN ASP 52 17.368 12.728 -1.584 381 HA ASP 52 HA ASP 52 16.736 12.836 -4.253 382 1HB ASP 52 2HB ASP 52 16.592 15.344 -3.663 383 2HB ASP 52 3HB ASP 52 18.318 15.289 -3.367 384 H ASN 53 HN ASN 53 18.453 11.753 -5.307 385 HA ASN 53 HA ASN 53 20.493 11.067 -5.738 386 1HB ASN 53 2HB ASN 53 21.186 13.324 -4.406 387 2HB ASN 53 3HB ASN 53 21.728 12.167 -3.206 388 1HD2 ASN 53 1HD2 ASN 53 23.806 11.854 -3.346 389 2HD2 ASN 53 2HD2 ASN 53 24.751 11.664 -4.785 390 H THR 54 HN THR 54 18.683 9.397 -4.538 391 HA THR 54 HA THR 54 20.005 8.196 -2.214 392 HB THR 54 HB THR 54 17.499 8.865 -2.281 393 HG1 THR 54 1HG THR 54 17.081 6.805 -1.166 394 1HG2 THR 54 1HG2 THR 54 17.128 7.822 -4.620 395 2HG2 THR 54 2HG2 THR 54 17.305 6.237 -3.829 396 3HG2 THR 54 3HG2 THR 54 15.974 7.323 -3.360 397 H ALA 55 HN ALA 55 18.809 7.420 -5.529 398 HA ALA 55 HA ALA 55 19.546 5.912 -6.983 399 1HB ALA 55 1HB ALA 55 21.663 4.924 -5.069 400 2HB ALA 55 2HB ALA 55 21.722 5.064 -6.843 401 3HB ALA 55 3HB ALA 55 21.823 6.525 -5.831 402 H GLY 56 HN GLY 56 18.209 4.222 -7.352 403 1HA GLY 56 1HA GLY 56 17.803 1.891 -6.942 404 2HA GLY 56 2HA GLY 56 17.964 2.188 -5.222 405 H CYS 57 HN CYS 57 16.448 4.618 -4.982 406 HA CYS 57 HA CYS 57 13.801 3.475 -5.327 407 1HB CYS 57 2HB CYS 57 14.851 4.529 -3.142 408 2HB CYS 57 3HB CYS 57 14.308 6.032 -3.861 409 H THR 58 HN THR 58 12.717 6.357 -5.089 410 HA THR 58 HA THR 58 13.491 7.444 -7.686 411 HB THR 58 HB THR 58 11.093 7.512 -8.381 412 HG1 THR 58 1HG THR 58 9.593 6.484 -6.907 413 1HG2 THR 58 1HG2 THR 58 12.294 5.446 -9.052 414 2HG2 THR 58 2HG2 THR 58 11.995 4.735 -7.448 415 3HG2 THR 58 3HG2 THR 58 10.635 5.038 -8.555 416 H SER 59 HN SER 59 14.000 9.512 -7.395 417 HA SER 59 HA SER 59 12.201 11.189 -6.007 418 1HB SER 59 2HB SER 59 14.372 10.024 -4.497 419 2HB SER 59 3HB SER 59 14.686 11.739 -4.674 420 HG SER 59 HG SER 59 13.409 11.460 -2.817 421 H ALA 60 HN ALA 60 12.260 12.160 -8.155 422 HA ALA 60 HA ALA 60 14.768 13.611 -8.661 423 1HB ALA 60 1HB ALA 60 13.051 11.932 -10.385 424 2HB ALA 60 2HB ALA 60 13.463 13.516 -11.085 425 3HB ALA 60 3HB ALA 60 14.756 12.403 -10.580 426 H GLY 61 HN GLY 61 11.170 13.591 -8.714 427 1HA GLY 61 1HA GLY 61 11.232 16.498 -8.334 428 2HA GLY 61 2HA GLY 61 10.332 15.860 -9.696 429 HA PRO 62 HA PRO 62 8.241 14.682 -5.575 430 1HB PRO 62 2HB PRO 62 8.533 16.504 -3.559 431 2HB PRO 62 3HB PRO 62 9.478 15.032 -3.664 432 1HG PRO 62 2HG PRO 62 10.303 17.809 -4.252 433 2HG PRO 62 3HG PRO 62 11.308 16.408 -3.940 434 1HD PRO 62 2HD PRO 62 10.777 17.605 -6.492 435 2HD PRO 62 3HD PRO 62 11.686 16.137 -6.192 436 H HIS 63 HN HIS 63 6.081 14.904 -5.595 437 HA HIS 63 HA HIS 63 5.098 17.615 -5.738 438 1HB HIS 63 2HB HIS 63 5.348 15.955 -8.079 439 2HB HIS 63 3HB HIS 63 3.649 16.214 -7.736 440 HD1 HIS 63 HD1 HIS 63 5.529 17.507 -10.098 441 HD2 HIS 63 HD2 HIS 63 3.994 19.407 -6.688 442 HE1 HIS 63 HE1 HIS 63 5.460 20.000 -10.639 443 H PHE 64 HN PHE 64 4.485 16.883 -3.534 444 HA PHE 64 HA PHE 64 2.866 14.676 -3.087 445 1HB PHE 64 2HB PHE 64 2.719 17.391 -1.667 446 2HB PHE 64 3HB PHE 64 2.486 15.813 -0.941 447 HD1 PHE 64 1HD PHE 64 4.897 18.330 -1.897 448 HD2 PHE 64 2HD PHE 64 4.449 14.320 -0.583 449 HE1 PHE 64 1HE PHE 64 7.316 18.279 -1.229 450 HE2 PHE 64 2HE PHE 64 6.868 14.269 0.085 451 HZ PHE 64 HZ PHE 64 8.273 16.249 -0.246 452 H ASN 65 HN ASN 65 0.658 15.966 -1.610 453 HA ASN 65 HA ASN 65 -1.048 16.341 -3.901 454 1HB ASN 65 2HB ASN 65 -1.382 15.513 -1.045 455 2HB ASN 65 3HB ASN 65 -2.704 16.470 -1.681 456 1HD2 ASN 65 1HD2 ASN 65 -4.009 14.604 -1.437 457 2HD2 ASN 65 2HD2 ASN 65 -4.012 13.336 -2.617 458 HA PRO 66 HA PRO 66 -0.935 20.669 -2.955 459 1HB PRO 66 2HB PRO 66 -2.378 21.547 -5.104 460 2HB PRO 66 3HB PRO 66 -0.652 21.252 -5.165 461 1HG PRO 66 2HG PRO 66 -2.852 19.617 -6.271 462 2HG PRO 66 3HG PRO 66 -1.147 19.579 -6.673 463 1HD PRO 66 2HD PRO 66 -2.567 17.699 -5.036 464 2HD PRO 66 3HD PRO 66 -0.842 17.728 -5.344 465 H LEU 67 HN LEU 67 -2.123 20.170 -0.974 466 HA LEU 67 HA LEU 67 -4.438 21.721 -0.890 467 1HB LEU 67 2HB LEU 67 -5.138 19.520 -2.144 468 2HB LEU 67 3HB LEU 67 -5.167 18.843 -0.528 469 HG LEU 67 HG LEU 67 -7.385 19.567 -1.228 470 1HD1 LEU 67 1HD1 LEU 67 -6.475 21.497 0.905 471 2HD1 LEU 67 2HD1 LEU 67 -8.033 20.651 0.751 472 3HD1 LEU 67 3HD1 LEU 67 -6.566 19.741 1.185 473 1HD2 LEU 67 1HD2 LEU 67 -7.967 21.815 -1.745 474 2HD2 LEU 67 2HD2 LEU 67 -6.346 22.407 -1.309 475 3HD2 LEU 67 3HD2 LEU 67 -6.563 21.390 -2.754 476 H SER 68 HN SER 68 -2.597 18.932 0.451 477 HA SER 68 HA SER 68 -3.272 18.736 2.929 478 1HB SER 68 2HB SER 68 -1.117 17.916 1.743 479 2HB SER 68 3HB SER 68 -0.366 19.392 2.318 480 HG SER 68 HG SER 68 -0.526 18.724 4.426 481 H ARG 69 HN ARG 69 -0.660 21.182 2.299 482 HA ARG 69 HA ARG 69 -0.357 23.205 3.015 483 1HB ARG 69 2HB ARG 69 -3.258 23.013 3.084 484 2HB ARG 69 3HB ARG 69 -2.726 23.949 4.467 485 1HG ARG 69 2HG ARG 69 -1.149 24.864 2.277 486 2HG ARG 69 3HG ARG 69 -2.777 24.708 1.648 487 1HD ARG 69 2HD ARG 69 -3.594 26.423 2.955 488 2HD ARG 69 3HD ARG 69 -2.635 25.961 4.347 489 HE ARG 69 HE ARG 69 -0.809 26.936 2.421 490 1HH1 ARG 69 2HH2 ARG 69 -3.523 28.172 4.289 491 2HH1 ARG 69 1HH2 ARG 69 -2.925 29.798 4.321 492 1HH2 ARG 69 2HH1 ARG 69 -0.020 29.080 2.463 493 2HH2 ARG 69 1HH1 ARG 69 -0.919 30.318 3.275 494 H LYS 70 HN LYS 70 -2.564 21.569 5.416 495 HA LYS 70 HA LYS 70 -0.509 22.104 7.449 496 1HB LYS 70 2HB LYS 70 -3.439 22.547 7.445 497 2HB LYS 70 3HB LYS 70 -2.796 21.806 8.896 498 1HG LYS 70 2HG LYS 70 -1.489 23.663 9.446 499 2HG LYS 70 3HG LYS 70 -1.281 24.152 7.776 500 1HD LYS 70 2HD LYS 70 -3.158 25.460 7.796 501 2HD LYS 70 3HD LYS 70 -4.108 24.250 8.634 502 1HE LYS 70 2HE LYS 70 -2.011 25.979 10.027 503 2HE LYS 70 3HE LYS 70 -3.704 26.419 9.933 504 1HZ LYS 70 1HZ LYS 70 -3.894 23.950 10.829 505 2HZ LYS 70 2HZ LYS 70 -2.451 24.348 11.480 506 3HZ LYS 70 3HZ LYS 70 -3.773 25.246 11.816 507 H HIS 71 HN HIS 71 -1.288 20.472 9.476 508 HA HIS 71 HA HIS 71 -0.314 18.041 8.769 509 1HB HIS 71 2HB HIS 71 -1.685 17.279 10.878 510 2HB HIS 71 3HB HIS 71 -0.316 18.363 11.026 511 HD1 HIS 71 HD1 HIS 71 -1.237 19.437 13.203 512 HD2 HIS 71 HD2 HIS 71 -3.773 19.848 9.888 513 HE1 HIS 71 HE1 HIS 71 -3.010 21.148 13.867 514 H GLY 72 HN GLY 72 -3.605 17.795 10.060 515 1HA GLY 72 1HA GLY 72 -5.491 17.415 8.524 516 2HA GLY 72 2HA GLY 72 -4.412 16.423 7.564 517 H GLY 73 HN GLY 73 -6.987 15.793 9.085 518 1HA GLY 73 1HA GLY 73 -6.960 13.294 9.670 519 2HA GLY 73 2HA GLY 73 -5.965 13.816 11.014 520 HA PRO 74 HA PRO 74 -9.995 14.249 12.795 521 1HB PRO 74 2HB PRO 74 -9.214 13.974 15.400 522 2HB PRO 74 3HB PRO 74 -9.645 12.616 14.380 523 1HG PRO 74 2HG PRO 74 -6.963 13.502 15.250 524 2HG PRO 74 3HG PRO 74 -7.450 11.947 14.606 525 1HD PRO 74 2HD PRO 74 -6.046 14.020 13.207 526 2HD PRO 74 3HD PRO 74 -6.635 12.514 12.533 527 H LYS 75 HN LYS 75 -7.488 16.267 12.539 528 HA LYS 75 HA LYS 75 -9.069 18.384 13.767 529 1HB LYS 75 2HB LYS 75 -6.848 19.323 14.677 530 2HB LYS 75 3HB LYS 75 -7.644 18.041 15.569 531 1HG LYS 75 2HG LYS 75 -6.163 16.385 14.243 532 2HG LYS 75 3HG LYS 75 -5.254 17.779 13.695 533 1HD LYS 75 2HD LYS 75 -4.067 17.754 15.623 534 2HD LYS 75 3HD LYS 75 -5.534 18.086 16.522 535 1HE LYS 75 2HE LYS 75 -6.012 15.527 16.354 536 2HE LYS 75 3HE LYS 75 -4.346 15.367 15.837 537 1HZ LYS 75 1HZ LYS 75 -5.229 15.542 18.397 538 2HZ LYS 75 2HZ LYS 75 -3.675 15.643 17.905 539 3HZ LYS 75 3HZ LYS 75 -4.552 17.003 18.125 540 H ASP 76 HN ASP 76 -9.284 18.008 11.161 541 HA ASP 76 HA ASP 76 -8.702 20.227 9.949 542 1HB ASP 76 2HB ASP 76 -6.353 20.244 10.227 543 2HB ASP 76 3HB ASP 76 -6.211 18.514 9.991 544 H GLU 77 HN GLU 77 -9.974 19.964 8.104 545 HA GLU 77 HA GLU 77 -10.405 17.288 7.175 546 1HB GLU 77 2HB GLU 77 -12.403 18.546 7.357 547 2HB GLU 77 3HB GLU 77 -11.686 19.979 6.646 548 1HG GLU 77 2HG GLU 77 -11.823 17.473 4.966 549 2HG GLU 77 3HG GLU 77 -13.303 18.375 5.227 550 H GLU 78 HN GLU 78 -8.201 19.789 6.530 551 HA GLU 78 HA GLU 78 -8.093 19.820 3.785 552 1HB GLU 78 2HB GLU 78 -6.621 20.901 5.932 553 2HB GLU 78 3HB GLU 78 -5.440 19.973 5.029 554 1HG GLU 78 2HG GLU 78 -5.349 21.603 3.459 555 2HG GLU 78 3HG GLU 78 -7.045 21.353 3.095 556 H ARG 79 HN ARG 79 -5.239 19.059 3.370 557 HA ARG 79 HA ARG 79 -5.719 16.204 3.193 558 1HB ARG 79 2HB ARG 79 -4.713 18.163 1.342 559 2HB ARG 79 3HB ARG 79 -3.386 17.074 1.692 560 1HG ARG 79 2HG ARG 79 -4.442 15.953 -0.076 561 2HG ARG 79 3HG ARG 79 -5.164 15.161 1.310 562 1HD ARG 79 2HD ARG 79 -6.547 17.637 0.310 563 2HD ARG 79 3HD ARG 79 -6.642 16.219 -0.715 564 HE ARG 79 HE ARG 79 -7.220 15.507 2.026 565 1HH1 ARG 79 2HH2 ARG 79 -8.629 17.085 -0.786 566 2HH1 ARG 79 1HH2 ARG 79 -10.262 16.733 -0.325 567 1HH2 ARG 79 2HH1 ARG 79 -9.373 15.043 2.635 568 2HH2 ARG 79 1HH1 ARG 79 -10.687 15.564 1.635 569 H HIS 80 HN HIS 80 -3.786 14.738 3.525 570 HA HIS 80 HA HIS 80 -1.986 15.920 5.513 571 1HB HIS 80 2HB HIS 80 -3.727 14.069 6.128 572 2HB HIS 80 3HB HIS 80 -2.603 12.980 5.340 573 HD1 HIS 80 HD1 HIS 80 -3.322 13.150 8.498 574 HD2 HIS 80 HD2 HIS 80 0.161 14.535 6.616 575 HE1 HIS 80 HE1 HIS 80 -1.518 13.227 10.301 576 H VAL 81 HN VAL 81 -1.242 16.423 2.957 577 HA VAL 81 HA VAL 81 0.216 15.989 1.326 578 HB VAL 81 HB VAL 81 1.664 16.748 3.068 579 1HG1 VAL 81 1HG1 VAL 81 1.064 15.295 4.889 580 2HG1 VAL 81 2HG1 VAL 81 1.691 13.869 4.028 581 3HG1 VAL 81 3HG1 VAL 81 2.812 15.127 4.601 582 1HG2 VAL 81 1HG2 VAL 81 3.544 14.703 2.430 583 2HG2 VAL 81 2HG2 VAL 81 2.495 14.937 1.011 584 3HG2 VAL 81 3HG2 VAL 81 3.374 16.320 1.706 585 H GLY 82 HN GLY 82 -1.724 14.019 1.328 586 1HA GLY 82 1HA GLY 82 -0.607 11.987 -0.153 587 2HA GLY 82 2HA GLY 82 -0.623 11.392 1.495 588 H ASP 83 HN ASP 83 -3.052 13.094 2.193 589 HA ASP 83 HA ASP 83 -5.232 13.069 2.049 590 1HB ASP 83 2HB ASP 83 -4.701 12.781 -0.561 591 2HB ASP 83 3HB ASP 83 -5.294 11.154 -0.290 592 H LEU 84 HN LEU 84 -5.086 11.747 4.038 593 HA LEU 84 HA LEU 84 -6.544 9.433 4.024 594 1HB LEU 84 2HB LEU 84 -4.017 8.901 2.973 595 2HB LEU 84 3HB LEU 84 -3.919 8.352 4.634 596 HG LEU 84 HG LEU 84 -4.569 6.487 3.331 597 1HD1 LEU 84 1HD1 LEU 84 -7.114 6.268 4.088 598 2HD1 LEU 84 2HD1 LEU 84 -5.762 6.182 5.243 599 3HD1 LEU 84 3HD1 LEU 84 -6.677 7.698 5.054 600 1HD2 LEU 84 1HD2 LEU 84 -6.604 6.509 1.879 601 2HD2 LEU 84 2HD2 LEU 84 -6.679 8.274 2.098 602 3HD2 LEU 84 3HD2 LEU 84 -5.271 7.536 1.298 603 H GLY 85 HN GLY 85 -3.382 9.885 5.714 604 1HA GLY 85 1HA GLY 85 -3.974 11.429 7.813 605 2HA GLY 85 2HA GLY 85 -4.789 9.942 8.254 606 H ASN 86 HN ASN 86 -3.602 8.602 9.531 607 HA ASN 86 HA ASN 86 -0.764 8.430 8.931 608 1HB ASN 86 2HB ASN 86 -2.026 8.680 11.713 609 2HB ASN 86 3HB ASN 86 -0.342 8.280 11.438 610 1HD2 ASN 86 1HD2 ASN 86 -0.800 10.396 12.934 611 2HD2 ASN 86 2HD2 ASN 86 -0.476 11.889 12.118 612 H VAL 87 HN VAL 87 -0.011 6.261 8.999 613 HA VAL 87 HA VAL 87 -2.044 4.248 9.422 614 HB VAL 87 HB VAL 87 -0.356 2.741 8.482 615 1HG1 VAL 87 1HG1 VAL 87 -0.012 4.341 6.295 616 2HG1 VAL 87 2HG1 VAL 87 -1.505 3.449 6.673 617 3HG1 VAL 87 3HG1 VAL 87 -1.356 5.166 7.121 618 1HG2 VAL 87 1HG2 VAL 87 1.600 4.500 7.470 619 2HG2 VAL 87 2HG2 VAL 87 1.441 4.892 9.199 620 3HG2 VAL 87 3HG2 VAL 87 1.812 3.226 8.695 621 H THR 88 HN THR 88 -1.761 2.422 10.866 622 HA THR 88 HA THR 88 0.249 2.840 12.959 623 HB THR 88 HB THR 88 -2.735 2.992 13.155 624 HG1 THR 88 1HG THR 88 -0.513 3.671 14.939 625 1HG2 THR 88 1HG2 THR 88 -0.988 1.549 15.218 626 2HG2 THR 88 2HG2 THR 88 -2.616 2.186 15.551 627 3HG2 THR 88 3HG2 THR 88 -2.400 0.867 14.375 628 H ALA 89 HN ALA 89 0.937 0.953 14.046 629 HA ALA 89 HA ALA 89 0.605 -1.401 12.405 630 1HB ALA 89 1HB ALA 89 2.212 -2.027 14.603 631 2HB ALA 89 2HB ALA 89 2.778 -1.495 13.001 632 3HB ALA 89 3HB ALA 89 2.547 -0.305 14.304 633 H ASP 90 HN ASP 90 0.470 -3.575 13.786 634 HA ASP 90 HA ASP 90 -2.014 -3.321 15.190 635 1HB ASP 90 2HB ASP 90 -1.886 -5.151 13.639 636 2HB ASP 90 3HB ASP 90 -0.310 -5.645 14.225 637 H LYS 91 HN LYS 91 0.284 -5.905 16.010 638 HA LYS 91 HA LYS 91 0.989 -4.569 18.509 639 1HB LYS 91 2HB LYS 91 0.311 -6.419 19.863 640 2HB LYS 91 3HB LYS 91 -1.067 -5.919 18.904 641 1HG LYS 91 2HG LYS 91 -0.406 -7.740 17.209 642 2HG LYS 91 3HG LYS 91 0.754 -8.312 18.391 643 1HD LYS 91 2HD LYS 91 -0.909 -9.032 19.890 644 2HD LYS 91 3HD LYS 91 -2.098 -7.895 19.289 645 1HE LYS 91 2HE LYS 91 -2.377 -9.196 17.216 646 2HE LYS 91 3HE LYS 91 -1.069 -10.271 17.668 647 1HZ LYS 91 1HZ LYS 91 -3.533 -9.936 19.233 648 2HZ LYS 91 2HZ LYS 91 -3.267 -11.153 18.177 649 3HZ LYS 91 3HZ LYS 91 -2.345 -11.021 19.518 650 H ASP 92 HN ASP 92 2.109 -5.614 15.723 651 HA ASP 92 HA ASP 92 4.456 -6.763 16.988 652 1HB ASP 92 2HB ASP 92 2.684 -8.019 15.006 653 2HB ASP 92 3HB ASP 92 4.324 -7.900 14.399 654 H GLY 93 HN GLY 93 3.298 -4.127 15.625 655 1HA GLY 93 1HA GLY 93 4.436 -2.394 14.659 656 2HA GLY 93 2HA GLY 93 5.746 -3.472 14.220 657 H VAL 94 HN VAL 94 3.127 -5.221 13.262 658 HA VAL 94 HA VAL 94 3.486 -4.446 10.524 659 HB VAL 94 HB VAL 94 1.769 -6.535 11.877 660 1HG1 VAL 94 1HG1 VAL 94 0.776 -6.968 9.927 661 2HG1 VAL 94 2HG1 VAL 94 1.543 -5.510 9.253 662 3HG1 VAL 94 3HG1 VAL 94 2.351 -7.089 9.105 663 1HG2 VAL 94 1HG2 VAL 94 4.585 -6.425 11.048 664 2HG2 VAL 94 2HG2 VAL 94 3.756 -7.546 12.154 665 3HG2 VAL 94 3HG2 VAL 94 3.706 -7.830 10.398 666 H ALA 95 HN ALA 95 2.069 -3.323 9.210 667 HA ALA 95 HA ALA 95 -0.414 -2.428 10.505 668 1HB ALA 95 1HB ALA 95 1.657 -0.779 10.214 669 2HB ALA 95 2HB ALA 95 1.045 -0.680 8.545 670 3HB ALA 95 3HB ALA 95 -0.008 -0.230 9.908 671 H ASP 96 HN ASP 96 -2.151 -3.196 9.422 672 HA ASP 96 HA ASP 96 -1.724 -3.930 6.650 673 1HB ASP 96 2HB ASP 96 -3.564 -5.419 6.887 674 2HB ASP 96 3HB ASP 96 -2.703 -5.546 8.409 675 H VAL 97 HN VAL 97 -3.398 -3.272 5.033 676 HA VAL 97 HA VAL 97 -5.027 -1.000 5.930 677 HB VAL 97 HB VAL 97 -3.447 -1.207 3.359 678 1HG1 VAL 97 1HG1 VAL 97 -5.098 1.082 4.484 679 2HG1 VAL 97 2HG1 VAL 97 -4.145 1.112 2.981 680 3HG1 VAL 97 3HG1 VAL 97 -5.557 0.037 3.118 681 1HG2 VAL 97 1HG2 VAL 97 -2.967 0.572 5.774 682 2HG2 VAL 97 2HG2 VAL 97 -2.002 -0.859 5.336 683 3HG2 VAL 97 3HG2 VAL 97 -2.028 0.561 4.262 684 H SER 98 HN SER 98 -6.925 -0.590 4.484 685 HA SER 98 HA SER 98 -7.624 -2.522 2.584 686 1HB SER 98 2HB SER 98 -9.597 -3.486 3.842 687 2HB SER 98 3HB SER 98 -8.034 -4.021 4.426 688 HG SER 98 HG SER 98 -9.716 -1.971 5.592 689 H ILE 99 HN ILE 99 -8.154 -0.687 1.319 690 HA ILE 99 HA ILE 99 -10.599 0.663 2.176 691 HB ILE 99 HB ILE 99 -8.152 2.079 1.112 692 1HG1 ILE 99 2HG1 ILE 99 -9.376 2.381 3.859 693 2HG1 ILE 99 3HG1 ILE 99 -8.093 1.234 3.532 694 1HG2 ILE 99 1HG2 ILE 99 -10.011 3.235 0.267 695 2HG2 ILE 99 2HG2 ILE 99 -10.947 3.011 1.765 696 3HG2 ILE 99 3HG2 ILE 99 -9.555 4.121 1.742 697 1HD1 ILE 99 1HD1 ILE 99 -6.672 3.101 2.635 698 2HD1 ILE 99 2HD1 ILE 99 -7.966 4.248 3.058 699 3HD1 ILE 99 3HD1 ILE 99 -7.126 3.342 4.340 700 H GLU 100 HN GLU 100 -11.767 1.670 0.318 701 HA GLU 100 HA GLU 100 -11.004 0.363 -2.173 702 1HB GLU 100 2HB GLU 100 -13.402 -0.037 -2.649 703 2HB GLU 100 3HB GLU 100 -12.898 -0.859 -1.186 704 1HG GLU 100 2HG GLU 100 -13.719 1.698 -0.299 705 2HG GLU 100 3HG GLU 100 -14.893 1.270 -1.527 706 H ASP 101 HN ASP 101 -10.130 2.172 -3.203 707 HA ASP 101 HA ASP 101 -11.642 4.618 -3.083 708 1HB ASP 101 2HB ASP 101 -9.139 4.166 -4.739 709 2HB ASP 101 3HB ASP 101 -9.713 5.663 -4.031 710 H SER 102 HN SER 102 -12.886 5.378 -4.843 711 HA SER 102 HA SER 102 -12.789 3.700 -7.226 712 1HB SER 102 2HB SER 102 -15.173 4.588 -7.588 713 2HB SER 102 3HB SER 102 -14.954 3.457 -6.268 714 HG SER 102 HG SER 102 -15.414 6.283 -6.174 715 H VAL 103 HN VAL 103 -13.258 7.062 -5.961 716 HA VAL 103 HA VAL 103 -13.467 8.461 -8.266 717 HB VAL 103 HB VAL 103 -11.898 9.117 -5.766 718 1HG1 VAL 103 1HG1 VAL 103 -11.267 11.036 -6.706 719 2HG1 VAL 103 2HG1 VAL 103 -12.040 10.553 -8.234 720 3HG1 VAL 103 3HG1 VAL 103 -12.971 11.451 -7.012 721 1HG2 VAL 103 1HG2 VAL 103 -14.772 9.622 -6.593 722 2HG2 VAL 103 2HG2 VAL 103 -14.185 8.644 -5.227 723 3HG2 VAL 103 3HG2 VAL 103 -13.985 10.413 -5.207 724 H ILE 104 HN ILE 104 -10.376 7.416 -6.670 725 HA ILE 104 HA ILE 104 -8.782 8.410 -8.784 726 HB ILE 104 HB ILE 104 -6.983 7.172 -7.667 727 1HG1 ILE 104 2HG1 ILE 104 -7.516 6.015 -5.499 728 2HG1 ILE 104 3HG1 ILE 104 -9.214 6.089 -5.926 729 1HG2 ILE 104 1HG2 ILE 104 -6.775 8.785 -6.124 730 2HG2 ILE 104 2HG2 ILE 104 -8.302 9.401 -6.800 731 3HG2 ILE 104 3HG2 ILE 104 -8.321 8.381 -5.341 732 1HD1 ILE 104 1HD1 ILE 104 -9.009 4.526 -7.634 733 2HD1 ILE 104 2HD1 ILE 104 -7.323 4.974 -7.984 734 3HD1 ILE 104 3HD1 ILE 104 -7.700 3.969 -6.564 735 H SER 105 HN SER 105 -7.118 6.655 -9.799 736 HA SER 105 HA SER 105 -8.507 4.264 -10.538 737 1HB SER 105 2HB SER 105 -8.617 6.600 -12.225 738 2HB SER 105 3HB SER 105 -7.612 5.408 -13.024 739 HG SER 105 HG SER 105 -9.526 4.640 -13.657 740 H LEU 106 HN LEU 106 -7.042 2.781 -11.820 741 HA LEU 106 HA LEU 106 -4.367 3.039 -10.839 742 1HB LEU 106 2HB LEU 106 -5.948 0.975 -12.318 743 2HB LEU 106 3HB LEU 106 -4.199 0.867 -12.310 744 HG LEU 106 HG LEU 106 -5.387 1.277 -9.642 745 1HD1 LEU 106 1HD1 LEU 106 -6.380 -0.848 -9.359 746 2HD1 LEU 106 2HD1 LEU 106 -7.090 -0.168 -10.843 747 3HD1 LEU 106 3HD1 LEU 106 -5.821 -1.411 -10.952 748 1HD2 LEU 106 1HD2 LEU 106 -3.426 0.426 -9.054 749 2HD2 LEU 106 2HD2 LEU 106 -3.776 -1.085 -9.928 750 3HD2 LEU 106 3HD2 LEU 106 -3.002 0.276 -10.776 751 H SER 107 HN SER 107 -6.131 3.719 -13.826 752 HA SER 107 HA SER 107 -3.766 4.964 -14.835 753 1HB SER 107 2HB SER 107 -4.238 2.341 -15.647 754 2HB SER 107 3HB SER 107 -4.986 3.269 -16.931 755 HG SER 107 HG SER 107 -2.683 4.511 -16.512 756 H GLY 108 HN GLY 108 -4.294 6.328 -16.807 757 1HA GLY 108 1HA GLY 108 -6.185 6.973 -18.279 758 2HA GLY 108 2HA GLY 108 -7.174 7.014 -16.833 759 H ASP 109 HN ASP 109 -6.665 8.613 -15.118 760 HA ASP 109 HA ASP 109 -4.984 10.771 -16.100 761 1HB ASP 109 2HB ASP 109 -7.875 10.797 -15.716 762 2HB ASP 109 3HB ASP 109 -7.131 11.924 -14.600 763 H HIS 110 HN HIS 110 -6.992 9.435 -13.373 764 HA HIS 110 HA HIS 110 -5.194 10.678 -11.466 765 1HB HIS 110 2HB HIS 110 -7.919 9.435 -11.344 766 2HB HIS 110 3HB HIS 110 -6.954 9.495 -9.882 767 HD1 HIS 110 HD1 HIS 110 -8.391 11.849 -12.527 768 HD2 HIS 110 HD2 HIS 110 -6.971 11.927 -8.580 769 HE1 HIS 110 HE1 HIS 110 -8.892 14.186 -11.633 770 H SER 111 HN SER 111 -4.059 8.655 -13.165 771 HA SER 111 HA SER 111 -4.125 6.124 -12.245 772 1HB SER 111 2HB SER 111 -2.854 6.814 -14.229 773 2HB SER 111 3HB SER 111 -1.728 7.724 -13.241 774 HG SER 111 HG SER 111 -2.126 4.891 -12.856 775 H ILE 112 HN ILE 112 -3.786 5.241 -10.241 776 HA ILE 112 HA ILE 112 -2.373 6.813 -8.272 777 HB ILE 112 HB ILE 112 -3.128 5.036 -6.732 778 1HG1 ILE 112 2HG1 ILE 112 -4.779 3.884 -8.972 779 2HG1 ILE 112 3HG1 ILE 112 -3.157 3.293 -8.672 780 1HG2 ILE 112 1HG2 ILE 112 -5.217 5.933 -6.509 781 2HG2 ILE 112 2HG2 ILE 112 -4.489 7.129 -7.607 782 3HG2 ILE 112 3HG2 ILE 112 -5.561 5.864 -8.254 783 1HD1 ILE 112 1HD1 ILE 112 -5.558 2.610 -7.274 784 2HD1 ILE 112 2HD1 ILE 112 -3.904 2.042 -6.943 785 3HD1 ILE 112 3HD1 ILE 112 -4.523 3.501 -6.132 786 H ILE 113 HN ILE 113 -1.811 4.147 -10.484 787 HA ILE 113 HA ILE 113 0.120 2.710 -9.196 788 HB ILE 113 HB ILE 113 -0.266 3.456 -12.083 789 1HG1 ILE 113 2HG1 ILE 113 -0.914 1.056 -10.372 790 2HG1 ILE 113 3HG1 ILE 113 -2.005 2.058 -11.309 791 1HG2 ILE 113 1HG2 ILE 113 1.745 1.463 -11.004 792 2HG2 ILE 113 2HG2 ILE 113 1.379 1.792 -12.714 793 3HG2 ILE 113 3HG2 ILE 113 2.137 3.050 -11.709 794 1HD1 ILE 113 1HD1 ILE 113 -1.752 0.125 -12.650 795 2HD1 ILE 113 2HD1 ILE 113 -0.616 1.280 -13.388 796 3HD1 ILE 113 3HD1 ILE 113 -0.010 0.002 -12.306 797 H GLY 114 HN GLY 114 2.230 2.994 -8.591 798 1HA GLY 114 1HA GLY 114 4.357 3.969 -8.873 799 2HA GLY 114 2HA GLY 114 3.617 5.399 -9.566 800 H ARG 115 HN ARG 115 2.091 3.920 -6.743 801 HA ARG 115 HA ARG 115 2.619 6.317 -5.294 802 1HB ARG 115 2HB ARG 115 0.722 4.059 -5.156 803 2HB ARG 115 3HB ARG 115 1.308 4.509 -3.567 804 1HG ARG 115 2HG ARG 115 0.706 6.911 -4.058 805 2HG ARG 115 3HG ARG 115 0.052 6.409 -5.605 806 1HD ARG 115 2HD ARG 115 -1.492 4.807 -4.315 807 2HD ARG 115 3HD ARG 115 -0.944 5.578 -2.840 808 HE ARG 115 HE ARG 115 -1.799 7.591 -4.714 809 1HH1 ARG 115 2HH2 ARG 115 -3.085 5.109 -2.577 810 2HH1 ARG 115 1HH2 ARG 115 -4.603 5.912 -2.348 811 1HH2 ARG 115 2HH1 ARG 115 -3.801 8.651 -4.413 812 2HH2 ARG 115 1HH1 ARG 115 -5.013 7.940 -3.400 813 H THR 116 HN THR 116 4.990 6.038 -5.051 814 HA THR 116 HA THR 116 6.202 3.819 -3.919 815 HB THR 116 HB THR 116 7.029 6.738 -3.543 816 HG1 THR 116 1HG THR 116 6.783 6.648 -5.756 817 1HG2 THR 116 1HG2 THR 116 8.985 4.774 -4.537 818 2HG2 THR 116 2HG2 THR 116 9.119 5.885 -3.153 819 3HG2 THR 116 3HG2 THR 116 8.334 4.301 -2.949 820 H LEU 117 HN LEU 117 4.954 2.905 -2.260 821 HA LEU 117 HA LEU 117 4.037 4.369 -0.065 822 1HB LEU 117 2HB LEU 117 3.899 1.748 -1.031 823 2HB LEU 117 3HB LEU 117 4.658 1.606 0.542 824 HG LEU 117 HG LEU 117 2.480 3.372 0.897 825 1HD1 LEU 117 1HD1 LEU 117 0.625 1.725 0.181 826 2HD1 LEU 117 2HD1 LEU 117 1.342 2.794 -1.048 827 3HD1 LEU 117 3HD1 LEU 117 1.838 1.087 -0.955 828 1HD2 LEU 117 1HD2 LEU 117 3.125 0.549 1.707 829 2HD2 LEU 117 2HD2 LEU 117 3.086 2.032 2.690 830 3HD2 LEU 117 3HD2 LEU 117 1.565 1.288 2.142 831 H VAL 118 HN VAL 118 5.235 5.504 1.359 832 HA VAL 118 HA VAL 118 7.581 4.196 2.470 833 HB VAL 118 HB VAL 118 8.450 5.476 0.602 834 1HG1 VAL 118 1HG1 VAL 118 8.062 7.743 0.204 835 2HG1 VAL 118 2HG1 VAL 118 6.461 7.145 0.702 836 3HG1 VAL 118 3HG1 VAL 118 7.477 8.039 1.858 837 1HG2 VAL 118 1HG2 VAL 118 10.249 6.066 1.799 838 2HG2 VAL 118 2HG2 VAL 118 9.348 7.318 2.686 839 3HG2 VAL 118 3HG2 VAL 118 9.307 5.628 3.244 840 H VAL 119 HN VAL 119 6.973 4.070 4.576 841 HA VAL 119 HA VAL 119 5.181 5.953 5.711 842 HB VAL 119 HB VAL 119 5.661 4.704 7.792 843 1HG1 VAL 119 1HG1 VAL 119 4.432 3.767 5.403 844 2HG1 VAL 119 2HG1 VAL 119 5.252 2.381 6.160 845 3HG1 VAL 119 3HG1 VAL 119 4.060 3.324 7.086 846 1HG2 VAL 119 1HG2 VAL 119 7.070 2.465 6.974 847 2HG2 VAL 119 2HG2 VAL 119 7.968 3.807 6.225 848 3HG2 VAL 119 3HG2 VAL 119 7.699 3.788 7.985 849 H HIS 120 HN HIS 120 5.968 6.823 8.078 850 HA HIS 120 HA HIS 120 8.265 8.487 7.412 851 1HB HIS 120 2HB HIS 120 5.883 8.808 9.216 852 2HB HIS 120 3HB HIS 120 7.332 9.746 9.517 853 HD1 HIS 120 HD1 HIS 120 6.274 12.003 8.864 854 HD2 HIS 120 HD2 HIS 120 6.118 9.126 5.816 855 HE1 HIS 120 HE1 HIS 120 5.554 13.239 6.751 856 H GLU 121 HN GLU 121 9.788 9.036 9.253 857 HA GLU 121 HA GLU 121 10.363 6.562 10.634 858 1HB GLU 121 2HB GLU 121 12.012 8.140 9.209 859 2HB GLU 121 3HB GLU 121 12.197 8.944 10.755 860 1HG GLU 121 2HG GLU 121 12.560 6.504 11.705 861 2HG GLU 121 3HG GLU 121 12.861 6.073 10.033 862 H LYS 122 HN LYS 122 8.133 8.391 11.454 863 HA LYS 122 HA LYS 122 8.479 8.275 14.189 864 1HB LYS 122 2HB LYS 122 9.990 10.385 13.184 865 2HB LYS 122 3HB LYS 122 8.518 11.164 13.727 866 1HG LYS 122 2HG LYS 122 8.884 9.562 15.865 867 2HG LYS 122 3HG LYS 122 10.550 9.615 15.327 868 1HD LYS 122 2HD LYS 122 10.317 12.184 15.256 869 2HD LYS 122 3HD LYS 122 8.784 11.983 16.082 870 1HE LYS 122 2HE LYS 122 10.031 12.096 17.997 871 2HE LYS 122 3HE LYS 122 10.415 10.419 17.663 872 1HZ LYS 122 1HZ LYS 122 12.303 12.064 17.991 873 2HZ LYS 122 2HZ LYS 122 12.429 11.001 16.758 874 3HZ LYS 122 3HZ LYS 122 12.005 12.550 16.461 875 H ALA 123 HN ALA 123 6.591 9.211 15.345 876 HA ALA 123 HA ALA 123 4.287 9.069 13.630 877 1HB ALA 123 1HB ALA 123 3.111 8.685 15.591 878 2HB ALA 123 2HB ALA 123 4.729 8.118 16.069 879 3HB ALA 123 3HB ALA 123 4.173 9.735 16.561 880 H ASP 124 HN ASP 124 2.431 10.774 14.430 881 HA ASP 124 HA ASP 124 3.715 13.371 14.102 882 1HB ASP 124 2HB ASP 124 0.848 12.676 13.346 883 2HB ASP 124 3HB ASP 124 1.757 14.096 12.869 884 H ASP 125 HN ASP 125 3.811 13.851 16.393 885 HA ASP 125 HA ASP 125 1.875 13.275 18.212 886 1HB ASP 125 2HB ASP 125 4.299 14.470 18.318 887 2HB ASP 125 3HB ASP 125 3.314 15.915 18.420 888 H LEU 126 HN LEU 126 1.924 15.613 15.606 889 HA LEU 126 HA LEU 126 0.542 17.196 14.930 890 1HB LEU 126 2HB LEU 126 -1.332 15.513 16.573 891 2HB LEU 126 3HB LEU 126 -1.890 16.947 15.734 892 HG LEU 126 HG LEU 126 -0.368 14.903 14.166 893 1HD1 LEU 126 1HD1 LEU 126 -2.710 14.246 15.682 894 2HD1 LEU 126 2HD1 LEU 126 -3.109 14.229 13.948 895 3HD1 LEU 126 3HD1 LEU 126 -1.769 13.232 14.562 896 1HD2 LEU 126 1HD2 LEU 126 -1.894 15.619 12.381 897 2HD2 LEU 126 2HD2 LEU 126 -2.718 16.706 13.525 898 3HD2 LEU 126 3HD2 LEU 126 -1.014 16.991 13.096 899 H GLY 127 HN GLY 127 2.122 17.397 17.578 900 1HA GLY 127 1HA GLY 127 1.552 20.038 18.177 901 2HA GLY 127 2HA GLY 127 0.623 19.077 19.310 902 H LYS 128 HN LYS 128 3.953 19.538 17.979 903 HA LYS 128 HA LYS 128 5.034 18.246 20.356 904 1HB LYS 128 2HB LYS 128 6.303 19.141 17.754 905 2HB LYS 128 3HB LYS 128 7.204 18.475 19.101 906 1HG LYS 128 2HG LYS 128 5.958 16.368 18.980 907 2HG LYS 128 3HG LYS 128 4.854 17.031 17.792 908 1HD LYS 128 2HD LYS 128 6.283 16.593 16.075 909 2HD LYS 128 3HD LYS 128 7.633 17.337 16.908 910 1HE LYS 128 2HE LYS 128 6.619 14.563 17.660 911 2HE LYS 128 3HE LYS 128 7.810 14.798 16.396 912 1HZ LYS 128 1HZ LYS 128 8.287 16.092 18.944 913 2HZ LYS 128 2HZ LYS 128 8.500 14.475 18.865 914 3HZ LYS 128 3HZ LYS 128 9.356 15.460 17.884 915 H GLY 129 HN GLY 129 4.385 21.389 18.944 916 1HA GLY 129 1HA GLY 129 4.384 23.126 20.733 917 2HA GLY 129 2HA GLY 129 6.041 22.651 21.047 918 H GLY 130 HN GLY 130 6.844 22.168 18.274 919 1HA GLY 130 1HA GLY 130 7.584 24.805 17.552 920 2HA GLY 130 2HA GLY 130 7.855 23.336 16.636 921 H ASN 131 HN ASN 131 7.368 24.983 14.819 922 HA ASN 131 HA ASN 131 4.615 24.593 14.121 923 1HB ASN 131 2HB ASN 131 5.700 27.203 14.965 924 2HB ASN 131 3HB ASN 131 5.081 27.277 13.327 925 1HD2 ASN 131 1HD2 ASN 131 4.347 26.628 16.678 926 2HD2 ASN 131 2HD2 ASN 131 2.621 26.739 16.582 927 H GLU 132 HN GLU 132 4.365 24.611 11.779 928 HA GLU 132 HA GLU 132 4.949 24.625 9.678 929 1HB GLU 132 2HB GLU 132 6.299 26.810 10.516 930 2HB GLU 132 3HB GLU 132 7.677 25.815 10.089 931 1HG GLU 132 2HG GLU 132 6.125 25.389 7.882 932 2HG GLU 132 3HG GLU 132 5.557 26.987 8.322 933 H GLN 133 HN GLN 133 5.619 22.492 11.623 934 HA GLN 133 HA GLN 133 7.376 21.049 9.895 935 1HB GLN 133 2HB GLN 133 8.517 22.325 12.127 936 2HB GLN 133 3HB GLN 133 8.291 20.672 12.662 937 1HG GLN 133 2HG GLN 133 9.936 19.885 11.290 938 2HG GLN 133 3HG GLN 133 9.336 20.786 9.912 939 1HE2 GLN 133 1HE2 GLN 133 11.404 21.349 9.280 940 2HE2 GLN 133 2HE2 GLN 133 12.348 22.559 10.083 941 H SER 134 HN SER 134 6.026 20.930 13.278 942 HA SER 134 HA SER 134 5.239 18.213 12.792 943 1HB SER 134 2HB SER 134 4.582 18.229 15.181 944 2HB SER 134 3HB SER 134 6.223 18.805 14.967 945 HG SER 134 HG SER 134 5.013 20.161 16.432 946 H THR 135 HN THR 135 3.961 21.351 12.321 947 HA THR 135 HA THR 135 1.219 20.709 12.925 948 HB THR 135 HB THR 135 0.849 23.004 12.321 949 HG1 THR 135 1HG THR 135 3.431 22.659 10.963 950 1HG2 THR 135 1HG2 THR 135 2.660 22.616 14.219 951 2HG2 THR 135 2HG2 THR 135 3.811 23.171 12.979 952 3HG2 THR 135 3HG2 THR 135 2.492 24.241 13.511 953 H LYS 136 HN LYS 136 3.411 20.120 10.313 954 HA LYS 136 HA LYS 136 1.123 19.684 8.527 955 1HB LYS 136 2HB LYS 136 2.968 19.658 6.746 956 2HB LYS 136 3HB LYS 136 2.528 21.201 7.449 957 1HG LYS 136 2HG LYS 136 4.538 21.428 8.579 958 2HG LYS 136 3HG LYS 136 4.694 19.708 8.877 959 1HD LYS 136 2HD LYS 136 6.171 19.594 7.162 960 2HD LYS 136 3HD LYS 136 4.861 19.964 6.059 961 1HE LYS 136 2HE LYS 136 5.612 22.452 7.251 962 2HE LYS 136 3HE LYS 136 7.110 21.639 6.844 963 1HZ LYS 136 1HZ LYS 136 5.139 22.728 5.117 964 2HZ LYS 136 2HZ LYS 136 6.704 22.373 4.813 965 3HZ LYS 136 3HZ LYS 136 5.564 21.211 4.687 966 H THR 137 HN THR 137 3.912 18.252 10.200 967 HA THR 137 HA THR 137 2.876 15.621 9.452 968 HB THR 137 HB THR 137 5.173 14.868 8.891 969 HG1 THR 137 1HG THR 137 5.699 17.720 9.361 970 1HG2 THR 137 1HG2 THR 137 4.023 15.818 6.941 971 2HG2 THR 137 2HG2 THR 137 4.375 17.474 7.493 972 3HG2 THR 137 3HG2 THR 137 5.698 16.421 6.937 973 H GLY 138 HN GLY 138 6.003 15.904 10.977 974 1HA GLY 138 1HA GLY 138 4.953 15.988 13.667 975 2HA GLY 138 2HA GLY 138 5.480 14.397 13.156 976 H ASN 139 HN ASN 139 6.976 17.348 11.834 977 HA ASN 139 HA ASN 139 9.030 18.053 11.857 978 1HB ASN 139 2HB ASN 139 8.133 18.466 14.355 979 2HB ASN 139 3HB ASN 139 9.362 17.290 14.775 980 1HD2 ASN 139 1HD2 ASN 139 11.477 17.702 13.378 981 2HD2 ASN 139 2HD2 ASN 139 12.110 19.310 13.488 982 H ALA 140 HN ALA 140 8.767 15.315 11.065 983 HA ALA 140 HA ALA 140 11.281 14.203 12.104 984 1HB ALA 140 1HB ALA 140 9.594 12.844 13.080 985 2HB ALA 140 2HB ALA 140 8.614 12.850 11.594 986 3HB ALA 140 3HB ALA 140 10.142 11.939 11.648 987 H GLY 141 HN GLY 141 8.821 13.772 9.453 988 1HA GLY 141 1HA GLY 141 9.166 13.205 7.276 989 2HA GLY 141 2HA GLY 141 10.104 14.685 7.308 990 H SER 142 HN SER 142 10.233 11.126 7.462 991 HA SER 142 HA SER 142 12.901 11.258 6.443 992 1HB SER 142 2HB SER 142 12.263 10.187 9.196 993 2HB SER 142 3HB SER 142 13.528 9.416 8.259 994 HG SER 142 HG SER 142 13.814 11.557 9.758 995 H ARG 143 HN ARG 143 12.641 9.980 4.646 996 HA ARG 143 HA ARG 143 10.613 8.128 4.419 997 1HB ARG 143 2HB ARG 143 13.210 8.553 2.877 998 2HB ARG 143 3HB ARG 143 12.067 7.310 2.407 999 1HG ARG 143 2HG ARG 143 10.287 8.992 2.109 1000 2HG ARG 143 3HG ARG 143 11.332 10.258 2.722 1001 1HD ARG 143 2HD ARG 143 11.969 10.624 0.568 1002 2HD ARG 143 3HD ARG 143 12.865 9.121 0.664 1003 HE ARG 143 HE ARG 143 10.033 8.716 0.046 1004 1HH1 ARG 143 2HH2 ARG 143 13.202 9.401 -1.322 1005 2HH1 ARG 143 1HH2 ARG 143 12.795 8.799 -2.894 1006 1HH2 ARG 143 2HH1 ARG 143 9.495 7.922 -2.028 1007 2HH2 ARG 143 1HH1 ARG 143 10.672 7.952 -3.299 1008 H LEU 144 HN LEU 144 11.201 5.692 3.683 1009 HA LEU 144 HA LEU 144 13.366 4.600 5.268 1010 1HB LEU 144 2HB LEU 144 10.458 3.993 5.786 1011 2HB LEU 144 3HB LEU 144 11.755 2.918 6.267 1012 HG LEU 144 HG LEU 144 12.546 5.380 7.297 1013 1HD1 LEU 144 1HD1 LEU 144 9.905 5.774 6.701 1014 2HD1 LEU 144 2HD1 LEU 144 9.822 5.216 8.390 1015 3HD1 LEU 144 3HD1 LEU 144 10.815 6.632 7.968 1016 1HD2 LEU 144 1HD2 LEU 144 12.913 3.367 8.481 1017 2HD2 LEU 144 2HD2 LEU 144 11.828 4.346 9.497 1018 3HD2 LEU 144 3HD2 LEU 144 11.174 2.993 8.543 1019 H ALA 145 HN ALA 145 10.344 3.358 3.677 1020 HA ALA 145 HA ALA 145 12.118 1.933 1.814 1021 1HB ALA 145 1HB ALA 145 9.921 0.356 1.880 1022 2HB ALA 145 2HB ALA 145 11.305 0.134 2.977 1023 3HB ALA 145 3HB ALA 145 9.860 1.010 3.535 1024 H CYS 146 HN CYS 146 10.858 1.290 -0.258 1025 HA CYS 146 HA CYS 146 8.758 3.198 -0.864 1026 1HB CYS 146 2HB CYS 146 10.135 3.452 -3.150 1027 2HB CYS 146 3HB CYS 146 10.239 4.581 -1.814 1028 H GLY 147 HN GLY 147 7.765 0.917 -0.554 1029 1HA GLY 147 1HA GLY 147 8.281 -1.297 -2.050 1030 2HA GLY 147 2HA GLY 147 6.679 -0.787 -1.555 1031 H VAL 148 HN VAL 148 6.147 1.494 -3.004 1032 HA VAL 148 HA VAL 148 5.510 2.240 -4.984 1033 HB VAL 148 HB VAL 148 8.018 0.776 -5.717 1034 1HG1 VAL 148 1HG1 VAL 148 7.171 0.395 -7.779 1035 2HG1 VAL 148 2HG1 VAL 148 5.858 1.580 -7.577 1036 3HG1 VAL 148 3HG1 VAL 148 7.492 2.130 -8.017 1037 1HG2 VAL 148 1HG2 VAL 148 7.270 3.689 -6.087 1038 2HG2 VAL 148 2HG2 VAL 148 7.983 3.046 -4.588 1039 3HG2 VAL 148 3HG2 VAL 148 8.892 2.956 -6.116 1040 H ILE 149 HN ILE 149 3.873 1.698 -6.424 1041 HA ILE 149 HA ILE 149 3.091 -1.100 -6.333 1042 HB ILE 149 HB ILE 149 1.718 1.489 -6.951 1043 1HG1 ILE 149 2HG1 ILE 149 0.056 0.321 -5.317 1044 2HG1 ILE 149 3HG1 ILE 149 1.399 -0.744 -4.954 1045 1HG2 ILE 149 1HG2 ILE 149 0.726 0.419 -8.691 1046 2HG2 ILE 149 2HG2 ILE 149 1.028 -1.202 -8.020 1047 3HG2 ILE 149 3HG2 ILE 149 -0.300 -0.207 -7.377 1048 1HD1 ILE 149 1HD1 ILE 149 2.778 1.071 -4.184 1049 2HD1 ILE 149 2HD1 ILE 149 1.679 2.288 -4.876 1050 3HD1 ILE 149 3HD1 ILE 149 1.172 1.334 -3.462 1051 H GLY 150 HN GLY 150 3.239 -2.486 -8.038 1052 1HA GLY 150 1HA GLY 150 3.761 -1.332 -10.698 1053 2HA GLY 150 2HA GLY 150 4.868 -2.512 -10.025 1054 H ILE 151 HN ILE 151 2.519 -2.306 -12.242 1055 HA ILE 151 HA ILE 151 0.555 -4.101 -11.672 1056 HB ILE 151 HB ILE 151 2.018 -3.471 -14.224 1057 1HG1 ILE 151 2HG1 ILE 151 0.680 -1.682 -13.128 1058 2HG1 ILE 151 3HG1 ILE 151 0.116 -2.111 -14.731 1059 1HG2 ILE 151 1HG2 ILE 151 -0.109 -4.528 -15.278 1060 2HG2 ILE 151 2HG2 ILE 151 1.235 -5.580 -14.772 1061 3HG2 ILE 151 3HG2 ILE 151 -0.212 -5.428 -13.746 1062 1HD1 ILE 151 1HD1 ILE 151 -1.378 -2.118 -12.302 1063 2HD1 ILE 151 2HD1 ILE 151 -1.926 -2.638 -13.913 1064 3HD1 ILE 151 3HD1 ILE 151 -1.203 -3.819 -12.795 1065 H ALA 152 HN ALA 152 0.305 -6.333 -11.628 1066 HA ALA 152 HA ALA 152 2.666 -7.936 -12.234 1067 1HB ALA 152 1HB ALA 152 1.546 -7.384 -9.554 1068 2HB ALA 152 2HB ALA 152 1.746 -9.114 -9.919 1069 3HB ALA 152 3HB ALA 152 3.144 -8.017 -10.018 1070 H GLN 153 HN GLN 153 1.984 -10.388 -12.021 1071 HA GLN 153 HA GLN 153 -0.823 -10.722 -12.575 1072 1HB GLN 153 2HB GLN 153 0.607 -10.275 -14.758 1073 2HB GLN 153 3HB GLN 153 1.133 -11.933 -14.540 1074 1HG GLN 153 2HG GLN 153 -1.177 -12.748 -14.619 1075 2HG GLN 153 3HG GLN 153 -1.807 -11.113 -14.604 1076 1HE2 GLN 153 1HE2 GLN 153 -0.769 -13.705 -16.480 1077 2HE2 GLN 153 2HE2 GLN 153 -0.735 -12.956 -18.041 Start of MODEL 17 1 1H ALA 1 HN ALA 1 -7.960 -6.141 -11.789 2 HA ALA 1 HA ALA 1 -7.803 -8.413 -13.331 3 1HB ALA 1 1HB ALA 1 -7.830 -6.107 -15.247 4 2HB ALA 1 2HB ALA 1 -8.204 -7.825 -15.524 5 3HB ALA 1 3HB ALA 1 -9.396 -6.773 -14.725 6 H THR 2 HN THR 2 -6.794 -4.928 -13.278 7 HA THR 2 HA THR 2 -4.037 -5.717 -13.708 8 HB THR 2 HB THR 2 -5.268 -2.963 -13.185 9 HG1 THR 2 1HG THR 2 -6.103 -4.445 -15.019 10 1HG2 THR 2 1HG2 THR 2 -2.712 -3.965 -14.535 11 2HG2 THR 2 2HG2 THR 2 -3.353 -2.322 -14.776 12 3HG2 THR 2 3HG2 THR 2 -2.834 -2.846 -13.156 13 H LYS 3 HN LYS 3 -3.821 -7.072 -11.790 14 HA LYS 3 HA LYS 3 -3.965 -5.692 -9.258 15 1HB LYS 3 2HB LYS 3 -4.746 -8.002 -9.435 16 2HB LYS 3 3HB LYS 3 -3.168 -8.526 -9.986 17 1HG LYS 3 2HG LYS 3 -2.428 -7.243 -7.691 18 2HG LYS 3 3HG LYS 3 -4.051 -7.721 -7.236 19 1HD LYS 3 2HD LYS 3 -3.435 -9.894 -6.987 20 2HD LYS 3 3HD LYS 3 -2.695 -9.936 -8.575 21 1HE LYS 3 2HE LYS 3 -0.678 -10.035 -7.535 22 2HE LYS 3 3HE LYS 3 -0.915 -8.365 -7.060 23 1HZ LYS 3 1HZ LYS 3 -2.232 -9.359 -5.152 24 2HZ LYS 3 2HZ LYS 3 -1.509 -10.775 -5.524 25 3HZ LYS 3 3HZ LYS 3 -0.605 -9.486 -5.092 26 H ALA 4 HN ALA 4 -2.336 -4.515 -8.418 27 HA ALA 4 HA ALA 4 0.331 -4.962 -9.560 28 1HB ALA 4 1HB ALA 4 -0.018 -2.742 -9.979 29 2HB ALA 4 2HB ALA 4 -1.228 -2.578 -8.683 30 3HB ALA 4 3HB ALA 4 0.508 -2.571 -8.287 31 H VAL 5 HN VAL 5 2.174 -4.548 -7.963 32 HA VAL 5 HA VAL 5 1.396 -5.351 -5.255 33 HB VAL 5 HB VAL 5 3.708 -6.534 -6.798 34 1HG1 VAL 5 1HG1 VAL 5 2.616 -6.846 -4.029 35 2HG1 VAL 5 2HG1 VAL 5 3.297 -8.279 -4.836 36 3HG1 VAL 5 3HG1 VAL 5 4.301 -6.828 -4.601 37 1HG2 VAL 5 1HG2 VAL 5 1.239 -8.099 -6.102 38 2HG2 VAL 5 2HG2 VAL 5 1.261 -7.094 -7.571 39 3HG2 VAL 5 3HG2 VAL 5 2.457 -8.397 -7.365 40 H ALA 6 HN ALA 6 3.320 -5.007 -3.698 41 HA ALA 6 HA ALA 6 5.259 -3.079 -4.574 42 1HB ALA 6 1HB ALA 6 3.894 -1.309 -4.170 43 2HB ALA 6 2HB ALA 6 2.748 -2.284 -3.220 44 3HB ALA 6 3HB ALA 6 4.231 -1.660 -2.458 45 H VAL 7 HN VAL 7 6.864 -4.483 -3.846 46 HA VAL 7 HA VAL 7 6.631 -5.651 -1.229 47 HB VAL 7 HB VAL 7 7.606 -6.808 -3.190 48 1HG1 VAL 7 1HG1 VAL 7 10.149 -5.256 -2.877 49 2HG1 VAL 7 2HG1 VAL 7 9.519 -6.151 -4.281 50 3HG1 VAL 7 3HG1 VAL 7 8.842 -4.559 -3.862 51 1HG2 VAL 7 1HG2 VAL 7 9.457 -6.402 -0.816 52 2HG2 VAL 7 2HG2 VAL 7 8.137 -7.589 -0.953 53 3HG2 VAL 7 3HG2 VAL 7 9.575 -7.733 -1.991 54 H LEU 8 HN LEU 8 6.524 -3.888 0.228 55 HA LEU 8 HA LEU 8 7.889 -1.602 0.271 56 1HB LEU 8 2HB LEU 8 6.801 -3.423 2.291 57 2HB LEU 8 3HB LEU 8 8.072 -2.384 2.903 58 HG LEU 8 HG LEU 8 5.944 -1.349 3.305 59 1HD1 LEU 8 1HD1 LEU 8 7.971 -0.132 1.624 60 2HD1 LEU 8 2HD1 LEU 8 6.373 0.608 1.361 61 3HD1 LEU 8 3HD1 LEU 8 7.067 0.545 3.000 62 1HD2 LEU 8 1HD2 LEU 8 4.915 -0.634 0.798 63 2HD2 LEU 8 2HD2 LEU 8 5.303 -2.366 0.676 64 3HD2 LEU 8 3HD2 LEU 8 4.227 -1.785 1.969 65 H LYS 9 HN LYS 9 9.915 -0.818 1.152 66 HA LYS 9 HA LYS 9 11.934 -2.466 2.081 67 1HB LYS 9 2HB LYS 9 11.941 -3.581 -0.056 68 2HB LYS 9 3HB LYS 9 12.008 -2.057 -0.919 69 1HG LYS 9 2HG LYS 9 14.240 -1.574 -0.042 70 2HG LYS 9 3HG LYS 9 14.165 -2.942 1.050 71 1HD LYS 9 2HD LYS 9 13.888 -4.427 -1.054 72 2HD LYS 9 3HD LYS 9 14.319 -3.011 -1.993 73 1HE LYS 9 2HE LYS 9 16.388 -2.889 -0.310 74 2HE LYS 9 3HE LYS 9 16.022 -4.582 -0.044 75 1HZ LYS 9 1HZ LYS 9 15.934 -4.291 -2.734 76 2HZ LYS 9 2HZ LYS 9 17.197 -3.351 -2.300 77 3HZ LYS 9 3HZ LYS 9 17.171 -4.929 -1.880 78 H GLY 10 HN GLY 10 13.402 -1.142 3.055 79 1HA GLY 10 1HA GLY 10 14.224 1.339 1.928 80 2HA GLY 10 2HA GLY 10 13.031 1.590 3.188 81 H ASP 11 HN ASP 11 13.635 1.461 5.343 82 HA ASP 11 HA ASP 11 16.169 1.746 6.089 83 1HB ASP 11 2HB ASP 11 14.254 2.040 7.608 84 2HB ASP 11 3HB ASP 11 13.929 0.318 7.593 85 H GLY 12 HN GLY 12 14.326 -1.365 6.613 86 1HA GLY 12 1HA GLY 12 15.933 -3.155 5.356 87 2HA GLY 12 2HA GLY 12 16.762 -2.880 6.876 88 HA PRO 13 HA PRO 13 13.743 -5.172 9.033 89 1HB PRO 13 2HB PRO 13 12.782 -3.655 11.093 90 2HB PRO 13 3HB PRO 13 14.348 -4.439 11.131 91 1HG PRO 13 2HG PRO 13 13.717 -1.580 10.728 92 2HG PRO 13 3HG PRO 13 15.241 -2.313 11.188 93 1HD PRO 13 2HD PRO 13 14.537 -1.300 8.599 94 2HD PRO 13 3HD PRO 13 16.014 -2.137 9.030 95 H VAL 14 HN VAL 14 12.637 -2.382 7.524 96 HA VAL 14 HA VAL 14 9.858 -3.177 7.931 97 HB VAL 14 HB VAL 14 11.231 -0.721 7.691 98 1HG1 VAL 14 1HG1 VAL 14 9.864 0.368 5.883 99 2HG1 VAL 14 2HG1 VAL 14 11.090 -0.781 5.295 100 3HG1 VAL 14 3HG1 VAL 14 9.377 -1.260 5.351 101 1HG2 VAL 14 1HG2 VAL 14 9.071 -1.565 8.969 102 2HG2 VAL 14 2HG2 VAL 14 9.294 0.155 8.569 103 3HG2 VAL 14 3HG2 VAL 14 8.241 -0.865 7.559 104 H GLN 15 HN GLN 15 8.965 -4.584 6.521 105 HA GLN 15 HA GLN 15 9.607 -4.246 3.736 106 1HB GLN 15 2HB GLN 15 11.246 -5.945 4.677 107 2HB GLN 15 3HB GLN 15 9.883 -6.974 5.070 108 1HG GLN 15 2HG GLN 15 9.474 -6.212 2.363 109 2HG GLN 15 3HG GLN 15 11.189 -6.551 2.485 110 1HE2 GLN 15 1HE2 GLN 15 7.993 -7.818 3.360 111 2HE2 GLN 15 2HE2 GLN 15 8.363 -9.502 3.193 112 H GLY 16 HN GLY 16 7.297 -3.363 4.412 113 1HA GLY 16 1HA GLY 16 5.218 -5.116 5.047 114 2HA GLY 16 2HA GLY 16 5.067 -3.569 4.238 115 H ILE 17 HN ILE 17 3.264 -5.364 3.406 116 HA ILE 17 HA ILE 17 4.235 -6.029 0.743 117 HB ILE 17 HB ILE 17 3.012 -7.984 2.680 118 1HG1 ILE 17 2HG1 ILE 17 5.420 -8.402 0.917 119 2HG1 ILE 17 3HG1 ILE 17 5.566 -7.556 2.445 120 1HG2 ILE 17 1HG2 ILE 17 1.782 -8.054 0.530 121 2HG2 ILE 17 2HG2 ILE 17 3.321 -8.358 -0.311 122 3HG2 ILE 17 3HG2 ILE 17 2.700 -9.542 0.864 123 1HD1 ILE 17 1HD1 ILE 17 4.262 -9.601 3.454 124 2HD1 ILE 17 2HD1 ILE 17 4.729 -10.426 1.947 125 3HD1 ILE 17 3HD1 ILE 17 5.983 -9.800 3.045 126 H ILE 18 HN ILE 18 3.029 -4.391 -0.199 127 HA ILE 18 HA ILE 18 0.152 -4.465 0.372 128 HB ILE 18 HB ILE 18 0.654 -2.328 0.846 129 1HG1 ILE 18 2HG1 ILE 18 0.179 -0.836 -1.021 130 2HG1 ILE 18 3HG1 ILE 18 0.562 -2.096 -2.176 131 1HG2 ILE 18 1HG2 ILE 18 3.065 -2.582 0.605 132 2HG2 ILE 18 2HG2 ILE 18 2.925 -2.399 -1.160 133 3HG2 ILE 18 3HG2 ILE 18 2.519 -1.036 -0.089 134 1HD1 ILE 18 1HD1 ILE 18 -1.564 -2.855 -2.062 135 2HD1 ILE 18 2HD1 ILE 18 -1.357 -3.182 -0.325 136 3HD1 ILE 18 3HD1 ILE 18 -1.946 -1.592 -0.867 137 H ASN 19 HN ASN 19 -1.309 -4.870 -1.267 138 HA ASN 19 HA ASN 19 -0.124 -5.222 -3.904 139 1HB ASN 19 2HB ASN 19 -2.270 -7.045 -3.781 140 2HB ASN 19 3HB ASN 19 -0.568 -7.460 -3.714 141 1HD2 ASN 19 1HD2 ASN 19 0.125 -8.516 -2.020 142 2HD2 ASN 19 2HD2 ASN 19 -0.629 -8.616 -0.464 143 H PHE 20 HN PHE 20 -1.631 -4.732 -5.678 144 HA PHE 20 HA PHE 20 -4.030 -3.312 -4.758 145 1HB PHE 20 2HB PHE 20 -1.888 -2.904 -6.860 146 2HB PHE 20 3HB PHE 20 -3.507 -2.404 -7.308 147 HD1 PHE 20 1HD PHE 20 -1.814 -2.180 -3.997 148 HD2 PHE 20 2HD PHE 20 -3.430 -0.082 -7.312 149 HE1 PHE 20 1HE PHE 20 -1.478 -0.008 -2.785 150 HE2 PHE 20 2HE PHE 20 -3.093 2.091 -6.101 151 HZ PHE 20 HZ PHE 20 -2.122 2.102 -3.852 152 H GLU 21 HN GLU 21 -6.005 -3.629 -5.876 153 HA GLU 21 HA GLU 21 -5.931 -5.591 -8.005 154 1HB GLU 21 2HB GLU 21 -6.347 -6.822 -5.858 155 2HB GLU 21 3HB GLU 21 -7.764 -5.830 -5.577 156 1HG GLU 21 2HG GLU 21 -9.033 -7.020 -7.056 157 2HG GLU 21 3HG GLU 21 -7.774 -7.019 -8.275 158 H GLN 22 HN GLN 22 -7.652 -5.370 -9.528 159 HA GLN 22 HA GLN 22 -9.732 -3.504 -8.928 160 1HB GLN 22 2HB GLN 22 -7.949 -1.969 -9.651 161 2HB GLN 22 3HB GLN 22 -7.681 -2.909 -11.105 162 1HG GLN 22 2HG GLN 22 -9.085 -1.255 -11.952 163 2HG GLN 22 3HG GLN 22 -10.274 -2.470 -11.525 164 1HE2 GLN 22 1HE2 GLN 22 -9.767 0.679 -11.474 165 2HE2 GLN 22 2HE2 GLN 22 -10.603 1.179 -10.042 166 H LYS 23 HN LYS 23 -10.673 -5.775 -9.196 167 HA LYS 23 HA LYS 23 -10.716 -6.753 -11.909 168 1HB LYS 23 2HB LYS 23 -11.541 -7.739 -9.227 169 2HB LYS 23 3HB LYS 23 -12.472 -8.325 -10.590 170 1HG LYS 23 2HG LYS 23 -9.785 -8.470 -11.464 171 2HG LYS 23 3HG LYS 23 -9.727 -8.996 -9.793 172 1HD LYS 23 2HD LYS 23 -10.273 -11.028 -10.743 173 2HD LYS 23 3HD LYS 23 -11.901 -10.409 -10.552 174 1HE LYS 23 2HE LYS 23 -11.763 -9.468 -12.908 175 2HE LYS 23 3HE LYS 23 -10.198 -10.238 -13.083 176 1HZ LYS 23 1HZ LYS 23 -11.564 -11.836 -13.877 177 2HZ LYS 23 2HZ LYS 23 -11.543 -12.303 -12.312 178 3HZ LYS 23 3HZ LYS 23 -12.817 -11.465 -12.897 179 H GLU 24 HN GLU 24 -11.612 -4.186 -12.017 180 HA GLU 24 HA GLU 24 -14.304 -4.632 -12.845 181 1HB GLU 24 2HB GLU 24 -13.684 -3.162 -10.347 182 2HB GLU 24 3HB GLU 24 -14.703 -2.263 -11.454 183 1HG GLU 24 2HG GLU 24 -15.261 -5.140 -10.593 184 2HG GLU 24 3HG GLU 24 -15.972 -3.738 -9.818 185 H SER 25 HN SER 25 -14.949 -3.143 -14.479 186 HA SER 25 HA SER 25 -12.745 -1.734 -15.609 187 1HB SER 25 2HB SER 25 -15.515 -2.505 -16.453 188 2HB SER 25 3HB SER 25 -14.831 -1.093 -17.234 189 HG SER 25 HG SER 25 -14.417 -3.284 -18.245 190 H ASN 26 HN ASN 26 -15.179 -1.054 -13.307 191 HA ASN 26 HA ASN 26 -14.532 1.726 -13.459 192 1HB ASN 26 2HB ASN 26 -16.880 0.885 -14.737 193 2HB ASN 26 3HB ASN 26 -17.465 1.344 -13.150 194 1HD2 ASN 26 1HD2 ASN 26 -17.962 2.602 -15.689 195 2HD2 ASN 26 2HD2 ASN 26 -17.402 4.239 -15.599 196 H GLY 27 HN GLY 27 -13.977 -0.472 -11.614 197 1HA GLY 27 1HA GLY 27 -15.713 0.201 -9.315 198 2HA GLY 27 2HA GLY 27 -14.895 -1.332 -9.550 199 HA PRO 28 HA PRO 28 -12.210 1.572 -7.154 200 1HB PRO 28 2HB PRO 28 -12.524 0.588 -4.624 201 2HB PRO 28 3HB PRO 28 -13.399 1.982 -5.226 202 1HG PRO 28 2HG PRO 28 -14.376 -0.775 -4.792 203 2HG PRO 28 3HG PRO 28 -15.302 0.702 -4.978 204 1HD PRO 28 2HD PRO 28 -14.911 -1.339 -6.955 205 2HD PRO 28 3HD PRO 28 -15.739 0.190 -7.176 206 H VAL 29 HN VAL 29 -10.054 1.253 -6.571 207 HA VAL 29 HA VAL 29 -9.203 -1.417 -7.271 208 HB VAL 29 HB VAL 29 -7.606 1.037 -6.515 209 1HG1 VAL 29 1HG1 VAL 29 -5.705 -0.074 -7.105 210 2HG1 VAL 29 2HG1 VAL 29 -6.668 -1.480 -6.589 211 3HG1 VAL 29 3HG1 VAL 29 -6.533 -1.079 -8.318 212 1HG2 VAL 29 1HG2 VAL 29 -8.024 0.104 -9.345 213 2HG2 VAL 29 2HG2 VAL 29 -9.239 1.140 -8.557 214 3HG2 VAL 29 3HG2 VAL 29 -7.563 1.711 -8.736 215 H LYS 30 HN LYS 30 -9.838 -2.774 -5.567 216 HA LYS 30 HA LYS 30 -9.662 -2.167 -2.886 217 1HB LYS 30 2HB LYS 30 -9.628 -4.752 -4.436 218 2HB LYS 30 3HB LYS 30 -9.478 -4.751 -2.691 219 1HG LYS 30 2HG LYS 30 -11.614 -3.606 -2.425 220 2HG LYS 30 3HG LYS 30 -11.727 -3.291 -4.145 221 1HD LYS 30 2HD LYS 30 -11.909 -5.718 -4.613 222 2HD LYS 30 3HD LYS 30 -11.688 -6.087 -2.914 223 1HE LYS 30 2HE LYS 30 -13.871 -5.633 -2.414 224 2HE LYS 30 3HE LYS 30 -13.863 -4.142 -3.334 225 1HZ LYS 30 1HZ LYS 30 -15.169 -5.324 -4.677 226 2HZ LYS 30 2HZ LYS 30 -13.778 -5.937 -5.273 227 3HZ LYS 30 3HZ LYS 30 -14.630 -6.777 -4.162 228 H VAL 31 HN VAL 31 -7.834 -1.163 -2.110 229 HA VAL 31 HA VAL 31 -5.286 -2.496 -2.669 230 HB VAL 31 HB VAL 31 -5.901 0.265 -1.596 231 1HG1 VAL 31 1HG1 VAL 31 -3.297 -1.131 -2.260 232 2HG1 VAL 31 2HG1 VAL 31 -3.443 0.640 -2.162 233 3HG1 VAL 31 3HG1 VAL 31 -3.784 -0.362 -0.731 234 1HG2 VAL 31 1HG2 VAL 31 -4.557 0.373 -4.091 235 2HG2 VAL 31 2HG2 VAL 31 -5.901 -0.779 -4.277 236 3HG2 VAL 31 3HG2 VAL 31 -6.221 0.879 -3.715 237 H TRP 32 HN TRP 32 -4.343 -3.713 -1.112 238 HA TRP 32 HA TRP 32 -4.854 -3.056 1.665 239 1HB TRP 32 2HB TRP 32 -5.636 -5.210 2.295 240 2HB TRP 32 3HB TRP 32 -6.694 -4.577 1.050 241 HD1 TRP 32 HD1 TRP 32 -4.186 -7.415 1.657 242 HE1 TRP 32 HE1 TRP 32 -4.292 -9.227 -0.259 243 HE3 TRP 32 HE3 TRP 32 -7.243 -4.753 -1.414 244 HZ2 TRP 32 HZ2 TRP 32 -5.613 -9.341 -2.786 245 HZ3 TRP 32 HZ3 TRP 32 -7.893 -5.787 -3.587 246 HH2 TRP 32 HH2 TRP 32 -7.129 -8.000 -4.290 247 H GLY 33 HN GLY 33 -3.080 -3.667 2.971 248 1HA GLY 33 1HA GLY 33 -1.038 -5.411 1.847 249 2HA GLY 33 2HA GLY 33 -0.584 -3.731 2.056 250 H SER 34 HN SER 34 1.009 -5.061 3.548 251 HA SER 34 HA SER 34 0.039 -4.629 6.197 252 1HB SER 34 2HB SER 34 -0.687 -6.874 6.152 253 2HB SER 34 3HB SER 34 0.645 -7.395 5.140 254 HG SER 34 HG SER 34 1.143 -8.135 7.192 255 H ILE 35 HN ILE 35 1.694 -3.580 7.239 256 HA ILE 35 HA ILE 35 4.322 -3.687 6.053 257 HB ILE 35 HB ILE 35 2.770 -1.825 7.553 258 1HG1 ILE 35 2HG1 ILE 35 4.958 -0.442 6.908 259 2HG1 ILE 35 3HG1 ILE 35 5.264 -1.846 5.905 260 1HG2 ILE 35 1HG2 ILE 35 5.532 -2.168 8.727 261 2HG2 ILE 35 2HG2 ILE 35 4.228 -1.078 9.253 262 3HG2 ILE 35 3HG2 ILE 35 4.066 -2.835 9.484 263 1HD1 ILE 35 1HD1 ILE 35 3.986 -0.172 4.633 264 2HD1 ILE 35 2HD1 ILE 35 2.979 -1.616 4.900 265 3HD1 ILE 35 3HD1 ILE 35 2.720 -0.156 5.885 266 H LYS 36 HN LYS 36 6.281 -4.014 7.457 267 HA LYS 36 HA LYS 36 5.882 -5.515 9.866 268 1HB LYS 36 2HB LYS 36 7.058 -6.936 7.459 269 2HB LYS 36 3HB LYS 36 6.955 -7.570 9.089 270 1HG LYS 36 2HG LYS 36 4.428 -7.288 8.971 271 2HG LYS 36 3HG LYS 36 4.603 -6.827 7.289 272 1HD LYS 36 2HD LYS 36 5.670 -9.022 6.782 273 2HD LYS 36 3HD LYS 36 5.548 -9.483 8.468 274 1HE LYS 36 2HE LYS 36 2.937 -8.813 7.997 275 2HE LYS 36 3HE LYS 36 3.401 -9.315 6.383 276 1HZ LYS 36 1HZ LYS 36 4.356 -11.332 7.543 277 2HZ LYS 36 2HZ LYS 36 3.473 -10.889 8.843 278 3HZ LYS 36 3HZ LYS 36 2.730 -11.238 7.432 279 H GLY 37 HN GLY 37 7.234 -4.251 11.060 280 1HA GLY 37 1HA GLY 37 9.928 -4.496 11.061 281 2HA GLY 37 2HA GLY 37 9.664 -3.193 9.919 282 H LEU 38 HN LEU 38 7.663 -1.649 10.843 283 HA LEU 38 HA LEU 38 8.819 -0.255 12.947 284 1HB LEU 38 2HB LEU 38 5.907 -0.091 12.229 285 2HB LEU 38 3HB LEU 38 6.968 1.174 12.817 286 HG LEU 38 HG LEU 38 8.220 0.555 10.486 287 1HD1 LEU 38 1HD1 LEU 38 6.925 -0.312 8.874 288 2HD1 LEU 38 2HD1 LEU 38 5.958 -0.949 10.226 289 3HD1 LEU 38 3HD1 LEU 38 5.475 0.563 9.421 290 1HD2 LEU 38 1HD2 LEU 38 6.007 2.448 10.088 291 2HD2 LEU 38 2HD2 LEU 38 6.951 2.725 11.571 292 3HD2 LEU 38 3HD2 LEU 38 7.768 2.691 9.990 293 H THR 39 HN THR 39 6.406 0.263 14.584 294 HA THR 39 HA THR 39 5.862 -2.275 15.870 295 HB THR 39 HB THR 39 6.774 -1.423 18.063 296 HG1 THR 39 1HG THR 39 7.873 0.576 16.215 297 1HG2 THR 39 1HG2 THR 39 8.268 -2.762 16.401 298 2HG2 THR 39 2HG2 THR 39 8.954 -1.185 15.939 299 3HG2 THR 39 3HG2 THR 39 9.116 -1.771 17.612 300 H GLU 40 HN GLU 40 4.125 -2.157 17.426 301 HA GLU 40 HA GLU 40 2.000 -0.806 16.612 302 1HB GLU 40 2HB GLU 40 1.959 -2.556 18.354 303 2HB GLU 40 3HB GLU 40 2.707 -1.466 19.505 304 1HG GLU 40 2HG GLU 40 0.577 0.074 18.735 305 2HG GLU 40 3HG GLU 40 -0.111 -1.520 18.492 306 H GLY 41 HN GLY 41 1.552 1.327 16.294 307 1HA GLY 41 1HA GLY 41 1.456 3.300 18.130 308 2HA GLY 41 2HA GLY 41 3.134 3.346 17.628 309 H LEU 42 HN LEU 42 2.958 5.391 16.579 310 HA LEU 42 HA LEU 42 1.157 5.430 14.267 311 1HB LEU 42 2HB LEU 42 2.479 7.676 15.795 312 2HB LEU 42 3HB LEU 42 1.521 7.885 14.342 313 HG LEU 42 HG LEU 42 -0.174 8.256 15.754 314 1HD1 LEU 42 1HD1 LEU 42 -0.653 5.983 14.798 315 2HD1 LEU 42 2HD1 LEU 42 -0.090 5.288 16.337 316 3HD1 LEU 42 3HD1 LEU 42 -1.509 6.363 16.312 317 1HD2 LEU 42 1HD2 LEU 42 1.341 8.471 17.663 318 2HD2 LEU 42 2HD2 LEU 42 -0.191 7.695 18.131 319 3HD2 LEU 42 3HD2 LEU 42 1.278 6.711 17.921 320 H HIS 43 HN HIS 43 2.095 6.691 12.324 321 HA HIS 43 HA HIS 43 4.967 6.324 12.117 322 1HB HIS 43 2HB HIS 43 3.002 5.102 10.158 323 2HB HIS 43 3HB HIS 43 4.744 5.140 9.969 324 HD1 HIS 43 HD1 HIS 43 5.594 4.292 12.855 325 HD2 HIS 43 HD2 HIS 43 2.591 2.420 10.603 326 HE1 HIS 43 HE1 HIS 43 5.368 1.928 13.789 327 H GLY 44 HN GLY 44 5.835 7.419 10.097 328 1HA GLY 44 1HA GLY 44 5.037 10.048 9.950 329 2HA GLY 44 2HA GLY 44 5.974 9.203 8.735 330 H PHE 45 HN PHE 45 5.018 8.558 6.783 331 HA PHE 45 HA PHE 45 2.322 8.155 6.381 332 1HB PHE 45 2HB PHE 45 2.044 10.554 6.911 333 2HB PHE 45 3HB PHE 45 3.407 10.988 5.898 334 HD1 PHE 45 1HD PHE 45 2.743 12.179 4.051 335 HD2 PHE 45 2HD PHE 45 0.309 8.959 5.359 336 HE1 PHE 45 1HE PHE 45 1.185 12.575 2.124 337 HE2 PHE 45 2HE PHE 45 -1.250 9.354 3.432 338 HZ PHE 45 HZ PHE 45 -0.793 11.157 1.837 339 H HIS 46 HN HIS 46 1.792 7.859 4.071 340 HA HIS 46 HA HIS 46 4.193 7.187 2.615 341 1HB HIS 46 2HB HIS 46 1.639 6.696 1.277 342 2HB HIS 46 3HB HIS 46 2.957 5.597 1.633 343 HD1 HIS 46 HD1 HIS 46 2.662 4.001 3.587 344 HD2 HIS 46 HD2 HIS 46 -0.253 7.016 3.486 345 HE1 HIS 46 HE1 HIS 46 0.929 3.380 5.354 346 H VAL 47 HN VAL 47 3.864 7.572 0.042 347 HA VAL 47 HA VAL 47 3.713 9.015 -1.636 348 HB VAL 47 HB VAL 47 2.088 10.834 0.142 349 1HG1 VAL 47 1HG1 VAL 47 1.057 11.504 -2.022 350 2HG1 VAL 47 2HG1 VAL 47 2.798 11.866 -1.933 351 3HG1 VAL 47 3HG1 VAL 47 2.227 10.464 -2.869 352 1HG2 VAL 47 1HG2 VAL 47 0.106 9.669 -0.431 353 2HG2 VAL 47 2HG2 VAL 47 0.946 8.673 -1.644 354 3HG2 VAL 47 3HG2 VAL 47 1.262 8.419 0.089 355 H HIS 48 HN HIS 48 5.357 10.301 -2.342 356 HA HIS 48 HA HIS 48 6.262 12.485 -0.766 357 1HB HIS 48 2HB HIS 48 8.216 11.733 0.098 358 2HB HIS 48 3HB HIS 48 7.317 10.230 0.158 359 HD1 HIS 48 HD1 HIS 48 8.084 8.298 -1.370 360 HD2 HIS 48 HD2 HIS 48 10.224 11.859 -1.950 361 HE1 HIS 48 HE1 HIS 48 10.088 7.698 -2.831 362 H GLU 49 HN GLU 49 6.583 14.020 -2.289 363 HA GLU 49 HA GLU 49 7.299 15.007 -4.093 364 1HB GLU 49 2HB GLU 49 9.180 12.926 -3.810 365 2HB GLU 49 3HB GLU 49 8.692 12.837 -5.491 366 1HG GLU 49 2HG GLU 49 8.981 15.537 -5.279 367 2HG GLU 49 3HG GLU 49 10.116 15.045 -4.037 368 H GLU 50 HN GLU 50 6.634 15.289 -6.332 369 HA GLU 50 HA GLU 50 4.315 13.782 -6.907 370 1HB GLU 50 2HB GLU 50 5.043 16.320 -7.448 371 2HB GLU 50 3HB GLU 50 5.554 15.597 -8.961 372 1HG GLU 50 2HG GLU 50 3.060 14.440 -8.632 373 2HG GLU 50 3HG GLU 50 2.804 16.007 -7.891 374 H GLU 51 HN GLU 51 4.142 11.927 -8.097 375 HA GLU 51 HA GLU 51 4.554 10.409 -9.614 376 1HB GLU 51 2HB GLU 51 5.733 12.615 -10.818 377 2HB GLU 51 3HB GLU 51 7.066 11.480 -10.768 378 1HG GLU 51 2HG GLU 51 6.176 10.524 -12.627 379 2HG GLU 51 3HG GLU 51 4.919 9.879 -11.590 380 H ASP 52 HN ASP 52 6.760 9.009 -10.451 381 HA ASP 52 HA ASP 52 8.709 8.889 -8.400 382 1HB ASP 52 2HB ASP 52 7.241 7.594 -7.106 383 2HB ASP 52 3HB ASP 52 6.427 6.926 -8.506 384 H ASN 53 HN ASN 53 10.535 7.604 -9.146 385 HA ASN 53 HA ASN 53 10.252 5.823 -11.298 386 1HB ASN 53 2HB ASN 53 11.216 8.648 -11.837 387 2HB ASN 53 3HB ASN 53 11.960 7.332 -12.723 388 1HD2 ASN 53 1HD2 ASN 53 9.577 9.569 -12.781 389 2HD2 ASN 53 2HD2 ASN 53 8.454 8.851 -13.887 390 H THR 54 HN THR 54 11.343 5.804 -8.622 391 HA THR 54 HA THR 54 14.205 5.478 -9.226 392 HB THR 54 HB THR 54 13.922 7.531 -7.899 393 HG1 THR 54 1HG THR 54 15.648 6.097 -7.249 394 1HG2 THR 54 1HG2 THR 54 12.654 7.679 -5.921 395 2HG2 THR 54 2HG2 THR 54 11.632 6.574 -6.872 396 3HG2 THR 54 3HG2 THR 54 12.727 5.925 -5.629 397 H ALA 55 HN ALA 55 11.542 4.614 -6.921 398 HA ALA 55 HA ALA 55 10.941 2.620 -6.141 399 1HB ALA 55 1HB ALA 55 11.792 1.901 -8.544 400 2HB ALA 55 2HB ALA 55 13.129 1.175 -7.619 401 3HB ALA 55 3HB ALA 55 11.451 0.673 -7.301 402 H GLY 56 HN GLY 56 14.554 2.654 -6.583 403 1HA GLY 56 1HA GLY 56 15.078 1.382 -4.111 404 2HA GLY 56 2HA GLY 56 16.217 2.249 -5.121 405 H CYS 57 HN CYS 57 14.620 4.788 -5.127 406 HA CYS 57 HA CYS 57 14.426 6.646 -3.976 407 1HB CYS 57 2HB CYS 57 14.342 5.106 -1.388 408 2HB CYS 57 3HB CYS 57 13.631 6.665 -1.755 409 H THR 58 HN THR 58 16.048 8.121 -3.503 410 HA THR 58 HA THR 58 18.454 7.041 -2.186 411 HB THR 58 HB THR 58 19.756 8.471 -3.715 412 HG1 THR 58 1HG THR 58 17.114 9.095 -4.817 413 1HG2 THR 58 1HG2 THR 58 17.574 7.230 -5.451 414 2HG2 THR 58 2HG2 THR 58 19.295 7.449 -5.848 415 3HG2 THR 58 3HG2 THR 58 18.807 6.231 -4.645 416 H SER 59 HN SER 59 19.601 9.829 -2.318 417 HA SER 59 HA SER 59 17.922 10.955 -0.215 418 1HB SER 59 2HB SER 59 20.047 11.765 0.861 419 2HB SER 59 3HB SER 59 19.888 10.020 0.847 420 HG SER 59 HG SER 59 21.326 9.918 -0.966 421 H ALA 60 HN ALA 60 16.918 12.310 -1.883 422 HA ALA 60 HA ALA 60 18.745 14.262 -3.086 423 1HB ALA 60 1HB ALA 60 15.899 14.230 -3.896 424 2HB ALA 60 2HB ALA 60 17.373 14.249 -4.894 425 3HB ALA 60 3HB ALA 60 16.774 12.714 -4.220 426 H GLY 61 HN GLY 61 15.326 14.218 -1.838 427 1HA GLY 61 1HA GLY 61 15.764 16.041 0.244 428 2HA GLY 61 2HA GLY 61 15.303 16.950 -1.181 429 HA PRO 62 HA PRO 62 11.711 14.107 0.131 430 1HB PRO 62 2HB PRO 62 11.695 13.231 2.720 431 2HB PRO 62 3HB PRO 62 12.251 12.249 1.379 432 1HG PRO 62 2HG PRO 62 13.844 13.635 3.448 433 2HG PRO 62 3HG PRO 62 14.328 12.332 2.381 434 1HD PRO 62 2HD PRO 62 15.007 15.107 2.118 435 2HD PRO 62 3HD PRO 62 15.392 13.822 0.990 436 H HIS 63 HN HIS 63 10.187 15.623 -0.066 437 HA HIS 63 HA HIS 63 9.440 16.911 2.381 438 1HB HIS 63 2HB HIS 63 9.584 19.207 1.415 439 2HB HIS 63 3HB HIS 63 11.131 18.467 1.777 440 HD1 HIS 63 HD1 HIS 63 8.990 18.054 -1.380 441 HD2 HIS 63 HD2 HIS 63 12.758 19.460 -0.187 442 HE1 HIS 63 HE1 HIS 63 10.238 18.661 -3.521 443 H PHE 64 HN PHE 64 8.155 14.944 0.852 444 HA PHE 64 HA PHE 64 6.349 14.489 -0.360 445 1HB PHE 64 2HB PHE 64 5.269 17.094 0.838 446 2HB PHE 64 3HB PHE 64 4.378 15.610 0.561 447 HD1 PHE 64 1HD PHE 64 5.330 13.512 1.899 448 HD2 PHE 64 2HD PHE 64 5.938 17.567 2.994 449 HE1 PHE 64 1HE PHE 64 5.768 12.808 4.268 450 HE2 PHE 64 2HE PHE 64 6.375 16.862 5.363 451 HZ PHE 64 HZ PHE 64 6.285 14.491 5.972 452 H ASN 65 HN ASN 65 4.242 16.128 -1.408 453 HA ASN 65 HA ASN 65 5.639 17.100 -3.709 454 1HB ASN 65 2HB ASN 65 2.629 17.103 -3.150 455 2HB ASN 65 3HB ASN 65 3.394 17.257 -4.719 456 1HD2 ASN 65 1HD2 ASN 65 2.384 15.149 -2.197 457 2HD2 ASN 65 2HD2 ASN 65 2.766 13.632 -2.941 458 HA PRO 66 HA PRO 66 5.099 21.322 -2.652 459 1HB PRO 66 2HB PRO 66 4.915 22.540 -5.091 460 2HB PRO 66 3HB PRO 66 6.437 22.034 -4.386 461 1HG PRO 66 2HG PRO 66 4.905 20.781 -6.582 462 2HG PRO 66 3HG PRO 66 6.589 20.559 -6.152 463 1HD PRO 66 2HD PRO 66 4.428 18.753 -5.612 464 2HD PRO 66 3HD PRO 66 6.090 18.587 -5.082 465 H LEU 67 HN LEU 67 2.921 20.294 -1.813 466 HA LEU 67 HA LEU 67 0.963 22.244 -2.675 467 1HB LEU 67 2HB LEU 67 0.922 19.766 -3.857 468 2HB LEU 67 3HB LEU 67 -0.180 19.548 -2.512 469 HG LEU 67 HG LEU 67 -0.392 21.660 -4.675 470 1HD1 LEU 67 1HD1 LEU 67 -0.951 19.466 -5.516 471 2HD1 LEU 67 2HD1 LEU 67 -2.028 19.168 -4.130 472 3HD1 LEU 67 3HD1 LEU 67 -2.438 20.425 -5.322 473 1HD2 LEU 67 1HD2 LEU 67 -1.169 22.335 -2.342 474 2HD2 LEU 67 2HD2 LEU 67 -2.351 22.476 -3.665 475 3HD2 LEU 67 3HD2 LEU 67 -2.444 21.107 -2.531 476 H SER 68 HN SER 68 1.850 19.447 -0.575 477 HA SER 68 HA SER 68 -0.044 20.006 1.375 478 1HB SER 68 2HB SER 68 1.435 18.580 2.843 479 2HB SER 68 3HB SER 68 1.022 17.839 1.309 480 HG SER 68 HG SER 68 3.486 18.346 2.312 481 H ARG 69 HN ARG 69 2.869 21.634 0.441 482 HA ARG 69 HA ARG 69 3.855 23.407 1.189 483 1HB ARG 69 2HB ARG 69 1.585 23.466 3.234 484 2HB ARG 69 3HB ARG 69 2.806 24.719 3.148 485 1HG ARG 69 2HG ARG 69 2.182 24.957 0.644 486 2HG ARG 69 3HG ARG 69 0.793 23.947 0.995 487 1HD ARG 69 2HD ARG 69 0.235 25.630 2.893 488 2HD ARG 69 3HD ARG 69 1.440 26.682 2.178 489 HE ARG 69 HE ARG 69 -0.469 25.707 0.202 490 1HH1 ARG 69 2HH2 ARG 69 0.052 28.135 2.694 491 2HH1 ARG 69 1HH2 ARG 69 -1.070 29.263 2.010 492 1HH2 ARG 69 2HH1 ARG 69 -1.950 27.194 -0.702 493 2HH2 ARG 69 1HH1 ARG 69 -2.217 28.724 0.065 494 H LYS 70 HN LYS 70 2.575 21.755 4.182 495 HA LYS 70 HA LYS 70 5.237 20.948 4.897 496 1HB LYS 70 2HB LYS 70 4.039 23.371 6.038 497 2HB LYS 70 3HB LYS 70 4.505 22.200 7.256 498 1HG LYS 70 2HG LYS 70 6.792 22.110 6.412 499 2HG LYS 70 3HG LYS 70 6.367 23.044 4.991 500 1HD LYS 70 2HD LYS 70 5.747 24.979 6.515 501 2HD LYS 70 3HD LYS 70 6.327 24.042 7.878 502 1HE LYS 70 2HE LYS 70 8.552 24.321 7.308 503 2HE LYS 70 3HE LYS 70 8.234 24.250 5.586 504 1HZ LYS 70 1HZ LYS 70 8.721 26.435 5.904 505 2HZ LYS 70 2HZ LYS 70 7.094 26.498 6.035 506 3HZ LYS 70 3HZ LYS 70 8.023 26.530 7.377 507 H HIS 71 HN HIS 71 5.085 19.781 7.168 508 HA HIS 71 HA HIS 71 3.229 17.752 6.862 509 1HB HIS 71 2HB HIS 71 4.391 16.764 8.503 510 2HB HIS 71 3HB HIS 71 5.495 18.109 8.301 511 HD1 HIS 71 HD1 HIS 71 4.152 16.324 10.944 512 HD2 HIS 71 HD2 HIS 71 4.214 20.430 10.089 513 HE1 HIS 71 HE1 HIS 71 3.803 17.523 13.169 514 H GLY 72 HN GLY 72 1.713 17.105 8.859 515 1HA GLY 72 1HA GLY 72 0.465 19.088 10.377 516 2HA GLY 72 2HA GLY 72 -0.407 18.965 8.861 517 H GLY 73 HN GLY 73 -2.302 18.057 9.811 518 1HA GLY 73 1HA GLY 73 -1.971 15.453 11.142 519 2HA GLY 73 2HA GLY 73 -3.378 16.496 11.210 520 HA PRO 74 HA PRO 74 -4.833 13.771 8.092 521 1HB PRO 74 2HB PRO 74 -7.443 14.582 8.124 522 2HB PRO 74 3HB PRO 74 -6.802 13.370 9.216 523 1HG PRO 74 2HG PRO 74 -7.497 16.189 9.776 524 2HG PRO 74 3HG PRO 74 -7.269 14.869 10.906 525 1HD PRO 74 2HD PRO 74 -5.421 16.992 10.349 526 2HD PRO 74 3HD PRO 74 -5.147 15.610 11.391 527 H LYS 75 HN LYS 75 -6.495 16.886 7.900 528 HA LYS 75 HA LYS 75 -5.087 17.850 5.745 529 1HB LYS 75 2HB LYS 75 -7.038 17.352 4.007 530 2HB LYS 75 3HB LYS 75 -5.645 16.303 4.178 531 1HG LYS 75 2HG LYS 75 -6.854 14.619 5.224 532 2HG LYS 75 3HG LYS 75 -7.940 15.739 6.022 533 1HD LYS 75 2HD LYS 75 -8.441 16.074 3.243 534 2HD LYS 75 3HD LYS 75 -8.279 14.345 3.473 535 1HE LYS 75 2HE LYS 75 -10.023 16.029 5.316 536 2HE LYS 75 3HE LYS 75 -10.642 15.394 3.804 537 1HZ LYS 75 1HZ LYS 75 -9.266 13.517 5.506 538 2HZ LYS 75 2HZ LYS 75 -10.714 14.048 6.044 539 3HZ LYS 75 3HZ LYS 75 -10.603 13.309 4.592 540 H ASP 76 HN ASP 76 -5.596 19.426 7.561 541 HA ASP 76 HA ASP 76 -7.995 20.837 6.772 542 1HB ASP 76 2HB ASP 76 -7.472 19.591 9.397 543 2HB ASP 76 3HB ASP 76 -7.798 21.307 9.539 544 H GLU 77 HN GLU 77 -5.029 20.738 8.876 545 HA GLU 77 HA GLU 77 -4.750 23.599 8.481 546 1HB GLU 77 2HB GLU 77 -4.424 21.983 10.737 547 2HB GLU 77 3HB GLU 77 -2.772 22.273 10.227 548 1HG GLU 77 2HG GLU 77 -3.146 24.713 10.239 549 2HG GLU 77 3HG GLU 77 -4.846 24.485 10.596 550 H GLU 78 HN GLU 78 -3.897 20.802 6.922 551 HA GLU 78 HA GLU 78 -2.177 21.895 5.199 552 1HB GLU 78 2HB GLU 78 -0.809 21.498 7.707 553 2HB GLU 78 3HB GLU 78 -0.127 20.386 6.537 554 1HG GLU 78 2HG GLU 78 0.748 22.074 5.225 555 2HG GLU 78 3HG GLU 78 -0.606 23.149 5.512 556 H ARG 79 HN ARG 79 -0.460 19.899 4.389 557 HA ARG 79 HA ARG 79 -0.395 17.993 3.377 558 1HB ARG 79 2HB ARG 79 -1.625 17.314 5.999 559 2HB ARG 79 3HB ARG 79 -1.944 16.122 4.755 560 1HG ARG 79 2HG ARG 79 0.589 16.177 4.239 561 2HG ARG 79 3HG ARG 79 0.778 17.106 5.712 562 1HD ARG 79 2HD ARG 79 -0.737 15.059 6.691 563 2HD ARG 79 3HD ARG 79 0.046 14.214 5.371 564 HE ARG 79 HE ARG 79 1.318 15.177 7.814 565 1HH1 ARG 79 2HH2 ARG 79 1.883 14.369 4.436 566 2HH1 ARG 79 1HH2 ARG 79 3.570 14.048 4.662 567 1HH2 ARG 79 2HH1 ARG 79 3.544 14.754 8.113 568 2HH2 ARG 79 1HH1 ARG 79 4.521 14.269 6.768 569 H HIS 80 HN HIS 80 -1.836 19.232 1.760 570 HA HIS 80 HA HIS 80 -4.470 17.958 1.607 571 1HB HIS 80 2HB HIS 80 -3.831 20.655 1.634 572 2HB HIS 80 3HB HIS 80 -4.035 20.321 -0.075 573 HD1 HIS 80 HD1 HIS 80 -5.929 20.763 3.087 574 HD2 HIS 80 HD2 HIS 80 -6.676 19.357 -0.794 575 HE1 HIS 80 HE1 HIS 80 -8.467 20.680 2.832 576 H VAL 81 HN VAL 81 -1.538 17.234 0.661 577 HA VAL 81 HA VAL 81 -2.163 16.961 -2.187 578 HB VAL 81 HB VAL 81 0.001 18.019 -1.203 579 1HG1 VAL 81 1HG1 VAL 81 0.491 16.156 0.352 580 2HG1 VAL 81 2HG1 VAL 81 0.722 15.073 -1.042 581 3HG1 VAL 81 3HG1 VAL 81 1.821 16.451 -0.794 582 1HG2 VAL 81 1HG2 VAL 81 0.897 16.063 -3.188 583 2HG2 VAL 81 2HG2 VAL 81 -0.656 16.819 -3.617 584 3HG2 VAL 81 3HG2 VAL 81 0.771 17.835 -3.300 585 H GLY 82 HN GLY 82 -1.107 15.145 0.756 586 1HA GLY 82 1HA GLY 82 -1.829 12.645 -0.643 587 2HA GLY 82 2HA GLY 82 -0.685 12.787 0.678 588 H ASP 83 HN ASP 83 -2.213 14.604 2.366 589 HA ASP 83 HA ASP 83 -3.727 14.599 3.917 590 1HB ASP 83 2HB ASP 83 -5.464 12.673 2.336 591 2HB ASP 83 3HB ASP 83 -5.981 13.926 3.447 592 H LEU 84 HN LEU 84 -5.598 12.468 4.746 593 HA LEU 84 HA LEU 84 -5.702 10.429 5.652 594 1HB LEU 84 2HB LEU 84 -4.120 9.804 3.690 595 2HB LEU 84 3HB LEU 84 -2.862 9.808 4.910 596 HG LEU 84 HG LEU 84 -3.772 7.559 4.448 597 1HD1 LEU 84 1HD1 LEU 84 -3.423 6.878 6.566 598 2HD1 LEU 84 2HD1 LEU 84 -3.021 8.592 6.833 599 3HD1 LEU 84 3HD1 LEU 84 -4.643 7.984 7.242 600 1HD2 LEU 84 1HD2 LEU 84 -6.143 8.475 4.058 601 2HD2 LEU 84 2HD2 LEU 84 -5.971 6.906 4.882 602 3HD2 LEU 84 3HD2 LEU 84 -6.326 8.373 5.826 603 H GLY 85 HN GLY 85 -2.279 11.599 6.052 604 1HA GLY 85 1HA GLY 85 -1.678 12.797 8.039 605 2HA GLY 85 2HA GLY 85 -2.844 11.849 8.941 606 H ASN 86 HN ASN 86 -1.853 10.417 10.288 607 HA ASN 86 HA ASN 86 0.695 9.353 9.416 608 1HB ASN 86 2HB ASN 86 -0.713 9.288 12.138 609 2HB ASN 86 3HB ASN 86 0.865 8.588 11.835 610 1HD2 ASN 86 1HD2 ASN 86 0.428 10.535 13.740 611 2HD2 ASN 86 2HD2 ASN 86 1.235 12.003 13.302 612 H VAL 87 HN VAL 87 0.988 6.914 10.403 613 HA VAL 87 HA VAL 87 -1.451 5.442 9.675 614 HB VAL 87 HB VAL 87 1.324 4.337 9.403 615 1HG1 VAL 87 1HG1 VAL 87 0.267 2.984 7.640 616 2HG1 VAL 87 2HG1 VAL 87 -0.577 2.804 9.197 617 3HG1 VAL 87 3HG1 VAL 87 -1.277 3.827 7.919 618 1HG2 VAL 87 1HG2 VAL 87 0.682 5.161 6.847 619 2HG2 VAL 87 2HG2 VAL 87 0.177 6.545 7.846 620 3HG2 VAL 87 3HG2 VAL 87 1.852 5.949 7.932 621 H THR 88 HN THR 88 -1.690 3.309 10.784 622 HA THR 88 HA THR 88 -0.401 3.362 13.433 623 HB THR 88 HB THR 88 -3.299 2.838 12.613 624 HG1 THR 88 1HG THR 88 -3.463 4.818 13.631 625 1HG2 THR 88 1HG2 THR 88 -3.762 2.259 14.928 626 2HG2 THR 88 2HG2 THR 88 -2.446 1.185 14.398 627 3HG2 THR 88 3HG2 THR 88 -2.084 2.604 15.409 628 H ALA 89 HN ALA 89 0.168 1.377 14.374 629 HA ALA 89 HA ALA 89 0.391 -0.755 12.382 630 1HB ALA 89 1HB ALA 89 2.528 -0.217 13.185 631 2HB ALA 89 2HB ALA 89 1.943 0.063 14.842 632 3HB ALA 89 3HB ALA 89 2.064 -1.596 14.210 633 H ASP 90 HN ASP 90 0.446 -3.053 13.586 634 HA ASP 90 HA ASP 90 -2.164 -3.284 14.670 635 1HB ASP 90 2HB ASP 90 -1.469 -5.052 13.220 636 2HB ASP 90 3HB ASP 90 0.087 -5.209 14.010 637 H LYS 91 HN LYS 91 0.478 -5.338 15.897 638 HA LYS 91 HA LYS 91 0.437 -3.941 18.461 639 1HB LYS 91 2HB LYS 91 0.018 -5.958 19.700 640 2HB LYS 91 3HB LYS 91 -1.286 -5.719 18.554 641 1HG LYS 91 2HG LYS 91 -0.361 -7.385 17.030 642 2HG LYS 91 3HG LYS 91 1.122 -7.495 17.958 643 1HD LYS 91 2HD LYS 91 -0.377 -8.234 19.954 644 2HD LYS 91 3HD LYS 91 -1.657 -8.436 18.775 645 1HE LYS 91 2HE LYS 91 -0.266 -10.042 17.492 646 2HE LYS 91 3HE LYS 91 1.076 -9.793 18.591 647 1HZ LYS 91 1HZ LYS 91 -1.134 -10.429 20.118 648 2HZ LYS 91 2HZ LYS 91 -1.093 -11.504 18.890 649 3HZ LYS 91 3HZ LYS 91 0.203 -11.334 19.869 650 H ASP 92 HN ASP 92 2.216 -4.609 15.919 651 HA ASP 92 HA ASP 92 4.574 -4.848 17.493 652 1HB ASP 92 2HB ASP 92 3.479 -7.221 16.439 653 2HB ASP 92 3HB ASP 92 4.708 -6.782 15.269 654 H GLY 93 HN GLY 93 3.145 -2.968 15.614 655 1HA GLY 93 1HA GLY 93 4.105 -1.389 14.216 656 2HA GLY 93 2HA GLY 93 5.361 -2.523 13.761 657 H VAL 94 HN VAL 94 3.710 -4.814 13.123 658 HA VAL 94 HA VAL 94 3.273 -4.544 10.498 659 HB VAL 94 HB VAL 94 1.565 -6.147 12.413 660 1HG1 VAL 94 1HG1 VAL 94 0.714 -7.278 10.659 661 2HG1 VAL 94 2HG1 VAL 94 1.190 -5.844 9.717 662 3HG1 VAL 94 3HG1 VAL 94 2.257 -7.268 9.772 663 1HG2 VAL 94 1HG2 VAL 94 4.369 -6.483 11.423 664 2HG2 VAL 94 2HG2 VAL 94 3.657 -6.878 13.006 665 3HG2 VAL 94 3HG2 VAL 94 3.358 -7.937 11.606 666 H ALA 95 HN ALA 95 2.187 -3.029 9.356 667 HA ALA 95 HA ALA 95 -0.379 -2.127 10.473 668 1HB ALA 95 1HB ALA 95 1.847 -0.751 8.980 669 2HB ALA 95 2HB ALA 95 0.180 -0.150 8.809 670 3HB ALA 95 3HB ALA 95 0.942 -0.213 10.416 671 H ASP 96 HN ASP 96 -2.121 -2.944 9.433 672 HA ASP 96 HA ASP 96 -1.686 -3.872 6.720 673 1HB ASP 96 2HB ASP 96 -3.600 -5.284 7.037 674 2HB ASP 96 3HB ASP 96 -2.671 -5.395 8.520 675 H VAL 97 HN VAL 97 -3.262 -3.245 5.030 676 HA VAL 97 HA VAL 97 -4.989 -0.998 5.782 677 HB VAL 97 HB VAL 97 -3.277 -1.114 3.295 678 1HG1 VAL 97 1HG1 VAL 97 -3.960 1.148 2.918 679 2HG1 VAL 97 2HG1 VAL 97 -5.432 0.198 3.231 680 3HG1 VAL 97 3HG1 VAL 97 -4.757 1.239 4.507 681 1HG2 VAL 97 1HG2 VAL 97 -1.642 -0.801 4.902 682 2HG2 VAL 97 2HG2 VAL 97 -2.118 0.879 4.555 683 3HG2 VAL 97 3HG2 VAL 97 -2.738 0.060 6.009 684 H SER 98 HN SER 98 -6.819 -0.683 4.279 685 HA SER 98 HA SER 98 -7.300 -2.484 2.222 686 1HB SER 98 2HB SER 98 -7.625 -4.238 3.801 687 2HB SER 98 3HB SER 98 -8.467 -3.194 4.929 688 HG SER 98 HG SER 98 -10.296 -3.768 3.998 689 H ILE 99 HN ILE 99 -8.061 -0.666 1.092 690 HA ILE 99 HA ILE 99 -10.564 0.446 2.130 691 HB ILE 99 HB ILE 99 -8.349 2.061 0.865 692 1HG1 ILE 99 2HG1 ILE 99 -8.880 2.914 3.516 693 2HG1 ILE 99 3HG1 ILE 99 -8.678 1.174 3.587 694 1HG2 ILE 99 1HG2 ILE 99 -10.373 3.103 0.311 695 2HG2 ILE 99 2HG2 ILE 99 -11.100 2.745 1.896 696 3HG2 ILE 99 3HG2 ILE 99 -9.808 3.963 1.764 697 1HD1 ILE 99 1HD1 ILE 99 -6.465 1.974 3.790 698 2HD1 ILE 99 2HD1 ILE 99 -6.579 1.568 2.061 699 3HD1 ILE 99 3HD1 ILE 99 -6.721 3.262 2.589 700 H GLU 100 HN GLU 100 -11.811 1.586 0.301 701 HA GLU 100 HA GLU 100 -11.225 0.246 -2.217 702 1HB GLU 100 2HB GLU 100 -13.678 -0.127 -2.530 703 2HB GLU 100 3HB GLU 100 -13.026 -1.021 -1.172 704 1HG GLU 100 2HG GLU 100 -13.735 1.308 0.095 705 2HG GLU 100 3HG GLU 100 -14.928 1.288 -1.189 706 H ASP 101 HN ASP 101 -10.358 2.151 -3.148 707 HA ASP 101 HA ASP 101 -12.050 4.490 -3.063 708 1HB ASP 101 2HB ASP 101 -9.289 4.090 -4.309 709 2HB ASP 101 3HB ASP 101 -10.106 5.629 -4.122 710 H SER 102 HN SER 102 -13.345 5.023 -4.842 711 HA SER 102 HA SER 102 -12.944 3.409 -7.222 712 1HB SER 102 2HB SER 102 -15.201 3.309 -7.364 713 2HB SER 102 3HB SER 102 -15.238 4.000 -5.755 714 HG SER 102 HG SER 102 -16.071 5.791 -6.564 715 H VAL 103 HN VAL 103 -12.912 6.706 -5.922 716 HA VAL 103 HA VAL 103 -13.178 8.146 -8.278 717 HB VAL 103 HB VAL 103 -11.680 8.682 -5.711 718 1HG1 VAL 103 1HG1 VAL 103 -12.440 11.082 -7.123 719 2HG1 VAL 103 2HG1 VAL 103 -10.837 10.572 -6.541 720 3HG1 VAL 103 3HG1 VAL 103 -11.398 10.073 -8.155 721 1HG2 VAL 103 1HG2 VAL 103 -14.365 8.460 -6.104 722 2HG2 VAL 103 2HG2 VAL 103 -13.614 9.493 -4.864 723 3HG2 VAL 103 3HG2 VAL 103 -14.125 10.196 -6.417 724 H ILE 104 HN ILE 104 -10.218 6.841 -6.638 725 HA ILE 104 HA ILE 104 -8.558 7.709 -8.802 726 HB ILE 104 HB ILE 104 -6.785 6.580 -7.561 727 1HG1 ILE 104 2HG1 ILE 104 -7.387 5.638 -5.275 728 2HG1 ILE 104 3HG1 ILE 104 -9.053 5.597 -5.815 729 1HG2 ILE 104 1HG2 ILE 104 -7.061 8.788 -6.893 730 2HG2 ILE 104 2HG2 ILE 104 -8.634 8.469 -6.123 731 3HG2 ILE 104 3HG2 ILE 104 -7.134 7.890 -5.358 732 1HD1 ILE 104 1HD1 ILE 104 -7.251 4.437 -7.825 733 2HD1 ILE 104 2HD1 ILE 104 -7.120 3.611 -6.254 734 3HD1 ILE 104 3HD1 ILE 104 -8.699 3.735 -7.066 735 H SER 105 HN SER 105 -7.029 5.986 -9.843 736 HA SER 105 HA SER 105 -7.766 3.379 -10.076 737 1HB SER 105 2HB SER 105 -9.770 4.881 -11.250 738 2HB SER 105 3HB SER 105 -8.742 4.548 -12.629 739 HG SER 105 HG SER 105 -10.530 2.930 -11.914 740 H LEU 106 HN LEU 106 -6.823 2.409 -12.275 741 HA LEU 106 HA LEU 106 -4.311 3.801 -12.694 742 1HB LEU 106 2HB LEU 106 -4.946 1.156 -13.912 743 2HB LEU 106 3HB LEU 106 -3.423 1.782 -13.311 744 HG LEU 106 HG LEU 106 -4.876 1.652 -10.997 745 1HD1 LEU 106 1HD1 LEU 106 -6.089 -0.233 -12.932 746 2HD1 LEU 106 2HD1 LEU 106 -5.706 -0.895 -11.325 747 3HD1 LEU 106 3HD1 LEU 106 -6.770 0.524 -11.472 748 1HD2 LEU 106 1HD2 LEU 106 -2.592 0.497 -12.071 749 2HD2 LEU 106 2HD2 LEU 106 -3.155 0.380 -10.387 750 3HD2 LEU 106 3HD2 LEU 106 -3.577 -0.893 -11.557 751 H SER 107 HN SER 107 -6.129 5.416 -13.760 752 HA SER 107 HA SER 107 -6.275 4.652 -16.566 753 1HB SER 107 2HB SER 107 -8.124 5.965 -14.749 754 2HB SER 107 3HB SER 107 -7.773 7.038 -16.090 755 HG SER 107 HG SER 107 -8.275 5.181 -17.534 756 H GLY 108 HN GLY 108 -6.102 6.677 -18.107 757 1HA GLY 108 1HA GLY 108 -3.574 7.938 -17.546 758 2HA GLY 108 2HA GLY 108 -4.543 8.070 -19.000 759 H ASP 109 HN ASP 109 -5.153 8.829 -15.491 760 HA ASP 109 HA ASP 109 -5.154 11.589 -15.983 761 1HB ASP 109 2HB ASP 109 -7.503 10.452 -16.803 762 2HB ASP 109 3HB ASP 109 -7.883 10.701 -15.111 763 H HIS 110 HN HIS 110 -6.681 8.924 -14.027 764 HA HIS 110 HA HIS 110 -5.814 10.349 -11.619 765 1HB HIS 110 2HB HIS 110 -8.210 8.672 -12.253 766 2HB HIS 110 3HB HIS 110 -7.580 8.627 -10.619 767 HD1 HIS 110 HD1 HIS 110 -8.115 11.560 -13.051 768 HD2 HIS 110 HD2 HIS 110 -9.089 10.353 -9.153 769 HE1 HIS 110 HE1 HIS 110 -9.426 13.487 -12.012 770 H SER 111 HN SER 111 -4.225 8.557 -13.473 771 HA SER 111 HA SER 111 -3.905 6.047 -12.744 772 1HB SER 111 2HB SER 111 -1.586 6.220 -13.380 773 2HB SER 111 3HB SER 111 -2.472 7.379 -14.350 774 HG SER 111 HG SER 111 -0.605 8.404 -13.537 775 H ILE 112 HN ILE 112 -3.113 4.820 -10.998 776 HA ILE 112 HA ILE 112 -2.559 6.381 -8.581 777 HB ILE 112 HB ILE 112 -3.134 4.222 -7.428 778 1HG1 ILE 112 2HG1 ILE 112 -4.183 3.442 -10.164 779 2HG1 ILE 112 3HG1 ILE 112 -2.773 2.745 -9.392 780 1HG2 ILE 112 1HG2 ILE 112 -4.708 6.307 -8.281 781 2HG2 ILE 112 2HG2 ILE 112 -5.607 4.883 -8.858 782 3HG2 ILE 112 3HG2 ILE 112 -5.194 5.036 -7.133 783 1HD1 ILE 112 1HD1 ILE 112 -4.589 2.451 -7.369 784 2HD1 ILE 112 2HD1 ILE 112 -5.667 2.344 -8.781 785 3HD1 ILE 112 3HD1 ILE 112 -4.301 1.214 -8.616 786 H ILE 113 HN ILE 113 -1.356 3.865 -10.805 787 HA ILE 113 HA ILE 113 0.661 2.760 -9.383 788 HB ILE 113 HB ILE 113 0.481 3.570 -12.275 789 1HG1 ILE 113 2HG1 ILE 113 0.006 1.030 -10.718 790 2HG1 ILE 113 3HG1 ILE 113 -1.100 1.898 -11.763 791 1HG2 ILE 113 1HG2 ILE 113 2.412 2.130 -12.724 792 2HG2 ILE 113 2HG2 ILE 113 2.851 3.518 -11.700 793 3HG2 ILE 113 3HG2 ILE 113 2.654 1.903 -10.976 794 1HD1 ILE 113 1HD1 ILE 113 1.402 0.381 -12.630 795 2HD1 ILE 113 2HD1 ILE 113 -0.289 -0.067 -12.958 796 3HD1 ILE 113 3HD1 ILE 113 0.413 1.378 -13.724 797 H GLY 114 HN GLY 114 2.408 3.481 -8.292 798 1HA GLY 114 1HA GLY 114 4.449 4.787 -8.451 799 2HA GLY 114 2HA GLY 114 3.498 6.117 -9.080 800 H ARG 115 HN ARG 115 1.645 4.457 -6.749 801 HA ARG 115 HA ARG 115 2.243 6.555 -4.861 802 1HB ARG 115 2HB ARG 115 -0.112 4.834 -5.498 803 2HB ARG 115 3HB ARG 115 0.108 5.148 -3.788 804 1HG ARG 115 2HG ARG 115 0.538 7.666 -4.907 805 2HG ARG 115 3HG ARG 115 -0.699 7.003 -5.956 806 1HD ARG 115 2HD ARG 115 -2.216 6.635 -4.109 807 2HD ARG 115 3HD ARG 115 -0.952 6.884 -2.921 808 HE ARG 115 HE ARG 115 -1.422 9.191 -4.688 809 1HH1 ARG 115 2HH2 ARG 115 -2.261 7.621 -1.653 810 2HH1 ARG 115 1HH2 ARG 115 -2.846 9.075 -0.915 811 1HH2 ARG 115 2HH1 ARG 115 -2.194 11.110 -3.715 812 2HH2 ARG 115 1HH1 ARG 115 -2.808 11.073 -2.096 813 H THR 116 HN THR 116 4.370 5.382 -4.362 814 HA THR 116 HA THR 116 4.368 2.827 -3.194 815 HB THR 116 HB THR 116 6.391 3.829 -4.135 816 HG1 THR 116 1HG THR 116 6.322 2.559 -1.974 817 1HG2 THR 116 1HG2 THR 116 7.320 5.702 -2.328 818 2HG2 THR 116 2HG2 THR 116 6.562 6.121 -3.883 819 3HG2 THR 116 3HG2 THR 116 5.591 6.119 -2.392 820 H LEU 117 HN LEU 117 4.307 2.082 -1.087 821 HA LEU 117 HA LEU 117 2.928 3.881 0.718 822 1HB LEU 117 2HB LEU 117 3.314 0.942 0.462 823 2HB LEU 117 3HB LEU 117 3.042 1.584 2.070 824 HG LEU 117 HG LEU 117 1.050 0.763 0.551 825 1HD1 LEU 117 1HD1 LEU 117 1.224 2.130 2.873 826 2HD1 LEU 117 2HD1 LEU 117 0.353 3.318 1.874 827 3HD1 LEU 117 3HD1 LEU 117 -0.313 1.682 2.095 828 1HD2 LEU 117 1HD2 LEU 117 1.820 2.499 -1.231 829 2HD2 LEU 117 2HD2 LEU 117 0.084 2.273 -0.908 830 3HD2 LEU 117 3HD2 LEU 117 0.944 3.666 -0.211 831 H VAL 118 HN VAL 118 4.761 5.345 1.053 832 HA VAL 118 HA VAL 118 7.123 4.268 2.266 833 HB VAL 118 HB VAL 118 6.304 7.160 2.217 834 1HG1 VAL 118 1HG1 VAL 118 8.362 7.323 3.086 835 2HG1 VAL 118 2HG1 VAL 118 8.748 5.629 2.698 836 3HG1 VAL 118 3HG1 VAL 118 8.968 6.897 1.467 837 1HG2 VAL 118 1HG2 VAL 118 6.048 7.088 -0.004 838 2HG2 VAL 118 2HG2 VAL 118 7.789 6.731 -0.108 839 3HG2 VAL 118 3HG2 VAL 118 6.607 5.400 -0.087 840 H VAL 119 HN VAL 119 7.771 4.457 4.452 841 HA VAL 119 HA VAL 119 5.780 5.509 6.300 842 HB VAL 119 HB VAL 119 5.905 3.493 7.677 843 1HG1 VAL 119 1HG1 VAL 119 4.041 3.733 6.124 844 2HG1 VAL 119 2HG1 VAL 119 4.995 2.978 4.825 845 3HG1 VAL 119 3HG1 VAL 119 4.519 2.023 6.250 846 1HG2 VAL 119 1HG2 VAL 119 7.842 2.335 7.303 847 2HG2 VAL 119 2HG2 VAL 119 6.750 1.394 6.258 848 3HG2 VAL 119 3HG2 VAL 119 7.816 2.631 5.548 849 H HIS 120 HN HIS 120 6.726 6.656 7.934 850 HA HIS 120 HA HIS 120 9.602 6.789 7.877 851 1HB HIS 120 2HB HIS 120 7.603 8.341 9.545 852 2HB HIS 120 3HB HIS 120 9.310 8.699 9.378 853 HD1 HIS 120 HD1 HIS 120 8.537 11.084 8.459 854 HD2 HIS 120 HD2 HIS 120 7.557 7.806 6.032 855 HE1 HIS 120 HE1 HIS 120 7.919 12.044 6.177 856 H GLU 121 HN GLU 121 10.901 6.661 9.906 857 HA GLU 121 HA GLU 121 10.595 4.272 11.135 858 1HB GLU 121 2HB GLU 121 12.453 6.314 11.187 859 2HB GLU 121 3HB GLU 121 11.847 6.370 12.830 860 1HG GLU 121 2HG GLU 121 12.252 3.875 13.015 861 2HG GLU 121 3HG GLU 121 12.962 3.903 11.413 862 H LYS 122 HN LYS 122 9.431 7.514 12.228 863 HA LYS 122 HA LYS 122 7.441 6.175 13.843 864 1HB LYS 122 2HB LYS 122 9.664 6.616 15.187 865 2HB LYS 122 3HB LYS 122 9.084 8.269 15.235 866 1HG LYS 122 2HG LYS 122 6.897 6.432 15.843 867 2HG LYS 122 3HG LYS 122 8.263 6.097 16.889 868 1HD LYS 122 2HD LYS 122 7.472 8.981 16.480 869 2HD LYS 122 3HD LYS 122 6.450 7.988 17.499 870 1HE LYS 122 2HE LYS 122 8.320 7.446 18.979 871 2HE LYS 122 3HE LYS 122 9.472 8.186 17.884 872 1HZ LYS 122 1HZ LYS 122 8.821 9.605 19.749 873 2HZ LYS 122 2HZ LYS 122 8.505 10.298 18.305 874 3HZ LYS 122 3HZ LYS 122 7.289 9.658 19.187 875 H ALA 123 HN ALA 123 5.712 7.687 14.523 876 HA ALA 123 HA ALA 123 5.063 9.438 12.430 877 1HB ALA 123 1HB ALA 123 3.915 9.171 15.239 878 2HB ALA 123 2HB ALA 123 3.129 9.988 13.867 879 3HB ALA 123 3HB ALA 123 3.414 8.232 13.812 880 H ASP 124 HN ASP 124 4.008 11.732 13.728 881 HA ASP 124 HA ASP 124 6.517 13.026 14.442 882 1HB ASP 124 2HB ASP 124 5.565 13.981 12.429 883 2HB ASP 124 3HB ASP 124 3.962 14.045 13.135 884 H ASP 125 HN ASP 125 3.083 14.124 14.783 885 HA ASP 125 HA ASP 125 2.376 13.464 17.201 886 1HB ASP 125 2HB ASP 125 4.675 15.354 17.388 887 2HB ASP 125 3HB ASP 125 3.300 15.793 18.382 888 H LEU 126 HN LEU 126 1.236 14.405 14.809 889 HA LEU 126 HA LEU 126 -0.049 15.962 13.854 890 1HB LEU 126 2HB LEU 126 -1.002 15.827 16.702 891 2HB LEU 126 3HB LEU 126 -1.824 16.819 15.514 892 HG LEU 126 HG LEU 126 -1.364 13.840 15.211 893 1HD1 LEU 126 1HD1 LEU 126 -4.117 14.722 15.649 894 2HD1 LEU 126 2HD1 LEU 126 -3.204 13.383 16.386 895 3HD1 LEU 126 3HD1 LEU 126 -3.052 15.031 17.041 896 1HD2 LEU 126 1HD2 LEU 126 -1.617 14.893 13.071 897 2HD2 LEU 126 2HD2 LEU 126 -3.131 14.044 13.464 898 3HD2 LEU 126 3HD2 LEU 126 -3.033 15.814 13.633 899 H GLY 127 HN GLY 127 2.598 16.925 14.852 900 1HA GLY 127 1HA GLY 127 3.401 19.087 14.344 901 2HA GLY 127 2HA GLY 127 1.902 19.785 14.927 902 H LYS 128 HN LYS 128 5.079 19.618 15.668 903 HA LYS 128 HA LYS 128 4.641 19.275 18.543 904 1HB LYS 128 2HB LYS 128 6.712 18.413 18.690 905 2HB LYS 128 3HB LYS 128 6.528 18.129 16.971 906 1HG LYS 128 2HG LYS 128 7.475 20.571 16.693 907 2HG LYS 128 3HG LYS 128 8.007 20.393 18.354 908 1HD LYS 128 2HD LYS 128 9.162 18.217 17.658 909 2HD LYS 128 3HD LYS 128 8.768 18.609 15.996 910 1HE LYS 128 2HE LYS 128 10.213 20.480 15.946 911 2HE LYS 128 3HE LYS 128 10.182 20.684 17.686 912 1HZ LYS 128 1HZ LYS 128 11.266 18.333 17.589 913 2HZ LYS 128 2HZ LYS 128 11.729 18.821 16.101 914 3HZ LYS 128 3HZ LYS 128 12.170 19.683 17.416 915 H GLY 129 HN GLY 129 5.354 21.580 15.973 916 1HA GLY 129 1HA GLY 129 4.723 23.874 16.580 917 2HA GLY 129 2HA GLY 129 5.683 23.681 18.033 918 H GLY 130 HN GLY 130 8.019 22.464 17.213 919 1HA GLY 130 1HA GLY 130 9.572 24.503 16.243 920 2HA GLY 130 2HA GLY 130 9.986 22.802 16.175 921 H ASN 131 HN ASN 131 11.070 23.998 14.133 922 HA ASN 131 HA ASN 131 9.390 23.207 11.935 923 1HB ASN 131 2HB ASN 131 10.817 25.913 11.912 924 2HB ASN 131 3HB ASN 131 9.742 25.285 10.678 925 1HD2 ASN 131 1HD2 ASN 131 9.912 27.500 12.959 926 2HD2 ASN 131 2HD2 ASN 131 8.279 27.591 13.531 927 H GLU 132 HN GLU 132 10.709 22.618 10.044 928 HA GLU 132 HA GLU 132 12.552 22.257 8.887 929 1HB GLU 132 2HB GLU 132 13.513 24.345 10.163 930 2HB GLU 132 3HB GLU 132 14.366 23.166 11.139 931 1HG GLU 132 2HG GLU 132 15.164 22.135 8.878 932 2HG GLU 132 3HG GLU 132 14.596 23.619 8.139 933 H GLN 133 HN GLN 133 11.156 20.488 10.797 934 HA GLN 133 HA GLN 133 13.035 18.391 10.743 935 1HB GLN 133 2HB GLN 133 13.385 19.895 12.972 936 2HB GLN 133 3HB GLN 133 12.097 18.859 13.554 937 1HG GLN 133 2HG GLN 133 13.830 17.441 14.072 938 2HG GLN 133 3HG GLN 133 13.673 16.963 12.393 939 1HE2 GLN 133 1HE2 GLN 133 15.222 17.439 10.940 940 2HE2 GLN 133 2HE2 GLN 133 16.723 18.223 11.304 941 H SER 134 HN SER 134 10.053 19.566 12.465 942 HA SER 134 HA SER 134 8.870 16.976 11.995 943 1HB SER 134 2HB SER 134 6.918 18.224 13.306 944 2HB SER 134 3HB SER 134 8.319 17.604 14.157 945 HG SER 134 HG SER 134 9.232 19.692 14.222 946 H THR 135 HN THR 135 8.926 20.250 10.739 947 HA THR 135 HA THR 135 6.355 20.083 9.455 948 HB THR 135 HB THR 135 7.127 22.285 8.501 949 HG1 THR 135 1HG THR 135 9.318 22.690 8.664 950 1HG2 THR 135 1HG2 THR 135 7.759 23.406 10.753 951 2HG2 THR 135 2HG2 THR 135 6.194 22.560 10.715 952 3HG2 THR 135 3HG2 THR 135 7.605 21.787 11.477 953 H LYS 136 HN LYS 136 9.388 18.656 8.898 954 HA LYS 136 HA LYS 136 8.802 18.498 6.024 955 1HB LYS 136 2HB LYS 136 11.291 17.725 5.992 956 2HB LYS 136 3HB LYS 136 10.907 19.430 6.102 957 1HG LYS 136 2HG LYS 136 11.508 19.572 8.369 958 2HG LYS 136 3HG LYS 136 11.184 17.878 8.675 959 1HD LYS 136 2HD LYS 136 13.478 17.713 8.607 960 2HD LYS 136 3HD LYS 136 13.206 17.590 6.880 961 1HE LYS 136 2HE LYS 136 13.315 20.248 6.956 962 2HE LYS 136 3HE LYS 136 14.135 19.988 8.482 963 1HZ LYS 136 1HZ LYS 136 15.835 19.937 6.989 964 2HZ LYS 136 2HZ LYS 136 15.513 18.340 7.096 965 3HZ LYS 136 3HZ LYS 136 14.977 19.197 5.813 966 H THR 137 HN THR 137 9.542 16.717 9.045 967 HA THR 137 HA THR 137 8.537 14.301 7.707 968 HB THR 137 HB THR 137 10.322 13.031 8.952 969 HG1 THR 137 1HG THR 137 11.317 15.749 9.403 970 1HG2 THR 137 1HG2 THR 137 12.259 13.743 7.641 971 2HG2 THR 137 2HG2 THR 137 10.822 13.939 6.608 972 3HG2 THR 137 3HG2 THR 137 11.555 15.359 7.394 973 H GLY 138 HN GLY 138 9.778 14.284 10.997 974 1HA GLY 138 1HA GLY 138 7.296 14.964 12.248 975 2HA GLY 138 2HA GLY 138 7.523 13.229 12.141 976 H ASN 139 HN ASN 139 10.280 15.489 12.360 977 HA ASN 139 HA ASN 139 11.964 15.464 13.764 978 1HB ASN 139 2HB ASN 139 10.369 17.087 14.824 979 2HB ASN 139 3HB ASN 139 9.671 15.789 15.773 980 1HD2 ASN 139 1HD2 ASN 139 10.508 15.299 17.671 981 2HD2 ASN 139 2HD2 ASN 139 12.009 15.874 18.318 982 H ALA 140 HN ALA 140 10.843 12.762 13.207 983 HA ALA 140 HA ALA 140 11.642 11.447 15.708 984 1HB ALA 140 1HB ALA 140 9.804 10.077 15.696 985 2HB ALA 140 2HB ALA 140 9.073 11.476 14.872 986 3HB ALA 140 3HB ALA 140 9.668 10.094 13.921 987 H GLY 141 HN GLY 141 11.018 10.935 12.159 988 1HA GLY 141 1HA GLY 141 13.711 9.879 11.860 989 2HA GLY 141 2HA GLY 141 12.411 8.731 11.606 990 H SER 142 HN SER 142 12.016 8.455 9.457 991 HA SER 142 HA SER 142 11.035 10.464 7.891 992 1HB SER 142 2HB SER 142 13.216 11.508 7.824 993 2HB SER 142 3HB SER 142 14.013 9.984 7.490 994 HG SER 142 HG SER 142 13.032 11.775 5.718 995 H ARG 143 HN ARG 143 11.148 9.713 5.396 996 HA ARG 143 HA ARG 143 9.911 7.414 5.127 997 1HB ARG 143 2HB ARG 143 12.047 8.257 3.114 998 2HB ARG 143 3HB ARG 143 10.544 7.423 2.772 999 1HG ARG 143 2HG ARG 143 9.617 9.690 4.066 1000 2HG ARG 143 3HG ARG 143 11.033 10.320 3.250 1001 1HD ARG 143 2HD ARG 143 9.769 10.459 1.364 1002 2HD ARG 143 3HD ARG 143 9.816 8.709 1.289 1003 HE ARG 143 HE ARG 143 7.545 8.747 1.785 1004 1HH1 ARG 143 2HH2 ARG 143 9.056 11.521 3.336 1005 2HH1 ARG 143 1HH2 ARG 143 7.578 12.099 4.030 1006 1HH2 ARG 143 2HH1 ARG 143 5.595 9.510 2.700 1007 2HH2 ARG 143 1HH1 ARG 143 5.596 10.947 3.666 1008 H LEU 144 HN LEU 144 10.360 5.188 5.085 1009 HA LEU 144 HA LEU 144 13.135 4.355 4.937 1010 1HB LEU 144 2HB LEU 144 11.402 4.101 7.361 1011 2HB LEU 144 3HB LEU 144 12.529 2.814 6.979 1012 HG LEU 144 HG LEU 144 13.322 5.718 7.325 1013 1HD1 LEU 144 1HD1 LEU 144 12.651 5.175 9.466 1014 2HD1 LEU 144 2HD1 LEU 144 13.110 3.463 9.296 1015 3HD1 LEU 144 3HD1 LEU 144 14.369 4.707 9.491 1016 1HD2 LEU 144 1HD2 LEU 144 15.355 5.152 6.637 1017 2HD2 LEU 144 2HD2 LEU 144 15.411 3.769 7.756 1018 3HD2 LEU 144 3HD2 LEU 144 14.692 3.577 6.139 1019 H ALA 145 HN ALA 145 10.861 4.260 3.109 1020 HA ALA 145 HA ALA 145 11.022 1.559 2.393 1021 1HB ALA 145 1HB ALA 145 9.049 0.619 3.115 1022 2HB ALA 145 2HB ALA 145 9.334 1.735 4.472 1023 3HB ALA 145 3HB ALA 145 8.199 2.182 3.176 1024 H CYS 146 HN CYS 146 9.737 1.139 0.384 1025 HA CYS 146 HA CYS 146 8.457 3.425 -0.783 1026 1HB CYS 146 2HB CYS 146 10.801 2.337 -2.313 1027 2HB CYS 146 3HB CYS 146 9.894 3.812 -2.581 1028 H GLY 147 HN GLY 147 6.922 1.462 -0.293 1029 1HA GLY 147 1HA GLY 147 7.181 -0.858 -1.953 1030 2HA GLY 147 2HA GLY 147 5.818 -0.402 -0.951 1031 H VAL 148 HN VAL 148 7.529 0.812 -3.929 1032 HA VAL 148 HA VAL 148 5.393 2.200 -4.977 1033 HB VAL 148 HB VAL 148 7.767 0.804 -6.196 1034 1HG1 VAL 148 1HG1 VAL 148 6.938 2.611 -8.109 1035 2HG1 VAL 148 2HG1 VAL 148 6.709 0.847 -8.178 1036 3HG1 VAL 148 3HG1 VAL 148 5.405 1.891 -7.563 1037 1HG2 VAL 148 1HG2 VAL 148 7.160 3.765 -5.980 1038 2HG2 VAL 148 2HG2 VAL 148 8.028 2.852 -4.722 1039 3HG2 VAL 148 3HG2 VAL 148 8.713 2.983 -6.360 1040 H ILE 149 HN ILE 149 3.506 1.660 -5.990 1041 HA ILE 149 HA ILE 149 2.936 -1.182 -6.173 1042 HB ILE 149 HB ILE 149 1.289 1.326 -6.157 1043 1HG1 ILE 149 2HG1 ILE 149 0.246 -0.615 -4.432 1044 2HG1 ILE 149 3HG1 ILE 149 1.983 -0.783 -4.272 1045 1HG2 ILE 149 1HG2 ILE 149 0.175 -1.429 -6.723 1046 2HG2 ILE 149 2HG2 ILE 149 -0.697 0.122 -6.683 1047 3HG2 ILE 149 3HG2 ILE 149 0.479 -0.205 -7.978 1048 1HD1 ILE 149 1HD1 ILE 149 0.551 1.055 -2.882 1049 2HD1 ILE 149 2HD1 ILE 149 2.249 1.314 -3.347 1050 3HD1 ILE 149 3HD1 ILE 149 0.941 2.025 -4.323 1051 H GLY 150 HN GLY 150 3.650 -2.142 -8.012 1052 1HA GLY 150 1HA GLY 150 3.080 -0.726 -10.548 1053 2HA GLY 150 2HA GLY 150 4.564 -1.614 -10.264 1054 H ILE 151 HN ILE 151 2.651 -2.156 -12.388 1055 HA ILE 151 HA ILE 151 0.789 -4.056 -11.969 1056 HB ILE 151 HB ILE 151 2.816 -3.828 -14.191 1057 1HG1 ILE 151 2HG1 ILE 151 1.175 -1.918 -13.643 1058 2HG1 ILE 151 3HG1 ILE 151 1.294 -2.471 -15.302 1059 1HG2 ILE 151 1HG2 ILE 151 2.067 -6.038 -14.394 1060 2HG2 ILE 151 2HG2 ILE 151 0.405 -5.618 -13.915 1061 3HG2 ILE 151 3HG2 ILE 151 1.029 -5.109 -15.502 1062 1HD1 ILE 151 1HD1 ILE 151 -0.711 -3.917 -14.975 1063 2HD1 ILE 151 2HD1 ILE 151 -0.833 -3.347 -13.294 1064 3HD1 ILE 151 3HD1 ILE 151 -1.073 -2.207 -14.639 1065 H ALA 152 HN ALA 152 0.737 -6.391 -11.950 1066 HA ALA 152 HA ALA 152 3.231 -7.778 -11.571 1067 1HB ALA 152 1HB ALA 152 1.385 -8.257 -9.310 1068 2HB ALA 152 2HB ALA 152 3.157 -8.090 -9.325 1069 3HB ALA 152 3HB ALA 152 2.127 -6.638 -9.321 1070 H GLN 153 HN GLN 153 2.794 -10.190 -11.302 1071 HA GLN 153 HA GLN 153 1.974 -11.919 -12.394 1072 1HB GLN 153 2HB GLN 153 -0.178 -12.680 -11.501 1073 2HB GLN 153 3HB GLN 153 0.750 -11.912 -10.229 1074 1HG GLN 153 2HG GLN 153 -0.599 -9.957 -10.238 1075 2HG GLN 153 3HG GLN 153 -1.201 -10.258 -11.856 1076 1HE2 GLN 153 1HE2 GLN 153 -3.332 -10.168 -11.344 1077 2HE2 GLN 153 2HE2 GLN 153 -4.165 -11.351 -10.391 Start of MODEL 18 1 1H ALA 1 HN ALA 1 -10.369 -7.028 -11.482 2 HA ALA 1 HA ALA 1 -9.192 -8.179 -13.180 3 1HB ALA 1 1HB ALA 1 -10.265 -6.783 -14.581 4 2HB ALA 1 2HB ALA 1 -10.065 -5.412 -13.464 5 3HB ALA 1 3HB ALA 1 -8.780 -5.804 -14.631 6 H THR 2 HN THR 2 -7.462 -4.999 -12.873 7 HA THR 2 HA THR 2 -4.967 -6.426 -13.380 8 HB THR 2 HB THR 2 -5.296 -3.420 -13.114 9 HG1 THR 2 1HG THR 2 -6.241 -3.491 -15.227 10 1HG2 THR 2 1HG2 THR 2 -3.561 -3.334 -14.736 11 2HG2 THR 2 2HG2 THR 2 -3.083 -4.733 -13.745 12 3HG2 THR 2 3HG2 THR 2 -3.894 -4.986 -15.309 13 H LYS 3 HN LYS 3 -4.148 -7.387 -11.601 14 HA LYS 3 HA LYS 3 -4.379 -6.019 -9.063 15 1HB LYS 3 2HB LYS 3 -4.734 -8.523 -9.445 16 2HB LYS 3 3HB LYS 3 -2.996 -8.649 -9.630 17 1HG LYS 3 2HG LYS 3 -2.982 -7.258 -7.335 18 2HG LYS 3 3HG LYS 3 -4.597 -7.919 -7.174 19 1HD LYS 3 2HD LYS 3 -3.803 -9.991 -6.667 20 2HD LYS 3 3HD LYS 3 -2.713 -9.992 -8.038 21 1HE LYS 3 2HE LYS 3 -1.324 -8.270 -6.521 22 2HE LYS 3 3HE LYS 3 -2.212 -9.032 -5.217 23 1HZ LYS 3 1HZ LYS 3 -1.403 -11.130 -6.646 24 2HZ LYS 3 2HZ LYS 3 -0.145 -10.112 -6.863 25 3HZ LYS 3 3HZ LYS 3 -0.602 -10.534 -5.353 26 H ALA 4 HN ALA 4 -2.609 -5.264 -7.813 27 HA ALA 4 HA ALA 4 -0.088 -5.063 -9.305 28 1HB ALA 4 1HB ALA 4 -0.268 -2.826 -9.365 29 2HB ALA 4 2HB ALA 4 -1.911 -2.966 -8.695 30 3HB ALA 4 3HB ALA 4 -0.519 -2.771 -7.603 31 H VAL 5 HN VAL 5 1.764 -4.423 -7.740 32 HA VAL 5 HA VAL 5 1.261 -5.422 -5.046 33 HB VAL 5 HB VAL 5 3.664 -6.393 -6.545 34 1HG1 VAL 5 1HG1 VAL 5 3.952 -7.783 -4.784 35 2HG1 VAL 5 2HG1 VAL 5 2.904 -6.616 -3.942 36 3HG1 VAL 5 3HG1 VAL 5 2.210 -8.109 -4.619 37 1HG2 VAL 5 1HG2 VAL 5 0.951 -7.758 -6.603 38 2HG2 VAL 5 2HG2 VAL 5 1.744 -6.964 -7.985 39 3HG2 VAL 5 3HG2 VAL 5 2.475 -8.410 -7.249 40 H ALA 6 HN ALA 6 2.894 -4.716 -3.496 41 HA ALA 6 HA ALA 6 4.912 -2.893 -4.430 42 1HB ALA 6 1HB ALA 6 3.543 -1.088 -4.341 43 2HB ALA 6 2HB ALA 6 2.291 -1.967 -3.431 44 3HB ALA 6 3HB ALA 6 3.683 -1.261 -2.575 45 H VAL 7 HN VAL 7 6.231 -4.555 -3.435 46 HA VAL 7 HA VAL 7 5.842 -5.014 -0.609 47 HB VAL 7 HB VAL 7 7.547 -6.646 -0.838 48 1HG1 VAL 7 1HG1 VAL 7 5.202 -6.840 -2.117 49 2HG1 VAL 7 2HG1 VAL 7 6.286 -6.996 -3.520 50 3HG1 VAL 7 3HG1 VAL 7 6.424 -8.133 -2.158 51 1HG2 VAL 7 1HG2 VAL 7 9.340 -5.898 -2.020 52 2HG2 VAL 7 2HG2 VAL 7 8.550 -6.802 -3.334 53 3HG2 VAL 7 3HG2 VAL 7 8.338 -5.038 -3.214 54 H LEU 8 HN LEU 8 6.386 -3.326 0.701 55 HA LEU 8 HA LEU 8 8.114 -1.296 0.101 56 1HB LEU 8 2HB LEU 8 7.882 -2.301 2.908 57 2HB LEU 8 3HB LEU 8 7.926 -0.654 2.310 58 HG LEU 8 HG LEU 8 5.617 -2.585 2.357 59 1HD1 LEU 8 1HD1 LEU 8 5.995 0.264 3.315 60 2HD1 LEU 8 2HD1 LEU 8 4.467 -0.645 3.392 61 3HD1 LEU 8 3HD1 LEU 8 5.883 -1.204 4.315 62 1HD2 LEU 8 1HD2 LEU 8 5.190 -1.919 0.228 63 2HD2 LEU 8 2HD2 LEU 8 4.474 -0.534 1.086 64 3HD2 LEU 8 3HD2 LEU 8 6.108 -0.403 0.393 65 H LYS 9 HN LYS 9 10.301 -0.996 0.044 66 HA LYS 9 HA LYS 9 12.069 -2.677 1.487 67 1HB LYS 9 2HB LYS 9 11.229 -4.024 -0.631 68 2HB LYS 9 3HB LYS 9 12.397 -3.026 -1.473 69 1HG LYS 9 2HG LYS 9 14.080 -3.724 0.393 70 2HG LYS 9 3HG LYS 9 12.908 -4.953 0.826 71 1HD LYS 9 2HD LYS 9 13.529 -4.800 -2.088 72 2HD LYS 9 3HD LYS 9 14.880 -5.277 -1.078 73 1HE LYS 9 2HE LYS 9 12.723 -6.769 -0.047 74 2HE LYS 9 3HE LYS 9 12.450 -6.790 -1.778 75 1HZ LYS 9 1HZ LYS 9 14.356 -8.193 -0.330 76 2HZ LYS 9 2HZ LYS 9 14.058 -8.261 -1.934 77 3HZ LYS 9 3HZ LYS 9 15.151 -7.197 -1.351 78 H GLY 10 HN GLY 10 13.392 -1.099 2.210 79 1HA GLY 10 1HA GLY 10 14.981 0.398 0.388 80 2HA GLY 10 2HA GLY 10 13.719 1.400 1.074 81 H ASP 11 HN ASP 11 13.525 1.500 3.499 82 HA ASP 11 HA ASP 11 15.759 2.283 4.688 83 1HB ASP 11 2HB ASP 11 13.282 2.234 5.527 84 2HB ASP 11 3HB ASP 11 13.683 0.679 6.230 85 H GLY 12 HN GLY 12 14.253 -1.022 5.070 86 1HA GLY 12 1HA GLY 12 16.295 -2.677 4.676 87 2HA GLY 12 2HA GLY 12 16.701 -2.054 6.263 88 HA PRO 13 HA PRO 13 13.680 -4.590 8.084 89 1HB PRO 13 2HB PRO 13 12.450 -3.063 9.988 90 2HB PRO 13 3HB PRO 13 14.039 -3.770 10.206 91 1HG PRO 13 2HG PRO 13 13.322 -0.957 9.648 92 2HG PRO 13 3HG PRO 13 14.824 -1.603 10.280 93 1HD PRO 13 2HD PRO 13 14.337 -0.698 7.602 94 2HD PRO 13 3HD PRO 13 15.801 -1.451 8.205 95 H VAL 14 HN VAL 14 12.188 -1.485 7.353 96 HA VAL 14 HA VAL 14 9.580 -2.400 7.285 97 HB VAL 14 HB VAL 14 10.931 -0.229 5.669 98 1HG1 VAL 14 1HG1 VAL 14 8.747 0.755 5.374 99 2HG1 VAL 14 2HG1 VAL 14 8.697 -0.925 4.788 100 3HG1 VAL 14 3HG1 VAL 14 7.991 -0.513 6.369 101 1HG2 VAL 14 1HG2 VAL 14 11.165 0.844 7.610 102 2HG2 VAL 14 2HG2 VAL 14 9.394 0.844 7.786 103 3HG2 VAL 14 3HG2 VAL 14 10.358 -0.479 8.485 104 H GLN 15 HN GLN 15 9.447 -4.487 6.347 105 HA GLN 15 HA GLN 15 9.933 -4.461 3.469 106 1HB GLN 15 2HB GLN 15 11.414 -6.013 4.811 107 2HB GLN 15 3HB GLN 15 9.982 -6.884 5.321 108 1HG GLN 15 2HG GLN 15 9.537 -6.910 2.641 109 2HG GLN 15 3HG GLN 15 11.285 -6.784 2.614 110 1HE2 GLN 15 1HE2 GLN 15 8.824 -8.466 4.575 111 2HE2 GLN 15 2HE2 GLN 15 9.541 -10.042 4.520 112 H GLY 16 HN GLY 16 7.549 -3.384 4.417 113 1HA GLY 16 1HA GLY 16 5.441 -5.145 4.862 114 2HA GLY 16 2HA GLY 16 5.321 -3.537 4.178 115 H ILE 17 HN ILE 17 3.612 -5.637 3.344 116 HA ILE 17 HA ILE 17 4.469 -5.853 0.561 117 HB ILE 17 HB ILE 17 3.545 -8.133 2.306 118 1HG1 ILE 17 2HG1 ILE 17 5.974 -8.075 0.526 119 2HG1 ILE 17 3HG1 ILE 17 6.029 -7.369 2.129 120 1HG2 ILE 17 1HG2 ILE 17 2.442 -8.914 0.533 121 2HG2 ILE 17 2HG2 ILE 17 3.135 -7.682 -0.549 122 3HG2 ILE 17 3HG2 ILE 17 4.039 -9.177 -0.208 123 1HD1 ILE 17 1HD1 ILE 17 4.739 -9.886 2.453 124 2HD1 ILE 17 2HD1 ILE 17 6.123 -10.172 1.371 125 3HD1 ILE 17 3HD1 ILE 17 6.382 -9.439 2.972 126 H ILE 18 HN ILE 18 3.030 -4.279 -0.135 127 HA ILE 18 HA ILE 18 0.214 -4.799 0.516 128 HB ILE 18 HB ILE 18 0.908 -2.693 1.379 129 1HG1 ILE 18 2HG1 ILE 18 -1.286 -3.002 -0.047 130 2HG1 ILE 18 3HG1 ILE 18 -0.830 -1.436 0.592 131 1HG2 ILE 18 1HG2 ILE 18 2.284 -2.411 -1.253 132 2HG2 ILE 18 2HG2 ILE 18 1.659 -0.941 -0.468 133 3HG2 ILE 18 3HG2 ILE 18 2.829 -1.977 0.384 134 1HD1 ILE 18 1HD1 ILE 18 0.067 -2.322 -2.174 135 2HD1 ILE 18 2HD1 ILE 18 -1.512 -1.546 -1.906 136 3HD1 ILE 18 3HD1 ILE 18 -0.013 -0.671 -1.515 137 H ASN 19 HN ASN 19 -1.356 -4.528 -1.234 138 HA ASN 19 HA ASN 19 -0.121 -4.716 -3.857 139 1HB ASN 19 2HB ASN 19 -2.577 -6.375 -3.386 140 2HB ASN 19 3HB ASN 19 -1.185 -6.722 -4.393 141 1HD2 ASN 19 1HD2 ASN 19 -2.684 -8.218 -2.256 142 2HD2 ASN 19 2HD2 ASN 19 -1.481 -8.792 -1.150 143 H PHE 20 HN PHE 20 -2.106 -4.605 -5.585 144 HA PHE 20 HA PHE 20 -4.235 -2.911 -4.536 145 1HB PHE 20 2HB PHE 20 -1.973 -2.253 -6.394 146 2HB PHE 20 3HB PHE 20 -3.544 -1.790 -7.018 147 HD1 PHE 20 1HD PHE 20 -4.378 0.291 -6.464 148 HD2 PHE 20 2HD PHE 20 -1.519 -1.506 -3.894 149 HE1 PHE 20 1HE PHE 20 -4.316 2.380 -5.073 150 HE2 PHE 20 2HE PHE 20 -1.457 0.583 -2.503 151 HZ PHE 20 HZ PHE 20 -2.855 2.501 -3.109 152 H GLU 21 HN GLU 21 -6.104 -3.899 -5.126 153 HA GLU 21 HA GLU 21 -6.091 -5.185 -7.746 154 1HB GLU 21 2HB GLU 21 -6.309 -6.721 -5.729 155 2HB GLU 21 3HB GLU 21 -7.831 -5.936 -5.358 156 1HG GLU 21 2HG GLU 21 -8.867 -6.722 -7.371 157 2HG GLU 21 3HG GLU 21 -7.329 -7.112 -8.116 158 H GLN 22 HN GLN 22 -7.905 -4.841 -9.129 159 HA GLN 22 HA GLN 22 -9.915 -3.024 -8.098 160 1HB GLN 22 2HB GLN 22 -8.127 -1.669 -9.245 161 2HB GLN 22 3HB GLN 22 -8.433 -2.559 -10.724 162 1HG GLN 22 2HG GLN 22 -10.924 -1.821 -10.432 163 2HG GLN 22 3HG GLN 22 -10.315 -0.673 -9.255 164 1HE2 GLN 22 1HE2 GLN 22 -10.300 1.248 -10.136 165 2HE2 GLN 22 2HE2 GLN 22 -9.672 1.684 -11.690 166 H LYS 23 HN LYS 23 -11.524 -4.625 -8.164 167 HA LYS 23 HA LYS 23 -11.806 -6.211 -10.556 168 1HB LYS 23 2HB LYS 23 -12.463 -6.504 -7.823 169 2HB LYS 23 3HB LYS 23 -13.991 -6.449 -8.677 170 1HG LYS 23 2HG LYS 23 -12.597 -8.090 -10.362 171 2HG LYS 23 3HG LYS 23 -11.785 -8.469 -8.857 172 1HD LYS 23 2HD LYS 23 -14.513 -8.447 -8.153 173 2HD LYS 23 3HD LYS 23 -14.502 -9.184 -9.742 174 1HE LYS 23 2HE LYS 23 -12.359 -10.471 -8.575 175 2HE LYS 23 3HE LYS 23 -13.376 -10.204 -7.173 176 1HZ LYS 23 1HZ LYS 23 -14.574 -11.256 -9.608 177 2HZ LYS 23 2HZ LYS 23 -13.732 -12.262 -8.636 178 3HZ LYS 23 3HZ LYS 23 -15.037 -11.470 -8.057 179 H GLU 24 HN GLU 24 -11.921 -3.711 -11.478 180 HA GLU 24 HA GLU 24 -14.660 -3.540 -12.275 181 1HB GLU 24 2HB GLU 24 -14.463 -2.121 -10.160 182 2HB GLU 24 3HB GLU 24 -13.356 -1.081 -11.035 183 1HG GLU 24 2HG GLU 24 -15.118 0.027 -11.927 184 2HG GLU 24 3HG GLU 24 -15.613 -1.439 -12.749 185 H SER 25 HN SER 25 -11.351 -2.083 -12.308 186 HA SER 25 HA SER 25 -10.037 -1.770 -14.057 187 1HB SER 25 2HB SER 25 -10.523 -2.563 -16.153 188 2HB SER 25 3HB SER 25 -11.850 -3.339 -15.312 189 HG SER 25 HG SER 25 -11.887 -1.243 -17.174 190 H ASN 26 HN ASN 26 -12.951 -0.150 -13.245 191 HA ASN 26 HA ASN 26 -11.778 2.331 -14.021 192 1HB ASN 26 2HB ASN 26 -14.084 3.026 -15.088 193 2HB ASN 26 3HB ASN 26 -12.959 2.109 -16.070 194 1HD2 ASN 26 1HD2 ASN 26 -13.532 0.212 -16.881 195 2HD2 ASN 26 2HD2 ASN 26 -14.992 -0.653 -16.532 196 H GLY 27 HN GLY 27 -12.664 0.704 -11.599 197 1HA GLY 27 1HA GLY 27 -14.599 2.647 -10.488 198 2HA GLY 27 2HA GLY 27 -14.692 0.927 -10.165 199 HA PRO 28 HA PRO 28 -12.154 2.439 -6.812 200 1HB PRO 28 2HB PRO 28 -13.154 0.776 -4.888 201 2HB PRO 28 3HB PRO 28 -13.810 2.367 -5.214 202 1HG PRO 28 2HG PRO 28 -14.917 -0.277 -5.936 203 2HG PRO 28 3HG PRO 28 -15.732 1.272 -5.868 204 1HD PRO 28 2HD PRO 28 -14.862 -0.106 -8.228 205 2HD PRO 28 3HD PRO 28 -15.572 1.494 -8.151 206 H VAL 29 HN VAL 29 -10.356 1.618 -5.589 207 HA VAL 29 HA VAL 29 -9.556 -0.981 -6.705 208 HB VAL 29 HB VAL 29 -7.902 1.433 -5.946 209 1HG1 VAL 29 1HG1 VAL 29 -6.176 0.055 -5.638 210 2HG1 VAL 29 2HG1 VAL 29 -7.179 -1.357 -6.050 211 3HG1 VAL 29 3HG1 VAL 29 -6.329 -0.463 -7.334 212 1HG2 VAL 29 1HG2 VAL 29 -7.252 1.285 -8.401 213 2HG2 VAL 29 2HG2 VAL 29 -8.612 0.153 -8.598 214 3HG2 VAL 29 3HG2 VAL 29 -8.914 1.823 -8.060 215 H LYS 30 HN LYS 30 -9.484 -2.602 -5.245 216 HA LYS 30 HA LYS 30 -9.792 -2.003 -2.474 217 1HB LYS 30 2HB LYS 30 -9.993 -4.324 -4.237 218 2HB LYS 30 3HB LYS 30 -9.209 -4.718 -2.721 219 1HG LYS 30 2HG LYS 30 -11.196 -3.289 -1.661 220 2HG LYS 30 3HG LYS 30 -11.992 -3.624 -3.185 221 1HD LYS 30 2HD LYS 30 -10.939 -6.122 -2.455 222 2HD LYS 30 3HD LYS 30 -11.441 -5.439 -0.921 223 1HE LYS 30 2HE LYS 30 -13.676 -4.832 -2.174 224 2HE LYS 30 3HE LYS 30 -13.141 -5.987 -3.379 225 1HZ LYS 30 1HZ LYS 30 -13.653 -6.499 -0.540 226 2HZ LYS 30 2HZ LYS 30 -14.413 -7.154 -1.828 227 3HZ LYS 30 3HZ LYS 30 -12.870 -7.569 -1.493 228 H VAL 31 HN VAL 31 -8.021 -0.880 -1.668 229 HA VAL 31 HA VAL 31 -5.384 -1.977 -2.182 230 HB VAL 31 HB VAL 31 -6.228 0.443 -0.578 231 1HG1 VAL 31 1HG1 VAL 31 -3.637 -0.796 -1.244 232 2HG1 VAL 31 2HG1 VAL 31 -3.727 0.949 -1.584 233 3HG1 VAL 31 3HG1 VAL 31 -4.069 0.342 0.054 234 1HG2 VAL 31 1HG2 VAL 31 -6.039 -0.006 -3.491 235 2HG2 VAL 31 2HG2 VAL 31 -6.907 1.248 -2.573 236 3HG2 VAL 31 3HG2 VAL 31 -5.166 1.428 -2.899 237 H TRP 32 HN TRP 32 -4.177 -3.130 -0.714 238 HA TRP 32 HA TRP 32 -4.777 -3.088 2.063 239 1HB TRP 32 2HB TRP 32 -5.835 -5.061 2.430 240 2HB TRP 32 3HB TRP 32 -6.592 -4.580 0.924 241 HD1 TRP 32 HD1 TRP 32 -4.134 -7.196 2.309 242 HE1 TRP 32 HE1 TRP 32 -3.760 -9.166 0.594 243 HE3 TRP 32 HE3 TRP 32 -6.646 -5.022 -1.540 244 HZ2 TRP 32 HZ2 TRP 32 -4.539 -9.585 -2.119 245 HZ3 TRP 32 HZ3 TRP 32 -6.793 -6.279 -3.688 246 HH2 TRP 32 HH2 TRP 32 -5.790 -8.484 -4.012 247 H GLY 33 HN GLY 33 -2.970 -3.882 3.206 248 1HA GLY 33 1HA GLY 33 -1.018 -5.545 1.876 249 2HA GLY 33 2HA GLY 33 -0.507 -3.883 2.098 250 H SER 34 HN SER 34 1.183 -5.021 3.494 251 HA SER 34 HA SER 34 0.314 -4.799 6.196 252 1HB SER 34 2HB SER 34 1.178 -7.473 5.041 253 2HB SER 34 3HB SER 34 1.385 -7.114 6.743 254 HG SER 34 HG SER 34 -1.025 -7.446 5.239 255 H ILE 35 HN ILE 35 1.942 -3.674 7.200 256 HA ILE 35 HA ILE 35 4.514 -3.563 5.894 257 HB ILE 35 HB ILE 35 2.926 -1.897 7.643 258 1HG1 ILE 35 2HG1 ILE 35 5.434 -1.036 6.236 259 2HG1 ILE 35 3HG1 ILE 35 4.054 -1.548 5.284 260 1HG2 ILE 35 1HG2 ILE 35 5.866 -2.098 8.348 261 2HG2 ILE 35 2HG2 ILE 35 4.669 -0.968 9.025 262 3HG2 ILE 35 3HG2 ILE 35 4.530 -2.712 9.351 263 1HD1 ILE 35 1HD1 ILE 35 2.664 0.076 6.800 264 2HD1 ILE 35 2HD1 ILE 35 4.246 0.768 7.233 265 3HD1 ILE 35 3HD1 ILE 35 3.704 0.777 5.538 266 H LYS 36 HN LYS 36 6.535 -3.663 7.350 267 HA LYS 36 HA LYS 36 6.299 -5.379 9.634 268 1HB LYS 36 2HB LYS 36 7.390 -6.430 7.021 269 2HB LYS 36 3HB LYS 36 7.901 -7.085 8.564 270 1HG LYS 36 2HG LYS 36 5.208 -7.120 8.966 271 2HG LYS 36 3HG LYS 36 5.222 -7.256 7.219 272 1HD LYS 36 2HD LYS 36 7.222 -9.058 8.014 273 2HD LYS 36 3HD LYS 36 6.002 -9.244 9.258 274 1HE LYS 36 2HE LYS 36 4.707 -9.094 6.652 275 2HE LYS 36 3HE LYS 36 5.964 -10.313 6.606 276 1HZ LYS 36 1HZ LYS 36 4.697 -10.654 9.000 277 2HZ LYS 36 2HZ LYS 36 3.491 -10.393 7.930 278 3HZ LYS 36 3HZ LYS 36 4.558 -11.603 7.678 279 H GLY 37 HN GLY 37 7.514 -4.173 10.998 280 1HA GLY 37 1HA GLY 37 10.115 -4.018 11.214 281 2HA GLY 37 2HA GLY 37 9.898 -2.833 9.942 282 H LEU 38 HN LEU 38 7.583 -1.481 10.576 283 HA LEU 38 HA LEU 38 8.418 0.275 12.541 284 1HB LEU 38 2HB LEU 38 5.688 -0.242 11.361 285 2HB LEU 38 3HB LEU 38 6.052 1.104 12.423 286 HG LEU 38 HG LEU 38 8.007 1.309 10.462 287 1HD1 LEU 38 1HD1 LEU 38 6.585 -0.473 9.247 288 2HD1 LEU 38 2HD1 LEU 38 5.436 0.856 8.964 289 3HD1 LEU 38 3HD1 LEU 38 7.101 0.973 8.346 290 1HD2 LEU 38 1HD2 LEU 38 6.576 3.069 11.603 291 2HD2 LEU 38 2HD2 LEU 38 6.951 3.339 9.884 292 3HD2 LEU 38 3HD2 LEU 38 5.346 2.736 10.361 293 H THR 39 HN THR 39 6.125 0.692 14.204 294 HA THR 39 HA THR 39 5.822 -1.782 15.705 295 HB THR 39 HB THR 39 6.627 -0.604 17.795 296 HG1 THR 39 1HG THR 39 7.860 1.421 17.221 297 1HG2 THR 39 1HG2 THR 39 8.792 -0.348 15.665 298 2HG2 THR 39 2HG2 THR 39 8.977 -0.803 17.376 299 3HG2 THR 39 3HG2 THR 39 8.245 -1.947 16.225 300 H GLU 40 HN GLU 40 4.041 -1.774 17.165 301 HA GLU 40 HA GLU 40 1.797 -0.723 16.277 302 1HB GLU 40 2HB GLU 40 0.837 -1.054 18.500 303 2HB GLU 40 3HB GLU 40 2.001 -2.323 18.180 304 1HG GLU 40 2HG GLU 40 2.974 -1.764 20.157 305 2HG GLU 40 3HG GLU 40 3.581 -0.334 19.346 306 H GLY 41 HN GLY 41 1.030 1.299 15.856 307 1HA GLY 41 1HA GLY 41 0.672 3.386 17.457 308 2HA GLY 41 2HA GLY 41 2.370 3.584 17.071 309 H LEU 42 HN LEU 42 0.956 5.656 16.233 310 HA LEU 42 HA LEU 42 -0.158 5.195 13.621 311 1HB LEU 42 2HB LEU 42 0.101 7.487 15.507 312 2HB LEU 42 3HB LEU 42 -0.109 7.845 13.805 313 HG LEU 42 HG LEU 42 -2.146 6.241 13.930 314 1HD1 LEU 42 1HD1 LEU 42 -1.417 5.475 16.277 315 2HD1 LEU 42 2HD1 LEU 42 -2.134 7.002 16.845 316 3HD1 LEU 42 3HD1 LEU 42 -3.143 5.807 15.995 317 1HD2 LEU 42 1HD2 LEU 42 -1.826 9.005 14.211 318 2HD2 LEU 42 2HD2 LEU 42 -3.310 8.126 13.771 319 3HD2 LEU 42 3HD2 LEU 42 -2.993 8.541 15.473 320 H HIS 43 HN HIS 43 0.808 5.560 11.650 321 HA HIS 43 HA HIS 43 3.621 6.361 11.807 322 1HB HIS 43 2HB HIS 43 2.295 4.644 9.692 323 2HB HIS 43 3HB HIS 43 4.004 5.011 9.827 324 HD1 HIS 43 HD1 HIS 43 4.791 4.334 12.606 325 HD2 HIS 43 HD2 HIS 43 1.917 2.088 10.536 326 HE1 HIS 43 HE1 HIS 43 4.717 2.050 13.740 327 H GLY 44 HN GLY 44 4.395 7.349 9.597 328 1HA GLY 44 1HA GLY 44 2.794 9.677 9.149 329 2HA GLY 44 2HA GLY 44 4.313 9.257 8.384 330 H PHE 45 HN PHE 45 2.698 10.367 6.633 331 HA PHE 45 HA PHE 45 0.918 8.431 5.459 332 1HB PHE 45 2HB PHE 45 1.897 11.275 4.850 333 2HB PHE 45 3HB PHE 45 0.837 10.434 3.736 334 HD1 PHE 45 1HD PHE 45 -1.422 10.830 3.929 335 HD2 PHE 45 2HD PHE 45 1.008 11.233 7.385 336 HE1 PHE 45 1HE PHE 45 -3.416 11.606 5.241 337 HE2 PHE 45 2HE PHE 45 -0.987 12.009 8.696 338 HZ PHE 45 HZ PHE 45 -3.175 12.186 7.609 339 H HIS 46 HN HIS 46 1.100 7.679 3.223 340 HA HIS 46 HA HIS 46 3.791 6.960 2.623 341 1HB HIS 46 2HB HIS 46 2.842 5.584 0.910 342 2HB HIS 46 3HB HIS 46 1.869 5.425 2.358 343 HD1 HIS 46 HD1 HIS 46 1.455 5.730 -1.150 344 HD2 HIS 46 HD2 HIS 46 -0.468 7.456 2.154 345 HE1 HIS 46 HE1 HIS 46 -0.812 6.546 -1.988 346 H VAL 47 HN VAL 47 4.362 7.089 0.074 347 HA VAL 47 HA VAL 47 4.851 8.352 -1.683 348 HB VAL 47 HB VAL 47 2.827 10.387 -0.757 349 1HG1 VAL 47 1HG1 VAL 47 4.554 10.561 -2.814 350 2HG1 VAL 47 2HG1 VAL 47 3.232 9.684 -3.622 351 3HG1 VAL 47 3HG1 VAL 47 2.918 11.260 -2.858 352 1HG2 VAL 47 1HG2 VAL 47 2.406 7.666 -1.952 353 2HG2 VAL 47 2HG2 VAL 47 1.456 8.533 -0.721 354 3HG2 VAL 47 3HG2 VAL 47 1.331 9.001 -2.434 355 H HIS 48 HN HIS 48 6.605 9.686 -1.999 356 HA HIS 48 HA HIS 48 7.085 11.750 -0.018 357 1HB HIS 48 2HB HIS 48 9.313 11.014 0.485 358 2HB HIS 48 3HB HIS 48 8.188 9.722 0.854 359 HD1 HIS 48 HD1 HIS 48 8.333 7.543 -0.556 360 HD2 HIS 48 HD2 HIS 48 11.074 10.506 -1.695 361 HE1 HIS 48 HE1 HIS 48 10.001 6.410 -2.120 362 H GLU 49 HN GLU 49 8.990 13.178 -0.741 363 HA GLU 49 HA GLU 49 9.830 12.973 -3.406 364 1HB GLU 49 2HB GLU 49 7.262 14.145 -3.085 365 2HB GLU 49 3HB GLU 49 8.353 15.488 -3.366 366 1HG GLU 49 2HG GLU 49 9.162 14.508 -5.443 367 2HG GLU 49 3HG GLU 49 8.358 12.987 -5.112 368 H GLU 50 HN GLU 50 11.034 15.117 -4.061 369 HA GLU 50 HA GLU 50 11.632 16.916 -1.997 370 1HB GLU 50 2HB GLU 50 12.939 14.598 -1.530 371 2HB GLU 50 3HB GLU 50 14.076 15.301 -2.664 372 1HG GLU 50 2HG GLU 50 13.236 17.336 -0.758 373 2HG GLU 50 3HG GLU 50 13.774 15.914 0.113 374 H GLU 51 HN GLU 51 13.406 15.276 -4.726 375 HA GLU 51 HA GLU 51 13.244 17.790 -6.155 376 1HB GLU 51 2HB GLU 51 15.577 17.066 -4.828 377 2HB GLU 51 3HB GLU 51 15.871 16.451 -6.443 378 1HG GLU 51 2HG GLU 51 16.247 18.544 -7.229 379 2HG GLU 51 3HG GLU 51 14.677 19.083 -6.666 380 H ASP 52 HN ASP 52 14.175 14.297 -6.148 381 HA ASP 52 HA ASP 52 13.587 14.243 -8.987 382 1HB ASP 52 2HB ASP 52 14.732 12.018 -7.241 383 2HB ASP 52 3HB ASP 52 14.711 12.064 -8.993 384 H ASN 53 HN ASN 53 12.544 11.878 -9.577 385 HA ASN 53 HA ASN 53 10.244 11.662 -7.815 386 1HB ASN 53 2HB ASN 53 10.416 11.941 -10.592 387 2HB ASN 53 3HB ASN 53 10.181 10.214 -10.416 388 1HD2 ASN 53 1HD2 ASN 53 8.137 10.119 -11.175 389 2HD2 ASN 53 2HD2 ASN 53 6.753 10.800 -10.386 390 H THR 54 HN THR 54 12.948 10.417 -7.341 391 HA THR 54 HA THR 54 12.043 7.655 -7.128 392 HB THR 54 HB THR 54 13.238 7.560 -9.228 393 HG1 THR 54 1HG THR 54 15.315 6.524 -8.319 394 1HG2 THR 54 1HG2 THR 54 15.291 8.642 -9.692 395 2HG2 THR 54 2HG2 THR 54 14.467 9.866 -8.697 396 3HG2 THR 54 3HG2 THR 54 15.700 8.809 -7.968 397 H ALA 55 HN ALA 55 14.624 10.087 -6.432 398 HA ALA 55 HA ALA 55 15.637 10.583 -4.522 399 1HB ALA 55 1HB ALA 55 13.213 10.053 -3.631 400 2HB ALA 55 2HB ALA 55 13.989 8.594 -2.967 401 3HB ALA 55 3HB ALA 55 14.567 10.207 -2.485 402 H GLY 56 HN GLY 56 14.779 7.046 -4.424 403 1HA GLY 56 1HA GLY 56 16.517 5.479 -5.060 404 2HA GLY 56 2HA GLY 56 17.678 6.491 -4.224 405 H CYS 57 HN CYS 57 14.433 6.049 -2.860 406 HA CYS 57 HA CYS 57 13.811 5.275 -0.891 407 1HB CYS 57 2HB CYS 57 14.707 3.106 -2.476 408 2HB CYS 57 3HB CYS 57 15.218 2.769 -0.834 409 H THR 58 HN THR 58 15.164 6.989 0.173 410 HA THR 58 HA THR 58 17.331 5.745 1.727 411 HB THR 58 HB THR 58 18.573 7.894 1.495 412 HG1 THR 58 1HG THR 58 16.393 9.023 1.164 413 1HG2 THR 58 1HG2 THR 58 18.253 7.876 -1.297 414 2HG2 THR 58 2HG2 THR 58 19.431 6.900 -0.388 415 3HG2 THR 58 3HG2 THR 58 17.850 6.209 -0.824 416 H SER 59 HN SER 59 17.454 8.732 2.807 417 HA SER 59 HA SER 59 15.002 8.953 4.180 418 1HB SER 59 2HB SER 59 15.855 7.123 5.530 419 2HB SER 59 3HB SER 59 17.424 7.887 5.686 420 HG SER 59 HG SER 59 16.531 8.534 7.557 421 H ALA 60 HN ALA 60 15.038 11.135 3.513 422 HA ALA 60 HA ALA 60 17.112 12.751 4.808 423 1HB ALA 60 1HB ALA 60 17.553 13.966 2.849 424 2HB ALA 60 2HB ALA 60 17.423 12.294 2.252 425 3HB ALA 60 3HB ALA 60 16.057 13.419 2.055 426 H GLY 61 HN GLY 61 14.198 13.275 2.699 427 1HA GLY 61 1HA GLY 61 12.442 14.023 4.727 428 2HA GLY 61 2HA GLY 61 13.284 15.474 4.221 429 HA PRO 62 HA PRO 62 10.118 13.990 1.040 430 1HB PRO 62 2HB PRO 62 7.635 14.358 2.119 431 2HB PRO 62 3HB PRO 62 8.422 12.795 2.037 432 1HG PRO 62 2HG PRO 62 8.044 14.559 4.379 433 2HG PRO 62 3HG PRO 62 8.431 12.850 4.343 434 1HD PRO 62 2HD PRO 62 10.242 15.009 4.882 435 2HD PRO 62 3HD PRO 62 10.650 13.311 4.731 436 H HIS 63 HN HIS 63 8.213 15.311 -0.036 437 HA HIS 63 HA HIS 63 8.465 18.084 0.726 438 1HB HIS 63 2HB HIS 63 10.304 18.105 -0.698 439 2HB HIS 63 3HB HIS 63 9.605 16.940 -1.805 440 HD1 HIS 63 HD1 HIS 63 8.803 20.519 -0.650 441 HD2 HIS 63 HD2 HIS 63 8.667 18.108 -4.081 442 HE1 HIS 63 HE1 HIS 63 8.007 22.024 -2.551 443 H PHE 64 HN PHE 64 7.198 15.626 -1.605 444 HA PHE 64 HA PHE 64 5.165 15.283 -2.388 445 1HB PHE 64 2HB PHE 64 4.833 16.524 0.181 446 2HB PHE 64 3HB PHE 64 3.720 17.370 -0.874 447 HD1 PHE 64 1HD PHE 64 1.618 16.471 -1.265 448 HD2 PHE 64 2HD PHE 64 4.717 13.912 0.096 449 HE1 PHE 64 1HE PHE 64 -0.035 14.597 -1.026 450 HE2 PHE 64 2HE PHE 64 3.064 12.038 0.335 451 HZ PHE 64 HZ PHE 64 0.708 12.403 -0.229 452 H ASN 65 HN ASN 65 2.994 16.806 -3.086 453 HA ASN 65 HA ASN 65 4.258 18.715 -4.860 454 1HB ASN 65 2HB ASN 65 2.714 16.822 -5.707 455 2HB ASN 65 3HB ASN 65 1.384 17.668 -4.941 456 1HD2 ASN 65 1HD2 ASN 65 0.220 18.631 -6.415 457 2HD2 ASN 65 2HD2 ASN 65 0.787 19.585 -7.744 458 HA PRO 66 HA PRO 66 2.335 21.849 -2.425 459 1HB PRO 66 2HB PRO 66 3.063 24.025 -3.910 460 2HB PRO 66 3HB PRO 66 4.112 23.284 -2.718 461 1HG PRO 66 2HG PRO 66 4.249 23.117 -5.666 462 2HG PRO 66 3HG PRO 66 5.494 22.756 -4.487 463 1HD PRO 66 2HD PRO 66 3.907 20.861 -5.941 464 2HD PRO 66 3HD PRO 66 5.069 20.505 -4.679 465 H LEU 67 HN LEU 67 0.239 20.852 -2.902 466 HA LEU 67 HA LEU 67 -1.295 22.812 -4.386 467 1HB LEU 67 2HB LEU 67 -0.503 20.937 -5.944 468 2HB LEU 67 3HB LEU 67 -1.599 19.895 -5.059 469 HG LEU 67 HG LEU 67 -2.449 20.890 -7.235 470 1HD1 LEU 67 1HD1 LEU 67 -4.717 21.531 -6.111 471 2HD1 LEU 67 2HD1 LEU 67 -4.094 19.869 -5.982 472 3HD1 LEU 67 3HD1 LEU 67 -3.911 20.996 -4.617 473 1HD2 LEU 67 1HD2 LEU 67 -1.503 23.219 -6.535 474 2HD2 LEU 67 2HD2 LEU 67 -3.030 23.114 -7.443 475 3HD2 LEU 67 3HD2 LEU 67 -3.058 23.387 -5.685 476 H SER 68 HN SER 68 -1.351 19.642 -2.621 477 HA SER 68 HA SER 68 -3.698 20.685 -1.238 478 1HB SER 68 2HB SER 68 -2.995 17.988 -2.300 479 2HB SER 68 3HB SER 68 -3.738 17.986 -0.713 480 HG SER 68 HG SER 68 -5.312 17.869 -2.455 481 H ARG 69 HN ARG 69 -0.417 19.409 -1.019 482 HA ARG 69 HA ARG 69 -0.517 18.695 1.676 483 1HB ARG 69 2HB ARG 69 1.248 17.896 0.114 484 2HB ARG 69 3HB ARG 69 1.845 19.532 -0.081 485 1HG ARG 69 2HG ARG 69 3.251 19.088 1.651 486 2HG ARG 69 3HG ARG 69 1.849 19.227 2.693 487 1HD ARG 69 2HD ARG 69 1.811 16.982 3.120 488 2HD ARG 69 3HD ARG 69 1.988 16.572 1.425 489 HE ARG 69 HE ARG 69 4.484 17.596 2.439 490 1HH1 ARG 69 2HH2 ARG 69 2.427 14.744 2.564 491 2HH1 ARG 69 1HH2 ARG 69 3.737 13.656 2.882 492 1HH2 ARG 69 2HH1 ARG 69 6.213 16.162 2.859 493 2HH2 ARG 69 1HH1 ARG 69 5.905 14.468 3.051 494 H LYS 70 HN LYS 70 -1.832 20.845 2.156 495 HA LYS 70 HA LYS 70 0.032 22.636 3.425 496 1HB LYS 70 2HB LYS 70 -1.313 23.342 0.913 497 2HB LYS 70 3HB LYS 70 -1.629 24.483 2.204 498 1HG LYS 70 2HG LYS 70 0.701 24.943 2.532 499 2HG LYS 70 3HG LYS 70 1.198 23.509 1.655 500 1HD LYS 70 2HD LYS 70 1.514 24.994 -0.070 501 2HD LYS 70 3HD LYS 70 -0.204 24.756 -0.323 502 1HE LYS 70 2HE LYS 70 -0.316 26.723 1.565 503 2HE LYS 70 3HE LYS 70 1.236 27.113 0.851 504 1HZ LYS 70 1HZ LYS 70 0.281 27.630 -1.107 505 2HZ LYS 70 2HZ LYS 70 -0.941 26.555 -0.968 506 3HZ LYS 70 3HZ LYS 70 -1.000 27.969 -0.153 507 H HIS 71 HN HIS 71 -1.274 21.022 4.935 508 HA HIS 71 HA HIS 71 -2.745 20.813 6.547 509 1HB HIS 71 2HB HIS 71 -3.105 22.650 7.784 510 2HB HIS 71 3HB HIS 71 -2.071 23.430 6.604 511 HD1 HIS 71 HD1 HIS 71 -3.028 25.478 5.535 512 HD2 HIS 71 HD2 HIS 71 -6.013 22.918 6.997 513 HE1 HIS 71 HE1 HIS 71 -5.247 26.684 5.170 514 H GLY 72 HN GLY 72 -4.964 20.260 6.904 515 1HA GLY 72 1HA GLY 72 -7.125 21.143 5.406 516 2HA GLY 72 2HA GLY 72 -6.438 19.791 4.527 517 H GLY 73 HN GLY 73 -6.858 17.696 5.196 518 1HA GLY 73 1HA GLY 73 -7.728 17.214 7.933 519 2HA GLY 73 2HA GLY 73 -8.932 16.956 6.685 520 HA PRO 74 HA PRO 74 -6.991 13.000 6.591 521 1HB PRO 74 2HB PRO 74 -9.028 11.673 5.342 522 2HB PRO 74 3HB PRO 74 -8.946 11.885 7.080 523 1HG PRO 74 2HG PRO 74 -10.671 13.275 5.122 524 2HG PRO 74 3HG PRO 74 -10.859 13.155 6.860 525 1HD PRO 74 2HD PRO 74 -9.904 15.425 5.390 526 2HD PRO 74 3HD PRO 74 -9.983 15.263 7.133 527 H LYS 75 HN LYS 75 -8.993 13.300 3.711 528 HA LYS 75 HA LYS 75 -6.707 13.815 2.082 529 1HB LYS 75 2HB LYS 75 -6.854 11.706 0.777 530 2HB LYS 75 3HB LYS 75 -6.246 11.486 2.405 531 1HG LYS 75 2HG LYS 75 -7.872 9.948 2.759 532 2HG LYS 75 3HG LYS 75 -9.063 11.228 2.641 533 1HD LYS 75 2HD LYS 75 -8.736 10.873 0.012 534 2HD LYS 75 3HD LYS 75 -8.133 9.303 0.503 535 1HE LYS 75 2HE LYS 75 -10.895 10.479 1.014 536 2HE LYS 75 3HE LYS 75 -10.497 9.027 0.117 537 1HZ LYS 75 1HZ LYS 75 -9.433 8.686 2.615 538 2HZ LYS 75 2HZ LYS 75 -10.917 9.319 2.871 539 3HZ LYS 75 3HZ LYS 75 -10.754 7.947 2.001 540 H ASP 76 HN ASP 76 -8.152 15.650 1.707 541 HA ASP 76 HA ASP 76 -9.771 15.144 -0.543 542 1HB ASP 76 2HB ASP 76 -11.047 15.119 2.039 543 2HB ASP 76 3HB ASP 76 -11.520 16.607 1.244 544 H GLU 77 HN GLU 77 -8.934 17.306 2.239 545 HA GLU 77 HA GLU 77 -8.882 19.526 0.347 546 1HB GLU 77 2HB GLU 77 -10.006 19.262 3.015 547 2HB GLU 77 3HB GLU 77 -8.790 20.524 3.017 548 1HG GLU 77 2HG GLU 77 -9.891 21.651 1.116 549 2HG GLU 77 3HG GLU 77 -11.047 20.343 0.966 550 H GLU 78 HN GLU 78 -6.863 17.284 1.466 551 HA GLU 78 HA GLU 78 -4.610 18.899 1.145 552 1HB GLU 78 2HB GLU 78 -4.828 19.712 3.356 553 2HB GLU 78 3HB GLU 78 -5.399 18.176 3.976 554 1HG GLU 78 2HG GLU 78 -3.127 17.180 3.545 555 2HG GLU 78 3HG GLU 78 -2.564 18.742 2.984 556 H ARG 79 HN ARG 79 -2.569 17.581 1.268 557 HA ARG 79 HA ARG 79 -1.697 15.777 0.288 558 1HB ARG 79 2HB ARG 79 -1.128 14.147 2.008 559 2HB ARG 79 3HB ARG 79 -1.253 15.712 2.787 560 1HG ARG 79 2HG ARG 79 -3.859 14.831 2.997 561 2HG ARG 79 3HG ARG 79 -2.996 13.307 3.072 562 1HD ARG 79 2HD ARG 79 -2.601 15.727 4.890 563 2HD ARG 79 3HD ARG 79 -3.235 14.159 5.348 564 HE ARG 79 HE ARG 79 -0.652 13.742 4.220 565 1HH1 ARG 79 2HH2 ARG 79 -2.106 15.241 7.052 566 2HH1 ARG 79 1HH2 ARG 79 -0.716 14.992 8.056 567 1HH2 ARG 79 2HH1 ARG 79 1.182 13.412 5.544 568 2HH2 ARG 79 1HH1 ARG 79 1.166 13.945 7.192 569 H HIS 80 HN HIS 80 -3.982 15.796 -1.068 570 HA HIS 80 HA HIS 80 -5.126 13.122 -0.706 571 1HB HIS 80 2HB HIS 80 -6.890 14.591 -0.316 572 2HB HIS 80 3HB HIS 80 -6.350 15.739 -1.526 573 HD1 HIS 80 HD1 HIS 80 -7.387 12.034 -1.677 574 HD2 HIS 80 HD2 HIS 80 -8.070 15.683 -3.629 575 HE1 HIS 80 HE1 HIS 80 -9.025 11.537 -3.569 576 H VAL 81 HN VAL 81 -3.071 15.088 -2.575 577 HA VAL 81 HA VAL 81 -3.716 14.327 -5.170 578 HB VAL 81 HB VAL 81 -2.100 16.103 -4.250 579 1HG1 VAL 81 1HG1 VAL 81 0.224 15.496 -4.050 580 2HG1 VAL 81 2HG1 VAL 81 -0.721 14.466 -2.949 581 3HG1 VAL 81 3HG1 VAL 81 -0.128 13.808 -4.493 582 1HG2 VAL 81 1HG2 VAL 81 -2.402 14.899 -6.737 583 2HG2 VAL 81 2HG2 VAL 81 -1.550 16.424 -6.397 584 3HG2 VAL 81 3HG2 VAL 81 -0.641 14.896 -6.477 585 H GLY 82 HN GLY 82 -1.683 12.757 -2.638 586 1HA GLY 82 1HA GLY 82 -1.893 10.254 -4.169 587 2HA GLY 82 2HA GLY 82 -0.313 10.831 -3.680 588 H ASP 83 HN ASP 83 -0.968 11.982 -1.125 589 HA ASP 83 HA ASP 83 -0.623 9.893 0.516 590 1HB ASP 83 2HB ASP 83 -1.525 12.693 0.779 591 2HB ASP 83 3HB ASP 83 -2.155 11.677 2.060 592 H LEU 84 HN LEU 84 -2.380 9.436 2.474 593 HA LEU 84 HA LEU 84 -5.052 9.170 1.351 594 1HB LEU 84 2HB LEU 84 -3.718 7.119 0.792 595 2HB LEU 84 3HB LEU 84 -3.560 6.816 2.511 596 HG LEU 84 HG LEU 84 -6.326 7.186 2.038 597 1HD1 LEU 84 1HD1 LEU 84 -4.943 5.752 -0.189 598 2HD1 LEU 84 2HD1 LEU 84 -6.496 5.115 0.404 599 3HD1 LEU 84 3HD1 LEU 84 -6.394 6.782 -0.210 600 1HD2 LEU 84 1HD2 LEU 84 -5.719 5.762 3.759 601 2HD2 LEU 84 2HD2 LEU 84 -6.286 4.630 2.507 602 3HD2 LEU 84 3HD2 LEU 84 -4.541 4.878 2.759 603 H GLY 85 HN GLY 85 -3.063 8.124 4.214 604 1HA GLY 85 1HA GLY 85 -4.258 9.970 5.981 605 2HA GLY 85 2HA GLY 85 -5.105 8.440 6.091 606 H ASN 86 HN ASN 86 -4.147 8.647 8.388 607 HA ASN 86 HA ASN 86 -1.346 8.124 8.539 608 1HB ASN 86 2HB ASN 86 -3.446 7.989 10.764 609 2HB ASN 86 3HB ASN 86 -1.714 8.146 10.981 610 1HD2 ASN 86 1HD2 ASN 86 -2.689 9.982 12.280 611 2HD2 ASN 86 2HD2 ASN 86 -2.816 11.525 11.505 612 H VAL 87 HN VAL 87 -0.472 6.041 8.545 613 HA VAL 87 HA VAL 87 -2.357 3.822 8.761 614 HB VAL 87 HB VAL 87 -0.672 2.520 7.667 615 1HG1 VAL 87 1HG1 VAL 87 -1.158 5.238 6.430 616 2HG1 VAL 87 2HG1 VAL 87 -0.324 3.929 5.560 617 3HG1 VAL 87 3HG1 VAL 87 -2.002 3.704 6.111 618 1HG2 VAL 87 1HG2 VAL 87 1.363 3.244 8.647 619 2HG2 VAL 87 2HG2 VAL 87 1.486 3.649 6.918 620 3HG2 VAL 87 3HG2 VAL 87 1.118 4.922 8.107 621 H THR 88 HN THR 88 -2.554 2.786 10.672 622 HA THR 88 HA THR 88 -0.407 3.143 12.629 623 HB THR 88 HB THR 88 -3.344 2.303 12.770 624 HG1 THR 88 1HG THR 88 -3.453 4.424 13.497 625 1HG2 THR 88 1HG2 THR 88 -1.943 1.081 14.513 626 2HG2 THR 88 2HG2 THR 88 -1.353 2.666 15.069 627 3HG2 THR 88 3HG2 THR 88 -3.080 2.259 15.213 628 H ALA 89 HN ALA 89 0.377 1.331 13.892 629 HA ALA 89 HA ALA 89 0.752 -0.959 12.170 630 1HB ALA 89 1HB ALA 89 2.150 -1.521 14.422 631 2HB ALA 89 2HB ALA 89 2.774 -0.473 13.125 632 3HB ALA 89 3HB ALA 89 2.037 0.248 14.576 633 H ASP 90 HN ASP 90 0.681 -3.206 13.299 634 HA ASP 90 HA ASP 90 -1.972 -3.497 14.232 635 1HB ASP 90 2HB ASP 90 -1.120 -5.245 12.833 636 2HB ASP 90 3HB ASP 90 0.367 -5.373 13.752 637 H LYS 91 HN LYS 91 0.610 -5.499 15.650 638 HA LYS 91 HA LYS 91 0.332 -4.105 18.206 639 1HB LYS 91 2HB LYS 91 -0.017 -6.193 19.389 640 2HB LYS 91 3HB LYS 91 -1.294 -5.942 18.216 641 1HG LYS 91 2HG LYS 91 -0.090 -7.449 16.604 642 2HG LYS 91 3HG LYS 91 1.157 -7.721 17.805 643 1HD LYS 91 2HD LYS 91 -0.106 -9.476 18.516 644 2HD LYS 91 3HD LYS 91 -1.165 -8.283 19.240 645 1HE LYS 91 2HE LYS 91 -2.231 -8.181 16.793 646 2HE LYS 91 3HE LYS 91 -1.487 -9.758 16.618 647 1HZ LYS 91 1HZ LYS 91 -3.836 -9.192 17.880 648 2HZ LYS 91 2HZ LYS 91 -3.054 -10.625 17.876 649 3HZ LYS 91 3HZ LYS 91 -2.805 -9.562 19.090 650 H ASP 92 HN ASP 92 2.315 -4.763 15.768 651 HA ASP 92 HA ASP 92 4.573 -4.800 17.499 652 1HB ASP 92 2HB ASP 92 3.690 -7.226 16.091 653 2HB ASP 92 3HB ASP 92 5.299 -6.753 15.585 654 H GLY 93 HN GLY 93 3.150 -3.116 15.416 655 1HA GLY 93 1HA GLY 93 4.189 -1.531 14.043 656 2HA GLY 93 2HA GLY 93 5.457 -2.676 13.655 657 H VAL 94 HN VAL 94 3.948 -4.990 12.974 658 HA VAL 94 HA VAL 94 3.517 -4.740 10.348 659 HB VAL 94 HB VAL 94 1.817 -6.433 12.187 660 1HG1 VAL 94 1HG1 VAL 94 1.158 -7.583 10.376 661 2HG1 VAL 94 2HG1 VAL 94 1.737 -6.188 9.433 662 3HG1 VAL 94 3HG1 VAL 94 2.796 -7.598 9.679 663 1HG2 VAL 94 1HG2 VAL 94 4.008 -7.940 11.262 664 2HG2 VAL 94 2HG2 VAL 94 4.690 -6.396 11.828 665 3HG2 VAL 94 3HG2 VAL 94 3.696 -7.385 12.925 666 H ALA 95 HN ALA 95 2.520 -2.951 9.471 667 HA ALA 95 HA ALA 95 -0.159 -2.320 10.468 668 1HB ALA 95 1HB ALA 95 0.171 -0.160 9.447 669 2HB ALA 95 2HB ALA 95 1.649 -0.551 10.359 670 3HB ALA 95 3HB ALA 95 1.624 -0.727 8.588 671 H ASP 96 HN ASP 96 -1.864 -3.145 9.375 672 HA ASP 96 HA ASP 96 -1.367 -3.885 6.605 673 1HB ASP 96 2HB ASP 96 -3.074 -5.548 6.839 674 2HB ASP 96 3HB ASP 96 -2.112 -5.654 8.300 675 H VAL 97 HN VAL 97 -3.084 -3.339 5.016 676 HA VAL 97 HA VAL 97 -4.925 -1.265 5.988 677 HB VAL 97 HB VAL 97 -3.496 -1.332 3.325 678 1HG1 VAL 97 1HG1 VAL 97 -5.349 0.670 4.643 679 2HG1 VAL 97 2HG1 VAL 97 -4.299 1.079 3.265 680 3HG1 VAL 97 3HG1 VAL 97 -5.557 -0.168 3.087 681 1HG2 VAL 97 1HG2 VAL 97 -2.544 -0.485 5.912 682 2HG2 VAL 97 2HG2 VAL 97 -1.706 -0.477 4.342 683 3HG2 VAL 97 3HG2 VAL 97 -2.691 0.922 4.832 684 H SER 98 HN SER 98 -6.859 -0.992 4.476 685 HA SER 98 HA SER 98 -7.480 -2.950 2.633 686 1HB SER 98 2HB SER 98 -9.184 -4.262 3.899 687 2HB SER 98 3HB SER 98 -7.557 -4.529 4.494 688 HG SER 98 HG SER 98 -9.639 -3.825 5.947 689 H ILE 99 HN ILE 99 -8.110 -0.890 1.659 690 HA ILE 99 HA ILE 99 -10.762 -0.054 2.566 691 HB ILE 99 HB ILE 99 -8.516 1.831 1.844 692 1HG1 ILE 99 2HG1 ILE 99 -9.522 2.314 4.452 693 2HG1 ILE 99 3HG1 ILE 99 -9.213 0.592 4.350 694 1HG2 ILE 99 1HG2 ILE 99 -10.218 3.538 2.698 695 2HG2 ILE 99 2HG2 ILE 99 -10.495 2.836 1.086 696 3HG2 ILE 99 3HG2 ILE 99 -11.433 2.256 2.483 697 1HD1 ILE 99 1HD1 ILE 99 -7.125 1.487 5.020 698 2HD1 ILE 99 2HD1 ILE 99 -6.928 1.268 3.265 699 3HD1 ILE 99 3HD1 ILE 99 -7.270 2.884 3.927 700 H GLU 100 HN GLU 100 -11.839 1.329 0.763 701 HA GLU 100 HA GLU 100 -10.917 0.340 -1.817 702 1HB GLU 100 2HB GLU 100 -13.090 -0.742 -0.592 703 2HB GLU 100 3HB GLU 100 -13.871 0.607 -1.393 704 1HG GLU 100 2HG GLU 100 -12.272 -0.332 -3.433 705 2HG GLU 100 3HG GLU 100 -12.600 -1.823 -2.573 706 H ASP 101 HN ASP 101 -10.068 2.299 -2.552 707 HA ASP 101 HA ASP 101 -11.587 4.683 -2.145 708 1HB ASP 101 2HB ASP 101 -9.044 4.548 -2.110 709 2HB ASP 101 3HB ASP 101 -9.083 4.227 -3.832 710 H SER 102 HN SER 102 -13.209 5.293 -3.584 711 HA SER 102 HA SER 102 -13.130 4.070 -6.216 712 1HB SER 102 2HB SER 102 -15.174 3.759 -4.784 713 2HB SER 102 3HB SER 102 -15.427 5.493 -4.799 714 HG SER 102 HG SER 102 -15.262 5.056 -7.324 715 H VAL 103 HN VAL 103 -11.266 5.835 -6.435 716 HA VAL 103 HA VAL 103 -12.451 8.008 -7.907 717 HB VAL 103 HB VAL 103 -10.818 8.437 -5.407 718 1HG1 VAL 103 1HG1 VAL 103 -11.244 10.266 -7.771 719 2HG1 VAL 103 2HG1 VAL 103 -10.961 10.912 -6.137 720 3HG1 VAL 103 3HG1 VAL 103 -9.736 9.876 -6.910 721 1HG2 VAL 103 1HG2 VAL 103 -13.093 8.402 -4.837 722 2HG2 VAL 103 2HG2 VAL 103 -12.730 10.133 -5.038 723 3HG2 VAL 103 3HG2 VAL 103 -13.578 9.246 -6.328 724 H ILE 104 HN ILE 104 -9.237 7.269 -6.376 725 HA ILE 104 HA ILE 104 -7.724 7.976 -8.548 726 HB ILE 104 HB ILE 104 -5.995 6.487 -7.541 727 1HG1 ILE 104 2HG1 ILE 104 -6.537 5.456 -5.333 728 2HG1 ILE 104 3HG1 ILE 104 -8.234 5.789 -5.619 729 1HG2 ILE 104 1HG2 ILE 104 -7.459 8.322 -5.624 730 2HG2 ILE 104 2HG2 ILE 104 -5.762 7.800 -5.499 731 3HG2 ILE 104 3HG2 ILE 104 -6.280 8.824 -6.860 732 1HD1 ILE 104 1HD1 ILE 104 -7.083 3.449 -6.325 733 2HD1 ILE 104 2HD1 ILE 104 -8.436 4.153 -7.243 734 3HD1 ILE 104 3HD1 ILE 104 -6.764 4.367 -7.816 735 H SER 105 HN SER 105 -6.176 6.087 -9.607 736 HA SER 105 HA SER 105 -7.572 3.760 -10.323 737 1HB SER 105 2HB SER 105 -8.317 6.035 -11.809 738 2HB SER 105 3HB SER 105 -7.168 5.213 -12.844 739 HG SER 105 HG SER 105 -9.743 4.591 -12.470 740 H LEU 106 HN LEU 106 -6.224 2.366 -11.750 741 HA LEU 106 HA LEU 106 -3.497 2.665 -11.204 742 1HB LEU 106 2HB LEU 106 -5.135 0.850 -12.940 743 2HB LEU 106 3HB LEU 106 -3.385 0.801 -13.018 744 HG LEU 106 HG LEU 106 -4.410 -0.907 -11.518 745 1HD1 LEU 106 1HD1 LEU 106 -2.444 1.095 -10.406 746 2HD1 LEU 106 2HD1 LEU 106 -2.872 -0.404 -9.546 747 3HD1 LEU 106 3HD1 LEU 106 -2.126 -0.486 -11.159 748 1HD2 LEU 106 1HD2 LEU 106 -6.268 0.248 -10.587 749 2HD2 LEU 106 2HD2 LEU 106 -5.154 -0.117 -9.248 750 3HD2 LEU 106 3HD2 LEU 106 -5.226 1.529 -9.922 751 H SER 107 HN SER 107 -5.465 3.253 -14.181 752 HA SER 107 HA SER 107 -3.536 5.204 -14.965 753 1HB SER 107 2HB SER 107 -4.055 2.788 -16.756 754 2HB SER 107 3HB SER 107 -3.133 4.206 -17.215 755 HG SER 107 HG SER 107 -2.447 2.093 -15.430 756 H GLY 108 HN GLY 108 -4.385 6.608 -16.700 757 1HA GLY 108 1HA GLY 108 -5.999 7.587 -17.938 758 2HA GLY 108 2HA GLY 108 -6.927 6.102 -17.887 759 H ASP 109 HN ASP 109 -5.783 8.548 -15.439 760 HA ASP 109 HA ASP 109 -8.239 9.599 -14.921 761 1HB ASP 109 2HB ASP 109 -7.671 7.043 -13.461 762 2HB ASP 109 3HB ASP 109 -8.299 8.353 -12.481 763 H HIS 110 HN HIS 110 -6.382 8.210 -12.187 764 HA HIS 110 HA HIS 110 -5.074 10.813 -11.860 765 1HB HIS 110 2HB HIS 110 -6.232 10.940 -9.959 766 2HB HIS 110 3HB HIS 110 -6.758 9.272 -10.064 767 HD1 HIS 110 HD1 HIS 110 -4.502 7.537 -9.465 768 HD2 HIS 110 HD2 HIS 110 -4.787 11.328 -7.691 769 HE1 HIS 110 HE1 HIS 110 -3.040 7.460 -7.375 770 H SER 111 HN SER 111 -4.757 7.397 -12.320 771 HA SER 111 HA SER 111 -3.064 6.042 -12.379 772 1HB SER 111 2HB SER 111 -2.117 7.737 -13.916 773 2HB SER 111 3HB SER 111 -1.403 8.594 -12.564 774 HG SER 111 HG SER 111 0.018 6.863 -12.180 775 H ILE 112 HN ILE 112 -2.646 4.846 -10.558 776 HA ILE 112 HA ILE 112 -1.686 6.272 -8.199 777 HB ILE 112 HB ILE 112 -2.199 3.989 -7.141 778 1HG1 ILE 112 2HG1 ILE 112 -3.980 3.631 -9.549 779 2HG1 ILE 112 3HG1 ILE 112 -2.379 2.922 -9.492 780 1HG2 ILE 112 1HG2 ILE 112 -3.585 5.718 -6.492 781 2HG2 ILE 112 2HG2 ILE 112 -4.184 6.006 -8.144 782 3HG2 ILE 112 3HG2 ILE 112 -4.736 4.580 -7.233 783 1HD1 ILE 112 1HD1 ILE 112 -4.829 2.196 -7.962 784 2HD1 ILE 112 2HD1 ILE 112 -3.469 1.174 -8.485 785 3HD1 ILE 112 3HD1 ILE 112 -3.317 2.178 -7.023 786 H ILE 113 HN ILE 113 -0.846 3.715 -10.561 787 HA ILE 113 HA ILE 113 1.241 2.485 -9.420 788 HB ILE 113 HB ILE 113 0.912 3.501 -12.236 789 1HG1 ILE 113 2HG1 ILE 113 0.231 0.966 -10.773 790 2HG1 ILE 113 3HG1 ILE 113 -0.771 1.946 -11.824 791 1HG2 ILE 113 1HG2 ILE 113 3.312 3.180 -11.747 792 2HG2 ILE 113 2HG2 ILE 113 2.969 1.507 -11.248 793 3HG2 ILE 113 3HG2 ILE 113 2.687 2.009 -12.932 794 1HD1 ILE 113 1HD1 ILE 113 -0.239 0.086 -13.180 795 2HD1 ILE 113 2HD1 ILE 113 0.943 1.308 -13.706 796 3HD1 ILE 113 3HD1 ILE 113 1.438 0.015 -12.586 797 H GLY 114 HN GLY 114 3.000 3.132 -8.313 798 1HA GLY 114 1HA GLY 114 5.119 4.289 -8.500 799 2HA GLY 114 2HA GLY 114 4.260 5.677 -9.138 800 H ARG 115 HN ARG 115 2.089 4.568 -6.938 801 HA ARG 115 HA ARG 115 3.076 6.428 -4.980 802 1HB ARG 115 2HB ARG 115 0.439 5.364 -5.810 803 2HB ARG 115 3HB ARG 115 0.605 5.449 -4.068 804 1HG ARG 115 2HG ARG 115 -0.040 7.630 -4.354 805 2HG ARG 115 3HG ARG 115 1.650 7.887 -4.739 806 1HD ARG 115 2HD ARG 115 0.039 6.947 -7.053 807 2HD ARG 115 3HD ARG 115 -0.484 8.494 -6.419 808 HE ARG 115 HE ARG 115 2.044 7.932 -7.781 809 1HH1 ARG 115 2HH2 ARG 115 0.410 10.101 -5.543 810 2HH1 ARG 115 1HH2 ARG 115 1.478 11.429 -5.851 811 1HH2 ARG 115 2HH1 ARG 115 3.453 9.684 -8.188 812 2HH2 ARG 115 1HH1 ARG 115 3.220 11.191 -7.366 813 H THR 116 HN THR 116 4.767 5.178 -3.964 814 HA THR 116 HA THR 116 4.273 2.536 -3.020 815 HB THR 116 HB THR 116 6.535 3.124 -3.572 816 HG1 THR 116 1HG THR 116 5.888 2.202 -1.281 817 1HG2 THR 116 1HG2 THR 116 7.621 5.029 -2.103 818 2HG2 THR 116 2HG2 THR 116 6.680 5.504 -3.537 819 3HG2 THR 116 3HG2 THR 116 5.949 5.611 -1.918 820 H LEU 117 HN LEU 117 3.896 1.764 -0.937 821 HA LEU 117 HA LEU 117 2.465 3.668 0.708 822 1HB LEU 117 2HB LEU 117 2.207 0.939 0.071 823 2HB LEU 117 3HB LEU 117 2.622 0.994 1.773 824 HG LEU 117 HG LEU 117 0.233 0.956 1.544 825 1HD1 LEU 117 1HD1 LEU 117 1.630 2.856 3.008 826 2HD1 LEU 117 2HD1 LEU 117 0.315 3.782 2.244 827 3HD1 LEU 117 3HD1 LEU 117 -0.062 2.359 3.246 828 1HD2 LEU 117 1HD2 LEU 117 -0.346 1.701 -0.551 829 2HD2 LEU 117 2HD2 LEU 117 -0.839 3.088 0.450 830 3HD2 LEU 117 3HD2 LEU 117 0.694 3.142 -0.452 831 H VAL 118 HN VAL 118 4.587 4.869 1.076 832 HA VAL 118 HA VAL 118 6.447 3.529 2.819 833 HB VAL 118 HB VAL 118 6.305 6.446 2.050 834 1HG1 VAL 118 1HG1 VAL 118 7.918 6.362 3.683 835 2HG1 VAL 118 2HG1 VAL 118 8.346 4.670 3.333 836 3HG1 VAL 118 3HG1 VAL 118 8.910 5.971 2.257 837 1HG2 VAL 118 1HG2 VAL 118 6.774 4.148 0.361 838 2HG2 VAL 118 2HG2 VAL 118 6.712 5.875 -0.067 839 3HG2 VAL 118 3HG2 VAL 118 8.245 5.145 0.469 840 H VAL 119 HN VAL 119 7.124 4.906 4.880 841 HA VAL 119 HA VAL 119 4.821 6.106 6.162 842 HB VAL 119 HB VAL 119 5.276 4.561 8.171 843 1HG1 VAL 119 1HG1 VAL 119 3.554 3.043 7.473 844 2HG1 VAL 119 2HG1 VAL 119 3.210 4.627 6.736 845 3HG1 VAL 119 3HG1 VAL 119 3.922 3.324 5.754 846 1HG2 VAL 119 1HG2 VAL 119 6.725 2.880 7.960 847 2HG2 VAL 119 2HG2 VAL 119 5.837 2.255 6.549 848 3HG2 VAL 119 3HG2 VAL 119 7.131 3.457 6.326 849 H HIS 120 HN HIS 120 5.424 7.633 7.705 850 HA HIS 120 HA HIS 120 8.233 8.260 7.691 851 1HB HIS 120 2HB HIS 120 6.055 9.756 9.150 852 2HB HIS 120 3HB HIS 120 7.603 10.359 8.593 853 HD1 HIS 120 HD1 HIS 120 7.513 9.345 5.636 854 HD2 HIS 120 HD2 HIS 120 4.339 11.253 7.607 855 HE1 HIS 120 HE1 HIS 120 6.041 10.353 3.812 856 H GLU 121 HN GLU 121 9.374 8.811 9.776 857 HA GLU 121 HA GLU 121 8.832 6.683 11.628 858 1HB GLU 121 2HB GLU 121 11.163 7.700 10.628 859 2HB GLU 121 3HB GLU 121 11.074 8.595 12.132 860 1HG GLU 121 2HG GLU 121 10.834 5.556 11.919 861 2HG GLU 121 3HG GLU 121 12.310 6.404 12.339 862 H LYS 122 HN LYS 122 6.693 7.973 12.112 863 HA LYS 122 HA LYS 122 6.755 8.881 14.670 864 1HB LYS 122 2HB LYS 122 7.864 10.876 12.974 865 2HB LYS 122 3HB LYS 122 6.285 11.450 13.471 866 1HG LYS 122 2HG LYS 122 7.771 10.189 15.692 867 2HG LYS 122 3HG LYS 122 8.632 11.551 15.002 868 1HD LYS 122 2HD LYS 122 7.009 13.093 15.638 869 2HD LYS 122 3HD LYS 122 5.696 11.942 15.490 870 1HE LYS 122 2HE LYS 122 5.827 12.136 17.816 871 2HE LYS 122 3HE LYS 122 6.866 10.749 17.556 872 1HZ LYS 122 1HZ LYS 122 7.543 13.237 18.606 873 2HZ LYS 122 2HZ LYS 122 8.481 11.907 18.465 874 3HZ LYS 122 3HZ LYS 122 8.426 13.001 17.253 875 H ALA 123 HN ALA 123 4.623 10.141 15.216 876 HA ALA 123 HA ALA 123 2.535 8.702 13.952 877 1HB ALA 123 1HB ALA 123 2.355 11.081 15.840 878 2HB ALA 123 2HB ALA 123 1.126 9.825 15.562 879 3HB ALA 123 3HB ALA 123 2.654 9.410 16.374 880 H ASP 124 HN ASP 124 0.445 10.614 13.790 881 HA ASP 124 HA ASP 124 1.414 12.499 11.818 882 1HB ASP 124 2HB ASP 124 -0.461 10.205 11.372 883 2HB ASP 124 3HB ASP 124 -0.946 11.728 10.654 884 H ASP 125 HN ASP 125 0.836 14.300 13.136 885 HA ASP 125 HA ASP 125 -2.009 14.471 13.725 886 1HB ASP 125 2HB ASP 125 0.335 14.758 15.544 887 2HB ASP 125 3HB ASP 125 -0.839 16.053 15.678 888 H LEU 126 HN LEU 126 -2.625 16.058 12.222 889 HA LEU 126 HA LEU 126 -0.825 18.056 11.337 890 1HB LEU 126 2HB LEU 126 -3.808 17.724 11.007 891 2HB LEU 126 3HB LEU 126 -2.853 18.951 10.200 892 HG LEU 126 HG LEU 126 -1.897 16.169 9.843 893 1HD1 LEU 126 1HD1 LEU 126 -4.680 16.783 9.454 894 2HD1 LEU 126 2HD1 LEU 126 -3.907 16.450 7.886 895 3HD1 LEU 126 3HD1 LEU 126 -3.809 15.252 9.198 896 1HD2 LEU 126 1HD2 LEU 126 -1.966 17.144 7.392 897 2HD2 LEU 126 2HD2 LEU 126 -2.091 18.696 8.256 898 3HD2 LEU 126 3HD2 LEU 126 -0.699 17.625 8.546 899 H GLY 127 HN GLY 127 -0.491 18.346 13.952 900 1HA GLY 127 1HA GLY 127 -1.076 20.993 14.494 901 2HA GLY 127 2HA GLY 127 -2.358 20.060 15.241 902 H LYS 128 HN LYS 128 1.234 20.371 15.020 903 HA LYS 128 HA LYS 128 1.389 19.100 17.661 904 1HB LYS 128 2HB LYS 128 3.473 19.356 15.472 905 2HB LYS 128 3HB LYS 128 3.783 18.703 17.068 906 1HG LYS 128 2HG LYS 128 2.193 16.883 16.719 907 2HG LYS 128 3HG LYS 128 1.609 17.602 15.232 908 1HD LYS 128 2HD LYS 128 3.241 16.581 14.035 909 2HD LYS 128 3HD LYS 128 4.484 17.307 15.035 910 1HE LYS 128 2HE LYS 128 2.931 14.921 16.081 911 2HE LYS 128 3HE LYS 128 4.240 14.668 14.943 912 1HZ LYS 128 1HZ LYS 128 5.156 16.436 16.846 913 2HZ LYS 128 2HZ LYS 128 4.406 15.239 17.665 914 3HZ LYS 128 3HZ LYS 128 5.616 14.884 16.627 915 H GLY 129 HN GLY 129 0.503 21.871 17.154 916 1HA GLY 129 1HA GLY 129 0.820 23.762 18.399 917 2HA GLY 129 2HA GLY 129 2.383 23.173 18.930 918 H GLY 130 HN GLY 130 3.777 22.680 16.577 919 1HA GLY 130 1HA GLY 130 4.572 25.270 15.800 920 2HA GLY 130 2HA GLY 130 5.072 23.751 15.083 921 H ASN 131 HN ASN 131 4.923 25.460 13.164 922 HA ASN 131 HA ASN 131 2.430 24.831 11.863 923 1HB ASN 131 2HB ASN 131 2.927 27.420 12.947 924 2HB ASN 131 3HB ASN 131 3.230 27.588 11.229 925 1HD2 ASN 131 1HD2 ASN 131 1.024 28.368 13.201 926 2HD2 ASN 131 2HD2 ASN 131 -0.455 27.928 12.413 927 H GLU 132 HN GLU 132 2.726 24.675 9.543 928 HA GLU 132 HA GLU 132 3.765 24.602 7.628 929 1HB GLU 132 2HB GLU 132 4.794 26.922 8.631 930 2HB GLU 132 3HB GLU 132 6.273 25.996 8.470 931 1HG GLU 132 2HG GLU 132 6.269 26.236 6.213 932 2HG GLU 132 3HG GLU 132 4.632 25.622 6.092 933 H GLN 133 HN GLN 133 4.147 22.683 9.887 934 HA GLN 133 HA GLN 133 6.479 21.388 8.764 935 1HB GLN 133 2HB GLN 133 6.558 22.630 11.286 936 2HB GLN 133 3HB GLN 133 6.300 20.938 11.662 937 1HG GLN 133 2HG GLN 133 8.556 20.718 11.404 938 2HG GLN 133 3HG GLN 133 8.227 20.756 9.683 939 1HE2 GLN 133 1HE2 GLN 133 10.398 21.587 9.543 940 2HE2 GLN 133 2HE2 GLN 133 10.707 23.280 9.743 941 H SER 134 HN SER 134 3.929 21.004 11.339 942 HA SER 134 HA SER 134 3.640 18.260 10.521 943 1HB SER 134 2HB SER 134 2.045 18.164 12.486 944 2HB SER 134 3HB SER 134 3.684 18.626 12.903 945 HG SER 134 HG SER 134 1.447 20.431 12.525 946 H THR 135 HN THR 135 2.042 21.413 10.256 947 HA THR 135 HA THR 135 -0.551 20.569 9.663 948 HB THR 135 HB THR 135 -0.780 22.858 8.814 949 HG1 THR 135 1HG THR 135 2.152 22.801 8.907 950 1HG2 THR 135 1HG2 THR 135 0.583 22.305 11.303 951 2HG2 THR 135 2HG2 THR 135 1.342 23.737 10.566 952 3HG2 THR 135 3HG2 THR 135 -0.408 23.726 10.893 953 H LYS 136 HN LYS 136 2.385 20.091 7.917 954 HA LYS 136 HA LYS 136 0.822 19.574 5.485 955 1HB LYS 136 2HB LYS 136 3.109 19.698 4.367 956 2HB LYS 136 3HB LYS 136 2.415 21.202 4.938 957 1HG LYS 136 2HG LYS 136 4.021 21.490 6.559 958 2HG LYS 136 3HG LYS 136 4.063 19.787 6.971 959 1HD LYS 136 2HD LYS 136 6.085 19.778 5.909 960 2HD LYS 136 3HD LYS 136 5.143 19.723 4.433 961 1HE LYS 136 2HE LYS 136 5.654 22.431 5.655 962 2HE LYS 136 3HE LYS 136 7.000 21.631 4.868 963 1HZ LYS 136 1HZ LYS 136 4.901 21.312 3.170 964 2HZ LYS 136 2HZ LYS 136 4.744 22.848 3.703 965 3HZ LYS 136 3HZ LYS 136 6.135 22.368 2.996 966 H THR 137 HN THR 137 3.147 18.303 7.886 967 HA THR 137 HA THR 137 2.568 15.621 6.833 968 HB THR 137 HB THR 137 4.963 15.054 7.198 969 HG1 THR 137 1HG THR 137 6.314 16.984 7.773 970 1HG2 THR 137 1HG2 THR 137 4.043 16.898 5.195 971 2HG2 THR 137 2HG2 THR 137 5.607 17.510 5.785 972 3HG2 THR 137 3HG2 THR 137 5.488 15.860 5.127 973 H GLY 138 HN GLY 138 4.849 16.079 9.441 974 1HA GLY 138 1HA GLY 138 2.938 16.081 11.563 975 2HA GLY 138 2HA GLY 138 3.527 14.464 11.230 976 H ASN 139 HN ASN 139 5.504 17.383 10.635 977 HA ASN 139 HA ASN 139 7.467 17.951 11.379 978 1HB ASN 139 2HB ASN 139 5.754 18.383 13.415 979 2HB ASN 139 3HB ASN 139 6.728 17.162 14.210 980 1HD2 ASN 139 1HD2 ASN 139 9.172 17.480 13.858 981 2HD2 ASN 139 2HD2 ASN 139 9.787 19.076 14.132 982 H ALA 140 HN ALA 140 7.922 15.590 10.305 983 HA ALA 140 HA ALA 140 9.855 14.353 11.988 984 1HB ALA 140 1HB ALA 140 8.586 12.042 11.527 985 2HB ALA 140 2HB ALA 140 8.264 13.013 12.984 986 3HB ALA 140 3HB ALA 140 7.159 13.102 11.592 987 H GLY 141 HN GLY 141 7.687 13.511 9.185 988 1HA GLY 141 1HA GLY 141 8.262 12.619 7.171 989 2HA GLY 141 2HA GLY 141 9.185 14.105 7.071 990 H SER 142 HN SER 142 9.308 10.611 7.675 991 HA SER 142 HA SER 142 12.115 10.705 7.073 992 1HB SER 142 2HB SER 142 11.032 10.051 9.760 993 2HB SER 142 3HB SER 142 12.145 8.851 9.132 994 HG SER 142 HG SER 142 13.500 10.925 8.593 995 H ARG 143 HN ARG 143 10.909 9.808 5.104 996 HA ARG 143 HA ARG 143 9.419 7.588 5.077 997 1HB ARG 143 2HB ARG 143 10.734 7.149 2.787 998 2HB ARG 143 3HB ARG 143 9.684 8.541 2.959 999 1HG ARG 143 2HG ARG 143 11.460 10.050 3.119 1000 2HG ARG 143 3HG ARG 143 12.544 8.873 3.834 1001 1HD ARG 143 2HD ARG 143 12.875 7.758 1.680 1002 2HD ARG 143 3HD ARG 143 11.611 8.712 0.930 1003 HE ARG 143 HE ARG 143 14.349 9.525 1.312 1004 1HH1 ARG 143 2HH2 ARG 143 11.070 10.800 1.362 1005 2HH1 ARG 143 1HH2 ARG 143 11.553 12.412 0.955 1006 1HH2 ARG 143 2HH1 ARG 143 14.988 11.652 0.775 1007 2HH2 ARG 143 1HH1 ARG 143 13.797 12.900 0.618 1008 H LEU 144 HN LEU 144 9.960 5.272 4.492 1009 HA LEU 144 HA LEU 144 12.589 4.501 5.551 1010 1HB LEU 144 2HB LEU 144 9.922 3.172 6.053 1011 2HB LEU 144 3HB LEU 144 11.478 2.501 6.502 1012 HG LEU 144 HG LEU 144 10.455 5.161 7.524 1013 1HD1 LEU 144 1HD1 LEU 144 9.479 4.175 9.348 1014 2HD1 LEU 144 2HD1 LEU 144 9.123 2.961 8.096 1015 3HD1 LEU 144 3HD1 LEU 144 10.471 2.702 9.229 1016 1HD2 LEU 144 1HD2 LEU 144 12.851 4.997 7.650 1017 2HD2 LEU 144 2HD2 LEU 144 12.174 4.805 9.285 1018 3HD2 LEU 144 3HD2 LEU 144 12.748 3.380 8.386 1019 H ALA 145 HN ALA 145 9.936 2.465 4.241 1020 HA ALA 145 HA ALA 145 11.798 1.598 2.169 1021 1HB ALA 145 1HB ALA 145 10.908 -0.211 3.428 1022 2HB ALA 145 2HB ALA 145 9.262 0.465 3.389 1023 3HB ALA 145 3HB ALA 145 9.983 -0.208 1.908 1024 H CYS 146 HN CYS 146 10.509 0.935 0.022 1025 HA CYS 146 HA CYS 146 8.448 2.861 -0.586 1026 1HB CYS 146 2HB CYS 146 9.604 3.748 -2.552 1027 2HB CYS 146 3HB CYS 146 10.389 4.191 -1.049 1028 H GLY 147 HN GLY 147 7.486 0.564 -0.502 1029 1HA GLY 147 1HA GLY 147 8.171 -1.535 -2.113 1030 2HA GLY 147 2HA GLY 147 6.531 -1.118 -1.655 1031 H VAL 148 HN VAL 148 6.063 1.303 -2.965 1032 HA VAL 148 HA VAL 148 5.502 2.177 -4.915 1033 HB VAL 148 HB VAL 148 7.909 0.611 -5.846 1034 1HG1 VAL 148 1HG1 VAL 148 7.846 2.002 -7.894 1035 2HG1 VAL 148 2HG1 VAL 148 6.438 0.921 -7.762 1036 3HG1 VAL 148 3HG1 VAL 148 6.270 2.653 -7.385 1037 1HG2 VAL 148 1HG2 VAL 148 7.512 3.574 -5.307 1038 2HG2 VAL 148 2HG2 VAL 148 8.348 2.425 -4.235 1039 3HG2 VAL 148 3HG2 VAL 148 9.018 2.793 -5.843 1040 H ILE 149 HN ILE 149 3.682 1.695 -6.038 1041 HA ILE 149 HA ILE 149 2.852 -1.018 -6.191 1042 HB ILE 149 HB ILE 149 1.622 1.431 -7.455 1043 1HG1 ILE 149 2HG1 ILE 149 2.013 1.828 -5.073 1044 2HG1 ILE 149 3HG1 ILE 149 0.304 1.676 -5.426 1045 1HG2 ILE 149 1HG2 ILE 149 -0.421 -0.221 -6.723 1046 2HG2 ILE 149 2HG2 ILE 149 0.294 -0.139 -8.351 1047 3HG2 ILE 149 3HG2 ILE 149 0.828 -1.394 -7.207 1048 1HD1 ILE 149 1HD1 ILE 149 1.856 0.151 -3.566 1049 2HD1 ILE 149 2HD1 ILE 149 0.127 -0.026 -3.948 1050 3HD1 ILE 149 3HD1 ILE 149 1.338 -0.962 -4.856 1051 H GLY 150 HN GLY 150 2.803 -2.426 -7.929 1052 1HA GLY 150 1HA GLY 150 3.588 -1.451 -10.560 1053 2HA GLY 150 2HA GLY 150 4.705 -2.552 -9.777 1054 H ILE 151 HN ILE 151 2.105 -2.389 -11.890 1055 HA ILE 151 HA ILE 151 0.384 -4.382 -11.210 1056 HB ILE 151 HB ILE 151 1.490 -3.562 -13.891 1057 1HG1 ILE 151 2HG1 ILE 151 0.225 -1.884 -12.505 1058 2HG1 ILE 151 3HG1 ILE 151 -0.441 -2.208 -14.093 1059 1HG2 ILE 151 1HG2 ILE 151 -1.108 -4.832 -14.007 1060 2HG2 ILE 151 2HG2 ILE 151 0.371 -5.169 -14.938 1061 3HG2 ILE 151 3HG2 ILE 151 0.120 -5.943 -13.355 1062 1HD1 ILE 151 1HD1 ILE 151 -1.568 -4.096 -12.197 1063 2HD1 ILE 151 2HD1 ILE 151 -1.762 -2.438 -11.579 1064 3HD1 ILE 151 3HD1 ILE 151 -2.403 -2.871 -13.182 1065 H ALA 152 HN ALA 152 0.350 -6.619 -11.211 1066 HA ALA 152 HA ALA 152 2.860 -7.919 -12.009 1067 1HB ALA 152 1HB ALA 152 1.235 -8.231 -9.464 1068 2HB ALA 152 2HB ALA 152 2.385 -9.472 -10.021 1069 3HB ALA 152 3HB ALA 152 2.962 -7.834 -9.631 1070 H GLN 153 HN GLN 153 2.374 -10.471 -12.041 1071 HA GLN 153 HA GLN 153 0.409 -10.754 -14.023 1072 1HB GLN 153 2HB GLN 153 2.581 -12.074 -13.798 1073 2HB GLN 153 3HB GLN 153 1.834 -12.969 -12.490 1074 1HG GLN 153 2HG GLN 153 -0.075 -13.540 -14.117 1075 2HG GLN 153 3HG GLN 153 0.906 -12.848 -15.394 1076 1HE2 GLN 153 1HE2 GLN 153 2.059 -14.219 -16.497 1077 2HE2 GLN 153 2HE2 GLN 153 2.720 -15.724 -15.952 Start of MODEL 19 1 1H ALA 1 HN ALA 1 -9.424 -2.472 -12.260 2 HA ALA 1 HA ALA 1 -9.705 -4.733 -11.849 3 1HB ALA 1 1HB ALA 1 -9.131 -5.638 -14.392 4 2HB ALA 1 2HB ALA 1 -10.614 -4.772 -13.924 5 3HB ALA 1 3HB ALA 1 -9.249 -3.880 -14.639 6 H THR 2 HN THR 2 -6.487 -3.668 -12.661 7 HA THR 2 HA THR 2 -5.389 -6.358 -12.469 8 HB THR 2 HB THR 2 -4.203 -3.584 -12.998 9 HG1 THR 2 1HG THR 2 -5.165 -4.307 -14.886 10 1HG2 THR 2 1HG2 THR 2 -2.253 -4.678 -12.322 11 2HG2 THR 2 2HG2 THR 2 -2.950 -6.294 -12.591 12 3HG2 THR 2 3HG2 THR 2 -2.371 -5.333 -13.973 13 H LYS 3 HN LYS 3 -3.736 -6.934 -10.917 14 HA LYS 3 HA LYS 3 -4.214 -5.545 -8.378 15 1HB LYS 3 2HB LYS 3 -4.984 -7.823 -8.323 16 2HB LYS 3 3HB LYS 3 -3.479 -8.418 -8.994 17 1HG LYS 3 2HG LYS 3 -2.414 -7.177 -6.871 18 2HG LYS 3 3HG LYS 3 -4.031 -7.354 -6.220 19 1HD LYS 3 2HD LYS 3 -3.603 -9.521 -5.718 20 2HD LYS 3 3HD LYS 3 -3.343 -9.872 -7.415 21 1HE LYS 3 2HE LYS 3 -0.956 -8.685 -6.871 22 2HE LYS 3 3HE LYS 3 -1.328 -9.279 -5.265 23 1HZ LYS 3 1HZ LYS 3 -1.338 -11.438 -6.002 24 2HZ LYS 3 2HZ LYS 3 -1.595 -11.051 -7.567 25 3HZ LYS 3 3HZ LYS 3 -0.129 -10.799 -6.893 26 H ALA 4 HN ALA 4 -2.646 -4.085 -7.951 27 HA ALA 4 HA ALA 4 -0.007 -4.493 -9.048 28 1HB ALA 4 1HB ALA 4 -0.076 -2.250 -9.037 29 2HB ALA 4 2HB ALA 4 -1.650 -2.294 -8.207 30 3HB ALA 4 3HB ALA 4 -0.144 -2.263 -7.259 31 H VAL 5 HN VAL 5 1.924 -4.083 -7.503 32 HA VAL 5 HA VAL 5 1.443 -5.019 -4.808 33 HB VAL 5 HB VAL 5 3.499 -6.655 -5.438 34 1HG1 VAL 5 1HG1 VAL 5 0.833 -6.896 -4.617 35 2HG1 VAL 5 2HG1 VAL 5 0.990 -8.019 -5.989 36 3HG1 VAL 5 3HG1 VAL 5 2.083 -8.163 -4.591 37 1HG2 VAL 5 1HG2 VAL 5 1.724 -6.548 -7.897 38 2HG2 VAL 5 2HG2 VAL 5 3.472 -6.229 -7.809 39 3HG2 VAL 5 3HG2 VAL 5 2.853 -7.874 -7.528 40 H ALA 6 HN ALA 6 3.092 -4.374 -3.367 41 HA ALA 6 HA ALA 6 5.356 -2.974 -4.580 42 1HB ALA 6 1HB ALA 6 4.012 -1.713 -2.221 43 2HB ALA 6 2HB ALA 6 4.890 -0.959 -3.574 44 3HB ALA 6 3HB ALA 6 3.223 -1.538 -3.806 45 H VAL 7 HN VAL 7 7.046 -4.197 -3.875 46 HA VAL 7 HA VAL 7 6.875 -5.509 -1.318 47 HB VAL 7 HB VAL 7 7.817 -6.720 -3.134 48 1HG1 VAL 7 1HG1 VAL 7 10.252 -5.462 -3.774 49 2HG1 VAL 7 2HG1 VAL 7 8.814 -5.634 -4.809 50 3HG1 VAL 7 3HG1 VAL 7 9.022 -4.175 -3.810 51 1HG2 VAL 7 1HG2 VAL 7 8.870 -6.967 -0.869 52 2HG2 VAL 7 2HG2 VAL 7 9.935 -7.407 -2.226 53 3HG2 VAL 7 3HG2 VAL 7 10.147 -5.845 -1.398 54 H LEU 8 HN LEU 8 6.763 -3.791 0.205 55 HA LEU 8 HA LEU 8 8.227 -1.523 0.276 56 1HB LEU 8 2HB LEU 8 7.138 -3.338 2.387 57 2HB LEU 8 3HB LEU 8 8.147 -1.987 2.866 58 HG LEU 8 HG LEU 8 5.518 -1.785 2.737 59 1HD1 LEU 8 1HD1 LEU 8 6.772 0.625 1.576 60 2HD1 LEU 8 2HD1 LEU 8 5.837 0.415 3.076 61 3HD1 LEU 8 3HD1 LEU 8 7.561 -0.026 3.034 62 1HD2 LEU 8 1HD2 LEU 8 4.727 -0.813 0.642 63 2HD2 LEU 8 2HD2 LEU 8 6.325 -1.073 -0.097 64 3HD2 LEU 8 3HD2 LEU 8 5.333 -2.468 0.392 65 H LYS 9 HN LYS 9 10.272 -0.853 1.054 66 HA LYS 9 HA LYS 9 12.116 -2.498 2.282 67 1HB LYS 9 2HB LYS 9 11.766 -3.469 -0.240 68 2HB LYS 9 3HB LYS 9 13.068 -2.329 -0.518 69 1HG LYS 9 2HG LYS 9 14.390 -3.365 1.323 70 2HG LYS 9 3HG LYS 9 13.081 -4.482 1.651 71 1HD LYS 9 2HD LYS 9 13.625 -5.833 -0.116 72 2HD LYS 9 3HD LYS 9 13.885 -4.478 -1.196 73 1HE LYS 9 2HE LYS 9 16.030 -4.258 0.590 74 2HE LYS 9 3HE LYS 9 15.846 -5.992 0.424 75 1HZ LYS 9 1HZ LYS 9 16.314 -5.898 -1.779 76 2HZ LYS 9 2HZ LYS 9 15.774 -4.371 -1.982 77 3HZ LYS 9 3HZ LYS 9 17.221 -4.638 -1.273 78 H GLY 10 HN GLY 10 13.351 -1.022 3.301 79 1HA GLY 10 1HA GLY 10 14.578 1.130 1.848 80 2HA GLY 10 2HA GLY 10 13.285 1.673 2.899 81 H ASP 11 HN ASP 11 13.562 1.707 5.154 82 HA ASP 11 HA ASP 11 15.961 2.098 6.189 83 1HB ASP 11 2HB ASP 11 13.930 2.484 7.473 84 2HB ASP 11 3HB ASP 11 13.534 0.777 7.474 85 H GLY 12 HN GLY 12 14.128 -1.046 6.524 86 1HA GLY 12 1HA GLY 12 16.003 -2.824 5.710 87 2HA GLY 12 2HA GLY 12 16.495 -2.466 7.354 88 HA PRO 13 HA PRO 13 13.148 -4.768 8.946 89 1HB PRO 13 2HB PRO 13 11.723 -3.200 10.671 90 2HB PRO 13 3HB PRO 13 13.268 -3.917 11.083 91 1HG PRO 13 2HG PRO 13 12.651 -1.107 10.404 92 2HG PRO 13 3HG PRO 13 14.062 -1.756 11.216 93 1HD PRO 13 2HD PRO 13 13.900 -0.890 8.486 94 2HD PRO 13 3HD PRO 13 15.275 -1.646 9.265 95 H VAL 14 HN VAL 14 11.867 -1.687 7.863 96 HA VAL 14 HA VAL 14 9.243 -2.585 7.540 97 HB VAL 14 HB VAL 14 10.882 -0.372 6.319 98 1HG1 VAL 14 1HG1 VAL 14 9.389 -0.323 4.632 99 2HG1 VAL 14 2HG1 VAL 14 8.236 -1.375 5.488 100 3HG1 VAL 14 3HG1 VAL 14 8.285 0.369 5.845 101 1HG2 VAL 14 1HG2 VAL 14 8.765 0.703 7.753 102 2HG2 VAL 14 2HG2 VAL 14 9.232 -0.722 8.712 103 3HG2 VAL 14 3HG2 VAL 14 10.441 0.526 8.326 104 H GLN 15 HN GLN 15 9.455 -4.751 6.656 105 HA GLN 15 HA GLN 15 10.037 -4.648 3.798 106 1HB GLN 15 2HB GLN 15 11.692 -5.968 5.257 107 2HB GLN 15 3HB GLN 15 10.391 -7.101 5.566 108 1HG GLN 15 2HG GLN 15 10.286 -6.837 2.793 109 2HG GLN 15 3HG GLN 15 12.005 -6.711 3.109 110 1HE2 GLN 15 1HE2 GLN 15 9.124 -8.632 3.860 111 2HE2 GLN 15 2HE2 GLN 15 9.905 -10.171 3.997 112 H GLY 16 HN GLY 16 7.580 -3.938 4.119 113 1HA GLY 16 1HA GLY 16 5.822 -6.248 4.477 114 2HA GLY 16 2HA GLY 16 5.358 -4.563 4.358 115 H ILE 17 HN ILE 17 3.780 -5.959 2.833 116 HA ILE 17 HA ILE 17 4.763 -5.449 0.146 117 HB ILE 17 HB ILE 17 3.707 -8.119 1.077 118 1HG1 ILE 17 2HG1 ILE 17 6.301 -7.532 -0.359 119 2HG1 ILE 17 3HG1 ILE 17 6.179 -7.501 1.389 120 1HG2 ILE 17 1HG2 ILE 17 2.824 -8.403 -0.938 121 2HG2 ILE 17 2HG2 ILE 17 3.427 -6.819 -1.481 122 3HG2 ILE 17 3HG2 ILE 17 4.458 -8.263 -1.630 123 1HD1 ILE 17 1HD1 ILE 17 6.636 -9.768 -0.182 124 2HD1 ILE 17 2HD1 ILE 17 6.146 -9.770 1.529 125 3HD1 ILE 17 3HD1 ILE 17 4.915 -9.904 0.250 126 H ILE 18 HN ILE 18 3.313 -4.108 -0.768 127 HA ILE 18 HA ILE 18 0.591 -4.171 0.285 128 HB ILE 18 HB ILE 18 0.420 -1.975 -0.232 129 1HG1 ILE 18 2HG1 ILE 18 2.168 -1.008 -2.033 130 2HG1 ILE 18 3HG1 ILE 18 2.079 -2.660 -2.610 131 1HG2 ILE 18 1HG2 ILE 18 2.406 -0.810 0.419 132 2HG2 ILE 18 2HG2 ILE 18 2.344 -2.344 1.320 133 3HG2 ILE 18 3HG2 ILE 18 3.437 -2.174 -0.075 134 1HD1 ILE 18 1HD1 ILE 18 0.087 -2.215 -3.583 135 2HD1 ILE 18 2HD1 ILE 18 -0.604 -1.825 -1.990 136 3HD1 ILE 18 3HD1 ILE 18 0.160 -0.547 -2.965 137 H ASN 19 HN ASN 19 -1.223 -3.919 -1.320 138 HA ASN 19 HA ASN 19 -0.555 -4.979 -3.919 139 1HB ASN 19 2HB ASN 19 -2.963 -6.316 -3.056 140 2HB ASN 19 3HB ASN 19 -1.440 -7.046 -3.523 141 1HD2 ASN 19 1HD2 ASN 19 -0.203 -7.988 -2.053 142 2HD2 ASN 19 2HD2 ASN 19 -0.447 -7.964 -0.338 143 H PHE 20 HN PHE 20 -1.601 -3.568 -5.330 144 HA PHE 20 HA PHE 20 -4.035 -2.269 -4.347 145 1HB PHE 20 2HB PHE 20 -1.767 -1.648 -6.283 146 2HB PHE 20 3HB PHE 20 -3.313 -0.872 -6.564 147 HD1 PHE 20 1HD PHE 20 -2.190 1.304 -6.235 148 HD2 PHE 20 2HD PHE 20 -2.396 -1.574 -3.124 149 HE1 PHE 20 1HE PHE 20 -1.606 3.076 -4.557 150 HE2 PHE 20 2HE PHE 20 -1.812 0.198 -1.445 151 HZ PHE 20 HZ PHE 20 -1.424 2.502 -2.182 152 H GLU 21 HN GLU 21 -5.691 -3.696 -4.910 153 HA GLU 21 HA GLU 21 -5.729 -4.472 -7.719 154 1HB GLU 21 2HB GLU 21 -7.033 -6.380 -7.109 155 2HB GLU 21 3HB GLU 21 -5.754 -6.285 -5.915 156 1HG GLU 21 2HG GLU 21 -7.468 -6.453 -4.404 157 2HG GLU 21 3HG GLU 21 -7.651 -4.733 -4.687 158 H GLN 22 HN GLN 22 -7.348 -3.703 -9.048 159 HA GLN 22 HA GLN 22 -9.508 -2.291 -7.686 160 1HB GLN 22 2HB GLN 22 -7.866 -0.744 -8.782 161 2HB GLN 22 3HB GLN 22 -8.184 -1.516 -10.323 162 1HG GLN 22 2HG GLN 22 -10.747 -0.873 -9.275 163 2HG GLN 22 3HG GLN 22 -9.748 0.524 -8.927 164 1HE2 GLN 22 1HE2 GLN 22 -9.267 1.916 -10.479 165 2HE2 GLN 22 2HE2 GLN 22 -9.611 1.731 -12.167 166 H LYS 23 HN LYS 23 -10.185 -4.780 -7.982 167 HA LYS 23 HA LYS 23 -10.970 -5.530 -10.603 168 1HB LYS 23 2HB LYS 23 -10.982 -6.668 -7.909 169 2HB LYS 23 3HB LYS 23 -12.431 -7.074 -8.806 170 1HG LYS 23 2HG LYS 23 -10.673 -7.547 -10.781 171 2HG LYS 23 3HG LYS 23 -9.556 -7.736 -9.444 172 1HD LYS 23 2HD LYS 23 -10.766 -9.567 -8.518 173 2HD LYS 23 3HD LYS 23 -12.232 -9.164 -9.389 174 1HE LYS 23 2HE LYS 23 -10.715 -9.602 -11.544 175 2HE LYS 23 3HE LYS 23 -9.729 -10.515 -10.419 176 1HZ LYS 23 1HZ LYS 23 -11.869 -11.630 -9.772 177 2HZ LYS 23 2HZ LYS 23 -12.538 -10.965 -11.105 178 3HZ LYS 23 3HZ LYS 23 -11.283 -12.000 -11.251 179 H GLU 24 HN GLU 24 -11.969 -3.249 -10.944 180 HA GLU 24 HA GLU 24 -14.793 -3.624 -10.614 181 1HB GLU 24 2HB GLU 24 -13.252 -1.640 -9.056 182 2HB GLU 24 3HB GLU 24 -14.580 -0.926 -9.949 183 1HG GLU 24 2HG GLU 24 -15.035 -3.459 -8.343 184 2HG GLU 24 3HG GLU 24 -15.006 -1.908 -7.529 185 H SER 25 HN SER 25 -16.057 -2.143 -12.047 186 HA SER 25 HA SER 25 -14.720 -1.840 -14.489 187 1HB SER 25 2HB SER 25 -17.473 -1.173 -13.441 188 2HB SER 25 3HB SER 25 -16.986 -0.535 -14.998 189 HG SER 25 HG SER 25 -16.716 -2.630 -15.812 190 H ASN 26 HN ASN 26 -13.015 -0.412 -13.095 191 HA ASN 26 HA ASN 26 -11.975 1.513 -13.198 192 1HB ASN 26 2HB ASN 26 -14.483 2.941 -14.190 193 2HB ASN 26 3HB ASN 26 -12.817 3.436 -14.410 194 1HD2 ASN 26 1HD2 ASN 26 -14.179 3.446 -16.602 195 2HD2 ASN 26 2HD2 ASN 26 -13.864 2.096 -17.641 196 H GLY 27 HN GLY 27 -13.731 0.469 -11.000 197 1HA GLY 27 1HA GLY 27 -14.936 2.812 -9.775 198 2HA GLY 27 2HA GLY 27 -14.930 1.166 -9.172 199 HA PRO 28 HA PRO 28 -11.899 3.173 -6.580 200 1HB PRO 28 2HB PRO 28 -12.487 1.800 -4.292 201 2HB PRO 28 3HB PRO 28 -13.251 3.317 -4.722 202 1HG PRO 28 2HG PRO 28 -14.363 0.581 -4.851 203 2HG PRO 28 3HG PRO 28 -15.213 2.113 -4.862 204 1HD PRO 28 2HD PRO 28 -14.711 0.413 -7.117 205 2HD PRO 28 3HD PRO 28 -15.458 1.998 -7.145 206 H VAL 29 HN VAL 29 -9.975 2.456 -5.336 207 HA VAL 29 HA VAL 29 -9.116 -0.067 -6.553 208 HB VAL 29 HB VAL 29 -7.576 2.292 -5.455 209 1HG1 VAL 29 1HG1 VAL 29 -5.554 1.198 -5.979 210 2HG1 VAL 29 2HG1 VAL 29 -6.526 -0.029 -5.132 211 3HG1 VAL 29 3HG1 VAL 29 -6.381 -0.078 -6.905 212 1HG2 VAL 29 1HG2 VAL 29 -6.862 2.582 -7.812 213 2HG2 VAL 29 2HG2 VAL 29 -7.962 1.265 -8.287 214 3HG2 VAL 29 3HG2 VAL 29 -8.620 2.769 -7.600 215 H LYS 30 HN LYS 30 -8.932 -1.843 -5.288 216 HA LYS 30 HA LYS 30 -9.404 -1.557 -2.474 217 1HB LYS 30 2HB LYS 30 -9.597 -3.633 -4.484 218 2HB LYS 30 3HB LYS 30 -8.726 -4.225 -3.084 219 1HG LYS 30 2HG LYS 30 -10.587 -3.311 -1.612 220 2HG LYS 30 3HG LYS 30 -11.472 -2.887 -3.064 221 1HD LYS 30 2HD LYS 30 -11.427 -5.291 -3.783 222 2HD LYS 30 3HD LYS 30 -10.564 -5.708 -2.316 223 1HE LYS 30 2HE LYS 30 -12.641 -4.426 -1.161 224 2HE LYS 30 3HE LYS 30 -13.441 -4.871 -2.656 225 1HZ LYS 30 1HZ LYS 30 -13.298 -6.481 -0.615 226 2HZ LYS 30 2HZ LYS 30 -13.325 -7.044 -2.148 227 3HZ LYS 30 3HZ LYS 30 -11.909 -6.936 -1.342 228 H VAL 31 HN VAL 31 -7.618 -0.378 -1.660 229 HA VAL 31 HA VAL 31 -4.977 -1.458 -2.138 230 HB VAL 31 HB VAL 31 -6.071 0.932 -0.658 231 1HG1 VAL 31 1HG1 VAL 31 -3.462 -0.389 -0.375 232 2HG1 VAL 31 2HG1 VAL 31 -3.345 1.333 -0.810 233 3HG1 VAL 31 3HG1 VAL 31 -4.244 0.842 0.646 234 1HG2 VAL 31 1HG2 VAL 31 -5.262 2.225 -2.416 235 2HG2 VAL 31 2HG2 VAL 31 -4.119 0.971 -2.952 236 3HG2 VAL 31 3HG2 VAL 31 -5.862 0.772 -3.251 237 H TRP 32 HN TRP 32 -3.912 -2.847 -0.806 238 HA TRP 32 HA TRP 32 -4.563 -2.956 1.985 239 1HB TRP 32 2HB TRP 32 -5.902 -4.706 2.069 240 2HB TRP 32 3HB TRP 32 -6.111 -4.554 0.335 241 HD1 TRP 32 HD1 TRP 32 -3.801 -6.482 2.819 242 HE1 TRP 32 HE1 TRP 32 -3.018 -8.773 1.770 243 HE3 TRP 32 HE3 TRP 32 -5.939 -5.731 -1.733 244 HZ2 TRP 32 HZ2 TRP 32 -3.373 -9.987 -0.788 245 HZ3 TRP 32 HZ3 TRP 32 -5.674 -7.518 -3.450 246 HH2 TRP 32 HH2 TRP 32 -4.443 -9.589 -3.037 247 H GLY 33 HN GLY 33 -3.056 -4.641 3.053 248 1HA GLY 33 1HA GLY 33 -1.028 -6.000 1.875 249 2HA GLY 33 2HA GLY 33 -0.438 -4.349 1.883 250 H SER 34 HN SER 34 1.258 -5.190 3.377 251 HA SER 34 HA SER 34 0.390 -4.785 6.065 252 1HB SER 34 2HB SER 34 1.397 -6.900 6.924 253 2HB SER 34 3HB SER 34 0.006 -7.191 5.900 254 HG SER 34 HG SER 34 2.407 -8.262 5.618 255 H ILE 35 HN ILE 35 1.960 -3.564 7.068 256 HA ILE 35 HA ILE 35 4.633 -3.644 5.853 257 HB ILE 35 HB ILE 35 2.937 -1.434 6.919 258 1HG1 ILE 35 2HG1 ILE 35 4.907 -1.271 4.658 259 2HG1 ILE 35 3HG1 ILE 35 3.401 -2.138 4.425 260 1HG2 ILE 35 1HG2 ILE 35 5.414 -0.254 6.672 261 2HG2 ILE 35 2HG2 ILE 35 4.589 -0.649 8.199 262 3HG2 ILE 35 3HG2 ILE 35 5.782 -1.779 7.514 263 1HD1 ILE 35 1HD1 ILE 35 2.188 -0.064 5.328 264 2HD1 ILE 35 2HD1 ILE 35 3.750 0.782 5.219 265 3HD1 ILE 35 3HD1 ILE 35 2.985 0.134 3.748 266 H LYS 36 HN LYS 36 5.985 -4.872 7.050 267 HA LYS 36 HA LYS 36 5.663 -4.708 9.966 268 1HB LYS 36 2HB LYS 36 6.573 -6.949 10.092 269 2HB LYS 36 3HB LYS 36 5.173 -6.931 9.040 270 1HG LYS 36 2HG LYS 36 6.818 -6.659 7.067 271 2HG LYS 36 3HG LYS 36 8.104 -7.005 8.205 272 1HD LYS 36 2HD LYS 36 7.567 -9.118 7.225 273 2HD LYS 36 3HD LYS 36 6.830 -9.159 8.815 274 1HE LYS 36 2HE LYS 36 4.628 -8.700 7.916 275 2HE LYS 36 3HE LYS 36 5.279 -8.256 6.351 276 1HZ LYS 36 1HZ LYS 36 4.615 -10.801 7.303 277 2HZ LYS 36 2HZ LYS 36 5.042 -10.356 5.791 278 3HZ LYS 36 3HZ LYS 36 6.189 -10.789 6.869 279 H GLY 37 HN GLY 37 7.158 -3.443 10.917 280 1HA GLY 37 1HA GLY 37 9.858 -3.786 10.821 281 2HA GLY 37 2HA GLY 37 9.540 -2.671 9.507 282 H LEU 38 HN LEU 38 7.079 -1.560 10.930 283 HA LEU 38 HA LEU 38 8.545 0.364 12.507 284 1HB LEU 38 2HB LEU 38 5.753 0.869 12.509 285 2HB LEU 38 3HB LEU 38 7.041 1.757 11.718 286 HG LEU 38 HG LEU 38 5.409 1.211 10.072 287 1HD1 LEU 38 1HD1 LEU 38 7.147 -0.897 9.130 288 2HD1 LEU 38 2HD1 LEU 38 6.961 0.775 8.547 289 3HD1 LEU 38 3HD1 LEU 38 8.091 0.415 9.875 290 1HD2 LEU 38 1HD2 LEU 38 4.055 -0.518 10.419 291 2HD2 LEU 38 2HD2 LEU 38 5.353 -1.565 9.796 292 3HD2 LEU 38 3HD2 LEU 38 5.202 -1.280 11.547 293 H THR 39 HN THR 39 6.406 1.079 14.317 294 HA THR 39 HA THR 39 6.307 -1.325 16.015 295 HB THR 39 HB THR 39 6.762 0.249 17.937 296 HG1 THR 39 1HG THR 39 7.608 2.400 17.061 297 1HG2 THR 39 1HG2 THR 39 9.035 0.053 17.674 298 2HG2 THR 39 2HG2 THR 39 8.662 -0.725 16.117 299 3HG2 THR 39 3HG2 THR 39 9.015 1.019 16.179 300 H GLU 40 HN GLU 40 4.547 -1.363 17.586 301 HA GLU 40 HA GLU 40 2.157 -0.749 16.377 302 1HB GLU 40 2HB GLU 40 2.204 -2.491 18.013 303 2HB GLU 40 3HB GLU 40 2.913 -1.451 19.232 304 1HG GLU 40 2HG GLU 40 0.271 -0.565 18.125 305 2HG GLU 40 3HG GLU 40 0.244 -2.015 19.109 306 H GLY 41 HN GLY 41 0.562 0.887 16.729 307 1HA GLY 41 1HA GLY 41 -0.017 2.767 18.281 308 2HA GLY 41 2HA GLY 41 1.630 3.315 18.038 309 H LEU 42 HN LEU 42 -0.161 5.176 17.381 310 HA LEU 42 HA LEU 42 -1.381 5.039 14.908 311 1HB LEU 42 2HB LEU 42 -0.354 7.274 16.622 312 2HB LEU 42 3HB LEU 42 -0.999 7.612 15.028 313 HG LEU 42 HG LEU 42 -3.113 6.388 15.751 314 1HD1 LEU 42 1HD1 LEU 42 -1.697 6.546 18.414 315 2HD1 LEU 42 2HD1 LEU 42 -3.465 6.408 18.267 316 3HD1 LEU 42 3HD1 LEU 42 -2.415 5.126 17.617 317 1HD2 LEU 42 1HD2 LEU 42 -2.405 8.912 17.270 318 2HD2 LEU 42 2HD2 LEU 42 -2.909 8.845 15.564 319 3HD2 LEU 42 3HD2 LEU 42 -4.035 8.336 16.845 320 H HIS 43 HN HIS 43 -0.750 6.178 12.861 321 HA HIS 43 HA HIS 43 2.060 6.565 12.465 322 1HB HIS 43 2HB HIS 43 0.685 4.083 11.577 323 2HB HIS 43 3HB HIS 43 1.726 4.855 10.398 324 HD1 HIS 43 HD1 HIS 43 3.904 5.868 12.530 325 HD2 HIS 43 HD2 HIS 43 2.400 1.969 12.161 326 HE1 HIS 43 HE1 HIS 43 5.662 4.324 13.547 327 H GLY 44 HN GLY 44 2.468 7.277 10.113 328 1HA GLY 44 1HA GLY 44 0.383 9.150 9.406 329 2HA GLY 44 2HA GLY 44 1.983 9.006 8.705 330 H PHE 45 HN PHE 45 1.687 8.737 6.522 331 HA PHE 45 HA PHE 45 0.539 6.308 5.620 332 1HB PHE 45 2HB PHE 45 -1.084 8.736 5.863 333 2HB PHE 45 3HB PHE 45 -0.879 8.375 4.160 334 HD1 PHE 45 1HD PHE 45 -2.946 7.848 6.877 335 HD2 PHE 45 2HD PHE 45 -1.212 5.738 3.629 336 HE1 PHE 45 1HE PHE 45 -4.768 6.128 7.021 337 HE2 PHE 45 2HE PHE 45 -3.034 4.018 3.773 338 HZ PHE 45 HZ PHE 45 -4.791 4.234 5.467 339 H HIS 46 HN HIS 46 0.907 5.971 3.303 340 HA HIS 46 HA HIS 46 3.310 6.927 2.433 341 1HB HIS 46 2HB HIS 46 2.680 6.018 0.237 342 2HB HIS 46 3HB HIS 46 2.317 4.918 1.552 343 HD1 HIS 46 HD1 HIS 46 0.863 4.605 -1.143 344 HD2 HIS 46 HD2 HIS 46 -0.630 6.862 2.061 345 HE1 HIS 46 HE1 HIS 46 -1.661 4.750 -1.486 346 H VAL 47 HN VAL 47 3.512 8.105 0.121 347 HA VAL 47 HA VAL 47 3.433 10.034 -0.951 348 HB VAL 47 HB VAL 47 0.628 10.576 -0.099 349 1HG1 VAL 47 1HG1 VAL 47 1.496 12.051 -1.742 350 2HG1 VAL 47 2HG1 VAL 47 2.198 10.714 -2.685 351 3HG1 VAL 47 3HG1 VAL 47 0.431 10.923 -2.616 352 1HG2 VAL 47 1HG2 VAL 47 0.352 8.260 -0.272 353 2HG2 VAL 47 2HG2 VAL 47 -0.063 8.847 -1.901 354 3HG2 VAL 47 3HG2 VAL 47 1.532 8.118 -1.597 355 H HIS 48 HN HIS 48 4.973 11.053 0.414 356 HA HIS 48 HA HIS 48 4.112 13.414 1.573 357 1HB HIS 48 2HB HIS 48 4.508 12.997 3.952 358 2HB HIS 48 3HB HIS 48 3.151 12.071 3.341 359 HD1 HIS 48 HD1 HIS 48 3.668 9.439 2.841 360 HD2 HIS 48 HD2 HIS 48 6.476 11.502 5.178 361 HE1 HIS 48 HE1 HIS 48 5.063 7.658 4.022 362 H GLU 49 HN GLU 49 5.866 13.753 -0.054 363 HA GLU 49 HA GLU 49 8.473 12.964 0.904 364 1HB GLU 49 2HB GLU 49 9.183 14.076 -1.331 365 2HB GLU 49 3HB GLU 49 8.280 12.577 -1.416 366 1HG GLU 49 2HG GLU 49 6.620 15.064 -1.342 367 2HG GLU 49 3HG GLU 49 7.596 14.859 -2.783 368 H GLU 50 HN GLU 50 8.991 14.296 2.653 369 HA GLU 50 HA GLU 50 8.389 17.066 2.538 370 1HB GLU 50 2HB GLU 50 8.783 15.295 4.580 371 2HB GLU 50 3HB GLU 50 10.364 16.049 4.540 372 1HG GLU 50 2HG GLU 50 7.856 17.761 4.504 373 2HG GLU 50 3HG GLU 50 8.465 17.123 6.018 374 H GLU 51 HN GLU 51 11.577 15.400 3.097 375 HA GLU 51 HA GLU 51 12.718 17.073 1.047 376 1HB GLU 51 2HB GLU 51 13.154 17.463 3.952 377 2HB GLU 51 3HB GLU 51 14.642 17.316 3.038 378 1HG GLU 51 2HG GLU 51 13.821 19.090 1.452 379 2HG GLU 51 3HG GLU 51 12.365 19.257 2.415 380 H ASP 52 HN ASP 52 15.433 16.496 1.459 381 HA ASP 52 HA ASP 52 16.964 14.956 1.311 382 1HB ASP 52 2HB ASP 52 15.004 12.787 2.150 383 2HB ASP 52 3HB ASP 52 16.746 12.791 2.344 384 H ASN 53 HN ASN 53 17.482 14.439 -0.819 385 HA ASN 53 HA ASN 53 15.388 13.249 -2.425 386 1HB ASN 53 2HB ASN 53 18.042 14.607 -3.101 387 2HB ASN 53 3HB ASN 53 17.096 13.774 -4.319 388 1HD2 ASN 53 1HD2 ASN 53 16.356 15.363 -5.546 389 2HD2 ASN 53 2HD2 ASN 53 15.388 16.700 -5.021 390 H THR 54 HN THR 54 16.407 11.439 -0.578 391 HA THR 54 HA THR 54 18.367 9.865 -2.115 392 HB THR 54 HB THR 54 19.337 10.505 -0.001 393 HG1 THR 54 1HG THR 54 19.223 8.338 1.062 394 1HG2 THR 54 1HG2 THR 54 18.164 10.100 2.161 395 2HG2 THR 54 2HG2 THR 54 17.247 11.258 1.168 396 3HG2 THR 54 3HG2 THR 54 16.715 9.563 1.278 397 H ALA 55 HN ALA 55 17.598 8.137 -3.138 398 HA ALA 55 HA ALA 55 16.143 6.142 -2.016 399 1HB ALA 55 1HB ALA 55 14.028 6.863 -1.801 400 2HB ALA 55 2HB ALA 55 14.481 8.454 -2.460 401 3HB ALA 55 3HB ALA 55 13.967 7.150 -3.557 402 H GLY 56 HN GLY 56 16.846 4.547 -3.338 403 1HA GLY 56 1HA GLY 56 17.243 5.179 -6.180 404 2HA GLY 56 2HA GLY 56 17.967 3.860 -5.282 405 H CYS 57 HN CYS 57 14.666 5.112 -6.167 406 HA CYS 57 HA CYS 57 13.957 2.329 -6.744 407 1HB CYS 57 2HB CYS 57 12.159 4.418 -5.495 408 2HB CYS 57 3HB CYS 57 11.671 2.808 -5.986 409 H THR 58 HN THR 58 12.964 5.810 -7.179 410 HA THR 58 HA THR 58 12.839 5.344 -10.055 411 HB THR 58 HB THR 58 10.545 6.229 -10.176 412 HG1 THR 58 1HG THR 58 9.878 7.370 -8.397 413 1HG2 THR 58 1HG2 THR 58 10.982 3.724 -9.319 414 2HG2 THR 58 2HG2 THR 58 10.331 4.372 -7.794 415 3HG2 THR 58 3HG2 THR 58 9.343 4.416 -9.274 416 H SER 59 HN SER 59 12.044 7.862 -7.560 417 HA SER 59 HA SER 59 12.670 9.930 -7.365 418 1HB SER 59 2HB SER 59 15.088 8.558 -8.305 419 2HB SER 59 3HB SER 59 15.095 10.247 -8.770 420 HG SER 59 HG SER 59 14.798 9.167 -6.102 421 H ALA 60 HN ALA 60 11.274 11.264 -8.487 422 HA ALA 60 HA ALA 60 11.963 11.783 -11.292 423 1HB ALA 60 1HB ALA 60 9.697 11.655 -11.951 424 2HB ALA 60 2HB ALA 60 9.920 10.242 -10.892 425 3HB ALA 60 3HB ALA 60 9.112 11.701 -10.271 426 H GLY 61 HN GLY 61 9.685 12.941 -8.699 427 1HA GLY 61 1HA GLY 61 11.057 15.434 -8.426 428 2HA GLY 61 2HA GLY 61 9.616 15.590 -9.411 429 HA PRO 62 HA PRO 62 8.348 14.278 -5.012 430 1HB PRO 62 2HB PRO 62 10.177 14.595 -3.007 431 2HB PRO 62 3HB PRO 62 9.879 13.060 -3.798 432 1HG PRO 62 2HG PRO 62 12.169 14.901 -4.125 433 2HG PRO 62 3HG PRO 62 12.051 13.208 -4.562 434 1HD PRO 62 2HD PRO 62 11.907 15.453 -6.341 435 2HD PRO 62 3HD PRO 62 11.673 13.768 -6.759 436 H HIS 63 HN HIS 63 6.876 15.895 -5.051 437 HA HIS 63 HA HIS 63 7.601 18.125 -3.399 438 1HB HIS 63 2HB HIS 63 8.108 18.425 -6.081 439 2HB HIS 63 3HB HIS 63 6.477 19.055 -5.963 440 HD1 HIS 63 HD1 HIS 63 9.110 20.783 -6.520 441 HD2 HIS 63 HD2 HIS 63 7.109 20.427 -2.851 442 HE1 HIS 63 HE1 HIS 63 9.723 22.858 -5.167 443 H PHE 64 HN PHE 64 5.814 15.890 -3.122 444 HA PHE 64 HA PHE 64 3.722 15.397 -2.625 445 1HB PHE 64 2HB PHE 64 3.582 18.466 -2.421 446 2HB PHE 64 3HB PHE 64 2.372 17.394 -1.743 447 HD1 PHE 64 1HD PHE 64 2.903 15.999 0.212 448 HD2 PHE 64 2HD PHE 64 5.715 18.771 -1.343 449 HE1 PHE 64 1HE PHE 64 4.223 15.856 2.342 450 HE2 PHE 64 2HE PHE 64 7.034 18.628 0.787 451 HZ PHE 64 HZ PHE 64 6.273 17.172 2.604 452 H ASN 65 HN ASN 65 1.212 16.296 -3.065 453 HA ASN 65 HA ASN 65 1.188 16.647 -5.959 454 1HB ASN 65 2HB ASN 65 -0.756 15.214 -4.079 455 2HB ASN 65 3HB ASN 65 -1.153 15.561 -5.750 456 1HD2 ASN 65 1HD2 ASN 65 -0.261 13.179 -3.847 457 2HD2 ASN 65 2HD2 ASN 65 0.747 12.215 -4.875 458 HA PRO 66 HA PRO 66 -0.973 20.345 -4.904 459 1HB PRO 66 2HB PRO 66 -1.521 21.232 -7.430 460 2HB PRO 66 3HB PRO 66 0.012 21.510 -6.628 461 1HG PRO 66 2HG PRO 66 -0.629 19.599 -8.790 462 2HG PRO 66 3HG PRO 66 0.938 20.191 -8.277 463 1HD PRO 66 2HD PRO 66 -0.199 17.623 -7.697 464 2HD PRO 66 3HD PRO 66 1.316 18.259 -7.090 465 H LEU 67 HN LEU 67 -2.635 19.117 -3.805 466 HA LEU 67 HA LEU 67 -5.133 19.788 -4.778 467 1HB LEU 67 2HB LEU 67 -4.181 17.759 -6.312 468 2HB LEU 67 3HB LEU 67 -4.998 16.854 -5.054 469 HG LEU 67 HG LEU 67 -6.601 17.093 -6.732 470 1HD1 LEU 67 1HD1 LEU 67 -6.963 18.993 -4.459 471 2HD1 LEU 67 2HD1 LEU 67 -8.154 19.021 -5.782 472 3HD1 LEU 67 3HD1 LEU 67 -7.862 17.515 -4.879 473 1HD2 LEU 67 1HD2 LEU 67 -7.142 19.488 -7.623 474 2HD2 LEU 67 2HD2 LEU 67 -5.487 19.857 -7.082 475 3HD2 LEU 67 3HD2 LEU 67 -5.765 18.576 -8.287 476 H SER 68 HN SER 68 -3.191 17.330 -2.991 477 HA SER 68 HA SER 68 -5.061 16.591 -1.171 478 1HB SER 68 2HB SER 68 -3.285 15.692 0.066 479 2HB SER 68 3HB SER 68 -2.583 15.824 -1.534 480 HG SER 68 HG SER 68 -2.202 17.598 0.715 481 H ARG 69 HN ARG 69 -3.400 19.668 -1.542 482 HA ARG 69 HA ARG 69 -3.722 21.587 -0.583 483 1HB ARG 69 2HB ARG 69 -6.055 20.130 0.302 484 2HB ARG 69 3HB ARG 69 -5.473 21.065 1.665 485 1HG ARG 69 2HG ARG 69 -5.259 22.962 -0.287 486 2HG ARG 69 3HG ARG 69 -6.569 22.012 -0.961 487 1HD ARG 69 2HD ARG 69 -7.494 22.169 1.576 488 2HD ARG 69 3HD ARG 69 -6.502 23.613 1.592 489 HE ARG 69 HE ARG 69 -9.005 23.269 0.176 490 1HH1 ARG 69 2HH2 ARG 69 -5.891 24.895 -0.021 491 2HH1 ARG 69 1HH2 ARG 69 -6.483 26.185 -1.014 492 1HH2 ARG 69 2HH1 ARG 69 -9.787 24.969 -1.134 493 2HH2 ARG 69 1HH1 ARG 69 -8.715 26.227 -1.652 494 H LYS 70 HN LYS 70 -4.139 19.174 2.125 495 HA LYS 70 HA LYS 70 -1.556 19.435 3.107 496 1HB LYS 70 2HB LYS 70 -1.864 20.859 5.059 497 2HB LYS 70 3HB LYS 70 -2.136 21.760 3.581 498 1HG LYS 70 2HG LYS 70 -4.660 21.193 3.905 499 2HG LYS 70 3HG LYS 70 -4.223 20.703 5.529 500 1HD LYS 70 2HD LYS 70 -3.477 22.911 6.118 501 2HD LYS 70 3HD LYS 70 -3.416 23.429 4.445 502 1HE LYS 70 2HE LYS 70 -6.050 22.757 4.572 503 2HE LYS 70 3HE LYS 70 -5.793 23.143 6.262 504 1HZ LYS 70 1HZ LYS 70 -6.250 24.930 4.322 505 2HZ LYS 70 2HZ LYS 70 -5.603 25.283 5.779 506 3HZ LYS 70 3HZ LYS 70 -4.630 25.043 4.490 507 H HIS 71 HN HIS 71 -2.199 19.163 5.933 508 HA HIS 71 HA HIS 71 -2.666 16.489 6.070 509 1HB HIS 71 2HB HIS 71 -1.704 17.625 7.914 510 2HB HIS 71 3HB HIS 71 -3.073 18.708 8.076 511 HD1 HIS 71 HD1 HIS 71 -3.847 18.121 10.414 512 HD2 HIS 71 HD2 HIS 71 -3.391 14.748 7.961 513 HE1 HIS 71 HE1 HIS 71 -4.790 16.148 11.728 514 H GLY 72 HN GLY 72 -4.373 15.556 4.984 515 1HA GLY 72 1HA GLY 72 -6.952 16.698 4.823 516 2HA GLY 72 2HA GLY 72 -6.494 15.053 4.429 517 H GLY 73 HN GLY 73 -8.855 16.286 5.978 518 1HA GLY 73 1HA GLY 73 -9.988 14.718 7.492 519 2HA GLY 73 2HA GLY 73 -8.519 14.688 8.447 520 HA PRO 74 HA PRO 74 -10.549 17.939 10.590 521 1HB PRO 74 2HB PRO 74 -8.901 17.987 12.769 522 2HB PRO 74 3HB PRO 74 -10.275 16.909 12.631 523 1HG PRO 74 2HG PRO 74 -7.397 16.290 12.356 524 2HG PRO 74 3HG PRO 74 -8.733 15.193 12.643 525 1HD PRO 74 2HD PRO 74 -7.357 15.608 10.162 526 2HD PRO 74 3HD PRO 74 -8.765 14.599 10.422 527 H LYS 75 HN LYS 75 -9.282 18.792 8.406 528 HA LYS 75 HA LYS 75 -8.694 21.348 8.885 529 1HB LYS 75 2HB LYS 75 -6.489 19.689 9.874 530 2HB LYS 75 3HB LYS 75 -5.965 20.887 8.708 531 1HG LYS 75 2HG LYS 75 -6.482 22.664 10.086 532 2HG LYS 75 3HG LYS 75 -7.919 21.891 10.727 533 1HD LYS 75 2HD LYS 75 -6.762 20.817 12.432 534 2HD LYS 75 3HD LYS 75 -5.303 20.633 11.480 535 1HE LYS 75 2HE LYS 75 -4.431 22.415 12.582 536 2HE LYS 75 3HE LYS 75 -5.603 23.433 11.769 537 1HZ LYS 75 1HZ LYS 75 -5.575 22.536 14.462 538 2HZ LYS 75 2HZ LYS 75 -6.370 23.798 13.796 539 3HZ LYS 75 3HZ LYS 75 -7.027 22.304 13.751 540 H ASP 76 HN ASP 76 -9.852 19.741 6.907 541 HA ASP 76 HA ASP 76 -9.201 20.859 4.648 542 1HB ASP 76 2HB ASP 76 -6.920 20.250 4.533 543 2HB ASP 76 3HB ASP 76 -7.203 18.666 5.228 544 H GLU 77 HN GLU 77 -10.860 20.150 3.273 545 HA GLU 77 HA GLU 77 -11.952 17.525 3.881 546 1HB GLU 77 2HB GLU 77 -13.570 19.308 4.155 547 2HB GLU 77 3HB GLU 77 -13.168 20.003 2.598 548 1HG GLU 77 2HG GLU 77 -14.019 17.140 2.520 549 2HG GLU 77 3HG GLU 77 -15.262 18.269 3.021 550 H GLU 78 HN GLU 78 -9.736 18.831 1.838 551 HA GLU 78 HA GLU 78 -10.752 17.734 -0.601 552 1HB GLU 78 2HB GLU 78 -8.138 19.088 0.166 553 2HB GLU 78 3HB GLU 78 -8.407 18.424 -1.433 554 1HG GLU 78 2HG GLU 78 -8.965 20.832 -1.395 555 2HG GLU 78 3HG GLU 78 -10.396 19.878 -1.735 556 H ARG 79 HN ARG 79 -7.341 17.312 0.341 557 HA ARG 79 HA ARG 79 -6.070 15.550 0.246 558 1HB ARG 79 2HB ARG 79 -6.537 13.817 1.919 559 2HB ARG 79 3HB ARG 79 -7.059 15.363 2.557 560 1HG ARG 79 2HG ARG 79 -9.378 14.883 2.139 561 2HG ARG 79 3HG ARG 79 -8.995 13.545 1.074 562 1HD ARG 79 2HD ARG 79 -8.572 12.077 2.826 563 2HD ARG 79 3HD ARG 79 -7.937 13.331 3.873 564 HE ARG 79 HE ARG 79 -10.113 13.772 4.660 565 1HH1 ARG 79 2HH2 ARG 79 -10.264 11.692 1.826 566 2HH1 ARG 79 1HH2 ARG 79 -11.949 11.341 2.015 567 1HH2 ARG 79 2HH1 ARG 79 -12.336 13.308 4.911 568 2HH2 ARG 79 1HH1 ARG 79 -13.136 12.266 3.782 569 H HIS 80 HN HIS 80 -6.518 12.722 0.281 570 HA HIS 80 HA HIS 80 -7.265 10.999 -0.894 571 1HB HIS 80 2HB HIS 80 -9.482 12.430 -0.943 572 2HB HIS 80 3HB HIS 80 -9.060 12.665 -2.628 573 HD1 HIS 80 HD1 HIS 80 -10.362 10.117 -0.229 574 HD2 HIS 80 HD2 HIS 80 -9.107 10.278 -4.228 575 HE1 HIS 80 HE1 HIS 80 -11.168 7.955 -1.318 576 H VAL 81 HN VAL 81 -5.494 13.597 -1.819 577 HA VAL 81 HA VAL 81 -4.930 12.444 -4.464 578 HB VAL 81 HB VAL 81 -4.349 15.261 -3.553 579 1HG1 VAL 81 1HG1 VAL 81 -3.451 13.814 -5.745 580 2HG1 VAL 81 2HG1 VAL 81 -4.809 14.760 -6.399 581 3HG1 VAL 81 3HG1 VAL 81 -3.460 15.587 -5.585 582 1HG2 VAL 81 1HG2 VAL 81 -6.494 15.212 -5.434 583 2HG2 VAL 81 2HG2 VAL 81 -6.912 14.114 -4.096 584 3HG2 VAL 81 3HG2 VAL 81 -6.498 15.812 -3.758 585 H GLY 82 HN GLY 82 -3.903 12.735 -1.240 586 1HA GLY 82 1HA GLY 82 -1.361 11.579 -1.828 587 2HA GLY 82 2HA GLY 82 -1.204 13.255 -1.341 588 H ASP 83 HN ASP 83 -2.587 13.879 0.707 589 HA ASP 83 HA ASP 83 -1.804 12.014 2.708 590 1HB ASP 83 2HB ASP 83 -2.045 14.756 2.603 591 2HB ASP 83 3HB ASP 83 -3.534 14.343 3.430 592 H LEU 84 HN LEU 84 -3.390 11.233 4.411 593 HA LEU 84 HA LEU 84 -6.171 11.257 3.521 594 1HB LEU 84 2HB LEU 84 -4.405 9.043 3.254 595 2HB LEU 84 3HB LEU 84 -5.542 8.662 4.532 596 HG LEU 84 HG LEU 84 -6.369 7.825 2.430 597 1HD1 LEU 84 1HD1 LEU 84 -8.564 9.069 2.294 598 2HD1 LEU 84 2HD1 LEU 84 -8.101 8.480 3.908 599 3HD1 LEU 84 3HD1 LEU 84 -7.903 10.201 3.498 600 1HD2 LEU 84 1HD2 LEU 84 -6.658 9.046 0.465 601 2HD2 LEU 84 2HD2 LEU 84 -6.539 10.613 1.302 602 3HD2 LEU 84 3HD2 LEU 84 -5.086 9.608 1.084 603 H GLY 85 HN GLY 85 -4.231 9.562 6.078 604 1HA GLY 85 1HA GLY 85 -5.199 11.331 8.131 605 2HA GLY 85 2HA GLY 85 -5.996 9.770 8.133 606 H ASN 86 HN ASN 86 -5.069 8.215 9.388 607 HA ASN 86 HA ASN 86 -2.201 8.074 9.446 608 1HB ASN 86 2HB ASN 86 -3.906 8.921 11.768 609 2HB ASN 86 3HB ASN 86 -2.688 7.716 12.135 610 1HD2 ASN 86 1HD2 ASN 86 -0.973 8.606 12.972 611 2HD2 ASN 86 2HD2 ASN 86 -0.191 10.067 12.471 612 H VAL 87 HN VAL 87 -1.490 5.902 10.140 613 HA VAL 87 HA VAL 87 -3.716 3.989 10.267 614 HB VAL 87 HB VAL 87 -2.295 2.411 9.190 615 1HG1 VAL 87 1HG1 VAL 87 -2.226 5.133 7.859 616 2HG1 VAL 87 2HG1 VAL 87 -1.750 3.627 7.038 617 3HG1 VAL 87 3HG1 VAL 87 -3.416 3.829 7.632 618 1HG2 VAL 87 1HG2 VAL 87 0.030 3.192 8.396 619 2HG2 VAL 87 2HG2 VAL 87 -0.114 4.449 9.648 620 3HG2 VAL 87 3HG2 VAL 87 -0.156 2.729 10.104 621 H THR 88 HN THR 88 -2.352 1.745 11.172 622 HA THR 88 HA THR 88 -0.811 2.436 13.502 623 HB THR 88 HB THR 88 -3.725 1.543 13.654 624 HG1 THR 88 1HG THR 88 -3.777 3.572 14.570 625 1HG2 THR 88 1HG2 THR 88 -3.436 0.970 15.964 626 2HG2 THR 88 2HG2 THR 88 -2.103 0.121 15.143 627 3HG2 THR 88 3HG2 THR 88 -1.790 1.646 16.007 628 H ALA 89 HN ALA 89 0.334 0.685 14.357 629 HA ALA 89 HA ALA 89 0.478 -1.543 12.521 630 1HB ALA 89 1HB ALA 89 2.638 -1.186 13.058 631 2HB ALA 89 2HB ALA 89 2.200 -0.186 14.464 632 3HB ALA 89 3HB ALA 89 2.274 -1.958 14.620 633 H ASP 90 HN ASP 90 0.891 -3.793 13.710 634 HA ASP 90 HA ASP 90 -1.535 -4.244 15.150 635 1HB ASP 90 2HB ASP 90 -1.004 -5.902 13.512 636 2HB ASP 90 3HB ASP 90 0.672 -5.993 14.017 637 H LYS 91 HN LYS 91 1.393 -6.173 15.797 638 HA LYS 91 HA LYS 91 1.732 -4.881 18.393 639 1HB LYS 91 2HB LYS 91 1.593 -6.927 19.609 640 2HB LYS 91 3HB LYS 91 0.130 -6.781 18.655 641 1HG LYS 91 2HG LYS 91 1.198 -8.254 16.886 642 2HG LYS 91 3HG LYS 91 2.575 -8.472 17.947 643 1HD LYS 91 2HD LYS 91 -0.166 -9.037 19.072 644 2HD LYS 91 3HD LYS 91 0.504 -10.194 17.940 645 1HE LYS 91 2HE LYS 91 1.953 -11.009 19.494 646 2HE LYS 91 3HE LYS 91 2.532 -9.404 19.896 647 1HZ LYS 91 1HZ LYS 91 1.452 -10.446 21.756 648 2HZ LYS 91 2HZ LYS 91 0.608 -9.123 21.303 649 3HZ LYS 91 3HZ LYS 91 0.058 -10.613 20.922 650 H ASP 92 HN ASP 92 3.061 -5.373 15.547 651 HA ASP 92 HA ASP 92 5.670 -5.588 16.692 652 1HB ASP 92 2HB ASP 92 4.439 -7.873 15.471 653 2HB ASP 92 3HB ASP 92 5.631 -7.286 14.329 654 H GLY 93 HN GLY 93 3.790 -3.690 15.191 655 1HA GLY 93 1HA GLY 93 4.329 -1.946 13.793 656 2HA GLY 93 2HA GLY 93 5.703 -2.839 13.172 657 H VAL 94 HN VAL 94 4.062 -5.344 12.725 658 HA VAL 94 HA VAL 94 3.517 -5.106 10.091 659 HB VAL 94 HB VAL 94 1.935 -6.810 12.019 660 1HG1 VAL 94 1HG1 VAL 94 2.809 -8.059 9.545 661 2HG1 VAL 94 2HG1 VAL 94 1.171 -7.902 10.225 662 3HG1 VAL 94 3HG1 VAL 94 1.850 -6.594 9.227 663 1HG2 VAL 94 1HG2 VAL 94 3.990 -8.408 11.207 664 2HG2 VAL 94 2HG2 VAL 94 4.813 -6.836 11.339 665 3HG2 VAL 94 3HG2 VAL 94 3.955 -7.512 12.744 666 H ALA 95 HN ALA 95 2.502 -3.215 9.398 667 HA ALA 95 HA ALA 95 -0.157 -2.696 10.501 668 1HB ALA 95 1HB ALA 95 0.457 -0.543 10.328 669 2HB ALA 95 2HB ALA 95 2.054 -1.068 9.742 670 3HB ALA 95 3HB ALA 95 0.744 -0.740 8.582 671 H ASP 96 HN ASP 96 -1.838 -3.615 9.446 672 HA ASP 96 HA ASP 96 -1.422 -4.419 6.719 673 1HB ASP 96 2HB ASP 96 -3.401 -5.734 6.983 674 2HB ASP 96 3HB ASP 96 -2.564 -5.850 8.518 675 H VAL 97 HN VAL 97 -2.873 -3.697 4.967 676 HA VAL 97 HA VAL 97 -4.328 -1.230 5.633 677 HB VAL 97 HB VAL 97 -2.916 -1.905 3.047 678 1HG1 VAL 97 1HG1 VAL 97 -3.348 0.351 2.393 679 2HG1 VAL 97 2HG1 VAL 97 -4.889 -0.325 2.973 680 3HG1 VAL 97 3HG1 VAL 97 -3.953 0.775 4.013 681 1HG2 VAL 97 1HG2 VAL 97 -1.886 -0.821 5.568 682 2HG2 VAL 97 2HG2 VAL 97 -1.016 -1.443 4.145 683 3HG2 VAL 97 3HG2 VAL 97 -1.584 0.244 4.174 684 H SER 98 HN SER 98 -6.278 -0.821 4.351 685 HA SER 98 HA SER 98 -7.248 -2.670 2.539 686 1HB SER 98 2HB SER 98 -9.078 -3.698 3.923 687 2HB SER 98 3HB SER 98 -7.474 -4.242 4.372 688 HG SER 98 HG SER 98 -7.966 -2.047 5.856 689 H ILE 99 HN ILE 99 -7.791 -0.693 1.473 690 HA ILE 99 HA ILE 99 -10.207 0.539 2.526 691 HB ILE 99 HB ILE 99 -8.102 2.373 1.489 692 1HG1 ILE 99 2HG1 ILE 99 -8.158 1.397 4.360 693 2HG1 ILE 99 3HG1 ILE 99 -6.942 0.962 3.175 694 1HG2 ILE 99 1HG2 ILE 99 -10.636 2.515 2.988 695 2HG2 ILE 99 2HG2 ILE 99 -9.351 3.598 3.576 696 3HG2 ILE 99 3HG2 ILE 99 -9.881 3.685 1.879 697 1HD1 ILE 99 1HD1 ILE 99 -5.815 2.797 3.917 698 2HD1 ILE 99 2HD1 ILE 99 -6.987 3.735 2.960 699 3HD1 ILE 99 3HD1 ILE 99 -7.265 3.473 4.698 700 H GLU 100 HN GLU 100 -11.048 2.168 0.723 701 HA GLU 100 HA GLU 100 -10.397 1.022 -1.869 702 1HB GLU 100 2HB GLU 100 -13.204 1.458 -0.758 703 2HB GLU 100 3HB GLU 100 -12.860 1.068 -2.432 704 1HG GLU 100 2HG GLU 100 -13.091 -1.102 -1.729 705 2HG GLU 100 3HG GLU 100 -11.433 -0.917 -1.193 706 H ASP 101 HN ASP 101 -9.418 2.768 -2.843 707 HA ASP 101 HA ASP 101 -10.389 5.390 -2.272 708 1HB ASP 101 2HB ASP 101 -8.315 4.481 -4.322 709 2HB ASP 101 3HB ASP 101 -8.548 6.123 -3.756 710 H SER 102 HN SER 102 -12.369 5.856 -3.297 711 HA SER 102 HA SER 102 -12.805 4.818 -5.940 712 1HB SER 102 2HB SER 102 -15.088 5.524 -5.658 713 2HB SER 102 3HB SER 102 -14.585 4.822 -4.133 714 HG SER 102 HG SER 102 -13.965 7.462 -4.049 715 H VAL 103 HN VAL 103 -10.790 6.288 -6.536 716 HA VAL 103 HA VAL 103 -11.867 8.572 -7.879 717 HB VAL 103 HB VAL 103 -9.944 8.885 -5.576 718 1HG1 VAL 103 1HG1 VAL 103 -10.465 11.381 -6.900 719 2HG1 VAL 103 2HG1 VAL 103 -8.907 10.580 -6.585 720 3HG1 VAL 103 3HG1 VAL 103 -9.806 10.222 -8.079 721 1HG2 VAL 103 1HG2 VAL 103 -12.115 9.137 -4.756 722 2HG2 VAL 103 2HG2 VAL 103 -11.626 10.810 -5.116 723 3HG2 VAL 103 3HG2 VAL 103 -12.692 9.934 -6.240 724 H ILE 104 HN ILE 104 -8.657 7.359 -6.665 725 HA ILE 104 HA ILE 104 -7.534 7.724 -9.276 726 HB ILE 104 HB ILE 104 -5.487 6.903 -8.238 727 1HG1 ILE 104 2HG1 ILE 104 -5.508 6.446 -5.756 728 2HG1 ILE 104 3HG1 ILE 104 -7.255 6.352 -5.841 729 1HG2 ILE 104 1HG2 ILE 104 -6.479 8.754 -6.150 730 2HG2 ILE 104 2HG2 ILE 104 -5.064 8.872 -7.223 731 3HG2 ILE 104 3HG2 ILE 104 -6.682 9.290 -7.835 732 1HD1 ILE 104 1HD1 ILE 104 -5.825 4.732 -7.894 733 2HD1 ILE 104 2HD1 ILE 104 -5.591 4.206 -6.209 734 3HD1 ILE 104 3HD1 ILE 104 -7.232 4.311 -6.889 735 H SER 105 HN SER 105 -6.210 5.816 -10.246 736 HA SER 105 HA SER 105 -7.264 3.242 -9.714 737 1HB SER 105 2HB SER 105 -8.085 4.714 -12.248 738 2HB SER 105 3HB SER 105 -8.088 2.965 -12.151 739 HG SER 105 HG SER 105 -9.363 3.900 -9.945 740 H LEU 106 HN LEU 106 -6.215 1.578 -11.233 741 HA LEU 106 HA LEU 106 -3.486 2.130 -11.455 742 1HB LEU 106 2HB LEU 106 -5.215 -0.080 -12.565 743 2HB LEU 106 3HB LEU 106 -3.469 -0.052 -12.719 744 HG LEU 106 HG LEU 106 -4.252 0.349 -9.953 745 1HD1 LEU 106 1HD1 LEU 106 -5.196 -1.871 -9.522 746 2HD1 LEU 106 2HD1 LEU 106 -6.260 -0.894 -10.562 747 3HD1 LEU 106 3HD1 LEU 106 -5.263 -2.186 -11.273 748 1HD2 LEU 106 1HD2 LEU 106 -2.898 -2.019 -10.058 749 2HD2 LEU 106 2HD2 LEU 106 -2.353 -1.227 -11.557 750 3HD2 LEU 106 3HD2 LEU 106 -2.143 -0.409 -9.990 751 H SER 107 HN SER 107 -6.202 2.254 -13.798 752 HA SER 107 HA SER 107 -4.335 3.569 -15.606 753 1HB SER 107 2HB SER 107 -5.541 2.526 -17.525 754 2HB SER 107 3HB SER 107 -4.747 1.338 -16.511 755 HG SER 107 HG SER 107 -6.766 0.824 -15.531 756 H GLY 108 HN GLY 108 -6.140 4.381 -17.591 757 1HA GLY 108 1HA GLY 108 -8.100 5.561 -17.971 758 2HA GLY 108 2HA GLY 108 -8.405 5.650 -16.247 759 H ASP 109 HN ASP 109 -8.621 7.873 -15.961 760 HA ASP 109 HA ASP 109 -6.509 9.524 -17.048 761 1HB ASP 109 2HB ASP 109 -9.268 10.032 -15.905 762 2HB ASP 109 3HB ASP 109 -8.113 11.349 -15.957 763 H HIS 110 HN HIS 110 -6.142 7.635 -14.723 764 HA HIS 110 HA HIS 110 -5.494 9.648 -12.696 765 1HB HIS 110 2HB HIS 110 -6.540 6.838 -12.253 766 2HB HIS 110 3HB HIS 110 -5.899 7.867 -10.988 767 HD1 HIS 110 HD1 HIS 110 -8.947 7.252 -13.034 768 HD2 HIS 110 HD2 HIS 110 -7.537 10.163 -10.362 769 HE1 HIS 110 HE1 HIS 110 -10.972 8.655 -12.371 770 H SER 111 HN SER 111 -4.833 6.128 -13.336 771 HA SER 111 HA SER 111 -2.982 5.006 -13.476 772 1HB SER 111 2HB SER 111 -1.215 5.825 -14.804 773 2HB SER 111 3HB SER 111 -2.586 6.778 -15.335 774 HG SER 111 HG SER 111 -1.841 8.421 -13.692 775 H ILE 112 HN ILE 112 -2.672 4.436 -11.293 776 HA ILE 112 HA ILE 112 -1.303 6.341 -9.582 777 HB ILE 112 HB ILE 112 -1.714 4.500 -7.875 778 1HG1 ILE 112 2HG1 ILE 112 -3.708 3.456 -9.885 779 2HG1 ILE 112 3HG1 ILE 112 -2.100 2.773 -9.755 780 1HG2 ILE 112 1HG2 ILE 112 -3.107 6.658 -8.460 781 2HG2 ILE 112 2HG2 ILE 112 -4.318 5.466 -8.988 782 3HG2 ILE 112 3HG2 ILE 112 -3.722 5.446 -7.311 783 1HD1 ILE 112 1HD1 ILE 112 -4.409 2.441 -7.973 784 2HD1 ILE 112 2HD1 ILE 112 -2.922 1.469 -8.088 785 3HD1 ILE 112 3HD1 ILE 112 -2.949 2.938 -7.084 786 H ILE 113 HN ILE 113 -0.585 3.806 -11.784 787 HA ILE 113 HA ILE 113 1.465 2.449 -10.579 788 HB ILE 113 HB ILE 113 1.227 3.333 -13.457 789 1HG1 ILE 113 2HG1 ILE 113 -0.779 2.203 -12.862 790 2HG1 ILE 113 3HG1 ILE 113 0.206 1.066 -13.760 791 1HG2 ILE 113 1HG2 ILE 113 2.511 1.091 -13.753 792 2HG2 ILE 113 2HG2 ILE 113 3.405 2.567 -13.316 793 3HG2 ILE 113 3HG2 ILE 113 3.016 1.360 -12.067 794 1HD1 ILE 113 1HD1 ILE 113 -0.572 1.043 -10.875 795 2HD1 ILE 113 2HD1 ILE 113 -0.304 -0.316 -11.992 796 3HD1 ILE 113 3HD1 ILE 113 1.085 0.505 -11.241 797 H GLY 114 HN GLY 114 3.113 3.284 -9.412 798 1HA GLY 114 1HA GLY 114 5.299 4.273 -9.639 799 2HA GLY 114 2HA GLY 114 4.593 5.542 -10.620 800 H ARG 115 HN ARG 115 3.081 4.169 -7.663 801 HA ARG 115 HA ARG 115 3.447 6.798 -6.471 802 1HB ARG 115 2HB ARG 115 1.259 4.700 -6.071 803 2HB ARG 115 3HB ARG 115 1.409 6.122 -5.058 804 1HG ARG 115 2HG ARG 115 1.419 6.608 -8.017 805 2HG ARG 115 3HG ARG 115 -0.097 6.054 -7.335 806 1HD ARG 115 2HD ARG 115 1.326 8.259 -5.862 807 2HD ARG 115 3HD ARG 115 0.599 8.677 -7.401 808 HE ARG 115 HE ARG 115 -1.268 7.148 -5.818 809 1HH1 ARG 115 2HH2 ARG 115 0.169 10.351 -6.061 810 2HH1 ARG 115 1HH2 ARG 115 -1.173 11.149 -5.310 811 1HH2 ARG 115 2HH1 ARG 115 -3.038 8.200 -4.828 812 2HH2 ARG 115 1HH1 ARG 115 -3.009 9.918 -4.604 813 H THR 116 HN THR 116 5.564 6.173 -5.587 814 HA THR 116 HA THR 116 6.237 3.941 -4.225 815 HB THR 116 HB THR 116 6.903 6.890 -3.816 816 HG1 THR 116 1HG THR 116 8.563 6.210 -5.193 817 1HG2 THR 116 1HG2 THR 116 8.006 6.357 -1.884 818 2HG2 THR 116 2HG2 THR 116 7.550 4.644 -2.046 819 3HG2 THR 116 3HG2 THR 116 9.017 5.254 -2.848 820 H LEU 117 HN LEU 117 5.185 2.774 -2.749 821 HA LEU 117 HA LEU 117 3.299 4.041 -1.010 822 1HB LEU 117 2HB LEU 117 3.930 1.388 -1.942 823 2HB LEU 117 3HB LEU 117 3.779 1.389 -0.196 824 HG LEU 117 HG LEU 117 1.673 0.837 -1.362 825 1HD1 LEU 117 1HD1 LEU 117 1.360 1.619 0.818 826 2HD1 LEU 117 2HD1 LEU 117 1.794 3.291 0.385 827 3HD1 LEU 117 3HD1 LEU 117 0.247 2.602 -0.163 828 1HD2 LEU 117 1HD2 LEU 117 2.185 3.469 -2.667 829 2HD2 LEU 117 2HD2 LEU 117 1.491 1.970 -3.329 830 3HD2 LEU 117 3HD2 LEU 117 0.499 3.031 -2.300 831 H VAL 118 HN VAL 118 4.570 5.559 0.183 832 HA VAL 118 HA VAL 118 6.801 4.581 1.702 833 HB VAL 118 HB VAL 118 5.355 7.226 1.894 834 1HG1 VAL 118 1HG1 VAL 118 6.963 6.637 3.719 835 2HG1 VAL 118 2HG1 VAL 118 8.247 6.526 2.491 836 3HG1 VAL 118 3HG1 VAL 118 7.427 8.079 2.784 837 1HG2 VAL 118 1HG2 VAL 118 6.743 8.109 0.182 838 2HG2 VAL 118 2HG2 VAL 118 7.755 6.645 0.141 839 3HG2 VAL 118 3HG2 VAL 118 6.081 6.587 -0.461 840 H VAL 119 HN VAL 119 6.901 4.705 4.091 841 HA VAL 119 HA VAL 119 4.343 3.838 5.202 842 HB VAL 119 HB VAL 119 7.131 3.632 6.352 843 1HG1 VAL 119 1HG1 VAL 119 4.688 3.316 7.601 844 2HG1 VAL 119 2HG1 VAL 119 5.110 1.651 7.134 845 3HG1 VAL 119 3HG1 VAL 119 6.230 2.605 8.135 846 1HG2 VAL 119 1HG2 VAL 119 5.761 2.041 4.278 847 2HG2 VAL 119 2HG2 VAL 119 7.492 2.174 4.671 848 3HG2 VAL 119 3HG2 VAL 119 6.447 1.085 5.614 849 H HIS 120 HN HIS 120 6.387 4.721 7.708 850 HA HIS 120 HA HIS 120 5.800 7.522 7.691 851 1HB HIS 120 2HB HIS 120 4.693 6.802 10.148 852 2HB HIS 120 3HB HIS 120 3.854 7.454 8.754 853 HD1 HIS 120 HD1 HIS 120 4.711 4.117 10.377 854 HD2 HIS 120 HD2 HIS 120 2.111 5.702 7.491 855 HE1 HIS 120 HE1 HIS 120 3.073 2.251 9.788 856 H GLU 121 HN GLU 121 7.505 8.528 8.641 857 HA GLU 121 HA GLU 121 9.543 6.985 9.756 858 1HB GLU 121 2HB GLU 121 9.704 9.258 8.554 859 2HB GLU 121 3HB GLU 121 9.204 9.994 10.063 860 1HG GLU 121 2HG GLU 121 11.289 8.142 10.720 861 2HG GLU 121 3HG GLU 121 11.833 9.015 9.300 862 H LYS 122 HN LYS 122 6.616 8.308 11.069 863 HA LYS 122 HA LYS 122 6.971 7.127 13.544 864 1HB LYS 122 2HB LYS 122 8.622 9.265 13.498 865 2HB LYS 122 3HB LYS 122 7.156 10.052 14.046 866 1HG LYS 122 2HG LYS 122 7.304 7.614 15.514 867 2HG LYS 122 3HG LYS 122 8.934 8.259 15.511 868 1HD LYS 122 2HD LYS 122 8.039 10.474 16.304 869 2HD LYS 122 3HD LYS 122 6.426 9.790 16.351 870 1HE LYS 122 2HE LYS 122 7.732 7.917 17.846 871 2HE LYS 122 3HE LYS 122 8.753 9.301 18.183 872 1HZ LYS 122 1HZ LYS 122 6.879 10.500 18.946 873 2HZ LYS 122 2HZ LYS 122 5.829 9.351 18.452 874 3HZ LYS 122 3HZ LYS 122 6.849 9.047 19.691 875 H ALA 123 HN ALA 123 5.328 8.614 15.190 876 HA ALA 123 HA ALA 123 2.862 8.515 13.655 877 1HB ALA 123 1HB ALA 123 3.224 7.308 15.865 878 2HB ALA 123 2HB ALA 123 3.251 8.908 16.643 879 3HB ALA 123 3HB ALA 123 1.788 8.356 15.795 880 H ASP 124 HN ASP 124 1.915 10.323 12.861 881 HA ASP 124 HA ASP 124 3.086 12.810 13.281 882 1HB ASP 124 2HB ASP 124 0.353 12.018 12.172 883 2HB ASP 124 3HB ASP 124 0.980 13.653 12.102 884 H ASP 125 HN ASP 125 1.005 10.897 15.214 885 HA ASP 125 HA ASP 125 -0.242 11.237 16.956 886 1HB ASP 125 2HB ASP 125 1.617 13.616 17.056 887 2HB ASP 125 3HB ASP 125 0.295 13.557 18.204 888 H LEU 126 HN LEU 126 -1.237 12.199 14.334 889 HA LEU 126 HA LEU 126 -2.840 13.416 13.421 890 1HB LEU 126 2HB LEU 126 -3.751 13.229 16.272 891 2HB LEU 126 3HB LEU 126 -4.681 14.151 15.108 892 HG LEU 126 HG LEU 126 -3.919 11.290 14.544 893 1HD1 LEU 126 1HD1 LEU 126 -5.760 10.420 15.680 894 2HD1 LEU 126 2HD1 LEU 126 -5.072 11.595 16.827 895 3HD1 LEU 126 3HD1 LEU 126 -6.519 12.018 15.880 896 1HD2 LEU 126 1HD2 LEU 126 -6.104 13.143 13.572 897 2HD2 LEU 126 2HD2 LEU 126 -4.760 12.441 12.640 898 3HD2 LEU 126 3HD2 LEU 126 -6.069 11.395 13.239 899 H GLY 127 HN GLY 127 -0.328 14.724 14.662 900 1HA GLY 127 1HA GLY 127 0.366 16.892 14.141 901 2HA GLY 127 2HA GLY 127 -1.283 17.470 14.277 902 H LYS 128 HN LYS 128 1.621 17.802 15.708 903 HA LYS 128 HA LYS 128 0.983 17.341 18.438 904 1HB LYS 128 2HB LYS 128 3.191 18.987 17.166 905 2HB LYS 128 3HB LYS 128 3.102 18.536 18.857 906 1HG LYS 128 2HG LYS 128 3.739 16.363 18.454 907 2HG LYS 128 3HG LYS 128 2.794 16.246 16.983 908 1HD LYS 128 2HD LYS 128 4.524 16.990 15.638 909 2HD LYS 128 3HD LYS 128 5.140 18.096 16.849 910 1HE LYS 128 2HE LYS 128 6.822 16.463 16.837 911 2HE LYS 128 3HE LYS 128 5.818 15.898 18.157 912 1HZ LYS 128 1HZ LYS 128 6.442 14.227 16.431 913 2HZ LYS 128 2HZ LYS 128 4.849 14.303 16.783 914 3HZ LYS 128 3HZ LYS 128 5.415 14.975 15.406 915 H GLY 129 HN GLY 129 1.738 20.480 16.774 916 1HA GLY 129 1HA GLY 129 -0.618 21.662 18.063 917 2HA GLY 129 2HA GLY 129 0.959 22.326 18.439 918 H GLY 130 HN GLY 130 0.208 20.906 15.248 919 1HA GLY 130 1HA GLY 130 0.025 21.811 13.199 920 2HA GLY 130 2HA GLY 130 -0.628 23.255 13.946 921 H ASN 131 HN ASN 131 2.063 21.874 12.301 922 HA ASN 131 HA ASN 131 3.468 24.376 12.646 923 1HB ASN 131 2HB ASN 131 4.327 21.943 13.873 924 2HB ASN 131 3HB ASN 131 5.374 22.152 12.483 925 1HD2 ASN 131 1HD2 ASN 131 3.964 23.921 15.221 926 2HD2 ASN 131 2HD2 ASN 131 5.322 24.943 15.553 927 H GLU 132 HN GLU 132 4.988 24.766 10.792 928 HA GLU 132 HA GLU 132 4.033 24.295 8.384 929 1HB GLU 132 2HB GLU 132 6.673 24.977 9.474 930 2HB GLU 132 3HB GLU 132 6.809 24.150 7.935 931 1HG GLU 132 2HG GLU 132 5.152 25.769 6.945 932 2HG GLU 132 3HG GLU 132 5.087 26.615 8.478 933 H GLN 133 HN GLN 133 5.749 21.952 10.403 934 HA GLN 133 HA GLN 133 6.046 20.148 8.179 935 1HB GLN 133 2HB GLN 133 7.489 20.572 10.527 936 2HB GLN 133 3HB GLN 133 6.614 19.096 10.882 937 1HG GLN 133 2HG GLN 133 7.812 17.866 9.364 938 2HG GLN 133 3HG GLN 133 7.765 19.131 8.151 939 1HE2 GLN 133 1HE2 GLN 133 9.879 17.340 9.483 940 2HE2 GLN 133 2HE2 GLN 133 11.195 18.407 9.843 941 H SER 134 HN SER 134 4.254 20.413 11.311 942 HA SER 134 HA SER 134 2.938 17.962 10.963 943 1HB SER 134 2HB SER 134 2.690 18.459 13.163 944 2HB SER 134 3HB SER 134 2.973 20.167 12.892 945 HG SER 134 HG SER 134 0.458 18.844 12.332 946 H THR 135 HN THR 135 1.994 21.429 10.455 947 HA THR 135 HA THR 135 -0.589 21.268 9.787 948 HB THR 135 HB THR 135 -0.013 23.132 8.124 949 HG1 THR 135 1HG THR 135 2.071 22.923 7.412 950 1HG2 THR 135 1HG2 THR 135 1.709 24.211 10.029 951 2HG2 THR 135 2HG2 THR 135 -0.067 24.297 10.111 952 3HG2 THR 135 3HG2 THR 135 0.803 23.010 10.981 953 H LYS 136 HN LYS 136 2.096 19.873 7.932 954 HA LYS 136 HA LYS 136 0.138 19.035 5.915 955 1HB LYS 136 2HB LYS 136 2.733 18.434 5.018 956 2HB LYS 136 3HB LYS 136 1.660 19.691 4.437 957 1HG LYS 136 2HG LYS 136 2.528 21.199 6.297 958 2HG LYS 136 3HG LYS 136 3.692 19.954 6.702 959 1HD LYS 136 2HD LYS 136 3.474 21.454 4.053 960 2HD LYS 136 3HD LYS 136 4.764 21.591 5.231 961 1HE LYS 136 2HE LYS 136 4.951 18.937 4.826 962 2HE LYS 136 3HE LYS 136 4.183 19.341 3.304 963 1HZ LYS 136 1HZ LYS 136 6.626 19.426 3.274 964 2HZ LYS 136 2HZ LYS 136 5.932 20.830 2.811 965 3HZ LYS 136 3HZ LYS 136 6.590 20.697 4.300 966 H THR 137 HN THR 137 2.666 17.965 8.227 967 HA THR 137 HA THR 137 1.551 15.255 7.977 968 HB THR 137 HB THR 137 3.820 14.350 8.024 969 HG1 THR 137 1HG THR 137 4.546 17.189 8.189 970 1HG2 THR 137 1HG2 THR 137 3.213 15.132 5.746 971 2HG2 THR 137 2HG2 THR 137 3.725 16.784 6.165 972 3HG2 THR 137 3HG2 THR 137 4.930 15.478 6.063 973 H GLY 138 HN GLY 138 4.217 15.375 10.049 974 1HA GLY 138 1HA GLY 138 2.904 16.463 12.359 975 2HA GLY 138 2HA GLY 138 2.876 14.711 12.329 976 H ASN 139 HN ASN 139 5.388 17.048 11.144 977 HA ASN 139 HA ASN 139 7.528 17.156 11.497 978 1HB ASN 139 2HB ASN 139 6.269 17.381 14.029 979 2HB ASN 139 3HB ASN 139 7.606 16.285 14.315 980 1HD2 ASN 139 1HD2 ASN 139 9.678 16.985 13.063 981 2HD2 ASN 139 2HD2 ASN 139 10.158 18.636 13.272 982 H ALA 140 HN ALA 140 6.460 14.532 10.658 983 HA ALA 140 HA ALA 140 8.728 12.911 11.414 984 1HB ALA 140 1HB ALA 140 6.710 11.053 11.689 985 2HB ALA 140 2HB ALA 140 7.557 11.847 13.038 986 3HB ALA 140 3HB ALA 140 5.999 12.488 12.465 987 H GLY 141 HN GLY 141 7.586 14.392 9.043 988 1HA GLY 141 1HA GLY 141 6.569 12.357 7.273 989 2HA GLY 141 2HA GLY 141 6.965 14.020 6.886 990 H SER 142 HN SER 142 8.150 10.696 7.081 991 HA SER 142 HA SER 142 10.350 11.478 5.410 992 1HB SER 142 2HB SER 142 10.743 11.020 8.200 993 2HB SER 142 3HB SER 142 11.375 9.605 7.383 994 HG SER 142 HG SER 142 12.116 12.366 6.943 995 H ARG 143 HN ARG 143 11.119 9.702 4.095 996 HA ARG 143 HA ARG 143 9.220 7.536 4.058 997 1HB ARG 143 2HB ARG 143 11.417 8.329 2.078 998 2HB ARG 143 3HB ARG 143 10.276 7.025 1.818 999 1HG ARG 143 2HG ARG 143 8.639 8.462 1.160 1000 2HG ARG 143 3HG ARG 143 8.870 9.484 2.564 1001 1HD ARG 143 2HD ARG 143 9.345 10.743 0.481 1002 2HD ARG 143 3HD ARG 143 10.790 10.614 1.464 1003 HE ARG 143 HE ARG 143 11.777 9.268 -0.186 1004 1HH1 ARG 143 2HH2 ARG 143 8.312 9.476 -0.766 1005 2HH1 ARG 143 1HH2 ARG 143 8.395 8.693 -2.309 1006 1HH2 ARG 143 2HH1 ARG 143 11.886 8.235 -2.221 1007 2HH2 ARG 143 1HH1 ARG 143 10.441 7.983 -3.142 1008 H LEU 144 HN LEU 144 9.786 5.360 4.443 1009 HA LEU 144 HA LEU 144 12.626 4.848 4.965 1010 1HB LEU 144 2HB LEU 144 10.418 3.693 6.650 1011 2HB LEU 144 3HB LEU 144 12.145 3.666 6.944 1012 HG LEU 144 HG LEU 144 10.271 6.028 7.170 1013 1HD1 LEU 144 1HD1 LEU 144 10.122 4.794 9.139 1014 2HD1 LEU 144 2HD1 LEU 144 11.850 4.368 9.123 1015 3HD1 LEU 144 3HD1 LEU 144 11.347 6.030 9.516 1016 1HD2 LEU 144 1HD2 LEU 144 12.808 6.806 8.082 1017 2HD2 LEU 144 2HD2 LEU 144 13.080 6.039 6.499 1018 3HD2 LEU 144 3HD2 LEU 144 11.938 7.396 6.647 1019 H ALA 145 HN ALA 145 10.373 4.391 2.779 1020 HA ALA 145 HA ALA 145 11.385 1.867 1.983 1021 1HB ALA 145 1HB ALA 145 9.230 1.750 3.781 1022 2HB ALA 145 2HB ALA 145 8.495 1.514 2.177 1023 3HB ALA 145 3HB ALA 145 9.807 0.441 2.721 1024 H CYS 146 HN CYS 146 10.425 1.226 -0.169 1025 HA CYS 146 HA CYS 146 8.827 3.250 -1.439 1026 1HB CYS 146 2HB CYS 146 10.366 3.819 -3.173 1027 2HB CYS 146 3HB CYS 146 11.093 4.189 -1.622 1028 H GLY 147 HN GLY 147 7.674 1.001 -1.103 1029 1HA GLY 147 1HA GLY 147 8.461 -1.275 -2.516 1030 2HA GLY 147 2HA GLY 147 6.831 -0.870 -2.016 1031 H VAL 148 HN VAL 148 6.465 1.585 -3.484 1032 HA VAL 148 HA VAL 148 5.804 2.317 -5.460 1033 HB VAL 148 HB VAL 148 8.196 0.678 -6.198 1034 1HG1 VAL 148 1HG1 VAL 148 7.769 1.890 -8.551 1035 2HG1 VAL 148 2HG1 VAL 148 7.189 0.245 -8.199 1036 3HG1 VAL 148 3HG1 VAL 148 6.076 1.628 -8.069 1037 1HG2 VAL 148 1HG2 VAL 148 9.260 2.637 -6.047 1038 2HG2 VAL 148 2HG2 VAL 148 8.083 3.436 -7.118 1039 3HG2 VAL 148 3HG2 VAL 148 7.759 3.315 -5.372 1040 H ILE 149 HN ILE 149 4.237 1.834 -7.066 1041 HA ILE 149 HA ILE 149 3.042 -0.768 -6.695 1042 HB ILE 149 HB ILE 149 2.174 1.711 -8.182 1043 1HG1 ILE 149 2HG1 ILE 149 2.182 2.033 -5.789 1044 2HG1 ILE 149 3HG1 ILE 149 0.530 1.908 -6.358 1045 1HG2 ILE 149 1HG2 ILE 149 0.145 -0.328 -7.596 1046 2HG2 ILE 149 2HG2 ILE 149 0.415 0.645 -9.061 1047 3HG2 ILE 149 3HG2 ILE 149 1.363 -0.837 -8.790 1048 1HD1 ILE 149 1HD1 ILE 149 1.236 -0.757 -5.799 1049 2HD1 ILE 149 2HD1 ILE 149 1.982 0.182 -4.484 1050 3HD1 ILE 149 3HD1 ILE 149 0.231 0.303 -4.781 1051 H GLY 150 HN GLY 150 3.233 -2.476 -8.056 1052 1HA GLY 150 1HA GLY 150 4.237 -1.941 -10.779 1053 2HA GLY 150 2HA GLY 150 5.010 -3.135 -9.755 1054 H ILE 151 HN ILE 151 2.576 -2.606 -12.084 1055 HA ILE 151 HA ILE 151 0.473 -4.152 -11.462 1056 HB ILE 151 HB ILE 151 1.990 -3.891 -14.051 1057 1HG1 ILE 151 2HG1 ILE 151 0.878 -1.884 -12.947 1058 2HG1 ILE 151 3HG1 ILE 151 0.444 -2.218 -14.611 1059 1HG2 ILE 151 1HG2 ILE 151 0.891 -5.792 -14.623 1060 2HG2 ILE 151 2HG2 ILE 151 -0.379 -5.568 -13.396 1061 3HG2 ILE 151 3HG2 ILE 151 -0.429 -4.633 -14.910 1062 1HD1 ILE 151 1HD1 ILE 151 -1.604 -3.440 -13.811 1063 2HD1 ILE 151 2HD1 ILE 151 -1.177 -2.991 -12.142 1064 3HD1 ILE 151 3HD1 ILE 151 -1.586 -1.727 -13.327 1065 H ALA 152 HN ALA 152 -0.004 -6.280 -11.084 1066 HA ALA 152 HA ALA 152 2.286 -8.061 -10.922 1067 1HB ALA 152 1HB ALA 152 0.602 -7.697 -9.043 1068 2HB ALA 152 2HB ALA 152 -0.585 -8.552 -10.058 1069 3HB ALA 152 3HB ALA 152 0.883 -9.393 -9.507 1070 H GLN 153 HN GLN 153 1.747 -10.463 -11.557 1071 HA GLN 153 HA GLN 153 1.617 -10.640 -14.219 1072 1HB GLN 153 2HB GLN 153 2.225 -12.469 -12.591 1073 2HB GLN 153 3HB GLN 153 0.519 -12.733 -12.290 1074 1HG GLN 153 2HG GLN 153 0.126 -13.615 -14.434 1075 2HG GLN 153 3HG GLN 153 1.473 -12.756 -15.154 1076 1HE2 GLN 153 1HE2 GLN 153 1.928 -14.856 -16.087 1077 2HE2 GLN 153 2HE2 GLN 153 2.872 -16.013 -15.209 Start of MODEL 20 1 1H ALA 1 HN ALA 1 -8.944 -7.100 -10.812 2 HA ALA 1 HA ALA 1 -9.043 -8.729 -12.757 3 1HB ALA 1 1HB ALA 1 -9.500 -7.902 -14.816 4 2HB ALA 1 2HB ALA 1 -10.165 -6.502 -13.941 5 3HB ALA 1 3HB ALA 1 -8.497 -6.454 -14.559 6 H THR 2 HN THR 2 -7.336 -5.512 -12.837 7 HA THR 2 HA THR 2 -4.801 -6.916 -13.003 8 HB THR 2 HB THR 2 -5.128 -3.913 -12.792 9 HG1 THR 2 1HG THR 2 -6.656 -4.206 -14.384 10 1HG2 THR 2 1HG2 THR 2 -3.726 -5.202 -15.079 11 2HG2 THR 2 2HG2 THR 2 -3.179 -3.879 -14.022 12 3HG2 THR 2 3HG2 THR 2 -3.006 -5.570 -13.493 13 H LYS 3 HN LYS 3 -3.915 -7.733 -11.214 14 HA LYS 3 HA LYS 3 -4.406 -6.315 -8.709 15 1HB LYS 3 2HB LYS 3 -4.971 -8.671 -8.711 16 2HB LYS 3 3HB LYS 3 -3.379 -9.104 -9.301 17 1HG LYS 3 2HG LYS 3 -3.120 -7.436 -6.923 18 2HG LYS 3 3HG LYS 3 -4.196 -8.777 -6.586 19 1HD LYS 3 2HD LYS 3 -1.782 -9.560 -8.126 20 2HD LYS 3 3HD LYS 3 -1.415 -8.897 -6.547 21 1HE LYS 3 2HE LYS 3 -3.006 -10.518 -5.494 22 2HE LYS 3 3HE LYS 3 -3.380 -11.179 -7.073 23 1HZ LYS 3 1HZ LYS 3 -1.020 -11.523 -5.475 24 2HZ LYS 3 2HZ LYS 3 -1.715 -12.545 -6.542 25 3HZ LYS 3 3HZ LYS 3 -0.746 -11.343 -7.075 26 H ALA 4 HN ALA 4 -2.968 -4.740 -8.242 27 HA ALA 4 HA ALA 4 -0.278 -4.962 -9.303 28 1HB ALA 4 1HB ALA 4 -0.570 -2.651 -7.691 29 2HB ALA 4 2HB ALA 4 -0.603 -2.745 -9.468 30 3HB ALA 4 3HB ALA 4 -2.119 -2.856 -8.542 31 H VAL 5 HN VAL 5 1.618 -4.627 -7.864 32 HA VAL 5 HA VAL 5 1.082 -5.503 -5.117 33 HB VAL 5 HB VAL 5 3.390 -6.519 -6.765 34 1HG1 VAL 5 1HG1 VAL 5 3.547 -6.620 -4.285 35 2HG1 VAL 5 2HG1 VAL 5 2.071 -7.614 -4.259 36 3HG1 VAL 5 3HG1 VAL 5 3.543 -8.228 -5.050 37 1HG2 VAL 5 1HG2 VAL 5 0.571 -7.302 -6.920 38 2HG2 VAL 5 2HG2 VAL 5 1.936 -7.711 -7.987 39 3HG2 VAL 5 3HG2 VAL 5 1.648 -8.658 -6.507 40 H ALA 6 HN ALA 6 2.738 -4.836 -3.569 41 HA ALA 6 HA ALA 6 4.775 -3.033 -4.500 42 1HB ALA 6 1HB ALA 6 3.383 -1.534 -2.516 43 2HB ALA 6 2HB ALA 6 3.624 -1.124 -4.232 44 3HB ALA 6 3HB ALA 6 2.181 -2.037 -3.729 45 H VAL 7 HN VAL 7 6.197 -4.547 -3.523 46 HA VAL 7 HA VAL 7 5.775 -5.212 -0.748 47 HB VAL 7 HB VAL 7 7.964 -6.421 -1.104 48 1HG1 VAL 7 1HG1 VAL 7 5.390 -7.139 -1.688 49 2HG1 VAL 7 2HG1 VAL 7 6.209 -7.476 -3.232 50 3HG1 VAL 7 3HG1 VAL 7 6.787 -8.240 -1.731 51 1HG2 VAL 7 1HG2 VAL 7 9.082 -6.420 -3.087 52 2HG2 VAL 7 2HG2 VAL 7 7.604 -6.186 -4.050 53 3HG2 VAL 7 3HG2 VAL 7 8.352 -4.802 -3.218 54 H LEU 8 HN LEU 8 6.198 -3.687 0.768 55 HA LEU 8 HA LEU 8 7.734 -1.431 0.338 56 1HB LEU 8 2HB LEU 8 6.854 -2.881 2.823 57 2HB LEU 8 3HB LEU 8 7.802 -1.409 2.902 58 HG LEU 8 HG LEU 8 5.227 -1.275 3.100 59 1HD1 LEU 8 1HD1 LEU 8 7.206 0.506 2.106 60 2HD1 LEU 8 2HD1 LEU 8 5.720 0.763 1.160 61 3HD1 LEU 8 3HD1 LEU 8 5.678 0.888 2.935 62 1HD2 LEU 8 1HD2 LEU 8 4.044 -0.981 0.953 63 2HD2 LEU 8 2HD2 LEU 8 5.501 -1.533 0.093 64 3HD2 LEU 8 3HD2 LEU 8 4.641 -2.641 1.188 65 H LYS 9 HN LYS 9 9.881 -0.839 0.832 66 HA LYS 9 HA LYS 9 11.686 -2.582 2.079 67 1HB LYS 9 2HB LYS 9 11.309 -3.882 -0.028 68 2HB LYS 9 3HB LYS 9 11.943 -2.528 -0.941 69 1HG LYS 9 2HG LYS 9 14.112 -2.979 -0.352 70 2HG LYS 9 3HG LYS 9 13.693 -3.318 1.315 71 1HD LYS 9 2HD LYS 9 13.655 -5.563 0.947 72 2HD LYS 9 3HD LYS 9 12.612 -5.389 -0.450 73 1HE LYS 9 2HE LYS 9 14.360 -5.523 -1.924 74 2HE LYS 9 3HE LYS 9 15.367 -4.448 -0.975 75 1HZ LYS 9 1HZ LYS 9 14.953 -6.957 0.288 76 2HZ LYS 9 2HZ LYS 9 15.673 -7.110 -1.170 77 3HZ LYS 9 3HZ LYS 9 16.349 -6.168 -0.021 78 H GLY 10 HN GLY 10 13.630 -1.503 2.538 79 1HA GLY 10 1HA GLY 10 14.743 0.610 1.179 80 2HA GLY 10 2HA GLY 10 13.537 1.336 2.224 81 H ASP 11 HN ASP 11 13.826 1.372 4.496 82 HA ASP 11 HA ASP 11 16.238 1.663 5.497 83 1HB ASP 11 2HB ASP 11 14.220 2.097 6.803 84 2HB ASP 11 3HB ASP 11 13.813 0.393 6.841 85 H GLY 12 HN GLY 12 14.356 -1.452 5.435 86 1HA GLY 12 1HA GLY 12 16.021 -3.300 4.711 87 2HA GLY 12 2HA GLY 12 16.764 -2.925 6.254 88 HA PRO 13 HA PRO 13 13.626 -5.077 8.382 89 1HB PRO 13 2HB PRO 13 12.581 -3.436 10.302 90 2HB PRO 13 3HB PRO 13 14.136 -4.228 10.461 91 1HG PRO 13 2HG PRO 13 13.554 -1.392 9.864 92 2HG PRO 13 3HG PRO 13 15.046 -2.109 10.440 93 1HD PRO 13 2HD PRO 13 14.478 -1.242 7.765 94 2HD PRO 13 3HD PRO 13 15.925 -2.064 8.316 95 H VAL 14 HN VAL 14 12.546 -2.194 6.898 96 HA VAL 14 HA VAL 14 9.772 -2.923 7.182 97 HB VAL 14 HB VAL 14 11.327 -0.679 5.943 98 1HG1 VAL 14 1HG1 VAL 14 9.788 -0.860 4.224 99 2HG1 VAL 14 2HG1 VAL 14 8.514 -1.508 5.285 100 3HG1 VAL 14 3HG1 VAL 14 8.933 0.221 5.351 101 1HG2 VAL 14 1HG2 VAL 14 9.401 -1.052 8.207 102 2HG2 VAL 14 2HG2 VAL 14 10.931 -0.144 8.144 103 3HG2 VAL 14 3HG2 VAL 14 9.465 0.529 7.392 104 H GLN 15 HN GLN 15 9.287 -4.826 6.129 105 HA GLN 15 HA GLN 15 9.946 -4.821 3.287 106 1HB GLN 15 2HB GLN 15 9.648 -7.350 4.946 107 2HB GLN 15 3HB GLN 15 10.319 -7.194 3.334 108 1HG GLN 15 2HG GLN 15 12.381 -6.879 4.217 109 2HG GLN 15 3HG GLN 15 11.821 -5.424 5.017 110 1HE2 GLN 15 1HE2 GLN 15 9.885 -6.534 6.707 111 2HE2 GLN 15 2HE2 GLN 15 10.658 -7.477 7.937 112 H GLY 16 HN GLY 16 7.576 -3.708 4.632 113 1HA GLY 16 1HA GLY 16 5.355 -5.221 4.861 114 2HA GLY 16 2HA GLY 16 5.370 -3.625 4.138 115 H ILE 17 HN ILE 17 3.508 -5.602 3.333 116 HA ILE 17 HA ILE 17 4.321 -5.889 0.554 117 HB ILE 17 HB ILE 17 3.437 -8.157 2.330 118 1HG1 ILE 17 2HG1 ILE 17 5.788 -8.067 0.438 119 2HG1 ILE 17 3HG1 ILE 17 5.907 -7.463 2.078 120 1HG2 ILE 17 1HG2 ILE 17 2.183 -7.966 0.096 121 2HG2 ILE 17 2HG2 ILE 17 3.743 -8.369 -0.661 122 3HG2 ILE 17 3HG2 ILE 17 2.986 -9.509 0.478 123 1HD1 ILE 17 1HD1 ILE 17 5.995 -9.559 2.950 124 2HD1 ILE 17 2HD1 ILE 17 4.596 -10.094 1.989 125 3HD1 ILE 17 3HD1 ILE 17 6.228 -10.127 1.279 126 H ILE 18 HN ILE 18 2.870 -4.443 -0.276 127 HA ILE 18 HA ILE 18 0.068 -4.885 0.494 128 HB ILE 18 HB ILE 18 0.466 -2.797 1.320 129 1HG1 ILE 18 2HG1 ILE 18 -1.250 -2.920 -0.684 130 2HG1 ILE 18 3HG1 ILE 18 -0.892 -1.407 0.125 131 1HG2 ILE 18 1HG2 ILE 18 2.814 -2.674 0.561 132 2HG2 ILE 18 2HG2 ILE 18 2.250 -2.136 -1.039 133 3HG2 ILE 18 3HG2 ILE 18 1.952 -1.126 0.396 134 1HD1 ILE 18 1HD1 ILE 18 -0.807 -1.094 -2.314 135 2HD1 ILE 18 2HD1 ILE 18 0.822 -0.884 -1.627 136 3HD1 ILE 18 3HD1 ILE 18 0.396 -2.398 -2.460 137 H ASN 19 HN ASN 19 -1.518 -4.771 -1.204 138 HA ASN 19 HA ASN 19 -0.336 -4.893 -3.860 139 1HB ASN 19 2HB ASN 19 -2.742 -6.597 -3.439 140 2HB ASN 19 3HB ASN 19 -1.273 -6.958 -4.323 141 1HD2 ASN 19 1HD2 ASN 19 0.290 -8.135 -3.423 142 2HD2 ASN 19 2HD2 ASN 19 0.295 -8.747 -1.803 143 H PHE 20 HN PHE 20 -2.119 -4.541 -5.601 144 HA PHE 20 HA PHE 20 -4.347 -2.987 -4.498 145 1HB PHE 20 2HB PHE 20 -2.114 -2.315 -6.383 146 2HB PHE 20 3HB PHE 20 -3.694 -1.867 -6.994 147 HD1 PHE 20 1HD PHE 20 -2.241 -1.762 -3.554 148 HD2 PHE 20 2HD PHE 20 -3.943 0.414 -6.774 149 HE1 PHE 20 1HE PHE 20 -2.182 0.331 -2.170 150 HE2 PHE 20 2HE PHE 20 -3.885 2.508 -5.390 151 HZ PHE 20 HZ PHE 20 -3.005 2.441 -3.105 152 H GLU 21 HN GLU 21 -6.118 -4.230 -4.958 153 HA GLU 21 HA GLU 21 -6.144 -5.517 -7.565 154 1HB GLU 21 2HB GLU 21 -6.484 -6.892 -5.444 155 2HB GLU 21 3HB GLU 21 -7.993 -6.037 -5.199 156 1HG GLU 21 2HG GLU 21 -9.074 -7.225 -6.828 157 2HG GLU 21 3HG GLU 21 -7.732 -7.093 -7.947 158 H GLN 22 HN GLN 22 -7.953 -5.253 -8.998 159 HA GLN 22 HA GLN 22 -9.970 -3.374 -8.171 160 1HB GLN 22 2HB GLN 22 -8.148 -1.957 -9.118 161 2HB GLN 22 3HB GLN 22 -8.211 -2.870 -10.613 162 1HG GLN 22 2HG GLN 22 -10.822 -2.221 -10.489 163 2HG GLN 22 3HG GLN 22 -10.214 -0.910 -9.497 164 1HE2 GLN 22 1HE2 GLN 22 -10.668 0.685 -10.942 165 2HE2 GLN 22 2HE2 GLN 22 -9.828 0.918 -12.439 166 H LYS 23 HN LYS 23 -11.365 -5.241 -8.331 167 HA LYS 23 HA LYS 23 -11.480 -6.705 -10.776 168 1HB LYS 23 2HB LYS 23 -12.892 -6.730 -8.145 169 2HB LYS 23 3HB LYS 23 -13.722 -7.446 -9.513 170 1HG LYS 23 2HG LYS 23 -11.664 -8.835 -9.989 171 2HG LYS 23 3HG LYS 23 -10.910 -8.164 -8.556 172 1HD LYS 23 2HD LYS 23 -13.562 -9.145 -7.869 173 2HD LYS 23 3HD LYS 23 -12.684 -10.404 -8.715 174 1HE LYS 23 2HE LYS 23 -11.032 -10.566 -7.067 175 2HE LYS 23 3HE LYS 23 -11.192 -8.890 -6.582 176 1HZ LYS 23 1HZ LYS 23 -13.262 -10.911 -6.082 177 2HZ LYS 23 2HZ LYS 23 -12.109 -10.510 -4.997 178 3HZ LYS 23 3HZ LYS 23 -13.202 -9.395 -5.477 179 H GLU 24 HN GLU 24 -11.572 -4.305 -11.806 180 HA GLU 24 HA GLU 24 -14.253 -4.147 -12.763 181 1HB GLU 24 2HB GLU 24 -13.428 -2.376 -10.662 182 2HB GLU 24 3HB GLU 24 -13.532 -1.420 -12.126 183 1HG GLU 24 2HG GLU 24 -15.767 -3.355 -11.466 184 2HG GLU 24 3HG GLU 24 -15.692 -1.818 -10.627 185 H SER 25 HN SER 25 -10.952 -2.681 -12.614 186 HA SER 25 HA SER 25 -9.528 -2.383 -14.272 187 1HB SER 25 2HB SER 25 -11.187 -4.039 -15.596 188 2HB SER 25 3HB SER 25 -11.566 -2.574 -16.479 189 HG SER 25 HG SER 25 -8.903 -3.655 -16.097 190 H ASN 26 HN ASN 26 -12.481 -0.776 -13.672 191 HA ASN 26 HA ASN 26 -11.308 1.692 -14.472 192 1HB ASN 26 2HB ASN 26 -13.374 2.389 -15.800 193 2HB ASN 26 3HB ASN 26 -12.391 1.174 -16.593 194 1HD2 ASN 26 1HD2 ASN 26 -14.792 1.309 -17.531 195 2HD2 ASN 26 2HD2 ASN 26 -15.839 0.039 -16.991 196 H GLY 27 HN GLY 27 -12.274 0.176 -12.038 197 1HA GLY 27 1HA GLY 27 -14.337 2.093 -11.130 198 2HA GLY 27 2HA GLY 27 -14.392 0.387 -10.731 199 HA PRO 28 HA PRO 28 -12.095 2.152 -7.325 200 1HB PRO 28 2HB PRO 28 -13.166 0.570 -5.371 201 2HB PRO 28 3HB PRO 28 -13.838 2.124 -5.821 202 1HG PRO 28 2HG PRO 28 -14.840 -0.583 -6.457 203 2HG PRO 28 3HG PRO 28 -15.694 0.946 -6.520 204 1HD PRO 28 2HD PRO 28 -14.657 -0.535 -8.747 205 2HD PRO 28 3HD PRO 28 -15.407 1.048 -8.799 206 H VAL 29 HN VAL 29 -10.267 1.522 -6.120 207 HA VAL 29 HA VAL 29 -9.391 -1.154 -6.961 208 HB VAL 29 HB VAL 29 -7.768 1.308 -6.286 209 1HG1 VAL 29 1HG1 VAL 29 -5.982 -0.015 -6.117 210 2HG1 VAL 29 2HG1 VAL 29 -7.041 -1.437 -6.271 211 3HG1 VAL 29 3HG1 VAL 29 -6.310 -0.710 -7.722 212 1HG2 VAL 29 1HG2 VAL 29 -7.617 0.154 -9.001 213 2HG2 VAL 29 2HG2 VAL 29 -9.184 0.890 -8.587 214 3HG2 VAL 29 3HG2 VAL 29 -7.691 1.853 -8.475 215 H LYS 30 HN LYS 30 -9.654 -2.597 -5.337 216 HA LYS 30 HA LYS 30 -9.878 -1.759 -2.642 217 1HB LYS 30 2HB LYS 30 -10.149 -4.232 -4.195 218 2HB LYS 30 3HB LYS 30 -9.460 -4.498 -2.607 219 1HG LYS 30 2HG LYS 30 -11.391 -2.944 -1.739 220 2HG LYS 30 3HG LYS 30 -12.130 -3.224 -3.303 221 1HD LYS 30 2HD LYS 30 -12.035 -5.692 -2.912 222 2HD LYS 30 3HD LYS 30 -11.282 -5.419 -1.354 223 1HE LYS 30 2HE LYS 30 -13.694 -3.803 -1.540 224 2HE LYS 30 3HE LYS 30 -14.079 -5.460 -1.962 225 1HZ LYS 30 1HZ LYS 30 -12.358 -5.272 0.290 226 2HZ LYS 30 2HZ LYS 30 -13.783 -4.513 0.534 227 3HZ LYS 30 3HZ LYS 30 -13.759 -6.093 0.120 228 H VAL 31 HN VAL 31 -8.063 -0.676 -1.893 229 HA VAL 31 HA VAL 31 -5.473 -1.898 -2.313 230 HB VAL 31 HB VAL 31 -6.394 0.652 -0.980 231 1HG1 VAL 31 1HG1 VAL 31 -4.443 0.347 0.181 232 2HG1 VAL 31 2HG1 VAL 31 -3.711 -0.663 -1.089 233 3HG1 VAL 31 3HG1 VAL 31 -3.786 1.104 -1.290 234 1HG2 VAL 31 1HG2 VAL 31 -6.658 0.729 -3.378 235 2HG2 VAL 31 2HG2 VAL 31 -5.245 1.714 -2.929 236 3HG2 VAL 31 3HG2 VAL 31 -5.014 0.093 -3.625 237 H TRP 32 HN TRP 32 -4.311 -3.033 -0.793 238 HA TRP 32 HA TRP 32 -4.955 -2.885 1.975 239 1HB TRP 32 2HB TRP 32 -6.121 -4.766 2.370 240 2HB TRP 32 3HB TRP 32 -6.737 -4.428 0.765 241 HD1 TRP 32 HD1 TRP 32 -4.009 -6.687 2.404 242 HE1 TRP 32 HE1 TRP 32 -3.658 -8.889 0.993 243 HE3 TRP 32 HE3 TRP 32 -7.163 -5.398 -1.370 244 HZ2 TRP 32 HZ2 TRP 32 -4.715 -9.824 -1.488 245 HZ3 TRP 32 HZ3 TRP 32 -7.447 -7.012 -3.249 246 HH2 TRP 32 HH2 TRP 32 -6.285 -9.160 -3.346 247 H GLY 33 HN GLY 33 -3.368 -4.181 3.230 248 1HA GLY 33 1HA GLY 33 -1.401 -5.785 2.047 249 2HA GLY 33 2HA GLY 33 -0.805 -4.138 2.075 250 H SER 34 HN SER 34 0.823 -5.297 3.580 251 HA SER 34 HA SER 34 0.031 -4.658 6.239 252 1HB SER 34 2HB SER 34 0.777 -6.926 7.137 253 2HB SER 34 3HB SER 34 -0.768 -6.913 6.311 254 HG SER 34 HG SER 34 1.588 -8.239 5.646 255 H ILE 35 HN ILE 35 1.779 -3.613 7.125 256 HA ILE 35 HA ILE 35 4.314 -3.843 5.771 257 HB ILE 35 HB ILE 35 2.930 -1.917 7.422 258 1HG1 ILE 35 2HG1 ILE 35 5.448 -1.248 5.993 259 2HG1 ILE 35 3HG1 ILE 35 4.164 -1.930 5.016 260 1HG2 ILE 35 1HG2 ILE 35 5.862 -2.316 8.069 261 2HG2 ILE 35 2HG2 ILE 35 4.780 -1.047 8.693 262 3HG2 ILE 35 3HG2 ILE 35 4.513 -2.747 9.147 263 1HD1 ILE 35 1HD1 ILE 35 3.498 0.275 4.918 264 2HD1 ILE 35 2HD1 ILE 35 2.690 -0.152 6.445 265 3HD1 ILE 35 3HD1 ILE 35 4.262 0.682 6.473 266 H LYS 36 HN LYS 36 6.360 -4.008 7.189 267 HA LYS 36 HA LYS 36 6.040 -5.528 9.599 268 1HB LYS 36 2HB LYS 36 7.041 -6.855 7.070 269 2HB LYS 36 3HB LYS 36 7.420 -7.456 8.672 270 1HG LYS 36 2HG LYS 36 4.762 -7.233 9.012 271 2HG LYS 36 3HG LYS 36 4.753 -7.353 7.264 272 1HD LYS 36 2HD LYS 36 6.316 -9.433 7.603 273 2HD LYS 36 3HD LYS 36 5.795 -9.380 9.275 274 1HE LYS 36 2HE LYS 36 3.355 -9.225 8.137 275 2HE LYS 36 3HE LYS 36 4.184 -10.000 6.802 276 1HZ LYS 36 1HZ LYS 36 3.199 -11.497 8.512 277 2HZ LYS 36 2HZ LYS 36 4.767 -11.789 8.161 278 3HZ LYS 36 3HZ LYS 36 4.369 -11.017 9.545 279 H GLY 37 HN GLY 37 7.483 -4.570 10.918 280 1HA GLY 37 1HA GLY 37 10.045 -4.549 11.052 281 2HA GLY 37 2HA GLY 37 9.916 -3.440 9.701 282 H LEU 38 HN LEU 38 7.660 -1.902 10.334 283 HA LEU 38 HA LEU 38 8.707 -0.024 12.059 284 1HB LEU 38 2HB LEU 38 6.043 -0.556 10.838 285 2HB LEU 38 3HB LEU 38 6.127 0.614 12.140 286 HG LEU 38 HG LEU 38 8.231 1.322 10.430 287 1HD1 LEU 38 1HD1 LEU 38 5.804 1.059 8.682 288 2HD1 LEU 38 2HD1 LEU 38 7.509 1.304 8.236 289 3HD1 LEU 38 3HD1 LEU 38 6.962 -0.286 8.821 290 1HD2 LEU 38 1HD2 LEU 38 7.287 3.347 10.604 291 2HD2 LEU 38 2HD2 LEU 38 5.702 2.773 10.033 292 3HD2 LEU 38 3HD2 LEU 38 6.170 2.547 11.735 293 H THR 39 HN THR 39 6.789 0.709 13.936 294 HA THR 39 HA THR 39 6.520 -1.632 15.677 295 HB THR 39 HB THR 39 7.460 -0.188 17.549 296 HG1 THR 39 1HG THR 39 7.967 1.892 16.943 297 1HG2 THR 39 1HG2 THR 39 9.491 -0.226 15.285 298 2HG2 THR 39 2HG2 THR 39 9.755 -0.532 17.019 299 3HG2 THR 39 3HG2 THR 39 8.940 -1.754 16.014 300 H GLU 40 HN GLU 40 4.768 -1.594 17.086 301 HA GLU 40 HA GLU 40 2.504 -0.519 16.279 302 1HB GLU 40 2HB GLU 40 1.601 -0.936 18.461 303 2HB GLU 40 3HB GLU 40 2.891 -2.101 18.238 304 1HG GLU 40 2HG GLU 40 3.598 -1.349 20.285 305 2HG GLU 40 3HG GLU 40 4.320 -0.053 19.354 306 H GLY 41 HN GLY 41 1.605 1.486 16.019 307 1HA GLY 41 1HA GLY 41 1.383 3.584 17.573 308 2HA GLY 41 2HA GLY 41 3.066 3.773 17.122 309 H LEU 42 HN LEU 42 1.337 5.790 16.406 310 HA LEU 42 HA LEU 42 0.182 5.374 13.852 311 1HB LEU 42 2HB LEU 42 0.641 7.657 15.701 312 2HB LEU 42 3HB LEU 42 0.368 8.034 14.012 313 HG LEU 42 HG LEU 42 -1.592 6.115 14.977 314 1HD1 LEU 42 1HD1 LEU 42 -2.523 7.098 16.787 315 2HD1 LEU 42 2HD1 LEU 42 -0.858 7.673 17.043 316 3HD1 LEU 42 3HD1 LEU 42 -2.061 8.740 16.278 317 1HD2 LEU 42 1HD2 LEU 42 -3.073 8.166 14.235 318 2HD2 LEU 42 2HD2 LEU 42 -1.539 8.736 13.535 319 3HD2 LEU 42 3HD2 LEU 42 -2.214 7.166 13.039 320 H HIS 43 HN HIS 43 1.091 5.429 11.857 321 HA HIS 43 HA HIS 43 3.870 6.351 11.759 322 1HB HIS 43 2HB HIS 43 2.527 4.333 9.944 323 2HB HIS 43 3HB HIS 43 4.221 4.778 9.949 324 HD1 HIS 43 HD1 HIS 43 3.695 1.860 10.301 325 HD2 HIS 43 HD2 HIS 43 3.764 4.508 13.554 326 HE1 HIS 43 HE1 HIS 43 4.167 0.441 12.368 327 H GLY 44 HN GLY 44 4.421 6.930 9.271 328 1HA GLY 44 1HA GLY 44 2.258 8.738 8.369 329 2HA GLY 44 2HA GLY 44 3.960 9.156 8.352 330 H PHE 45 HN PHE 45 1.496 6.925 6.970 331 HA PHE 45 HA PHE 45 3.356 6.100 4.912 332 1HB PHE 45 2HB PHE 45 0.414 5.529 5.604 333 2HB PHE 45 3HB PHE 45 1.223 4.773 4.246 334 HD1 PHE 45 1HD PHE 45 0.277 2.765 5.690 335 HD2 PHE 45 2HD PHE 45 3.587 5.179 6.797 336 HE1 PHE 45 1HE PHE 45 1.105 0.938 7.199 337 HE2 PHE 45 2HE PHE 45 4.415 3.352 8.306 338 HZ PHE 45 HZ PHE 45 3.164 1.253 8.489 339 H HIS 46 HN HIS 46 3.307 6.750 2.768 340 HA HIS 46 HA HIS 46 1.189 7.785 1.423 341 1HB HIS 46 2HB HIS 46 1.774 10.257 1.415 342 2HB HIS 46 3HB HIS 46 0.923 9.642 2.819 343 HD1 HIS 46 HD1 HIS 46 4.422 10.695 1.735 344 HD2 HIS 46 HD2 HIS 46 2.223 10.002 5.239 345 HE1 HIS 46 HE1 HIS 46 5.883 11.497 3.666 346 H VAL 47 HN VAL 47 2.072 9.284 -0.529 347 HA VAL 47 HA VAL 47 4.158 7.742 -1.682 348 HB VAL 47 HB VAL 47 2.645 10.209 -2.543 349 1HG1 VAL 47 1HG1 VAL 47 3.571 9.725 -4.828 350 2HG1 VAL 47 2HG1 VAL 47 4.771 10.321 -3.656 351 3HG1 VAL 47 3HG1 VAL 47 4.710 8.590 -4.065 352 1HG2 VAL 47 1HG2 VAL 47 1.486 7.930 -2.313 353 2HG2 VAL 47 2HG2 VAL 47 1.331 8.773 -3.873 354 3HG2 VAL 47 3HG2 VAL 47 2.476 7.421 -3.702 355 H HIS 48 HN HIS 48 6.114 8.846 -2.743 356 HA HIS 48 HA HIS 48 7.041 11.187 -1.363 357 1HB HIS 48 2HB HIS 48 8.506 10.285 0.059 358 2HB HIS 48 3HB HIS 48 7.571 8.813 -0.118 359 HD1 HIS 48 HD1 HIS 48 8.479 7.255 -2.308 360 HD2 HIS 48 HD2 HIS 48 11.155 9.906 -0.461 361 HE1 HIS 48 HE1 HIS 48 10.820 6.460 -2.935 362 H GLU 49 HN GLU 49 7.802 12.413 -3.006 363 HA GLU 49 HA GLU 49 9.857 11.525 -4.631 364 1HB GLU 49 2HB GLU 49 7.148 10.969 -5.643 365 2HB GLU 49 3HB GLU 49 8.075 11.960 -6.751 366 1HG GLU 49 2HG GLU 49 9.695 9.767 -5.635 367 2HG GLU 49 3HG GLU 49 8.264 9.166 -6.449 368 H GLU 50 HN GLU 50 10.578 13.252 -6.154 369 HA GLU 50 HA GLU 50 9.389 15.796 -5.364 370 1HB GLU 50 2HB GLU 50 11.604 16.804 -5.723 371 2HB GLU 50 3HB GLU 50 11.718 15.482 -4.578 372 1HG GLU 50 2HG GLU 50 12.142 14.861 -7.502 373 2HG GLU 50 3HG GLU 50 13.420 15.703 -6.647 374 H GLU 51 HN GLU 51 10.209 13.618 -7.988 375 HA GLU 51 HA GLU 51 8.642 14.958 -9.795 376 1HB GLU 51 2HB GLU 51 10.886 16.454 -9.538 377 2HB GLU 51 3HB GLU 51 11.463 15.325 -10.748 378 1HG GLU 51 2HG GLU 51 10.161 16.236 -12.386 379 2HG GLU 51 3HG GLU 51 8.743 16.282 -11.357 380 H ASP 52 HN ASP 52 10.231 14.283 -12.216 381 HA ASP 52 HA ASP 52 10.526 11.419 -11.792 382 1HB ASP 52 2HB ASP 52 8.403 11.597 -12.877 383 2HB ASP 52 3HB ASP 52 8.942 12.903 -13.913 384 H ASN 53 HN ASN 53 12.883 12.103 -11.724 385 HA ASN 53 HA ASN 53 13.889 12.275 -14.429 386 1HB ASN 53 2HB ASN 53 15.563 14.012 -13.752 387 2HB ASN 53 3HB ASN 53 13.924 14.616 -13.608 388 1HD2 ASN 53 1HD2 ASN 53 16.633 13.207 -11.846 389 2HD2 ASN 53 2HD2 ASN 53 16.272 13.870 -10.288 390 H THR 54 HN THR 54 13.614 10.383 -11.930 391 HA THR 54 HA THR 54 16.321 9.363 -12.085 392 HB THR 54 HB THR 54 16.576 10.880 -10.204 393 HG1 THR 54 1HG THR 54 16.749 9.165 -8.516 394 1HG2 THR 54 1HG2 THR 54 13.896 10.839 -9.830 395 2HG2 THR 54 2HG2 THR 54 14.337 9.563 -8.670 396 3HG2 THR 54 3HG2 THR 54 15.012 11.200 -8.491 397 H ALA 55 HN ALA 55 13.148 9.027 -10.355 398 HA ALA 55 HA ALA 55 12.268 6.795 -11.558 399 1HB ALA 55 1HB ALA 55 14.025 5.357 -11.160 400 2HB ALA 55 2HB ALA 55 14.498 6.176 -9.653 401 3HB ALA 55 3HB ALA 55 13.092 5.086 -9.669 402 H GLY 56 HN GLY 56 12.883 6.488 -8.063 403 1HA GLY 56 1HA GLY 56 10.854 8.117 -7.071 404 2HA GLY 56 2HA GLY 56 10.126 6.566 -7.441 405 H CYS 57 HN CYS 57 13.118 7.917 -5.870 406 HA CYS 57 HA CYS 57 12.723 7.005 -3.387 407 1HB CYS 57 2HB CYS 57 13.186 4.737 -5.112 408 2HB CYS 57 3HB CYS 57 14.483 4.873 -3.940 409 H THR 58 HN THR 58 13.970 8.913 -3.058 410 HA THR 58 HA THR 58 16.818 8.630 -3.759 411 HB THR 58 HB THR 58 16.823 11.081 -4.116 412 HG1 THR 58 1HG THR 58 15.023 12.204 -3.404 413 1HG2 THR 58 1HG2 THR 58 16.167 10.467 -6.240 414 2HG2 THR 58 2HG2 THR 58 14.958 9.315 -5.624 415 3HG2 THR 58 3HG2 THR 58 14.562 11.047 -5.734 416 H SER 59 HN SER 59 16.954 11.357 -2.200 417 HA SER 59 HA SER 59 16.385 10.501 0.448 418 1HB SER 59 2HB SER 59 18.909 9.778 -0.626 419 2HB SER 59 3HB SER 59 19.231 11.163 0.398 420 HG SER 59 HG SER 59 19.105 9.817 2.048 421 H ALA 60 HN ALA 60 15.260 12.447 0.761 422 HA ALA 60 HA ALA 60 16.822 14.744 1.292 423 1HB ALA 60 1HB ALA 60 15.311 14.564 -1.312 424 2HB ALA 60 2HB ALA 60 15.436 16.126 -0.468 425 3HB ALA 60 3HB ALA 60 16.911 15.270 -0.980 426 H GLY 61 HN GLY 61 13.466 14.381 -0.030 427 1HA GLY 61 1HA GLY 61 11.741 13.891 1.722 428 2HA GLY 61 2HA GLY 61 12.470 15.200 2.632 429 HA PRO 62 HA PRO 62 10.349 17.071 -1.192 430 1HB PRO 62 2HB PRO 62 8.707 15.488 -2.697 431 2HB PRO 62 3HB PRO 62 10.373 15.820 -3.125 432 1HG PRO 62 2HG PRO 62 9.208 13.351 -1.991 433 2HG PRO 62 3HG PRO 62 10.743 13.566 -2.810 434 1HD PRO 62 2HD PRO 62 10.329 13.282 0.014 435 2HD PRO 62 3HD PRO 62 11.848 13.612 -0.794 436 H HIS 63 HN HIS 63 7.848 17.406 -2.013 437 HA HIS 63 HA HIS 63 6.260 16.869 0.377 438 1HB HIS 63 2HB HIS 63 5.318 19.280 -0.099 439 2HB HIS 63 3HB HIS 63 6.727 19.033 0.914 440 HD1 HIS 63 HD1 HIS 63 5.901 19.912 -2.721 441 HD2 HIS 63 HD2 HIS 63 8.957 20.419 0.108 442 HE1 HIS 63 HE1 HIS 63 7.620 21.463 -3.794 443 H PHE 64 HN PHE 64 6.635 16.001 -2.642 444 HA PHE 64 HA PHE 64 5.276 15.159 -4.167 445 1HB PHE 64 2HB PHE 64 3.777 15.155 -1.820 446 2HB PHE 64 3HB PHE 64 2.768 16.167 -2.834 447 HD1 PHE 64 1HD PHE 64 3.795 14.535 -5.401 448 HD2 PHE 64 2HD PHE 64 1.945 13.512 -1.722 449 HE1 PHE 64 1HE PHE 64 2.810 12.486 -6.466 450 HE2 PHE 64 2HE PHE 64 0.959 11.464 -2.786 451 HZ PHE 64 HZ PHE 64 1.403 10.976 -5.146 452 H ASN 65 HN ASN 65 2.664 16.112 -5.063 453 HA ASN 65 HA ASN 65 3.622 18.427 -6.442 454 1HB ASN 65 2HB ASN 65 1.702 18.105 -7.897 455 2HB ASN 65 3HB ASN 65 2.335 16.509 -7.547 456 1HD2 ASN 65 1HD2 ASN 65 -0.359 17.486 -8.298 457 2HD2 ASN 65 2HD2 ASN 65 -1.457 16.878 -7.105 458 HA PRO 66 HA PRO 66 1.166 21.246 -4.149 459 1HB PRO 66 2HB PRO 66 0.500 23.151 -5.991 460 2HB PRO 66 3HB PRO 66 2.070 23.075 -5.216 461 1HG PRO 66 2HG PRO 66 1.325 22.310 -7.972 462 2HG PRO 66 3HG PRO 66 2.916 22.644 -7.317 463 1HD PRO 66 2HD PRO 66 1.804 20.063 -7.891 464 2HD PRO 66 3HD PRO 66 3.347 20.393 -7.129 465 H LEU 67 HN LEU 67 -0.484 19.794 -3.514 466 HA LEU 67 HA LEU 67 -3.010 20.743 -4.202 467 1HB LEU 67 2HB LEU 67 -2.108 19.320 -6.286 468 2HB LEU 67 3HB LEU 67 -2.765 18.007 -5.329 469 HG LEU 67 HG LEU 67 -4.287 19.028 -7.083 470 1HD1 LEU 67 1HD1 LEU 67 -5.883 19.341 -4.668 471 2HD1 LEU 67 2HD1 LEU 67 -5.970 18.111 -5.952 472 3HD1 LEU 67 3HD1 LEU 67 -4.829 17.908 -4.601 473 1HD2 LEU 67 1HD2 LEU 67 -3.573 21.414 -6.336 474 2HD2 LEU 67 2HD2 LEU 67 -5.256 21.113 -6.832 475 3HD2 LEU 67 3HD2 LEU 67 -4.843 21.218 -5.104 476 H SER 68 HN SER 68 -0.934 18.038 -3.094 477 HA SER 68 HA SER 68 -2.711 16.635 -1.634 478 1HB SER 68 2HB SER 68 -0.673 16.240 -0.052 479 2HB SER 68 3HB SER 68 -0.534 15.753 -1.730 480 HG SER 68 HG SER 68 0.850 17.410 -2.163 481 H ARG 69 HN ARG 69 -1.650 19.923 -1.153 482 HA ARG 69 HA ARG 69 -2.251 21.451 0.257 483 1HB ARG 69 2HB ARG 69 -4.281 19.361 0.793 484 2HB ARG 69 3HB ARG 69 -3.993 20.385 2.186 485 1HG ARG 69 2HG ARG 69 -4.105 22.133 -0.076 486 2HG ARG 69 3HG ARG 69 -5.432 21.004 -0.267 487 1HD ARG 69 2HD ARG 69 -6.103 21.498 2.147 488 2HD ARG 69 3HD ARG 69 -4.870 22.742 2.183 489 HE ARG 69 HE ARG 69 -6.482 23.193 -0.125 490 1HH1 ARG 69 2HH2 ARG 69 -6.761 23.295 3.381 491 2HH1 ARG 69 1HH2 ARG 69 -7.999 24.506 3.376 492 1HH2 ARG 69 2HH1 ARG 69 -8.116 24.791 -0.133 493 2HH2 ARG 69 1HH1 ARG 69 -8.775 25.362 1.363 494 H LYS 70 HN LYS 70 -2.265 18.329 2.146 495 HA LYS 70 HA LYS 70 -1.025 17.632 3.839 496 1HB LYS 70 2HB LYS 70 0.740 19.615 2.574 497 2HB LYS 70 3HB LYS 70 1.072 19.371 4.276 498 1HG LYS 70 2HG LYS 70 2.239 17.524 3.637 499 2HG LYS 70 3HG LYS 70 0.682 16.761 3.387 500 1HD LYS 70 2HD LYS 70 0.677 17.597 1.012 501 2HD LYS 70 3HD LYS 70 2.262 18.298 1.271 502 1HE LYS 70 2HE LYS 70 2.602 16.146 0.210 503 2HE LYS 70 3HE LYS 70 3.125 15.985 1.875 504 1HZ LYS 70 1HZ LYS 70 1.145 14.558 0.572 505 2HZ LYS 70 2HZ LYS 70 1.646 14.396 2.118 506 3HZ LYS 70 3HZ LYS 70 0.415 15.408 1.760 507 H HIS 71 HN HIS 71 0.090 18.729 6.062 508 HA HIS 71 HA HIS 71 -0.453 19.609 7.998 509 1HB HIS 71 2HB HIS 71 0.164 21.689 6.993 510 2HB HIS 71 3HB HIS 71 -1.384 21.845 6.187 511 HD1 HIS 71 HD1 HIS 71 -1.812 24.152 7.337 512 HD2 HIS 71 HD2 HIS 71 -1.418 20.935 9.999 513 HE1 HIS 71 HE1 HIS 71 -2.623 24.997 9.604 514 H GLY 72 HN GLY 72 -2.224 17.642 7.052 515 1HA GLY 72 1HA GLY 72 -4.715 18.537 8.339 516 2HA GLY 72 2HA GLY 72 -4.781 17.780 6.760 517 H GLY 73 HN GLY 73 -5.850 15.866 7.357 518 1HA GLY 73 1HA GLY 73 -4.203 13.823 8.507 519 2HA GLY 73 2HA GLY 73 -5.480 14.333 9.593 520 HA PRO 74 HA PRO 74 -7.773 11.410 7.235 521 1HB PRO 74 2HB PRO 74 -9.857 11.143 8.983 522 2HB PRO 74 3HB PRO 74 -8.382 10.205 9.100 523 1HG PRO 74 2HG PRO 74 -9.261 12.490 10.755 524 2HG PRO 74 3HG PRO 74 -8.033 11.291 11.105 525 1HD PRO 74 2HD PRO 74 -7.598 13.995 10.252 526 2HD PRO 74 3HD PRO 74 -6.376 12.761 10.489 527 H LYS 75 HN LYS 75 -7.755 13.700 6.005 528 HA LYS 75 HA LYS 75 -9.095 14.692 4.500 529 1HB LYS 75 2HB LYS 75 -10.785 12.710 5.265 530 2HB LYS 75 3HB LYS 75 -11.682 14.105 5.828 531 1HG LYS 75 2HG LYS 75 -12.334 14.560 3.708 532 2HG LYS 75 3HG LYS 75 -10.662 14.770 3.227 533 1HD LYS 75 2HD LYS 75 -10.487 12.250 2.944 534 2HD LYS 75 3HD LYS 75 -12.202 12.132 3.284 535 1HE LYS 75 2HE LYS 75 -12.357 13.989 1.337 536 2HE LYS 75 3HE LYS 75 -10.820 13.292 0.866 537 1HZ LYS 75 1HZ LYS 75 -13.414 11.963 1.058 538 2HZ LYS 75 2HZ LYS 75 -12.393 12.028 -0.215 539 3HZ LYS 75 3HZ LYS 75 -12.031 11.094 1.076 540 H ASP 76 HN ASP 76 -7.760 15.979 6.527 541 HA ASP 76 HA ASP 76 -9.709 17.736 7.738 542 1HB ASP 76 2HB ASP 76 -7.204 16.684 8.543 543 2HB ASP 76 3HB ASP 76 -6.885 18.379 8.231 544 H GLU 77 HN GLU 77 -7.167 17.519 5.257 545 HA GLU 77 HA GLU 77 -7.695 20.313 4.606 546 1HB GLU 77 2HB GLU 77 -5.181 19.080 5.277 547 2HB GLU 77 3HB GLU 77 -5.123 19.515 3.580 548 1HG GLU 77 2HG GLU 77 -4.355 21.360 5.129 549 2HG GLU 77 3HG GLU 77 -5.662 21.835 4.062 550 H GLU 78 HN GLU 78 -8.486 17.305 3.754 551 HA GLU 78 HA GLU 78 -9.465 16.635 1.886 552 1HB GLU 78 2HB GLU 78 -9.379 19.121 1.122 553 2HB GLU 78 3HB GLU 78 -7.948 18.671 0.216 554 1HG GLU 78 2HG GLU 78 -9.151 17.521 -1.360 555 2HG GLU 78 3HG GLU 78 -10.198 16.782 -0.166 556 H ARG 79 HN ARG 79 -6.138 17.831 0.994 557 HA ARG 79 HA ARG 79 -4.574 16.796 -0.159 558 1HB ARG 79 2HB ARG 79 -3.576 14.855 1.170 559 2HB ARG 79 3HB ARG 79 -3.877 16.303 2.110 560 1HG ARG 79 2HG ARG 79 -5.858 15.378 3.113 561 2HG ARG 79 3HG ARG 79 -5.956 14.089 1.929 562 1HD ARG 79 2HD ARG 79 -5.038 12.974 3.794 563 2HD ARG 79 3HD ARG 79 -3.607 13.349 2.854 564 HE ARG 79 HE ARG 79 -4.423 14.613 5.397 565 1HH1 ARG 79 2HH2 ARG 79 -2.282 14.722 2.606 566 2HH1 ARG 79 1HH2 ARG 79 -1.111 15.734 3.384 567 1HH2 ARG 79 2HH1 ARG 79 -2.878 15.948 6.423 568 2HH2 ARG 79 1HH1 ARG 79 -1.452 16.436 5.570 569 H HIS 80 HN HIS 80 -6.432 16.282 -1.856 570 HA HIS 80 HA HIS 80 -7.372 13.631 -1.978 571 1HB HIS 80 2HB HIS 80 -8.003 16.004 -3.190 572 2HB HIS 80 3HB HIS 80 -7.197 15.162 -4.499 573 HD1 HIS 80 HD1 HIS 80 -10.186 15.730 -4.759 574 HD2 HIS 80 HD2 HIS 80 -8.654 12.201 -3.088 575 HE1 HIS 80 HE1 HIS 80 -12.029 13.979 -4.974 576 H VAL 81 HN VAL 81 -4.280 14.993 -2.469 577 HA VAL 81 HA VAL 81 -3.507 13.149 -4.552 578 HB VAL 81 HB VAL 81 -2.042 15.227 -2.922 579 1HG1 VAL 81 1HG1 VAL 81 -0.805 13.032 -3.932 580 2HG1 VAL 81 2HG1 VAL 81 -0.743 14.115 -5.344 581 3HG1 VAL 81 3HG1 VAL 81 -0.039 14.633 -3.794 582 1HG2 VAL 81 1HG2 VAL 81 -3.416 16.345 -4.457 583 2HG2 VAL 81 2HG2 VAL 81 -1.845 16.247 -5.288 584 3HG2 VAL 81 3HG2 VAL 81 -3.155 15.124 -5.727 585 H GLY 82 HN GLY 82 -1.364 13.763 -1.805 586 1HA GLY 82 1HA GLY 82 -0.589 11.144 -1.466 587 2HA GLY 82 2HA GLY 82 -0.467 12.404 -0.254 588 H ASP 83 HN ASP 83 -3.307 12.953 0.079 589 HA ASP 83 HA ASP 83 -4.794 12.328 1.567 590 1HB ASP 83 2HB ASP 83 -5.194 11.021 -0.826 591 2HB ASP 83 3HB ASP 83 -5.176 9.659 0.276 592 H LEU 84 HN LEU 84 -5.610 9.480 2.189 593 HA LEU 84 HA LEU 84 -5.064 7.754 3.469 594 1HB LEU 84 2HB LEU 84 -2.660 8.271 2.107 595 2HB LEU 84 3HB LEU 84 -2.215 8.080 3.791 596 HG LEU 84 HG LEU 84 -2.047 5.968 2.607 597 1HD1 LEU 84 1HD1 LEU 84 -2.478 5.509 4.814 598 2HD1 LEU 84 2HD1 LEU 84 -4.090 6.264 4.776 599 3HD1 LEU 84 3HD1 LEU 84 -3.837 4.668 4.029 600 1HD2 LEU 84 1HD2 LEU 84 -3.926 4.846 1.599 601 2HD2 LEU 84 2HD2 LEU 84 -5.023 6.163 2.075 602 3HD2 LEU 84 3HD2 LEU 84 -3.748 6.459 0.868 603 H GLY 85 HN GLY 85 -2.380 9.954 4.487 604 1HA GLY 85 1HA GLY 85 -2.594 11.500 6.273 605 2HA GLY 85 2HA GLY 85 -3.899 10.543 6.944 606 H ASN 86 HN ASN 86 -3.404 9.218 8.639 607 HA ASN 86 HA ASN 86 -0.623 8.357 8.805 608 1HB ASN 86 2HB ASN 86 -2.263 8.651 11.319 609 2HB ASN 86 3HB ASN 86 -0.540 8.875 11.096 610 1HD2 ASN 86 1HD2 ASN 86 0.016 10.862 11.519 611 2HD2 ASN 86 2HD2 ASN 86 -0.807 12.311 11.047 612 H VAL 87 HN VAL 87 -0.334 6.154 9.584 613 HA VAL 87 HA VAL 87 -2.846 4.637 9.772 614 HB VAL 87 HB VAL 87 -0.148 3.717 8.761 615 1HG1 VAL 87 1HG1 VAL 87 -2.870 2.373 8.814 616 2HG1 VAL 87 2HG1 VAL 87 -1.454 1.758 7.929 617 3HG1 VAL 87 3HG1 VAL 87 -1.408 1.883 9.704 618 1HG2 VAL 87 1HG2 VAL 87 -2.442 3.875 6.894 619 2HG2 VAL 87 2HG2 VAL 87 -1.779 5.438 7.428 620 3HG2 VAL 87 3HG2 VAL 87 -0.720 4.245 6.637 621 H THR 88 HN THR 88 -2.590 2.564 11.105 622 HA THR 88 HA THR 88 -0.733 3.059 13.338 623 HB THR 88 HB THR 88 -3.702 2.355 13.306 624 HG1 THR 88 1HG THR 88 -2.005 4.186 14.842 625 1HG2 THR 88 1HG2 THR 88 -2.924 2.535 15.974 626 2HG2 THR 88 2HG2 THR 88 -3.290 1.010 15.131 627 3HG2 THR 88 3HG2 THR 88 -1.606 1.571 15.265 628 H ALA 89 HN ALA 89 0.375 1.325 14.168 629 HA ALA 89 HA ALA 89 0.366 -1.008 12.464 630 1HB ALA 89 1HB ALA 89 2.547 -0.504 12.941 631 2HB ALA 89 2HB ALA 89 2.144 0.252 14.501 632 3HB ALA 89 3HB ALA 89 2.225 -1.521 14.366 633 H ASP 90 HN ASP 90 0.719 -3.200 13.807 634 HA ASP 90 HA ASP 90 -1.721 -3.469 15.264 635 1HB ASP 90 2HB ASP 90 -1.218 -5.253 13.744 636 2HB ASP 90 3HB ASP 90 0.441 -5.369 14.296 637 H LYS 91 HN LYS 91 1.117 -5.454 16.085 638 HA LYS 91 HA LYS 91 1.502 -3.976 18.572 639 1HB LYS 91 2HB LYS 91 1.168 -5.827 19.968 640 2HB LYS 91 3HB LYS 91 -0.195 -5.857 18.867 641 1HG LYS 91 2HG LYS 91 1.019 -7.535 17.437 642 2HG LYS 91 3HG LYS 91 2.349 -7.526 18.579 643 1HD LYS 91 2HD LYS 91 1.247 -8.878 20.054 644 2HD LYS 91 3HD LYS 91 -0.245 -7.970 19.911 645 1HE LYS 91 2HE LYS 91 -0.611 -9.107 17.641 646 2HE LYS 91 3HE LYS 91 0.766 -10.129 18.004 647 1HZ LYS 91 1HZ LYS 91 -1.867 -10.255 19.036 648 2HZ LYS 91 2HZ LYS 91 -0.696 -11.393 19.044 649 3HZ LYS 91 3HZ LYS 91 -0.754 -10.272 20.230 650 H ASP 92 HN ASP 92 2.823 -4.745 15.786 651 HA ASP 92 HA ASP 92 5.413 -5.001 16.973 652 1HB ASP 92 2HB ASP 92 4.055 -7.254 15.691 653 2HB ASP 92 3HB ASP 92 5.495 -6.828 14.789 654 H GLY 93 HN GLY 93 3.655 -3.099 15.349 655 1HA GLY 93 1HA GLY 93 4.321 -1.473 13.858 656 2HA GLY 93 2HA GLY 93 5.611 -2.504 13.273 657 H VAL 94 HN VAL 94 3.868 -4.908 12.927 658 HA VAL 94 HA VAL 94 3.279 -4.789 10.320 659 HB VAL 94 HB VAL 94 1.599 -6.218 12.386 660 1HG1 VAL 94 1HG1 VAL 94 1.805 -7.962 10.362 661 2HG1 VAL 94 2HG1 VAL 94 0.516 -6.738 10.445 662 3HG1 VAL 94 3HG1 VAL 94 1.952 -6.451 9.433 663 1HG2 VAL 94 1HG2 VAL 94 3.442 -8.056 11.596 664 2HG2 VAL 94 2HG2 VAL 94 4.423 -6.572 11.569 665 3HG2 VAL 94 3HG2 VAL 94 3.587 -7.059 13.063 666 H ALA 95 HN ALA 95 2.342 -3.022 9.356 667 HA ALA 95 HA ALA 95 -0.234 -2.155 10.463 668 1HB ALA 95 1HB ALA 95 1.912 -0.782 8.817 669 2HB ALA 95 2HB ALA 95 0.271 -0.112 8.983 670 3HB ALA 95 3HB ALA 95 1.292 -0.334 10.424 671 H ASP 96 HN ASP 96 -2.012 -2.884 9.420 672 HA ASP 96 HA ASP 96 -1.627 -3.674 6.644 673 1HB ASP 96 2HB ASP 96 -2.397 -5.555 7.896 674 2HB ASP 96 3HB ASP 96 -3.506 -4.586 8.844 675 H VAL 97 HN VAL 97 -3.277 -2.978 5.078 676 HA VAL 97 HA VAL 97 -5.069 -0.886 6.099 677 HB VAL 97 HB VAL 97 -3.455 -0.875 3.541 678 1HG1 VAL 97 1HG1 VAL 97 -5.461 1.113 4.652 679 2HG1 VAL 97 2HG1 VAL 97 -4.352 1.451 3.302 680 3HG1 VAL 97 3HG1 VAL 97 -5.585 0.178 3.143 681 1HG2 VAL 97 1HG2 VAL 97 -2.819 1.401 4.985 682 2HG2 VAL 97 2HG2 VAL 97 -2.929 0.141 6.238 683 3HG2 VAL 97 3HG2 VAL 97 -1.827 -0.071 4.857 684 H SER 98 HN SER 98 -6.942 -0.478 4.535 685 HA SER 98 HA SER 98 -7.538 -2.408 2.618 686 1HB SER 98 2HB SER 98 -9.506 -3.463 3.858 687 2HB SER 98 3HB SER 98 -7.916 -3.996 4.366 688 HG SER 98 HG SER 98 -9.756 -2.255 5.715 689 H ILE 99 HN ILE 99 -8.143 -0.564 1.398 690 HA ILE 99 HA ILE 99 -10.630 0.685 2.309 691 HB ILE 99 HB ILE 99 -8.205 2.103 1.202 692 1HG1 ILE 99 2HG1 ILE 99 -9.487 2.927 3.749 693 2HG1 ILE 99 3HG1 ILE 99 -8.644 1.391 3.782 694 1HG2 ILE 99 1HG2 ILE 99 -9.593 4.165 1.480 695 2HG2 ILE 99 2HG2 ILE 99 -10.131 3.081 0.175 696 3HG2 ILE 99 3HG2 ILE 99 -11.010 3.117 1.723 697 1HD1 ILE 99 1HD1 ILE 99 -6.954 3.170 2.328 698 2HD1 ILE 99 2HD1 ILE 99 -7.532 4.069 3.752 699 3HD1 ILE 99 3HD1 ILE 99 -6.689 2.515 3.962 700 H GLU 100 HN GLU 100 -12.041 1.377 0.581 701 HA GLU 100 HA GLU 100 -11.231 0.352 -2.019 702 1HB GLU 100 2HB GLU 100 -13.793 -0.315 -2.186 703 2HB GLU 100 3HB GLU 100 -12.639 -1.403 -1.441 704 1HG GLU 100 2HG GLU 100 -13.938 0.648 0.340 705 2HG GLU 100 3HG GLU 100 -14.941 -0.677 -0.218 706 H ASP 101 HN ASP 101 -10.853 2.478 -2.798 707 HA ASP 101 HA ASP 101 -13.102 4.292 -2.599 708 1HB ASP 101 2HB ASP 101 -10.167 4.541 -2.913 709 2HB ASP 101 3HB ASP 101 -11.055 5.602 -3.988 710 H SER 102 HN SER 102 -14.103 5.145 -4.545 711 HA SER 102 HA SER 102 -13.337 3.681 -6.949 712 1HB SER 102 2HB SER 102 -15.782 4.231 -7.643 713 2HB SER 102 3HB SER 102 -15.528 2.970 -6.453 714 HG SER 102 HG SER 102 -17.215 4.721 -6.013 715 H VAL 103 HN VAL 103 -11.703 5.656 -6.881 716 HA VAL 103 HA VAL 103 -12.852 7.672 -8.627 717 HB VAL 103 HB VAL 103 -11.451 8.272 -6.018 718 1HG1 VAL 103 1HG1 VAL 103 -12.393 10.529 -7.678 719 2HG1 VAL 103 2HG1 VAL 103 -10.914 10.355 -6.703 720 3HG1 VAL 103 3HG1 VAL 103 -10.994 9.645 -8.333 721 1HG2 VAL 103 1HG2 VAL 103 -13.866 7.835 -5.832 722 2HG2 VAL 103 2HG2 VAL 103 -13.479 9.538 -5.490 723 3HG2 VAL 103 3HG2 VAL 103 -14.186 9.084 -7.059 724 H ILE 104 HN ILE 104 -9.903 6.513 -6.857 725 HA ILE 104 HA ILE 104 -8.092 7.529 -8.726 726 HB ILE 104 HB ILE 104 -6.470 6.402 -7.534 727 1HG1 ILE 104 2HG1 ILE 104 -7.301 4.124 -7.931 728 2HG1 ILE 104 3HG1 ILE 104 -6.766 4.353 -6.278 729 1HG2 ILE 104 1HG2 ILE 104 -6.871 6.949 -5.319 730 2HG2 ILE 104 2HG2 ILE 104 -8.056 7.954 -6.189 731 3HG2 ILE 104 3HG2 ILE 104 -8.578 6.450 -5.392 732 1HD1 ILE 104 1HD1 ILE 104 -9.059 4.580 -5.482 733 2HD1 ILE 104 2HD1 ILE 104 -9.680 4.604 -7.150 734 3HD1 ILE 104 3HD1 ILE 104 -8.963 3.115 -6.488 735 H SER 105 HN SER 105 -6.482 5.760 -9.829 736 HA SER 105 HA SER 105 -7.923 3.587 -10.962 737 1HB SER 105 2HB SER 105 -8.760 5.410 -12.392 738 2HB SER 105 3HB SER 105 -7.126 5.953 -12.714 739 HG SER 105 HG SER 105 -8.565 4.033 -14.008 740 H LEU 106 HN LEU 106 -6.472 2.141 -12.185 741 HA LEU 106 HA LEU 106 -3.848 2.177 -11.159 742 1HB LEU 106 2HB LEU 106 -5.521 0.450 -12.854 743 2HB LEU 106 3HB LEU 106 -3.806 0.367 -13.205 744 HG LEU 106 HG LEU 106 -3.268 -0.455 -11.077 745 1HD1 LEU 106 1HD1 LEU 106 -5.006 -0.577 -9.225 746 2HD1 LEU 106 2HD1 LEU 106 -4.356 1.034 -9.609 747 3HD1 LEU 106 3HD1 LEU 106 -5.970 0.564 -10.193 748 1HD2 LEU 106 1HD2 LEU 106 -4.211 -2.499 -11.191 749 2HD2 LEU 106 2HD2 LEU 106 -5.872 -1.859 -11.175 750 3HD2 LEU 106 3HD2 LEU 106 -4.930 -1.852 -12.686 751 H SER 107 HN SER 107 -5.318 3.048 -14.330 752 HA SER 107 HA SER 107 -2.936 4.583 -14.848 753 1HB SER 107 2HB SER 107 -4.015 2.507 -16.806 754 2HB SER 107 3HB SER 107 -2.787 3.695 -17.196 755 HG SER 107 HG SER 107 -2.491 1.273 -15.966 756 H GLY 108 HN GLY 108 -3.951 6.579 -14.911 757 1HA GLY 108 1HA GLY 108 -5.594 7.248 -17.110 758 2HA GLY 108 2HA GLY 108 -6.588 7.042 -15.682 759 H ASP 109 HN ASP 109 -7.129 9.183 -15.232 760 HA ASP 109 HA ASP 109 -5.221 11.232 -15.416 761 1HB ASP 109 2HB ASP 109 -8.052 10.942 -14.873 762 2HB ASP 109 3HB ASP 109 -7.360 11.971 -13.636 763 H HIS 110 HN HIS 110 -6.765 9.343 -12.731 764 HA HIS 110 HA HIS 110 -4.895 10.581 -10.863 765 1HB HIS 110 2HB HIS 110 -7.594 9.321 -10.618 766 2HB HIS 110 3HB HIS 110 -6.504 9.188 -9.252 767 HD1 HIS 110 HD1 HIS 110 -7.436 12.100 -11.591 768 HD2 HIS 110 HD2 HIS 110 -7.042 11.205 -7.512 769 HE1 HIS 110 HE1 HIS 110 -7.996 14.247 -10.330 770 H SER 111 HN SER 111 -3.536 8.975 -12.549 771 HA SER 111 HA SER 111 -3.549 6.298 -12.124 772 1HB SER 111 2HB SER 111 -2.140 7.746 -13.751 773 2HB SER 111 3HB SER 111 -0.987 7.905 -12.441 774 HG SER 111 HG SER 111 -0.232 5.976 -12.946 775 H ILE 112 HN ILE 112 -3.130 5.000 -10.370 776 HA ILE 112 HA ILE 112 -2.071 6.274 -7.996 777 HB ILE 112 HB ILE 112 -2.780 4.264 -6.861 778 1HG1 ILE 112 2HG1 ILE 112 -4.178 2.633 -8.432 779 2HG1 ILE 112 3HG1 ILE 112 -3.039 3.191 -9.642 780 1HG2 ILE 112 1HG2 ILE 112 -4.615 5.819 -8.591 781 2HG2 ILE 112 2HG2 ILE 112 -5.278 4.329 -7.879 782 3HG2 ILE 112 3HG2 ILE 112 -4.603 5.594 -6.825 783 1HD1 ILE 112 1HD1 ILE 112 -1.183 2.282 -8.529 784 2HD1 ILE 112 2HD1 ILE 112 -1.990 2.319 -6.943 785 3HD1 ILE 112 3HD1 ILE 112 -2.448 1.090 -8.146 786 H ILE 113 HN ILE 113 -1.069 4.166 -10.626 787 HA ILE 113 HA ILE 113 0.954 2.738 -9.452 788 HB ILE 113 HB ILE 113 0.788 3.953 -12.211 789 1HG1 ILE 113 2HG1 ILE 113 -1.072 2.406 -11.429 790 2HG1 ILE 113 3HG1 ILE 113 -0.252 1.969 -12.915 791 1HG2 ILE 113 1HG2 ILE 113 2.811 2.182 -10.935 792 2HG2 ILE 113 2HG2 ILE 113 2.300 1.784 -12.593 793 3HG2 ILE 113 3HG2 ILE 113 2.986 3.386 -12.234 794 1HD1 ILE 113 1HD1 ILE 113 0.723 0.859 -10.267 795 2HD1 ILE 113 2HD1 ILE 113 -0.655 0.113 -11.110 796 3HD1 ILE 113 3HD1 ILE 113 0.936 0.192 -11.903 797 H GLY 114 HN GLY 114 3.199 3.080 -9.101 798 1HA GLY 114 1HA GLY 114 5.116 4.316 -8.900 799 2HA GLY 114 2HA GLY 114 4.287 5.738 -9.503 800 H ARG 115 HN ARG 115 2.042 4.810 -7.380 801 HA ARG 115 HA ARG 115 3.069 6.576 -5.392 802 1HB ARG 115 2HB ARG 115 0.845 6.696 -4.597 803 2HB ARG 115 3HB ARG 115 0.607 6.378 -6.304 804 1HG ARG 115 2HG ARG 115 0.422 3.913 -5.785 805 2HG ARG 115 3HG ARG 115 0.572 4.284 -4.079 806 1HD ARG 115 2HD ARG 115 -1.572 5.640 -5.753 807 2HD ARG 115 3HD ARG 115 -1.834 4.026 -5.122 808 HE ARG 115 HE ARG 115 -0.879 5.749 -3.016 809 1HH1 ARG 115 2HH2 ARG 115 -3.750 5.080 -4.938 810 2HH1 ARG 115 1HH2 ARG 115 -4.849 5.645 -3.725 811 1HH2 ARG 115 2HH1 ARG 115 -2.329 6.494 -1.415 812 2HH2 ARG 115 1HH1 ARG 115 -4.036 6.454 -1.707 813 H THR 116 HN THR 116 3.856 5.989 -3.355 814 HA THR 116 HA THR 116 3.566 3.162 -2.595 815 HB THR 116 HB THR 116 5.801 3.219 -3.386 816 HG1 THR 116 1HG THR 116 5.762 2.620 -1.125 817 1HG2 THR 116 1HG2 THR 116 5.910 6.036 -2.196 818 2HG2 THR 116 2HG2 THR 116 7.360 5.146 -2.718 819 3HG2 THR 116 3HG2 THR 116 6.109 5.584 -3.906 820 H LEU 117 HN LEU 117 3.657 2.728 -0.306 821 HA LEU 117 HA LEU 117 2.607 5.008 1.173 822 1HB LEU 117 2HB LEU 117 2.409 2.039 1.391 823 2HB LEU 117 3HB LEU 117 2.231 2.995 2.849 824 HG LEU 117 HG LEU 117 0.076 2.427 1.803 825 1HD1 LEU 117 1HD1 LEU 117 0.960 5.221 2.282 826 2HD1 LEU 117 2HD1 LEU 117 -0.622 5.000 1.496 827 3HD1 LEU 117 3HD1 LEU 117 -0.305 4.256 3.081 828 1HD2 LEU 117 1HD2 LEU 117 0.463 4.358 -0.423 829 2HD2 LEU 117 2HD2 LEU 117 1.240 2.765 -0.587 830 3HD2 LEU 117 3HD2 LEU 117 -0.519 2.876 -0.336 831 H VAL 118 HN VAL 118 5.087 5.697 0.838 832 HA VAL 118 HA VAL 118 7.080 4.498 2.305 833 HB VAL 118 HB VAL 118 6.693 7.468 1.909 834 1HG1 VAL 118 1HG1 VAL 118 9.345 6.867 1.468 835 2HG1 VAL 118 2HG1 VAL 118 8.665 7.497 2.988 836 3HG1 VAL 118 3HG1 VAL 118 8.912 5.746 2.781 837 1HG2 VAL 118 1HG2 VAL 118 8.125 6.897 -0.227 838 2HG2 VAL 118 2HG2 VAL 118 7.366 5.296 -0.053 839 3HG2 VAL 118 3HG2 VAL 118 6.352 6.745 -0.258 840 H VAL 119 HN VAL 119 7.415 4.164 4.442 841 HA VAL 119 HA VAL 119 5.502 5.179 6.301 842 HB VAL 119 HB VAL 119 6.674 3.837 7.899 843 1HG1 VAL 119 1HG1 VAL 119 5.484 2.215 6.901 844 2HG1 VAL 119 2HG1 VAL 119 5.910 2.783 5.269 845 3HG1 VAL 119 3HG1 VAL 119 7.023 1.717 6.159 846 1HG2 VAL 119 1HG2 VAL 119 8.828 3.048 7.735 847 2HG2 VAL 119 2HG2 VAL 119 8.809 3.034 5.955 848 3HG2 VAL 119 3HG2 VAL 119 8.983 4.574 6.831 849 H HIS 120 HN HIS 120 6.728 5.913 8.568 850 HA HIS 120 HA HIS 120 8.710 7.919 7.875 851 1HB HIS 120 2HB HIS 120 5.920 8.457 8.732 852 2HB HIS 120 3HB HIS 120 7.161 9.382 9.554 853 HD1 HIS 120 HD1 HIS 120 9.067 9.571 6.936 854 HD2 HIS 120 HD2 HIS 120 5.013 10.617 7.200 855 HE1 HIS 120 HE1 HIS 120 8.638 11.249 5.063 856 H GLU 121 HN GLU 121 9.843 8.772 9.822 857 HA GLU 121 HA GLU 121 10.453 6.679 11.541 858 1HB GLU 121 2HB GLU 121 11.449 9.292 10.937 859 2HB GLU 121 3HB GLU 121 11.222 9.234 12.674 860 1HG GLU 121 2HG GLU 121 12.375 6.777 12.265 861 2HG GLU 121 3HG GLU 121 13.107 7.676 10.951 862 H LYS 122 HN LYS 122 7.771 8.788 11.495 863 HA LYS 122 HA LYS 122 6.753 7.753 13.897 864 1HB LYS 122 2HB LYS 122 8.513 9.891 14.329 865 2HB LYS 122 3HB LYS 122 6.918 10.611 14.426 866 1HG LYS 122 2HG LYS 122 6.380 8.439 15.902 867 2HG LYS 122 3HG LYS 122 8.118 8.420 16.126 868 1HD LYS 122 2HD LYS 122 8.121 10.627 17.111 869 2HD LYS 122 3HD LYS 122 6.479 10.945 16.589 870 1HE LYS 122 2HE LYS 122 5.569 9.325 18.157 871 2HE LYS 122 3HE LYS 122 7.159 8.683 18.519 872 1HZ LYS 122 1HZ LYS 122 7.371 10.214 20.063 873 2HZ LYS 122 2HZ LYS 122 7.172 11.426 18.987 874 3HZ LYS 122 3HZ LYS 122 5.875 10.789 19.749 875 H ALA 123 HN ALA 123 4.839 9.713 14.512 876 HA ALA 123 HA ALA 123 3.469 9.939 11.920 877 1HB ALA 123 1HB ALA 123 2.665 8.961 14.598 878 2HB ALA 123 2HB ALA 123 1.499 10.065 13.831 879 3HB ALA 123 3HB ALA 123 2.000 8.578 12.992 880 H ASP 124 HN ASP 124 1.486 11.695 12.427 881 HA ASP 124 HA ASP 124 2.999 14.060 13.175 882 1HB ASP 124 2HB ASP 124 2.074 14.041 10.882 883 2HB ASP 124 3HB ASP 124 0.471 13.703 11.501 884 H ASP 125 HN ASP 125 1.101 11.875 14.656 885 HA ASP 125 HA ASP 125 -0.355 11.826 16.266 886 1HB ASP 125 2HB ASP 125 1.519 13.635 17.026 887 2HB ASP 125 3HB ASP 125 0.125 14.697 17.034 888 H LEU 126 HN LEU 126 -1.400 12.652 13.694 889 HA LEU 126 HA LEU 126 -3.167 13.555 12.727 890 1HB LEU 126 2HB LEU 126 -4.078 13.329 15.570 891 2HB LEU 126 3HB LEU 126 -5.109 14.118 14.393 892 HG LEU 126 HG LEU 126 -4.005 11.369 13.849 893 1HD1 LEU 126 1HD1 LEU 126 -5.631 10.274 15.061 894 2HD1 LEU 126 2HD1 LEU 126 -5.215 11.618 16.151 895 3HD1 LEU 126 3HD1 LEU 126 -6.686 11.704 15.153 896 1HD2 LEU 126 1HD2 LEU 126 -6.001 11.155 12.461 897 2HD2 LEU 126 2HD2 LEU 126 -6.536 12.779 12.956 898 3HD2 LEU 126 3HD2 LEU 126 -5.049 12.585 11.997 899 H GLY 127 HN GLY 127 -0.881 15.256 13.890 900 1HA GLY 127 1HA GLY 127 -0.699 17.520 13.063 901 2HA GLY 127 2HA GLY 127 -2.309 17.838 13.678 902 H LYS 128 HN LYS 128 0.912 18.377 14.290 903 HA LYS 128 HA LYS 128 0.660 18.152 17.187 904 1HB LYS 128 2HB LYS 128 3.025 18.710 15.376 905 2HB LYS 128 3HB LYS 128 3.105 18.750 17.126 906 1HG LYS 128 2HG LYS 128 2.429 16.394 17.274 907 2HG LYS 128 3HG LYS 128 2.118 16.328 15.551 908 1HD LYS 128 2HD LYS 128 4.387 16.287 14.991 909 2HD LYS 128 3HD LYS 128 4.869 17.195 16.410 910 1HE LYS 128 2HE LYS 128 3.675 14.687 17.263 911 2HE LYS 128 3HE LYS 128 4.896 14.350 16.052 912 1HZ LYS 128 1HZ LYS 128 6.099 16.177 17.579 913 2HZ LYS 128 2HZ LYS 128 5.214 15.378 18.694 914 3HZ LYS 128 3HZ LYS 128 6.276 14.564 17.759 915 H GLY 129 HN GLY 129 -1.048 20.022 15.767 916 1HA GLY 129 1HA GLY 129 -1.779 22.094 16.470 917 2HA GLY 129 2HA GLY 129 -0.199 22.449 17.140 918 H GLY 130 HN GLY 130 0.772 21.213 14.311 919 1HA GLY 130 1HA GLY 130 0.846 22.018 12.118 920 2HA GLY 130 2HA GLY 130 0.150 23.541 12.636 921 H ASN 131 HN ASN 131 3.003 22.028 11.664 922 HA ASN 131 HA ASN 131 4.507 24.290 12.643 923 1HB ASN 131 2HB ASN 131 5.023 21.398 13.310 924 2HB ASN 131 3HB ASN 131 6.431 22.362 12.908 925 1HD2 ASN 131 1HD2 ASN 131 5.643 21.160 15.432 926 2HD2 ASN 131 2HD2 ASN 131 5.544 22.428 16.609 927 H GLU 132 HN GLU 132 6.475 24.659 11.277 928 HA GLU 132 HA GLU 132 6.057 24.299 8.630 929 1HB GLU 132 2HB GLU 132 8.335 25.062 8.305 930 2HB GLU 132 3HB GLU 132 7.684 25.889 9.706 931 1HG GLU 132 2HG GLU 132 8.752 23.964 11.112 932 2HG GLU 132 3HG GLU 132 9.640 23.559 9.657 933 H GLN 133 HN GLN 133 7.121 21.954 10.963 934 HA GLN 133 HA GLN 133 8.203 20.283 8.848 935 1HB GLN 133 2HB GLN 133 9.034 20.757 11.490 936 2HB GLN 133 3HB GLN 133 8.292 19.171 11.570 937 1HG GLN 133 2HG GLN 133 9.714 18.374 9.702 938 2HG GLN 133 3HG GLN 133 10.406 19.973 9.515 939 1HE2 GLN 133 1HE2 GLN 133 12.476 19.272 9.901 940 2HE2 GLN 133 2HE2 GLN 133 13.062 18.816 11.466 941 H SER 134 HN SER 134 5.505 20.680 11.107 942 HA SER 134 HA SER 134 4.577 18.011 10.641 943 1HB SER 134 2HB SER 134 3.677 20.361 12.304 944 2HB SER 134 3HB SER 134 2.508 19.108 11.938 945 HG SER 134 HG SER 134 3.674 17.605 13.081 946 H THR 135 HN THR 135 3.462 21.408 9.971 947 HA THR 135 HA THR 135 1.178 20.904 8.589 948 HB THR 135 HB THR 135 1.659 23.099 7.502 949 HG1 THR 135 1HG THR 135 4.277 22.638 8.744 950 1HG2 THR 135 1HG2 THR 135 3.090 23.751 9.965 951 2HG2 THR 135 2HG2 THR 135 1.429 24.188 9.499 952 3HG2 THR 135 3HG2 THR 135 1.745 22.640 10.319 953 H LYS 136 HN LYS 136 4.453 20.081 7.636 954 HA LYS 136 HA LYS 136 3.519 19.547 4.919 955 1HB LYS 136 2HB LYS 136 5.864 19.356 4.338 956 2HB LYS 136 3HB LYS 136 5.571 20.873 5.163 957 1HG LYS 136 2HG LYS 136 6.926 20.314 6.915 958 2HG LYS 136 3HG LYS 136 6.236 18.710 7.053 959 1HD LYS 136 2HD LYS 136 8.342 18.087 6.339 960 2HD LYS 136 3HD LYS 136 7.614 18.321 4.763 961 1HE LYS 136 2HE LYS 136 8.445 20.903 5.402 962 2HE LYS 136 3HE LYS 136 9.704 19.926 6.131 963 1HZ LYS 136 1HZ LYS 136 9.266 20.452 3.425 964 2HZ LYS 136 2HZ LYS 136 10.520 19.672 4.120 965 3HZ LYS 136 3HZ LYS 136 9.194 18.838 3.660 966 H THR 137 HN THR 137 4.617 18.035 7.951 967 HA THR 137 HA THR 137 3.666 15.485 6.928 968 HB THR 137 HB THR 137 5.781 14.348 7.509 969 HG1 THR 137 1HG THR 137 7.540 15.851 8.208 970 1HG2 THR 137 1HG2 THR 137 7.350 15.363 5.896 971 2HG2 THR 137 2HG2 THR 137 5.708 15.418 5.211 972 3HG2 THR 137 3HG2 THR 137 6.427 16.885 5.918 973 H GLY 138 HN GLY 138 5.778 15.542 9.708 974 1HA GLY 138 1HA GLY 138 3.796 16.235 11.639 975 2HA GLY 138 2HA GLY 138 3.924 14.497 11.454 976 H ASN 139 HN ASN 139 6.564 16.928 11.055 977 HA ASN 139 HA ASN 139 8.487 17.157 12.029 978 1HB ASN 139 2HB ASN 139 6.827 17.585 14.032 979 2HB ASN 139 3HB ASN 139 7.344 16.016 14.616 980 1HD2 ASN 139 1HD2 ASN 139 7.992 19.309 14.484 981 2HD2 ASN 139 2HD2 ASN 139 9.594 19.333 15.142 982 H ALA 140 HN ALA 140 7.464 14.385 11.020 983 HA ALA 140 HA ALA 140 9.735 12.884 12.042 984 1HB ALA 140 1HB ALA 140 6.903 12.333 12.654 985 2HB ALA 140 2HB ALA 140 7.764 10.944 11.948 986 3HB ALA 140 3HB ALA 140 8.381 11.714 13.429 987 H GLY 141 HN GLY 141 8.941 14.367 9.542 988 1HA GLY 141 1HA GLY 141 8.194 12.459 7.569 989 2HA GLY 141 2HA GLY 141 8.855 14.061 7.309 990 H SER 142 HN SER 142 9.778 10.697 8.275 991 HA SER 142 HA SER 142 12.313 11.204 6.927 992 1HB SER 142 2HB SER 142 12.015 10.724 9.664 993 2HB SER 142 3HB SER 142 12.409 9.137 9.036 994 HG SER 142 HG SER 142 13.977 11.508 9.091 995 H ARG 143 HN ARG 143 11.212 10.285 5.010 996 HA ARG 143 HA ARG 143 9.842 8.025 4.838 997 1HB ARG 143 2HB ARG 143 12.087 8.880 2.941 998 2HB ARG 143 3HB ARG 143 10.800 7.766 2.524 999 1HG ARG 143 2HG ARG 143 9.662 9.609 1.811 1000 2HG ARG 143 3HG ARG 143 9.358 9.921 3.509 1001 1HD ARG 143 2HD ARG 143 11.967 10.940 3.045 1002 2HD ARG 143 3HD ARG 143 11.045 11.413 1.632 1003 HE ARG 143 HE ARG 143 10.786 12.542 4.249 1004 1HH1 ARG 143 2HH2 ARG 143 8.779 11.477 1.562 1005 2HH1 ARG 143 1HH2 ARG 143 7.485 12.569 1.929 1006 1HH2 ARG 143 2HH1 ARG 143 9.079 13.983 4.734 1007 2HH2 ARG 143 1HH1 ARG 143 7.657 14.004 3.746 1008 H LEU 144 HN LEU 144 10.607 5.796 3.887 1009 HA LEU 144 HA LEU 144 13.242 5.020 4.808 1010 1HB LEU 144 2HB LEU 144 10.710 3.793 5.907 1011 2HB LEU 144 3HB LEU 144 12.312 3.108 6.089 1012 HG LEU 144 HG LEU 144 11.690 5.896 7.058 1013 1HD1 LEU 144 1HD1 LEU 144 10.792 3.324 8.201 1014 2HD1 LEU 144 2HD1 LEU 144 11.585 4.438 9.340 1015 3HD1 LEU 144 3HD1 LEU 144 10.157 4.972 8.421 1016 1HD2 LEU 144 1HD2 LEU 144 14.069 5.024 6.801 1017 2HD2 LEU 144 2HD2 LEU 144 13.616 5.678 8.393 1018 3HD2 LEU 144 3HD2 LEU 144 13.695 3.917 8.144 1019 H ALA 145 HN ALA 145 10.205 3.219 3.992 1020 HA ALA 145 HA ALA 145 11.701 1.967 1.816 1021 1HB ALA 145 1HB ALA 145 9.188 0.745 2.084 1022 2HB ALA 145 2HB ALA 145 10.738 0.146 2.723 1023 3HB ALA 145 3HB ALA 145 9.676 1.140 3.749 1024 H CYS 146 HN CYS 146 10.288 1.460 -0.202 1025 HA CYS 146 HA CYS 146 8.237 3.401 -0.705 1026 1HB CYS 146 2HB CYS 146 9.456 4.186 -2.818 1027 2HB CYS 146 3HB CYS 146 9.888 4.904 -1.279 1028 H GLY 147 HN GLY 147 7.428 1.003 -0.639 1029 1HA GLY 147 1HA GLY 147 8.092 -0.980 -2.366 1030 2HA GLY 147 2HA GLY 147 6.454 -0.633 -1.850 1031 H VAL 148 HN VAL 148 5.372 1.327 -3.075 1032 HA VAL 148 HA VAL 148 4.887 2.414 -4.976 1033 HB VAL 148 HB VAL 148 7.128 0.921 -6.343 1034 1HG1 VAL 148 1HG1 VAL 148 6.698 3.578 -7.319 1035 2HG1 VAL 148 2HG1 VAL 148 6.497 2.028 -8.171 1036 3HG1 VAL 148 3HG1 VAL 148 5.133 2.733 -7.271 1037 1HG2 VAL 148 1HG2 VAL 148 7.668 3.701 -5.575 1038 2HG2 VAL 148 2HG2 VAL 148 7.466 2.611 -4.182 1039 3HG2 VAL 148 3HG2 VAL 148 8.687 2.249 -5.425 1040 H ILE 149 HN ILE 149 2.866 1.510 -5.198 1041 HA ILE 149 HA ILE 149 2.401 -1.173 -5.755 1042 HB ILE 149 HB ILE 149 0.709 1.287 -6.198 1043 1HG1 ILE 149 2HG1 ILE 149 -0.210 -0.348 -4.064 1044 2HG1 ILE 149 3HG1 ILE 149 1.518 -0.158 -3.846 1045 1HG2 ILE 149 1HG2 ILE 149 -0.297 -1.558 -6.057 1046 2HG2 ILE 149 2HG2 ILE 149 -1.184 -0.083 -6.512 1047 3HG2 ILE 149 3HG2 ILE 149 0.068 -0.738 -7.595 1048 1HD1 ILE 149 1HD1 ILE 149 1.365 2.103 -3.448 1049 2HD1 ILE 149 2HD1 ILE 149 0.053 2.325 -4.631 1050 3HD1 ILE 149 3HD1 ILE 149 -0.309 1.685 -3.010 1051 H GLY 150 HN GLY 150 2.722 -2.371 -7.547 1052 1HA GLY 150 1HA GLY 150 2.730 -0.957 -10.144 1053 2HA GLY 150 2HA GLY 150 3.980 -2.106 -9.709 1054 H ILE 151 HN ILE 151 1.641 -2.006 -11.795 1055 HA ILE 151 HA ILE 151 -0.242 -3.922 -11.176 1056 HB ILE 151 HB ILE 151 1.002 -3.061 -13.780 1057 1HG1 ILE 151 2HG1 ILE 151 -0.290 -1.373 -12.524 1058 2HG1 ILE 151 3HG1 ILE 151 -1.019 -1.780 -14.065 1059 1HG2 ILE 151 1HG2 ILE 151 -1.065 -5.163 -13.245 1060 2HG2 ILE 151 2HG2 ILE 151 -1.208 -4.139 -14.693 1061 3HG2 ILE 151 3HG2 ILE 151 0.250 -5.129 -14.444 1062 1HD1 ILE 151 1HD1 ILE 151 -2.942 -2.184 -12.934 1063 2HD1 ILE 151 2HD1 ILE 151 -2.153 -3.634 -12.268 1064 3HD1 ILE 151 3HD1 ILE 151 -2.104 -2.100 -11.366 1065 H ALA 152 HN ALA 152 -0.414 -6.195 -11.663 1066 HA ALA 152 HA ALA 152 2.039 -7.563 -12.365 1067 1HB ALA 152 1HB ALA 152 2.155 -7.203 -9.887 1068 2HB ALA 152 2HB ALA 152 0.624 -8.096 -9.722 1069 3HB ALA 152 3HB ALA 152 2.072 -8.921 -10.345 1070 H GLN 153 HN GLN 153 1.477 -10.097 -12.267 1071 HA GLN 153 HA GLN 153 -1.167 -10.281 -13.479 1072 1HB GLN 153 2HB GLN 153 1.357 -11.021 -14.480 1073 2HB GLN 153 3HB GLN 153 0.634 -12.542 -13.999 1074 1HG GLN 153 2HG GLN 153 -1.441 -11.059 -15.289 1075 2HG GLN 153 3HG GLN 153 -0.013 -10.855 -16.284 1076 1HE2 GLN 153 1HE2 GLN 153 -1.377 -12.082 -17.791 1077 2HE2 GLN 153 2HE2 GLN 153 -1.318 -13.813 -17.771 Start of MODEL 21 1 1H ALA 1 HN ALA 1 -8.430 -9.458 -14.631 2 HA ALA 1 HA ALA 1 -8.511 -6.637 -14.707 3 1HB ALA 1 1HB ALA 1 -9.723 -7.333 -12.916 4 2HB ALA 1 2HB ALA 1 -8.778 -8.831 -12.735 5 3HB ALA 1 3HB ALA 1 -8.159 -7.302 -12.066 6 H THR 2 HN THR 2 -7.016 -5.797 -12.487 7 HA THR 2 HA THR 2 -4.250 -6.425 -13.269 8 HB THR 2 HB THR 2 -5.719 -3.985 -13.724 9 HG1 THR 2 1HG THR 2 -2.909 -4.836 -13.736 10 1HG2 THR 2 1HG2 THR 2 -3.460 -3.815 -11.664 11 2HG2 THR 2 2HG2 THR 2 -3.990 -2.437 -12.659 12 3HG2 THR 2 3HG2 THR 2 -5.112 -3.174 -11.490 13 H LYS 3 HN LYS 3 -2.883 -6.861 -11.632 14 HA LYS 3 HA LYS 3 -3.836 -6.164 -8.944 15 1HB LYS 3 2HB LYS 3 -4.216 -8.563 -9.436 16 2HB LYS 3 3HB LYS 3 -2.509 -8.763 -9.773 17 1HG LYS 3 2HG LYS 3 -2.342 -7.565 -7.320 18 2HG LYS 3 3HG LYS 3 -3.894 -8.361 -7.146 19 1HD LYS 3 2HD LYS 3 -2.710 -10.229 -6.602 20 2HD LYS 3 3HD LYS 3 -2.353 -10.364 -8.313 21 1HE LYS 3 2HE LYS 3 -0.264 -9.081 -8.030 22 2HE LYS 3 3HE LYS 3 -0.641 -8.769 -6.347 23 1HZ LYS 3 1HZ LYS 3 0.493 -11.074 -7.508 24 2HZ LYS 3 2HZ LYS 3 0.427 -10.637 -5.936 25 3HZ LYS 3 3HZ LYS 3 -0.811 -11.466 -6.605 26 H ALA 4 HN ALA 4 -2.535 -4.483 -8.375 27 HA ALA 4 HA ALA 4 0.218 -4.480 -9.257 28 1HB ALA 4 1HB ALA 4 -1.779 -2.560 -8.445 29 2HB ALA 4 2HB ALA 4 -0.328 -2.364 -7.432 30 3HB ALA 4 3HB ALA 4 -0.194 -2.273 -9.204 31 H VAL 5 HN VAL 5 2.039 -4.343 -7.765 32 HA VAL 5 HA VAL 5 1.416 -5.416 -5.106 33 HB VAL 5 HB VAL 5 3.772 -6.267 -6.787 34 1HG1 VAL 5 1HG1 VAL 5 2.606 -7.086 -4.139 35 2HG1 VAL 5 2HG1 VAL 5 3.510 -8.269 -5.114 36 3HG1 VAL 5 3HG1 VAL 5 4.298 -6.764 -4.585 37 1HG2 VAL 5 1HG2 VAL 5 2.445 -7.565 -8.022 38 2HG2 VAL 5 2HG2 VAL 5 1.935 -8.413 -6.542 39 3HG2 VAL 5 3HG2 VAL 5 1.011 -7.008 -7.127 40 H ALA 6 HN ALA 6 3.203 -4.997 -3.510 41 HA ALA 6 HA ALA 6 5.083 -2.943 -4.249 42 1HB ALA 6 1HB ALA 6 3.457 -1.357 -3.824 43 2HB ALA 6 2HB ALA 6 2.581 -2.403 -2.681 44 3HB ALA 6 3HB ALA 6 4.083 -1.594 -2.175 45 H VAL 7 HN VAL 7 6.619 -4.565 -3.656 46 HA VAL 7 HA VAL 7 6.453 -5.668 -0.997 47 HB VAL 7 HB VAL 7 8.418 -6.909 -1.644 48 1HG1 VAL 7 1HG1 VAL 7 7.286 -7.491 -4.148 49 2HG1 VAL 7 2HG1 VAL 7 6.926 -8.274 -2.591 50 3HG1 VAL 7 3HG1 VAL 7 5.937 -6.903 -3.147 51 1HG2 VAL 7 1HG2 VAL 7 8.990 -6.444 -4.269 52 2HG2 VAL 7 2HG2 VAL 7 8.640 -4.794 -3.700 53 3HG2 VAL 7 3HG2 VAL 7 9.903 -5.762 -2.902 54 H LEU 8 HN LEU 8 6.481 -3.595 0.170 55 HA LEU 8 HA LEU 8 8.301 -1.622 -0.015 56 1HB LEU 8 2HB LEU 8 6.739 -2.838 2.182 57 2HB LEU 8 3HB LEU 8 8.080 -1.823 2.673 58 HG LEU 8 HG LEU 8 7.165 0.099 1.660 59 1HD1 LEU 8 1HD1 LEU 8 6.019 -1.762 -0.192 60 2HD1 LEU 8 2HD1 LEU 8 4.736 -0.705 0.444 61 3HD1 LEU 8 3HD1 LEU 8 6.177 0.007 -0.321 62 1HD2 LEU 8 1HD2 LEU 8 5.940 0.082 3.549 63 2HD2 LEU 8 2HD2 LEU 8 4.586 -0.202 2.429 64 3HD2 LEU 8 3HD2 LEU 8 5.340 -1.572 3.278 65 H LYS 9 HN LYS 9 10.473 -1.383 0.146 66 HA LYS 9 HA LYS 9 12.071 -3.681 0.539 67 1HB LYS 9 2HB LYS 9 12.360 -1.127 -0.592 68 2HB LYS 9 3HB LYS 9 13.507 -1.162 0.732 69 1HG LYS 9 2HG LYS 9 13.325 -3.551 -1.121 70 2HG LYS 9 3HG LYS 9 14.181 -2.119 -1.658 71 1HD LYS 9 2HD LYS 9 14.879 -2.965 1.105 72 2HD LYS 9 3HD LYS 9 15.282 -4.152 -0.119 73 1HE LYS 9 2HE LYS 9 17.062 -2.922 -0.802 74 2HE LYS 9 3HE LYS 9 16.041 -1.529 -1.097 75 1HZ LYS 9 1HZ LYS 9 16.348 -1.835 1.648 76 2HZ LYS 9 2HZ LYS 9 17.832 -1.902 0.970 77 3HZ LYS 9 3HZ LYS 9 16.870 -0.610 0.703 78 H GLY 10 HN GLY 10 12.557 -0.579 2.312 79 1HA GLY 10 1HA GLY 10 12.116 -0.443 4.681 80 2HA GLY 10 2HA GLY 10 12.551 -2.134 4.828 81 H ASP 11 HN ASP 11 13.660 0.924 5.445 82 HA ASP 11 HA ASP 11 16.176 1.066 4.453 83 1HB ASP 11 2HB ASP 11 14.735 2.599 6.117 84 2HB ASP 11 3HB ASP 11 15.682 1.786 7.347 85 H GLY 12 HN GLY 12 14.795 -1.056 6.922 86 1HA GLY 12 1HA GLY 12 17.354 -2.441 7.185 87 2HA GLY 12 2HA GLY 12 16.643 -1.795 8.651 88 HA PRO 13 HA PRO 13 14.263 -5.430 8.796 89 1HB PRO 13 2HB PRO 13 12.561 -4.781 10.833 90 2HB PRO 13 3HB PRO 13 14.190 -5.369 11.097 91 1HG PRO 13 2HG PRO 13 13.147 -2.617 11.368 92 2HG PRO 13 3HG PRO 13 14.623 -3.300 12.020 93 1HD PRO 13 2HD PRO 13 14.391 -1.570 9.744 94 2HD PRO 13 3HD PRO 13 15.851 -2.347 10.326 95 H VAL 14 HN VAL 14 12.679 -2.346 8.501 96 HA VAL 14 HA VAL 14 10.132 -3.007 8.025 97 HB VAL 14 HB VAL 14 11.939 -1.093 6.550 98 1HG1 VAL 14 1HG1 VAL 14 10.189 -1.358 5.010 99 2HG1 VAL 14 2HG1 VAL 14 8.962 -1.533 6.288 100 3HG1 VAL 14 3HG1 VAL 14 9.700 0.056 5.973 101 1HG2 VAL 14 1HG2 VAL 14 11.246 -0.986 9.123 102 2HG2 VAL 14 2HG2 VAL 14 11.378 0.477 8.119 103 3HG2 VAL 14 3HG2 VAL 14 9.782 -0.244 8.437 104 H GLN 15 HN GLN 15 8.846 -3.802 6.304 105 HA GLN 15 HA GLN 15 9.717 -4.374 3.801 106 1HB GLN 15 2HB GLN 15 11.060 -6.089 5.530 107 2HB GLN 15 3HB GLN 15 9.701 -7.072 5.021 108 1HG GLN 15 2HG GLN 15 10.507 -5.904 2.622 109 2HG GLN 15 3HG GLN 15 12.034 -6.126 3.453 110 1HE2 GLN 15 1HE2 GLN 15 8.988 -7.970 3.452 111 2HE2 GLN 15 2HE2 GLN 15 9.651 -9.493 2.959 112 H GLY 16 HN GLY 16 7.482 -3.484 3.821 113 1HA GLY 16 1HA GLY 16 5.392 -5.310 4.731 114 2HA GLY 16 2HA GLY 16 5.199 -3.666 4.156 115 H ILE 17 HN ILE 17 3.582 -5.857 3.254 116 HA ILE 17 HA ILE 17 4.414 -5.908 0.443 117 HB ILE 17 HB ILE 17 3.330 -8.207 2.072 118 1HG1 ILE 17 2HG1 ILE 17 5.867 -8.211 0.455 119 2HG1 ILE 17 3HG1 ILE 17 5.855 -7.523 2.067 120 1HG2 ILE 17 1HG2 ILE 17 3.783 -9.357 -0.275 121 2HG2 ILE 17 2HG2 ILE 17 2.219 -8.606 0.120 122 3HG2 ILE 17 3HG2 ILE 17 3.404 -7.724 -0.873 123 1HD1 ILE 17 1HD1 ILE 17 5.193 -10.377 1.252 124 2HD1 ILE 17 2HD1 ILE 17 6.456 -9.815 2.373 125 3HD1 ILE 17 3HD1 ILE 17 4.742 -9.725 2.846 126 H ILE 18 HN ILE 18 3.044 -4.302 -0.278 127 HA ILE 18 HA ILE 18 0.211 -4.659 0.402 128 HB ILE 18 HB ILE 18 0.489 -2.557 1.084 129 1HG1 ILE 18 2HG1 ILE 18 0.120 -0.856 -0.699 130 2HG1 ILE 18 3HG1 ILE 18 0.439 -2.081 -1.910 131 1HG2 ILE 18 1HG2 ILE 18 2.861 -2.506 1.053 132 2HG2 ILE 18 2HG2 ILE 18 2.908 -2.400 -0.724 133 3HG2 ILE 18 3HG2 ILE 18 2.305 -1.027 0.234 134 1HD1 ILE 18 1HD1 ILE 18 -1.526 -3.011 0.070 135 2HD1 ILE 18 2HD1 ILE 18 -2.048 -1.518 -0.747 136 3HD1 ILE 18 3HD1 ILE 18 -1.645 -2.963 -1.706 137 H ASN 19 HN ASN 19 -1.242 -5.128 -1.195 138 HA ASN 19 HA ASN 19 -0.162 -5.044 -3.903 139 1HB ASN 19 2HB ASN 19 -2.347 -7.003 -3.210 140 2HB ASN 19 3HB ASN 19 -1.049 -7.167 -4.376 141 1HD2 ASN 19 1HD2 ASN 19 -2.003 -7.429 -1.042 142 2HD2 ASN 19 2HD2 ASN 19 -0.634 -8.312 -0.453 143 H PHE 20 HN PHE 20 -1.684 -4.318 -5.539 144 HA PHE 20 HA PHE 20 -4.147 -3.189 -4.414 145 1HB PHE 20 2HB PHE 20 -2.076 -2.407 -6.481 146 2HB PHE 20 3HB PHE 20 -3.727 -1.939 -6.836 147 HD1 PHE 20 1HD PHE 20 -1.463 -1.890 -3.855 148 HD2 PHE 20 2HD PHE 20 -4.277 0.207 -6.241 149 HE1 PHE 20 1HE PHE 20 -1.209 0.126 -2.383 150 HE2 PHE 20 2HE PHE 20 -4.022 2.224 -4.768 151 HZ PHE 20 HZ PHE 20 -2.491 2.159 -2.856 152 H GLU 21 HN GLU 21 -6.006 -4.193 -5.002 153 HA GLU 21 HA GLU 21 -5.909 -5.706 -7.492 154 1HB GLU 21 2HB GLU 21 -6.325 -7.016 -5.390 155 2HB GLU 21 3HB GLU 21 -7.773 -6.071 -5.104 156 1HG GLU 21 2HG GLU 21 -7.656 -7.215 -7.836 157 2HG GLU 21 3HG GLU 21 -7.643 -8.437 -6.580 158 H GLN 22 HN GLN 22 -7.361 -5.234 -9.138 159 HA GLN 22 HA GLN 22 -9.583 -3.513 -8.477 160 1HB GLN 22 2HB GLN 22 -7.602 -2.061 -9.160 161 2HB GLN 22 3HB GLN 22 -7.663 -2.817 -10.740 162 1HG GLN 22 2HG GLN 22 -10.048 -2.057 -10.992 163 2HG GLN 22 3HG GLN 22 -9.949 -1.268 -9.430 164 1HE2 GLN 22 1HE2 GLN 22 -10.208 0.788 -10.087 165 2HE2 GLN 22 2HE2 GLN 22 -9.090 1.670 -11.073 166 H LYS 23 HN LYS 23 -11.203 -4.920 -9.079 167 HA LYS 23 HA LYS 23 -10.848 -6.447 -11.526 168 1HB LYS 23 2HB LYS 23 -12.060 -6.946 -9.028 169 2HB LYS 23 3HB LYS 23 -13.378 -6.847 -10.178 170 1HG LYS 23 2HG LYS 23 -12.240 -8.494 -11.657 171 2HG LYS 23 3HG LYS 23 -10.879 -8.565 -10.555 172 1HD LYS 23 2HD LYS 23 -11.946 -10.229 -9.446 173 2HD LYS 23 3HD LYS 23 -13.123 -9.048 -8.908 174 1HE LYS 23 2HE LYS 23 -14.711 -10.120 -10.121 175 2HE LYS 23 3HE LYS 23 -13.859 -9.676 -11.587 176 1HZ LYS 23 1HZ LYS 23 -12.626 -11.855 -10.270 177 2HZ LYS 23 2HZ LYS 23 -14.183 -12.183 -10.636 178 3HZ LYS 23 3HZ LYS 23 -13.144 -11.738 -11.814 179 H GLU 24 HN GLU 24 -11.016 -3.567 -11.770 180 HA GLU 24 HA GLU 24 -13.212 -3.515 -13.583 181 1HB GLU 24 2HB GLU 24 -13.328 -2.090 -10.965 182 2HB GLU 24 3HB GLU 24 -13.776 -1.127 -12.358 183 1HG GLU 24 2HG GLU 24 -14.973 -3.803 -12.506 184 2HG GLU 24 3HG GLU 24 -15.399 -3.009 -11.003 185 H SER 25 HN SER 25 -13.045 -1.712 -15.112 186 HA SER 25 HA SER 25 -10.319 -0.813 -15.271 187 1HB SER 25 2HB SER 25 -12.684 -0.792 -17.174 188 2HB SER 25 3HB SER 25 -11.239 0.133 -17.533 189 HG SER 25 HG SER 25 -10.572 -1.722 -18.393 190 H ASN 26 HN ASN 26 -13.117 0.250 -13.776 191 HA ASN 26 HA ASN 26 -12.065 2.851 -13.486 192 1HB ASN 26 2HB ASN 26 -14.274 3.968 -14.267 193 2HB ASN 26 3HB ASN 26 -13.191 3.420 -15.532 194 1HD2 ASN 26 1HD2 ASN 26 -15.500 3.718 -16.487 195 2HD2 ASN 26 2HD2 ASN 26 -16.441 2.272 -16.644 196 H GLY 27 HN GLY 27 -12.806 0.477 -11.878 197 1HA GLY 27 1HA GLY 27 -15.128 1.505 -10.362 198 2HA GLY 27 2HA GLY 27 -14.647 -0.178 -10.461 199 HA PRO 28 HA PRO 28 -12.706 1.353 -6.699 200 1HB PRO 28 2HB PRO 28 -13.383 -0.753 -5.094 201 2HB PRO 28 3HB PRO 28 -14.353 0.700 -5.228 202 1HG PRO 28 2HG PRO 28 -14.853 -1.974 -6.385 203 2HG PRO 28 3HG PRO 28 -15.980 -0.654 -6.143 204 1HD PRO 28 2HD PRO 28 -14.773 -1.448 -8.621 205 2HD PRO 28 3HD PRO 28 -15.808 -0.059 -8.357 206 H VAL 29 HN VAL 29 -10.937 0.508 -5.286 207 HA VAL 29 HA VAL 29 -9.575 -1.669 -6.700 208 HB VAL 29 HB VAL 29 -8.223 0.838 -5.698 209 1HG1 VAL 29 1HG1 VAL 29 -7.178 -1.653 -6.275 210 2HG1 VAL 29 2HG1 VAL 29 -6.930 -0.759 -7.794 211 3HG1 VAL 29 3HG1 VAL 29 -6.274 -0.120 -6.268 212 1HG2 VAL 29 1HG2 VAL 29 -9.219 1.843 -7.463 213 2HG2 VAL 29 2HG2 VAL 29 -7.978 0.981 -8.404 214 3HG2 VAL 29 3HG2 VAL 29 -9.615 0.299 -8.255 215 H LYS 30 HN LYS 30 -9.783 -3.282 -5.198 216 HA LYS 30 HA LYS 30 -9.862 -2.792 -2.434 217 1HB LYS 30 2HB LYS 30 -9.677 -5.196 -4.206 218 2HB LYS 30 3HB LYS 30 -9.290 -5.392 -2.509 219 1HG LYS 30 2HG LYS 30 -11.540 -4.044 -2.110 220 2HG LYS 30 3HG LYS 30 -11.907 -4.510 -3.760 221 1HD LYS 30 2HD LYS 30 -11.060 -6.924 -2.753 222 2HD LYS 30 3HD LYS 30 -11.730 -6.204 -1.303 223 1HE LYS 30 2HE LYS 30 -13.780 -5.602 -2.900 224 2HE LYS 30 3HE LYS 30 -13.131 -6.887 -3.899 225 1HZ LYS 30 1HZ LYS 30 -13.475 -7.382 -1.057 226 2HZ LYS 30 2HZ LYS 30 -14.794 -7.406 -2.020 227 3HZ LYS 30 3HZ LYS 30 -13.555 -8.431 -2.306 228 H VAL 31 HN VAL 31 -8.141 -1.583 -1.654 229 HA VAL 31 HA VAL 31 -5.463 -2.581 -2.247 230 HB VAL 31 HB VAL 31 -6.502 -0.037 -0.990 231 1HG1 VAL 31 1HG1 VAL 31 -3.625 -0.343 -1.740 232 2HG1 VAL 31 2HG1 VAL 31 -4.382 0.655 -0.475 233 3HG1 VAL 31 3HG1 VAL 31 -4.175 -1.095 -0.223 234 1HG2 VAL 31 1HG2 VAL 31 -5.808 1.059 -2.989 235 2HG2 VAL 31 2HG2 VAL 31 -4.963 -0.393 -3.577 236 3HG2 VAL 31 3HG2 VAL 31 -6.741 -0.371 -3.492 237 H TRP 32 HN TRP 32 -4.362 -3.823 -0.816 238 HA TRP 32 HA TRP 32 -4.888 -3.528 2.006 239 1HB TRP 32 2HB TRP 32 -5.617 -5.698 2.461 240 2HB TRP 32 3HB TRP 32 -6.631 -5.131 1.149 241 HD1 TRP 32 HD1 TRP 32 -3.664 -7.565 1.738 242 HE1 TRP 32 HE1 TRP 32 -3.575 -9.411 -0.145 243 HE3 TRP 32 HE3 TRP 32 -7.362 -5.570 -1.125 244 HZ2 TRP 32 HZ2 TRP 32 -5.028 -9.821 -2.567 245 HZ3 TRP 32 HZ3 TRP 32 -7.966 -6.755 -3.234 246 HH2 TRP 32 HH2 TRP 32 -6.865 -8.810 -3.968 247 H GLY 33 HN GLY 33 -3.119 -4.426 3.259 248 1HA GLY 33 1HA GLY 33 -1.009 -5.879 1.978 249 2HA GLY 33 2HA GLY 33 -0.609 -4.186 2.194 250 H SER 34 HN SER 34 1.100 -5.431 3.603 251 HA SER 34 HA SER 34 0.239 -5.074 6.292 252 1HB SER 34 2HB SER 34 1.015 -7.357 7.034 253 2HB SER 34 3HB SER 34 -0.454 -7.380 6.079 254 HG SER 34 HG SER 34 1.984 -8.559 5.557 255 H ILE 35 HN ILE 35 1.906 -3.931 7.201 256 HA ILE 35 HA ILE 35 4.494 -4.044 5.929 257 HB ILE 35 HB ILE 35 2.974 -2.178 7.534 258 1HG1 ILE 35 2HG1 ILE 35 5.521 -1.621 6.023 259 2HG1 ILE 35 3HG1 ILE 35 4.041 -2.009 5.170 260 1HG2 ILE 35 1HG2 ILE 35 5.900 -2.450 8.267 261 2HG2 ILE 35 2HG2 ILE 35 4.745 -1.233 8.860 262 3HG2 ILE 35 3HG2 ILE 35 4.541 -2.945 9.304 263 1HD1 ILE 35 1HD1 ILE 35 2.893 -0.100 6.038 264 2HD1 ILE 35 2HD1 ILE 35 4.109 0.147 7.314 265 3HD1 ILE 35 3HD1 ILE 35 4.517 0.494 5.617 266 H LYS 36 HN LYS 36 6.499 -4.199 7.353 267 HA LYS 36 HA LYS 36 6.114 -5.778 9.745 268 1HB LYS 36 2HB LYS 36 7.456 -6.890 7.268 269 2HB LYS 36 3HB LYS 36 7.702 -7.547 8.873 270 1HG LYS 36 2HG LYS 36 4.978 -7.465 8.860 271 2HG LYS 36 3HG LYS 36 5.255 -7.631 7.138 272 1HD LYS 36 2HD LYS 36 6.553 -9.679 7.470 273 2HD LYS 36 3HD LYS 36 6.546 -9.463 9.209 274 1HE LYS 36 2HE LYS 36 3.874 -9.453 8.837 275 2HE LYS 36 3HE LYS 36 4.306 -10.350 7.396 276 1HZ LYS 36 1HZ LYS 36 4.063 -11.392 9.852 277 2HZ LYS 36 2HZ LYS 36 4.849 -12.104 8.610 278 3HZ LYS 36 3HZ LYS 36 5.684 -11.244 9.719 279 H GLY 37 HN GLY 37 7.210 -4.463 11.120 280 1HA GLY 37 1HA GLY 37 9.711 -4.280 11.654 281 2HA GLY 37 2HA GLY 37 9.764 -3.327 10.185 282 H LEU 38 HN LEU 38 7.147 -2.049 10.441 283 HA LEU 38 HA LEU 38 7.848 0.190 11.886 284 1HB LEU 38 2HB LEU 38 5.244 -0.891 10.852 285 2HB LEU 38 3HB LEU 38 5.288 0.591 11.786 286 HG LEU 38 HG LEU 38 5.386 0.612 9.152 287 1HD1 LEU 38 1HD1 LEU 38 5.755 2.469 11.065 288 2HD1 LEU 38 2HD1 LEU 38 7.358 2.510 10.293 289 3HD1 LEU 38 3HD1 LEU 38 5.895 2.806 9.323 290 1HD2 LEU 38 1HD2 LEU 38 8.299 0.235 9.895 291 2HD2 LEU 38 2HD2 LEU 38 7.302 -0.828 8.873 292 3HD2 LEU 38 3HD2 LEU 38 7.710 0.813 8.317 293 H THR 39 HN THR 39 5.707 0.867 13.574 294 HA THR 39 HA THR 39 5.483 -1.200 15.582 295 HB THR 39 HB THR 39 6.519 0.444 17.304 296 HG1 THR 39 1HG THR 39 7.344 1.439 14.670 297 1HG2 THR 39 1HG2 THR 39 8.833 -0.199 16.816 298 2HG2 THR 39 2HG2 THR 39 7.789 -1.578 16.394 299 3HG2 THR 39 3HG2 THR 39 8.428 -0.520 15.112 300 H GLU 40 HN GLU 40 3.781 -0.862 17.032 301 HA GLU 40 HA GLU 40 1.586 0.279 16.154 302 1HB GLU 40 2HB GLU 40 1.846 -1.073 18.263 303 2HB GLU 40 3HB GLU 40 2.440 0.359 19.082 304 1HG GLU 40 2HG GLU 40 0.089 1.297 17.924 305 2HG GLU 40 3HG GLU 40 -0.336 -0.359 18.311 306 H GLY 41 HN GLY 41 1.063 2.289 15.423 307 1HA GLY 41 1HA GLY 41 0.805 4.590 16.593 308 2HA GLY 41 2HA GLY 41 2.555 4.584 16.491 309 H LEU 42 HN LEU 42 1.198 6.606 15.190 310 HA LEU 42 HA LEU 42 0.509 5.966 12.534 311 1HB LEU 42 2HB LEU 42 1.358 8.612 13.718 312 2HB LEU 42 3HB LEU 42 0.531 8.375 12.192 313 HG LEU 42 HG LEU 42 -1.303 7.218 13.685 314 1HD1 LEU 42 1HD1 LEU 42 -1.217 8.878 15.859 315 2HD1 LEU 42 2HD1 LEU 42 -0.736 7.164 15.851 316 3HD1 LEU 42 3HD1 LEU 42 0.497 8.435 15.666 317 1HD2 LEU 42 1HD2 LEU 42 -1.538 10.078 14.172 318 2HD2 LEU 42 2HD2 LEU 42 -0.996 9.719 12.515 319 3HD2 LEU 42 3HD2 LEU 42 -2.506 9.006 13.131 320 H HIS 43 HN HIS 43 1.692 6.626 10.561 321 HA HIS 43 HA HIS 43 4.565 6.827 10.956 322 1HB HIS 43 2HB HIS 43 3.438 4.834 8.992 323 2HB HIS 43 3HB HIS 43 5.096 5.016 9.530 324 HD1 HIS 43 HD1 HIS 43 2.541 2.691 9.888 325 HD2 HIS 43 HD2 HIS 43 4.950 4.674 12.691 326 HE1 HIS 43 HE1 HIS 43 2.487 1.271 12.008 327 H GLY 44 HN GLY 44 4.035 9.081 10.362 328 1HA GLY 44 1HA GLY 44 3.518 10.746 8.891 329 2HA GLY 44 2HA GLY 44 4.733 9.908 7.946 330 H PHE 45 HN PHE 45 3.875 10.251 5.876 331 HA PHE 45 HA PHE 45 1.448 8.731 5.336 332 1HB PHE 45 2HB PHE 45 2.050 11.522 4.207 333 2HB PHE 45 3HB PHE 45 0.543 10.639 4.060 334 HD1 PHE 45 1HD PHE 45 2.632 12.654 6.291 335 HD2 PHE 45 2HD PHE 45 -1.045 10.574 5.891 336 HE1 PHE 45 1HE PHE 45 1.755 13.811 8.338 337 HE2 PHE 45 2HE PHE 45 -1.923 11.731 7.938 338 HZ PHE 45 HZ PHE 45 -0.512 13.335 9.137 339 H HIS 46 HN HIS 46 2.091 7.211 3.885 340 HA HIS 46 HA HIS 46 4.406 7.194 2.494 341 1HB HIS 46 2HB HIS 46 3.372 5.512 1.053 342 2HB HIS 46 3HB HIS 46 2.975 5.255 2.741 343 HD1 HIS 46 HD1 HIS 46 1.443 5.592 -0.560 344 HD2 HIS 46 HD2 HIS 46 0.237 6.208 3.411 345 HE1 HIS 46 HE1 HIS 46 -1.108 5.655 -0.589 346 H VAL 47 HN VAL 47 4.505 7.155 -0.085 347 HA VAL 47 HA VAL 47 4.499 8.317 -1.965 348 HB VAL 47 HB VAL 47 1.871 9.355 -0.890 349 1HG1 VAL 47 1HG1 VAL 47 2.462 10.982 -2.466 350 2HG1 VAL 47 2HG1 VAL 47 3.252 9.800 -3.537 351 3HG1 VAL 47 3HG1 VAL 47 1.477 9.834 -3.404 352 1HG2 VAL 47 1HG2 VAL 47 0.978 7.429 -1.574 353 2HG2 VAL 47 2HG2 VAL 47 1.698 7.616 -3.191 354 3HG2 VAL 47 3HG2 VAL 47 2.622 6.825 -1.891 355 H HIS 48 HN HIS 48 5.638 10.115 -2.629 356 HA HIS 48 HA HIS 48 5.631 12.382 -0.784 357 1HB HIS 48 2HB HIS 48 8.206 12.393 -1.641 358 2HB HIS 48 3HB HIS 48 7.665 11.730 -0.112 359 HD1 HIS 48 HD1 HIS 48 8.428 9.397 0.327 360 HD2 HIS 48 HD2 HIS 48 8.164 10.217 -3.778 361 HE1 HIS 48 HE1 HIS 48 9.262 7.306 -0.875 362 H GLU 49 HN GLU 49 6.944 14.293 -1.972 363 HA GLU 49 HA GLU 49 5.441 15.224 -3.938 364 1HB GLU 49 2HB GLU 49 7.310 16.426 -2.747 365 2HB GLU 49 3HB GLU 49 8.462 15.622 -3.795 366 1HG GLU 49 2HG GLU 49 7.188 16.609 -5.790 367 2HG GLU 49 3HG GLU 49 6.258 17.554 -4.645 368 H GLU 50 HN GLU 50 8.196 12.948 -4.304 369 HA GLU 50 HA GLU 50 8.847 11.688 -5.946 370 1HB GLU 50 2HB GLU 50 5.947 11.984 -6.466 371 2HB GLU 50 3HB GLU 50 6.865 11.538 -7.891 372 1HG GLU 50 2HG GLU 50 7.909 9.941 -5.770 373 2HG GLU 50 3HG GLU 50 6.168 9.907 -5.574 374 H GLU 51 HN GLU 51 10.214 12.002 -7.700 375 HA GLU 51 HA GLU 51 9.641 13.633 -9.836 376 1HB GLU 51 2HB GLU 51 10.712 15.067 -7.487 377 2HB GLU 51 3HB GLU 51 11.681 15.310 -8.926 378 1HG GLU 51 2HG GLU 51 9.048 15.531 -9.880 379 2HG GLU 51 3HG GLU 51 8.971 16.300 -8.307 380 H ASP 52 HN ASP 52 12.197 14.518 -10.625 381 HA ASP 52 HA ASP 52 13.489 11.953 -10.865 382 1HB ASP 52 2HB ASP 52 13.120 13.186 -12.934 383 2HB ASP 52 3HB ASP 52 13.840 14.637 -12.267 384 H ASN 53 HN ASN 53 14.875 11.596 -9.092 385 HA ASN 53 HA ASN 53 17.263 12.631 -8.844 386 1HB ASN 53 2HB ASN 53 15.289 14.592 -7.779 387 2HB ASN 53 3HB ASN 53 16.573 14.216 -6.648 388 1HD2 ASN 53 1HD2 ASN 53 15.854 16.585 -8.384 389 2HD2 ASN 53 2HD2 ASN 53 17.315 17.016 -9.208 390 H THR 54 HN THR 54 16.649 10.206 -8.277 391 HA THR 54 HA THR 54 16.891 9.920 -5.422 392 HB THR 54 HB THR 54 14.346 10.111 -6.078 393 HG1 THR 54 1HG THR 54 15.406 7.682 -4.822 394 1HG2 THR 54 1HG2 THR 54 15.053 7.262 -6.957 395 2HG2 THR 54 2HG2 THR 54 13.401 7.835 -6.627 396 3HG2 THR 54 3HG2 THR 54 14.328 8.524 -7.982 397 H ALA 55 HN ALA 55 16.384 8.328 -8.622 398 HA ALA 55 HA ALA 55 17.542 6.710 -9.604 399 1HB ALA 55 1HB ALA 55 19.483 6.490 -7.309 400 2HB ALA 55 2HB ALA 55 19.778 6.359 -9.059 401 3HB ALA 55 3HB ALA 55 19.490 7.953 -8.322 402 H GLY 56 HN GLY 56 17.635 6.135 -6.010 403 1HA GLY 56 1HA GLY 56 16.175 3.615 -6.507 404 2HA GLY 56 2HA GLY 56 17.592 3.666 -5.477 405 H CYS 57 HN CYS 57 17.517 5.432 -3.662 406 HA CYS 57 HA CYS 57 14.973 6.318 -2.832 407 1HB CYS 57 2HB CYS 57 15.509 3.641 -2.173 408 2HB CYS 57 3HB CYS 57 15.807 4.544 -0.702 409 H THR 58 HN THR 58 16.135 8.306 -2.649 410 HA THR 58 HA THR 58 18.337 8.302 -0.698 411 HB THR 58 HB THR 58 19.049 10.356 -1.859 412 HG1 THR 58 1HG THR 58 16.906 11.168 -2.324 413 1HG2 THR 58 1HG2 THR 58 18.488 9.241 -4.408 414 2HG2 THR 58 2HG2 THR 58 19.970 8.996 -3.453 415 3HG2 THR 58 3HG2 THR 58 18.622 7.842 -3.315 416 H SER 59 HN SER 59 17.969 11.321 -0.552 417 HA SER 59 HA SER 59 15.443 11.619 0.699 418 1HB SER 59 2HB SER 59 17.961 11.373 2.379 419 2HB SER 59 3HB SER 59 16.590 12.308 2.942 420 HG SER 59 HG SER 59 16.906 9.727 3.267 421 H ALA 60 HN ALA 60 14.990 13.561 -0.303 422 HA ALA 60 HA ALA 60 17.112 15.594 -0.246 423 1HB ALA 60 1HB ALA 60 16.637 15.189 -2.506 424 2HB ALA 60 2HB ALA 60 14.903 14.928 -2.197 425 3HB ALA 60 3HB ALA 60 15.582 16.572 -2.129 426 H GLY 61 HN GLY 61 13.516 15.716 -0.662 427 1HA GLY 61 1HA GLY 61 12.728 16.538 1.813 428 2HA GLY 61 2HA GLY 61 13.351 18.000 1.074 429 HA PRO 62 HA PRO 62 9.580 16.501 -1.418 430 1HB PRO 62 2HB PRO 62 7.917 14.673 -0.251 431 2HB PRO 62 3HB PRO 62 9.152 14.238 -1.415 432 1HG PRO 62 2HG PRO 62 9.153 13.858 1.516 433 2HG PRO 62 3HG PRO 62 10.148 13.072 0.307 434 1HD PRO 62 2HD PRO 62 10.945 15.183 2.077 435 2HD PRO 62 3HD PRO 62 11.902 14.477 0.791 436 H HIS 63 HN HIS 63 7.941 17.921 -1.626 437 HA HIS 63 HA HIS 63 6.747 18.693 0.932 438 1HB HIS 63 2HB HIS 63 7.178 20.703 -1.257 439 2HB HIS 63 3HB HIS 63 6.913 20.966 0.455 440 HD1 HIS 63 HD1 HIS 63 9.551 20.904 -2.026 441 HD2 HIS 63 HD2 HIS 63 9.282 20.035 2.069 442 HE1 HIS 63 HE1 HIS 63 11.937 20.962 -1.124 443 H PHE 64 HN PHE 64 5.986 16.751 -1.271 444 HA PHE 64 HA PHE 64 4.227 16.193 -2.485 445 1HB PHE 64 2HB PHE 64 2.759 18.271 -0.764 446 2HB PHE 64 3HB PHE 64 2.064 16.817 -1.453 447 HD1 PHE 64 1HD PHE 64 2.676 14.593 -0.515 448 HD2 PHE 64 2HD PHE 64 3.925 18.212 1.315 449 HE1 PHE 64 1HE PHE 64 3.177 13.348 1.606 450 HE2 PHE 64 2HE PHE 64 4.426 16.967 3.436 451 HZ PHE 64 HZ PHE 64 4.046 14.549 3.556 452 H ASN 65 HN ASN 65 2.231 17.074 -3.835 453 HA ASN 65 HA ASN 65 3.330 19.229 -5.369 454 1HB ASN 65 2HB ASN 65 1.328 18.686 -6.890 455 2HB ASN 65 3HB ASN 65 2.460 17.369 -6.653 456 1HD2 ASN 65 1HD2 ASN 65 -0.573 18.773 -5.502 457 2HD2 ASN 65 2HD2 ASN 65 -1.326 17.303 -4.981 458 HA PRO 66 HA PRO 66 0.434 22.175 -3.897 459 1HB PRO 66 2HB PRO 66 0.036 23.798 -6.060 460 2HB PRO 66 3HB PRO 66 1.450 23.903 -5.030 461 1HG PRO 66 2HG PRO 66 1.216 22.762 -7.747 462 2HG PRO 66 3HG PRO 66 2.659 23.259 -6.885 463 1HD PRO 66 2HD PRO 66 1.744 20.571 -7.292 464 2HD PRO 66 3HD PRO 66 3.121 21.076 -6.334 465 H LEU 67 HN LEU 67 -1.216 20.618 -3.416 466 HA LEU 67 HA LEU 67 -3.629 21.371 -4.633 467 1HB LEU 67 2HB LEU 67 -2.259 19.641 -6.236 468 2HB LEU 67 3HB LEU 67 -3.217 18.528 -5.279 469 HG LEU 67 HG LEU 67 -4.391 19.034 -7.311 470 1HD1 LEU 67 1HD1 LEU 67 -5.468 19.753 -4.694 471 2HD1 LEU 67 2HD1 LEU 67 -6.333 20.539 -6.037 472 3HD1 LEU 67 3HD1 LEU 67 -6.173 18.767 -5.998 473 1HD2 LEU 67 1HD2 LEU 67 -5.082 21.287 -7.945 474 2HD2 LEU 67 2HD2 LEU 67 -4.224 21.960 -6.538 475 3HD2 LEU 67 3HD2 LEU 67 -3.309 21.167 -7.842 476 H SER 68 HN SER 68 -1.812 18.727 -2.961 477 HA SER 68 HA SER 68 -4.019 17.874 -1.492 478 1HB SER 68 2HB SER 68 -2.568 16.278 -0.792 479 2HB SER 68 3HB SER 68 -1.412 17.010 -1.886 480 HG SER 68 HG SER 68 -0.404 16.926 0.123 481 H ARG 69 HN ARG 69 -1.381 20.256 -0.874 482 HA ARG 69 HA ARG 69 -1.458 22.056 0.384 483 1HB ARG 69 2HB ARG 69 -4.145 21.436 0.484 484 2HB ARG 69 3HB ARG 69 -3.721 21.265 2.175 485 1HG ARG 69 2HG ARG 69 -2.421 23.637 1.440 486 2HG ARG 69 3HG ARG 69 -3.915 23.712 0.529 487 1HD ARG 69 2HD ARG 69 -4.055 22.911 3.442 488 2HD ARG 69 3HD ARG 69 -3.789 24.600 3.056 489 HE ARG 69 HE ARG 69 -6.003 23.360 1.566 490 1HH1 ARG 69 2HH2 ARG 69 -5.067 25.128 4.461 491 2HH1 ARG 69 1HH2 ARG 69 -6.661 25.737 4.758 492 1HH2 ARG 69 2HH1 ARG 69 -8.106 24.163 1.958 493 2HH2 ARG 69 1HH1 ARG 69 -8.401 25.185 3.325 494 H LYS 70 HN LYS 70 -2.411 18.963 2.005 495 HA LYS 70 HA LYS 70 -1.263 17.782 3.522 496 1HB LYS 70 2HB LYS 70 0.604 20.100 4.038 497 2HB LYS 70 3HB LYS 70 0.869 18.397 4.352 498 1HG LYS 70 2HG LYS 70 1.604 18.021 2.231 499 2HG LYS 70 3HG LYS 70 0.217 18.831 1.529 500 1HD LYS 70 2HD LYS 70 1.716 20.943 2.623 501 2HD LYS 70 3HD LYS 70 2.943 19.857 2.000 502 1HE LYS 70 2HE LYS 70 1.500 19.773 -0.179 503 2HE LYS 70 3HE LYS 70 0.657 21.164 0.473 504 1HZ LYS 70 1HZ LYS 70 2.809 21.393 -0.969 505 2HZ LYS 70 2HZ LYS 70 2.463 22.459 0.219 506 3HZ LYS 70 3HZ LYS 70 3.545 21.265 0.483 507 H HIS 71 HN HIS 71 -0.318 18.610 6.084 508 HA HIS 71 HA HIS 71 -1.345 18.798 8.056 509 1HB HIS 71 2HB HIS 71 -1.965 21.222 8.520 510 2HB HIS 71 3HB HIS 71 -0.330 20.900 7.979 511 HD1 HIS 71 HD1 HIS 71 -3.502 22.618 6.976 512 HD2 HIS 71 HD2 HIS 71 0.277 21.820 5.340 513 HE1 HIS 71 HE1 HIS 71 -3.280 24.118 4.924 514 H GLY 72 HN GLY 72 -3.080 17.509 6.213 515 1HA GLY 72 1HA GLY 72 -5.690 18.531 7.156 516 2HA GLY 72 2HA GLY 72 -5.441 17.997 5.505 517 H GLY 73 HN GLY 73 -7.232 16.440 6.060 518 1HA GLY 73 1HA GLY 73 -7.128 13.997 6.005 519 2HA GLY 73 2HA GLY 73 -6.134 14.066 7.447 520 HA PRO 74 HA PRO 74 -9.768 13.984 9.814 521 1HB PRO 74 2HB PRO 74 -8.892 14.981 12.203 522 2HB PRO 74 3HB PRO 74 -8.620 13.325 11.698 523 1HG PRO 74 2HG PRO 74 -6.705 15.576 11.779 524 2HG PRO 74 3HG PRO 74 -6.376 13.857 11.693 525 1HD PRO 74 2HD PRO 74 -6.213 15.745 9.540 526 2HD PRO 74 3HD PRO 74 -5.997 14.009 9.431 527 H LYS 75 HN LYS 75 -8.200 16.938 9.180 528 HA LYS 75 HA LYS 75 -10.784 18.254 9.565 529 1HB LYS 75 2HB LYS 75 -8.319 18.773 11.046 530 2HB LYS 75 3HB LYS 75 -8.898 20.202 10.213 531 1HG LYS 75 2HG LYS 75 -10.714 20.409 11.582 532 2HG LYS 75 3HG LYS 75 -11.096 18.702 11.486 533 1HD LYS 75 2HD LYS 75 -10.387 18.570 13.645 534 2HD LYS 75 3HD LYS 75 -8.761 18.682 13.001 535 1HE LYS 75 2HE LYS 75 -8.500 20.890 13.648 536 2HE LYS 75 3HE LYS 75 -10.177 21.294 13.340 537 1HZ LYS 75 1HZ LYS 75 -9.224 19.711 15.625 538 2HZ LYS 75 2HZ LYS 75 -9.670 21.281 15.682 539 3HZ LYS 75 3HZ LYS 75 -10.777 20.129 15.344 540 H ASP 76 HN ASP 76 -10.026 17.193 7.152 541 HA ASP 76 HA ASP 76 -10.211 19.302 5.481 542 1HB ASP 76 2HB ASP 76 -8.004 20.089 6.009 543 2HB ASP 76 3HB ASP 76 -7.334 18.470 5.994 544 H GLU 77 HN GLU 77 -10.897 18.351 3.532 545 HA GLU 77 HA GLU 77 -10.204 15.543 3.213 546 1HB GLU 77 2HB GLU 77 -12.570 15.769 3.363 547 2HB GLU 77 3HB GLU 77 -12.593 17.200 2.352 548 1HG GLU 77 2HG GLU 77 -12.260 15.968 0.357 549 2HG GLU 77 3HG GLU 77 -11.554 14.601 1.197 550 H GLU 78 HN GLU 78 -9.206 18.544 2.191 551 HA GLU 78 HA GLU 78 -9.221 18.605 -0.480 552 1HB GLU 78 2HB GLU 78 -7.261 19.475 1.612 553 2HB GLU 78 3HB GLU 78 -6.686 19.487 -0.043 554 1HG GLU 78 2HG GLU 78 -9.399 20.632 0.223 555 2HG GLU 78 3HG GLU 78 -8.210 21.493 1.179 556 H ARG 79 HN ARG 79 -5.978 17.801 0.742 557 HA ARG 79 HA ARG 79 -4.500 16.365 0.089 558 1HB ARG 79 2HB ARG 79 -6.927 14.508 -0.001 559 2HB ARG 79 3HB ARG 79 -5.284 13.927 -0.180 560 1HG ARG 79 2HG ARG 79 -6.063 15.639 2.207 561 2HG ARG 79 3HG ARG 79 -6.374 13.914 2.209 562 1HD ARG 79 2HD ARG 79 -3.869 13.617 1.580 563 2HD ARG 79 3HD ARG 79 -3.674 15.312 1.983 564 HE ARG 79 HE ARG 79 -5.059 13.953 4.119 565 1HH1 ARG 79 2HH2 ARG 79 -1.862 14.306 2.691 566 2HH1 ARG 79 1HH2 ARG 79 -1.024 13.948 4.164 567 1HH2 ARG 79 2HH1 ARG 79 -3.954 13.480 6.063 568 2HH2 ARG 79 1HH1 ARG 79 -2.222 13.474 6.095 569 H HIS 80 HN HIS 80 -3.818 14.732 -1.781 570 HA HIS 80 HA HIS 80 -5.149 14.396 -4.091 571 1HB HIS 80 2HB HIS 80 -4.581 17.189 -3.758 572 2HB HIS 80 3HB HIS 80 -3.627 16.584 -5.099 573 HD1 HIS 80 HD1 HIS 80 -7.280 16.498 -3.928 574 HD2 HIS 80 HD2 HIS 80 -5.010 16.447 -7.455 575 HE1 HIS 80 HE1 HIS 80 -8.951 16.588 -5.855 576 H VAL 81 HN VAL 81 -2.132 15.280 -2.438 577 HA VAL 81 HA VAL 81 -0.453 14.149 -4.453 578 HB VAL 81 HB VAL 81 0.151 16.000 -2.885 579 1HG1 VAL 81 1HG1 VAL 81 -0.865 15.032 -0.844 580 2HG1 VAL 81 2HG1 VAL 81 0.389 13.769 -0.837 581 3HG1 VAL 81 3HG1 VAL 81 0.843 15.475 -0.610 582 1HG2 VAL 81 1HG2 VAL 81 1.771 14.416 -4.143 583 2HG2 VAL 81 2HG2 VAL 81 2.419 15.434 -2.835 584 3HG2 VAL 81 3HG2 VAL 81 2.086 13.711 -2.540 585 H GLY 82 HN GLY 82 -1.701 13.137 -1.208 586 1HA GLY 82 1HA GLY 82 -0.960 10.365 -1.935 587 2HA GLY 82 2HA GLY 82 -0.783 11.015 -0.317 588 H ASP 83 HN ASP 83 -3.168 12.543 -0.053 589 HA ASP 83 HA ASP 83 -5.142 12.166 0.824 590 1HB ASP 83 2HB ASP 83 -5.602 12.592 -1.621 591 2HB ASP 83 3HB ASP 83 -5.620 10.862 -1.898 592 H LEU 84 HN LEU 84 -4.644 10.547 2.469 593 HA LEU 84 HA LEU 84 -5.989 8.089 2.122 594 1HB LEU 84 2HB LEU 84 -3.556 7.959 0.992 595 2HB LEU 84 3HB LEU 84 -3.115 7.572 2.644 596 HG LEU 84 HG LEU 84 -3.507 5.567 1.289 597 1HD1 LEU 84 1HD1 LEU 84 -5.700 4.948 2.927 598 2HD1 LEU 84 2HD1 LEU 84 -3.975 4.677 3.268 599 3HD1 LEU 84 3HD1 LEU 84 -4.766 6.174 3.817 600 1HD2 LEU 84 1HD2 LEU 84 -5.236 6.613 -0.199 601 2HD2 LEU 84 2HD2 LEU 84 -5.633 4.978 0.382 602 3HD2 LEU 84 3HD2 LEU 84 -6.413 6.398 1.120 603 H GLY 85 HN GLY 85 -3.260 9.654 3.942 604 1HA GLY 85 1HA GLY 85 -3.902 10.564 6.131 605 2HA GLY 85 2HA GLY 85 -4.773 9.071 6.419 606 H ASN 86 HN ASN 86 -3.175 9.318 8.397 607 HA ASN 86 HA ASN 86 -0.501 8.542 7.781 608 1HB ASN 86 2HB ASN 86 -0.133 8.698 10.198 609 2HB ASN 86 3HB ASN 86 -1.118 10.065 9.716 610 1HD2 ASN 86 1HD2 ASN 86 -1.030 6.979 11.328 611 2HD2 ASN 86 2HD2 ASN 86 -2.544 7.086 12.163 612 H VAL 87 HN VAL 87 0.280 6.403 7.846 613 HA VAL 87 HA VAL 87 -1.679 4.325 8.267 614 HB VAL 87 HB VAL 87 0.050 2.863 7.395 615 1HG1 VAL 87 1HG1 VAL 87 -1.158 3.752 5.631 616 2HG1 VAL 87 2HG1 VAL 87 -0.589 5.411 5.933 617 3HG1 VAL 87 3HG1 VAL 87 0.502 4.217 5.190 618 1HG2 VAL 87 1HG2 VAL 87 2.170 4.207 6.503 619 2HG2 VAL 87 2HG2 VAL 87 1.802 5.231 7.912 620 3HG2 VAL 87 3HG2 VAL 87 2.125 3.495 8.133 621 H THR 88 HN THR 88 -1.901 3.109 10.087 622 HA THR 88 HA THR 88 0.159 3.490 12.158 623 HB THR 88 HB THR 88 -2.864 3.045 12.271 624 HG1 THR 88 1HG THR 88 -2.692 5.182 13.065 625 1HG2 THR 88 1HG2 THR 88 -0.878 3.276 14.592 626 2HG2 THR 88 2HG2 THR 88 -2.647 3.119 14.721 627 3HG2 THR 88 3HG2 THR 88 -1.674 1.757 14.115 628 H ALA 89 HN ALA 89 0.719 1.674 13.508 629 HA ALA 89 HA ALA 89 0.793 -0.744 11.932 630 1HB ALA 89 1HB ALA 89 2.096 -1.346 14.232 631 2HB ALA 89 2HB ALA 89 2.856 -0.472 12.881 632 3HB ALA 89 3HB ALA 89 2.215 0.429 14.276 633 H ASP 90 HN ASP 90 0.563 -2.873 13.406 634 HA ASP 90 HA ASP 90 -2.160 -2.777 14.253 635 1HB ASP 90 2HB ASP 90 -1.537 -4.707 12.977 636 2HB ASP 90 3HB ASP 90 -0.076 -4.959 13.910 637 H LYS 91 HN LYS 91 0.150 -4.991 15.813 638 HA LYS 91 HA LYS 91 0.060 -3.405 18.269 639 1HB LYS 91 2HB LYS 91 -0.528 -5.361 19.585 640 2HB LYS 91 3HB LYS 91 -1.775 -5.022 18.402 641 1HG LYS 91 2HG LYS 91 -0.765 -6.758 16.877 642 2HG LYS 91 3HG LYS 91 0.424 -7.124 18.112 643 1HD LYS 91 2HD LYS 91 -1.721 -7.452 19.663 644 2HD LYS 91 3HD LYS 91 -2.556 -7.651 18.136 645 1HE LYS 91 2HE LYS 91 -1.139 -9.526 17.503 646 2HE LYS 91 3HE LYS 91 -0.037 -9.224 18.831 647 1HZ LYS 91 1HZ LYS 91 -2.137 -10.888 18.908 648 2HZ LYS 91 2HZ LYS 91 -1.363 -10.298 20.220 649 3HZ LYS 91 3HZ LYS 91 -2.727 -9.577 19.683 650 H ASP 92 HN ASP 92 1.924 -4.517 15.878 651 HA ASP 92 HA ASP 92 4.171 -4.711 17.630 652 1HB ASP 92 2HB ASP 92 2.959 -7.090 16.573 653 2HB ASP 92 3HB ASP 92 4.444 -6.845 15.675 654 H GLY 93 HN GLY 93 2.928 -3.002 15.421 655 1HA GLY 93 1HA GLY 93 4.113 -1.613 13.969 656 2HA GLY 93 2HA GLY 93 5.301 -2.873 13.704 657 H VAL 94 HN VAL 94 3.565 -5.101 13.167 658 HA VAL 94 HA VAL 94 3.264 -5.030 10.506 659 HB VAL 94 HB VAL 94 1.336 -6.395 12.391 660 1HG1 VAL 94 1HG1 VAL 94 0.778 -6.525 9.981 661 2HG1 VAL 94 2HG1 VAL 94 2.382 -7.230 9.664 662 3HG1 VAL 94 3HG1 VAL 94 1.205 -8.111 10.667 663 1HG2 VAL 94 1HG2 VAL 94 4.240 -6.820 11.913 664 2HG2 VAL 94 2HG2 VAL 94 3.243 -7.183 13.342 665 3HG2 VAL 94 3HG2 VAL 94 3.218 -8.277 11.938 666 H ALA 95 HN ALA 95 2.488 -3.213 9.468 667 HA ALA 95 HA ALA 95 -0.109 -2.195 10.322 668 1HB ALA 95 1HB ALA 95 2.183 -0.896 9.690 669 2HB ALA 95 2HB ALA 95 1.417 -0.946 8.084 670 3HB ALA 95 3HB ALA 95 0.567 -0.189 9.452 671 H ASP 96 HN ASP 96 -1.857 -3.173 9.432 672 HA ASP 96 HA ASP 96 -1.516 -4.315 6.794 673 1HB ASP 96 2HB ASP 96 -2.516 -5.882 8.271 674 2HB ASP 96 3HB ASP 96 -3.503 -4.663 9.052 675 H VAL 97 HN VAL 97 -3.271 -3.892 5.144 676 HA VAL 97 HA VAL 97 -4.765 -1.427 5.678 677 HB VAL 97 HB VAL 97 -3.072 -2.082 3.261 678 1HG1 VAL 97 1HG1 VAL 97 -5.322 -1.062 2.711 679 2HG1 VAL 97 2HG1 VAL 97 -4.815 0.370 3.639 680 3HG1 VAL 97 3HG1 VAL 97 -3.905 -0.119 2.189 681 1HG2 VAL 97 1HG2 VAL 97 -2.791 -0.260 5.600 682 2HG2 VAL 97 2HG2 VAL 97 -1.550 -1.109 4.647 683 3HG2 VAL 97 3HG2 VAL 97 -2.295 0.380 4.016 684 H SER 98 HN SER 98 -6.732 -1.213 4.383 685 HA SER 98 HA SER 98 -7.524 -3.201 2.618 686 1HB SER 98 2HB SER 98 -9.275 -4.327 3.993 687 2HB SER 98 3HB SER 98 -7.654 -4.676 4.561 688 HG SER 98 HG SER 98 -9.671 -3.019 5.743 689 H ILE 99 HN ILE 99 -8.149 -1.278 1.474 690 HA ILE 99 HA ILE 99 -10.638 -0.128 2.485 691 HB ILE 99 HB ILE 99 -8.282 1.450 1.446 692 1HG1 ILE 99 2HG1 ILE 99 -9.188 2.364 3.976 693 2HG1 ILE 99 3HG1 ILE 99 -9.036 0.622 4.098 694 1HG2 ILE 99 1HG2 ILE 99 -10.290 2.433 0.585 695 2HG2 ILE 99 2HG2 ILE 99 -11.093 2.314 2.169 696 3HG2 ILE 99 3HG2 ILE 99 -9.722 3.428 1.947 697 1HD1 ILE 99 1HD1 ILE 99 -6.796 1.909 2.637 698 2HD1 ILE 99 2HD1 ILE 99 -6.939 2.401 4.341 699 3HD1 ILE 99 3HD1 ILE 99 -6.758 0.680 3.924 700 H GLU 100 HN GLU 100 -11.813 1.076 0.656 701 HA GLU 100 HA GLU 100 -11.184 -0.251 -1.864 702 1HB GLU 100 2HB GLU 100 -13.448 -0.725 -0.264 703 2HB GLU 100 3HB GLU 100 -14.038 0.356 -1.511 704 1HG GLU 100 2HG GLU 100 -13.923 -1.264 -3.105 705 2HG GLU 100 3HG GLU 100 -12.279 -1.684 -2.664 706 H ASP 101 HN ASP 101 -10.190 1.523 -2.863 707 HA ASP 101 HA ASP 101 -11.587 4.041 -2.740 708 1HB ASP 101 2HB ASP 101 -9.000 3.358 -4.205 709 2HB ASP 101 3HB ASP 101 -9.586 4.964 -3.817 710 H SER 102 HN SER 102 -12.724 4.888 -4.538 711 HA SER 102 HA SER 102 -12.518 3.317 -6.987 712 1HB SER 102 2HB SER 102 -14.966 3.960 -7.354 713 2HB SER 102 3HB SER 102 -14.665 2.792 -6.083 714 HG SER 102 HG SER 102 -16.092 4.335 -5.243 715 H VAL 103 HN VAL 103 -13.312 6.505 -5.471 716 HA VAL 103 HA VAL 103 -13.633 8.059 -7.664 717 HB VAL 103 HB VAL 103 -12.138 8.679 -5.109 718 1HG1 VAL 103 1HG1 VAL 103 -13.140 11.048 -5.734 719 2HG1 VAL 103 2HG1 VAL 103 -11.574 10.509 -6.385 720 3HG1 VAL 103 3HG1 VAL 103 -13.039 10.402 -7.390 721 1HG2 VAL 103 1HG2 VAL 103 -14.835 9.740 -5.346 722 2HG2 VAL 103 2HG2 VAL 103 -14.817 7.967 -5.498 723 3HG2 VAL 103 3HG2 VAL 103 -14.111 8.744 -4.061 724 H ILE 104 HN ILE 104 -10.537 6.891 -6.224 725 HA ILE 104 HA ILE 104 -8.941 8.326 -8.081 726 HB ILE 104 HB ILE 104 -7.116 6.973 -7.165 727 1HG1 ILE 104 2HG1 ILE 104 -7.658 5.435 -5.233 728 2HG1 ILE 104 3HG1 ILE 104 -9.339 5.503 -5.725 729 1HG2 ILE 104 1HG2 ILE 104 -7.162 8.693 -5.745 730 2HG2 ILE 104 2HG2 ILE 104 -8.937 8.662 -5.623 731 3HG2 ILE 104 3HG2 ILE 104 -7.956 7.579 -4.606 732 1HD1 ILE 104 1HD1 ILE 104 -7.727 3.590 -6.644 733 2HD1 ILE 104 2HD1 ILE 104 -8.965 4.312 -7.700 734 3HD1 ILE 104 3HD1 ILE 104 -7.271 4.844 -7.821 735 H SER 105 HN SER 105 -7.194 6.805 -9.337 736 HA SER 105 HA SER 105 -8.484 4.544 -10.514 737 1HB SER 105 2HB SER 105 -8.437 7.182 -11.849 738 2HB SER 105 3HB SER 105 -7.736 5.910 -12.830 739 HG SER 105 HG SER 105 -9.664 4.954 -13.061 740 H LEU 106 HN LEU 106 -6.954 3.187 -11.664 741 HA LEU 106 HA LEU 106 -4.256 3.628 -10.817 742 1HB LEU 106 2HB LEU 106 -5.849 1.441 -12.018 743 2HB LEU 106 3HB LEU 106 -4.139 1.446 -12.401 744 HG LEU 106 HG LEU 106 -3.843 1.707 -9.797 745 1HD1 LEU 106 1HD1 LEU 106 -6.463 0.211 -9.808 746 2HD1 LEU 106 2HD1 LEU 106 -5.539 0.846 -8.425 747 3HD1 LEU 106 3HD1 LEU 106 -6.373 1.966 -9.529 748 1HD2 LEU 106 1HD2 LEU 106 -3.214 -0.471 -9.763 749 2HD2 LEU 106 2HD2 LEU 106 -4.719 -1.040 -10.524 750 3HD2 LEU 106 3HD2 LEU 106 -3.443 -0.299 -11.520 751 H SER 107 HN SER 107 -6.163 3.867 -13.836 752 HA SER 107 HA SER 107 -4.014 5.411 -14.936 753 1HB SER 107 2HB SER 107 -3.841 2.810 -15.548 754 2HB SER 107 3HB SER 107 -5.072 3.225 -16.724 755 HG SER 107 HG SER 107 -2.348 3.867 -16.685 756 H GLY 108 HN GLY 108 -5.962 6.867 -14.354 757 1HA GLY 108 1HA GLY 108 -7.710 7.040 -16.718 758 2HA GLY 108 2HA GLY 108 -8.411 7.047 -15.112 759 H ASP 109 HN ASP 109 -8.770 9.026 -14.213 760 HA ASP 109 HA ASP 109 -7.301 11.237 -15.377 761 1HB ASP 109 2HB ASP 109 -10.018 10.826 -14.557 762 2HB ASP 109 3HB ASP 109 -9.351 12.027 -13.469 763 H HIS 110 HN HIS 110 -7.296 9.129 -12.704 764 HA HIS 110 HA HIS 110 -6.243 11.182 -10.908 765 1HB HIS 110 2HB HIS 110 -7.486 8.474 -10.428 766 2HB HIS 110 3HB HIS 110 -6.526 9.270 -9.197 767 HD1 HIS 110 HD1 HIS 110 -9.786 9.596 -11.088 768 HD2 HIS 110 HD2 HIS 110 -7.766 11.434 -7.904 769 HE1 HIS 110 HE1 HIS 110 -11.478 11.140 -9.964 770 H SER 111 HN SER 111 -5.647 7.827 -12.150 771 HA SER 111 HA SER 111 -3.829 6.655 -12.351 772 1HB SER 111 2HB SER 111 -3.349 8.760 -13.830 773 2HB SER 111 3HB SER 111 -2.208 9.211 -12.578 774 HG SER 111 HG SER 111 -1.735 6.617 -13.120 775 H ILE 112 HN ILE 112 -3.670 5.738 -10.253 776 HA ILE 112 HA ILE 112 -2.025 7.228 -8.342 777 HB ILE 112 HB ILE 112 -3.081 6.097 -6.634 778 1HG1 ILE 112 2HG1 ILE 112 -4.749 4.110 -7.667 779 2HG1 ILE 112 3HG1 ILE 112 -3.254 3.914 -8.561 780 1HG2 ILE 112 1HG2 ILE 112 -4.603 7.483 -8.435 781 2HG2 ILE 112 2HG2 ILE 112 -5.516 5.963 -8.276 782 3HG2 ILE 112 3HG2 ILE 112 -5.148 6.936 -6.831 783 1HD1 ILE 112 1HD1 ILE 112 -1.984 3.930 -6.383 784 2HD1 ILE 112 2HD1 ILE 112 -3.541 4.003 -5.523 785 3HD1 ILE 112 3HD1 ILE 112 -3.137 2.580 -6.514 786 H ILE 113 HN ILE 113 -1.823 4.881 -10.766 787 HA ILE 113 HA ILE 113 -0.339 2.851 -9.706 788 HB ILE 113 HB ILE 113 -0.386 4.207 -12.377 789 1HG1 ILE 113 2HG1 ILE 113 -2.271 2.754 -11.600 790 2HG1 ILE 113 3HG1 ILE 113 -1.516 2.240 -13.095 791 1HG2 ILE 113 1HG2 ILE 113 1.847 3.556 -12.414 792 2HG2 ILE 113 2HG2 ILE 113 1.543 2.090 -11.451 793 3HG2 ILE 113 3HG2 ILE 113 1.003 2.170 -13.145 794 1HD1 ILE 113 1HD1 ILE 113 -1.446 0.950 -10.387 795 2HD1 ILE 113 2HD1 ILE 113 -1.543 0.202 -11.999 796 3HD1 ILE 113 3HD1 ILE 113 0.016 0.809 -11.392 797 H GLY 114 HN GLY 114 1.457 2.838 -8.476 798 1HA GLY 114 1HA GLY 114 3.762 3.233 -8.257 799 2HA GLY 114 2HA GLY 114 3.602 4.732 -9.151 800 H ARG 115 HN ARG 115 1.569 3.507 -6.416 801 HA ARG 115 HA ARG 115 1.917 6.034 -5.141 802 1HB ARG 115 2HB ARG 115 -0.044 3.939 -5.131 803 2HB ARG 115 3HB ARG 115 0.541 4.069 -3.485 804 1HG ARG 115 2HG ARG 115 0.075 6.509 -3.481 805 2HG ARG 115 3HG ARG 115 -0.437 6.433 -5.156 806 1HD ARG 115 2HD ARG 115 -2.083 4.520 -4.154 807 2HD ARG 115 3HD ARG 115 -1.855 5.453 -2.688 808 HE ARG 115 HE ARG 115 -2.409 7.300 -4.778 809 1HH1 ARG 115 2HH2 ARG 115 -4.034 4.702 -3.048 810 2HH1 ARG 115 1HH2 ARG 115 -5.616 5.372 -3.269 811 1HH2 ARG 115 2HH1 ARG 115 -4.496 8.184 -5.070 812 2HH2 ARG 115 1HH1 ARG 115 -5.880 7.366 -4.426 813 H THR 116 HN THR 116 4.219 5.942 -4.600 814 HA THR 116 HA THR 116 5.592 3.949 -3.394 815 HB THR 116 HB THR 116 5.938 6.753 -2.338 816 HG1 THR 116 1HG THR 116 6.304 5.830 -5.101 817 1HG2 THR 116 1HG2 THR 116 7.593 4.480 -2.709 818 2HG2 THR 116 2HG2 THR 116 8.042 5.590 -4.026 819 3HG2 THR 116 3HG2 THR 116 8.140 6.131 -2.333 820 H LEU 117 HN LEU 117 4.518 2.584 -1.999 821 HA LEU 117 HA LEU 117 3.143 3.716 0.261 822 1HB LEU 117 2HB LEU 117 3.116 1.282 -1.202 823 2HB LEU 117 3HB LEU 117 3.530 0.890 0.456 824 HG LEU 117 HG LEU 117 1.188 0.700 0.311 825 1HD1 LEU 117 1HD1 LEU 117 2.153 2.028 2.264 826 2HD1 LEU 117 2HD1 LEU 117 1.502 3.474 1.457 827 3HD1 LEU 117 3HD1 LEU 117 0.403 2.170 1.967 828 1HD2 LEU 117 1HD2 LEU 117 1.087 3.435 -0.992 829 2HD2 LEU 117 2HD2 LEU 117 0.888 1.874 -1.823 830 3HD2 LEU 117 3HD2 LEU 117 -0.303 2.393 -0.607 831 H VAL 118 HN VAL 118 5.202 4.927 0.900 832 HA VAL 118 HA VAL 118 7.059 3.148 2.297 833 HB VAL 118 HB VAL 118 8.622 4.882 2.202 834 1HG1 VAL 118 1HG1 VAL 118 7.507 3.882 -0.108 835 2HG1 VAL 118 2HG1 VAL 118 7.488 5.636 -0.406 836 3HG1 VAL 118 3HG1 VAL 118 9.019 4.817 -0.010 837 1HG2 VAL 118 1HG2 VAL 118 7.807 6.896 2.833 838 2HG2 VAL 118 2HG2 VAL 118 7.642 7.159 1.080 839 3HG2 VAL 118 3HG2 VAL 118 6.237 6.630 2.036 840 H VAL 119 HN VAL 119 7.952 4.378 4.419 841 HA VAL 119 HA VAL 119 5.727 5.616 5.829 842 HB VAL 119 HB VAL 119 6.180 4.054 7.763 843 1HG1 VAL 119 1HG1 VAL 119 4.113 3.800 6.662 844 2HG1 VAL 119 2HG1 VAL 119 4.873 3.133 5.197 845 3HG1 VAL 119 3HG1 VAL 119 4.811 2.163 6.688 846 1HG2 VAL 119 1HG2 VAL 119 8.053 2.812 7.470 847 2HG2 VAL 119 2HG2 VAL 119 6.931 1.704 6.645 848 3HG2 VAL 119 3HG2 VAL 119 7.924 2.834 5.694 849 H HIS 120 HN HIS 120 6.412 6.882 7.658 850 HA HIS 120 HA HIS 120 9.148 7.739 7.355 851 1HB HIS 120 2HB HIS 120 6.658 8.820 8.582 852 2HB HIS 120 3HB HIS 120 8.176 9.333 9.293 853 HD1 HIS 120 HD1 HIS 120 9.832 9.450 6.571 854 HD2 HIS 120 HD2 HIS 120 6.068 11.176 7.243 855 HE1 HIS 120 HE1 HIS 120 9.600 11.342 4.875 856 H GLU 121 HN GLU 121 10.361 8.283 9.512 857 HA GLU 121 HA GLU 121 10.353 5.813 10.995 858 1HB GLU 121 2HB GLU 121 12.440 7.034 10.002 859 2HB GLU 121 3HB GLU 121 12.297 8.112 11.376 860 1HG GLU 121 2HG GLU 121 12.053 5.513 12.480 861 2HG GLU 121 3HG GLU 121 13.319 5.365 11.278 862 H LYS 122 HN LYS 122 8.247 8.037 11.261 863 HA LYS 122 HA LYS 122 7.866 7.833 14.000 864 1HB LYS 122 2HB LYS 122 9.902 9.590 13.610 865 2HB LYS 122 3HB LYS 122 8.535 10.684 13.534 866 1HG LYS 122 2HG LYS 122 8.320 8.706 15.732 867 2HG LYS 122 3HG LYS 122 9.729 9.738 15.873 868 1HD LYS 122 2HD LYS 122 8.478 11.616 16.304 869 2HD LYS 122 3HD LYS 122 7.256 11.201 15.119 870 1HE LYS 122 2HE LYS 122 5.922 10.694 16.897 871 2HE LYS 122 3HE LYS 122 6.870 9.228 17.041 872 1HZ LYS 122 1HZ LYS 122 8.172 10.167 18.675 873 2HZ LYS 122 2HZ LYS 122 7.775 11.705 18.297 874 3HZ LYS 122 3HZ LYS 122 6.688 10.742 19.043 875 H ALA 123 HN ALA 123 5.880 8.960 14.679 876 HA ALA 123 HA ALA 123 4.025 9.054 12.544 877 1HB ALA 123 1HB ALA 123 2.575 9.977 14.542 878 2HB ALA 123 2HB ALA 123 3.135 8.288 14.559 879 3HB ALA 123 3HB ALA 123 3.987 9.518 15.523 880 H ASP 124 HN ASP 124 2.674 10.916 11.934 881 HA ASP 124 HA ASP 124 4.059 13.020 11.072 882 1HB ASP 124 2HB ASP 124 1.661 14.243 11.511 883 2HB ASP 124 3HB ASP 124 1.939 13.113 10.201 884 H ASP 125 HN ASP 125 1.523 13.872 13.462 885 HA ASP 125 HA ASP 125 2.742 14.373 15.708 886 1HB ASP 125 2HB ASP 125 3.838 16.198 13.643 887 2HB ASP 125 3HB ASP 125 3.247 17.044 15.059 888 H LEU 126 HN LEU 126 0.759 15.547 13.042 889 HA LEU 126 HA LEU 126 -1.119 16.712 12.911 890 1HB LEU 126 2HB LEU 126 -1.420 15.221 15.491 891 2HB LEU 126 3HB LEU 126 -2.667 16.344 14.988 892 HG LEU 126 HG LEU 126 -1.767 14.317 12.990 893 1HD1 LEU 126 1HD1 LEU 126 -3.467 12.703 13.989 894 2HD1 LEU 126 2HD1 LEU 126 -1.897 12.841 14.817 895 3HD1 LEU 126 3HD1 LEU 126 -3.331 13.656 15.486 896 1HD2 LEU 126 1HD2 LEU 126 -3.406 15.654 12.094 897 2HD2 LEU 126 2HD2 LEU 126 -4.380 14.312 12.743 898 3HD2 LEU 126 3HD2 LEU 126 -4.261 15.843 13.644 899 H GLY 127 HN GLY 127 1.367 17.956 14.191 900 1HA GLY 127 1HA GLY 127 0.109 20.001 15.884 901 2HA GLY 127 2HA GLY 127 1.824 19.683 15.710 902 H LYS 128 HN LYS 128 -1.078 20.857 13.895 903 HA LYS 128 HA LYS 128 0.210 21.819 11.665 904 1HB LYS 128 2HB LYS 128 -2.381 21.943 12.829 905 2HB LYS 128 3HB LYS 128 -1.933 23.585 12.414 906 1HG LYS 128 2HG LYS 128 -1.482 21.324 10.435 907 2HG LYS 128 3HG LYS 128 -3.061 22.069 10.583 908 1HD LYS 128 2HD LYS 128 -0.705 23.920 10.318 909 2HD LYS 128 3HD LYS 128 -1.157 23.006 8.893 910 1HE LYS 128 2HE LYS 128 -2.874 24.434 8.503 911 2HE LYS 128 3HE LYS 128 -3.590 24.015 10.047 912 1HZ LYS 128 1HZ LYS 128 -2.640 25.793 11.046 913 2HZ LYS 128 2HZ LYS 128 -1.352 25.859 10.045 914 3HZ LYS 128 3HZ LYS 128 -2.803 26.416 9.545 915 H GLY 129 HN GLY 129 0.284 22.958 14.985 916 1HA GLY 129 1HA GLY 129 0.764 25.601 14.892 917 2HA GLY 129 2HA GLY 129 1.659 24.497 15.918 918 H GLY 130 HN GLY 130 3.193 23.010 14.114 919 1HA GLY 130 1HA GLY 130 5.376 24.649 13.637 920 2HA GLY 130 2HA GLY 130 5.095 23.075 12.920 921 H ASN 131 HN ASN 131 6.344 24.346 11.123 922 HA ASN 131 HA ASN 131 4.335 25.158 9.250 923 1HB ASN 131 2HB ASN 131 6.610 26.994 10.146 924 2HB ASN 131 3HB ASN 131 5.796 27.211 8.609 925 1HD2 ASN 131 1HD2 ASN 131 5.763 27.812 11.929 926 2HD2 ASN 131 2HD2 ASN 131 4.191 28.522 12.090 927 H GLU 132 HN GLU 132 5.039 24.657 7.091 928 HA GLU 132 HA GLU 132 6.150 23.355 5.701 929 1HB GLU 132 2HB GLU 132 8.305 25.372 6.468 930 2HB GLU 132 3HB GLU 132 8.384 24.350 5.046 931 1HG GLU 132 2HG GLU 132 7.396 26.226 4.099 932 2HG GLU 132 3HG GLU 132 5.949 25.359 4.574 933 H GLN 133 HN GLN 133 6.204 22.329 8.469 934 HA GLN 133 HA GLN 133 8.558 20.678 8.145 935 1HB GLN 133 2HB GLN 133 9.019 22.567 9.818 936 2HB GLN 133 3HB GLN 133 7.802 21.847 10.854 937 1HG GLN 133 2HG GLN 133 9.496 20.574 11.691 938 2HG GLN 133 3HG GLN 133 9.359 19.639 10.215 939 1HE2 GLN 133 1HE2 GLN 133 10.898 22.507 11.618 940 2HE2 GLN 133 2HE2 GLN 133 12.377 22.435 10.719 941 H SER 134 HN SER 134 5.995 21.141 10.686 942 HA SER 134 HA SER 134 5.430 18.318 10.427 943 1HB SER 134 2HB SER 134 4.035 18.748 12.526 944 2HB SER 134 3HB SER 134 5.762 18.992 12.697 945 HG SER 134 HG SER 134 3.690 20.983 12.454 946 H THR 135 HN THR 135 4.327 21.348 9.277 947 HA THR 135 HA THR 135 1.521 20.687 9.221 948 HB THR 135 HB THR 135 1.515 22.869 7.851 949 HG1 THR 135 1HG THR 135 3.592 23.094 7.059 950 1HG2 THR 135 1HG2 THR 135 1.303 22.937 10.368 951 2HG2 THR 135 2HG2 THR 135 3.079 22.974 10.485 952 3HG2 THR 135 3HG2 THR 135 2.208 24.330 9.727 953 H LYS 136 HN LYS 136 4.250 19.666 7.483 954 HA LYS 136 HA LYS 136 2.534 19.059 5.175 955 1HB LYS 136 2HB LYS 136 4.739 18.930 3.909 956 2HB LYS 136 3HB LYS 136 4.170 20.526 4.355 957 1HG LYS 136 2HG LYS 136 5.939 20.900 5.757 958 2HG LYS 136 3HG LYS 136 5.843 19.297 6.460 959 1HD LYS 136 2HD LYS 136 6.866 18.433 4.231 960 2HD LYS 136 3HD LYS 136 7.224 20.110 3.870 961 1HE LYS 136 2HE LYS 136 8.071 19.533 6.590 962 2HE LYS 136 3HE LYS 136 8.727 18.311 5.519 963 1HZ LYS 136 1HZ LYS 136 9.545 20.107 4.113 964 2HZ LYS 136 2HZ LYS 136 8.992 21.217 5.176 965 3HZ LYS 136 3HZ LYS 136 10.175 20.182 5.618 966 H THR 137 HN THR 137 4.984 17.938 7.535 967 HA THR 137 HA THR 137 4.219 15.188 6.818 968 HB THR 137 HB THR 137 6.631 14.591 7.280 969 HG1 THR 137 1HG THR 137 8.037 16.431 7.603 970 1HG2 THR 137 1HG2 THR 137 7.559 16.305 5.362 971 2HG2 THR 137 2HG2 THR 137 6.590 14.864 4.971 972 3HG2 THR 137 3HG2 THR 137 5.809 16.460 5.078 973 H GLY 138 HN GLY 138 6.330 16.625 9.371 974 1HA GLY 138 1HA GLY 138 4.707 16.798 11.493 975 2HA GLY 138 2HA GLY 138 4.905 15.062 11.358 976 H ASN 139 HN ASN 139 7.266 17.713 10.622 977 HA ASN 139 HA ASN 139 9.377 17.887 11.179 978 1HB ASN 139 2HB ASN 139 8.075 18.895 13.154 979 2HB ASN 139 3HB ASN 139 8.342 17.395 14.019 980 1HD2 ASN 139 1HD2 ASN 139 9.226 19.709 15.074 981 2HD2 ASN 139 2HD2 ASN 139 10.955 19.813 15.039 982 H ALA 140 HN ALA 140 8.503 15.096 10.597 983 HA ALA 140 HA ALA 140 10.771 13.735 11.652 984 1HB ALA 140 1HB ALA 140 9.830 12.363 13.214 985 2HB ALA 140 2HB ALA 140 8.657 13.693 13.367 986 3HB ALA 140 3HB ALA 140 8.273 12.280 12.355 987 H GLY 141 HN GLY 141 10.324 14.380 9.079 988 1HA GLY 141 1HA GLY 141 8.971 12.086 7.825 989 2HA GLY 141 2HA GLY 141 9.382 13.608 7.061 990 H SER 142 HN SER 142 10.632 10.475 8.217 991 HA SER 142 HA SER 142 12.997 10.989 6.590 992 1HB SER 142 2HB SER 142 13.056 10.675 9.321 993 2HB SER 142 3HB SER 142 13.254 9.011 8.807 994 HG SER 142 HG SER 142 15.156 9.506 7.752 995 H ARG 143 HN ARG 143 11.648 10.002 4.843 996 HA ARG 143 HA ARG 143 10.334 7.739 4.826 997 1HB ARG 143 2HB ARG 143 12.345 8.813 2.812 998 2HB ARG 143 3HB ARG 143 11.467 7.335 2.471 999 1HG ARG 143 2HG ARG 143 9.552 8.467 1.988 1000 2HG ARG 143 3HG ARG 143 9.652 9.415 3.459 1001 1HD ARG 143 2HD ARG 143 11.339 10.001 0.981 1002 2HD ARG 143 3HD ARG 143 9.790 10.761 1.285 1003 HE ARG 143 HE ARG 143 10.730 11.900 3.199 1004 1HH1 ARG 143 2HH2 ARG 143 13.080 9.962 1.437 1005 2HH1 ARG 143 1HH2 ARG 143 14.451 10.757 2.138 1006 1HH2 ARG 143 2HH1 ARG 143 12.537 12.949 4.123 1007 2HH2 ARG 143 1HH1 ARG 143 14.140 12.467 3.676 1008 H LEU 144 HN LEU 144 10.860 5.434 4.260 1009 HA LEU 144 HA LEU 144 13.594 4.685 4.989 1010 1HB LEU 144 2HB LEU 144 11.036 3.609 6.166 1011 2HB LEU 144 3HB LEU 144 12.559 2.746 6.247 1012 HG LEU 144 HG LEU 144 12.716 5.534 7.191 1013 1HD1 LEU 144 1HD1 LEU 144 10.370 4.408 7.879 1014 2HD1 LEU 144 2HD1 LEU 144 11.405 3.764 9.176 1015 3HD1 LEU 144 3HD1 LEU 144 11.276 5.522 8.931 1016 1HD2 LEU 144 1HD2 LEU 144 13.689 2.827 8.073 1017 2HD2 LEU 144 2HD2 LEU 144 14.619 4.265 7.587 1018 3HD2 LEU 144 3HD2 LEU 144 13.784 4.234 9.159 1019 H ALA 145 HN ALA 145 10.711 2.626 4.399 1020 HA ALA 145 HA ALA 145 12.136 1.278 2.312 1021 1HB ALA 145 1HB ALA 145 9.218 0.844 2.883 1022 2HB ALA 145 2HB ALA 145 10.499 -0.343 2.542 1023 3HB ALA 145 3HB ALA 145 10.402 0.426 4.144 1024 H CYS 146 HN CYS 146 10.845 0.796 0.183 1025 HA CYS 146 HA CYS 146 9.169 2.956 -0.668 1026 1HB CYS 146 2HB CYS 146 10.807 3.258 -2.715 1027 2HB CYS 146 3HB CYS 146 10.931 4.235 -1.266 1028 H GLY 147 HN GLY 147 7.959 0.775 -0.616 1029 1HA GLY 147 1HA GLY 147 8.675 -1.290 -2.421 1030 2HA GLY 147 2HA GLY 147 7.129 -1.057 -1.630 1031 H VAL 148 HN VAL 148 6.016 1.199 -2.533 1032 HA VAL 148 HA VAL 148 5.021 2.201 -4.235 1033 HB VAL 148 HB VAL 148 7.377 1.222 -5.860 1034 1HG1 VAL 148 1HG1 VAL 148 5.611 3.595 -6.490 1035 2HG1 VAL 148 2HG1 VAL 148 6.785 2.767 -7.541 1036 3HG1 VAL 148 3HG1 VAL 148 5.258 1.962 -7.105 1037 1HG2 VAL 148 1HG2 VAL 148 7.084 4.033 -4.846 1038 2HG2 VAL 148 2HG2 VAL 148 7.686 2.768 -3.748 1039 3HG2 VAL 148 3HG2 VAL 148 8.553 3.118 -5.263 1040 H ILE 149 HN ILE 149 3.528 1.730 -5.985 1041 HA ILE 149 HA ILE 149 2.904 -1.098 -6.052 1042 HB ILE 149 HB ILE 149 1.475 1.452 -6.500 1043 1HG1 ILE 149 2HG1 ILE 149 -0.291 -0.428 -5.542 1044 2HG1 ILE 149 3HG1 ILE 149 1.233 -1.008 -4.898 1045 1HG2 ILE 149 1HG2 ILE 149 0.936 0.696 -8.617 1046 2HG2 ILE 149 2HG2 ILE 149 0.966 -1.017 -8.133 1047 3HG2 ILE 149 3HG2 ILE 149 -0.387 0.026 -7.633 1048 1HD1 ILE 149 1HD1 ILE 149 -0.154 1.632 -4.409 1049 2HD1 ILE 149 2HD1 ILE 149 0.578 0.509 -3.238 1050 3HD1 ILE 149 3HD1 ILE 149 1.617 1.538 -4.252 1051 H GLY 150 HN GLY 150 2.999 -2.414 -7.860 1052 1HA GLY 150 1HA GLY 150 3.726 -1.192 -10.419 1053 2HA GLY 150 2HA GLY 150 4.861 -2.319 -9.702 1054 H ILE 151 HN ILE 151 2.130 -2.008 -11.719 1055 HA ILE 151 HA ILE 151 0.493 -4.071 -11.302 1056 HB ILE 151 HB ILE 151 1.717 -3.047 -13.850 1057 1HG1 ILE 151 2HG1 ILE 151 0.228 -1.578 -12.460 1058 2HG1 ILE 151 3HG1 ILE 151 -0.308 -1.840 -14.107 1059 1HG2 ILE 151 1HG2 ILE 151 -0.643 -4.346 -14.551 1060 2HG2 ILE 151 2HG2 ILE 151 1.018 -4.864 -14.926 1061 3HG2 ILE 151 3HG2 ILE 151 0.194 -5.495 -13.479 1062 1HD1 ILE 151 1HD1 ILE 151 -1.898 -2.181 -11.889 1063 2HD1 ILE 151 2HD1 ILE 151 -2.188 -2.976 -13.455 1064 3HD1 ILE 151 3HD1 ILE 151 -1.329 -3.846 -12.161 1065 H ALA 152 HN ALA 152 0.432 -6.320 -11.548 1066 HA ALA 152 HA ALA 152 2.884 -7.621 -12.420 1067 1HB ALA 152 1HB ALA 152 1.592 -8.301 -9.756 1068 2HB ALA 152 2HB ALA 152 3.140 -8.890 -10.409 1069 3HB ALA 152 3HB ALA 152 2.976 -7.191 -9.904 1070 H GLN 153 HN GLN 153 2.506 -10.024 -12.715 1071 HA GLN 153 HA GLN 153 -0.064 -10.327 -13.915 1072 1HB GLN 153 2HB GLN 153 0.848 -12.483 -14.734 1073 2HB GLN 153 3HB GLN 153 1.941 -11.155 -15.069 1074 1HG GLN 153 2HG GLN 153 2.728 -12.032 -12.511 1075 2HG GLN 153 3HG GLN 153 2.345 -13.518 -13.357 1076 1HE2 GLN 153 1HE2 GLN 153 3.611 -14.252 -14.967 1077 2HE2 GLN 153 2HE2 GLN 153 5.088 -13.515 -15.490 Start of MODEL 22 1 1H ALA 1 HN ALA 1 -8.429 -10.403 -14.783 2 HA ALA 1 HA ALA 1 -8.563 -8.206 -14.493 3 1HB ALA 1 1HB ALA 1 -8.485 -7.619 -11.882 4 2HB ALA 1 2HB ALA 1 -9.848 -8.509 -12.602 5 3HB ALA 1 3HB ALA 1 -8.566 -9.391 -11.738 6 H THR 2 HN THR 2 -7.395 -6.337 -12.767 7 HA THR 2 HA THR 2 -4.536 -6.697 -13.390 8 HB THR 2 HB THR 2 -5.908 -4.005 -13.105 9 HG1 THR 2 1HG THR 2 -7.144 -5.465 -14.577 10 1HG2 THR 2 1HG2 THR 2 -4.002 -4.754 -15.310 11 2HG2 THR 2 2HG2 THR 2 -4.132 -3.229 -14.400 12 3HG2 THR 2 3HG2 THR 2 -3.317 -4.633 -13.671 13 H LYS 3 HN LYS 3 -3.404 -7.199 -11.624 14 HA LYS 3 HA LYS 3 -4.134 -5.758 -9.170 15 1HB LYS 3 2HB LYS 3 -4.776 -8.107 -8.993 16 2HB LYS 3 3HB LYS 3 -3.165 -8.618 -9.453 17 1HG LYS 3 2HG LYS 3 -2.432 -7.061 -7.398 18 2HG LYS 3 3HG LYS 3 -4.084 -7.331 -6.879 19 1HD LYS 3 2HD LYS 3 -2.736 -9.811 -7.780 20 2HD LYS 3 3HD LYS 3 -1.932 -9.052 -6.420 21 1HE LYS 3 2HE LYS 3 -3.852 -9.217 -5.022 22 2HE LYS 3 3HE LYS 3 -4.946 -9.403 -6.378 23 1HZ LYS 3 1HZ LYS 3 -2.964 -11.439 -6.267 24 2HZ LYS 3 2HZ LYS 3 -3.908 -11.410 -4.934 25 3HZ LYS 3 3HZ LYS 3 -4.585 -11.574 -6.411 26 H ALA 4 HN ALA 4 -2.438 -4.873 -7.952 27 HA ALA 4 HA ALA 4 0.185 -5.035 -9.274 28 1HB ALA 4 1HB ALA 4 -0.243 -2.644 -7.662 29 2HB ALA 4 2HB ALA 4 0.235 -2.787 -9.370 30 3HB ALA 4 3HB ALA 4 -1.488 -2.802 -8.924 31 H VAL 5 HN VAL 5 2.054 -4.706 -7.766 32 HA VAL 5 HA VAL 5 1.386 -5.415 -5.007 33 HB VAL 5 HB VAL 5 3.646 -6.742 -6.480 34 1HG1 VAL 5 1HG1 VAL 5 2.836 -8.514 -4.630 35 2HG1 VAL 5 2HG1 VAL 5 4.003 -7.216 -4.280 36 3HG1 VAL 5 3HG1 VAL 5 2.289 -7.015 -3.841 37 1HG2 VAL 5 1HG2 VAL 5 1.692 -7.311 -7.786 38 2HG2 VAL 5 2HG2 VAL 5 2.155 -8.717 -6.797 39 3HG2 VAL 5 3HG2 VAL 5 0.772 -7.706 -6.314 40 H ALA 6 HN ALA 6 3.194 -4.935 -3.487 41 HA ALA 6 HA ALA 6 5.328 -3.299 -4.506 42 1HB ALA 6 1HB ALA 6 4.284 -1.606 -2.556 43 2HB ALA 6 2HB ALA 6 4.194 -1.356 -4.316 44 3HB ALA 6 3HB ALA 6 2.844 -2.136 -3.458 45 H VAL 7 HN VAL 7 6.732 -4.817 -3.566 46 HA VAL 7 HA VAL 7 6.337 -5.565 -0.816 47 HB VAL 7 HB VAL 7 8.448 -6.154 -2.893 48 1HG1 VAL 7 1HG1 VAL 7 8.395 -6.730 0.038 49 2HG1 VAL 7 2HG1 VAL 7 8.969 -8.016 -1.051 50 3HG1 VAL 7 3HG1 VAL 7 9.773 -6.427 -1.048 51 1HG2 VAL 7 1HG2 VAL 7 6.698 -7.470 -3.534 52 2HG2 VAL 7 2HG2 VAL 7 7.383 -8.539 -2.287 53 3HG2 VAL 7 3HG2 VAL 7 5.982 -7.510 -1.905 54 H LEU 8 HN LEU 8 6.570 -3.835 0.575 55 HA LEU 8 HA LEU 8 8.065 -1.635 0.338 56 1HB LEU 8 2HB LEU 8 7.256 -3.311 2.666 57 2HB LEU 8 3HB LEU 8 8.388 -2.003 2.946 58 HG LEU 8 HG LEU 8 5.852 -1.588 3.262 59 1HD1 LEU 8 1HD1 LEU 8 6.147 0.704 2.921 60 2HD1 LEU 8 2HD1 LEU 8 7.796 0.090 3.189 61 3HD1 LEU 8 3HD1 LEU 8 7.241 0.457 1.538 62 1HD2 LEU 8 1HD2 LEU 8 6.072 -1.774 0.284 63 2HD2 LEU 8 2HD2 LEU 8 4.768 -2.303 1.375 64 3HD2 LEU 8 3HD2 LEU 8 4.965 -0.575 0.997 65 H LYS 9 HN LYS 9 10.200 -0.936 1.036 66 HA LYS 9 HA LYS 9 12.173 -2.711 1.871 67 1HB LYS 9 2HB LYS 9 11.872 -3.773 -0.320 68 2HB LYS 9 3HB LYS 9 12.160 -2.244 -1.126 69 1HG LYS 9 2HG LYS 9 14.402 -2.551 -1.008 70 2HG LYS 9 3HG LYS 9 14.326 -2.699 0.737 71 1HD LYS 9 2HD LYS 9 14.259 -5.025 0.687 72 2HD LYS 9 3HD LYS 9 13.404 -5.081 -0.841 73 1HE LYS 9 2HE LYS 9 15.591 -4.186 -1.923 74 2HE LYS 9 3HE LYS 9 16.370 -4.544 -0.395 75 1HZ LYS 9 1HZ LYS 9 16.079 -6.301 -2.342 76 2HZ LYS 9 2HZ LYS 9 16.232 -6.725 -0.772 77 3HZ LYS 9 3HZ LYS 9 14.753 -6.662 -1.460 78 H GLY 10 HN GLY 10 13.147 -1.219 3.140 79 1HA GLY 10 1HA GLY 10 14.330 1.103 1.840 80 2HA GLY 10 2HA GLY 10 13.130 1.439 3.073 81 H ASP 11 HN ASP 11 13.756 1.467 5.206 82 HA ASP 11 HA ASP 11 16.250 1.623 6.006 83 1HB ASP 11 2HB ASP 11 14.473 2.040 7.571 84 2HB ASP 11 3HB ASP 11 13.852 0.409 7.424 85 H GLY 12 HN GLY 12 14.283 -1.444 6.294 86 1HA GLY 12 1HA GLY 12 15.950 -3.251 5.178 87 2HA GLY 12 2HA GLY 12 16.648 -3.033 6.771 88 HA PRO 13 HA PRO 13 13.364 -5.247 8.608 89 1HB PRO 13 2HB PRO 13 12.183 -3.705 10.531 90 2HB PRO 13 3HB PRO 13 13.728 -4.502 10.756 91 1HG PRO 13 2HG PRO 13 13.173 -1.641 10.261 92 2HG PRO 13 3HG PRO 13 14.626 -2.383 10.901 93 1HD PRO 13 2HD PRO 13 14.237 -1.385 8.240 94 2HD PRO 13 3HD PRO 13 15.647 -2.231 8.846 95 H VAL 14 HN VAL 14 12.100 -2.062 7.833 96 HA VAL 14 HA VAL 14 9.429 -2.841 7.722 97 HB VAL 14 HB VAL 14 11.021 -0.649 6.397 98 1HG1 VAL 14 1HG1 VAL 14 7.995 -0.819 6.460 99 2HG1 VAL 14 2HG1 VAL 14 9.011 0.389 5.637 100 3HG1 VAL 14 3HG1 VAL 14 8.976 -1.292 5.052 101 1HG2 VAL 14 1HG2 VAL 14 8.979 0.177 8.273 102 2HG2 VAL 14 2HG2 VAL 14 10.060 -1.025 9.019 103 3HG2 VAL 14 3HG2 VAL 14 10.735 0.462 8.311 104 H GLN 15 HN GLN 15 9.216 -4.880 6.701 105 HA GLN 15 HA GLN 15 9.813 -4.787 3.846 106 1HB GLN 15 2HB GLN 15 10.013 -7.001 5.881 107 2HB GLN 15 3HB GLN 15 9.619 -7.431 4.229 108 1HG GLN 15 2HG GLN 15 11.658 -6.418 3.382 109 2HG GLN 15 3HG GLN 15 11.991 -5.645 4.919 110 1HE2 GLN 15 1HE2 GLN 15 11.837 -7.357 6.819 111 2HE2 GLN 15 2HE2 GLN 15 12.831 -8.760 6.610 112 H GLY 16 HN GLY 16 7.463 -3.579 4.795 113 1HA GLY 16 1HA GLY 16 5.210 -5.132 5.098 114 2HA GLY 16 2HA GLY 16 5.256 -3.541 4.365 115 H ILE 17 HN ILE 17 3.389 -5.405 3.461 116 HA ILE 17 HA ILE 17 4.357 -5.804 0.745 117 HB ILE 17 HB ILE 17 2.986 -7.990 2.313 118 1HG1 ILE 17 2HG1 ILE 17 5.878 -7.878 1.413 119 2HG1 ILE 17 3HG1 ILE 17 5.345 -7.531 3.046 120 1HG2 ILE 17 1HG2 ILE 17 3.206 -7.506 -0.475 121 2HG2 ILE 17 2HG2 ILE 17 4.278 -8.872 -0.081 122 3HG2 ILE 17 3HG2 ILE 17 2.554 -8.938 0.358 123 1HD1 ILE 17 1HD1 ILE 17 6.122 -9.966 2.471 124 2HD1 ILE 17 2HD1 ILE 17 4.645 -9.756 3.442 125 3HD1 ILE 17 3HD1 ILE 17 4.524 -10.124 1.704 126 H ILE 18 HN ILE 18 3.069 -4.178 -0.085 127 HA ILE 18 HA ILE 18 0.195 -4.484 0.443 128 HB ILE 18 HB ILE 18 0.780 -2.435 1.352 129 1HG1 ILE 18 2HG1 ILE 18 -1.116 -2.392 -0.321 130 2HG1 ILE 18 3HG1 ILE 18 -0.404 -0.841 0.080 131 1HG2 ILE 18 1HG2 ILE 18 2.119 -0.804 -0.342 132 2HG2 ILE 18 2HG2 ILE 18 2.897 -1.815 0.899 133 3HG2 ILE 18 3HG2 ILE 18 2.821 -2.378 -0.788 134 1HD1 ILE 18 1HD1 ILE 18 0.007 -0.488 -2.115 135 2HD1 ILE 18 2HD1 ILE 18 1.113 -1.883 -2.112 136 3HD1 ILE 18 3HD1 ILE 18 -0.608 -2.111 -2.507 137 H ASN 19 HN ASN 19 -1.212 -4.616 -1.308 138 HA ASN 19 HA ASN 19 0.070 -4.476 -3.914 139 1HB ASN 19 2HB ASN 19 -2.085 -6.472 -3.820 140 2HB ASN 19 3HB ASN 19 -0.446 -6.654 -4.414 141 1HD2 ASN 19 1HD2 ASN 19 0.692 -8.121 -3.427 142 2HD2 ASN 19 2HD2 ASN 19 0.584 -8.604 -1.767 143 H PHE 20 HN PHE 20 -1.704 -4.307 -5.708 144 HA PHE 20 HA PHE 20 -3.999 -2.837 -4.617 145 1HB PHE 20 2HB PHE 20 -2.115 -2.548 -6.981 146 2HB PHE 20 3HB PHE 20 -3.770 -2.027 -7.226 147 HD1 PHE 20 1HD PHE 20 -3.016 0.268 -7.597 148 HD2 PHE 20 2HD PHE 20 -2.280 -1.705 -3.913 149 HE1 PHE 20 1HE PHE 20 -2.481 2.472 -6.523 150 HE2 PHE 20 2HE PHE 20 -1.745 0.500 -2.839 151 HZ PHE 20 HZ PHE 20 -1.852 2.562 -4.157 152 H GLU 21 HN GLU 21 -6.033 -3.554 -5.120 153 HA GLU 21 HA GLU 21 -6.146 -5.635 -7.164 154 1HB GLU 21 2HB GLU 21 -6.573 -6.557 -4.929 155 2HB GLU 21 3HB GLU 21 -7.786 -5.333 -4.611 156 1HG GLU 21 2HG GLU 21 -9.268 -6.898 -5.376 157 2HG GLU 21 3HG GLU 21 -8.750 -6.378 -6.968 158 H GLN 22 HN GLN 22 -7.585 -5.349 -8.852 159 HA GLN 22 HA GLN 22 -9.784 -3.562 -8.509 160 1HB GLN 22 2HB GLN 22 -8.017 -1.947 -9.060 161 2HB GLN 22 3HB GLN 22 -7.535 -2.891 -10.455 162 1HG GLN 22 2HG GLN 22 -10.365 -2.414 -10.683 163 2HG GLN 22 3HG GLN 22 -9.613 -0.887 -10.270 164 1HE2 GLN 22 1HE2 GLN 22 -9.989 -0.003 -12.271 165 2HE2 GLN 22 2HE2 GLN 22 -9.119 -0.449 -13.700 166 H LYS 23 HN LYS 23 -10.618 -5.854 -8.848 167 HA LYS 23 HA LYS 23 -10.305 -6.888 -11.521 168 1HB LYS 23 2HB LYS 23 -12.046 -7.889 -9.250 169 2HB LYS 23 3HB LYS 23 -11.626 -8.757 -10.712 170 1HG LYS 23 2HG LYS 23 -9.147 -8.428 -10.012 171 2HG LYS 23 3HG LYS 23 -9.763 -7.919 -8.452 172 1HD LYS 23 2HD LYS 23 -9.346 -10.259 -8.209 173 2HD LYS 23 3HD LYS 23 -11.085 -10.131 -8.385 174 1HE LYS 23 2HE LYS 23 -10.767 -10.561 -10.894 175 2HE LYS 23 3HE LYS 23 -9.082 -10.904 -10.556 176 1HZ LYS 23 1HZ LYS 23 -9.732 -12.932 -10.058 177 2HZ LYS 23 2HZ LYS 23 -10.517 -12.363 -8.744 178 3HZ LYS 23 3HZ LYS 23 -11.316 -12.549 -10.156 179 H GLU 24 HN GLU 24 -11.225 -4.391 -11.892 180 HA GLU 24 HA GLU 24 -13.817 -4.929 -12.956 181 1HB GLU 24 2HB GLU 24 -13.441 -3.228 -10.542 182 2HB GLU 24 3HB GLU 24 -14.409 -2.496 -11.805 183 1HG GLU 24 2HG GLU 24 -14.899 -5.267 -10.614 184 2HG GLU 24 3HG GLU 24 -15.790 -3.821 -10.185 185 H SER 25 HN SER 25 -14.276 -3.602 -14.769 186 HA SER 25 HA SER 25 -11.984 -2.223 -15.750 187 1HB SER 25 2HB SER 25 -14.728 -2.864 -16.884 188 2HB SER 25 3HB SER 25 -13.615 -1.821 -17.746 189 HG SER 25 HG SER 25 -12.016 -3.617 -17.569 190 H ASN 26 HN ASN 26 -14.735 -1.443 -13.846 191 HA ASN 26 HA ASN 26 -14.118 1.344 -14.156 192 1HB ASN 26 2HB ASN 26 -16.142 0.553 -15.717 193 2HB ASN 26 3HB ASN 26 -17.053 0.562 -14.220 194 1HD2 ASN 26 1HD2 ASN 26 -15.069 2.486 -16.397 195 2HD2 ASN 26 2HD2 ASN 26 -15.682 4.046 -15.963 196 H GLY 27 HN GLY 27 -13.698 -0.706 -12.087 197 1HA GLY 27 1HA GLY 27 -15.638 0.125 -10.015 198 2HA GLY 27 2HA GLY 27 -14.777 -1.401 -10.043 199 HA PRO 28 HA PRO 28 -12.365 1.676 -7.617 200 1HB PRO 28 2HB PRO 28 -12.722 0.668 -5.102 201 2HB PRO 28 3HB PRO 28 -13.672 1.991 -5.747 202 1HG PRO 28 2HG PRO 28 -14.454 -0.832 -5.353 203 2HG PRO 28 3HG PRO 28 -15.481 0.569 -5.585 204 1HD PRO 28 2HD PRO 28 -14.843 -1.433 -7.538 205 2HD PRO 28 3HD PRO 28 -15.774 0.028 -7.801 206 H VAL 29 HN VAL 29 -10.432 1.296 -6.087 207 HA VAL 29 HA VAL 29 -9.293 -1.269 -6.958 208 HB VAL 29 HB VAL 29 -7.853 1.311 -6.319 209 1HG1 VAL 29 1HG1 VAL 29 -6.986 -1.429 -6.781 210 2HG1 VAL 29 2HG1 VAL 29 -6.274 -0.307 -7.966 211 3HG1 VAL 29 3HG1 VAL 29 -6.056 -0.017 -6.224 212 1HG2 VAL 29 1HG2 VAL 29 -8.330 0.146 -9.076 213 2HG2 VAL 29 2HG2 VAL 29 -9.362 1.406 -8.357 214 3HG2 VAL 29 3HG2 VAL 29 -7.637 1.730 -8.653 215 H LYS 30 HN LYS 30 -9.824 -2.571 -5.206 216 HA LYS 30 HA LYS 30 -9.713 -1.649 -2.549 217 1HB LYS 30 2HB LYS 30 -9.891 -4.373 -3.837 218 2HB LYS 30 3HB LYS 30 -9.755 -4.195 -2.099 219 1HG LYS 30 2HG LYS 30 -11.774 -2.723 -2.083 220 2HG LYS 30 3HG LYS 30 -11.904 -2.873 -3.824 221 1HD LYS 30 2HD LYS 30 -11.760 -5.540 -2.982 222 2HD LYS 30 3HD LYS 30 -12.699 -4.783 -1.711 223 1HE LYS 30 2HE LYS 30 -14.346 -5.407 -3.295 224 2HE LYS 30 3HE LYS 30 -14.101 -3.704 -3.629 225 1HZ LYS 30 1HZ LYS 30 -12.260 -5.227 -5.085 226 2HZ LYS 30 2HZ LYS 30 -13.765 -5.796 -5.366 227 3HZ LYS 30 3HZ LYS 30 -13.422 -4.223 -5.641 228 H VAL 31 HN VAL 31 -7.721 -0.612 -2.162 229 HA VAL 31 HA VAL 31 -5.310 -2.156 -2.610 230 HB VAL 31 HB VAL 31 -5.947 0.661 -1.775 231 1HG1 VAL 31 1HG1 VAL 31 -3.322 -0.807 -1.515 232 2HG1 VAL 31 2HG1 VAL 31 -3.378 0.951 -1.788 233 3HG1 VAL 31 3HG1 VAL 31 -4.140 0.250 -0.340 234 1HG2 VAL 31 1HG2 VAL 31 -5.999 0.476 -4.106 235 2HG2 VAL 31 2HG2 VAL 31 -4.348 1.054 -3.775 236 3HG2 VAL 31 3HG2 VAL 31 -4.632 -0.664 -4.145 237 H TRP 32 HN TRP 32 -4.208 -3.271 -1.052 238 HA TRP 32 HA TRP 32 -4.726 -2.672 1.730 239 1HB TRP 32 2HB TRP 32 -5.494 -4.809 2.363 240 2HB TRP 32 3HB TRP 32 -6.534 -4.249 1.068 241 HD1 TRP 32 HD1 TRP 32 -3.539 -6.707 1.528 242 HE1 TRP 32 HE1 TRP 32 -3.678 -8.677 -0.222 243 HE3 TRP 32 HE3 TRP 32 -7.572 -4.893 -0.982 244 HZ2 TRP 32 HZ2 TRP 32 -5.420 -9.243 -2.410 245 HZ3 TRP 32 HZ3 TRP 32 -8.429 -6.216 -2.913 246 HH2 TRP 32 HH2 TRP 32 -7.421 -8.322 -3.638 247 H GLY 33 HN GLY 33 -3.119 -3.880 3.121 248 1HA GLY 33 1HA GLY 33 -1.015 -5.368 1.932 249 2HA GLY 33 2HA GLY 33 -0.538 -3.694 2.130 250 H SER 34 HN SER 34 1.062 -4.983 3.621 251 HA SER 34 HA SER 34 0.111 -4.553 6.273 252 1HB SER 34 2HB SER 34 0.881 -6.869 7.034 253 2HB SER 34 3HB SER 34 -0.628 -6.821 6.146 254 HG SER 34 HG SER 34 1.597 -7.115 4.479 255 H ILE 35 HN ILE 35 1.781 -3.557 7.350 256 HA ILE 35 HA ILE 35 4.404 -3.671 6.131 257 HB ILE 35 HB ILE 35 2.875 -1.811 7.733 258 1HG1 ILE 35 2HG1 ILE 35 5.380 -0.835 6.634 259 2HG1 ILE 35 3HG1 ILE 35 4.531 -1.827 5.465 260 1HG2 ILE 35 1HG2 ILE 35 4.665 -0.932 9.116 261 2HG2 ILE 35 2HG2 ILE 35 4.319 -2.622 9.556 262 3HG2 ILE 35 3HG2 ILE 35 5.755 -2.232 8.578 263 1HD1 ILE 35 1HD1 ILE 35 3.634 0.733 6.791 264 2HD1 ILE 35 2HD1 ILE 35 3.554 0.263 5.076 265 3HD1 ILE 35 3HD1 ILE 35 2.406 -0.433 6.245 266 H LYS 36 HN LYS 36 6.352 -3.870 7.657 267 HA LYS 36 HA LYS 36 5.932 -5.378 10.042 268 1HB LYS 36 2HB LYS 36 7.547 -7.203 8.743 269 2HB LYS 36 3HB LYS 36 5.852 -7.412 9.132 270 1HG LYS 36 2HG LYS 36 5.196 -6.482 6.930 271 2HG LYS 36 3HG LYS 36 6.872 -6.153 6.542 272 1HD LYS 36 2HD LYS 36 6.754 -8.207 5.514 273 2HD LYS 36 3HD LYS 36 7.093 -8.802 7.128 274 1HE LYS 36 2HE LYS 36 4.213 -8.274 6.687 275 2HE LYS 36 3HE LYS 36 4.860 -9.466 5.577 276 1HZ LYS 36 1HZ LYS 36 4.053 -10.186 7.881 277 2HZ LYS 36 2HZ LYS 36 5.425 -10.846 7.290 278 3HZ LYS 36 3HZ LYS 36 5.506 -9.661 8.411 279 H GLY 37 HN GLY 37 7.310 -4.249 11.310 280 1HA GLY 37 1HA GLY 37 9.989 -4.420 11.306 281 2HA GLY 37 2HA GLY 37 9.721 -3.104 10.180 282 H LEU 38 HN LEU 38 7.890 -1.455 11.034 283 HA LEU 38 HA LEU 38 8.969 -0.175 13.227 284 1HB LEU 38 2HB LEU 38 6.467 0.819 13.166 285 2HB LEU 38 3HB LEU 38 7.769 1.317 12.103 286 HG LEU 38 HG LEU 38 5.453 0.797 11.093 287 1HD1 LEU 38 1HD1 LEU 38 7.080 -0.724 9.333 288 2HD1 LEU 38 2HD1 LEU 38 6.648 1.000 9.239 289 3HD1 LEU 38 3HD1 LEU 38 8.120 0.498 10.105 290 1HD2 LEU 38 1HD2 LEU 38 4.617 -1.267 11.110 291 2HD2 LEU 38 2HD2 LEU 38 6.171 -1.989 10.629 292 3HD2 LEU 38 3HD2 LEU 38 5.842 -1.648 12.345 293 H THR 39 HN THR 39 6.784 0.476 14.931 294 HA THR 39 HA THR 39 6.086 -2.105 16.137 295 HB THR 39 HB THR 39 6.806 -1.153 18.356 296 HG1 THR 39 1HG THR 39 6.763 1.086 17.940 297 1HG2 THR 39 1HG2 THR 39 8.528 -2.487 17.190 298 2HG2 THR 39 2HG2 THR 39 8.950 -1.092 16.169 299 3HG2 THR 39 3HG2 THR 39 9.298 -1.055 17.914 300 H GLU 40 HN GLU 40 4.327 -1.920 17.764 301 HA GLU 40 HA GLU 40 2.127 -0.855 16.754 302 1HB GLU 40 2HB GLU 40 2.308 -2.345 18.780 303 2HB GLU 40 3HB GLU 40 2.739 -0.944 19.741 304 1HG GLU 40 2HG GLU 40 0.368 -0.258 18.265 305 2HG GLU 40 3HG GLU 40 0.103 -1.848 18.952 306 H GLY 41 HN GLY 41 1.167 1.140 16.481 307 1HA GLY 41 1HA GLY 41 0.891 3.315 17.786 308 2HA GLY 41 2HA GLY 41 2.628 3.450 17.591 309 H LEU 42 HN LEU 42 1.231 5.506 16.541 310 HA LEU 42 HA LEU 42 0.273 5.110 13.935 311 1HB LEU 42 2HB LEU 42 1.111 7.451 15.594 312 2HB LEU 42 3HB LEU 42 0.865 7.677 13.873 313 HG LEU 42 HG LEU 42 -1.444 6.470 14.371 314 1HD1 LEU 42 1HD1 LEU 42 -0.698 6.125 16.802 315 2HD1 LEU 42 2HD1 LEU 42 -1.042 7.859 17.016 316 3HD1 LEU 42 3HD1 LEU 42 -2.340 6.749 16.513 317 1HD2 LEU 42 1HD2 LEU 42 -0.583 9.120 14.000 318 2HD2 LEU 42 2HD2 LEU 42 -2.220 8.459 13.768 319 3HD2 LEU 42 3HD2 LEU 42 -1.761 9.171 15.334 320 H HIS 43 HN HIS 43 1.303 6.057 11.923 321 HA HIS 43 HA HIS 43 4.164 6.193 11.962 322 1HB HIS 43 2HB HIS 43 2.758 3.903 10.561 323 2HB HIS 43 3HB HIS 43 4.419 4.373 10.255 324 HD1 HIS 43 HD1 HIS 43 5.753 4.622 12.872 325 HD2 HIS 43 HD2 HIS 43 2.750 1.763 12.235 326 HE1 HIS 43 HE1 HIS 43 6.090 2.824 14.650 327 H GLY 44 HN GLY 44 4.804 7.679 10.462 328 1HA GLY 44 1HA GLY 44 3.225 9.367 9.138 329 2HA GLY 44 2HA GLY 44 4.791 8.873 8.526 330 H PHE 45 HN PHE 45 2.425 9.628 6.948 331 HA PHE 45 HA PHE 45 1.409 7.139 5.902 332 1HB PHE 45 2HB PHE 45 0.382 9.644 6.225 333 2HB PHE 45 3HB PHE 45 1.086 9.889 4.640 334 HD1 PHE 45 1HD PHE 45 -1.314 7.773 6.512 335 HD2 PHE 45 2HD PHE 45 -0.008 9.119 2.705 336 HE1 PHE 45 1HE PHE 45 -3.341 6.740 5.451 337 HE2 PHE 45 2HE PHE 45 -2.034 8.085 1.644 338 HZ PHE 45 HZ PHE 45 -3.677 6.908 3.030 339 H HIS 46 HN HIS 46 1.552 6.578 3.586 340 HA HIS 46 HA HIS 46 4.201 6.723 2.686 341 1HB HIS 46 2HB HIS 46 3.378 5.519 0.732 342 2HB HIS 46 3HB HIS 46 2.760 4.825 2.218 343 HD1 HIS 46 HD1 HIS 46 1.670 5.875 -1.055 344 HD2 HIS 46 HD2 HIS 46 -0.039 5.851 2.776 345 HE1 HIS 46 HE1 HIS 46 -0.851 6.072 -1.395 346 H VAL 47 HN VAL 47 4.540 7.367 0.177 347 HA VAL 47 HA VAL 47 4.499 8.933 -1.411 348 HB VAL 47 HB VAL 47 2.449 10.556 0.061 349 1HG1 VAL 47 1HG1 VAL 47 3.440 10.260 -2.734 350 2HG1 VAL 47 2HG1 VAL 47 1.704 10.589 -2.521 351 3HG1 VAL 47 3HG1 VAL 47 2.911 11.711 -1.849 352 1HG2 VAL 47 1HG2 VAL 47 0.938 8.950 -1.585 353 2HG2 VAL 47 2HG2 VAL 47 2.125 7.801 -0.921 354 3HG2 VAL 47 3HG2 VAL 47 1.103 8.758 0.177 355 H HIS 48 HN HIS 48 6.625 9.531 -0.936 356 HA HIS 48 HA HIS 48 6.820 11.884 0.797 357 1HB HIS 48 2HB HIS 48 8.853 11.135 1.713 358 2HB HIS 48 3HB HIS 48 7.757 9.771 1.807 359 HD1 HIS 48 HD1 HIS 48 8.015 8.142 -0.557 360 HD2 HIS 48 HD2 HIS 48 11.299 10.364 0.810 361 HE1 HIS 48 HE1 HIS 48 10.087 7.050 -1.569 362 H GLU 49 HN GLU 49 6.226 12.617 -1.612 363 HA GLU 49 HA GLU 49 8.373 14.000 -2.536 364 1HB GLU 49 2HB GLU 49 8.623 11.304 -3.343 365 2HB GLU 49 3HB GLU 49 8.035 12.135 -4.769 366 1HG GLU 49 2HG GLU 49 9.865 13.851 -4.486 367 2HG GLU 49 3HG GLU 49 10.475 12.943 -3.117 368 H GLU 50 HN GLU 50 7.897 14.880 -4.913 369 HA GLU 50 HA GLU 50 5.424 16.015 -4.850 370 1HB GLU 50 2HB GLU 50 5.883 16.713 -7.185 371 2HB GLU 50 3HB GLU 50 7.299 16.903 -6.170 372 1HG GLU 50 2HG GLU 50 7.457 14.247 -7.171 373 2HG GLU 50 3HG GLU 50 6.937 15.217 -8.535 374 H GLU 51 HN GLU 51 4.056 15.791 -7.222 375 HA GLU 51 HA GLU 51 2.683 13.376 -6.814 376 1HB GLU 51 2HB GLU 51 1.190 14.161 -8.562 377 2HB GLU 51 3HB GLU 51 1.626 15.528 -7.556 378 1HG GLU 51 2HG GLU 51 3.370 14.976 -9.946 379 2HG GLU 51 3HG GLU 51 1.767 15.612 -10.259 380 H ASP 52 HN ASP 52 2.067 12.940 -9.747 381 HA ASP 52 HA ASP 52 3.592 10.808 -10.228 382 1HB ASP 52 2HB ASP 52 3.107 11.283 -12.721 383 2HB ASP 52 3HB ASP 52 1.724 11.178 -11.651 384 H ASN 53 HN ASN 53 5.867 10.897 -10.004 385 HA ASN 53 HA ASN 53 7.412 11.759 -12.041 386 1HB ASN 53 2HB ASN 53 6.809 13.933 -10.081 387 2HB ASN 53 3HB ASN 53 8.515 13.727 -10.420 388 1HD2 ASN 53 1HD2 ASN 53 8.818 13.143 -12.921 389 2HD2 ASN 53 2HD2 ASN 53 8.126 14.301 -14.007 390 H THR 54 HN THR 54 7.748 9.492 -10.887 391 HA THR 54 HA THR 54 10.143 9.699 -9.304 392 HB THR 54 HB THR 54 8.438 9.910 -7.535 393 HG1 THR 54 1HG THR 54 9.198 8.012 -6.426 394 1HG2 THR 54 1HG2 THR 54 6.512 8.825 -8.761 395 2HG2 THR 54 2HG2 THR 54 7.350 7.261 -8.624 396 3HG2 THR 54 3HG2 THR 54 6.789 8.101 -7.159 397 H ALA 55 HN ALA 55 7.538 7.626 -10.683 398 HA ALA 55 HA ALA 55 7.697 5.839 -11.994 399 1HB ALA 55 1HB ALA 55 9.860 7.170 -12.771 400 2HB ALA 55 2HB ALA 55 10.705 5.834 -11.952 401 3HB ALA 55 3HB ALA 55 9.586 5.491 -13.294 402 H GLY 56 HN GLY 56 10.495 5.798 -9.666 403 1HA GLY 56 1HA GLY 56 9.313 3.394 -8.447 404 2HA GLY 56 2HA GLY 56 10.967 3.345 -9.025 405 H CYS 57 HN CYS 57 12.570 4.877 -8.090 406 HA CYS 57 HA CYS 57 11.926 6.522 -5.934 407 1HB CYS 57 2HB CYS 57 11.907 3.827 -5.192 408 2HB CYS 57 3HB CYS 57 13.473 4.415 -4.668 409 H THR 58 HN THR 58 13.359 7.909 -7.092 410 HA THR 58 HA THR 58 16.138 6.956 -7.281 411 HB THR 58 HB THR 58 16.319 8.664 -9.092 412 HG1 THR 58 1HG THR 58 14.626 10.033 -8.018 413 1HG2 THR 58 1HG2 THR 58 13.945 7.754 -10.290 414 2HG2 THR 58 2HG2 THR 58 15.534 6.962 -10.417 415 3HG2 THR 58 3HG2 THR 58 14.375 6.438 -9.172 416 H SER 59 HN SER 59 17.063 7.435 -5.343 417 HA SER 59 HA SER 59 16.416 9.471 -3.703 418 1HB SER 59 2HB SER 59 19.094 8.139 -4.251 419 2HB SER 59 3HB SER 59 18.906 9.324 -2.974 420 HG SER 59 HG SER 59 17.718 6.721 -3.211 421 H ALA 60 HN ALA 60 15.968 11.484 -4.691 422 HA ALA 60 HA ALA 60 18.340 12.851 -5.745 423 1HB ALA 60 1HB ALA 60 16.253 12.005 -7.330 424 2HB ALA 60 2HB ALA 60 15.742 13.656 -6.905 425 3HB ALA 60 3HB ALA 60 17.314 13.386 -7.696 426 H GLY 61 HN GLY 61 14.860 13.499 -4.891 427 1HA GLY 61 1HA GLY 61 15.788 15.384 -2.841 428 2HA GLY 61 2HA GLY 61 14.766 15.986 -4.131 429 HA PRO 62 HA PRO 62 12.122 12.867 -1.743 430 1HB PRO 62 2HB PRO 62 13.179 11.463 0.350 431 2HB PRO 62 3HB PRO 62 13.083 10.827 -1.280 432 1HG PRO 62 2HG PRO 62 15.446 11.844 0.177 433 2HG PRO 62 3HG PRO 62 15.389 10.832 -1.252 434 1HD PRO 62 2HD PRO 62 15.980 13.637 -1.158 435 2HD PRO 62 3HD PRO 62 15.809 12.649 -2.596 436 H HIS 63 HN HIS 63 12.189 15.459 -1.350 437 HA HIS 63 HA HIS 63 11.772 15.635 1.547 438 1HB HIS 63 2HB HIS 63 12.498 17.930 1.478 439 2HB HIS 63 3HB HIS 63 13.747 16.900 0.809 440 HD1 HIS 63 HD1 HIS 63 14.113 17.000 -1.826 441 HD2 HIS 63 HD2 HIS 63 11.447 19.842 -0.272 442 HE1 HIS 63 HE1 HIS 63 13.793 18.753 -3.652 443 H PHE 64 HN PHE 64 9.566 15.253 1.646 444 HA PHE 64 HA PHE 64 7.637 15.743 -0.102 445 1HB PHE 64 2HB PHE 64 7.851 15.142 2.587 446 2HB PHE 64 3HB PHE 64 7.176 16.754 2.712 447 HD1 PHE 64 1HD PHE 64 6.488 14.026 0.260 448 HD2 PHE 64 2HD PHE 64 4.967 16.503 3.352 449 HE1 PHE 64 1HE PHE 64 4.189 13.093 -0.123 450 HE2 PHE 64 2HE PHE 64 2.669 15.570 2.969 451 HZ PHE 64 HZ PHE 64 2.307 13.876 1.236 452 H ASN 65 HN ASN 65 5.968 17.470 -0.349 453 HA ASN 65 HA ASN 65 7.303 19.977 -0.601 454 1HB ASN 65 2HB ASN 65 4.991 20.662 -1.559 455 2HB ASN 65 3HB ASN 65 5.852 19.409 -2.432 456 1HD2 ASN 65 1HD2 ASN 65 2.950 20.298 -1.196 457 2HD2 ASN 65 2HD2 ASN 65 2.164 18.764 -1.026 458 HA PRO 66 HA PRO 66 5.585 21.310 3.252 459 1HB PRO 66 2HB PRO 66 6.719 23.795 3.330 460 2HB PRO 66 3HB PRO 66 7.543 22.347 3.876 461 1HG PRO 66 2HG PRO 66 7.960 23.892 1.390 462 2HG PRO 66 3HG PRO 66 9.025 22.726 2.149 463 1HD PRO 66 2HD PRO 66 7.376 22.296 -0.158 464 2HD PRO 66 3HD PRO 66 8.352 21.099 0.670 465 H LEU 67 HN LEU 67 3.685 21.142 1.435 466 HA LEU 67 HA LEU 67 2.635 23.843 1.140 467 1HB LEU 67 2HB LEU 67 2.737 22.327 -0.802 468 2HB LEU 67 3HB LEU 67 1.669 21.208 0.021 469 HG LEU 67 HG LEU 67 0.787 24.046 -0.438 470 1HD1 LEU 67 1HD1 LEU 67 0.663 23.867 -2.644 471 2HD1 LEU 67 2HD1 LEU 67 1.585 22.348 -2.539 472 3HD1 LEU 67 3HD1 LEU 67 -0.195 22.312 -2.517 473 1HD2 LEU 67 1HD2 LEU 67 -1.366 22.409 -0.819 474 2HD2 LEU 67 2HD2 LEU 67 -0.428 21.495 0.387 475 3HD2 LEU 67 3HD2 LEU 67 -0.919 23.173 0.725 476 H SER 68 HN SER 68 1.839 20.629 2.586 477 HA SER 68 HA SER 68 -0.233 22.018 4.094 478 1HB SER 68 2HB SER 68 -0.098 19.378 2.797 479 2HB SER 68 3HB SER 68 -0.607 19.261 4.470 480 HG SER 68 HG SER 68 -2.014 20.172 2.285 481 H ARG 69 HN ARG 69 2.456 19.604 4.250 482 HA ARG 69 HA ARG 69 2.291 19.338 7.033 483 1HB ARG 69 2HB ARG 69 4.550 18.226 6.774 484 2HB ARG 69 3HB ARG 69 3.333 17.582 5.690 485 1HG ARG 69 2HG ARG 69 4.388 18.377 3.808 486 2HG ARG 69 3HG ARG 69 4.836 19.890 4.571 487 1HD ARG 69 2HD ARG 69 6.564 18.488 5.937 488 2HD ARG 69 3HD ARG 69 6.258 17.205 4.783 489 HE ARG 69 HE ARG 69 6.759 19.358 3.141 490 1HH1 ARG 69 2HH2 ARG 69 8.497 17.975 5.870 491 2HH1 ARG 69 1HH2 ARG 69 10.054 18.467 5.292 492 1HH2 ARG 69 2HH1 ARG 69 8.813 20.007 2.377 493 2HH2 ARG 69 1HH1 ARG 69 10.235 19.631 3.292 494 H LYS 70 HN LYS 70 2.150 21.904 7.182 495 HA LYS 70 HA LYS 70 4.759 22.770 8.070 496 1HB LYS 70 2HB LYS 70 4.828 24.783 6.765 497 2HB LYS 70 3HB LYS 70 4.705 23.416 5.675 498 1HG LYS 70 2HG LYS 70 2.843 24.323 4.761 499 2HG LYS 70 3HG LYS 70 2.019 24.169 6.300 500 1HD LYS 70 2HD LYS 70 2.288 26.394 6.827 501 2HD LYS 70 3HD LYS 70 3.905 26.468 6.156 502 1HE LYS 70 2HE LYS 70 2.600 26.192 3.828 503 2HE LYS 70 3HE LYS 70 1.252 26.820 4.754 504 1HZ LYS 70 1HZ LYS 70 3.858 28.149 4.789 505 2HZ LYS 70 2HZ LYS 70 2.756 28.468 3.627 506 3HZ LYS 70 3HZ LYS 70 2.402 28.767 5.193 507 H HIS 71 HN HIS 71 2.980 22.054 9.841 508 HA HIS 71 HA HIS 71 1.787 22.713 11.559 509 1HB HIS 71 2HB HIS 71 3.162 24.342 12.312 510 2HB HIS 71 3HB HIS 71 3.213 25.177 10.772 511 HD1 HIS 71 HD1 HIS 71 2.120 25.741 14.084 512 HD2 HIS 71 HD2 HIS 71 0.403 26.451 10.323 513 HE1 HIS 71 HE1 HIS 71 0.331 27.525 14.440 514 H GLY 72 HN GLY 72 -0.407 22.897 11.917 515 1HA GLY 72 1HA GLY 72 -2.214 24.652 11.018 516 2HA GLY 72 2HA GLY 72 -2.026 23.615 9.618 517 H GLY 73 HN GLY 73 -3.764 22.250 9.537 518 1HA GLY 73 1HA GLY 73 -4.465 20.833 12.040 519 2HA GLY 73 2HA GLY 73 -5.663 21.424 10.905 520 HA PRO 74 HA PRO 74 -3.692 17.344 9.537 521 1HB PRO 74 2HB PRO 74 -4.405 15.410 11.332 522 2HB PRO 74 3HB PRO 74 -2.825 16.167 11.316 523 1HG PRO 74 2HG PRO 74 -5.071 16.604 13.188 524 2HG PRO 74 3HG PRO 74 -3.378 17.011 13.390 525 1HD PRO 74 2HD PRO 74 -5.513 18.817 12.750 526 2HD PRO 74 3HD PRO 74 -3.805 19.202 12.839 527 H LYS 75 HN LYS 75 -5.395 18.170 8.078 528 HA LYS 75 HA LYS 75 -7.218 16.102 7.621 529 1HB LYS 75 2HB LYS 75 -8.099 17.994 9.589 530 2HB LYS 75 3HB LYS 75 -9.071 18.203 8.147 531 1HG LYS 75 2HG LYS 75 -10.030 16.109 8.315 532 2HG LYS 75 3HG LYS 75 -8.559 15.362 8.906 533 1HD LYS 75 2HD LYS 75 -9.113 15.703 11.106 534 2HD LYS 75 3HD LYS 75 -9.713 17.322 10.808 535 1HE LYS 75 2HE LYS 75 -11.846 16.556 10.882 536 2HE LYS 75 3HE LYS 75 -11.529 15.515 9.508 537 1HZ LYS 75 1HZ LYS 75 -10.547 13.938 11.143 538 2HZ LYS 75 2HZ LYS 75 -11.149 14.869 12.342 539 3HZ LYS 75 3HZ LYS 75 -12.161 14.151 11.280 540 H ASP 76 HN ASP 76 -6.329 19.562 7.295 541 HA ASP 76 HA ASP 76 -6.453 19.210 4.458 542 1HB ASP 76 2HB ASP 76 -8.305 21.027 6.007 543 2HB ASP 76 3HB ASP 76 -7.709 21.586 4.457 544 H GLU 77 HN GLU 77 -6.038 21.367 7.335 545 HA GLU 77 HA GLU 77 -4.246 23.069 5.900 546 1HB GLU 77 2HB GLU 77 -5.521 23.029 8.609 547 2HB GLU 77 3HB GLU 77 -3.987 23.869 8.490 548 1HG GLU 77 2HG GLU 77 -4.849 25.290 6.668 549 2HG GLU 77 3HG GLU 77 -6.347 24.382 6.619 550 H GLU 78 HN GLU 78 -3.812 20.016 6.674 551 HA GLU 78 HA GLU 78 -1.028 20.336 7.031 552 1HB GLU 78 2HB GLU 78 -1.959 20.550 9.407 553 2HB GLU 78 3HB GLU 78 -2.494 18.887 9.274 554 1HG GLU 78 2HG GLU 78 -0.423 18.190 9.868 555 2HG GLU 78 3HG GLU 78 0.223 18.897 8.401 556 H ARG 79 HN ARG 79 0.124 18.390 6.487 557 HA ARG 79 HA ARG 79 0.181 16.757 4.956 558 1HB ARG 79 2HB ARG 79 -0.168 14.580 6.126 559 2HB ARG 79 3HB ARG 79 0.623 15.742 7.172 560 1HG ARG 79 2HG ARG 79 -2.120 16.202 7.620 561 2HG ARG 79 3HG ARG 79 -2.013 14.460 7.463 562 1HD ARG 79 2HD ARG 79 0.140 15.670 9.132 563 2HD ARG 79 3HD ARG 79 -1.473 15.867 9.787 564 HE ARG 79 HE ARG 79 0.013 13.368 9.556 565 1HH1 ARG 79 2HH2 ARG 79 -3.219 14.753 9.691 566 2HH1 ARG 79 1HH2 ARG 79 -3.954 13.302 10.288 567 1HH2 ARG 79 2HH1 ARG 79 -0.956 11.454 10.342 568 2HH2 ARG 79 1HH1 ARG 79 -2.659 11.413 10.660 569 H HIS 80 HN HIS 80 -1.648 17.833 3.603 570 HA HIS 80 HA HIS 80 -3.891 15.953 3.489 571 1HB HIS 80 2HB HIS 80 -4.760 17.977 4.416 572 2HB HIS 80 3HB HIS 80 -3.930 18.965 3.231 573 HD1 HIS 80 HD1 HIS 80 -6.680 16.297 3.323 574 HD2 HIS 80 HD2 HIS 80 -5.451 19.594 1.040 575 HE1 HIS 80 HE1 HIS 80 -8.491 16.662 1.563 576 H VAL 81 HN VAL 81 -1.067 16.800 2.090 577 HA VAL 81 HA VAL 81 -2.132 16.265 -0.591 578 HB VAL 81 HB VAL 81 -0.069 18.298 0.254 579 1HG1 VAL 81 1HG1 VAL 81 0.762 16.965 -1.677 580 2HG1 VAL 81 2HG1 VAL 81 -0.702 17.419 -2.582 581 3HG1 VAL 81 3HG1 VAL 81 0.459 18.672 -2.081 582 1HG2 VAL 81 1HG2 VAL 81 -2.272 18.892 -1.666 583 2HG2 VAL 81 2HG2 VAL 81 -2.718 18.650 0.040 584 3HG2 VAL 81 3HG2 VAL 81 -1.543 19.912 -0.402 585 H GLY 82 HN GLY 82 -1.678 14.027 -0.348 586 1HA GLY 82 1HA GLY 82 -0.049 12.495 -1.172 587 2HA GLY 82 2HA GLY 82 1.211 13.425 -0.383 588 H ASP 83 HN ASP 83 0.321 13.847 2.188 589 HA ASP 83 HA ASP 83 0.581 11.225 3.240 590 1HB ASP 83 2HB ASP 83 0.491 14.035 4.326 591 2HB ASP 83 3HB ASP 83 0.153 12.731 5.447 592 H LEU 84 HN LEU 84 -1.715 13.967 3.990 593 HA LEU 84 HA LEU 84 -3.958 13.966 4.076 594 1HB LEU 84 2HB LEU 84 -3.597 11.707 2.614 595 2HB LEU 84 3HB LEU 84 -4.355 11.041 4.046 596 HG LEU 84 HG LEU 84 -5.741 13.426 3.072 597 1HD1 LEU 84 1HD1 LEU 84 -5.377 11.084 1.195 598 2HD1 LEU 84 2HD1 LEU 84 -6.739 12.224 1.086 599 3HD1 LEU 84 3HD1 LEU 84 -5.070 12.809 0.884 600 1HD2 LEU 84 1HD2 LEU 84 -6.774 12.039 4.706 601 2HD2 LEU 84 2HD2 LEU 84 -7.686 11.833 3.192 602 3HD2 LEU 84 3HD2 LEU 84 -6.537 10.579 3.716 603 H GLY 85 HN GLY 85 -2.905 10.863 5.657 604 1HA GLY 85 1HA GLY 85 -3.367 12.113 8.269 605 2HA GLY 85 2HA GLY 85 -4.324 10.707 7.845 606 H ASN 86 HN ASN 86 -3.459 9.186 9.271 607 HA ASN 86 HA ASN 86 -0.769 8.376 8.612 608 1HB ASN 86 2HB ASN 86 -1.571 9.626 11.152 609 2HB ASN 86 3HB ASN 86 -0.964 8.005 11.428 610 1HD2 ASN 86 1HD2 ASN 86 1.081 7.973 11.916 611 2HD2 ASN 86 2HD2 ASN 86 2.340 8.971 11.267 612 H VAL 87 HN VAL 87 -0.351 6.143 9.892 613 HA VAL 87 HA VAL 87 -2.909 4.715 10.110 614 HB VAL 87 HB VAL 87 -1.850 2.797 9.036 615 1HG1 VAL 87 1HG1 VAL 87 -3.110 4.021 7.509 616 2HG1 VAL 87 2HG1 VAL 87 -2.005 5.416 7.555 617 3HG1 VAL 87 3HG1 VAL 87 -1.523 3.926 6.708 618 1HG2 VAL 87 1HG2 VAL 87 0.346 2.614 8.659 619 2HG2 VAL 87 2HG2 VAL 87 0.405 4.186 7.826 620 3HG2 VAL 87 3HG2 VAL 87 0.552 4.112 9.598 621 H THR 88 HN THR 88 -2.793 2.767 11.510 622 HA THR 88 HA THR 88 -0.727 3.135 13.578 623 HB THR 88 HB THR 88 -3.667 2.313 13.664 624 HG1 THR 88 1HG THR 88 -3.588 4.199 15.090 625 1HG2 THR 88 1HG2 THR 88 -1.430 1.720 15.574 626 2HG2 THR 88 2HG2 THR 88 -2.883 2.459 16.287 627 3HG2 THR 88 3HG2 THR 88 -3.010 0.919 15.403 628 H ALA 89 HN ALA 89 0.274 1.310 14.511 629 HA ALA 89 HA ALA 89 0.464 -0.880 12.639 630 1HB ALA 89 1HB ALA 89 2.200 -1.579 14.493 631 2HB ALA 89 2HB ALA 89 2.561 -0.214 13.409 632 3HB ALA 89 3HB ALA 89 1.973 0.093 15.061 633 H ASP 90 HN ASP 90 0.572 -3.184 13.649 634 HA ASP 90 HA ASP 90 -1.948 -3.631 14.800 635 1HB ASP 90 2HB ASP 90 -1.027 -5.300 13.318 636 2HB ASP 90 3HB ASP 90 0.469 -5.388 14.226 637 H LYS 91 HN LYS 91 0.719 -5.573 16.076 638 HA LYS 91 HA LYS 91 0.617 -4.143 18.625 639 1HB LYS 91 2HB LYS 91 0.195 -6.107 19.880 640 2HB LYS 91 3HB LYS 91 -1.022 -6.053 18.622 641 1HG LYS 91 2HG LYS 91 0.211 -7.687 17.268 642 2HG LYS 91 3HG LYS 91 1.573 -7.640 18.369 643 1HD LYS 91 2HD LYS 91 -0.065 -8.428 20.211 644 2HD LYS 91 3HD LYS 91 -1.216 -8.736 18.926 645 1HE LYS 91 2HE LYS 91 0.844 -10.066 17.839 646 2HE LYS 91 3HE LYS 91 1.408 -10.124 19.497 647 1HZ LYS 91 1HZ LYS 91 -1.050 -11.238 18.388 648 2HZ LYS 91 2HZ LYS 91 0.095 -11.977 19.289 649 3HZ LYS 91 3HZ LYS 91 -0.941 -10.925 19.988 650 H ASP 92 HN ASP 92 2.422 -4.945 16.058 651 HA ASP 92 HA ASP 92 4.781 -5.074 17.698 652 1HB ASP 92 2HB ASP 92 3.755 -7.385 16.389 653 2HB ASP 92 3HB ASP 92 5.089 -6.846 15.388 654 H GLY 93 HN GLY 93 3.169 -3.288 15.711 655 1HA GLY 93 1HA GLY 93 4.190 -1.534 14.503 656 2HA GLY 93 2HA GLY 93 5.455 -2.627 13.977 657 H VAL 94 HN VAL 94 4.012 -4.878 13.096 658 HA VAL 94 HA VAL 94 3.485 -4.429 10.538 659 HB VAL 94 HB VAL 94 2.066 -6.283 12.452 660 1HG1 VAL 94 1HG1 VAL 94 1.133 -7.489 10.664 661 2HG1 VAL 94 2HG1 VAL 94 0.812 -5.786 10.258 662 3HG1 VAL 94 3HG1 VAL 94 2.140 -6.657 9.455 663 1HG2 VAL 94 1HG2 VAL 94 4.695 -6.241 11.611 664 2HG2 VAL 94 2HG2 VAL 94 3.826 -7.661 12.238 665 3HG2 VAL 94 3HG2 VAL 94 3.940 -7.392 10.483 666 H ALA 95 HN ALA 95 2.332 -2.862 9.540 667 HA ALA 95 HA ALA 95 -0.301 -2.236 10.692 668 1HB ALA 95 1HB ALA 95 0.019 0.032 9.783 669 2HB ALA 95 2HB ALA 95 1.338 -0.394 10.901 670 3HB ALA 95 3HB ALA 95 1.611 -0.442 9.143 671 H ASP 96 HN ASP 96 -2.011 -2.788 9.438 672 HA ASP 96 HA ASP 96 -1.400 -3.351 6.649 673 1HB ASP 96 2HB ASP 96 -2.281 -5.307 7.725 674 2HB ASP 96 3HB ASP 96 -3.500 -4.388 8.585 675 H VAL 97 HN VAL 97 -2.858 -2.473 5.007 676 HA VAL 97 HA VAL 97 -4.696 -0.421 6.036 677 HB VAL 97 HB VAL 97 -3.046 -0.324 3.504 678 1HG1 VAL 97 1HG1 VAL 97 -5.157 0.923 3.373 679 2HG1 VAL 97 2HG1 VAL 97 -4.743 1.793 4.870 680 3HG1 VAL 97 3HG1 VAL 97 -3.759 2.024 3.405 681 1HG2 VAL 97 1HG2 VAL 97 -2.436 0.485 6.286 682 2HG2 VAL 97 2HG2 VAL 97 -1.345 0.106 4.932 683 3HG2 VAL 97 3HG2 VAL 97 -2.101 1.714 5.042 684 H SER 98 HN SER 98 -6.534 0.063 4.521 685 HA SER 98 HA SER 98 -7.068 -1.795 2.474 686 1HB SER 98 2HB SER 98 -7.548 -3.142 4.594 687 2HB SER 98 3HB SER 98 -8.842 -2.014 4.942 688 HG SER 98 HG SER 98 -9.464 -2.622 2.538 689 H ILE 99 HN ILE 99 -7.564 0.002 1.173 690 HA ILE 99 HA ILE 99 -9.873 1.574 2.082 691 HB ILE 99 HB ILE 99 -7.535 2.538 0.431 692 1HG1 ILE 99 2HG1 ILE 99 -7.983 3.824 3.016 693 2HG1 ILE 99 3HG1 ILE 99 -7.612 2.120 3.184 694 1HG2 ILE 99 1HG2 ILE 99 -9.740 4.208 1.640 695 2HG2 ILE 99 2HG2 ILE 99 -8.534 4.666 0.414 696 3HG2 ILE 99 3HG2 ILE 99 -9.842 3.534 -0.005 697 1HD1 ILE 99 1HD1 ILE 99 -5.497 3.257 3.171 698 2HD1 ILE 99 2HD1 ILE 99 -5.649 2.505 1.565 699 3HD1 ILE 99 3HD1 ILE 99 -5.958 4.246 1.765 700 H GLU 100 HN GLU 100 -11.425 2.147 0.458 701 HA GLU 100 HA GLU 100 -11.054 0.676 -2.029 702 1HB GLU 100 2HB GLU 100 -12.591 -0.546 -0.445 703 2HB GLU 100 3HB GLU 100 -13.660 0.842 -0.453 704 1HG GLU 100 2HG GLU 100 -13.474 0.514 -3.125 705 2HG GLU 100 3HG GLU 100 -13.090 -1.131 -2.659 706 H ASP 101 HN ASP 101 -10.513 2.562 -3.208 707 HA ASP 101 HA ASP 101 -12.502 4.676 -3.113 708 1HB ASP 101 2HB ASP 101 -9.669 4.585 -4.250 709 2HB ASP 101 3HB ASP 101 -10.729 5.971 -4.413 710 H SER 102 HN SER 102 -13.406 5.465 -5.175 711 HA SER 102 HA SER 102 -13.050 3.531 -7.331 712 1HB SER 102 2HB SER 102 -15.433 4.605 -7.969 713 2HB SER 102 3HB SER 102 -15.289 3.236 -6.884 714 HG SER 102 HG SER 102 -16.252 5.750 -6.365 715 H VAL 103 HN VAL 103 -13.378 6.964 -6.356 716 HA VAL 103 HA VAL 103 -13.492 8.153 -8.835 717 HB VAL 103 HB VAL 103 -12.193 9.018 -6.248 718 1HG1 VAL 103 1HG1 VAL 103 -12.028 11.236 -7.065 719 2HG1 VAL 103 2HG1 VAL 103 -11.323 10.205 -8.334 720 3HG1 VAL 103 3HG1 VAL 103 -12.969 10.854 -8.527 721 1HG2 VAL 103 1HG2 VAL 103 -14.211 9.955 -5.651 722 2HG2 VAL 103 2HG2 VAL 103 -14.754 10.136 -7.337 723 3HG2 VAL 103 3HG2 VAL 103 -14.773 8.533 -6.563 724 H ILE 104 HN ILE 104 -10.606 7.109 -6.911 725 HA ILE 104 HA ILE 104 -8.739 8.015 -8.799 726 HB ILE 104 HB ILE 104 -7.190 6.503 -7.571 727 1HG1 ILE 104 2HG1 ILE 104 -8.269 5.605 -5.362 728 2HG1 ILE 104 3HG1 ILE 104 -9.764 5.635 -6.277 729 1HG2 ILE 104 1HG2 ILE 104 -8.889 8.234 -5.758 730 2HG2 ILE 104 2HG2 ILE 104 -7.171 7.811 -5.564 731 3HG2 ILE 104 3HG2 ILE 104 -7.683 8.859 -6.909 732 1HD1 ILE 104 1HD1 ILE 104 -7.228 4.273 -7.284 733 2HD1 ILE 104 2HD1 ILE 104 -8.505 3.429 -6.377 734 3HD1 ILE 104 3HD1 ILE 104 -8.866 4.142 -7.968 735 H SER 105 HN SER 105 -7.134 6.320 -9.853 736 HA SER 105 HA SER 105 -8.413 3.943 -10.731 737 1HB SER 105 2HB SER 105 -8.947 6.257 -12.238 738 2HB SER 105 3HB SER 105 -7.659 5.471 -13.129 739 HG SER 105 HG SER 105 -9.808 3.838 -12.205 740 H LEU 106 HN LEU 106 -6.897 2.771 -12.387 741 HA LEU 106 HA LEU 106 -4.233 3.014 -11.363 742 1HB LEU 106 2HB LEU 106 -5.683 1.138 -13.195 743 2HB LEU 106 3HB LEU 106 -3.931 1.121 -13.137 744 HG LEU 106 HG LEU 106 -4.619 1.030 -10.458 745 1HD1 LEU 106 1HD1 LEU 106 -6.521 -0.096 -10.059 746 2HD1 LEU 106 2HD1 LEU 106 -7.003 0.514 -11.660 747 3HD1 LEU 106 3HD1 LEU 106 -6.340 -1.129 -11.497 748 1HD2 LEU 106 1HD2 LEU 106 -2.948 -0.297 -11.958 749 2HD2 LEU 106 2HD2 LEU 106 -3.566 -1.023 -10.455 750 3HD2 LEU 106 3HD2 LEU 106 -4.254 -1.504 -12.025 751 H SER 107 HN SER 107 -6.012 3.803 -14.370 752 HA SER 107 HA SER 107 -3.788 5.474 -15.093 753 1HB SER 107 2HB SER 107 -4.369 2.938 -16.431 754 2HB SER 107 3HB SER 107 -4.520 4.276 -17.553 755 HG SER 107 HG SER 107 -2.223 3.594 -15.930 756 H GLY 108 HN GLY 108 -4.689 7.445 -15.558 757 1HA GLY 108 1HA GLY 108 -6.649 7.920 -17.441 758 2HA GLY 108 2HA GLY 108 -7.498 7.738 -15.919 759 H ASP 109 HN ASP 109 -7.882 9.645 -14.893 760 HA ASP 109 HA ASP 109 -6.167 11.861 -15.539 761 1HB ASP 109 2HB ASP 109 -8.924 11.462 -14.629 762 2HB ASP 109 3HB ASP 109 -8.115 12.648 -13.624 763 H HIS 110 HN HIS 110 -7.078 9.656 -12.879 764 HA HIS 110 HA HIS 110 -5.620 11.218 -10.936 765 1HB HIS 110 2HB HIS 110 -7.505 8.919 -10.894 766 2HB HIS 110 3HB HIS 110 -6.301 8.956 -9.621 767 HD1 HIS 110 HD1 HIS 110 -9.484 10.509 -10.698 768 HD2 HIS 110 HD2 HIS 110 -6.443 11.323 -7.926 769 HE1 HIS 110 HE1 HIS 110 -10.433 12.243 -9.085 770 H SER 111 HN SER 111 -5.530 7.790 -12.161 771 HA SER 111 HA SER 111 -3.897 6.380 -12.393 772 1HB SER 111 2HB SER 111 -2.027 7.076 -13.583 773 2HB SER 111 3HB SER 111 -3.076 8.460 -13.817 774 HG SER 111 HG SER 111 -0.963 8.206 -11.851 775 H ILE 112 HN ILE 112 -3.608 5.263 -10.475 776 HA ILE 112 HA ILE 112 -2.143 6.614 -8.341 777 HB ILE 112 HB ILE 112 -2.982 4.825 -6.920 778 1HG1 ILE 112 2HG1 ILE 112 -4.445 3.793 -9.367 779 2HG1 ILE 112 3HG1 ILE 112 -3.016 3.051 -8.676 780 1HG2 ILE 112 1HG2 ILE 112 -4.351 6.967 -7.821 781 2HG2 ILE 112 2HG2 ILE 112 -5.466 5.665 -8.299 782 3HG2 ILE 112 3HG2 ILE 112 -4.974 5.834 -6.597 783 1HD1 ILE 112 1HD1 ILE 112 -4.675 3.371 -6.449 784 2HD1 ILE 112 2HD1 ILE 112 -5.810 2.944 -7.752 785 3HD1 ILE 112 3HD1 ILE 112 -4.448 1.864 -7.369 786 H ILE 113 HN ILE 113 -1.764 4.356 -10.936 787 HA ILE 113 HA ILE 113 0.123 2.630 -9.834 788 HB ILE 113 HB ILE 113 -0.486 3.562 -12.626 789 1HG1 ILE 113 2HG1 ILE 113 -2.086 2.086 -11.364 790 2HG1 ILE 113 3HG1 ILE 113 -1.518 1.446 -12.893 791 1HG2 ILE 113 1HG2 ILE 113 1.847 1.986 -11.668 792 2HG2 ILE 113 2HG2 ILE 113 1.001 1.393 -13.117 793 3HG2 ILE 113 3HG2 ILE 113 1.671 3.042 -13.091 794 1HD1 ILE 113 1HD1 ILE 113 -1.144 0.386 -10.180 795 2HD1 ILE 113 2HD1 ILE 113 -0.937 -0.427 -11.750 796 3HD1 ILE 113 3HD1 ILE 113 0.398 0.526 -11.059 797 H GLY 114 HN GLY 114 2.067 3.064 -8.957 798 1HA GLY 114 1HA GLY 114 4.292 3.846 -9.349 799 2HA GLY 114 2HA GLY 114 3.639 5.262 -10.148 800 H ARG 115 HN ARG 115 2.082 3.995 -7.217 801 HA ARG 115 HA ARG 115 2.691 6.479 -5.937 802 1HB ARG 115 2HB ARG 115 0.612 4.454 -5.771 803 2HB ARG 115 3HB ARG 115 1.279 4.698 -4.169 804 1HG ARG 115 2HG ARG 115 0.821 7.085 -4.244 805 2HG ARG 115 3HG ARG 115 0.435 7.023 -5.952 806 1HD ARG 115 2HD ARG 115 -1.543 5.572 -5.458 807 2HD ARG 115 3HD ARG 115 -1.153 5.615 -3.750 808 HE ARG 115 HE ARG 115 -1.454 8.268 -4.991 809 1HH1 ARG 115 2HH2 ARG 115 -3.060 5.643 -3.284 810 2HH1 ARG 115 1HH2 ARG 115 -4.360 6.637 -2.717 811 1HH2 ARG 115 2HH1 ARG 115 -3.169 9.580 -4.243 812 2HH2 ARG 115 1HH1 ARG 115 -4.422 8.891 -3.266 813 H THR 116 HN THR 116 5.063 6.023 -5.718 814 HA THR 116 HA THR 116 6.210 3.881 -4.492 815 HB THR 116 HB THR 116 6.877 6.866 -4.337 816 HG1 THR 116 1HG THR 116 6.996 6.117 -6.474 817 1HG2 THR 116 1HG2 THR 116 8.619 6.239 -2.985 818 2HG2 THR 116 2HG2 THR 116 8.206 4.516 -3.156 819 3HG2 THR 116 3HG2 THR 116 9.233 5.310 -4.374 820 H LEU 117 HN LEU 117 5.048 2.883 -2.862 821 HA LEU 117 HA LEU 117 4.047 4.349 -0.659 822 1HB LEU 117 2HB LEU 117 3.712 1.826 -1.740 823 2HB LEU 117 3HB LEU 117 4.538 1.503 -0.228 824 HG LEU 117 HG LEU 117 2.394 3.408 0.188 825 1HD1 LEU 117 1HD1 LEU 117 0.706 1.320 -0.197 826 2HD1 LEU 117 2HD1 LEU 117 0.942 2.652 -1.354 827 3HD1 LEU 117 3HD1 LEU 117 1.809 1.114 -1.579 828 1HD2 LEU 117 1HD2 LEU 117 2.071 0.746 1.345 829 2HD2 LEU 117 2HD2 LEU 117 3.702 1.416 1.592 830 3HD2 LEU 117 3HD2 LEU 117 2.273 2.329 2.135 831 H VAL 118 HN VAL 118 4.859 4.560 1.462 832 HA VAL 118 HA VAL 118 7.397 3.411 2.118 833 HB VAL 118 HB VAL 118 8.176 5.222 0.742 834 1HG1 VAL 118 1HG1 VAL 118 7.631 7.629 1.718 835 2HG1 VAL 118 2HG1 VAL 118 6.558 6.840 0.537 836 3HG1 VAL 118 3HG1 VAL 118 6.149 6.812 2.269 837 1HG2 VAL 118 1HG2 VAL 118 9.292 4.668 2.972 838 2HG2 VAL 118 2HG2 VAL 118 9.683 6.247 2.251 839 3HG2 VAL 118 3HG2 VAL 118 8.529 6.147 3.602 840 H VAL 119 HN VAL 119 8.063 4.196 4.400 841 HA VAL 119 HA VAL 119 5.719 5.091 5.901 842 HB VAL 119 HB VAL 119 6.465 3.312 7.625 843 1HG1 VAL 119 1HG1 VAL 119 5.176 1.587 5.852 844 2HG1 VAL 119 2HG1 VAL 119 4.403 2.683 7.023 845 3HG1 VAL 119 3HG1 VAL 119 4.655 3.211 5.341 846 1HG2 VAL 119 1HG2 VAL 119 8.443 2.773 5.859 847 2HG2 VAL 119 2HG2 VAL 119 7.800 1.582 7.016 848 3HG2 VAL 119 3HG2 VAL 119 7.226 1.587 5.331 849 H HIS 120 HN HIS 120 6.333 5.851 8.127 850 HA HIS 120 HA HIS 120 8.857 7.243 7.915 851 1HB HIS 120 2HB HIS 120 6.282 7.680 9.205 852 2HB HIS 120 3HB HIS 120 7.608 7.951 10.317 853 HD1 HIS 120 HD1 HIS 120 8.911 10.116 10.081 854 HD2 HIS 120 HD2 HIS 120 6.408 9.354 6.802 855 HE1 HIS 120 HE1 HIS 120 8.953 12.224 8.644 856 H GLU 121 HN GLU 121 9.488 7.565 10.661 857 HA GLU 121 HA GLU 121 10.351 4.844 11.228 858 1HB GLU 121 2HB GLU 121 11.979 6.897 10.834 859 2HB GLU 121 3HB GLU 121 11.582 7.301 12.492 860 1HG GLU 121 2HG GLU 121 12.108 4.515 12.539 861 2HG GLU 121 3HG GLU 121 13.330 5.180 11.472 862 H LYS 122 HN LYS 122 8.868 7.810 12.613 863 HA LYS 122 HA LYS 122 8.032 6.164 14.897 864 1HB LYS 122 2HB LYS 122 9.610 8.577 14.891 865 2HB LYS 122 3HB LYS 122 8.080 8.886 15.687 866 1HG LYS 122 2HG LYS 122 9.244 6.275 16.444 867 2HG LYS 122 3HG LYS 122 10.299 7.619 16.833 868 1HD LYS 122 2HD LYS 122 8.697 8.638 18.264 869 2HD LYS 122 3HD LYS 122 7.355 7.772 17.543 870 1HE LYS 122 2HE LYS 122 8.779 5.639 18.452 871 2HE LYS 122 3HE LYS 122 9.334 6.838 19.603 872 1HZ LYS 122 1HZ LYS 122 7.457 6.283 20.635 873 2HZ LYS 122 2HZ LYS 122 6.725 7.298 19.586 874 3HZ LYS 122 3HZ LYS 122 6.727 5.690 19.299 875 H ALA 123 HN ALA 123 6.091 7.534 16.045 876 HA ALA 123 HA ALA 123 4.074 7.601 14.001 877 1HB ALA 123 1HB ALA 123 4.251 7.458 16.957 878 2HB ALA 123 2HB ALA 123 2.846 8.354 16.332 879 3HB ALA 123 3HB ALA 123 3.116 6.666 15.838 880 H ASP 124 HN ASP 124 2.493 9.457 13.877 881 HA ASP 124 HA ASP 124 4.041 11.888 13.821 882 1HB ASP 124 2HB ASP 124 1.868 10.734 12.286 883 2HB ASP 124 3HB ASP 124 1.341 12.286 12.908 884 H ASP 125 HN ASP 125 4.024 12.540 16.068 885 HA ASP 125 HA ASP 125 1.805 12.376 17.691 886 1HB ASP 125 2HB ASP 125 4.318 14.070 17.684 887 2HB ASP 125 3HB ASP 125 3.079 14.391 18.881 888 H LEU 126 HN LEU 126 2.762 14.627 15.145 889 HA LEU 126 HA LEU 126 1.857 16.450 14.293 890 1HB LEU 126 2HB LEU 126 -0.591 15.252 15.579 891 2HB LEU 126 3HB LEU 126 -0.656 16.706 14.602 892 HG LEU 126 HG LEU 126 0.532 14.149 13.527 893 1HD1 LEU 126 1HD1 LEU 126 -2.091 14.454 12.509 894 2HD1 LEU 126 2HD1 LEU 126 -1.440 13.139 13.517 895 3HD1 LEU 126 3HD1 LEU 126 -2.204 14.552 14.283 896 1HD2 LEU 126 1HD2 LEU 126 0.794 16.499 12.446 897 2HD2 LEU 126 2HD2 LEU 126 0.349 15.108 11.429 898 3HD2 LEU 126 3HD2 LEU 126 -0.899 16.266 11.947 899 H GLY 127 HN GLY 127 2.970 16.335 17.176 900 1HA GLY 127 1HA GLY 127 3.084 18.946 17.798 901 2HA GLY 127 2HA GLY 127 1.550 18.482 18.506 902 H LYS 128 HN LYS 128 4.851 18.768 19.103 903 HA LYS 128 HA LYS 128 4.727 16.719 21.205 904 1HB LYS 128 2HB LYS 128 6.821 16.076 20.725 905 2HB LYS 128 3HB LYS 128 6.537 16.838 19.173 906 1HG LYS 128 2HG LYS 128 7.396 19.032 20.263 907 2HG LYS 128 3HG LYS 128 7.943 18.035 21.596 908 1HD LYS 128 2HD LYS 128 9.385 16.721 20.103 909 2HD LYS 128 3HD LYS 128 8.734 17.530 18.691 910 1HE LYS 128 2HE LYS 128 10.292 19.164 18.898 911 2HE LYS 128 3HE LYS 128 9.648 19.589 20.471 912 1HZ LYS 128 1HZ LYS 128 11.395 18.668 21.411 913 2HZ LYS 128 2HZ LYS 128 11.164 17.239 20.656 914 3HZ LYS 128 3HZ LYS 128 12.056 18.405 19.941 915 H GLY 129 HN GLY 129 5.419 20.107 20.317 916 1HA GLY 129 1HA GLY 129 4.584 21.405 22.453 917 2HA GLY 129 2HA GLY 129 6.089 20.766 23.084 918 H GLY 130 HN GLY 130 7.777 20.860 20.814 919 1HA GLY 130 1HA GLY 130 8.253 23.724 20.674 920 2HA GLY 130 2HA GLY 130 9.314 22.432 20.149 921 H ASN 131 HN ASN 131 8.769 24.772 18.579 922 HA ASN 131 HA ASN 131 7.093 23.636 16.485 923 1HB ASN 131 2HB ASN 131 7.990 26.548 16.673 924 2HB ASN 131 3HB ASN 131 6.666 25.898 15.726 925 1HD2 ASN 131 1HD2 ASN 131 7.764 26.942 18.830 926 2HD2 ASN 131 2HD2 ASN 131 6.254 26.891 19.677 927 H GLU 132 HN GLU 132 8.394 22.686 14.906 928 HA GLU 132 HA GLU 132 10.035 23.923 13.271 929 1HB GLU 132 2HB GLU 132 11.410 23.624 15.854 930 2HB GLU 132 3HB GLU 132 12.312 22.886 14.545 931 1HG GLU 132 2HG GLU 132 12.861 24.905 13.641 932 2HG GLU 132 3HG GLU 132 11.213 25.493 13.745 933 H GLN 133 HN GLN 133 9.238 21.100 15.178 934 HA GLN 133 HA GLN 133 10.346 19.418 13.070 935 1HB GLN 133 2HB GLN 133 11.029 19.140 15.588 936 2HB GLN 133 3HB GLN 133 9.450 18.405 15.784 937 1HG GLN 133 2HG GLN 133 10.366 16.456 15.068 938 2HG GLN 133 3HG GLN 133 10.465 17.168 13.470 939 1HE2 GLN 133 1HE2 GLN 133 12.315 16.022 12.976 940 2HE2 GLN 133 2HE2 GLN 133 13.877 16.412 13.615 941 H SER 134 HN SER 134 7.599 19.378 15.466 942 HA SER 134 HA SER 134 6.045 17.754 13.797 943 1HB SER 134 2HB SER 134 4.205 18.831 15.491 944 2HB SER 134 3HB SER 134 5.269 17.511 15.934 945 HG SER 134 HG SER 134 5.905 20.306 16.352 946 H THR 135 HN THR 135 6.589 21.230 14.082 947 HA THR 135 HA THR 135 4.169 21.983 12.735 948 HB THR 135 HB THR 135 5.497 24.231 12.715 949 HG1 THR 135 1HG THR 135 7.599 23.916 13.325 950 1HG2 THR 135 1HG2 THR 135 4.866 22.651 15.241 951 2HG2 THR 135 2HG2 THR 135 5.582 24.277 15.343 952 3HG2 THR 135 3HG2 THR 135 3.996 24.050 14.567 953 H LYS 136 HN LYS 136 7.140 20.580 11.753 954 HA LYS 136 HA LYS 136 6.803 21.696 9.063 955 1HB LYS 136 2HB LYS 136 9.102 21.033 8.659 956 2HB LYS 136 3HB LYS 136 9.006 22.049 10.082 957 1HG LYS 136 2HG LYS 136 9.370 20.236 11.570 958 2HG LYS 136 3HG LYS 136 8.864 19.038 10.395 959 1HD LYS 136 2HD LYS 136 10.923 19.713 8.998 960 2HD LYS 136 3HD LYS 136 11.455 20.647 10.382 961 1HE LYS 136 2HE LYS 136 11.737 18.711 11.745 962 2HE LYS 136 3HE LYS 136 10.706 17.725 10.727 963 1HZ LYS 136 1HZ LYS 136 13.168 18.861 9.646 964 2HZ LYS 136 2HZ LYS 136 13.215 17.488 10.530 965 3HZ LYS 136 3HZ LYS 136 12.345 17.541 9.148 966 H THR 137 HN THR 137 6.706 18.775 11.073 967 HA THR 137 HA THR 137 5.616 17.347 8.762 968 HB THR 137 HB THR 137 7.036 15.374 9.364 969 HG1 THR 137 1HG THR 137 8.210 15.559 11.253 970 1HG2 THR 137 1HG2 THR 137 8.792 16.139 8.106 971 2HG2 THR 137 2HG2 THR 137 7.985 17.725 8.113 972 3HG2 THR 137 3HG2 THR 137 9.219 17.350 9.339 973 H GLY 138 HN GLY 138 6.460 16.574 12.201 974 1HA GLY 138 1HA GLY 138 4.285 16.865 13.598 975 2HA GLY 138 2HA GLY 138 3.711 15.599 12.531 976 H ASN 139 HN ASN 139 7.021 16.101 13.921 977 HA ASN 139 HA ASN 139 8.343 14.735 14.979 978 1HB ASN 139 2HB ASN 139 5.782 14.717 16.496 979 2HB ASN 139 3HB ASN 139 6.805 13.341 16.856 980 1HD2 ASN 139 1HD2 ASN 139 7.536 13.844 18.815 981 2HD2 ASN 139 2HD2 ASN 139 8.484 15.235 19.221 982 H ALA 140 HN ALA 140 6.764 13.654 12.596 983 HA ALA 140 HA ALA 140 6.014 10.995 13.101 984 1HB ALA 140 1HB ALA 140 5.484 11.005 10.882 985 2HB ALA 140 2HB ALA 140 5.737 12.759 11.045 986 3HB ALA 140 3HB ALA 140 7.039 11.727 10.406 987 H GLY 141 HN GLY 141 8.967 12.313 11.426 988 1HA GLY 141 1HA GLY 141 11.028 11.289 12.607 989 2HA GLY 141 2HA GLY 141 10.334 9.783 12.039 990 H SER 142 HN SER 142 11.150 9.051 10.132 991 HA SER 142 HA SER 142 11.520 10.942 8.011 992 1HB SER 142 2HB SER 142 13.710 10.743 9.447 993 2HB SER 142 3HB SER 142 13.878 9.165 8.703 994 HG SER 142 HG SER 142 13.496 11.586 7.167 995 H ARG 143 HN ARG 143 10.728 9.979 6.172 996 HA ARG 143 HA ARG 143 9.601 7.584 6.092 997 1HB ARG 143 2HB ARG 143 9.800 7.693 3.611 998 2HB ARG 143 3HB ARG 143 9.423 9.268 4.279 999 1HG ARG 143 2HG ARG 143 12.336 8.736 4.098 1000 2HG ARG 143 3HG ARG 143 11.530 8.715 2.543 1001 1HD ARG 143 2HD ARG 143 10.611 10.962 2.914 1002 2HD ARG 143 3HD ARG 143 11.192 10.978 4.568 1003 HE ARG 143 HE ARG 143 13.294 10.555 2.550 1004 1HH1 ARG 143 2HH2 ARG 143 11.516 12.912 4.464 1005 2HH1 ARG 143 1HH2 ARG 143 12.737 14.134 4.327 1006 1HH2 ARG 143 2HH1 ARG 143 14.905 12.166 2.369 1007 2HH2 ARG 143 1HH1 ARG 143 14.677 13.707 3.127 1008 H LEU 144 HN LEU 144 10.188 5.446 5.193 1009 HA LEU 144 HA LEU 144 12.905 4.885 4.567 1010 1HB LEU 144 2HB LEU 144 13.077 3.208 6.515 1011 2HB LEU 144 3HB LEU 144 13.484 4.893 6.774 1012 HG LEU 144 HG LEU 144 10.762 4.744 7.403 1013 1HD1 LEU 144 1HD1 LEU 144 11.257 2.191 7.358 1014 2HD1 LEU 144 2HD1 LEU 144 12.074 2.499 8.910 1015 3HD1 LEU 144 3HD1 LEU 144 10.347 2.887 8.721 1016 1HD2 LEU 144 1HD2 LEU 144 11.425 5.659 9.368 1017 2HD2 LEU 144 2HD2 LEU 144 12.742 4.487 9.606 1018 3HD2 LEU 144 3HD2 LEU 144 12.953 5.845 8.475 1019 H ALA 145 HN ALA 145 11.590 4.283 2.666 1020 HA ALA 145 HA ALA 145 11.322 1.656 2.275 1021 1HB ALA 145 1HB ALA 145 8.557 1.804 2.490 1022 2HB ALA 145 2HB ALA 145 9.645 0.966 3.622 1023 3HB ALA 145 3HB ALA 145 9.120 2.632 3.961 1024 H CYS 146 HN CYS 146 10.079 1.134 0.250 1025 HA CYS 146 HA CYS 146 8.986 3.380 -1.156 1026 1HB CYS 146 2HB CYS 146 11.740 2.441 -1.669 1027 2HB CYS 146 3HB CYS 146 10.730 2.599 -3.092 1028 H GLY 147 HN GLY 147 7.344 1.520 -0.564 1029 1HA GLY 147 1HA GLY 147 7.557 -0.899 -2.111 1030 2HA GLY 147 2HA GLY 147 6.223 -0.384 -1.099 1031 H VAL 148 HN VAL 148 7.896 0.689 -4.151 1032 HA VAL 148 HA VAL 148 5.775 2.089 -5.207 1033 HB VAL 148 HB VAL 148 8.182 0.693 -6.287 1034 1HG1 VAL 148 1HG1 VAL 148 6.725 0.173 -8.067 1035 2HG1 VAL 148 2HG1 VAL 148 5.883 1.737 -7.952 1036 3HG1 VAL 148 3HG1 VAL 148 7.549 1.667 -8.575 1037 1HG2 VAL 148 1HG2 VAL 148 7.442 3.529 -6.882 1038 2HG2 VAL 148 2HG2 VAL 148 7.901 3.114 -5.213 1039 3HG2 VAL 148 3HG2 VAL 148 9.034 2.804 -6.550 1040 H ILE 149 HN ILE 149 3.824 1.553 -6.068 1041 HA ILE 149 HA ILE 149 3.150 -1.256 -6.110 1042 HB ILE 149 HB ILE 149 1.503 1.234 -6.568 1043 1HG1 ILE 149 2HG1 ILE 149 0.658 0.026 -4.229 1044 2HG1 ILE 149 3HG1 ILE 149 2.396 -0.188 -4.159 1045 1HG2 ILE 149 1HG2 ILE 149 -0.449 -0.168 -6.426 1046 2HG2 ILE 149 2HG2 ILE 149 0.608 -0.774 -7.724 1047 3HG2 ILE 149 3HG2 ILE 149 0.554 -1.613 -6.156 1048 1HD1 ILE 149 1HD1 ILE 149 2.403 1.942 -3.331 1049 2HD1 ILE 149 2HD1 ILE 149 2.231 2.425 -5.035 1050 3HD1 ILE 149 3HD1 ILE 149 0.792 2.304 -3.995 1051 H GLY 150 HN GLY 150 3.267 -2.522 -7.882 1052 1HA GLY 150 1HA GLY 150 3.020 -1.226 -10.517 1053 2HA GLY 150 2HA GLY 150 4.396 -2.253 -10.166 1054 H ILE 151 HN ILE 151 1.915 -2.466 -12.034 1055 HA ILE 151 HA ILE 151 0.201 -4.427 -11.176 1056 HB ILE 151 HB ILE 151 1.267 -3.649 -13.872 1057 1HG1 ILE 151 2HG1 ILE 151 -0.210 -2.058 -12.792 1058 2HG1 ILE 151 3HG1 ILE 151 -1.008 -2.781 -14.174 1059 1HG2 ILE 151 1HG2 ILE 151 0.756 -5.723 -14.581 1060 2HG2 ILE 151 2HG2 ILE 151 -0.261 -6.079 -13.164 1061 3HG2 ILE 151 3HG2 ILE 151 -0.917 -5.118 -14.511 1062 1HD1 ILE 151 1HD1 ILE 151 -1.857 -4.533 -12.311 1063 2HD1 ILE 151 2HD1 ILE 151 -1.578 -3.134 -11.246 1064 3HD1 ILE 151 3HD1 ILE 151 -2.708 -3.000 -12.615 1065 H ALA 152 HN ALA 152 0.169 -6.710 -11.245 1066 HA ALA 152 HA ALA 152 2.604 -8.053 -12.060 1067 1HB ALA 152 1HB ALA 152 2.645 -7.237 -9.536 1068 2HB ALA 152 2HB ALA 152 1.585 -8.646 -9.292 1069 3HB ALA 152 3HB ALA 152 3.214 -8.865 -9.974 1070 H GLN 153 HN GLN 153 2.276 -10.467 -12.059 1071 HA GLN 153 HA GLN 153 -0.417 -10.965 -12.906 1072 1HB GLN 153 2HB GLN 153 1.854 -11.754 -14.009 1073 2HB GLN 153 3HB GLN 153 1.772 -13.054 -12.836 1074 1HG GLN 153 2HG GLN 153 -0.419 -13.764 -13.676 1075 2HG GLN 153 3HG GLN 153 -0.528 -12.361 -14.720 1076 1HE2 GLN 153 1HE2 GLN 153 -0.917 -14.457 -16.069 1077 2HE2 GLN 153 2HE2 GLN 153 0.448 -15.031 -16.968 Start of MODEL 23 1 1H ALA 1 HN ALA 1 -8.310 -2.921 -11.476 2 HA ALA 1 HA ALA 1 -9.826 -4.763 -12.309 3 1HB ALA 1 1HB ALA 1 -9.752 -5.184 -14.691 4 2HB ALA 1 2HB ALA 1 -10.245 -3.491 -14.446 5 3HB ALA 1 3HB ALA 1 -8.576 -3.870 -14.936 6 H THR 2 HN THR 2 -6.608 -3.401 -12.537 7 HA THR 2 HA THR 2 -5.410 -6.064 -12.709 8 HB THR 2 HB THR 2 -4.204 -3.246 -12.757 9 HG1 THR 2 1HG THR 2 -5.025 -5.290 -14.689 10 1HG2 THR 2 1HG2 THR 2 -2.341 -4.632 -12.311 11 2HG2 THR 2 2HG2 THR 2 -3.088 -6.046 -13.092 12 3HG2 THR 2 3HG2 THR 2 -2.426 -4.727 -14.087 13 H LYS 3 HN LYS 3 -3.481 -6.457 -11.212 14 HA LYS 3 HA LYS 3 -4.218 -5.498 -8.534 15 1HB LYS 3 2HB LYS 3 -4.890 -7.797 -8.731 16 2HB LYS 3 3HB LYS 3 -3.350 -8.258 -9.427 17 1HG LYS 3 2HG LYS 3 -2.729 -6.936 -6.974 18 2HG LYS 3 3HG LYS 3 -4.081 -7.993 -6.618 19 1HD LYS 3 2HD LYS 3 -1.663 -8.988 -8.177 20 2HD LYS 3 3HD LYS 3 -1.678 -8.985 -6.425 21 1HE LYS 3 2HE LYS 3 -4.166 -10.135 -7.183 22 2HE LYS 3 3HE LYS 3 -2.988 -10.837 -8.274 23 1HZ LYS 3 1HZ LYS 3 -3.326 -11.924 -6.038 24 2HZ LYS 3 2HZ LYS 3 -1.782 -11.678 -6.510 25 3HZ LYS 3 3HZ LYS 3 -2.464 -10.692 -5.401 26 H ALA 4 HN ALA 4 -2.741 -3.914 -8.116 27 HA ALA 4 HA ALA 4 -0.032 -4.228 -9.059 28 1HB ALA 4 1HB ALA 4 -1.794 -2.091 -8.321 29 2HB ALA 4 2HB ALA 4 -0.362 -2.013 -7.268 30 3HB ALA 4 3HB ALA 4 -0.168 -1.988 -9.037 31 H VAL 5 HN VAL 5 1.788 -3.735 -7.395 32 HA VAL 5 HA VAL 5 1.219 -4.623 -4.720 33 HB VAL 5 HB VAL 5 3.159 -6.382 -5.108 34 1HG1 VAL 5 1HG1 VAL 5 0.520 -6.532 -4.520 35 2HG1 VAL 5 2HG1 VAL 5 0.547 -7.427 -6.059 36 3HG1 VAL 5 3HG1 VAL 5 1.575 -7.954 -4.704 37 1HG2 VAL 5 1HG2 VAL 5 1.866 -6.100 -7.831 38 2HG2 VAL 5 2HG2 VAL 5 3.596 -6.072 -7.417 39 3HG2 VAL 5 3HG2 VAL 5 2.678 -7.593 -7.302 40 H ALA 6 HN ALA 6 2.959 -4.122 -3.264 41 HA ALA 6 HA ALA 6 5.284 -2.838 -4.450 42 1HB ALA 6 1HB ALA 6 4.195 -1.241 -2.257 43 2HB ALA 6 2HB ALA 6 4.719 -0.733 -3.880 44 3HB ALA 6 3HB ALA 6 3.064 -1.339 -3.628 45 H VAL 7 HN VAL 7 6.820 -4.175 -3.590 46 HA VAL 7 HA VAL 7 6.464 -5.216 -0.929 47 HB VAL 7 HB VAL 7 7.334 -6.647 -2.646 48 1HG1 VAL 7 1HG1 VAL 7 9.935 -5.738 -3.185 49 2HG1 VAL 7 2HG1 VAL 7 8.551 -5.776 -4.304 50 3HG1 VAL 7 3HG1 VAL 7 8.894 -4.306 -3.360 51 1HG2 VAL 7 1HG2 VAL 7 9.694 -7.108 -1.595 52 2HG2 VAL 7 2HG2 VAL 7 9.200 -5.864 -0.422 53 3HG2 VAL 7 3HG2 VAL 7 8.222 -7.338 -0.621 54 H LEU 8 HN LEU 8 6.459 -3.326 0.395 55 HA LEU 8 HA LEU 8 8.068 -1.195 0.337 56 1HB LEU 8 2HB LEU 8 6.929 -2.804 2.585 57 2HB LEU 8 3HB LEU 8 8.010 -1.474 2.952 58 HG LEU 8 HG LEU 8 5.432 -1.099 2.905 59 1HD1 LEU 8 1HD1 LEU 8 5.745 1.215 2.454 60 2HD1 LEU 8 2HD1 LEU 8 7.251 0.618 3.190 61 3HD1 LEU 8 3HD1 LEU 8 7.168 0.895 1.434 62 1HD2 LEU 8 1HD2 LEU 8 6.106 -1.262 -0.013 63 2HD2 LEU 8 2HD2 LEU 8 4.688 -1.878 0.869 64 3HD2 LEU 8 3HD2 LEU 8 4.847 -0.135 0.547 65 H LYS 9 HN LYS 9 10.170 -0.594 0.935 66 HA LYS 9 HA LYS 9 11.948 -2.256 2.274 67 1HB LYS 9 2HB LYS 9 11.505 -3.398 -0.125 68 2HB LYS 9 3HB LYS 9 12.779 -2.287 -0.585 69 1HG LYS 9 2HG LYS 9 14.375 -3.324 0.762 70 2HG LYS 9 3HG LYS 9 13.198 -3.841 1.954 71 1HD LYS 9 2HD LYS 9 12.300 -5.493 0.212 72 2HD LYS 9 3HD LYS 9 13.663 -5.066 -0.803 73 1HE LYS 9 2HE LYS 9 14.811 -5.601 1.730 74 2HE LYS 9 3HE LYS 9 13.579 -6.833 1.540 75 1HZ LYS 9 1HZ LYS 9 15.233 -7.794 0.397 76 2HZ LYS 9 2HZ LYS 9 14.657 -6.903 -0.845 77 3HZ LYS 9 3HZ LYS 9 15.966 -6.394 -0.013 78 H GLY 10 HN GLY 10 13.326 -0.819 3.162 79 1HA GLY 10 1HA GLY 10 14.718 1.119 1.638 80 2HA GLY 10 2HA GLY 10 13.377 1.873 2.477 81 H ASP 11 HN ASP 11 13.169 1.355 4.907 82 HA ASP 11 HA ASP 11 15.431 2.144 6.182 83 1HB ASP 11 2HB ASP 11 13.123 2.196 7.134 84 2HB ASP 11 3HB ASP 11 13.137 0.449 7.277 85 H GLY 12 HN GLY 12 14.115 -1.158 5.542 86 1HA GLY 12 1HA GLY 12 15.891 -2.826 5.095 87 2HA GLY 12 2HA GLY 12 16.627 -2.312 6.600 88 HA PRO 13 HA PRO 13 13.868 -4.787 8.889 89 1HB PRO 13 2HB PRO 13 12.761 -3.244 10.854 90 2HB PRO 13 3HB PRO 13 14.397 -3.866 10.932 91 1HG PRO 13 2HG PRO 13 13.486 -1.114 10.352 92 2HG PRO 13 3HG PRO 13 15.074 -1.663 10.849 93 1HD PRO 13 2HD PRO 13 14.275 -0.891 8.205 94 2HD PRO 13 3HD PRO 13 15.828 -1.549 8.680 95 H VAL 14 HN VAL 14 12.387 -2.011 7.519 96 HA VAL 14 HA VAL 14 9.755 -3.195 7.847 97 HB VAL 14 HB VAL 14 10.572 -0.664 8.009 98 1HG1 VAL 14 1HG1 VAL 14 11.334 -0.672 5.617 99 2HG1 VAL 14 2HG1 VAL 14 9.632 -0.855 5.130 100 3HG1 VAL 14 3HG1 VAL 14 10.155 0.602 6.008 101 1HG2 VAL 14 1HG2 VAL 14 7.932 -1.735 6.989 102 2HG2 VAL 14 2HG2 VAL 14 8.374 -1.259 8.646 103 3HG2 VAL 14 3HG2 VAL 14 8.178 -0.018 7.386 104 H GLN 15 HN GLN 15 9.125 -4.742 6.438 105 HA GLN 15 HA GLN 15 9.877 -4.314 3.660 106 1HB GLN 15 2HB GLN 15 11.293 -6.111 4.823 107 2HB GLN 15 3HB GLN 15 9.828 -7.060 4.977 108 1HG GLN 15 2HG GLN 15 9.705 -6.393 2.309 109 2HG GLN 15 3HG GLN 15 11.441 -6.440 2.540 110 1HE2 GLN 15 1HE2 GLN 15 8.604 -8.265 3.699 111 2HE2 GLN 15 2HE2 GLN 15 9.214 -9.852 3.366 112 H GLY 16 HN GLY 16 7.499 -3.351 4.534 113 1HA GLY 16 1HA GLY 16 5.353 -5.141 4.699 114 2HA GLY 16 2HA GLY 16 5.273 -3.452 4.241 115 H ILE 17 HN ILE 17 3.537 -5.255 3.029 116 HA ILE 17 HA ILE 17 4.517 -5.141 0.290 117 HB ILE 17 HB ILE 17 3.558 -7.629 1.688 118 1HG1 ILE 17 2HG1 ILE 17 5.935 -7.344 -0.142 119 2HG1 ILE 17 3HG1 ILE 17 6.045 -6.881 1.545 120 1HG2 ILE 17 1HG2 ILE 17 3.738 -7.151 -1.299 121 2HG2 ILE 17 2HG2 ILE 17 3.434 -8.715 -0.505 122 3HG2 ILE 17 3HG2 ILE 17 2.248 -7.396 -0.356 123 1HD1 ILE 17 1HD1 ILE 17 6.524 -9.409 0.677 124 2HD1 ILE 17 2HD1 ILE 17 5.894 -9.055 2.304 125 3HD1 ILE 17 3HD1 ILE 17 4.779 -9.541 1.004 126 H ILE 18 HN ILE 18 3.100 -3.770 -0.646 127 HA ILE 18 HA ILE 18 0.335 -3.850 0.288 128 HB ILE 18 HB ILE 18 0.186 -1.670 -0.202 129 1HG1 ILE 18 2HG1 ILE 18 1.824 -0.729 -2.125 130 2HG1 ILE 18 3HG1 ILE 18 1.704 -2.394 -2.659 131 1HG2 ILE 18 1HG2 ILE 18 1.997 -0.563 0.629 132 2HG2 ILE 18 2HG2 ILE 18 2.445 -2.227 1.075 133 3HG2 ILE 18 3HG2 ILE 18 3.159 -1.470 -0.370 134 1HD1 ILE 18 1HD1 ILE 18 -0.381 -2.035 -3.461 135 2HD1 ILE 18 2HD1 ILE 18 -0.931 -1.464 -1.867 136 3HD1 ILE 18 3HD1 ILE 18 -0.210 -0.318 -3.023 137 H ASN 19 HN ASN 19 -1.406 -3.675 -1.410 138 HA ASN 19 HA ASN 19 -0.620 -4.724 -3.966 139 1HB ASN 19 2HB ASN 19 -2.898 -6.287 -3.243 140 2HB ASN 19 3HB ASN 19 -1.268 -6.869 -3.522 141 1HD2 ASN 19 1HD2 ASN 19 -0.634 -8.138 -1.967 142 2HD2 ASN 19 2HD2 ASN 19 -0.883 -7.929 -0.265 143 H PHE 20 HN PHE 20 -1.784 -3.452 -5.415 144 HA PHE 20 HA PHE 20 -4.312 -2.326 -4.453 145 1HB PHE 20 2HB PHE 20 -2.084 -1.550 -6.376 146 2HB PHE 20 3HB PHE 20 -3.684 -0.911 -6.695 147 HD1 PHE 20 1HD PHE 20 -2.884 1.370 -6.373 148 HD2 PHE 20 2HD PHE 20 -2.635 -1.488 -3.246 149 HE1 PHE 20 1HE PHE 20 -2.476 3.214 -4.720 150 HE2 PHE 20 2HE PHE 20 -2.227 0.357 -1.593 151 HZ PHE 20 HZ PHE 20 -2.153 2.686 -2.350 152 H GLU 21 HN GLU 21 -5.869 -3.852 -5.011 153 HA GLU 21 HA GLU 21 -5.859 -4.616 -7.827 154 1HB GLU 21 2HB GLU 21 -5.633 -6.444 -6.019 155 2HB GLU 21 3HB GLU 21 -7.294 -6.093 -5.588 156 1HG GLU 21 2HG GLU 21 -8.142 -6.852 -7.663 157 2HG GLU 21 3HG GLU 21 -6.614 -6.623 -8.490 158 H GLN 22 HN GLN 22 -7.692 -4.192 -9.079 159 HA GLN 22 HA GLN 22 -10.002 -3.178 -7.648 160 1HB GLN 22 2HB GLN 22 -8.695 -1.193 -8.314 161 2HB GLN 22 3HB GLN 22 -8.630 -1.757 -9.972 162 1HG GLN 22 2HG GLN 22 -11.396 -1.774 -9.186 163 2HG GLN 22 3HG GLN 22 -10.724 -0.243 -8.661 164 1HE2 GLN 22 1HE2 GLN 22 -10.486 1.331 -10.072 165 2HE2 GLN 22 2HE2 GLN 22 -10.595 1.204 -11.796 166 H LYS 23 HN LYS 23 -10.211 -5.665 -8.401 167 HA LYS 23 HA LYS 23 -10.773 -6.056 -11.154 168 1HB LYS 23 2HB LYS 23 -10.500 -7.643 -8.773 169 2HB LYS 23 3HB LYS 23 -12.002 -8.071 -9.567 170 1HG LYS 23 2HG LYS 23 -10.337 -7.912 -11.747 171 2HG LYS 23 3HG LYS 23 -9.187 -8.406 -10.520 172 1HD LYS 23 2HD LYS 23 -9.966 -10.532 -10.597 173 2HD LYS 23 3HD LYS 23 -11.574 -9.986 -10.164 174 1HE LYS 23 2HE LYS 23 -12.047 -9.463 -12.566 175 2HE LYS 23 3HE LYS 23 -10.437 -10.000 -13.002 176 1HZ LYS 23 1HZ LYS 23 -12.724 -11.546 -12.522 177 2HZ LYS 23 2HZ LYS 23 -11.285 -12.012 -13.135 178 3HZ LYS 23 3HZ LYS 23 -11.526 -12.024 -11.520 179 H GLU 24 HN GLU 24 -12.149 -3.958 -11.168 180 HA GLU 24 HA GLU 24 -14.891 -4.841 -10.813 181 1HB GLU 24 2HB GLU 24 -13.592 -2.747 -9.296 182 2HB GLU 24 3HB GLU 24 -14.824 -2.021 -10.308 183 1HG GLU 24 2HG GLU 24 -15.365 -4.480 -8.586 184 2HG GLU 24 3HG GLU 24 -15.589 -2.847 -7.988 185 H SER 25 HN SER 25 -12.663 -2.309 -12.150 186 HA SER 25 HA SER 25 -12.486 -1.554 -14.200 187 1HB SER 25 2HB SER 25 -13.973 -3.888 -14.686 188 2HB SER 25 3HB SER 25 -14.920 -2.631 -15.458 189 HG SER 25 HG SER 25 -13.056 -3.747 -16.690 190 H ASN 26 HN ASN 26 -15.025 -1.177 -12.041 191 HA ASN 26 HA ASN 26 -15.603 1.391 -13.075 192 1HB ASN 26 2HB ASN 26 -17.562 -0.865 -13.401 193 2HB ASN 26 3HB ASN 26 -18.232 0.636 -12.795 194 1HD2 ASN 26 1HD2 ASN 26 -18.982 -0.401 -15.211 195 2HD2 ASN 26 2HD2 ASN 26 -18.429 0.599 -16.513 196 H GLY 27 HN GLY 27 -14.507 -0.013 -10.657 197 1HA GLY 27 1HA GLY 27 -16.383 1.076 -8.662 198 2HA GLY 27 2HA GLY 27 -15.747 -0.546 -8.481 199 HA PRO 28 HA PRO 28 -12.773 2.365 -6.593 200 1HB PRO 28 2HB PRO 28 -12.913 1.480 -4.011 201 2HB PRO 28 3HB PRO 28 -13.832 2.848 -4.606 202 1HG PRO 28 2HG PRO 28 -14.768 0.110 -4.002 203 2HG PRO 28 3HG PRO 28 -15.709 1.577 -4.181 204 1HD PRO 28 2HD PRO 28 -15.446 -0.538 -6.100 205 2HD PRO 28 3HD PRO 28 -16.292 0.981 -6.323 206 H VAL 29 HN VAL 29 -10.600 2.040 -5.821 207 HA VAL 29 HA VAL 29 -9.714 -0.558 -6.714 208 HB VAL 29 HB VAL 29 -8.235 1.896 -5.744 209 1HG1 VAL 29 1HG1 VAL 29 -7.252 -0.681 -5.843 210 2HG1 VAL 29 2HG1 VAL 29 -6.782 -0.022 -7.428 211 3HG1 VAL 29 3HG1 VAL 29 -6.279 0.807 -5.936 212 1HG2 VAL 29 1HG2 VAL 29 -9.129 0.940 -8.450 213 2HG2 VAL 29 2HG2 VAL 29 -9.178 2.574 -7.747 214 3HG2 VAL 29 3HG2 VAL 29 -7.630 1.888 -8.298 215 H LYS 30 HN LYS 30 -9.401 -2.276 -5.399 216 HA LYS 30 HA LYS 30 -9.780 -1.946 -2.589 217 1HB LYS 30 2HB LYS 30 -9.763 -4.110 -4.537 218 2HB LYS 30 3HB LYS 30 -8.888 -4.552 -3.085 219 1HG LYS 30 2HG LYS 30 -10.954 -3.518 -1.809 220 2HG LYS 30 3HG LYS 30 -11.782 -3.675 -3.345 221 1HD LYS 30 2HD LYS 30 -11.125 -6.128 -3.387 222 2HD LYS 30 3HD LYS 30 -10.441 -5.934 -1.785 223 1HE LYS 30 2HE LYS 30 -12.630 -5.324 -0.853 224 2HE LYS 30 3HE LYS 30 -13.350 -5.281 -2.450 225 1HZ LYS 30 1HZ LYS 30 -12.144 -7.688 -1.277 226 2HZ LYS 30 2HZ LYS 30 -13.741 -7.353 -1.234 227 3HZ LYS 30 3HZ LYS 30 -12.997 -7.603 -2.666 228 H VAL 31 HN VAL 31 -8.101 -0.591 -1.837 229 HA VAL 31 HA VAL 31 -5.379 -1.453 -2.342 230 HB VAL 31 HB VAL 31 -6.685 0.930 -1.051 231 1HG1 VAL 31 1HG1 VAL 31 -3.990 1.527 -1.067 232 2HG1 VAL 31 2HG1 VAL 31 -4.948 1.080 0.365 233 3HG1 VAL 31 3HG1 VAL 31 -4.014 -0.161 -0.504 234 1HG2 VAL 31 1HG2 VAL 31 -5.086 2.032 -2.801 235 2HG2 VAL 31 2HG2 VAL 31 -5.053 0.407 -3.526 236 3HG2 VAL 31 3HG2 VAL 31 -6.599 1.270 -3.348 237 H TRP 32 HN TRP 32 -4.209 -2.715 -0.980 238 HA TRP 32 HA TRP 32 -4.804 -2.711 1.835 239 1HB TRP 32 2HB TRP 32 -5.867 -4.644 2.071 240 2HB TRP 32 3HB TRP 32 -6.281 -4.472 0.376 241 HD1 TRP 32 HD1 TRP 32 -3.621 -6.286 2.566 242 HE1 TRP 32 HE1 TRP 32 -2.731 -8.452 1.350 243 HE3 TRP 32 HE3 TRP 32 -6.132 -5.510 -1.786 244 HZ2 TRP 32 HZ2 TRP 32 -3.167 -9.573 -1.238 245 HZ3 TRP 32 HZ3 TRP 32 -5.845 -7.188 -3.607 246 HH2 TRP 32 HH2 TRP 32 -4.423 -9.164 -3.386 247 H GLY 33 HN GLY 33 -3.155 -4.279 2.941 248 1HA GLY 33 1HA GLY 33 -0.938 -5.275 1.556 249 2HA GLY 33 2HA GLY 33 -0.572 -3.629 2.035 250 H SER 34 HN SER 34 1.121 -5.054 3.288 251 HA SER 34 HA SER 34 0.165 -5.139 5.973 252 1HB SER 34 2HB SER 34 1.277 -7.666 4.673 253 2HB SER 34 3HB SER 34 0.976 -7.474 6.388 254 HG SER 34 HG SER 34 -0.753 -8.331 4.571 255 H ILE 35 HN ILE 35 1.746 -4.049 7.078 256 HA ILE 35 HA ILE 35 4.387 -3.911 5.917 257 HB ILE 35 HB ILE 35 2.736 -2.323 7.701 258 1HG1 ILE 35 2HG1 ILE 35 5.203 -1.190 6.549 259 2HG1 ILE 35 3HG1 ILE 35 4.154 -1.963 5.378 260 1HG2 ILE 35 1HG2 ILE 35 4.272 -3.176 9.415 261 2HG2 ILE 35 2HG2 ILE 35 5.659 -2.627 8.443 262 3HG2 ILE 35 3HG2 ILE 35 4.514 -1.439 9.110 263 1HD1 ILE 35 1HD1 ILE 35 3.150 0.116 5.396 264 2HD1 ILE 35 2HD1 ILE 35 2.264 -0.599 6.763 265 3HD1 ILE 35 3HD1 ILE 35 3.660 0.463 7.065 266 H LYS 36 HN LYS 36 6.343 -4.230 7.337 267 HA LYS 36 HA LYS 36 5.969 -5.984 9.585 268 1HB LYS 36 2HB LYS 36 7.438 -7.043 7.155 269 2HB LYS 36 3HB LYS 36 7.192 -7.865 8.683 270 1HG LYS 36 2HG LYS 36 4.695 -7.745 8.302 271 2HG LYS 36 3HG LYS 36 4.995 -7.019 6.735 272 1HD LYS 36 2HD LYS 36 6.319 -9.049 6.066 273 2HD LYS 36 3HD LYS 36 5.968 -9.777 7.621 274 1HE LYS 36 2HE LYS 36 3.458 -8.903 6.531 275 2HE LYS 36 3HE LYS 36 4.314 -9.720 5.239 276 1HZ LYS 36 1HZ LYS 36 2.951 -11.115 6.812 277 2HZ LYS 36 2HZ LYS 36 4.462 -11.644 6.489 278 3HZ LYS 36 3HZ LYS 36 4.142 -10.902 7.908 279 H GLY 37 HN GLY 37 7.089 -4.604 10.919 280 1HA GLY 37 1HA GLY 37 9.664 -4.628 11.375 281 2HA GLY 37 2HA GLY 37 9.662 -3.557 9.988 282 H LEU 38 HN LEU 38 7.025 -2.328 10.551 283 HA LEU 38 HA LEU 38 7.843 -0.177 12.061 284 1HB LEU 38 2HB LEU 38 5.278 -1.218 11.006 285 2HB LEU 38 3HB LEU 38 5.162 -0.041 12.298 286 HG LEU 38 HG LEU 38 6.786 0.443 9.793 287 1HD1 LEU 38 1HD1 LEU 38 4.519 2.004 9.564 288 2HD1 LEU 38 2HD1 LEU 38 4.866 0.510 8.660 289 3HD1 LEU 38 3HD1 LEU 38 3.885 0.445 10.144 290 1HD2 LEU 38 1HD2 LEU 38 6.505 1.850 12.251 291 2HD2 LEU 38 2HD2 LEU 38 7.419 2.315 10.795 292 3HD2 LEU 38 3HD2 LEU 38 5.719 2.810 10.975 293 H THR 39 HN THR 39 5.951 0.389 14.019 294 HA THR 39 HA THR 39 6.218 -1.809 15.944 295 HB THR 39 HB THR 39 6.830 0.136 17.603 296 HG1 THR 39 1HG THR 39 7.318 2.040 16.530 297 1HG2 THR 39 1HG2 THR 39 9.230 0.246 16.155 298 2HG2 THR 39 2HG2 THR 39 8.826 -0.979 17.382 299 3HG2 THR 39 3HG2 THR 39 8.530 -1.313 15.659 300 H GLU 40 HN GLU 40 4.416 -2.220 17.091 301 HA GLU 40 HA GLU 40 2.023 -1.325 16.372 302 1HB GLU 40 2HB GLU 40 1.181 -2.119 18.541 303 2HB GLU 40 3HB GLU 40 2.429 -3.197 17.949 304 1HG GLU 40 2HG GLU 40 3.470 -2.919 19.948 305 2HG GLU 40 3HG GLU 40 3.881 -1.300 19.418 306 H GLY 41 HN GLY 41 1.281 0.741 16.133 307 1HA GLY 41 1HA GLY 41 0.545 2.454 18.032 308 2HA GLY 41 2HA GLY 41 2.251 2.833 17.908 309 H LEU 42 HN LEU 42 2.059 4.894 16.968 310 HA LEU 42 HA LEU 42 0.565 5.043 14.464 311 1HB LEU 42 2HB LEU 42 1.710 7.183 16.262 312 2HB LEU 42 3HB LEU 42 0.894 7.491 14.743 313 HG LEU 42 HG LEU 42 -0.970 7.700 15.941 314 1HD1 LEU 42 1HD1 LEU 42 -1.320 5.460 14.953 315 2HD1 LEU 42 2HD1 LEU 42 -0.727 4.725 16.462 316 3HD1 LEU 42 3HD1 LEU 42 -2.217 5.698 16.472 317 1HD2 LEU 42 1HD2 LEU 42 -0.751 7.963 18.131 318 2HD2 LEU 42 2HD2 LEU 42 -0.576 6.207 18.369 319 3HD2 LEU 42 3HD2 LEU 42 0.857 7.207 18.030 320 H HIS 43 HN HIS 43 1.553 5.880 12.528 321 HA HIS 43 HA HIS 43 4.390 6.270 12.541 322 1HB HIS 43 2HB HIS 43 4.611 4.458 10.689 323 2HB HIS 43 3HB HIS 43 4.691 4.000 12.378 324 HD1 HIS 43 HD1 HIS 43 2.942 3.224 9.273 325 HD2 HIS 43 HD2 HIS 43 2.086 2.934 13.369 326 HE1 HIS 43 HE1 HIS 43 0.989 1.595 9.482 327 H GLY 44 HN GLY 44 4.991 7.641 10.879 328 1HA GLY 44 1HA GLY 44 3.276 9.273 9.621 329 2HA GLY 44 2HA GLY 44 4.828 8.817 8.948 330 H PHE 45 HN PHE 45 2.585 9.472 7.317 331 HA PHE 45 HA PHE 45 1.685 6.862 6.352 332 1HB PHE 45 2HB PHE 45 0.164 8.933 6.954 333 2HB PHE 45 3HB PHE 45 0.828 9.689 5.519 334 HD1 PHE 45 1HD PHE 45 -1.228 6.879 6.731 335 HD2 PHE 45 2HD PHE 45 0.073 9.076 3.343 336 HE1 PHE 45 1HE PHE 45 -2.975 5.749 5.328 337 HE2 PHE 45 2HE PHE 45 -1.674 7.947 1.939 338 HZ PHE 45 HZ PHE 45 -3.177 6.296 2.948 339 H HIS 46 HN HIS 46 1.521 6.634 3.908 340 HA HIS 46 HA HIS 46 4.057 7.130 2.803 341 1HB HIS 46 2HB HIS 46 1.738 6.413 1.066 342 2HB HIS 46 3HB HIS 46 3.377 5.793 1.063 343 HD1 HIS 46 HD1 HIS 46 3.868 3.698 2.450 344 HD2 HIS 46 HD2 HIS 46 0.020 5.245 3.082 345 HE1 HIS 46 HE1 HIS 46 2.608 1.947 3.813 346 H VAL 47 HN VAL 47 4.060 8.073 0.361 347 HA VAL 47 HA VAL 47 3.656 9.781 -1.028 348 HB VAL 47 HB VAL 47 1.754 11.047 0.924 349 1HG1 VAL 47 1HG1 VAL 47 0.620 11.676 -1.260 350 2HG1 VAL 47 2HG1 VAL 47 2.215 12.411 -0.971 351 3HG1 VAL 47 3HG1 VAL 47 2.058 11.037 -2.091 352 1HG2 VAL 47 1HG2 VAL 47 0.176 9.540 -0.810 353 2HG2 VAL 47 2HG2 VAL 47 1.474 8.424 -0.323 354 3HG2 VAL 47 3HG2 VAL 47 0.469 9.215 0.915 355 H HIS 48 HN HIS 48 5.282 11.225 -1.256 356 HA HIS 48 HA HIS 48 5.790 13.064 0.911 357 1HB HIS 48 2HB HIS 48 7.909 12.412 1.452 358 2HB HIS 48 3HB HIS 48 7.180 10.849 1.141 359 HD1 HIS 48 HD1 HIS 48 8.017 9.506 -0.908 360 HD2 HIS 48 HD2 HIS 48 9.784 13.291 -0.520 361 HE1 HIS 48 HE1 HIS 48 9.982 9.548 -2.536 362 H GLU 49 HN GLU 49 6.893 14.982 0.208 363 HA GLU 49 HA GLU 49 7.633 16.470 -1.208 364 1HB GLU 49 2HB GLU 49 8.463 14.059 -2.480 365 2HB GLU 49 3HB GLU 49 7.759 15.048 -3.743 366 1HG GLU 49 2HG GLU 49 9.278 16.891 -2.272 367 2HG GLU 49 3HG GLU 49 10.265 15.444 -2.229 368 H GLU 50 HN GLU 50 5.918 14.427 -3.658 369 HA GLU 50 HA GLU 50 3.587 16.050 -3.450 370 1HB GLU 50 2HB GLU 50 5.578 17.024 -5.133 371 2HB GLU 50 3HB GLU 50 4.571 16.115 -6.241 372 1HG GLU 50 2HG GLU 50 2.551 17.341 -5.137 373 2HG GLU 50 3HG GLU 50 3.741 18.415 -4.429 374 H GLU 51 HN GLU 51 5.408 13.886 -5.744 375 HA GLU 51 HA GLU 51 3.538 11.822 -5.352 376 1HB GLU 51 2HB GLU 51 2.653 13.699 -7.183 377 2HB GLU 51 3HB GLU 51 3.468 12.554 -8.229 378 1HG GLU 51 2HG GLU 51 1.836 10.990 -7.955 379 2HG GLU 51 3HG GLU 51 1.858 11.159 -6.211 380 H ASP 52 HN ASP 52 5.769 13.189 -7.885 381 HA ASP 52 HA ASP 52 7.512 12.373 -8.880 382 1HB ASP 52 2HB ASP 52 7.704 11.354 -6.138 383 2HB ASP 52 3HB ASP 52 8.468 10.244 -7.258 384 H ASN 53 HN ASN 53 8.501 10.232 -9.870 385 HA ASN 53 HA ASN 53 6.699 8.005 -9.773 386 1HB ASN 53 2HB ASN 53 7.122 9.726 -12.251 387 2HB ASN 53 3HB ASN 53 6.748 8.023 -12.421 388 1HD2 ASN 53 1HD2 ASN 53 5.576 11.153 -11.781 389 2HD2 ASN 53 2HD2 ASN 53 3.912 10.780 -11.477 390 H THR 54 HN THR 54 9.367 8.295 -8.839 391 HA THR 54 HA THR 54 10.771 6.507 -10.674 392 HB THR 54 HB THR 54 11.667 8.672 -11.302 393 HG1 THR 54 1HG THR 54 13.331 7.130 -10.874 394 1HG2 THR 54 1HG2 THR 54 12.354 9.216 -8.384 395 2HG2 THR 54 2HG2 THR 54 12.392 10.349 -9.756 396 3HG2 THR 54 3HG2 THR 54 10.832 9.812 -9.088 397 H ALA 55 HN ALA 55 10.863 8.193 -7.467 398 HA ALA 55 HA ALA 55 11.181 7.374 -5.431 399 1HB ALA 55 1HB ALA 55 9.937 5.513 -5.225 400 2HB ALA 55 2HB ALA 55 10.204 5.085 -6.932 401 3HB ALA 55 3HB ALA 55 11.371 4.569 -5.691 402 H GLY 56 HN GLY 56 13.148 7.798 -4.576 403 1HA GLY 56 1HA GLY 56 15.496 6.553 -5.858 404 2HA GLY 56 2HA GLY 56 15.484 8.049 -4.945 405 H CYS 57 HN CYS 57 13.858 7.223 -2.703 406 HA CYS 57 HA CYS 57 14.078 6.329 -0.712 407 1HB CYS 57 2HB CYS 57 14.421 4.120 -2.541 408 2HB CYS 57 3HB CYS 57 15.363 3.851 -1.087 409 H THR 58 HN THR 58 15.740 8.106 -0.426 410 HA THR 58 HA THR 58 18.283 6.912 0.349 411 HB THR 58 HB THR 58 19.574 8.531 -0.932 412 HG1 THR 58 1HG THR 58 18.455 10.298 -1.868 413 1HG2 THR 58 1HG2 THR 58 18.757 8.208 -3.298 414 2HG2 THR 58 2HG2 THR 58 18.813 6.676 -2.392 415 3HG2 THR 58 3HG2 THR 58 17.257 7.501 -2.653 416 H SER 59 HN SER 59 19.226 9.857 0.573 417 HA SER 59 HA SER 59 17.447 10.880 2.544 418 1HB SER 59 2HB SER 59 18.946 9.037 3.660 419 2HB SER 59 3HB SER 59 20.239 10.211 3.522 420 HG SER 59 HG SER 59 19.072 11.674 4.837 421 H ALA 60 HN ALA 60 17.479 12.710 1.094 422 HA ALA 60 HA ALA 60 20.074 14.087 0.982 423 1HB ALA 60 1HB ALA 60 18.688 15.314 -0.943 424 2HB ALA 60 2HB ALA 60 19.536 13.778 -1.243 425 3HB ALA 60 3HB ALA 60 17.783 13.781 -0.933 426 H GLY 61 HN GLY 61 16.484 14.656 1.136 427 1HA GLY 61 1HA GLY 61 16.418 16.142 3.427 428 2HA GLY 61 2HA GLY 61 16.830 17.305 2.182 429 HA PRO 62 HA PRO 62 12.306 15.960 2.003 430 1HB PRO 62 2HB PRO 62 11.060 17.035 4.185 431 2HB PRO 62 3HB PRO 62 11.539 15.352 4.088 432 1HG PRO 62 2HG PRO 62 12.798 17.553 5.608 433 2HG PRO 62 3HG PRO 62 12.986 15.824 5.821 434 1HD PRO 62 2HD PRO 62 14.850 17.612 4.574 435 2HD PRO 62 3HD PRO 62 14.984 15.868 4.684 436 H HIS 63 HN HIS 63 10.645 17.155 1.032 437 HA HIS 63 HA HIS 63 11.222 20.024 1.100 438 1HB HIS 63 2HB HIS 63 11.804 18.450 -1.044 439 2HB HIS 63 3HB HIS 63 10.158 18.910 -1.431 440 HD1 HIS 63 HD1 HIS 63 9.871 21.129 -2.563 441 HD2 HIS 63 HD2 HIS 63 13.524 20.848 -0.520 442 HE1 HIS 63 HE1 HIS 63 11.166 23.258 -3.117 443 H PHE 64 HN PHE 64 8.797 17.520 0.063 444 HA PHE 64 HA PHE 64 6.601 17.451 0.238 445 1HB PHE 64 2HB PHE 64 6.963 19.494 2.503 446 2HB PHE 64 3HB PHE 64 5.672 18.317 2.366 447 HD1 PHE 64 1HD PHE 64 7.200 18.557 4.834 448 HD2 PHE 64 2HD PHE 64 8.027 16.256 1.366 449 HE1 PHE 64 1HE PHE 64 8.527 16.940 6.223 450 HE2 PHE 64 2HE PHE 64 9.353 14.639 2.754 451 HZ PHE 64 HZ PHE 64 9.587 15.000 5.166 452 H ASN 65 HN ASN 65 4.507 18.704 0.032 453 HA ASN 65 HA ASN 65 5.084 21.074 -1.509 454 1HB ASN 65 2HB ASN 65 2.540 20.818 -2.056 455 2HB ASN 65 3HB ASN 65 3.625 19.595 -2.689 456 1HD2 ASN 65 1HD2 ASN 65 0.832 20.176 -0.989 457 2HD2 ASN 65 2HD2 ASN 65 0.582 18.634 -0.240 458 HA PRO 66 HA PRO 66 3.571 23.386 1.946 459 1HB PRO 66 2HB PRO 66 3.972 25.890 0.928 460 2HB PRO 66 3HB PRO 66 5.228 24.971 1.735 461 1HG PRO 66 2HG PRO 66 4.881 25.495 -1.154 462 2HG PRO 66 3HG PRO 66 6.315 24.962 -0.299 463 1HD PRO 66 2HD PRO 66 4.571 23.344 -1.902 464 2HD PRO 66 3HD PRO 66 5.937 22.791 -0.954 465 H LEU 67 HN LEU 67 1.451 22.435 1.669 466 HA LEU 67 HA LEU 67 -0.382 24.545 1.018 467 1HB LEU 67 2HB LEU 67 -0.196 23.831 -1.185 468 2HB LEU 67 3HB LEU 67 -0.058 22.141 -0.742 469 HG LEU 67 HG LEU 67 -2.234 22.950 -1.843 470 1HD1 LEU 67 1HD1 LEU 67 -2.654 21.468 0.751 471 2HD1 LEU 67 2HD1 LEU 67 -3.476 21.249 -0.813 472 3HD1 LEU 67 3HD1 LEU 67 -1.778 20.748 -0.621 473 1HD2 LEU 67 1HD2 LEU 67 -2.231 24.807 0.176 474 2HD2 LEU 67 2HD2 LEU 67 -3.640 24.349 -0.810 475 3HD2 LEU 67 3HD2 LEU 67 -3.383 23.593 0.781 476 H SER 68 HN SER 68 0.086 21.020 1.706 477 HA SER 68 HA SER 68 -2.042 21.335 3.678 478 1HB SER 68 2HB SER 68 -2.101 19.656 1.472 479 2HB SER 68 3HB SER 68 -1.497 18.580 2.716 480 HG SER 68 HG SER 68 -3.865 18.642 2.548 481 H ARG 69 HN ARG 69 1.103 19.864 2.761 482 HA ARG 69 HA ARG 69 1.423 18.601 5.264 483 1HB ARG 69 2HB ARG 69 3.612 19.297 3.250 484 2HB ARG 69 3HB ARG 69 3.653 18.016 4.445 485 1HG ARG 69 2HG ARG 69 1.663 16.945 3.281 486 2HG ARG 69 3HG ARG 69 1.780 18.174 2.037 487 1HD ARG 69 2HD ARG 69 2.959 16.127 1.315 488 2HD ARG 69 3HD ARG 69 4.104 17.439 1.506 489 HE ARG 69 HE ARG 69 4.569 16.445 3.828 490 1HH1 ARG 69 2HH2 ARG 69 3.376 14.470 1.171 491 2HH1 ARG 69 1HH2 ARG 69 4.054 13.002 1.790 492 1HH2 ARG 69 2HH1 ARG 69 5.465 14.508 4.644 493 2HH2 ARG 69 1HH1 ARG 69 5.250 13.023 3.779 494 H LYS 70 HN LYS 70 0.755 21.003 6.153 495 HA LYS 70 HA LYS 70 3.158 21.989 7.347 496 1HB LYS 70 2HB LYS 70 2.570 23.166 4.944 497 2HB LYS 70 3HB LYS 70 1.713 24.217 6.053 498 1HG LYS 70 2HG LYS 70 4.042 23.975 7.436 499 2HG LYS 70 3HG LYS 70 4.663 23.697 5.821 500 1HD LYS 70 2HD LYS 70 4.311 25.871 5.163 501 2HD LYS 70 3HD LYS 70 2.774 25.985 5.997 502 1HE LYS 70 2HE LYS 70 3.740 26.705 7.992 503 2HE LYS 70 3HE LYS 70 5.222 25.807 7.729 504 1HZ LYS 70 1HZ LYS 70 4.702 27.914 5.843 505 2HZ LYS 70 2HZ LYS 70 5.015 28.404 7.369 506 3HZ LYS 70 3HZ LYS 70 6.101 27.485 6.568 507 H HIS 71 HN HIS 71 1.669 20.838 8.958 508 HA HIS 71 HA HIS 71 0.035 20.838 10.466 509 1HB HIS 71 2HB HIS 71 1.708 22.160 11.562 510 2HB HIS 71 3HB HIS 71 1.201 23.617 10.730 511 HD1 HIS 71 HD1 HIS 71 -0.403 25.090 11.971 512 HD2 HIS 71 HD2 HIS 71 -0.435 21.147 13.402 513 HE1 HIS 71 HE1 HIS 71 -1.933 25.083 14.013 514 H GLY 72 HN GLY 72 -1.189 21.021 8.035 515 1HA GLY 72 1HA GLY 72 -3.493 22.713 8.669 516 2HA GLY 72 2HA GLY 72 -2.685 22.979 7.137 517 H GLY 73 HN GLY 73 -5.116 22.303 6.601 518 1HA GLY 73 1HA GLY 73 -5.304 20.231 5.014 519 2HA GLY 73 2HA GLY 73 -5.422 19.390 6.547 520 HA PRO 74 HA PRO 74 -9.670 20.457 5.884 521 1HB PRO 74 2HB PRO 74 -10.735 18.420 7.363 522 2HB PRO 74 3HB PRO 74 -10.355 18.270 5.659 523 1HG PRO 74 2HG PRO 74 -8.897 17.176 7.986 524 2HG PRO 74 3HG PRO 74 -8.793 16.700 6.303 525 1HD PRO 74 2HD PRO 74 -6.903 18.297 7.754 526 2HD PRO 74 3HD PRO 74 -6.860 17.918 6.044 527 H LYS 75 HN LYS 75 -8.017 19.916 8.878 528 HA LYS 75 HA LYS 75 -9.300 22.220 9.966 529 1HB LYS 75 2HB LYS 75 -10.311 21.089 11.909 530 2HB LYS 75 3HB LYS 75 -11.092 20.660 10.400 531 1HG LYS 75 2HG LYS 75 -8.876 18.831 10.943 532 2HG LYS 75 3HG LYS 75 -9.963 18.888 12.317 533 1HD LYS 75 2HD LYS 75 -11.898 18.390 10.848 534 2HD LYS 75 3HD LYS 75 -10.864 18.424 9.434 535 1HE LYS 75 2HE LYS 75 -9.604 16.471 10.228 536 2HE LYS 75 3HE LYS 75 -10.442 16.498 11.767 537 1HZ LYS 75 1HZ LYS 75 -12.350 16.433 9.762 538 2HZ LYS 75 2HZ LYS 75 -11.245 15.285 9.407 539 3HZ LYS 75 3HZ LYS 75 -12.002 15.270 10.854 540 H ASP 76 HN ASP 76 -6.629 21.480 9.214 541 HA ASP 76 HA ASP 76 -4.620 21.741 10.005 542 1HB ASP 76 2HB ASP 76 -5.297 21.830 12.908 543 2HB ASP 76 3HB ASP 76 -4.273 22.901 11.973 544 H GLU 77 HN GLU 77 -4.391 19.396 9.450 545 HA GLU 77 HA GLU 77 -4.087 17.804 11.871 546 1HB GLU 77 2HB GLU 77 -6.127 17.298 10.209 547 2HB GLU 77 3HB GLU 77 -4.889 16.461 9.294 548 1HG GLU 77 2HG GLU 77 -4.925 14.713 10.737 549 2HG GLU 77 3HG GLU 77 -4.589 15.770 12.094 550 H GLU 78 HN GLU 78 -2.524 19.391 9.470 551 HA GLU 78 HA GLU 78 -0.560 19.270 8.555 552 1HB GLU 78 2HB GLU 78 0.306 18.825 10.787 553 2HB GLU 78 3HB GLU 78 -0.093 17.123 10.665 554 1HG GLU 78 2HG GLU 78 1.490 17.055 8.609 555 2HG GLU 78 3HG GLU 78 2.036 18.645 9.106 556 H ARG 79 HN ARG 79 0.056 18.475 6.572 557 HA ARG 79 HA ARG 79 -0.004 17.239 4.793 558 1HB ARG 79 2HB ARG 79 0.506 14.994 6.808 559 2HB ARG 79 3HB ARG 79 0.721 14.817 5.078 560 1HG ARG 79 2HG ARG 79 2.455 16.560 5.055 561 2HG ARG 79 3HG ARG 79 2.159 16.937 6.741 562 1HD ARG 79 2HD ARG 79 3.384 14.400 5.584 563 2HD ARG 79 3HD ARG 79 4.111 15.526 6.713 564 HE ARG 79 HE ARG 79 1.932 14.689 8.133 565 1HH1 ARG 79 2HH2 ARG 79 4.374 12.899 6.341 566 2HH1 ARG 79 1HH2 ARG 79 4.267 11.494 7.348 567 1HH2 ARG 79 2HH1 ARG 79 1.790 12.836 9.463 568 2HH2 ARG 79 1HH1 ARG 79 2.787 11.458 9.136 569 H HIS 80 HN HIS 80 -2.208 17.478 4.136 570 HA HIS 80 HA HIS 80 -3.944 15.261 4.952 571 1HB HIS 80 2HB HIS 80 -5.083 17.063 5.777 572 2HB HIS 80 3HB HIS 80 -4.437 18.174 4.585 573 HD1 HIS 80 HD1 HIS 80 -5.969 18.803 2.696 574 HD2 HIS 80 HD2 HIS 80 -7.167 15.271 4.616 575 HE1 HIS 80 HE1 HIS 80 -8.213 18.157 1.669 576 H VAL 81 HN VAL 81 -2.105 16.676 2.436 577 HA VAL 81 HA VAL 81 -3.797 15.397 0.407 578 HB VAL 81 HB VAL 81 -1.751 17.613 0.272 579 1HG1 VAL 81 1HG1 VAL 81 -1.858 17.626 -2.080 580 2HG1 VAL 81 2HG1 VAL 81 -1.647 15.911 -1.651 581 3HG1 VAL 81 3HG1 VAL 81 -3.254 16.522 -2.113 582 1HG2 VAL 81 1HG2 VAL 81 -4.438 17.945 -0.913 583 2HG2 VAL 81 2HG2 VAL 81 -4.415 17.748 0.856 584 3HG2 VAL 81 3HG2 VAL 81 -3.478 19.056 0.094 585 H GLY 82 HN GLY 82 -0.598 15.525 1.966 586 1HA GLY 82 1HA GLY 82 0.509 13.587 0.088 587 2HA GLY 82 2HA GLY 82 1.338 14.400 1.401 588 H ASP 83 HN ASP 83 1.119 13.616 3.600 589 HA ASP 83 HA ASP 83 0.971 10.852 3.734 590 1HB ASP 83 2HB ASP 83 2.119 11.417 5.607 591 2HB ASP 83 3HB ASP 83 1.584 13.081 5.479 592 H LEU 84 HN LEU 84 -1.453 13.311 3.666 593 HA LEU 84 HA LEU 84 -3.621 13.382 4.086 594 1HB LEU 84 2HB LEU 84 -3.784 11.718 2.428 595 2HB LEU 84 3HB LEU 84 -3.244 10.453 3.515 596 HG LEU 84 HG LEU 84 -5.641 11.654 4.573 597 1HD1 LEU 84 1HD1 LEU 84 -5.899 10.622 1.735 598 2HD1 LEU 84 2HD1 LEU 84 -7.231 11.076 2.825 599 3HD1 LEU 84 3HD1 LEU 84 -6.090 12.315 2.250 600 1HD2 LEU 84 1HD2 LEU 84 -5.453 9.557 5.351 601 2HD2 LEU 84 2HD2 LEU 84 -6.323 9.117 3.862 602 3HD2 LEU 84 3HD2 LEU 84 -4.549 8.993 3.925 603 H GLY 85 HN GLY 85 -3.517 10.147 5.575 604 1HA GLY 85 1HA GLY 85 -3.847 11.443 8.216 605 2HA GLY 85 2HA GLY 85 -4.820 10.088 7.679 606 H ASN 86 HN ASN 86 -3.436 9.793 10.041 607 HA ASN 86 HA ASN 86 -0.896 8.620 9.493 608 1HB ASN 86 2HB ASN 86 -2.625 8.916 11.992 609 2HB ASN 86 3HB ASN 86 -1.148 7.973 12.024 610 1HD2 ASN 86 1HD2 ASN 86 0.234 9.146 13.144 611 2HD2 ASN 86 2HD2 ASN 86 0.696 10.785 12.826 612 H VAL 87 HN VAL 87 -0.582 6.300 10.717 613 HA VAL 87 HA VAL 87 -2.901 4.626 10.049 614 HB VAL 87 HB VAL 87 -0.058 3.745 9.638 615 1HG1 VAL 87 1HG1 VAL 87 -2.777 2.727 9.020 616 2HG1 VAL 87 2HG1 VAL 87 -1.549 2.496 7.753 617 3HG1 VAL 87 3HG1 VAL 87 -1.274 1.847 9.387 618 1HG2 VAL 87 1HG2 VAL 87 -0.315 5.801 8.326 619 2HG2 VAL 87 2HG2 VAL 87 -0.231 4.373 7.268 620 3HG2 VAL 87 3HG2 VAL 87 -1.799 5.154 7.586 621 H THR 88 HN THR 88 -2.324 2.253 11.044 622 HA THR 88 HA THR 88 -1.043 2.568 13.641 623 HB THR 88 HB THR 88 -3.980 1.795 13.229 624 HG1 THR 88 1HG THR 88 -2.534 3.900 14.681 625 1HG2 THR 88 1HG2 THR 88 -3.914 0.837 15.300 626 2HG2 THR 88 2HG2 THR 88 -2.147 1.048 15.326 627 3HG2 THR 88 3HG2 THR 88 -3.206 2.327 15.968 628 H ALA 89 HN ALA 89 0.014 0.767 14.305 629 HA ALA 89 HA ALA 89 0.016 -1.430 12.425 630 1HB ALA 89 1HB ALA 89 2.190 -0.976 13.017 631 2HB ALA 89 2HB ALA 89 1.743 -0.402 14.642 632 3HB ALA 89 3HB ALA 89 1.806 -2.148 14.301 633 H ASP 90 HN ASP 90 0.275 -3.722 13.623 634 HA ASP 90 HA ASP 90 -2.234 -4.060 14.920 635 1HB ASP 90 2HB ASP 90 -1.598 -5.768 13.359 636 2HB ASP 90 3HB ASP 90 0.009 -5.911 14.042 637 H LYS 91 HN LYS 91 0.533 -6.083 15.865 638 HA LYS 91 HA LYS 91 0.752 -4.703 18.426 639 1HB LYS 91 2HB LYS 91 -0.883 -6.310 18.979 640 2HB LYS 91 3HB LYS 91 -0.117 -7.564 18.024 641 1HG LYS 91 2HG LYS 91 1.647 -7.866 19.592 642 2HG LYS 91 3HG LYS 91 1.394 -6.297 20.329 643 1HD LYS 91 2HD LYS 91 0.157 -7.351 21.915 644 2HD LYS 91 3HD LYS 91 -1.077 -7.580 20.693 645 1HE LYS 91 2HE LYS 91 0.307 -9.705 19.998 646 2HE LYS 91 3HE LYS 91 1.095 -9.525 21.552 647 1HZ LYS 91 1HZ LYS 91 -1.701 -10.108 20.995 648 2HZ LYS 91 2HZ LYS 91 -0.681 -10.847 22.035 649 3HZ LYS 91 3HZ LYS 91 -1.307 -9.384 22.405 650 H ASP 92 HN ASP 92 2.248 -5.440 15.706 651 HA ASP 92 HA ASP 92 4.739 -5.831 17.087 652 1HB ASP 92 2HB ASP 92 3.426 -7.937 15.597 653 2HB ASP 92 3HB ASP 92 4.853 -7.449 14.704 654 H GLY 93 HN GLY 93 3.097 -3.789 15.430 655 1HA GLY 93 1HA GLY 93 3.899 -2.042 14.158 656 2HA GLY 93 2HA GLY 93 5.271 -3.009 13.654 657 H VAL 94 HN VAL 94 3.555 -5.395 12.964 658 HA VAL 94 HA VAL 94 3.287 -5.051 10.298 659 HB VAL 94 HB VAL 94 1.449 -6.727 12.012 660 1HG1 VAL 94 1HG1 VAL 94 1.056 -6.518 9.492 661 2HG1 VAL 94 2HG1 VAL 94 2.591 -7.395 9.291 662 3HG1 VAL 94 3HG1 VAL 94 1.233 -8.163 10.147 663 1HG2 VAL 94 1HG2 VAL 94 3.304 -7.661 12.857 664 2HG2 VAL 94 2HG2 VAL 94 3.552 -8.356 11.237 665 3HG2 VAL 94 3HG2 VAL 94 4.358 -6.833 11.686 666 H ALA 95 HN ALA 95 2.336 -3.309 9.332 667 HA ALA 95 HA ALA 95 -0.341 -2.579 10.290 668 1HB ALA 95 1HB ALA 95 0.727 -0.662 8.460 669 2HB ALA 95 2HB ALA 95 0.446 -0.479 10.208 670 3HB ALA 95 3HB ALA 95 2.015 -1.076 9.616 671 H ASP 96 HN ASP 96 -1.997 -3.363 9.096 672 HA ASP 96 HA ASP 96 -1.393 -3.983 6.319 673 1HB ASP 96 2HB ASP 96 -2.193 -5.931 7.472 674 2HB ASP 96 3HB ASP 96 -3.440 -5.027 8.308 675 H VAL 97 HN VAL 97 -2.882 -3.204 4.661 676 HA VAL 97 HA VAL 97 -4.665 -1.076 5.623 677 HB VAL 97 HB VAL 97 -3.341 -1.372 2.921 678 1HG1 VAL 97 1HG1 VAL 97 -4.961 0.842 4.210 679 2HG1 VAL 97 2HG1 VAL 97 -3.949 1.083 2.765 680 3HG1 VAL 97 3HG1 VAL 97 -5.317 -0.055 2.714 681 1HG2 VAL 97 1HG2 VAL 97 -2.508 0.233 5.356 682 2HG2 VAL 97 2HG2 VAL 97 -1.582 -1.028 4.508 683 3HG2 VAL 97 3HG2 VAL 97 -1.891 0.534 3.713 684 H SER 98 HN SER 98 -6.606 -0.702 4.119 685 HA SER 98 HA SER 98 -7.456 -2.648 2.384 686 1HB SER 98 2HB SER 98 -9.166 -3.846 3.733 687 2HB SER 98 3HB SER 98 -7.541 -4.183 4.296 688 HG SER 98 HG SER 98 -8.526 -1.973 5.601 689 H ILE 99 HN ILE 99 -8.232 -0.824 1.249 690 HA ILE 99 HA ILE 99 -10.682 0.296 2.338 691 HB ILE 99 HB ILE 99 -8.728 2.217 1.163 692 1HG1 ILE 99 2HG1 ILE 99 -8.678 1.384 4.078 693 2HG1 ILE 99 3HG1 ILE 99 -7.454 0.968 2.895 694 1HG2 ILE 99 1HG2 ILE 99 -10.114 3.316 3.332 695 2HG2 ILE 99 2HG2 ILE 99 -10.442 3.559 1.600 696 3HG2 ILE 99 3HG2 ILE 99 -11.296 2.280 2.497 697 1HD1 ILE 99 1HD1 ILE 99 -7.383 3.223 4.470 698 2HD1 ILE 99 2HD1 ILE 99 -6.532 3.064 2.914 699 3HD1 ILE 99 3HD1 ILE 99 -8.120 3.865 2.982 700 H GLU 100 HN GLU 100 -11.678 1.797 0.495 701 HA GLU 100 HA GLU 100 -11.003 0.640 -2.079 702 1HB GLU 100 2HB GLU 100 -13.601 0.385 -0.610 703 2HB GLU 100 3HB GLU 100 -13.711 0.728 -2.325 704 1HG GLU 100 2HG GLU 100 -12.459 -1.255 -2.908 705 2HG GLU 100 3HG GLU 100 -11.934 -1.501 -1.255 706 H ASP 101 HN ASP 101 -10.369 2.419 -3.232 707 HA ASP 101 HA ASP 101 -11.955 4.829 -2.834 708 1HB ASP 101 2HB ASP 101 -9.145 4.484 -3.984 709 2HB ASP 101 3HB ASP 101 -9.971 6.021 -3.814 710 H SER 102 HN SER 102 -13.263 5.415 -4.579 711 HA SER 102 HA SER 102 -12.552 4.236 -7.152 712 1HB SER 102 2HB SER 102 -15.245 4.894 -7.349 713 2HB SER 102 3HB SER 102 -14.609 3.290 -7.041 714 HG SER 102 HG SER 102 -15.610 5.220 -5.155 715 H VAL 103 HN VAL 103 -11.162 6.232 -7.381 716 HA VAL 103 HA VAL 103 -12.726 8.322 -8.621 717 HB VAL 103 HB VAL 103 -10.966 8.767 -6.210 718 1HG1 VAL 103 1HG1 VAL 103 -10.457 10.349 -8.131 719 2HG1 VAL 103 2HG1 VAL 103 -12.125 10.949 -7.964 720 3HG1 VAL 103 3HG1 VAL 103 -10.981 11.113 -6.610 721 1HG2 VAL 103 1HG2 VAL 103 -13.881 9.056 -6.825 722 2HG2 VAL 103 2HG2 VAL 103 -13.073 8.475 -5.349 723 3HG2 VAL 103 3HG2 VAL 103 -13.135 10.218 -5.702 724 H ILE 104 HN ILE 104 -9.482 7.112 -7.568 725 HA ILE 104 HA ILE 104 -8.284 8.338 -9.902 726 HB ILE 104 HB ILE 104 -6.246 7.936 -8.913 727 1HG1 ILE 104 2HG1 ILE 104 -6.293 5.574 -8.623 728 2HG1 ILE 104 3HG1 ILE 104 -5.889 6.279 -7.071 729 1HG2 ILE 104 1HG2 ILE 104 -8.062 9.297 -7.514 730 2HG2 ILE 104 2HG2 ILE 104 -7.713 8.022 -6.322 731 3HG2 ILE 104 3HG2 ILE 104 -6.396 9.050 -6.937 732 1HD1 ILE 104 1HD1 ILE 104 -7.575 4.483 -6.813 733 2HD1 ILE 104 2HD1 ILE 104 -8.256 6.056 -6.334 734 3HD1 ILE 104 3HD1 ILE 104 -8.674 5.349 -7.913 735 H SER 105 HN SER 105 -6.333 6.456 -10.597 736 HA SER 105 HA SER 105 -7.693 3.996 -11.128 737 1HB SER 105 2HB SER 105 -7.436 6.136 -13.160 738 2HB SER 105 3HB SER 105 -6.811 4.590 -13.698 739 HG SER 105 HG SER 105 -8.950 3.698 -12.847 740 H LEU 106 HN LEU 106 -6.170 2.387 -12.183 741 HA LEU 106 HA LEU 106 -3.498 2.870 -11.193 742 1HB LEU 106 2HB LEU 106 -4.789 0.418 -12.398 743 2HB LEU 106 3HB LEU 106 -3.171 0.485 -11.726 744 HG LEU 106 HG LEU 106 -4.345 -0.428 -9.979 745 1HD1 LEU 106 1HD1 LEU 106 -4.485 1.163 -8.212 746 2HD1 LEU 106 2HD1 LEU 106 -3.178 1.692 -9.299 747 3HD1 LEU 106 3HD1 LEU 106 -4.762 2.502 -9.350 748 1HD2 LEU 106 1HD2 LEU 106 -6.694 1.440 -10.288 749 2HD2 LEU 106 2HD2 LEU 106 -6.562 -0.078 -11.209 750 3HD2 LEU 106 3HD2 LEU 106 -6.603 -0.117 -9.430 751 H SER 107 HN SER 107 -5.219 2.285 -14.305 752 HA SER 107 HA SER 107 -3.002 3.564 -15.616 753 1HB SER 107 2HB SER 107 -3.502 0.677 -15.758 754 2HB SER 107 3HB SER 107 -3.593 1.412 -17.346 755 HG SER 107 HG SER 107 -1.390 0.679 -16.260 756 H GLY 108 HN GLY 108 -4.791 5.200 -15.709 757 1HA GLY 108 1HA GLY 108 -6.424 4.761 -18.098 758 2HA GLY 108 2HA GLY 108 -7.259 5.127 -16.602 759 H ASP 109 HN ASP 109 -7.853 7.247 -16.532 760 HA ASP 109 HA ASP 109 -6.167 9.142 -17.902 761 1HB ASP 109 2HB ASP 109 -8.990 8.901 -17.254 762 2HB ASP 109 3HB ASP 109 -8.393 10.418 -16.612 763 H HIS 110 HN HIS 110 -6.076 7.691 -14.971 764 HA HIS 110 HA HIS 110 -5.355 10.170 -13.586 765 1HB HIS 110 2HB HIS 110 -6.403 7.705 -12.193 766 2HB HIS 110 3HB HIS 110 -6.191 9.316 -11.537 767 HD1 HIS 110 HD1 HIS 110 -7.744 11.189 -13.134 768 HD2 HIS 110 HD2 HIS 110 -9.036 7.226 -12.665 769 HE1 HIS 110 HE1 HIS 110 -10.246 11.189 -13.634 770 H SER 111 HN SER 111 -4.889 6.563 -13.605 771 HA SER 111 HA SER 111 -3.160 5.342 -13.066 772 1HB SER 111 2HB SER 111 -2.557 6.367 -15.345 773 2HB SER 111 3HB SER 111 -1.491 7.459 -14.483 774 HG SER 111 HG SER 111 -1.256 4.659 -13.960 775 H ILE 112 HN ILE 112 -2.981 5.450 -10.796 776 HA ILE 112 HA ILE 112 -1.511 7.683 -9.663 777 HB ILE 112 HB ILE 112 -2.226 6.801 -7.531 778 1HG1 ILE 112 2HG1 ILE 112 -4.029 4.722 -8.458 779 2HG1 ILE 112 3HG1 ILE 112 -2.371 4.335 -8.870 780 1HG2 ILE 112 1HG2 ILE 112 -3.751 8.146 -9.187 781 2HG2 ILE 112 2HG2 ILE 112 -4.697 6.639 -9.218 782 3HG2 ILE 112 3HG2 ILE 112 -4.416 7.481 -7.675 783 1HD1 ILE 112 1HD1 ILE 112 -3.452 3.800 -6.435 784 2HD1 ILE 112 2HD1 ILE 112 -1.718 4.125 -6.669 785 3HD1 ILE 112 3HD1 ILE 112 -2.800 5.426 -6.117 786 H ILE 113 HN ILE 113 -0.832 4.706 -11.103 787 HA ILE 113 HA ILE 113 0.963 3.482 -9.446 788 HB ILE 113 HB ILE 113 0.890 3.787 -12.442 789 1HG1 ILE 113 2HG1 ILE 113 -0.043 1.661 -10.504 790 2HG1 ILE 113 3HG1 ILE 113 -1.013 2.616 -11.607 791 1HG2 ILE 113 1HG2 ILE 113 2.472 1.929 -12.585 792 2HG2 ILE 113 2HG2 ILE 113 3.202 3.340 -11.782 793 3HG2 ILE 113 3HG2 ILE 113 2.665 1.945 -10.815 794 1HD1 ILE 113 1HD1 ILE 113 -0.724 0.419 -12.595 795 2HD1 ILE 113 2HD1 ILE 113 0.264 1.561 -13.539 796 3HD1 ILE 113 3HD1 ILE 113 1.038 0.485 -12.351 797 H GLY 114 HN GLY 114 2.926 3.965 -8.592 798 1HA GLY 114 1HA GLY 114 5.139 4.899 -9.123 799 2HA GLY 114 2HA GLY 114 4.314 6.329 -9.710 800 H ARG 115 HN ARG 115 2.497 5.132 -7.118 801 HA ARG 115 HA ARG 115 3.506 7.227 -5.462 802 1HB ARG 115 2HB ARG 115 1.078 5.473 -5.545 803 2HB ARG 115 3HB ARG 115 1.565 5.995 -3.945 804 1HG ARG 115 2HG ARG 115 1.459 8.350 -4.600 805 2HG ARG 115 3HG ARG 115 1.219 7.926 -6.283 806 1HD ARG 115 2HD ARG 115 -1.010 7.266 -5.951 807 2HD ARG 115 3HD ARG 115 -0.749 6.832 -4.274 808 HE ARG 115 HE ARG 115 -0.319 9.648 -4.549 809 1HH1 ARG 115 2HH2 ARG 115 -2.935 7.297 -4.669 810 2HH1 ARG 115 1HH2 ARG 115 -4.147 8.430 -4.169 811 1HH2 ARG 115 2HH1 ARG 115 -1.917 11.142 -3.889 812 2HH2 ARG 115 1HH1 ARG 115 -3.564 10.631 -3.722 813 H THR 116 HN THR 116 5.635 6.337 -4.917 814 HA THR 116 HA THR 116 6.058 3.795 -3.879 815 HB THR 116 HB THR 116 7.784 5.444 -4.724 816 HG1 THR 116 1HG THR 116 9.250 4.742 -3.015 817 1HG2 THR 116 1HG2 THR 116 8.192 6.662 -2.082 818 2HG2 THR 116 2HG2 THR 116 8.155 7.447 -3.679 819 3HG2 THR 116 3HG2 THR 116 6.639 7.173 -2.787 820 H LEU 117 HN LEU 117 4.916 2.888 -2.272 821 HA LEU 117 HA LEU 117 3.709 4.356 -0.227 822 1HB LEU 117 2HB LEU 117 4.290 1.474 -0.752 823 2HB LEU 117 3HB LEU 117 3.753 1.948 0.847 824 HG LEU 117 HG LEU 117 1.943 1.158 -0.682 825 1HD1 LEU 117 1HD1 LEU 117 1.619 4.023 0.249 826 2HD1 LEU 117 2HD1 LEU 117 0.326 2.831 -0.025 827 3HD1 LEU 117 3HD1 LEU 117 1.501 2.583 1.290 828 1HD2 LEU 117 1HD2 LEU 117 3.075 2.479 -2.663 829 2HD2 LEU 117 2HD2 LEU 117 1.315 2.222 -2.609 830 3HD2 LEU 117 3HD2 LEU 117 2.002 3.786 -2.108 831 H VAL 118 HN VAL 118 5.220 5.815 0.687 832 HA VAL 118 HA VAL 118 7.621 4.712 1.851 833 HB VAL 118 HB VAL 118 6.560 7.515 2.142 834 1HG1 VAL 118 1HG1 VAL 118 8.511 7.865 3.160 835 2HG1 VAL 118 2HG1 VAL 118 8.950 6.155 2.929 836 3HG1 VAL 118 3HG1 VAL 118 9.374 7.359 1.688 837 1HG2 VAL 118 1HG2 VAL 118 6.498 7.603 -0.116 838 2HG2 VAL 118 2HG2 VAL 118 8.269 7.712 0.029 839 3HG2 VAL 118 3HG2 VAL 118 7.498 6.143 -0.307 840 H VAL 119 HN VAL 119 8.120 4.806 4.137 841 HA VAL 119 HA VAL 119 5.781 5.155 5.858 842 HB VAL 119 HB VAL 119 7.639 2.767 5.855 843 1HG1 VAL 119 1HG1 VAL 119 6.570 1.970 7.773 844 2HG1 VAL 119 2HG1 VAL 119 6.765 3.706 8.111 845 3HG1 VAL 119 3HG1 VAL 119 5.187 3.074 7.584 846 1HG2 VAL 119 1HG2 VAL 119 4.940 3.264 4.718 847 2HG2 VAL 119 2HG2 VAL 119 6.211 2.126 4.211 848 3HG2 VAL 119 3HG2 VAL 119 5.157 1.728 5.590 849 H HIS 120 HN HIS 120 6.242 6.405 7.606 850 HA HIS 120 HA HIS 120 8.982 7.231 7.915 851 1HB HIS 120 2HB HIS 120 6.590 8.132 9.529 852 2HB HIS 120 3HB HIS 120 8.120 8.960 9.317 853 HD1 HIS 120 HD1 HIS 120 8.019 10.838 7.685 854 HD2 HIS 120 HD2 HIS 120 5.233 7.833 6.788 855 HE1 HIS 120 HE1 HIS 120 6.715 11.657 5.650 856 H GLU 121 HN GLU 121 10.373 6.611 9.530 857 HA GLU 121 HA GLU 121 9.965 4.287 10.858 858 1HB GLU 121 2HB GLU 121 11.993 6.258 10.688 859 2HB GLU 121 3HB GLU 121 11.694 6.067 12.404 860 1HG GLU 121 2HG GLU 121 11.809 3.497 11.952 861 2HG GLU 121 3HG GLU 121 12.503 3.924 10.400 862 H LYS 122 HN LYS 122 9.210 7.643 11.900 863 HA LYS 122 HA LYS 122 7.842 6.476 14.224 864 1HB LYS 122 2HB LYS 122 9.684 8.803 13.997 865 2HB LYS 122 3HB LYS 122 8.282 9.013 15.027 866 1HG LYS 122 2HG LYS 122 9.357 6.396 15.567 867 2HG LYS 122 3HG LYS 122 10.700 7.521 15.565 868 1HD LYS 122 2HD LYS 122 9.045 9.020 17.036 869 2HD LYS 122 3HD LYS 122 8.258 7.486 17.348 870 1HE LYS 122 2HE LYS 122 9.859 6.939 18.859 871 2HE LYS 122 3HE LYS 122 11.100 7.076 17.629 872 1HZ LYS 122 1HZ LYS 122 10.014 9.332 19.168 873 2HZ LYS 122 2HZ LYS 122 11.447 8.601 19.451 874 3HZ LYS 122 3HZ LYS 122 11.210 9.423 18.060 875 H ALA 123 HN ALA 123 6.016 8.030 15.012 876 HA ALA 123 HA ALA 123 4.464 8.670 12.630 877 1HB ALA 123 1HB ALA 123 3.927 7.437 15.126 878 2HB ALA 123 2HB ALA 123 3.067 8.995 15.146 879 3HB ALA 123 3HB ALA 123 2.766 7.828 13.835 880 H ASP 124 HN ASP 124 2.695 10.571 13.810 881 HA ASP 124 HA ASP 124 4.381 12.699 14.740 882 1HB ASP 124 2HB ASP 124 3.173 14.191 12.901 883 2HB ASP 124 3HB ASP 124 4.654 13.336 12.518 884 H ASP 125 HN ASP 125 3.073 12.839 16.637 885 HA ASP 125 HA ASP 125 0.230 12.819 16.337 886 1HB ASP 125 2HB ASP 125 2.146 13.069 18.685 887 2HB ASP 125 3HB ASP 125 0.429 13.342 18.905 888 H LEU 126 HN LEU 126 1.202 14.953 14.858 889 HA LEU 126 HA LEU 126 1.428 17.176 14.693 890 1HB LEU 126 2HB LEU 126 -1.062 17.167 16.394 891 2HB LEU 126 3HB LEU 126 -0.599 18.338 15.175 892 HG LEU 126 HG LEU 126 -0.647 16.001 13.719 893 1HD1 LEU 126 1HD1 LEU 126 -3.197 15.809 15.257 894 2HD1 LEU 126 2HD1 LEU 126 -2.301 14.565 14.352 895 3HD1 LEU 126 3HD1 LEU 126 -1.731 15.082 15.958 896 1HD2 LEU 126 1HD2 LEU 126 -1.672 18.394 13.404 897 2HD2 LEU 126 2HD2 LEU 126 -2.348 16.995 12.535 898 3HD2 LEU 126 3HD2 LEU 126 -3.158 17.613 13.994 899 H GLY 127 HN GLY 127 3.440 16.927 16.133 900 1HA GLY 127 1HA GLY 127 3.087 18.046 18.811 901 2HA GLY 127 2HA GLY 127 4.542 17.348 18.129 902 H LYS 128 HN LYS 128 4.778 18.736 15.673 903 HA LYS 128 HA LYS 128 5.904 20.549 15.013 904 1HB LYS 128 2HB LYS 128 4.496 22.448 14.687 905 2HB LYS 128 3HB LYS 128 3.495 21.016 14.553 906 1HG LYS 128 2HG LYS 128 2.463 21.371 16.658 907 2HG LYS 128 3HG LYS 128 3.769 22.381 17.244 908 1HD LYS 128 2HD LYS 128 3.056 24.268 16.001 909 2HD LYS 128 3HD LYS 128 2.161 23.299 14.847 910 1HE LYS 128 2HE LYS 128 0.365 24.039 16.100 911 2HE LYS 128 3HE LYS 128 0.760 22.626 17.059 912 1HZ LYS 128 1HZ LYS 128 2.292 24.908 17.779 913 2HZ LYS 128 2HZ LYS 128 0.688 25.152 17.964 914 3HZ LYS 128 3HZ LYS 128 1.417 23.904 18.724 915 H GLY 129 HN GLY 129 6.497 19.650 17.787 916 1HA GLY 129 1HA GLY 129 6.656 21.492 19.736 917 2HA GLY 129 2HA GLY 129 7.956 20.378 19.359 918 H GLY 130 HN GLY 130 8.679 21.386 16.741 919 1HA GLY 130 1HA GLY 130 9.992 23.883 17.578 920 2HA GLY 130 2HA GLY 130 10.537 22.774 16.336 921 H ASN 131 HN ASN 131 10.533 23.953 14.449 922 HA ASN 131 HA ASN 131 7.964 24.819 13.532 923 1HB ASN 131 2HB ASN 131 8.855 27.101 12.870 924 2HB ASN 131 3HB ASN 131 8.721 26.888 14.604 925 1HD2 ASN 131 1HD2 ASN 131 10.557 26.569 15.866 926 2HD2 ASN 131 2HD2 ASN 131 12.150 26.987 15.329 927 H GLU 132 HN GLU 132 7.896 24.709 11.211 928 HA GLU 132 HA GLU 132 8.500 24.123 9.211 929 1HB GLU 132 2HB GLU 132 10.281 26.118 9.908 930 2HB GLU 132 3HB GLU 132 11.377 24.843 9.415 931 1HG GLU 132 2HG GLU 132 10.901 25.206 7.228 932 2HG GLU 132 3HG GLU 132 9.190 24.956 7.516 933 H GLN 133 HN GLN 133 8.959 22.292 11.602 934 HA GLN 133 HA GLN 133 10.652 20.424 10.156 935 1HB GLN 133 2HB GLN 133 11.247 21.622 12.720 936 2HB GLN 133 3HB GLN 133 10.957 19.910 12.963 937 1HG GLN 133 2HG GLN 133 13.346 20.330 12.459 938 2HG GLN 133 3HG GLN 133 12.613 19.344 11.209 939 1HE2 GLN 133 1HE2 GLN 133 13.085 19.880 9.230 940 2HE2 GLN 133 2HE2 GLN 133 13.484 21.454 8.627 941 H SER 134 HN SER 134 8.989 20.268 13.371 942 HA SER 134 HA SER 134 7.787 17.823 12.623 943 1HB SER 134 2HB SER 134 6.515 18.399 14.921 944 2HB SER 134 3HB SER 134 8.166 17.813 14.895 945 HG SER 134 HG SER 134 7.706 19.802 16.220 946 H THR 135 HN THR 135 6.897 21.245 12.578 947 HA THR 135 HA THR 135 4.172 21.193 12.708 948 HB THR 135 HB THR 135 4.406 23.192 11.094 949 HG1 THR 135 1HG THR 135 6.466 23.416 10.201 950 1HG2 THR 135 1HG2 THR 135 6.127 22.844 13.573 951 2HG2 THR 135 2HG2 THR 135 6.277 24.326 12.597 952 3HG2 THR 135 3HG2 THR 135 4.715 23.901 13.337 953 H LYS 136 HN LYS 136 6.257 19.940 10.124 954 HA LYS 136 HA LYS 136 3.858 19.415 8.533 955 1HB LYS 136 2HB LYS 136 5.689 18.768 6.806 956 2HB LYS 136 3HB LYS 136 5.367 20.459 7.131 957 1HG LYS 136 2HG LYS 136 7.293 20.618 8.626 958 2HG LYS 136 3HG LYS 136 7.541 18.884 8.582 959 1HD LYS 136 2HD LYS 136 8.562 18.937 6.513 960 2HD LYS 136 3HD LYS 136 7.515 20.205 5.906 961 1HE LYS 136 2HE LYS 136 8.764 21.887 7.290 962 2HE LYS 136 3HE LYS 136 9.819 20.615 7.874 963 1HZ LYS 136 1HZ LYS 136 9.554 20.818 5.013 964 2HZ LYS 136 2HZ LYS 136 10.347 22.044 5.744 965 3HZ LYS 136 3HZ LYS 136 10.878 20.509 5.918 966 H THR 137 HN THR 137 6.397 17.953 10.509 967 HA THR 137 HA THR 137 5.177 15.330 9.952 968 HB THR 137 HB THR 137 7.458 14.374 10.188 969 HG1 THR 137 1HG THR 137 8.217 17.201 10.303 970 1HG2 THR 137 1HG2 THR 137 7.141 14.972 7.888 971 2HG2 THR 137 2HG2 THR 137 7.162 16.713 8.255 972 3HG2 THR 137 3HG2 THR 137 8.670 15.770 8.330 973 H GLY 138 HN GLY 138 7.762 15.692 12.283 974 1HA GLY 138 1HA GLY 138 6.360 16.449 14.554 975 2HA GLY 138 2HA GLY 138 6.122 14.721 14.382 976 H ASN 139 HN ASN 139 9.036 16.524 13.287 977 HA ASN 139 HA ASN 139 11.149 16.025 13.653 978 1HB ASN 139 2HB ASN 139 10.157 17.575 15.657 979 2HB ASN 139 3HB ASN 139 10.687 16.217 16.630 980 1HD2 ASN 139 1HD2 ASN 139 11.896 18.440 17.191 981 2HD2 ASN 139 2HD2 ASN 139 13.507 18.543 16.563 982 H ALA 140 HN ALA 140 9.481 13.610 13.584 983 HA ALA 140 HA ALA 140 10.602 11.962 15.723 984 1HB ALA 140 1HB ALA 140 8.078 12.113 14.430 985 2HB ALA 140 2HB ALA 140 8.816 10.577 13.918 986 3HB ALA 140 3HB ALA 140 8.608 10.931 15.650 987 H GLY 141 HN GLY 141 10.061 11.853 12.124 988 1HA GLY 141 1HA GLY 141 12.770 11.056 11.649 989 2HA GLY 141 2HA GLY 141 11.656 9.710 11.519 990 H SER 142 HN SER 142 11.485 9.348 9.324 991 HA SER 142 HA SER 142 9.924 11.066 7.827 992 1HB SER 142 2HB SER 142 11.343 12.335 6.555 993 2HB SER 142 3HB SER 142 12.416 12.142 7.927 994 HG SER 142 HG SER 142 12.624 11.110 5.341 995 H ARG 143 HN ARG 143 10.736 10.387 5.193 996 HA ARG 143 HA ARG 143 9.670 8.030 4.763 997 1HB ARG 143 2HB ARG 143 12.134 9.103 3.297 998 2HB ARG 143 3HB ARG 143 11.041 7.894 2.653 999 1HG ARG 143 2HG ARG 143 9.480 9.453 2.065 1000 2HG ARG 143 3HG ARG 143 9.593 10.277 3.608 1001 1HD ARG 143 2HD ARG 143 10.388 11.888 2.047 1002 2HD ARG 143 3HD ARG 143 11.854 11.238 2.753 1003 HE ARG 143 HE ARG 143 11.090 9.703 0.421 1004 1HH1 ARG 143 2HH2 ARG 143 12.563 12.749 1.388 1005 2HH1 ARG 143 1HH2 ARG 143 13.477 12.918 -0.074 1006 1HH2 ARG 143 2HH1 ARG 143 12.296 9.925 -1.507 1007 2HH2 ARG 143 1HH1 ARG 143 13.325 11.300 -1.731 1008 H LEU 144 HN LEU 144 10.356 5.796 4.532 1009 HA LEU 144 HA LEU 144 13.044 5.061 5.112 1010 1HB LEU 144 2HB LEU 144 11.258 5.407 7.316 1011 2HB LEU 144 3HB LEU 144 11.586 3.696 7.133 1012 HG LEU 144 HG LEU 144 13.236 4.366 8.601 1013 1HD1 LEU 144 1HD1 LEU 144 15.016 3.564 7.533 1014 2HD1 LEU 144 2HD1 LEU 144 14.033 3.606 6.049 1015 3HD1 LEU 144 3HD1 LEU 144 15.099 4.974 6.450 1016 1HD2 LEU 144 1HD2 LEU 144 14.061 6.448 8.890 1017 2HD2 LEU 144 2HD2 LEU 144 14.245 6.743 7.144 1018 3HD2 LEU 144 3HD2 LEU 144 12.646 6.901 7.910 1019 H ALA 145 HN ALA 145 10.922 4.794 3.036 1020 HA ALA 145 HA ALA 145 11.284 2.032 2.544 1021 1HB ALA 145 1HB ALA 145 9.122 2.601 4.218 1022 2HB ALA 145 2HB ALA 145 8.387 2.464 2.603 1023 3HB ALA 145 3HB ALA 145 9.350 1.119 3.259 1024 H CYS 146 HN CYS 146 10.009 1.428 0.447 1025 HA CYS 146 HA CYS 146 9.216 3.706 -1.109 1026 1HB CYS 146 2HB CYS 146 11.147 2.339 -2.720 1027 2HB CYS 146 3HB CYS 146 11.035 4.041 -2.316 1028 H GLY 147 HN GLY 147 7.280 2.218 -0.722 1029 1HA GLY 147 1HA GLY 147 7.355 -0.325 -2.142 1030 2HA GLY 147 2HA GLY 147 6.049 0.322 -1.169 1031 H VAL 148 HN VAL 148 7.845 0.926 -4.264 1032 HA VAL 148 HA VAL 148 5.852 2.580 -5.357 1033 HB VAL 148 HB VAL 148 8.175 1.010 -6.444 1034 1HG1 VAL 148 1HG1 VAL 148 7.800 2.119 -8.635 1035 2HG1 VAL 148 2HG1 VAL 148 6.517 0.957 -8.218 1036 3HG1 VAL 148 3HG1 VAL 148 6.227 2.705 -8.043 1037 1HG2 VAL 148 1HG2 VAL 148 9.285 3.047 -6.561 1038 2HG2 VAL 148 2HG2 VAL 148 7.775 3.989 -6.605 1039 3HG2 VAL 148 3HG2 VAL 148 8.311 3.237 -5.084 1040 H ILE 149 HN ILE 149 4.041 2.141 -6.596 1041 HA ILE 149 HA ILE 149 2.991 -0.496 -6.359 1042 HB ILE 149 HB ILE 149 2.063 2.145 -7.369 1043 1HG1 ILE 149 2HG1 ILE 149 0.064 0.901 -5.903 1044 2HG1 ILE 149 3HG1 ILE 149 1.530 0.315 -5.143 1045 1HG2 ILE 149 1HG2 ILE 149 1.456 0.614 -9.189 1046 2HG2 ILE 149 2HG2 ILE 149 0.642 -0.452 -8.019 1047 3HG2 ILE 149 3HG2 ILE 149 0.026 1.194 -8.302 1048 1HD1 ILE 149 1HD1 ILE 149 2.236 2.460 -4.508 1049 2HD1 ILE 149 2HD1 ILE 149 1.312 3.257 -5.804 1050 3HD1 ILE 149 3HD1 ILE 149 0.468 2.617 -4.374 1051 H GLY 150 HN GLY 150 3.659 -2.158 -7.602 1052 1HA GLY 150 1HA GLY 150 4.282 -1.557 -10.434 1053 2HA GLY 150 2HA GLY 150 5.161 -2.723 -9.465 1054 H ILE 151 HN ILE 151 2.604 -2.296 -11.672 1055 HA ILE 151 HA ILE 151 0.592 -3.918 -10.987 1056 HB ILE 151 HB ILE 151 2.030 -3.647 -13.620 1057 1HG1 ILE 151 2HG1 ILE 151 0.901 -1.652 -12.534 1058 2HG1 ILE 151 3HG1 ILE 151 0.399 -2.043 -14.167 1059 1HG2 ILE 151 1HG2 ILE 151 0.934 -5.759 -13.764 1060 2HG2 ILE 151 2HG2 ILE 151 -0.544 -5.116 -13.008 1061 3HG2 ILE 151 3HG2 ILE 151 -0.068 -4.575 -14.636 1062 1HD1 ILE 151 1HD1 ILE 151 -1.457 -1.540 -12.410 1063 2HD1 ILE 151 2HD1 ILE 151 -1.672 -2.965 -13.454 1064 3HD1 ILE 151 3HD1 ILE 151 -1.104 -3.167 -11.779 1065 H ALA 152 HN ALA 152 0.113 -6.134 -10.886 1066 HA ALA 152 HA ALA 152 2.505 -7.820 -10.716 1067 1HB ALA 152 1HB ALA 152 0.661 -7.362 -8.815 1068 2HB ALA 152 2HB ALA 152 -0.160 -8.691 -9.668 1069 3HB ALA 152 3HB ALA 152 1.469 -8.938 -8.994 1070 H GLN 153 HN GLN 153 2.017 -10.221 -11.313 1071 HA GLN 153 HA GLN 153 -0.005 -10.550 -13.283 1072 1HB GLN 153 2HB GLN 153 2.215 -9.428 -14.326 1073 2HB GLN 153 3HB GLN 153 2.749 -11.097 -14.359 1074 1HG GLN 153 2HG GLN 153 0.521 -11.663 -15.525 1075 2HG GLN 153 3HG GLN 153 0.258 -9.938 -15.683 1076 1HE2 GLN 153 1HE2 GLN 153 1.780 -12.702 -16.918 1077 2HE2 GLN 153 2HE2 GLN 153 2.725 -11.979 -18.177 Start of MODEL 24 1 1H ALA 1 HN ALA 1 -9.897 -7.608 -11.805 2 HA ALA 1 HA ALA 1 -7.894 -8.976 -11.782 3 1HB ALA 1 1HB ALA 1 -8.289 -9.453 -13.943 4 2HB ALA 1 2HB ALA 1 -9.284 -7.980 -14.029 5 3HB ALA 1 3HB ALA 1 -7.560 -7.916 -14.468 6 H THR 2 HN THR 2 -7.532 -5.517 -11.958 7 HA THR 2 HA THR 2 -4.701 -5.625 -12.541 8 HB THR 2 HB THR 2 -6.868 -3.572 -12.198 9 HG1 THR 2 1HG THR 2 -6.093 -3.290 -14.267 10 1HG2 THR 2 1HG2 THR 2 -3.976 -3.174 -11.401 11 2HG2 THR 2 2HG2 THR 2 -4.771 -1.901 -12.358 12 3HG2 THR 2 3HG2 THR 2 -5.433 -2.368 -10.773 13 H LYS 3 HN LYS 3 -4.093 -7.119 -10.815 14 HA LYS 3 HA LYS 3 -4.288 -5.984 -8.144 15 1HB LYS 3 2HB LYS 3 -4.876 -8.339 -8.451 16 2HB LYS 3 3HB LYS 3 -3.296 -8.676 -9.129 17 1HG LYS 3 2HG LYS 3 -2.864 -7.321 -6.631 18 2HG LYS 3 3HG LYS 3 -4.074 -8.554 -6.341 19 1HD LYS 3 2HD LYS 3 -1.691 -9.355 -7.991 20 2HD LYS 3 3HD LYS 3 -1.411 -9.074 -6.284 21 1HE LYS 3 2HE LYS 3 -3.057 -10.745 -5.644 22 2HE LYS 3 3HE LYS 3 -3.660 -10.875 -7.285 23 1HZ LYS 3 1HZ LYS 3 -2.130 -12.650 -6.673 24 2HZ LYS 3 2HZ LYS 3 -1.583 -11.800 -7.956 25 3HZ LYS 3 3HZ LYS 3 -0.920 -11.570 -6.481 26 H ALA 4 HN ALA 4 -2.855 -4.306 -7.917 27 HA ALA 4 HA ALA 4 -0.217 -4.555 -9.068 28 1HB ALA 4 1HB ALA 4 -1.989 -2.455 -8.405 29 2HB ALA 4 2HB ALA 4 -0.607 -2.288 -7.296 30 3HB ALA 4 3HB ALA 4 -0.338 -2.311 -9.056 31 H VAL 5 HN VAL 5 1.755 -4.521 -7.822 32 HA VAL 5 HA VAL 5 1.347 -5.431 -5.057 33 HB VAL 5 HB VAL 5 3.615 -6.230 -6.877 34 1HG1 VAL 5 1HG1 VAL 5 4.406 -6.924 -4.886 35 2HG1 VAL 5 2HG1 VAL 5 2.814 -6.800 -4.099 36 3HG1 VAL 5 3HG1 VAL 5 3.224 -8.245 -5.055 37 1HG2 VAL 5 1HG2 VAL 5 1.727 -8.367 -6.420 38 2HG2 VAL 5 2HG2 VAL 5 0.911 -6.984 -7.189 39 3HG2 VAL 5 3HG2 VAL 5 2.343 -7.712 -7.956 40 H ALA 6 HN ALA 6 2.963 -4.753 -3.501 41 HA ALA 6 HA ALA 6 4.931 -2.839 -4.359 42 1HB ALA 6 1HB ALA 6 3.815 -1.242 -2.506 43 2HB ALA 6 2HB ALA 6 3.372 -1.153 -4.228 44 3HB ALA 6 3HB ALA 6 2.338 -2.047 -3.088 45 H VAL 7 HN VAL 7 6.358 -4.436 -3.470 46 HA VAL 7 HA VAL 7 5.997 -5.158 -0.700 47 HB VAL 7 HB VAL 7 6.734 -6.818 -2.286 48 1HG1 VAL 7 1HG1 VAL 7 8.083 -6.307 -3.985 49 2HG1 VAL 7 2HG1 VAL 7 8.370 -4.692 -3.294 50 3HG1 VAL 7 3HG1 VAL 7 9.422 -6.054 -2.840 51 1HG2 VAL 7 1HG2 VAL 7 9.306 -6.553 -0.904 52 2HG2 VAL 7 2HG2 VAL 7 7.906 -6.308 0.168 53 3HG2 VAL 7 3HG2 VAL 7 8.056 -7.813 -0.770 54 H LEU 8 HN LEU 8 6.447 -3.627 0.808 55 HA LEU 8 HA LEU 8 8.054 -1.417 0.366 56 1HB LEU 8 2HB LEU 8 7.118 -2.814 2.863 57 2HB LEU 8 3HB LEU 8 8.093 -1.359 2.923 58 HG LEU 8 HG LEU 8 5.536 -1.149 3.117 59 1HD1 LEU 8 1HD1 LEU 8 5.960 0.825 1.146 60 2HD1 LEU 8 2HD1 LEU 8 6.123 0.979 2.912 61 3HD1 LEU 8 3HD1 LEU 8 7.535 0.536 1.922 62 1HD2 LEU 8 1HD2 LEU 8 4.830 -2.546 1.308 63 2HD2 LEU 8 2HD2 LEU 8 4.378 -0.869 0.918 64 3HD2 LEU 8 3HD2 LEU 8 5.794 -1.614 0.137 65 H LYS 9 HN LYS 9 10.224 -1.026 0.429 66 HA LYS 9 HA LYS 9 11.971 -2.780 1.855 67 1HB LYS 9 2HB LYS 9 11.605 -4.142 -0.146 68 2HB LYS 9 3HB LYS 9 12.050 -2.797 -1.177 69 1HG LYS 9 2HG LYS 9 14.331 -2.816 -0.409 70 2HG LYS 9 3HG LYS 9 13.945 -3.827 0.969 71 1HD LYS 9 2HD LYS 9 13.414 -5.728 -0.544 72 2HD LYS 9 3HD LYS 9 13.721 -4.721 -1.945 73 1HE LYS 9 2HE LYS 9 16.022 -4.506 -0.230 74 2HE LYS 9 3HE LYS 9 15.623 -6.208 -0.345 75 1HZ LYS 9 1HZ LYS 9 15.360 -5.170 -2.874 76 2HZ LYS 9 2HZ LYS 9 16.757 -4.556 -2.290 77 3HZ LYS 9 3HZ LYS 9 16.531 -6.173 -2.333 78 H GLY 10 HN GLY 10 13.734 -1.636 2.537 79 1HA GLY 10 1HA GLY 10 15.039 0.360 1.096 80 2HA GLY 10 2HA GLY 10 13.819 1.150 2.076 81 H ASP 11 HN ASP 11 14.008 1.208 4.365 82 HA ASP 11 HA ASP 11 16.364 1.488 5.469 83 1HB ASP 11 2HB ASP 11 14.192 1.851 6.629 84 2HB ASP 11 3HB ASP 11 13.969 0.120 6.783 85 H GLY 12 HN GLY 12 14.453 -1.611 5.797 86 1HA GLY 12 1HA GLY 12 16.214 -3.468 4.991 87 2HA GLY 12 2HA GLY 12 16.831 -3.071 6.583 88 HA PRO 13 HA PRO 13 13.573 -5.256 8.477 89 1HB PRO 13 2HB PRO 13 12.434 -3.634 10.359 90 2HB PRO 13 3HB PRO 13 13.971 -4.443 10.594 91 1HG PRO 13 2HG PRO 13 13.446 -1.593 10.008 92 2HG PRO 13 3HG PRO 13 14.898 -2.331 10.656 93 1HD PRO 13 2HD PRO 13 14.490 -1.420 7.967 94 2HD PRO 13 3HD PRO 13 15.896 -2.263 8.587 95 H VAL 14 HN VAL 14 12.394 -2.113 7.484 96 HA VAL 14 HA VAL 14 9.689 -2.877 7.456 97 HB VAL 14 HB VAL 14 11.347 -0.668 6.305 98 1HG1 VAL 14 1HG1 VAL 14 9.150 0.336 5.461 99 2HG1 VAL 14 2HG1 VAL 14 9.870 -0.966 4.484 100 3HG1 VAL 14 3HG1 VAL 14 8.489 -1.314 5.551 101 1HG2 VAL 14 1HG2 VAL 14 9.918 0.723 7.719 102 2HG2 VAL 14 2HG2 VAL 14 8.938 -0.698 8.155 103 3HG2 VAL 14 3HG2 VAL 14 10.639 -0.599 8.667 104 H GLN 15 HN GLN 15 9.320 -4.848 6.424 105 HA GLN 15 HA GLN 15 9.992 -4.823 3.584 106 1HB GLN 15 2HB GLN 15 9.671 -7.305 5.323 107 2HB GLN 15 3HB GLN 15 10.229 -7.250 3.663 108 1HG GLN 15 2HG GLN 15 12.354 -6.630 4.261 109 2HG GLN 15 3HG GLN 15 11.789 -5.491 5.467 110 1HE2 GLN 15 1HE2 GLN 15 10.302 -6.965 7.153 111 2HE2 GLN 15 2HE2 GLN 15 11.244 -8.179 7.953 112 H GLY 16 HN GLY 16 7.638 -3.595 4.653 113 1HA GLY 16 1HA GLY 16 5.374 -5.144 4.865 114 2HA GLY 16 2HA GLY 16 5.431 -3.512 4.231 115 H ILE 17 HN ILE 17 3.584 -5.451 3.268 116 HA ILE 17 HA ILE 17 4.470 -5.567 0.500 117 HB ILE 17 HB ILE 17 3.577 -7.946 2.119 118 1HG1 ILE 17 2HG1 ILE 17 5.951 -7.725 0.267 119 2HG1 ILE 17 3HG1 ILE 17 6.043 -7.212 1.940 120 1HG2 ILE 17 1HG2 ILE 17 4.002 -8.778 -0.518 121 2HG2 ILE 17 2HG2 ILE 17 2.454 -8.698 0.357 122 3HG2 ILE 17 3HG2 ILE 17 2.981 -7.325 -0.646 123 1HD1 ILE 17 1HD1 ILE 17 6.653 -9.417 2.243 124 2HD1 ILE 17 2HD1 ILE 17 4.889 -9.638 2.324 125 3HD1 ILE 17 3HD1 ILE 17 5.759 -9.970 0.807 126 H ILE 18 HN ILE 18 3.025 -4.068 -0.254 127 HA ILE 18 HA ILE 18 0.224 -4.484 0.516 128 HB ILE 18 HB ILE 18 0.626 -2.356 1.173 129 1HG1 ILE 18 2HG1 ILE 18 -0.091 -2.115 -1.759 130 2HG1 ILE 18 3HG1 ILE 18 -1.186 -2.201 -0.393 131 1HG2 ILE 18 1HG2 ILE 18 2.610 -2.088 -1.100 132 2HG2 ILE 18 2HG2 ILE 18 2.162 -0.771 0.010 133 3HG2 ILE 18 3HG2 ILE 18 2.961 -2.231 0.639 134 1HD1 ILE 18 1HD1 ILE 18 -0.081 -0.048 0.482 135 2HD1 ILE 18 2HD1 ILE 18 0.715 0.068 -1.106 136 3HD1 ILE 18 3HD1 ILE 18 -1.061 0.121 -0.995 137 H ASN 19 HN ASN 19 -1.399 -4.039 -1.251 138 HA ASN 19 HA ASN 19 -0.347 -4.359 -3.899 139 1HB ASN 19 2HB ASN 19 -2.498 -6.330 -3.082 140 2HB ASN 19 3HB ASN 19 -1.336 -6.456 -4.388 141 1HD2 ASN 19 1HD2 ASN 19 -1.601 -6.321 -0.853 142 2HD2 ASN 19 2HD2 ASN 19 -0.284 -7.385 -0.486 143 H PHE 20 HN PHE 20 -2.166 -4.060 -5.543 144 HA PHE 20 HA PHE 20 -4.545 -2.856 -4.325 145 1HB PHE 20 2HB PHE 20 -2.797 -1.927 -6.681 146 2HB PHE 20 3HB PHE 20 -4.340 -1.193 -6.289 147 HD1 PHE 20 1HD PHE 20 -1.156 -2.071 -4.533 148 HD2 PHE 20 2HD PHE 20 -4.268 0.761 -5.082 149 HE1 PHE 20 1HE PHE 20 -0.006 -0.500 -2.948 150 HE2 PHE 20 2HE PHE 20 -3.118 2.332 -3.498 151 HZ PHE 20 HZ PHE 20 -1.001 1.682 -2.449 152 H GLU 21 HN GLU 21 -6.170 -4.262 -4.848 153 HA GLU 21 HA GLU 21 -6.046 -5.495 -7.465 154 1HB GLU 21 2HB GLU 21 -6.414 -7.001 -5.567 155 2HB GLU 21 3HB GLU 21 -7.786 -6.056 -5.025 156 1HG GLU 21 2HG GLU 21 -9.139 -6.722 -6.875 157 2HG GLU 21 3HG GLU 21 -7.757 -7.230 -7.825 158 H GLN 22 HN GLN 22 -7.871 -5.418 -8.947 159 HA GLN 22 HA GLN 22 -9.937 -3.528 -8.275 160 1HB GLN 22 2HB GLN 22 -8.062 -2.200 -9.329 161 2HB GLN 22 3HB GLN 22 -8.230 -3.173 -10.777 162 1HG GLN 22 2HG GLN 22 -10.813 -2.447 -10.542 163 2HG GLN 22 3HG GLN 22 -10.118 -1.113 -9.643 164 1HE2 GLN 22 1HE2 GLN 22 -10.842 0.297 -11.266 165 2HE2 GLN 22 2HE2 GLN 22 -9.999 0.490 -12.767 166 H LYS 23 HN LYS 23 -11.259 -5.470 -8.302 167 HA LYS 23 HA LYS 23 -11.343 -7.052 -10.683 168 1HB LYS 23 2HB LYS 23 -12.237 -7.255 -7.971 169 2HB LYS 23 3HB LYS 23 -13.623 -7.485 -9.018 170 1HG LYS 23 2HG LYS 23 -12.002 -9.062 -10.395 171 2HG LYS 23 3HG LYS 23 -11.041 -9.074 -8.930 172 1HD LYS 23 2HD LYS 23 -12.750 -10.119 -7.654 173 2HD LYS 23 3HD LYS 23 -14.015 -9.636 -8.766 174 1HE LYS 23 2HE LYS 23 -13.161 -11.206 -10.480 175 2HE LYS 23 3HE LYS 23 -11.806 -11.632 -9.455 176 1HZ LYS 23 1HZ LYS 23 -13.084 -12.966 -8.252 177 2HZ LYS 23 2HZ LYS 23 -14.336 -11.920 -8.173 178 3HZ LYS 23 3HZ LYS 23 -14.162 -12.888 -9.477 179 H GLU 24 HN GLU 24 -11.581 -4.664 -11.762 180 HA GLU 24 HA GLU 24 -14.275 -4.696 -12.690 181 1HB GLU 24 2HB GLU 24 -13.419 -2.722 -10.709 182 2HB GLU 24 3HB GLU 24 -13.898 -1.933 -12.198 183 1HG GLU 24 2HG GLU 24 -15.684 -4.137 -11.206 184 2HG GLU 24 3HG GLU 24 -15.679 -2.651 -10.277 185 H SER 25 HN SER 25 -11.060 -3.055 -12.607 186 HA SER 25 HA SER 25 -9.696 -2.539 -14.230 187 1HB SER 25 2HB SER 25 -11.422 -4.408 -15.550 188 2HB SER 25 3HB SER 25 -11.179 -3.074 -16.661 189 HG SER 25 HG SER 25 -9.301 -4.939 -15.625 190 H ASN 26 HN ASN 26 -12.633 -1.219 -13.551 191 HA ASN 26 HA ASN 26 -11.940 1.229 -14.748 192 1HB ASN 26 2HB ASN 26 -13.609 -0.495 -16.316 193 2HB ASN 26 3HB ASN 26 -14.676 0.731 -15.659 194 1HD2 ASN 26 1HD2 ASN 26 -13.603 3.009 -15.655 195 2HD2 ASN 26 2HD2 ASN 26 -12.910 3.515 -17.160 196 H GLY 27 HN GLY 27 -12.527 -0.015 -12.109 197 1HA GLY 27 1HA GLY 27 -14.735 1.747 -11.285 198 2HA GLY 27 2HA GLY 27 -14.775 0.051 -10.844 199 HA PRO 28 HA PRO 28 -12.490 1.863 -7.470 200 1HB PRO 28 2HB PRO 28 -13.450 0.205 -5.520 201 2HB PRO 28 3HB PRO 28 -14.210 1.726 -5.945 202 1HG PRO 28 2HG PRO 28 -15.074 -1.025 -6.598 203 2HG PRO 28 3HG PRO 28 -16.009 0.457 -6.634 204 1HD PRO 28 2HD PRO 28 -14.924 -0.943 -8.890 205 2HD PRO 28 3HD PRO 28 -15.758 0.598 -8.915 206 H VAL 29 HN VAL 29 -10.719 1.211 -6.090 207 HA VAL 29 HA VAL 29 -9.694 -1.386 -7.011 208 HB VAL 29 HB VAL 29 -8.138 1.137 -6.406 209 1HG1 VAL 29 1HG1 VAL 29 -6.177 -0.015 -6.951 210 2HG1 VAL 29 2HG1 VAL 29 -7.087 -1.194 -5.976 211 3HG1 VAL 29 3HG1 VAL 29 -7.058 -1.340 -7.749 212 1HG2 VAL 29 1HG2 VAL 29 -8.361 -0.137 -9.127 213 2HG2 VAL 29 2HG2 VAL 29 -9.600 1.008 -8.559 214 3HG2 VAL 29 3HG2 VAL 29 -7.902 1.527 -8.689 215 H LYS 30 HN LYS 30 -9.710 -2.827 -5.371 216 HA LYS 30 HA LYS 30 -9.914 -1.907 -2.673 217 1HB LYS 30 2HB LYS 30 -10.210 -4.437 -4.150 218 2HB LYS 30 3HB LYS 30 -9.508 -4.630 -2.556 219 1HG LYS 30 2HG LYS 30 -11.515 -2.869 -1.955 220 2HG LYS 30 3HG LYS 30 -12.244 -3.682 -3.325 221 1HD LYS 30 2HD LYS 30 -11.900 -5.885 -2.251 222 2HD LYS 30 3HD LYS 30 -11.054 -5.133 -0.914 223 1HE LYS 30 2HE LYS 30 -13.072 -3.952 -0.200 224 2HE LYS 30 3HE LYS 30 -13.933 -4.432 -1.649 225 1HZ LYS 30 1HZ LYS 30 -14.481 -6.303 -0.661 226 2HZ LYS 30 2HZ LYS 30 -12.924 -6.703 -0.375 227 3HZ LYS 30 3HZ LYS 30 -13.753 -5.815 0.717 228 H VAL 31 HN VAL 31 -8.085 -0.834 -1.978 229 HA VAL 31 HA VAL 31 -5.508 -2.063 -2.502 230 HB VAL 31 HB VAL 31 -6.239 0.500 -1.070 231 1HG1 VAL 31 1HG1 VAL 31 -3.893 1.127 -1.468 232 2HG1 VAL 31 2HG1 VAL 31 -4.017 -0.341 -0.469 233 3HG1 VAL 31 3HG1 VAL 31 -3.588 -0.471 -2.191 234 1HG2 VAL 31 1HG2 VAL 31 -5.798 -0.145 -3.970 235 2HG2 VAL 31 2HG2 VAL 31 -6.987 0.942 -3.210 236 3HG2 VAL 31 3HG2 VAL 31 -5.282 1.437 -3.338 237 H TRP 32 HN TRP 32 -4.141 -2.919 -0.902 238 HA TRP 32 HA TRP 32 -4.796 -2.767 1.848 239 1HB TRP 32 2HB TRP 32 -5.752 -4.765 2.328 240 2HB TRP 32 3HB TRP 32 -6.500 -4.439 0.777 241 HD1 TRP 32 HD1 TRP 32 -3.549 -6.562 2.191 242 HE1 TRP 32 HE1 TRP 32 -3.154 -8.708 0.706 243 HE3 TRP 32 HE3 TRP 32 -6.986 -5.378 -1.364 244 HZ2 TRP 32 HZ2 TRP 32 -4.298 -9.648 -1.734 245 HZ3 TRP 32 HZ3 TRP 32 -7.285 -6.964 -3.265 246 HH2 TRP 32 HH2 TRP 32 -6.008 -9.037 -3.483 247 H GLY 33 HN GLY 33 -3.115 -3.926 3.129 248 1HA GLY 33 1HA GLY 33 -1.002 -5.322 1.839 249 2HA GLY 33 2HA GLY 33 -0.564 -3.645 2.098 250 H SER 34 HN SER 34 1.093 -4.984 3.497 251 HA SER 34 HA SER 34 0.204 -4.661 6.184 252 1HB SER 34 2HB SER 34 0.860 -7.398 5.052 253 2HB SER 34 3HB SER 34 1.139 -7.049 6.746 254 HG SER 34 HG SER 34 -1.142 -6.429 6.911 255 H ILE 35 HN ILE 35 1.892 -3.655 7.216 256 HA ILE 35 HA ILE 35 4.480 -3.708 5.940 257 HB ILE 35 HB ILE 35 2.983 -1.946 7.662 258 1HG1 ILE 35 2HG1 ILE 35 5.597 -1.259 6.360 259 2HG1 ILE 35 3HG1 ILE 35 4.227 -1.671 5.348 260 1HG2 ILE 35 1HG2 ILE 35 4.728 -1.164 9.122 261 2HG2 ILE 35 2HG2 ILE 35 4.466 -2.900 9.414 262 3HG2 ILE 35 3HG2 ILE 35 5.873 -2.359 8.468 263 1HD1 ILE 35 1HD1 ILE 35 3.798 0.296 7.597 264 2HD1 ILE 35 2HD1 ILE 35 4.631 0.843 6.122 265 3HD1 ILE 35 3HD1 ILE 35 2.980 0.188 6.020 266 H LYS 36 HN LYS 36 6.476 -3.958 7.407 267 HA LYS 36 HA LYS 36 6.104 -5.675 9.674 268 1HB LYS 36 2HB LYS 36 7.312 -6.777 7.122 269 2HB LYS 36 3HB LYS 36 7.486 -7.527 8.696 270 1HG LYS 36 2HG LYS 36 4.858 -7.393 8.802 271 2HG LYS 36 3HG LYS 36 4.950 -7.135 7.071 272 1HD LYS 36 2HD LYS 36 6.685 -9.355 7.817 273 2HD LYS 36 3HD LYS 36 5.081 -9.622 8.471 274 1HE LYS 36 2HE LYS 36 4.308 -8.854 6.019 275 2HE LYS 36 3HE LYS 36 5.932 -9.348 5.584 276 1HZ LYS 36 1HZ LYS 36 3.839 -10.993 5.837 277 2HZ LYS 36 2HZ LYS 36 5.401 -11.468 5.866 278 3HZ LYS 36 3HZ LYS 36 4.597 -11.220 7.266 279 H GLY 37 HN GLY 37 7.400 -4.623 11.083 280 1HA GLY 37 1HA GLY 37 9.955 -4.605 11.396 281 2HA GLY 37 2HA GLY 37 9.909 -3.474 10.058 282 H LEU 38 HN LEU 38 7.535 -2.019 10.604 283 HA LEU 38 HA LEU 38 8.445 -0.103 12.350 284 1HB LEU 38 2HB LEU 38 5.770 -0.786 11.189 285 2HB LEU 38 3HB LEU 38 5.892 0.480 12.396 286 HG LEU 38 HG LEU 38 7.896 1.177 10.637 287 1HD1 LEU 38 1HD1 LEU 38 7.381 0.759 8.458 288 2HD1 LEU 38 2HD1 LEU 38 6.746 -0.733 9.193 289 3HD1 LEU 38 3HD1 LEU 38 5.638 0.596 8.778 290 1HD2 LEU 38 1HD2 LEU 38 6.472 3.009 10.012 291 2HD2 LEU 38 2HD2 LEU 38 5.017 2.106 10.494 292 3HD2 LEU 38 3HD2 LEU 38 6.191 2.625 11.727 293 H THR 39 HN THR 39 6.517 0.541 14.223 294 HA THR 39 HA THR 39 6.361 -1.817 15.964 295 HB THR 39 HB THR 39 7.124 -0.211 17.834 296 HG1 THR 39 1HG THR 39 6.711 1.666 16.318 297 1HG2 THR 39 1HG2 THR 39 9.549 0.006 16.421 298 2HG2 THR 39 2HG2 THR 39 9.077 -1.356 17.465 299 3HG2 THR 39 3HG2 THR 39 8.777 -1.433 15.712 300 H GLU 40 HN GLU 40 4.524 -1.993 17.179 301 HA GLU 40 HA GLU 40 2.242 -0.983 16.358 302 1HB GLU 40 2HB GLU 40 1.289 -1.508 18.542 303 2HB GLU 40 3HB GLU 40 2.524 -2.691 18.161 304 1HG GLU 40 2HG GLU 40 3.399 -2.203 20.207 305 2HG GLU 40 3HG GLU 40 4.010 -0.739 19.461 306 H GLY 41 HN GLY 41 1.439 1.040 16.022 307 1HA GLY 41 1HA GLY 41 0.920 3.001 17.717 308 2HA GLY 41 2HA GLY 41 2.631 3.280 17.464 309 H LEU 42 HN LEU 42 1.385 5.388 16.646 310 HA LEU 42 HA LEU 42 0.243 5.154 14.040 311 1HB LEU 42 2HB LEU 42 0.926 7.394 15.909 312 2HB LEU 42 3HB LEU 42 0.553 7.743 14.232 313 HG LEU 42 HG LEU 42 -1.396 5.982 15.590 314 1HD1 LEU 42 1HD1 LEU 42 -1.248 7.234 17.503 315 2HD1 LEU 42 2HD1 LEU 42 -0.735 8.704 16.641 316 3HD1 LEU 42 3HD1 LEU 42 -2.437 8.187 16.584 317 1HD2 LEU 42 1HD2 LEU 42 -2.434 6.596 13.719 318 2HD2 LEU 42 2HD2 LEU 42 -2.689 8.180 14.490 319 3HD2 LEU 42 3HD2 LEU 42 -1.287 7.925 13.424 320 H HIS 43 HN HIS 43 1.174 5.568 12.038 321 HA HIS 43 HA HIS 43 4.006 6.272 12.083 322 1HB HIS 43 2HB HIS 43 2.810 4.003 10.467 323 2HB HIS 43 3HB HIS 43 4.467 4.567 10.371 324 HD1 HIS 43 HD1 HIS 43 5.335 4.742 13.270 325 HD2 HIS 43 HD2 HIS 43 2.938 1.629 11.800 326 HE1 HIS 43 HE1 HIS 43 5.640 2.784 14.878 327 H GLY 44 HN GLY 44 4.727 6.778 9.682 328 1HA GLY 44 1HA GLY 44 2.812 8.726 8.694 329 2HA GLY 44 2HA GLY 44 4.485 8.525 8.214 330 H PHE 45 HN PHE 45 2.150 8.841 6.447 331 HA PHE 45 HA PHE 45 2.549 6.404 4.906 332 1HB PHE 45 2HB PHE 45 0.342 6.575 6.425 333 2HB PHE 45 3HB PHE 45 -0.189 7.729 5.217 334 HD1 PHE 45 1HD PHE 45 -0.757 7.008 2.970 335 HD2 PHE 45 2HD PHE 45 0.569 4.211 5.873 336 HE1 PHE 45 1HE PHE 45 -1.574 5.124 1.528 337 HE2 PHE 45 2HE PHE 45 -0.248 2.327 4.430 338 HZ PHE 45 HZ PHE 45 -1.310 2.805 2.275 339 H HIS 46 HN HIS 46 3.971 7.922 3.706 340 HA HIS 46 HA HIS 46 2.642 10.118 2.405 341 1HB HIS 46 2HB HIS 46 5.421 9.187 1.751 342 2HB HIS 46 3HB HIS 46 4.757 10.808 1.716 343 HD1 HIS 46 HD1 HIS 46 7.277 9.349 3.435 344 HD2 HIS 46 HD2 HIS 46 3.717 11.085 4.814 345 HE1 HIS 46 HE1 HIS 46 7.695 10.000 5.867 346 H VAL 47 HN VAL 47 3.325 10.278 -0.127 347 HA VAL 47 HA VAL 47 2.901 7.670 -1.364 348 HB VAL 47 HB VAL 47 1.124 10.088 -1.586 349 1HG1 VAL 47 1HG1 VAL 47 1.046 9.801 -3.810 350 2HG1 VAL 47 2HG1 VAL 47 1.924 8.255 -3.728 351 3HG1 VAL 47 3HG1 VAL 47 0.164 8.294 -3.466 352 1HG2 VAL 47 1HG2 VAL 47 -0.353 8.834 -0.480 353 2HG2 VAL 47 2HG2 VAL 47 -0.171 7.502 -1.647 354 3HG2 VAL 47 3HG2 VAL 47 0.925 7.616 -0.249 355 H HIS 48 HN HIS 48 5.353 8.446 -1.426 356 HA HIS 48 HA HIS 48 6.333 10.468 -2.818 357 1HB HIS 48 2HB HIS 48 7.173 7.822 -2.158 358 2HB HIS 48 3HB HIS 48 7.653 8.128 -3.815 359 HD1 HIS 48 HD1 HIS 48 7.718 10.317 -0.650 360 HD2 HIS 48 HD2 HIS 48 10.203 9.069 -3.791 361 HE1 HIS 48 HE1 HIS 48 9.969 11.460 -0.279 362 H GLU 49 HN GLU 49 6.194 11.358 -4.830 363 HA GLU 49 HA GLU 49 5.149 9.624 -6.923 364 1HB GLU 49 2HB GLU 49 3.414 11.246 -5.910 365 2HB GLU 49 3HB GLU 49 4.347 12.544 -6.628 366 1HG GLU 49 2HG GLU 49 4.082 10.724 -8.742 367 2HG GLU 49 3HG GLU 49 2.539 10.595 -7.921 368 H GLU 50 HN GLU 50 6.341 9.676 -8.800 369 HA GLU 50 HA GLU 50 7.847 12.048 -9.387 370 1HB GLU 50 2HB GLU 50 9.199 10.270 -7.900 371 2HB GLU 50 3HB GLU 50 9.428 9.485 -9.450 372 1HG GLU 50 2HG GLU 50 10.969 11.025 -10.092 373 2HG GLU 50 3HG GLU 50 9.886 12.353 -9.724 374 H GLU 51 HN GLU 51 8.065 12.352 -11.613 375 HA GLU 51 HA GLU 51 6.414 11.153 -13.316 376 1HB GLU 51 2HB GLU 51 8.362 13.083 -13.512 377 2HB GLU 51 3HB GLU 51 9.054 11.829 -14.523 378 1HG GLU 51 2HG GLU 51 6.917 11.703 -15.824 379 2HG GLU 51 3HG GLU 51 6.229 12.959 -14.814 380 H ASP 52 HN ASP 52 9.478 9.874 -12.100 381 HA ASP 52 HA ASP 52 8.918 7.457 -13.598 382 1HB ASP 52 2HB ASP 52 11.599 8.895 -13.400 383 2HB ASP 52 3HB ASP 52 11.478 7.206 -13.850 384 H ASN 53 HN ASN 53 9.268 5.585 -12.305 385 HA ASN 53 HA ASN 53 10.168 6.161 -9.607 386 1HB ASN 53 2HB ASN 53 8.605 3.796 -10.770 387 2HB ASN 53 3HB ASN 53 9.082 3.911 -9.088 388 1HD2 ASN 53 1HD2 ASN 53 6.925 3.853 -8.451 389 2HD2 ASN 53 2HD2 ASN 53 5.873 5.225 -8.571 390 H THR 54 HN THR 54 12.387 6.129 -11.034 391 HA THR 54 HA THR 54 13.470 3.420 -10.718 392 HB THR 54 HB THR 54 13.145 3.481 -13.073 393 HG1 THR 54 1HG THR 54 15.378 3.118 -12.722 394 1HG2 THR 54 1HG2 THR 54 14.303 5.812 -14.089 395 2HG2 THR 54 2HG2 THR 54 12.553 5.515 -13.968 396 3HG2 THR 54 3HG2 THR 54 13.394 6.412 -12.681 397 H ALA 55 HN ALA 55 15.016 3.479 -9.225 398 HA ALA 55 HA ALA 55 17.311 4.872 -9.367 399 1HB ALA 55 1HB ALA 55 16.347 6.571 -7.337 400 2HB ALA 55 2HB ALA 55 16.823 7.035 -8.988 401 3HB ALA 55 3HB ALA 55 15.124 6.647 -8.628 402 H GLY 56 HN GLY 56 14.677 4.304 -6.929 403 1HA GLY 56 1HA GLY 56 15.197 2.142 -5.680 404 2HA GLY 56 2HA GLY 56 16.677 2.962 -5.225 405 H CYS 57 HN CYS 57 16.075 5.499 -4.565 406 HA CYS 57 HA CYS 57 13.767 6.193 -3.406 407 1HB CYS 57 2HB CYS 57 14.988 4.046 -1.855 408 2HB CYS 57 3HB CYS 57 14.753 5.497 -0.901 409 H THR 58 HN THR 58 14.839 8.136 -4.189 410 HA THR 58 HA THR 58 16.965 9.074 -2.374 411 HB THR 58 HB THR 58 17.920 10.238 -4.331 412 HG1 THR 58 1HG THR 58 16.358 10.650 -5.847 413 1HG2 THR 58 1HG2 THR 58 17.185 7.316 -4.827 414 2HG2 THR 58 2HG2 THR 58 18.185 8.242 -5.972 415 3HG2 THR 58 3HG2 THR 58 18.756 7.973 -4.307 416 H SER 59 HN SER 59 16.724 11.713 -3.925 417 HA SER 59 HA SER 59 14.103 12.588 -3.307 418 1HB SER 59 2HB SER 59 14.768 14.250 -1.572 419 2HB SER 59 3HB SER 59 14.981 12.599 -1.025 420 HG SER 59 HG SER 59 16.798 14.266 -0.691 421 H ALA 60 HN ALA 60 14.256 13.210 -5.562 422 HA ALA 60 HA ALA 60 16.359 14.996 -6.361 423 1HB ALA 60 1HB ALA 60 15.511 14.691 -8.515 424 2HB ALA 60 2HB ALA 60 15.054 13.163 -7.724 425 3HB ALA 60 3HB ALA 60 13.844 14.452 -7.937 426 H GLY 61 HN GLY 61 12.727 15.240 -6.224 427 1HA GLY 61 1HA GLY 61 12.787 17.752 -4.900 428 2HA GLY 61 2HA GLY 61 12.553 17.973 -6.622 429 HA PRO 62 HA PRO 62 8.433 16.624 -6.297 430 1HB PRO 62 2HB PRO 62 7.995 14.914 -8.383 431 2HB PRO 62 3HB PRO 62 8.058 16.656 -8.568 432 1HG PRO 62 2HG PRO 62 10.085 14.638 -9.314 433 2HG PRO 62 3HG PRO 62 9.934 16.296 -9.860 434 1HD PRO 62 2HD PRO 62 11.803 15.288 -7.932 435 2HD PRO 62 3HD PRO 62 11.574 16.963 -8.393 436 H HIS 63 HN HIS 63 7.847 15.664 -4.446 437 HA HIS 63 HA HIS 63 7.997 12.757 -4.565 438 1HB HIS 63 2HB HIS 63 8.803 14.327 -2.107 439 2HB HIS 63 3HB HIS 63 8.860 12.589 -2.325 440 HD1 HIS 63 HD1 HIS 63 11.201 15.031 -1.940 441 HD2 HIS 63 HD2 HIS 63 10.552 12.346 -5.097 442 HE1 HIS 63 HE1 HIS 63 13.418 14.848 -3.190 443 H PHE 64 HN PHE 64 6.818 15.659 -2.733 444 HA PHE 64 HA PHE 64 4.299 14.192 -2.366 445 1HB PHE 64 2HB PHE 64 5.359 16.537 -0.706 446 2HB PHE 64 3HB PHE 64 4.135 15.375 -0.235 447 HD1 PHE 64 1HD PHE 64 4.794 13.080 0.421 448 HD2 PHE 64 2HD PHE 64 7.690 16.069 -0.411 449 HE1 PHE 64 1HE PHE 64 6.544 11.708 1.583 450 HE2 PHE 64 2HE PHE 64 9.440 14.696 0.752 451 HZ PHE 64 HZ PHE 64 8.847 12.532 1.735 452 H ASN 65 HN ASN 65 2.630 16.224 -1.559 453 HA ASN 65 HA ASN 65 2.587 17.836 -3.970 454 1HB ASN 65 2HB ASN 65 0.256 17.843 -2.076 455 2HB ASN 65 3HB ASN 65 0.256 17.791 -3.827 456 1HD2 ASN 65 1HD2 ASN 65 0.689 15.948 -0.878 457 2HD2 ASN 65 2HD2 ASN 65 0.411 14.369 -1.533 458 HA PRO 66 HA PRO 66 3.521 21.222 -1.296 459 1HB PRO 66 2HB PRO 66 3.470 23.224 -3.156 460 2HB PRO 66 3HB PRO 66 4.872 22.211 -2.877 461 1HG PRO 66 2HG PRO 66 2.947 22.134 -5.119 462 2HG PRO 66 3HG PRO 66 4.555 21.445 -5.030 463 1HD PRO 66 2HD PRO 66 2.068 20.034 -4.802 464 2HD PRO 66 3HD PRO 66 3.675 19.365 -4.597 465 H LEU 67 HN LEU 67 1.311 20.519 -0.392 466 HA LEU 67 HA LEU 67 -0.285 22.949 -0.532 467 1HB LEU 67 2HB LEU 67 -1.235 21.440 -2.206 468 2HB LEU 67 3HB LEU 67 -1.402 20.181 -0.998 469 HG LEU 67 HG LEU 67 -2.847 22.845 -0.991 470 1HD1 LEU 67 1HD1 LEU 67 -4.327 21.899 -2.342 471 2HD1 LEU 67 2HD1 LEU 67 -3.399 20.380 -2.346 472 3HD1 LEU 67 3HD1 LEU 67 -4.642 20.659 -1.103 473 1HD2 LEU 67 1HD2 LEU 67 -4.207 21.392 0.798 474 2HD2 LEU 67 2HD2 LEU 67 -2.589 20.693 1.044 475 3HD2 LEU 67 3HD2 LEU 67 -2.841 22.444 1.240 476 H SER 68 HN SER 68 0.268 19.699 0.954 477 HA SER 68 HA SER 68 -0.818 20.744 3.419 478 1HB SER 68 2HB SER 68 -0.679 18.406 4.215 479 2HB SER 68 3HB SER 68 -1.551 18.505 2.698 480 HG SER 68 HG SER 68 1.225 18.117 2.418 481 H ARG 69 HN ARG 69 1.252 18.333 4.357 482 HA ARG 69 HA ARG 69 2.991 18.449 5.684 483 1HB ARG 69 2HB ARG 69 5.119 18.890 4.474 484 2HB ARG 69 3HB ARG 69 4.009 17.983 3.466 485 1HG ARG 69 2HG ARG 69 3.316 20.074 2.309 486 2HG ARG 69 3HG ARG 69 4.369 21.015 3.347 487 1HD ARG 69 2HD ARG 69 6.209 19.245 2.431 488 2HD ARG 69 3HD ARG 69 5.090 19.164 1.085 489 HE ARG 69 HE ARG 69 5.453 21.912 1.653 490 1HH1 ARG 69 2HH2 ARG 69 7.413 19.194 0.581 491 2HH1 ARG 69 1HH2 ARG 69 8.523 20.181 -0.310 492 1HH2 ARG 69 2HH1 ARG 69 6.917 23.215 0.477 493 2HH2 ARG 69 1HH1 ARG 69 8.239 22.484 -0.369 494 H LYS 70 HN LYS 70 1.247 20.848 5.879 495 HA LYS 70 HA LYS 70 3.280 22.722 6.855 496 1HB LYS 70 2HB LYS 70 1.968 23.289 4.607 497 2HB LYS 70 3HB LYS 70 0.721 23.792 5.732 498 1HG LYS 70 2HG LYS 70 2.250 25.342 6.848 499 2HG LYS 70 3HG LYS 70 3.619 24.726 5.944 500 1HD LYS 70 2HD LYS 70 2.814 25.658 3.874 501 2HD LYS 70 3HD LYS 70 1.213 25.941 4.530 502 1HE LYS 70 2HE LYS 70 3.395 27.287 6.044 503 2HE LYS 70 3HE LYS 70 3.228 27.842 4.390 504 1HZ LYS 70 1HZ LYS 70 1.819 29.036 5.954 505 2HZ LYS 70 2HZ LYS 70 0.936 28.298 4.796 506 3HZ LYS 70 3HZ LYS 70 1.001 27.665 6.300 507 H HIS 71 HN HIS 71 2.992 21.623 8.916 508 HA HIS 71 HA HIS 71 1.918 21.097 10.795 509 1HB HIS 71 2HB HIS 71 1.591 22.962 12.104 510 2HB HIS 71 3HB HIS 71 2.587 23.603 10.812 511 HD1 HIS 71 HD1 HIS 71 -0.612 24.113 12.528 512 HD2 HIS 71 HD2 HIS 71 1.017 25.084 8.787 513 HE1 HIS 71 HE1 HIS 71 -2.093 25.951 11.559 514 H GLY 72 HN GLY 72 0.416 20.211 8.551 515 1HA GLY 72 1HA GLY 72 -1.618 19.347 8.129 516 2HA GLY 72 2HA GLY 72 -2.109 19.802 9.748 517 H GLY 73 HN GLY 73 -3.949 21.014 9.682 518 1HA GLY 73 1HA GLY 73 -4.039 23.550 8.503 519 2HA GLY 73 2HA GLY 73 -4.813 22.424 7.406 520 HA PRO 74 HA PRO 74 -8.294 22.172 10.007 521 1HB PRO 74 2HB PRO 74 -8.903 19.527 10.322 522 2HB PRO 74 3HB PRO 74 -9.269 20.427 8.864 523 1HG PRO 74 2HG PRO 74 -7.134 18.435 9.325 524 2HG PRO 74 3HG PRO 74 -7.781 19.019 7.805 525 1HD PRO 74 2HD PRO 74 -5.288 19.767 9.009 526 2HD PRO 74 3HD PRO 74 -5.989 20.436 7.549 527 H LYS 75 HN LYS 75 -6.778 19.276 11.328 528 HA LYS 75 HA LYS 75 -6.793 20.678 13.911 529 1HB LYS 75 2HB LYS 75 -7.673 17.897 13.178 530 2HB LYS 75 3HB LYS 75 -7.041 18.214 14.781 531 1HG LYS 75 2HG LYS 75 -9.148 18.887 15.320 532 2HG LYS 75 3HG LYS 75 -8.789 20.351 14.425 533 1HD LYS 75 2HD LYS 75 -10.195 19.788 12.716 534 2HD LYS 75 3HD LYS 75 -9.591 18.145 12.641 535 1HE LYS 75 2HE LYS 75 -11.181 18.667 15.084 536 2HE LYS 75 3HE LYS 75 -12.098 18.920 13.612 537 1HZ LYS 75 1HZ LYS 75 -10.826 16.484 14.561 538 2HZ LYS 75 2HZ LYS 75 -12.328 16.697 13.957 539 3HZ LYS 75 3HZ LYS 75 -11.039 16.684 12.954 540 H ASP 76 HN ASP 76 -4.671 20.746 11.929 541 HA ASP 76 HA ASP 76 -2.549 20.341 11.666 542 1HB ASP 76 2HB ASP 76 -1.785 19.688 14.401 543 2HB ASP 76 3HB ASP 76 -1.422 21.130 13.474 544 H GLU 77 HN GLU 77 -2.902 18.233 10.564 545 HA GLU 77 HA GLU 77 -2.191 15.990 12.290 546 1HB GLU 77 2HB GLU 77 -4.548 15.899 11.411 547 2HB GLU 77 3HB GLU 77 -3.917 15.900 9.776 548 1HG GLU 77 2HG GLU 77 -3.635 13.655 9.881 549 2HG GLU 77 3HG GLU 77 -2.491 13.857 11.193 550 H GLU 78 HN GLU 78 -1.256 18.055 9.751 551 HA GLU 78 HA GLU 78 0.375 18.057 8.321 552 1HB GLU 78 2HB GLU 78 1.520 17.021 10.491 553 2HB GLU 78 3HB GLU 78 1.644 15.583 9.498 554 1HG GLU 78 2HG GLU 78 2.768 16.978 7.703 555 2HG GLU 78 3HG GLU 78 2.732 18.349 8.794 556 H ARG 79 HN ARG 79 0.765 17.310 6.208 557 HA ARG 79 HA ARG 79 0.326 16.217 4.392 558 1HB ARG 79 2HB ARG 79 0.523 13.622 5.985 559 2HB ARG 79 3HB ARG 79 0.954 13.874 4.305 560 1HG ARG 79 2HG ARG 79 2.954 14.983 4.830 561 2HG ARG 79 3HG ARG 79 2.363 15.551 6.378 562 1HD ARG 79 2HD ARG 79 2.297 12.769 6.685 563 2HD ARG 79 3HD ARG 79 3.732 13.012 5.709 564 HE ARG 79 HE ARG 79 4.092 14.919 7.618 565 1HH1 ARG 79 2HH2 ARG 79 3.164 11.536 7.889 566 2HH1 ARG 79 1HH2 ARG 79 3.873 11.334 9.456 567 1HH2 ARG 79 2HH1 ARG 79 5.028 14.654 9.686 568 2HH2 ARG 79 1HH1 ARG 79 4.941 13.120 10.485 569 H HIS 80 HN HIS 80 -1.960 17.038 4.515 570 HA HIS 80 HA HIS 80 -3.852 14.916 5.201 571 1HB HIS 80 2HB HIS 80 -5.531 16.757 5.261 572 2HB HIS 80 3HB HIS 80 -4.273 16.880 6.474 573 HD1 HIS 80 HD1 HIS 80 -5.483 18.510 3.281 574 HD2 HIS 80 HD2 HIS 80 -2.616 19.138 6.278 575 HE1 HIS 80 HE1 HIS 80 -4.586 20.872 2.928 576 H VAL 81 HN VAL 81 -2.090 15.786 2.631 577 HA VAL 81 HA VAL 81 -4.344 15.686 0.755 578 HB VAL 81 HB VAL 81 -1.497 16.660 0.498 579 1HG1 VAL 81 1HG1 VAL 81 -3.472 16.856 -1.755 580 2HG1 VAL 81 2HG1 VAL 81 -1.693 16.876 -1.793 581 3HG1 VAL 81 3HG1 VAL 81 -2.560 15.346 -1.521 582 1HG2 VAL 81 1HG2 VAL 81 -2.318 18.781 0.551 583 2HG2 VAL 81 2HG2 VAL 81 -3.842 18.332 -0.250 584 3HG2 VAL 81 3HG2 VAL 81 -3.617 18.001 1.485 585 H GLY 82 HN GLY 82 -0.900 14.752 0.288 586 1HA GLY 82 1HA GLY 82 -1.498 12.446 -1.162 587 2HA GLY 82 2HA GLY 82 0.033 12.829 -0.401 588 H ASP 83 HN ASP 83 -0.481 12.834 2.311 589 HA ASP 83 HA ASP 83 -0.679 10.083 2.800 590 1HB ASP 83 2HB ASP 83 -0.507 12.565 4.541 591 2HB ASP 83 3HB ASP 83 -0.753 10.994 5.278 592 H LEU 84 HN LEU 84 -2.697 12.982 3.701 593 HA LEU 84 HA LEU 84 -4.934 13.150 3.806 594 1HB LEU 84 2HB LEU 84 -4.829 10.941 2.349 595 2HB LEU 84 3HB LEU 84 -5.400 10.204 3.833 596 HG LEU 84 HG LEU 84 -7.126 12.311 3.616 597 1HD1 LEU 84 1HD1 LEU 84 -6.113 11.674 0.884 598 2HD1 LEU 84 2HD1 LEU 84 -7.861 11.944 1.088 599 3HD1 LEU 84 3HD1 LEU 84 -6.704 13.209 1.566 600 1HD2 LEU 84 1HD2 LEU 84 -8.702 10.703 3.506 601 2HD2 LEU 84 2HD2 LEU 84 -7.939 9.890 2.119 602 3HD2 LEU 84 3HD2 LEU 84 -7.312 9.620 3.763 603 H GLY 85 HN GLY 85 -2.712 11.673 5.824 604 1HA GLY 85 1HA GLY 85 -3.495 12.547 8.189 605 2HA GLY 85 2HA GLY 85 -4.568 11.171 8.022 606 H ASN 86 HN ASN 86 -3.535 10.084 9.818 607 HA ASN 86 HA ASN 86 -0.891 9.086 9.099 608 1HB ASN 86 2HB ASN 86 -0.577 8.762 11.616 609 2HB ASN 86 3HB ASN 86 -0.671 10.437 11.111 610 1HD2 ASN 86 1HD2 ASN 86 -1.122 10.198 13.608 611 2HD2 ASN 86 2HD2 ASN 86 -2.794 10.257 14.057 612 H VAL 87 HN VAL 87 -0.486 6.794 9.965 613 HA VAL 87 HA VAL 87 -3.023 5.313 10.094 614 HB VAL 87 HB VAL 87 -1.857 3.475 9.041 615 1HG1 VAL 87 1HG1 VAL 87 -1.078 4.931 6.884 616 2HG1 VAL 87 2HG1 VAL 87 -2.775 4.577 7.288 617 3HG1 VAL 87 3HG1 VAL 87 -2.056 6.137 7.754 618 1HG2 VAL 87 1HG2 VAL 87 0.359 3.275 9.176 619 2HG2 VAL 87 2HG2 VAL 87 0.534 4.663 8.076 620 3HG2 VAL 87 3HG2 VAL 87 0.495 4.922 9.836 621 H THR 88 HN THR 88 -1.955 2.833 10.915 622 HA THR 88 HA THR 88 -0.331 3.257 13.250 623 HB THR 88 HB THR 88 -3.301 2.542 13.494 624 HG1 THR 88 1HG THR 88 -3.243 4.759 13.634 625 1HG2 THR 88 1HG2 THR 88 -1.137 2.897 15.635 626 2HG2 THR 88 2HG2 THR 88 -2.866 2.599 15.936 627 3HG2 THR 88 3HG2 THR 88 -1.863 1.337 15.180 628 H ALA 89 HN ALA 89 0.488 1.316 14.134 629 HA ALA 89 HA ALA 89 0.387 -0.849 12.220 630 1HB ALA 89 1HB ALA 89 2.115 -1.752 13.991 631 2HB ALA 89 2HB ALA 89 2.572 -0.412 12.912 632 3HB ALA 89 3HB ALA 89 2.084 -0.076 14.591 633 H ASP 90 HN ASP 90 0.465 -3.170 13.394 634 HA ASP 90 HA ASP 90 -2.106 -3.400 14.545 635 1HB ASP 90 2HB ASP 90 -1.402 -5.177 13.100 636 2HB ASP 90 3HB ASP 90 0.151 -5.327 13.898 637 H LYS 91 HN LYS 91 0.530 -5.450 15.774 638 HA LYS 91 HA LYS 91 0.563 -3.999 18.305 639 1HB LYS 91 2HB LYS 91 0.077 -6.985 18.190 640 2HB LYS 91 3HB LYS 91 0.079 -5.951 19.605 641 1HG LYS 91 2HG LYS 91 -1.819 -4.646 18.184 642 2HG LYS 91 3HG LYS 91 -2.010 -6.229 17.456 643 1HD LYS 91 2HD LYS 91 -1.874 -6.026 20.471 644 2HD LYS 91 3HD LYS 91 -3.360 -5.564 19.664 645 1HE LYS 91 2HE LYS 91 -3.441 -7.797 18.532 646 2HE LYS 91 3HE LYS 91 -1.954 -8.259 19.336 647 1HZ LYS 91 1HZ LYS 91 -3.044 -8.643 21.211 648 2HZ LYS 91 2HZ LYS 91 -3.942 -7.282 21.125 649 3HZ LYS 91 3HZ LYS 91 -4.413 -8.623 20.321 650 H ASP 92 HN ASP 92 2.267 -4.835 15.744 651 HA ASP 92 HA ASP 92 4.637 -5.155 17.312 652 1HB ASP 92 2HB ASP 92 3.418 -7.381 15.859 653 2HB ASP 92 3HB ASP 92 4.988 -7.008 15.175 654 H GLY 93 HN GLY 93 3.200 -3.226 15.419 655 1HA GLY 93 1HA GLY 93 4.199 -1.629 14.065 656 2HA GLY 93 2HA GLY 93 5.460 -2.762 13.621 657 H VAL 94 HN VAL 94 3.713 -5.034 12.985 658 HA VAL 94 HA VAL 94 3.369 -4.773 10.339 659 HB VAL 94 HB VAL 94 1.704 -6.325 12.327 660 1HG1 VAL 94 1HG1 VAL 94 0.528 -7.308 10.680 661 2HG1 VAL 94 2HG1 VAL 94 0.995 -5.894 9.705 662 3HG1 VAL 94 3HG1 VAL 94 1.937 -7.400 9.596 663 1HG2 VAL 94 1HG2 VAL 94 3.207 -8.111 12.010 664 2HG2 VAL 94 2HG2 VAL 94 3.922 -7.370 10.558 665 3HG2 VAL 94 3HG2 VAL 94 4.245 -6.673 12.164 666 H ALA 95 HN ALA 95 2.528 -2.953 9.387 667 HA ALA 95 HA ALA 95 -0.067 -2.023 10.368 668 1HB ALA 95 1HB ALA 95 1.047 -0.367 8.302 669 2HB ALA 95 2HB ALA 95 0.824 0.009 10.028 670 3HB ALA 95 3HB ALA 95 2.334 -0.751 9.470 671 H ASP 96 HN ASP 96 -1.841 -2.799 9.351 672 HA ASP 96 HA ASP 96 -1.464 -3.683 6.607 673 1HB ASP 96 2HB ASP 96 -3.286 -5.185 6.941 674 2HB ASP 96 3HB ASP 96 -2.355 -5.276 8.423 675 H VAL 97 HN VAL 97 -3.136 -3.046 5.008 676 HA VAL 97 HA VAL 97 -4.792 -0.791 5.904 677 HB VAL 97 HB VAL 97 -3.193 -1.069 3.352 678 1HG1 VAL 97 1HG1 VAL 97 -4.034 1.295 2.940 679 2HG1 VAL 97 2HG1 VAL 97 -5.231 -0.007 2.742 680 3HG1 VAL 97 3HG1 VAL 97 -5.239 0.992 4.214 681 1HG2 VAL 97 1HG2 VAL 97 -2.812 1.325 5.005 682 2HG2 VAL 97 2HG2 VAL 97 -2.353 -0.184 5.831 683 3HG2 VAL 97 3HG2 VAL 97 -1.612 0.235 4.268 684 H SER 98 HN SER 98 -6.659 -0.388 4.307 685 HA SER 98 HA SER 98 -7.414 -2.393 2.554 686 1HB SER 98 2HB SER 98 -9.382 -3.302 3.912 687 2HB SER 98 3HB SER 98 -7.796 -3.883 4.381 688 HG SER 98 HG SER 98 -8.409 -3.243 6.339 689 H ILE 99 HN ILE 99 -8.018 -0.616 1.251 690 HA ILE 99 HA ILE 99 -10.422 0.771 2.175 691 HB ILE 99 HB ILE 99 -7.955 2.052 1.001 692 1HG1 ILE 99 2HG1 ILE 99 -9.316 2.929 3.523 693 2HG1 ILE 99 3HG1 ILE 99 -8.305 1.499 3.568 694 1HG2 ILE 99 1HG2 ILE 99 -10.018 2.921 -0.056 695 2HG2 ILE 99 2HG2 ILE 99 -10.640 3.344 1.558 696 3HG2 ILE 99 3HG2 ILE 99 -9.174 4.137 0.933 697 1HD1 ILE 99 1HD1 ILE 99 -6.454 2.795 3.625 698 2HD1 ILE 99 2HD1 ILE 99 -6.899 3.510 2.057 699 3HD1 ILE 99 3HD1 ILE 99 -7.481 4.248 3.568 700 H GLU 100 HN GLU 100 -11.799 1.532 0.411 701 HA GLU 100 HA GLU 100 -11.104 0.307 -2.134 702 1HB GLU 100 2HB GLU 100 -12.681 -1.188 -0.893 703 2HB GLU 100 3HB GLU 100 -13.836 0.127 -0.786 704 1HG GLU 100 2HG GLU 100 -13.328 0.134 -3.492 705 2HG GLU 100 3HG GLU 100 -13.097 -1.566 -3.134 706 H ASP 101 HN ASP 101 -10.579 2.349 -3.039 707 HA ASP 101 HA ASP 101 -12.615 4.385 -2.859 708 1HB ASP 101 2HB ASP 101 -9.780 4.317 -3.973 709 2HB ASP 101 3HB ASP 101 -10.833 5.696 -4.221 710 H SER 102 HN SER 102 -13.243 5.528 -4.981 711 HA SER 102 HA SER 102 -12.929 3.798 -7.287 712 1HB SER 102 2HB SER 102 -15.544 4.736 -7.552 713 2HB SER 102 3HB SER 102 -15.076 3.105 -7.113 714 HG SER 102 HG SER 102 -15.052 3.874 -4.830 715 H VAL 103 HN VAL 103 -12.108 6.605 -6.060 716 HA VAL 103 HA VAL 103 -13.123 8.299 -8.211 717 HB VAL 103 HB VAL 103 -11.706 8.831 -5.601 718 1HG1 VAL 103 1HG1 VAL 103 -11.720 11.194 -6.103 719 2HG1 VAL 103 2HG1 VAL 103 -10.846 10.339 -7.397 720 3HG1 VAL 103 3HG1 VAL 103 -12.513 10.902 -7.669 721 1HG2 VAL 103 1HG2 VAL 103 -13.720 9.808 -4.877 722 2HG2 VAL 103 2HG2 VAL 103 -14.367 9.922 -6.531 723 3HG2 VAL 103 3HG2 VAL 103 -14.228 8.335 -5.737 724 H ILE 104 HN ILE 104 -10.104 6.964 -6.769 725 HA ILE 104 HA ILE 104 -8.469 8.261 -8.731 726 HB ILE 104 HB ILE 104 -6.667 7.379 -7.592 727 1HG1 ILE 104 2HG1 ILE 104 -7.082 5.039 -7.730 728 2HG1 ILE 104 3HG1 ILE 104 -6.822 5.423 -6.040 729 1HG2 ILE 104 1HG2 ILE 104 -6.967 8.274 -5.548 730 2HG2 ILE 104 2HG2 ILE 104 -8.561 8.724 -6.201 731 3HG2 ILE 104 3HG2 ILE 104 -8.391 7.267 -5.192 732 1HD1 ILE 104 1HD1 ILE 104 -9.545 5.076 -7.380 733 2HD1 ILE 104 2HD1 ILE 104 -8.755 3.907 -6.293 734 3HD1 ILE 104 3HD1 ILE 104 -9.289 5.485 -5.666 735 H SER 105 HN SER 105 -6.715 6.462 -9.712 736 HA SER 105 HA SER 105 -8.021 4.139 -10.651 737 1HB SER 105 2HB SER 105 -9.101 5.753 -12.157 738 2HB SER 105 3HB SER 105 -7.549 6.438 -12.598 739 HG SER 105 HG SER 105 -7.640 5.017 -14.205 740 H LEU 106 HN LEU 106 -6.499 2.689 -11.693 741 HA LEU 106 HA LEU 106 -3.850 3.051 -10.879 742 1HB LEU 106 2HB LEU 106 -5.204 1.115 -12.746 743 2HB LEU 106 3HB LEU 106 -3.485 1.046 -12.417 744 HG LEU 106 HG LEU 106 -4.407 -0.527 -10.967 745 1HD1 LEU 106 1HD1 LEU 106 -3.683 0.147 -8.899 746 2HD1 LEU 106 2HD1 LEU 106 -2.947 1.401 -9.926 747 3HD1 LEU 106 3HD1 LEU 106 -4.442 1.752 -9.026 748 1HD2 LEU 106 1HD2 LEU 106 -6.390 -0.234 -9.612 749 2HD2 LEU 106 2HD2 LEU 106 -6.548 1.456 -10.148 750 3HD2 LEU 106 3HD2 LEU 106 -6.765 0.128 -11.314 751 H SER 107 HN SER 107 -5.538 3.572 -14.014 752 HA SER 107 HA SER 107 -3.417 5.342 -14.747 753 1HB SER 107 2HB SER 107 -3.292 2.673 -15.656 754 2HB SER 107 3HB SER 107 -3.951 3.561 -17.016 755 HG SER 107 HG SER 107 -1.413 3.396 -16.406 756 H GLY 108 HN GLY 108 -5.136 6.919 -14.619 757 1HA GLY 108 1HA GLY 108 -6.786 7.002 -17.018 758 2HA GLY 108 2HA GLY 108 -7.644 6.924 -15.492 759 H ASP 109 HN ASP 109 -8.173 8.856 -14.574 760 HA ASP 109 HA ASP 109 -6.750 11.172 -15.552 761 1HB ASP 109 2HB ASP 109 -9.412 10.737 -15.226 762 2HB ASP 109 3HB ASP 109 -9.060 11.386 -13.637 763 H HIS 110 HN HIS 110 -6.213 8.972 -13.211 764 HA HIS 110 HA HIS 110 -5.288 10.997 -11.320 765 1HB HIS 110 2HB HIS 110 -6.840 8.480 -10.697 766 2HB HIS 110 3HB HIS 110 -5.834 9.273 -9.502 767 HD1 HIS 110 HD1 HIS 110 -8.792 10.116 -11.787 768 HD2 HIS 110 HD2 HIS 110 -7.091 11.292 -8.137 769 HE1 HIS 110 HE1 HIS 110 -10.403 11.806 -10.759 770 H SER 111 HN SER 111 -5.105 7.574 -12.480 771 HA SER 111 HA SER 111 -3.457 6.159 -12.581 772 1HB SER 111 2HB SER 111 -1.229 7.055 -13.351 773 2HB SER 111 3HB SER 111 -2.590 7.635 -14.290 774 HG SER 111 HG SER 111 -1.597 9.146 -12.047 775 H ILE 112 HN ILE 112 -3.553 5.399 -10.384 776 HA ILE 112 HA ILE 112 -1.872 6.749 -8.445 777 HB ILE 112 HB ILE 112 -2.858 5.225 -6.850 778 1HG1 ILE 112 2HG1 ILE 112 -4.341 3.963 -9.173 779 2HG1 ILE 112 3HG1 ILE 112 -2.965 3.243 -8.362 780 1HG2 ILE 112 1HG2 ILE 112 -4.879 6.279 -6.728 781 2HG2 ILE 112 2HG2 ILE 112 -4.070 7.321 -7.922 782 3HG2 ILE 112 3HG2 ILE 112 -5.222 6.077 -8.463 783 1HD1 ILE 112 1HD1 ILE 112 -4.665 3.959 -6.243 784 2HD1 ILE 112 2HD1 ILE 112 -5.769 3.366 -7.506 785 3HD1 ILE 112 3HD1 ILE 112 -4.452 2.324 -6.915 786 H ILE 113 HN ILE 113 -1.447 4.553 -10.950 787 HA ILE 113 HA ILE 113 0.072 2.537 -9.813 788 HB ILE 113 HB ILE 113 -0.021 3.819 -12.524 789 1HG1 ILE 113 2HG1 ILE 113 -1.874 2.334 -11.648 790 2HG1 ILE 113 3HG1 ILE 113 -1.171 1.870 -13.184 791 1HG2 ILE 113 1HG2 ILE 113 2.255 3.186 -12.417 792 2HG2 ILE 113 2HG2 ILE 113 1.873 1.659 -11.587 793 3HG2 ILE 113 3HG2 ILE 113 1.419 1.882 -13.293 794 1HD1 ILE 113 1HD1 ILE 113 0.321 0.236 -11.976 795 2HD1 ILE 113 2HD1 ILE 113 -0.512 0.659 -10.461 796 3HD1 ILE 113 3HD1 ILE 113 -1.412 -0.122 -11.783 797 H GLY 114 HN GLY 114 1.824 2.702 -8.530 798 1HA GLY 114 1HA GLY 114 4.139 3.191 -8.389 799 2HA GLY 114 2HA GLY 114 3.880 4.675 -9.286 800 H ARG 115 HN ARG 115 1.950 3.350 -6.525 801 HA ARG 115 HA ARG 115 2.166 5.896 -5.263 802 1HB ARG 115 2HB ARG 115 0.727 3.300 -4.544 803 2HB ARG 115 3HB ARG 115 0.704 4.695 -3.483 804 1HG ARG 115 2HG ARG 115 0.071 5.668 -6.101 805 2HG ARG 115 3HG ARG 115 -0.869 4.205 -5.881 806 1HD ARG 115 2HD ARG 115 -0.855 6.680 -4.099 807 2HD ARG 115 3HD ARG 115 -2.200 6.043 -5.024 808 HE ARG 115 HE ARG 115 -1.598 3.926 -3.383 809 1HH1 ARG 115 2HH2 ARG 115 -2.131 7.344 -2.739 810 2HH1 ARG 115 1HH2 ARG 115 -2.749 7.078 -1.143 811 1HH2 ARG 115 2HH1 ARG 115 -2.414 3.574 -1.278 812 2HH2 ARG 115 1HH1 ARG 115 -2.911 4.919 -0.306 813 H THR 116 HN THR 116 4.641 5.578 -5.068 814 HA THR 116 HA THR 116 5.686 3.617 -3.344 815 HB THR 116 HB THR 116 6.741 6.387 -4.122 816 HG1 THR 116 1HG THR 116 5.998 4.386 -5.641 817 1HG2 THR 116 1HG2 THR 116 8.841 4.556 -4.075 818 2HG2 THR 116 2HG2 THR 116 8.501 5.735 -2.786 819 3HG2 THR 116 3HG2 THR 116 7.887 4.070 -2.653 820 H LEU 117 HN LEU 117 4.153 3.566 -1.571 821 HA LEU 117 HA LEU 117 3.920 5.870 0.089 822 1HB LEU 117 2HB LEU 117 2.240 4.752 0.988 823 2HB LEU 117 3HB LEU 117 2.475 3.590 -0.303 824 HG LEU 117 HG LEU 117 3.984 3.284 2.281 825 1HD1 LEU 117 1HD1 LEU 117 2.011 1.698 2.898 826 2HD1 LEU 117 2HD1 LEU 117 1.884 3.441 3.232 827 3HD1 LEU 117 3HD1 LEU 117 1.067 2.745 1.812 828 1HD2 LEU 117 1HD2 LEU 117 4.040 0.960 1.698 829 2HD2 LEU 117 2HD2 LEU 117 2.907 1.216 0.349 830 3HD2 LEU 117 3HD2 LEU 117 4.546 1.906 0.278 831 H VAL 118 HN VAL 118 5.454 6.639 1.429 832 HA VAL 118 HA VAL 118 7.393 4.686 2.462 833 HB VAL 118 HB VAL 118 7.973 7.611 2.296 834 1HG1 VAL 118 1HG1 VAL 118 10.120 5.941 1.448 835 2HG1 VAL 118 2HG1 VAL 118 9.973 6.879 2.954 836 3HG1 VAL 118 3HG1 VAL 118 9.396 5.196 2.894 837 1HG2 VAL 118 1HG2 VAL 118 7.366 7.526 0.089 838 2HG2 VAL 118 2HG2 VAL 118 9.025 6.893 -0.047 839 3HG2 VAL 118 3HG2 VAL 118 7.642 5.772 -0.038 840 H VAL 119 HN VAL 119 7.301 4.324 4.616 841 HA VAL 119 HA VAL 119 5.553 5.983 6.193 842 HB VAL 119 HB VAL 119 6.065 4.315 7.949 843 1HG1 VAL 119 1HG1 VAL 119 5.408 2.620 5.598 844 2HG1 VAL 119 2HG1 VAL 119 4.528 2.861 7.126 845 3HG1 VAL 119 3HG1 VAL 119 4.406 4.073 5.829 846 1HG2 VAL 119 1HG2 VAL 119 7.849 2.982 7.853 847 2HG2 VAL 119 2HG2 VAL 119 7.314 2.315 6.292 848 3HG2 VAL 119 3HG2 VAL 119 8.328 3.778 6.335 849 H HIS 120 HN HIS 120 6.188 7.149 8.102 850 HA HIS 120 HA HIS 120 8.823 8.270 7.807 851 1HB HIS 120 2HB HIS 120 6.262 9.069 8.948 852 2HB HIS 120 3HB HIS 120 7.589 9.411 10.041 853 HD1 HIS 120 HD1 HIS 120 9.691 10.034 7.652 854 HD2 HIS 120 HD2 HIS 120 5.898 11.740 8.196 855 HE1 HIS 120 HE1 HIS 120 9.731 12.272 6.427 856 H GLU 121 HN GLU 121 10.387 8.397 9.570 857 HA GLU 121 HA GLU 121 10.780 5.950 10.774 858 1HB GLU 121 2HB GLU 121 12.182 8.410 10.494 859 2HB GLU 121 3HB GLU 121 12.136 8.089 12.216 860 1HG GLU 121 2HG GLU 121 12.816 5.618 11.473 861 2HG GLU 121 3HG GLU 121 13.356 6.416 10.010 862 H LYS 122 HN LYS 122 8.612 8.479 11.602 863 HA LYS 122 HA LYS 122 7.993 7.131 14.082 864 1HB LYS 122 2HB LYS 122 9.713 9.247 14.265 865 2HB LYS 122 3HB LYS 122 8.171 10.063 14.424 866 1HG LYS 122 2HG LYS 122 8.074 7.639 16.002 867 2HG LYS 122 3HG LYS 122 9.558 8.486 16.392 868 1HD LYS 122 2HD LYS 122 8.407 10.448 17.100 869 2HD LYS 122 3HD LYS 122 6.940 10.014 16.245 870 1HE LYS 122 2HE LYS 122 6.882 7.931 17.858 871 2HE LYS 122 3HE LYS 122 8.027 8.838 18.826 872 1HZ LYS 122 1HZ LYS 122 6.485 10.546 19.111 873 2HZ LYS 122 2HZ LYS 122 5.491 10.004 17.934 874 3HZ LYS 122 3HZ LYS 122 5.624 9.176 19.336 875 H ALA 123 HN ALA 123 5.996 8.587 15.088 876 HA ALA 123 HA ALA 123 3.989 8.330 13.110 877 1HB ALA 123 1HB ALA 123 2.656 8.306 14.931 878 2HB ALA 123 2HB ALA 123 4.150 8.376 15.895 879 3HB ALA 123 3HB ALA 123 3.275 9.875 15.500 880 H ASP 124 HN ASP 124 2.366 10.191 12.705 881 HA ASP 124 HA ASP 124 3.486 12.076 11.204 882 1HB ASP 124 2HB ASP 124 1.332 13.488 12.090 883 2HB ASP 124 3HB ASP 124 1.207 12.163 10.949 884 H ASP 125 HN ASP 125 1.754 13.353 14.084 885 HA ASP 125 HA ASP 125 4.003 14.238 15.453 886 1HB ASP 125 2HB ASP 125 3.920 15.743 13.296 887 2HB ASP 125 3HB ASP 125 2.541 16.509 14.059 888 H LEU 126 HN LEU 126 0.594 14.811 14.423 889 HA LEU 126 HA LEU 126 -1.237 15.396 15.527 890 1HB LEU 126 2HB LEU 126 0.146 13.423 17.265 891 2HB LEU 126 3HB LEU 126 -1.221 14.272 17.957 892 HG LEU 126 HG LEU 126 -1.524 12.978 15.266 893 1HD1 LEU 126 1HD1 LEU 126 -0.628 11.116 16.305 894 2HD1 LEU 126 2HD1 LEU 126 -1.283 11.555 17.901 895 3HD1 LEU 126 3HD1 LEU 126 -2.368 10.933 16.634 896 1HD2 LEU 126 1HD2 LEU 126 -3.778 12.541 16.840 897 2HD2 LEU 126 2HD2 LEU 126 -3.238 14.178 17.284 898 3HD2 LEU 126 3HD2 LEU 126 -3.573 13.783 15.581 899 H GLY 127 HN GLY 127 1.258 17.134 15.766 900 1HA GLY 127 1HA GLY 127 1.443 19.248 16.622 901 2HA GLY 127 2HA GLY 127 0.153 18.922 17.762 902 H LYS 128 HN LYS 128 3.568 19.152 17.303 903 HA LYS 128 HA LYS 128 4.147 17.652 19.728 904 1HB LYS 128 2HB LYS 128 5.714 18.652 17.397 905 2HB LYS 128 3HB LYS 128 6.549 18.555 18.934 906 1HG LYS 128 2HG LYS 128 5.526 16.144 19.105 907 2HG LYS 128 3HG LYS 128 5.200 16.311 17.391 908 1HD LYS 128 2HD LYS 128 7.409 16.095 16.815 909 2HD LYS 128 3HD LYS 128 7.957 17.110 18.134 910 1HE LYS 128 2HE LYS 128 6.843 14.519 19.049 911 2HE LYS 128 3HE LYS 128 8.236 14.336 18.001 912 1HZ LYS 128 1HZ LYS 128 9.458 15.806 19.424 913 2HZ LYS 128 2HZ LYS 128 8.155 16.069 20.373 914 3HZ LYS 128 3HZ LYS 128 8.840 14.588 20.319 915 H GLY 129 HN GLY 129 5.654 20.715 18.587 916 1HA GLY 129 1HA GLY 129 4.442 22.525 20.264 917 2HA GLY 129 2HA GLY 129 5.681 21.765 21.243 918 H GLY 130 HN GLY 130 7.536 21.210 18.991 919 1HA GLY 130 1HA GLY 130 9.028 23.580 19.038 920 2HA GLY 130 2HA GLY 130 9.286 22.199 17.990 921 H ASN 131 HN ASN 131 9.926 24.004 16.435 922 HA ASN 131 HA ASN 131 7.618 24.578 14.832 923 1HB ASN 131 2HB ASN 131 9.270 26.679 16.234 924 2HB ASN 131 3HB ASN 131 8.788 27.023 14.585 925 1HD2 ASN 131 1HD2 ASN 131 7.822 26.717 17.860 926 2HD2 ASN 131 2HD2 ASN 131 6.156 27.160 17.700 927 H GLU 132 HN GLU 132 8.223 24.615 12.596 928 HA GLU 132 HA GLU 132 9.463 24.445 10.819 929 1HB GLU 132 2HB GLU 132 10.752 26.413 12.126 930 2HB GLU 132 3HB GLU 132 12.034 25.220 12.176 931 1HG GLU 132 2HG GLU 132 11.209 25.010 9.540 932 2HG GLU 132 3HG GLU 132 10.927 26.712 9.849 933 H GLN 133 HN GLN 133 9.428 22.423 13.241 934 HA GLN 133 HA GLN 133 11.483 20.721 12.069 935 1HB GLN 133 2HB GLN 133 11.351 19.731 14.606 936 2HB GLN 133 3HB GLN 133 12.531 20.920 14.089 937 1HG GLN 133 2HG GLN 133 11.424 22.695 15.139 938 2HG GLN 133 3HG GLN 133 9.847 21.944 14.993 939 1HE2 GLN 133 1HE2 GLN 133 12.661 22.368 16.893 940 2HE2 GLN 133 2HE2 GLN 133 12.210 21.424 18.274 941 H SER 134 HN SER 134 8.696 20.562 14.414 942 HA SER 134 HA SER 134 7.950 18.062 13.191 943 1HB SER 134 2HB SER 134 6.059 18.619 15.163 944 2HB SER 134 3HB SER 134 7.491 17.629 15.366 945 HG SER 134 HG SER 134 8.203 19.090 16.744 946 H THR 135 HN THR 135 7.214 21.446 13.029 947 HA THR 135 HA THR 135 4.473 21.076 12.181 948 HB THR 135 HB THR 135 4.590 23.569 11.973 949 HG1 THR 135 1HG THR 135 6.656 24.216 11.510 950 1HG2 THR 135 1HG2 THR 135 6.233 23.136 14.444 951 2HG2 THR 135 2HG2 THR 135 4.687 23.997 14.253 952 3HG2 THR 135 3HG2 THR 135 4.709 22.220 14.358 953 H LYS 136 HN LYS 136 7.192 20.107 10.756 954 HA LYS 136 HA LYS 136 6.188 20.888 8.113 955 1HB LYS 136 2HB LYS 136 8.089 22.172 8.129 956 2HB LYS 136 3HB LYS 136 8.948 21.110 9.227 957 1HG LYS 136 2HG LYS 136 9.752 19.780 7.533 958 2HG LYS 136 3HG LYS 136 8.251 19.840 6.631 959 1HD LYS 136 2HD LYS 136 9.238 21.307 5.212 960 2HD LYS 136 3HD LYS 136 9.233 22.486 6.508 961 1HE LYS 136 2HE LYS 136 11.440 21.175 7.279 962 2HE LYS 136 3HE LYS 136 11.476 20.675 5.600 963 1HZ LYS 136 1HZ LYS 136 12.556 22.887 6.359 964 2HZ LYS 136 2HZ LYS 136 11.813 22.790 4.908 965 3HZ LYS 136 3HZ LYS 136 11.048 23.486 6.172 966 H THR 137 HN THR 137 8.294 18.571 9.953 967 HA THR 137 HA THR 137 7.260 16.466 8.166 968 HB THR 137 HB THR 137 9.477 15.336 8.754 969 HG1 THR 137 1HG THR 137 10.395 16.400 10.470 970 1HG2 THR 137 1HG2 THR 137 10.125 16.301 6.781 971 2HG2 THR 137 2HG2 THR 137 9.105 17.728 7.085 972 3HG2 THR 137 3HG2 THR 137 10.755 17.656 7.749 973 H GLY 138 HN GLY 138 7.530 17.693 11.426 974 1HA GLY 138 1HA GLY 138 6.109 16.948 13.118 975 2HA GLY 138 2HA GLY 138 5.984 15.379 12.348 976 H ASN 139 HN ASN 139 9.214 16.681 12.393 977 HA ASN 139 HA ASN 139 10.935 16.406 13.736 978 1HB ASN 139 2HB ASN 139 9.084 16.295 15.667 979 2HB ASN 139 3HB ASN 139 9.442 14.579 15.648 980 1HD2 ASN 139 1HD2 ASN 139 11.114 17.724 15.594 981 2HD2 ASN 139 2HD2 ASN 139 12.387 17.316 16.694 982 H ALA 140 HN ALA 140 9.009 14.140 12.168 983 HA ALA 140 HA ALA 140 11.078 12.066 12.412 984 1HB ALA 140 1HB ALA 140 9.481 10.413 12.589 985 2HB ALA 140 2HB ALA 140 8.610 11.738 13.398 986 3HB ALA 140 3HB ALA 140 8.256 11.348 11.698 987 H GLY 141 HN GLY 141 12.151 13.197 10.616 988 1HA GLY 141 1HA GLY 141 10.732 12.805 8.048 989 2HA GLY 141 2HA GLY 141 11.870 14.099 8.367 990 H SER 142 HN SER 142 11.498 10.971 7.076 991 HA SER 142 HA SER 142 13.958 10.746 6.082 992 1HB SER 142 2HB SER 142 13.959 9.989 8.945 993 2HB SER 142 3HB SER 142 14.621 8.747 7.902 994 HG SER 142 HG SER 142 16.389 9.991 8.239 995 H ARG 143 HN ARG 143 12.861 9.716 4.390 996 HA ARG 143 HA ARG 143 10.867 7.951 4.573 997 1HB ARG 143 2HB ARG 143 13.126 8.275 2.576 998 2HB ARG 143 3HB ARG 143 11.988 6.961 2.357 999 1HG ARG 143 2HG ARG 143 10.820 8.571 1.189 1000 2HG ARG 143 3HG ARG 143 10.198 8.947 2.783 1001 1HD ARG 143 2HD ARG 143 12.756 10.307 2.336 1002 2HD ARG 143 3HD ARG 143 11.625 10.690 1.054 1003 HE ARG 143 HE ARG 143 10.458 10.847 3.745 1004 1HH1 ARG 143 2HH2 ARG 143 12.163 12.598 1.214 1005 2HH1 ARG 143 1HH2 ARG 143 11.652 14.157 1.771 1006 1HH2 ARG 143 2HH1 ARG 143 9.783 12.903 4.480 1007 2HH2 ARG 143 1HH1 ARG 143 10.289 14.331 3.641 1008 H LEU 144 HN LEU 144 10.862 5.504 4.105 1009 HA LEU 144 HA LEU 144 13.172 4.232 5.398 1010 1HB LEU 144 2HB LEU 144 10.233 3.668 5.789 1011 2HB LEU 144 3HB LEU 144 11.508 2.581 6.304 1012 HG LEU 144 HG LEU 144 11.207 5.440 7.264 1013 1HD1 LEU 144 1HD1 LEU 144 9.332 4.372 8.148 1014 2HD1 LEU 144 2HD1 LEU 144 10.198 2.835 8.393 1015 3HD1 LEU 144 3HD1 LEU 144 10.548 4.231 9.441 1016 1HD2 LEU 144 1HD2 LEU 144 13.431 3.755 7.335 1017 2HD2 LEU 144 2HD2 LEU 144 13.164 5.230 8.295 1018 3HD2 LEU 144 3HD2 LEU 144 12.722 3.641 8.964 1019 H ALA 145 HN ALA 145 10.156 3.047 3.777 1020 HA ALA 145 HA ALA 145 11.923 1.714 1.840 1021 1HB ALA 145 1HB ALA 145 9.668 0.196 1.829 1022 2HB ALA 145 2HB ALA 145 11.067 -0.129 2.880 1023 3HB ALA 145 3HB ALA 145 9.660 0.754 3.519 1024 H CYS 146 HN CYS 146 10.416 1.028 -0.179 1025 HA CYS 146 HA CYS 146 8.491 3.104 -0.750 1026 1HB CYS 146 2HB CYS 146 9.891 3.194 -3.083 1027 2HB CYS 146 3HB CYS 146 9.952 4.398 -1.811 1028 H GLY 147 HN GLY 147 7.334 0.915 -0.435 1029 1HA GLY 147 1HA GLY 147 7.593 -1.370 -1.787 1030 2HA GLY 147 2HA GLY 147 6.039 -0.607 -1.517 1031 H VAL 148 HN VAL 148 5.787 1.484 -3.155 1032 HA VAL 148 HA VAL 148 5.477 2.158 -5.238 1033 HB VAL 148 HB VAL 148 7.828 0.349 -5.820 1034 1HG1 VAL 148 1HG1 VAL 148 6.094 1.943 -7.604 1035 2HG1 VAL 148 2HG1 VAL 148 7.840 2.226 -7.807 1036 3HG1 VAL 148 3HG1 VAL 148 7.180 0.580 -7.969 1037 1HG2 VAL 148 1HG2 VAL 148 8.327 3.184 -6.069 1038 2HG2 VAL 148 2HG2 VAL 148 7.663 2.816 -4.459 1039 3HG2 VAL 148 3HG2 VAL 148 9.128 1.981 -5.030 1040 H ILE 149 HN ILE 149 3.571 1.577 -6.129 1041 HA ILE 149 HA ILE 149 2.775 -1.138 -6.214 1042 HB ILE 149 HB ILE 149 1.633 1.502 -6.956 1043 1HG1 ILE 149 2HG1 ILE 149 -0.272 0.556 -5.598 1044 2HG1 ILE 149 3HG1 ILE 149 0.717 -0.858 -5.291 1045 1HG2 ILE 149 1HG2 ILE 149 0.765 0.667 -8.860 1046 2HG2 ILE 149 2HG2 ILE 149 0.990 -1.025 -8.355 1047 3HG2 ILE 149 3HG2 ILE 149 -0.400 -0.092 -7.749 1048 1HD1 ILE 149 1HD1 ILE 149 0.722 1.467 -3.767 1049 2HD1 ILE 149 2HD1 ILE 149 2.003 0.232 -3.758 1050 3HD1 ILE 149 3HD1 ILE 149 2.163 1.672 -4.792 1051 H GLY 150 HN GLY 150 2.782 -2.619 -7.877 1052 1HA GLY 150 1HA GLY 150 3.626 -1.699 -10.533 1053 2HA GLY 150 2HA GLY 150 4.613 -2.891 -9.710 1054 H ILE 151 HN ILE 151 1.935 -2.415 -11.773 1055 HA ILE 151 HA ILE 151 0.076 -4.247 -11.202 1056 HB ILE 151 HB ILE 151 1.364 -3.457 -13.791 1057 1HG1 ILE 151 2HG1 ILE 151 -0.011 -1.798 -12.651 1058 2HG1 ILE 151 3HG1 ILE 151 -0.761 -2.311 -14.149 1059 1HG2 ILE 151 1HG2 ILE 151 0.716 -5.662 -14.319 1060 2HG2 ILE 151 2HG2 ILE 151 -0.799 -5.528 -13.393 1061 3HG2 ILE 151 3HG2 ILE 151 -0.600 -4.619 -14.910 1062 1HD1 ILE 151 1HD1 ILE 151 -2.557 -2.351 -12.614 1063 2HD1 ILE 151 2HD1 ILE 151 -2.044 -4.054 -12.666 1064 3HD1 ILE 151 3HD1 ILE 151 -1.547 -3.016 -11.308 1065 H ALA 152 HN ALA 152 -0.264 -6.502 -11.439 1066 HA ALA 152 HA ALA 152 2.079 -8.093 -12.116 1067 1HB ALA 152 1HB ALA 152 2.541 -8.292 -9.898 1068 2HB ALA 152 2HB ALA 152 0.922 -7.737 -9.408 1069 3HB ALA 152 3HB ALA 152 1.172 -9.428 -9.903 1070 H GLN 153 HN GLN 153 1.396 -10.515 -12.178 1071 HA GLN 153 HA GLN 153 -1.426 -10.726 -12.817 1072 1HB GLN 153 2HB GLN 153 0.571 -10.549 -14.797 1073 2HB GLN 153 3HB GLN 153 0.229 -12.265 -14.691 1074 1HG GLN 153 2HG GLN 153 -2.326 -11.339 -14.655 1075 2HG GLN 153 3HG GLN 153 -1.579 -10.013 -15.523 1076 1HE2 GLN 153 1HE2 GLN 153 -3.303 -12.593 -16.047 1077 2HE2 GLN 153 2HE2 GLN 153 -2.663 -13.212 -17.532 Start of MODEL 25 1 1H ALA 1 HN ALA 1 -8.214 -0.983 -11.146 2 HA ALA 1 HA ALA 1 -8.774 -1.773 -13.148 3 1HB ALA 1 1HB ALA 1 -8.105 -0.617 -14.981 4 2HB ALA 1 2HB ALA 1 -7.231 0.411 -13.819 5 3HB ALA 1 3HB ALA 1 -6.380 -0.913 -14.653 6 H THR 2 HN THR 2 -5.490 -2.133 -11.873 7 HA THR 2 HA THR 2 -5.559 -4.929 -12.757 8 HB THR 2 HB THR 2 -3.079 -3.143 -12.872 9 HG1 THR 2 1HG THR 2 -4.985 -4.081 -14.900 10 1HG2 THR 2 1HG2 THR 2 -3.810 -5.955 -13.750 11 2HG2 THR 2 2HG2 THR 2 -2.625 -5.025 -14.698 12 3HG2 THR 2 3HG2 THR 2 -2.310 -5.380 -12.983 13 H LYS 3 HN LYS 3 -3.630 -6.136 -11.557 14 HA LYS 3 HA LYS 3 -4.045 -5.452 -8.749 15 1HB LYS 3 2HB LYS 3 -4.732 -7.664 -9.231 16 2HB LYS 3 3HB LYS 3 -3.308 -7.998 -10.196 17 1HG LYS 3 2HG LYS 3 -2.454 -7.162 -7.554 18 2HG LYS 3 3HG LYS 3 -3.669 -8.412 -7.376 19 1HD LYS 3 2HD LYS 3 -2.205 -9.549 -9.364 20 2HD LYS 3 3HD LYS 3 -0.945 -8.572 -8.638 21 1HE LYS 3 2HE LYS 3 -2.480 -9.887 -6.538 22 2HE LYS 3 3HE LYS 3 -1.956 -11.079 -7.711 23 1HZ LYS 3 1HZ LYS 3 -0.115 -10.948 -6.458 24 2HZ LYS 3 2HZ LYS 3 0.256 -9.716 -7.463 25 3HZ LYS 3 3HZ LYS 3 -0.363 -9.406 -5.984 26 H ALA 4 HN ALA 4 -2.563 -3.755 -8.447 27 HA ALA 4 HA ALA 4 0.171 -4.162 -9.281 28 1HB ALA 4 1HB ALA 4 0.484 -1.892 -8.459 29 2HB ALA 4 2HB ALA 4 -1.010 -1.956 -9.424 30 3HB ALA 4 3HB ALA 4 -1.099 -1.930 -7.646 31 H VAL 5 HN VAL 5 1.989 -4.098 -7.747 32 HA VAL 5 HA VAL 5 1.240 -4.886 -5.031 33 HB VAL 5 HB VAL 5 3.493 -6.312 -6.353 34 1HG1 VAL 5 1HG1 VAL 5 1.946 -8.098 -4.893 35 2HG1 VAL 5 2HG1 VAL 5 3.403 -7.251 -4.320 36 3HG1 VAL 5 3HG1 VAL 5 1.791 -6.573 -3.988 37 1HG2 VAL 5 1HG2 VAL 5 1.680 -6.441 -8.032 38 2HG2 VAL 5 2HG2 VAL 5 2.036 -8.023 -7.298 39 3HG2 VAL 5 3HG2 VAL 5 0.595 -7.110 -6.790 40 H ALA 6 HN ALA 6 2.699 -4.194 -3.428 41 HA ALA 6 HA ALA 6 5.076 -2.785 -4.376 42 1HB ALA 6 1HB ALA 6 2.647 -1.605 -3.165 43 2HB ALA 6 2HB ALA 6 4.171 -1.125 -2.381 44 3HB ALA 6 3HB ALA 6 3.937 -0.838 -4.122 45 H VAL 7 HN VAL 7 6.413 -4.416 -3.527 46 HA VAL 7 HA VAL 7 5.987 -5.267 -0.805 47 HB VAL 7 HB VAL 7 6.663 -6.831 -2.556 48 1HG1 VAL 7 1HG1 VAL 7 8.297 -6.439 -4.030 49 2HG1 VAL 7 2HG1 VAL 7 8.398 -4.790 -3.366 50 3HG1 VAL 7 3HG1 VAL 7 9.465 -6.070 -2.739 51 1HG2 VAL 7 1HG2 VAL 7 8.321 -6.354 -0.124 52 2HG2 VAL 7 2HG2 VAL 7 7.317 -7.753 -0.575 53 3HG2 VAL 7 3HG2 VAL 7 8.927 -7.542 -1.302 54 H LEU 8 HN LEU 8 6.346 -3.582 0.624 55 HA LEU 8 HA LEU 8 8.061 -1.519 0.405 56 1HB LEU 8 2HB LEU 8 7.111 -3.102 2.771 57 2HB LEU 8 3HB LEU 8 8.217 -1.760 2.986 58 HG LEU 8 HG LEU 8 5.700 -1.334 3.262 59 1HD1 LEU 8 1HD1 LEU 8 7.651 0.340 1.730 60 2HD1 LEU 8 2HD1 LEU 8 5.971 0.902 1.901 61 3HD1 LEU 8 3HD1 LEU 8 6.954 0.583 3.350 62 1HD2 LEU 8 1HD2 LEU 8 4.763 -2.405 1.379 63 2HD2 LEU 8 2HD2 LEU 8 4.594 -0.659 1.078 64 3HD2 LEU 8 3HD2 LEU 8 5.873 -1.584 0.256 65 H LYS 9 HN LYS 9 10.246 -1.078 0.730 66 HA LYS 9 HA LYS 9 12.027 -2.893 1.890 67 1HB LYS 9 2HB LYS 9 11.327 -4.026 -0.376 68 2HB LYS 9 3HB LYS 9 12.421 -2.858 -1.090 69 1HG LYS 9 2HG LYS 9 13.240 -4.641 1.245 70 2HG LYS 9 3HG LYS 9 13.439 -5.135 -0.424 71 1HD LYS 9 2HD LYS 9 14.679 -2.831 -0.725 72 2HD LYS 9 3HD LYS 9 14.780 -2.827 1.025 73 1HE LYS 9 2HE LYS 9 15.906 -5.068 0.961 74 2HE LYS 9 3HE LYS 9 15.815 -5.060 -0.789 75 1HZ LYS 9 1HZ LYS 9 17.209 -3.029 0.813 76 2HZ LYS 9 2HZ LYS 9 17.934 -4.269 0.036 77 3HZ LYS 9 3HZ LYS 9 17.174 -3.102 -0.818 78 H GLY 10 HN GLY 10 13.554 -1.568 2.704 79 1HA GLY 10 1HA GLY 10 15.005 0.276 1.164 80 2HA GLY 10 2HA GLY 10 13.728 1.141 1.996 81 H ASP 11 HN ASP 11 13.623 1.083 4.369 82 HA ASP 11 HA ASP 11 15.857 1.638 5.635 83 1HB ASP 11 2HB ASP 11 13.501 1.675 6.570 84 2HB ASP 11 3HB ASP 11 13.623 -0.050 6.856 85 H GLY 12 HN GLY 12 14.400 -1.671 5.275 86 1HA GLY 12 1HA GLY 12 16.141 -3.392 4.762 87 2HA GLY 12 2HA GLY 12 16.953 -2.835 6.212 88 HA PRO 13 HA PRO 13 14.254 -5.166 8.710 89 1HB PRO 13 2HB PRO 13 13.310 -3.532 10.687 90 2HB PRO 13 3HB PRO 13 14.927 -4.208 10.693 91 1HG PRO 13 2HG PRO 13 14.076 -1.443 10.084 92 2HG PRO 13 3HG PRO 13 15.671 -2.033 10.508 93 1HD PRO 13 2HD PRO 13 14.750 -1.307 7.890 94 2HD PRO 13 3HD PRO 13 16.304 -2.005 8.298 95 H VAL 14 HN VAL 14 12.723 -2.253 7.595 96 HA VAL 14 HA VAL 14 10.104 -3.365 8.032 97 HB VAL 14 HB VAL 14 11.169 -0.837 7.858 98 1HG1 VAL 14 1HG1 VAL 14 10.048 0.235 5.925 99 2HG1 VAL 14 2HG1 VAL 14 11.316 -0.912 5.431 100 3HG1 VAL 14 3HG1 VAL 14 9.602 -1.375 5.313 101 1HG2 VAL 14 1HG2 VAL 14 9.240 -0.503 8.923 102 2HG2 VAL 14 2HG2 VAL 14 8.363 -0.635 7.379 103 3HG2 VAL 14 3HG2 VAL 14 8.647 -2.087 8.369 104 H GLN 15 HN GLN 15 9.301 -4.927 6.733 105 HA GLN 15 HA GLN 15 9.862 -4.635 3.894 106 1HB GLN 15 2HB GLN 15 9.789 -7.347 5.267 107 2HB GLN 15 3HB GLN 15 10.302 -6.989 3.630 108 1HG GLN 15 2HG GLN 15 12.425 -6.745 4.381 109 2HG GLN 15 3HG GLN 15 11.915 -5.341 5.296 110 1HE2 GLN 15 1HE2 GLN 15 10.109 -6.631 7.049 111 2HE2 GLN 15 2HE2 GLN 15 11.004 -7.597 8.174 112 H GLY 16 HN GLY 16 7.611 -3.522 4.675 113 1HA GLY 16 1HA GLY 16 5.404 -5.202 5.178 114 2HA GLY 16 2HA GLY 16 5.364 -3.554 4.584 115 H ILE 17 HN ILE 17 3.483 -5.367 3.633 116 HA ILE 17 HA ILE 17 4.316 -5.555 0.845 117 HB ILE 17 HB ILE 17 3.235 -7.819 2.512 118 1HG1 ILE 17 2HG1 ILE 17 5.523 -7.994 0.580 119 2HG1 ILE 17 3HG1 ILE 17 5.785 -7.231 2.136 120 1HG2 ILE 17 1HG2 ILE 17 2.745 -7.209 -0.311 121 2HG2 ILE 17 2HG2 ILE 17 3.468 -8.813 -0.044 122 3HG2 ILE 17 3HG2 ILE 17 1.948 -8.375 0.773 123 1HD1 ILE 17 1HD1 ILE 17 4.317 -9.559 2.755 124 2HD1 ILE 17 2HD1 ILE 17 5.472 -10.070 1.501 125 3HD1 ILE 17 3HD1 ILE 17 6.062 -9.308 2.999 126 H ILE 18 HN ILE 18 2.965 -4.138 -0.126 127 HA ILE 18 HA ILE 18 0.123 -4.405 0.529 128 HB ILE 18 HB ILE 18 0.688 -2.498 1.738 129 1HG1 ILE 18 2HG1 ILE 18 -1.260 -2.266 0.173 130 2HG1 ILE 18 3HG1 ILE 18 -0.550 -0.755 0.705 131 1HG2 ILE 18 1HG2 ILE 18 2.668 -1.547 1.399 132 2HG2 ILE 18 2HG2 ILE 18 2.774 -2.195 -0.255 133 3HG2 ILE 18 3HG2 ILE 18 1.930 -0.657 0.046 134 1HD1 ILE 18 1HD1 ILE 18 -0.519 -0.237 -1.521 135 2HD1 ILE 18 2HD1 ILE 18 0.936 -1.261 -1.569 136 3HD1 ILE 18 3HD1 ILE 18 -0.648 -1.943 -2.012 137 H ASN 19 HN ASN 19 -1.218 -4.483 -1.240 138 HA ASN 19 HA ASN 19 0.091 -3.935 -3.787 139 1HB ASN 19 2HB ASN 19 -2.110 -5.857 -4.012 140 2HB ASN 19 3HB ASN 19 -0.448 -6.030 -4.542 141 1HD2 ASN 19 1HD2 ASN 19 0.313 -7.853 -3.793 142 2HD2 ASN 19 2HD2 ASN 19 0.199 -8.451 -2.172 143 H PHE 20 HN PHE 20 -1.634 -3.486 -5.576 144 HA PHE 20 HA PHE 20 -4.071 -2.359 -4.403 145 1HB PHE 20 2HB PHE 20 -1.818 -1.149 -5.977 146 2HB PHE 20 3HB PHE 20 -3.407 -0.741 -6.595 147 HD1 PHE 20 1HD PHE 20 -3.948 1.407 -5.967 148 HD2 PHE 20 2HD PHE 20 -2.076 -1.126 -3.123 149 HE1 PHE 20 1HE PHE 20 -4.164 3.201 -4.226 150 HE2 PHE 20 2HE PHE 20 -2.292 0.669 -1.382 151 HZ PHE 20 HZ PHE 20 -3.333 2.811 -1.954 152 H GLU 21 HN GLU 21 -5.617 -3.746 -5.194 153 HA GLU 21 HA GLU 21 -5.446 -4.295 -8.055 154 1HB GLU 21 2HB GLU 21 -5.239 -6.311 -6.589 155 2HB GLU 21 3HB GLU 21 -6.803 -5.954 -5.884 156 1HG GLU 21 2HG GLU 21 -7.908 -6.223 -8.072 157 2HG GLU 21 3HG GLU 21 -6.360 -6.424 -8.869 158 H GLN 22 HN GLN 22 -6.951 -3.246 -9.275 159 HA GLN 22 HA GLN 22 -9.563 -2.856 -8.088 160 1HB GLN 22 2HB GLN 22 -8.401 -0.742 -7.658 161 2HB GLN 22 3HB GLN 22 -7.878 -0.638 -9.327 162 1HG GLN 22 2HG GLN 22 -10.706 -0.976 -9.435 163 2HG GLN 22 3HG GLN 22 -10.420 0.177 -8.146 164 1HE2 GLN 22 1HE2 GLN 22 -10.259 -0.476 -11.528 165 2HE2 GLN 22 2HE2 GLN 22 -9.813 1.102 -12.085 166 H LYS 23 HN LYS 23 -9.380 -4.867 -9.737 167 HA LYS 23 HA LYS 23 -9.445 -4.095 -12.493 168 1HB LYS 23 2HB LYS 23 -9.416 -6.583 -10.920 169 2HB LYS 23 3HB LYS 23 -10.411 -6.673 -12.359 170 1HG LYS 23 2HG LYS 23 -8.459 -5.718 -13.689 171 2HG LYS 23 3HG LYS 23 -7.479 -5.827 -12.240 172 1HD LYS 23 2HD LYS 23 -8.933 -8.217 -13.463 173 2HD LYS 23 3HD LYS 23 -7.271 -7.808 -13.838 174 1HE LYS 23 2HE LYS 23 -6.536 -8.222 -11.592 175 2HE LYS 23 3HE LYS 23 -8.168 -8.166 -10.954 176 1HZ LYS 23 1HZ LYS 23 -7.719 -10.393 -11.105 177 2HZ LYS 23 2HZ LYS 23 -8.539 -10.147 -12.495 178 3HZ LYS 23 3HZ LYS 23 -6.912 -10.281 -12.520 179 H GLU 24 HN GLU 24 -11.141 -2.373 -12.071 180 HA GLU 24 HA GLU 24 -13.732 -3.642 -12.423 181 1HB GLU 24 2HB GLU 24 -12.974 -2.185 -10.113 182 2HB GLU 24 3HB GLU 24 -13.979 -1.083 -11.033 183 1HG GLU 24 2HG GLU 24 -15.802 -2.186 -10.261 184 2HG GLU 24 3HG GLU 24 -15.314 -3.574 -11.213 185 H SER 25 HN SER 25 -11.752 -0.617 -12.641 186 HA SER 25 HA SER 25 -11.475 0.711 -14.376 187 1HB SER 25 2HB SER 25 -13.854 -0.481 -15.841 188 2HB SER 25 3HB SER 25 -12.484 0.374 -16.523 189 HG SER 25 HG SER 25 -12.758 -2.281 -16.165 190 H ASN 26 HN ASN 26 -14.229 0.236 -12.460 191 HA ASN 26 HA ASN 26 -14.837 2.983 -12.540 192 1HB ASN 26 2HB ASN 26 -17.160 2.854 -13.303 193 2HB ASN 26 3HB ASN 26 -16.150 2.143 -14.545 194 1HD2 ASN 26 1HD2 ASN 26 -18.870 1.646 -14.287 195 2HD2 ASN 26 2HD2 ASN 26 -19.135 -0.017 -13.883 196 H GLY 27 HN GLY 27 -13.992 0.811 -10.683 197 1HA GLY 27 1HA GLY 27 -16.263 0.920 -8.795 198 2HA GLY 27 2HA GLY 27 -15.368 -0.561 -9.069 199 HA PRO 28 HA PRO 28 -13.254 1.764 -5.758 200 1HB PRO 28 2HB PRO 28 -13.527 -0.062 -3.743 201 2HB PRO 28 3HB PRO 28 -14.617 1.292 -3.963 202 1HG PRO 28 2HG PRO 28 -15.065 -1.566 -4.572 203 2HG PRO 28 3HG PRO 28 -16.247 -0.286 -4.381 204 1HD PRO 28 2HD PRO 28 -15.347 -1.436 -6.850 205 2HD PRO 28 3HD PRO 28 -16.440 -0.079 -6.662 206 H VAL 29 HN VAL 29 -11.154 1.501 -4.828 207 HA VAL 29 HA VAL 29 -9.773 -0.635 -6.261 208 HB VAL 29 HB VAL 29 -8.824 1.894 -4.904 209 1HG1 VAL 29 1HG1 VAL 29 -7.015 0.271 -6.645 210 2HG1 VAL 29 2HG1 VAL 29 -6.634 1.335 -5.269 211 3HG1 VAL 29 3HG1 VAL 29 -7.297 -0.291 -4.979 212 1HG2 VAL 29 1HG2 VAL 29 -8.551 1.257 -7.833 213 2HG2 VAL 29 2HG2 VAL 29 -10.082 1.900 -7.194 214 3HG2 VAL 29 3HG2 VAL 29 -8.579 2.837 -7.013 215 H LYS 30 HN LYS 30 -9.329 -2.489 -5.200 216 HA LYS 30 HA LYS 30 -9.699 -2.627 -2.378 217 1HB LYS 30 2HB LYS 30 -9.343 -4.474 -4.628 218 2HB LYS 30 3HB LYS 30 -8.520 -5.004 -3.175 219 1HG LYS 30 2HG LYS 30 -10.870 -4.234 -2.049 220 2HG LYS 30 3HG LYS 30 -11.460 -4.602 -3.658 221 1HD LYS 30 2HD LYS 30 -10.374 -6.874 -3.507 222 2HD LYS 30 3HD LYS 30 -9.867 -6.502 -1.872 223 1HE LYS 30 2HE LYS 30 -12.159 -6.367 -1.088 224 2HE LYS 30 3HE LYS 30 -12.792 -6.370 -2.722 225 1HZ LYS 30 1HZ LYS 30 -11.162 -8.615 -1.847 226 2HZ LYS 30 2HZ LYS 30 -12.719 -8.532 -1.361 227 3HZ LYS 30 3HZ LYS 30 -12.362 -8.580 -2.954 228 H VAL 31 HN VAL 31 -8.216 -1.276 -1.335 229 HA VAL 31 HA VAL 31 -5.396 -1.773 -1.917 230 HB VAL 31 HB VAL 31 -6.787 0.377 -0.306 231 1HG1 VAL 31 1HG1 VAL 31 -4.731 0.426 0.686 232 2HG1 VAL 31 2HG1 VAL 31 -3.913 -0.317 -0.709 233 3HG1 VAL 31 3HG1 VAL 31 -4.355 1.407 -0.750 234 1HG2 VAL 31 1HG2 VAL 31 -6.965 0.245 -2.929 235 2HG2 VAL 31 2HG2 VAL 31 -6.623 1.795 -2.123 236 3HG2 VAL 31 3HG2 VAL 31 -5.299 0.868 -2.868 237 H TRP 32 HN TRP 32 -4.440 -3.359 -0.758 238 HA TRP 32 HA TRP 32 -5.021 -3.450 2.101 239 1HB TRP 32 2HB TRP 32 -5.698 -5.607 2.189 240 2HB TRP 32 3HB TRP 32 -6.395 -5.150 0.648 241 HD1 TRP 32 HD1 TRP 32 -3.389 -7.168 2.041 242 HE1 TRP 32 HE1 TRP 32 -2.526 -8.919 0.265 243 HE3 TRP 32 HE3 TRP 32 -6.397 -5.597 -1.745 244 HZ2 TRP 32 HZ2 TRP 32 -3.183 -9.438 -2.463 245 HZ3 TRP 32 HZ3 TRP 32 -6.224 -6.779 -3.933 246 HH2 TRP 32 HH2 TRP 32 -4.686 -8.638 -4.324 247 H GLY 33 HN GLY 33 -3.235 -4.524 3.295 248 1HA GLY 33 1HA GLY 33 -0.901 -5.450 2.012 249 2HA GLY 33 2HA GLY 33 -0.708 -3.751 2.395 250 H SER 34 HN SER 34 1.062 -5.167 3.716 251 HA SER 34 HA SER 34 0.140 -4.992 6.405 252 1HB SER 34 2HB SER 34 0.842 -7.653 5.142 253 2HB SER 34 3HB SER 34 1.173 -7.386 6.842 254 HG SER 34 HG SER 34 -1.367 -7.382 5.484 255 H ILE 35 HN ILE 35 1.779 -3.915 7.437 256 HA ILE 35 HA ILE 35 4.392 -3.909 6.213 257 HB ILE 35 HB ILE 35 2.822 -2.183 7.912 258 1HG1 ILE 35 2HG1 ILE 35 5.061 -0.801 7.026 259 2HG1 ILE 35 3HG1 ILE 35 4.859 -2.049 5.812 260 1HG2 ILE 35 1HG2 ILE 35 4.258 -3.031 9.709 261 2HG2 ILE 35 2HG2 ILE 35 5.702 -2.603 8.760 262 3HG2 ILE 35 3HG2 ILE 35 4.605 -1.325 9.337 263 1HD1 ILE 35 1HD1 ILE 35 3.043 0.224 6.526 264 2HD1 ILE 35 2HD1 ILE 35 3.387 -0.502 4.937 265 3HD1 ILE 35 3HD1 ILE 35 2.262 -1.305 6.059 266 H LYS 36 HN LYS 36 6.373 -4.177 7.643 267 HA LYS 36 HA LYS 36 6.017 -5.836 9.956 268 1HB LYS 36 2HB LYS 36 7.222 -7.015 7.435 269 2HB LYS 36 3HB LYS 36 7.336 -7.736 9.027 270 1HG LYS 36 2HG LYS 36 4.731 -7.583 9.088 271 2HG LYS 36 3HG LYS 36 4.828 -7.269 7.367 272 1HD LYS 36 2HD LYS 36 6.529 -9.507 7.824 273 2HD LYS 36 3HD LYS 36 5.099 -9.806 8.791 274 1HE LYS 36 2HE LYS 36 3.824 -9.023 6.564 275 2HE LYS 36 3HE LYS 36 5.330 -9.485 5.795 276 1HZ LYS 36 1HZ LYS 36 3.652 -11.272 6.018 277 2HZ LYS 36 2HZ LYS 36 5.115 -11.653 6.635 278 3HZ LYS 36 3HZ LYS 36 3.886 -11.257 7.635 279 H GLY 37 HN GLY 37 7.248 -4.530 11.241 280 1HA GLY 37 1HA GLY 37 9.798 -4.565 11.642 281 2HA GLY 37 2HA GLY 37 9.829 -3.600 10.180 282 H LEU 38 HN LEU 38 7.337 -2.141 10.592 283 HA LEU 38 HA LEU 38 8.271 0.023 12.015 284 1HB LEU 38 2HB LEU 38 5.642 -0.870 10.951 285 2HB LEU 38 3HB LEU 38 5.634 0.442 12.113 286 HG LEU 38 HG LEU 38 7.622 1.210 10.342 287 1HD1 LEU 38 1HD1 LEU 38 6.560 -0.795 8.956 288 2HD1 LEU 38 2HD1 LEU 38 5.386 0.468 8.514 289 3HD1 LEU 38 3HD1 LEU 38 7.118 0.706 8.179 290 1HD2 LEU 38 1HD2 LEU 38 5.734 2.515 11.440 291 2HD2 LEU 38 2HD2 LEU 38 6.185 2.993 9.786 292 3HD2 LEU 38 3HD2 LEU 38 4.724 2.015 10.062 293 H THR 39 HN THR 39 6.267 0.819 13.827 294 HA THR 39 HA THR 39 6.410 -1.247 15.913 295 HB THR 39 HB THR 39 7.019 0.615 17.506 296 HG1 THR 39 1HG THR 39 6.673 2.597 16.586 297 1HG2 THR 39 1HG2 THR 39 9.086 1.080 15.430 298 2HG2 THR 39 2HG2 THR 39 9.266 0.401 17.065 299 3HG2 THR 39 3HG2 THR 39 8.762 -0.646 15.717 300 H GLU 40 HN GLU 40 4.699 -1.291 17.403 301 HA GLU 40 HA GLU 40 2.257 -0.674 16.345 302 1HB GLU 40 2HB GLU 40 1.342 -1.302 18.502 303 2HB GLU 40 3HB GLU 40 2.728 -2.325 18.183 304 1HG GLU 40 2HG GLU 40 3.983 -0.276 19.482 305 2HG GLU 40 3HG GLU 40 2.399 -0.148 20.220 306 H GLY 41 HN GLY 41 1.428 1.313 15.870 307 1HA GLY 41 1HA GLY 41 0.629 3.221 17.550 308 2HA GLY 41 2HA GLY 41 2.321 3.639 17.372 309 H LEU 42 HN LEU 42 0.251 5.377 16.509 310 HA LEU 42 HA LEU 42 -0.489 5.088 13.856 311 1HB LEU 42 2HB LEU 42 -0.293 7.296 15.823 312 2HB LEU 42 3HB LEU 42 -0.363 7.764 14.136 313 HG LEU 42 HG LEU 42 -2.387 5.873 15.339 314 1HD1 LEU 42 1HD1 LEU 42 -3.724 7.564 16.118 315 2HD1 LEU 42 2HD1 LEU 42 -2.114 8.224 16.491 316 3HD1 LEU 42 3HD1 LEU 42 -2.996 8.789 15.052 317 1HD2 LEU 42 1HD2 LEU 42 -3.648 6.210 13.441 318 2HD2 LEU 42 2HD2 LEU 42 -2.888 7.778 13.078 319 3HD2 LEU 42 3HD2 LEU 42 -1.996 6.267 12.781 320 H HIS 43 HN HIS 43 0.410 5.739 11.875 321 HA HIS 43 HA HIS 43 3.229 6.519 12.052 322 1HB HIS 43 2HB HIS 43 1.952 4.572 10.111 323 2HB HIS 43 3HB HIS 43 3.595 5.171 9.988 324 HD1 HIS 43 HD1 HIS 43 4.475 4.933 12.968 325 HD2 HIS 43 HD2 HIS 43 2.387 1.966 10.862 326 HE1 HIS 43 HE1 HIS 43 4.959 2.731 14.164 327 H GLY 44 HN GLY 44 3.928 7.347 9.681 328 1HA GLY 44 1HA GLY 44 2.153 9.578 9.153 329 2HA GLY 44 2HA GLY 44 3.764 9.311 8.517 330 H PHE 45 HN PHE 45 2.221 10.180 6.597 331 HA PHE 45 HA PHE 45 0.698 8.071 5.375 332 1HB PHE 45 2HB PHE 45 1.652 10.780 4.281 333 2HB PHE 45 3HB PHE 45 0.272 9.864 3.707 334 HD1 PHE 45 1HD PHE 45 -1.349 9.230 5.896 335 HD2 PHE 45 2HD PHE 45 1.049 12.695 5.393 336 HE1 PHE 45 1HE PHE 45 -2.841 10.491 7.471 337 HE2 PHE 45 2HE PHE 45 -0.444 13.956 6.968 338 HZ PHE 45 HZ PHE 45 -2.371 12.839 7.988 339 H HIS 46 HN HIS 46 1.103 7.817 2.844 340 HA HIS 46 HA HIS 46 3.944 7.172 2.604 341 1HB HIS 46 2HB HIS 46 2.155 6.005 0.608 342 2HB HIS 46 3HB HIS 46 3.370 5.246 1.617 343 HD1 HIS 46 HD1 HIS 46 2.493 3.698 3.373 344 HD2 HIS 46 HD2 HIS 46 -0.372 6.519 2.179 345 HE1 HIS 46 HE1 HIS 46 0.338 3.091 4.598 346 H VAL 47 HN VAL 47 4.751 7.257 0.215 347 HA VAL 47 HA VAL 47 5.251 8.483 -1.552 348 HB VAL 47 HB VAL 47 2.372 9.399 -1.429 349 1HG1 VAL 47 1HG1 VAL 47 3.686 9.067 -4.046 350 2HG1 VAL 47 2HG1 VAL 47 2.642 10.376 -3.440 351 3HG1 VAL 47 3HG1 VAL 47 4.377 10.362 -3.039 352 1HG2 VAL 47 1HG2 VAL 47 3.128 6.805 -1.555 353 2HG2 VAL 47 2HG2 VAL 47 1.680 7.451 -2.363 354 3HG2 VAL 47 3HG2 VAL 47 3.187 7.227 -3.284 355 H HIS 48 HN HIS 48 6.146 10.528 -2.036 356 HA HIS 48 HA HIS 48 5.296 12.891 -0.849 357 1HB HIS 48 2HB HIS 48 6.777 13.271 0.929 358 2HB HIS 48 3HB HIS 48 6.128 11.667 1.207 359 HD1 HIS 48 HD1 HIS 48 7.790 9.627 0.287 360 HD2 HIS 48 HD2 HIS 48 9.511 13.385 1.002 361 HE1 HIS 48 HE1 HIS 48 10.301 9.233 0.502 362 H GLU 49 HN GLU 49 5.715 12.606 -3.385 363 HA GLU 49 HA GLU 49 7.060 12.835 -5.139 364 1HB GLU 49 2HB GLU 49 7.970 15.163 -5.250 365 2HB GLU 49 3HB GLU 49 6.328 15.105 -4.641 366 1HG GLU 49 2HG GLU 49 6.966 15.634 -2.445 367 2HG GLU 49 3HG GLU 49 8.576 14.966 -2.634 368 H GLU 50 HN GLU 50 8.400 10.903 -4.096 369 HA GLU 50 HA GLU 50 10.664 11.115 -2.761 370 1HB GLU 50 2HB GLU 50 9.700 9.019 -3.757 371 2HB GLU 50 3HB GLU 50 10.354 9.478 -5.317 372 1HG GLU 50 2HG GLU 50 11.882 7.899 -4.207 373 2HG GLU 50 3HG GLU 50 12.661 9.461 -4.371 374 H GLU 51 HN GLU 51 13.014 11.192 -3.409 375 HA GLU 51 HA GLU 51 13.369 12.912 -5.735 376 1HB GLU 51 2HB GLU 51 13.683 13.715 -3.067 377 2HB GLU 51 3HB GLU 51 15.324 13.374 -3.581 378 1HG GLU 51 2HG GLU 51 13.360 15.192 -5.057 379 2HG GLU 51 3HG GLU 51 14.674 15.743 -4.036 380 H ASP 52 HN ASP 52 15.616 11.481 -3.271 381 HA ASP 52 HA ASP 52 16.434 9.427 -4.993 382 1HB ASP 52 2HB ASP 52 17.605 11.163 -6.220 383 2HB ASP 52 3HB ASP 52 18.189 11.904 -4.743 384 H ASN 53 HN ASN 53 16.419 8.033 -3.179 385 HA ASN 53 HA ASN 53 18.582 8.088 -1.465 386 1HB ASN 53 2HB ASN 53 16.072 9.421 -0.468 387 2HB ASN 53 3HB ASN 53 16.867 8.335 0.653 388 1HD2 ASN 53 1HD2 ASN 53 16.534 11.361 0.307 389 2HD2 ASN 53 2HD2 ASN 53 18.118 12.014 0.563 390 H THR 54 HN THR 54 17.363 6.187 -3.149 391 HA THR 54 HA THR 54 16.575 4.166 -1.218 392 HB THR 54 HB THR 54 14.393 5.045 -1.805 393 HG1 THR 54 1HG THR 54 15.080 2.926 -3.710 394 1HG2 THR 54 1HG2 THR 54 14.906 4.597 -4.756 395 2HG2 THR 54 2HG2 THR 54 13.697 5.644 -3.975 396 3HG2 THR 54 3HG2 THR 54 15.404 6.145 -4.032 397 H ALA 55 HN ALA 55 16.918 4.854 -4.766 398 HA ALA 55 HA ALA 55 18.277 3.906 -6.257 399 1HB ALA 55 1HB ALA 55 19.737 3.578 -4.007 400 2HB ALA 55 2HB ALA 55 19.419 1.870 -4.395 401 3HB ALA 55 3HB ALA 55 20.231 2.916 -5.584 402 H GLY 56 HN GLY 56 17.139 1.413 -3.864 403 1HA GLY 56 1HA GLY 56 16.534 -0.465 -5.954 404 2HA GLY 56 2HA GLY 56 16.219 -0.628 -4.238 405 H CYS 57 HN CYS 57 15.164 1.660 -6.871 406 HA CYS 57 HA CYS 57 12.501 0.771 -6.758 407 1HB CYS 57 2HB CYS 57 13.251 2.874 -4.871 408 2HB CYS 57 3HB CYS 57 11.968 3.369 -5.957 409 H THR 58 HN THR 58 11.251 1.837 -8.460 410 HA THR 58 HA THR 58 12.983 3.227 -10.356 411 HB THR 58 HB THR 58 10.825 2.726 -11.802 412 HG1 THR 58 1HG THR 58 9.305 1.754 -10.524 413 1HG2 THR 58 1HG2 THR 58 12.790 0.707 -10.680 414 2HG2 THR 58 2HG2 THR 58 11.424 0.125 -11.661 415 3HG2 THR 58 3HG2 THR 58 12.598 1.267 -12.358 416 H SER 59 HN SER 59 9.491 3.569 -9.439 417 HA SER 59 HA SER 59 8.402 5.354 -8.758 418 1HB SER 59 2HB SER 59 10.650 7.300 -9.230 419 2HB SER 59 3HB SER 59 9.429 7.302 -7.973 420 HG SER 59 HG SER 59 11.925 5.984 -8.066 421 H ALA 60 HN ALA 60 7.024 5.328 -10.566 422 HA ALA 60 HA ALA 60 7.801 6.051 -13.143 423 1HB ALA 60 1HB ALA 60 5.421 5.250 -11.710 424 2HB ALA 60 2HB ALA 60 5.034 6.597 -12.807 425 3HB ALA 60 3HB ALA 60 5.783 5.115 -13.447 426 H GLY 61 HN GLY 61 6.101 7.939 -10.549 427 1HA GLY 61 1HA GLY 61 7.178 10.388 -11.772 428 2HA GLY 61 2HA GLY 61 5.453 10.252 -11.496 429 HA PRO 62 HA PRO 62 7.743 10.459 -7.321 430 1HB PRO 62 2HB PRO 62 10.225 11.603 -7.329 431 2HB PRO 62 3HB PRO 62 9.969 9.870 -7.323 432 1HG PRO 62 2HG PRO 62 10.818 11.609 -9.557 433 2HG PRO 62 3HG PRO 62 10.963 9.870 -9.404 434 1HD PRO 62 2HD PRO 62 9.043 11.299 -10.984 435 2HD PRO 62 3HD PRO 62 9.116 9.565 -10.739 436 H HIS 63 HN HIS 63 5.888 12.041 -8.236 437 HA HIS 63 HA HIS 63 6.542 14.474 -6.872 438 1HB HIS 63 2HB HIS 63 6.059 14.426 -9.852 439 2HB HIS 63 3HB HIS 63 5.713 15.846 -8.885 440 HD1 HIS 63 HD1 HIS 63 8.556 13.805 -10.255 441 HD2 HIS 63 HD2 HIS 63 7.992 17.220 -7.885 442 HE1 HIS 63 HE1 HIS 63 10.832 14.946 -10.092 443 H PHE 64 HN PHE 64 4.904 13.850 -5.411 444 HA PHE 64 HA PHE 64 2.216 13.867 -6.596 445 1HB PHE 64 2HB PHE 64 3.461 12.368 -4.218 446 2HB PHE 64 3HB PHE 64 1.727 12.435 -4.465 447 HD1 PHE 64 1HD PHE 64 0.697 11.262 -6.362 448 HD2 PHE 64 2HD PHE 64 4.862 10.977 -5.601 449 HE1 PHE 64 1HE PHE 64 0.835 9.260 -7.870 450 HE2 PHE 64 2HE PHE 64 5.000 8.975 -7.109 451 HZ PHE 64 HZ PHE 64 2.985 8.140 -8.225 452 H ASN 65 HN ASN 65 2.805 16.327 -6.211 453 HA ASN 65 HA ASN 65 1.610 16.952 -3.659 454 1HB ASN 65 2HB ASN 65 4.271 18.058 -4.676 455 2HB ASN 65 3HB ASN 65 3.319 18.913 -3.478 456 1HD2 ASN 65 1HD2 ASN 65 4.414 18.698 -1.662 457 2HD2 ASN 65 2HD2 ASN 65 4.915 17.211 -0.926 458 HA PRO 66 HA PRO 66 0.263 19.363 -7.367 459 1HB PRO 66 2HB PRO 66 -2.305 18.452 -7.577 460 2HB PRO 66 3HB PRO 66 -0.977 17.797 -8.514 461 1HG PRO 66 2HG PRO 66 -2.353 16.621 -6.177 462 2HG PRO 66 3HG PRO 66 -1.340 15.829 -7.368 463 1HD PRO 66 2HD PRO 66 -0.599 16.550 -4.692 464 2HD PRO 66 3HD PRO 66 0.446 15.864 -5.921 465 H LEU 67 HN LEU 67 -1.683 18.570 -4.543 466 HA LEU 67 HA LEU 67 -2.288 21.441 -4.387 467 1HB LEU 67 2HB LEU 67 -3.978 19.052 -4.183 468 2HB LEU 67 3HB LEU 67 -4.196 20.187 -2.866 469 HG LEU 67 HG LEU 67 -4.341 20.999 -5.778 470 1HD1 LEU 67 1HD1 LEU 67 -6.807 20.943 -5.507 471 2HD1 LEU 67 2HD1 LEU 67 -6.049 19.333 -5.439 472 3HD1 LEU 67 3HD1 LEU 67 -6.586 20.128 -3.939 473 1HD2 LEU 67 1HD2 LEU 67 -4.674 23.078 -5.062 474 2HD2 LEU 67 2HD2 LEU 67 -5.882 22.552 -3.864 475 3HD2 LEU 67 3HD2 LEU 67 -4.150 22.521 -3.454 476 H SER 68 HN SER 68 -0.518 18.847 -3.099 477 HA SER 68 HA SER 68 -0.672 18.799 -0.506 478 1HB SER 68 2HB SER 68 1.814 19.165 -2.212 479 2HB SER 68 3HB SER 68 1.939 18.901 -0.485 480 HG SER 68 HG SER 68 0.368 17.138 -2.136 481 H ARG 69 HN ARG 69 2.015 20.965 -1.409 482 HA ARG 69 HA ARG 69 2.450 23.054 -0.958 483 1HB ARG 69 2HB ARG 69 -0.292 23.400 0.343 484 2HB ARG 69 3HB ARG 69 0.758 24.671 -0.251 485 1HG ARG 69 2HG ARG 69 0.178 22.682 -2.342 486 2HG ARG 69 3HG ARG 69 -1.292 23.381 -1.693 487 1HD ARG 69 2HD ARG 69 -0.403 25.676 -2.110 488 2HD ARG 69 3HD ARG 69 1.093 24.997 -2.720 489 HE ARG 69 HE ARG 69 -0.745 23.755 -4.318 490 1HH1 ARG 69 2HH2 ARG 69 -0.341 27.131 -3.412 491 2HH1 ARG 69 1HH2 ARG 69 -1.014 27.740 -4.888 492 1HH2 ARG 69 2HH1 ARG 69 -1.632 24.558 -6.265 493 2HH2 ARG 69 1HH1 ARG 69 -1.753 26.267 -6.521 494 H LYS 70 HN LYS 70 1.208 20.756 1.333 495 HA LYS 70 HA LYS 70 1.729 20.278 3.424 496 1HB LYS 70 2HB LYS 70 4.013 22.182 2.866 497 2HB LYS 70 3HB LYS 70 3.842 21.339 4.392 498 1HG LYS 70 2HG LYS 70 4.931 19.597 3.421 499 2HG LYS 70 3HG LYS 70 3.461 19.296 2.517 500 1HD LYS 70 2HD LYS 70 5.076 19.485 0.809 501 2HD LYS 70 3HD LYS 70 4.363 21.086 0.831 502 1HE LYS 70 2HE LYS 70 6.448 21.926 1.147 503 2HE LYS 70 3HE LYS 70 6.418 21.238 2.758 504 1HZ LYS 70 1HZ LYS 70 7.227 19.155 1.724 505 2HZ LYS 70 2HZ LYS 70 7.438 19.964 0.321 506 3HZ LYS 70 3HZ LYS 70 8.288 20.394 1.647 507 H HIS 71 HN HIS 71 1.589 21.110 5.694 508 HA HIS 71 HA HIS 71 0.696 22.388 7.239 509 1HB HIS 71 2HB HIS 71 1.366 24.521 7.311 510 2HB HIS 71 3HB HIS 71 2.206 24.146 5.819 511 HD1 HIS 71 HD1 HIS 71 1.664 25.612 3.860 512 HD2 HIS 71 HD2 HIS 71 -1.354 25.676 6.773 513 HE1 HIS 71 HE1 HIS 71 -0.034 27.355 3.093 514 H GLY 72 HN GLY 72 -1.396 23.167 7.917 515 1HA GLY 72 1HA GLY 72 -3.585 23.807 7.578 516 2HA GLY 72 2HA GLY 72 -3.408 23.580 5.849 517 H GLY 73 HN GLY 73 -5.228 22.246 5.534 518 1HA GLY 73 1HA GLY 73 -5.668 19.934 7.191 519 2HA GLY 73 2HA GLY 73 -6.568 20.425 5.769 520 HA PRO 74 HA PRO 74 -3.263 17.199 4.811 521 1HB PRO 74 2HB PRO 74 -4.181 14.827 5.811 522 2HB PRO 74 3HB PRO 74 -2.959 15.795 6.610 523 1HG PRO 74 2HG PRO 74 -5.810 15.460 7.314 524 2HG PRO 74 3HG PRO 74 -4.498 16.058 8.308 525 1HD PRO 74 2HD PRO 74 -6.535 17.623 7.031 526 2HD PRO 74 3HD PRO 74 -5.157 18.228 7.929 527 H LYS 75 HN LYS 75 -6.550 17.602 4.517 528 HA LYS 75 HA LYS 75 -6.527 16.839 1.835 529 1HB LYS 75 2HB LYS 75 -6.375 14.550 2.868 530 2HB LYS 75 3HB LYS 75 -7.944 14.822 3.599 531 1HG LYS 75 2HG LYS 75 -8.723 13.879 1.655 532 2HG LYS 75 3HG LYS 75 -8.543 15.505 1.027 533 1HD LYS 75 2HD LYS 75 -6.048 14.736 0.523 534 2HD LYS 75 3HD LYS 75 -6.714 13.120 0.652 535 1HE LYS 75 2HE LYS 75 -8.352 14.955 -1.018 536 2HE LYS 75 3HE LYS 75 -6.741 14.679 -1.649 537 1HZ LYS 75 1HZ LYS 75 -8.473 12.476 -0.789 538 2HZ LYS 75 2HZ LYS 75 -8.482 13.050 -2.317 539 3HZ LYS 75 3HZ LYS 75 -7.122 12.388 -1.702 540 H ASP 76 HN ASP 76 -7.253 19.060 3.540 541 HA ASP 76 HA ASP 76 -10.077 19.132 2.853 542 1HB ASP 76 2HB ASP 76 -9.110 19.077 5.471 543 2HB ASP 76 3HB ASP 76 -9.284 20.796 5.178 544 H GLU 77 HN GLU 77 -7.232 21.077 4.056 545 HA GLU 77 HA GLU 77 -8.091 23.205 2.265 546 1HB GLU 77 2HB GLU 77 -7.027 23.158 4.980 547 2HB GLU 77 3HB GLU 77 -6.009 24.149 3.954 548 1HG GLU 77 2HG GLU 77 -7.590 25.784 3.774 549 2HG GLU 77 3HG GLU 77 -8.864 24.632 3.427 550 H GLU 78 HN GLU 78 -6.347 20.571 1.914 551 HA GLU 78 HA GLU 78 -4.832 21.452 -0.143 552 1HB GLU 78 2HB GLU 78 -3.486 21.869 2.467 553 2HB GLU 78 3HB GLU 78 -2.518 20.976 1.311 554 1HG GLU 78 2HG GLU 78 -2.225 22.800 -0.045 555 2HG GLU 78 3HG GLU 78 -3.897 23.303 0.104 556 H ARG 79 HN ARG 79 -2.608 19.724 -0.141 557 HA ARG 79 HA ARG 79 -3.992 17.191 0.178 558 1HB ARG 79 2HB ARG 79 -2.715 18.263 -2.047 559 2HB ARG 79 3HB ARG 79 -1.455 17.240 -1.386 560 1HG ARG 79 2HG ARG 79 -2.864 15.270 -1.493 561 2HG ARG 79 3HG ARG 79 -4.298 16.227 -1.810 562 1HD ARG 79 2HD ARG 79 -3.911 16.092 -4.041 563 2HD ARG 79 3HD ARG 79 -2.374 16.908 -3.837 564 HE ARG 79 HE ARG 79 -1.620 14.441 -3.113 565 1HH1 ARG 79 2HH2 ARG 79 -3.767 15.381 -5.738 566 2HH1 ARG 79 1HH2 ARG 79 -3.371 14.012 -6.723 567 1HH2 ARG 79 2HH1 ARG 79 -1.098 12.635 -4.412 568 2HH2 ARG 79 1HH1 ARG 79 -1.843 12.440 -5.963 569 H HIS 80 HN HIS 80 -1.520 19.187 1.481 570 HA HIS 80 HA HIS 80 0.348 18.788 2.645 571 1HB HIS 80 2HB HIS 80 -1.753 18.512 4.124 572 2HB HIS 80 3HB HIS 80 -1.370 16.802 4.130 573 HD1 HIS 80 HD1 HIS 80 0.955 16.098 5.258 574 HD2 HIS 80 HD2 HIS 80 -0.198 20.093 5.810 575 HE1 HIS 80 HE1 HIS 80 2.393 17.000 7.163 576 H VAL 81 HN VAL 81 0.457 17.295 0.244 577 HA VAL 81 HA VAL 81 1.151 15.339 -0.656 578 HB VAL 81 HB VAL 81 3.105 16.767 -0.138 579 1HG1 VAL 81 1HG1 VAL 81 4.441 16.518 1.762 580 2HG1 VAL 81 2HG1 VAL 81 2.787 16.412 2.414 581 3HG1 VAL 81 3HG1 VAL 81 3.745 14.931 2.168 582 1HG2 VAL 81 1HG2 VAL 81 4.733 15.149 -0.702 583 2HG2 VAL 81 2HG2 VAL 81 3.863 13.852 0.152 584 3HG2 VAL 81 3HG2 VAL 81 3.203 14.521 -1.360 585 H GLY 82 HN GLY 82 -0.448 13.804 -0.056 586 1HA GLY 82 1HA GLY 82 0.463 11.577 1.356 587 2HA GLY 82 2HA GLY 82 -0.514 12.526 2.459 588 H ASP 83 HN ASP 83 -2.575 13.558 1.018 589 HA ASP 83 HA ASP 83 -4.610 12.934 0.484 590 1HB ASP 83 2HB ASP 83 -4.691 11.766 -1.836 591 2HB ASP 83 3HB ASP 83 -3.905 13.330 -1.740 592 H LEU 84 HN LEU 84 -3.391 11.075 2.367 593 HA LEU 84 HA LEU 84 -5.115 8.858 2.022 594 1HB LEU 84 2HB LEU 84 -3.069 8.421 0.487 595 2HB LEU 84 3HB LEU 84 -2.211 8.102 1.981 596 HG LEU 84 HG LEU 84 -3.654 6.260 2.522 597 1HD1 LEU 84 1HD1 LEU 84 -5.349 7.299 0.266 598 2HD1 LEU 84 2HD1 LEU 84 -5.425 5.587 0.751 599 3HD1 LEU 84 3HD1 LEU 84 -5.813 6.864 1.929 600 1HD2 LEU 84 1HD2 LEU 84 -2.279 5.061 1.259 601 2HD2 LEU 84 2HD2 LEU 84 -3.452 5.209 -0.072 602 3HD2 LEU 84 3HD2 LEU 84 -2.123 6.383 0.076 603 H GLY 85 HN GLY 85 -5.883 8.667 4.050 604 1HA GLY 85 1HA GLY 85 -5.006 9.842 6.301 605 2HA GLY 85 2HA GLY 85 -5.846 8.304 6.285 606 H ASN 86 HN ASN 86 -4.031 8.831 8.330 607 HA ASN 86 HA ASN 86 -1.491 7.776 7.594 608 1HB ASN 86 2HB ASN 86 -2.804 8.658 10.194 609 2HB ASN 86 3HB ASN 86 -1.286 7.783 10.245 610 1HD2 ASN 86 1HD2 ASN 86 -2.365 10.690 10.607 611 2HD2 ASN 86 2HD2 ASN 86 -1.168 11.677 9.837 612 H VAL 87 HN VAL 87 -0.610 5.730 8.570 613 HA VAL 87 HA VAL 87 -2.762 3.794 9.047 614 HB VAL 87 HB VAL 87 -1.284 2.131 8.199 615 1HG1 VAL 87 1HG1 VAL 87 -0.682 4.246 6.196 616 2HG1 VAL 87 2HG1 VAL 87 -1.478 2.666 5.998 617 3HG1 VAL 87 3HG1 VAL 87 -2.390 4.047 6.656 618 1HG2 VAL 87 1HG2 VAL 87 0.824 4.294 8.326 619 2HG2 VAL 87 2HG2 VAL 87 0.838 2.674 9.066 620 3HG2 VAL 87 3HG2 VAL 87 1.012 2.849 7.303 621 H THR 88 HN THR 88 -2.227 2.016 10.625 622 HA THR 88 HA THR 88 -0.332 2.901 12.681 623 HB THR 88 HB THR 88 -3.270 2.126 13.083 624 HG1 THR 88 1HG THR 88 -3.229 4.326 12.685 625 1HG2 THR 88 1HG2 THR 88 -0.926 2.336 14.942 626 2HG2 THR 88 2HG2 THR 88 -2.392 3.211 15.447 627 3HG2 THR 88 3HG2 THR 88 -2.459 1.457 15.152 628 H ALA 89 HN ALA 89 0.612 1.247 13.923 629 HA ALA 89 HA ALA 89 0.620 -1.281 12.530 630 1HB ALA 89 1HB ALA 89 2.330 -1.623 14.590 631 2HB ALA 89 2HB ALA 89 2.781 -0.763 13.098 632 3HB ALA 89 3HB ALA 89 2.297 0.156 14.543 633 H ASP 90 HN ASP 90 0.380 -3.358 13.726 634 HA ASP 90 HA ASP 90 -2.003 -3.294 15.200 635 1HB ASP 90 2HB ASP 90 -1.592 -5.233 13.862 636 2HB ASP 90 3HB ASP 90 0.031 -5.432 14.490 637 H LYS 91 HN LYS 91 0.627 -5.420 16.325 638 HA LYS 91 HA LYS 91 1.021 -3.784 18.705 639 1HB LYS 91 2HB LYS 91 -0.737 -5.162 19.468 640 2HB LYS 91 3HB LYS 91 -0.105 -6.584 18.663 641 1HG LYS 91 2HG LYS 91 1.619 -6.891 20.248 642 2HG LYS 91 3HG LYS 91 1.610 -5.210 20.742 643 1HD LYS 91 2HD LYS 91 0.147 -5.663 22.413 644 2HD LYS 91 3HD LYS 91 -1.012 -6.310 21.269 645 1HE LYS 91 2HE LYS 91 0.855 -8.366 21.395 646 2HE LYS 91 3HE LYS 91 0.903 -7.745 23.033 647 1HZ LYS 91 1HZ LYS 91 -1.076 -9.289 21.840 648 2HZ LYS 91 2HZ LYS 91 -0.987 -8.781 23.390 649 3HZ LYS 91 3HZ LYS 91 -1.748 -7.864 22.274 650 H ASP 92 HN ASP 92 2.396 -4.899 16.079 651 HA ASP 92 HA ASP 92 4.856 -5.431 17.476 652 1HB ASP 92 2HB ASP 92 3.329 -7.495 16.172 653 2HB ASP 92 3HB ASP 92 4.738 -7.190 15.176 654 H GLY 93 HN GLY 93 3.391 -3.353 15.686 655 1HA GLY 93 1HA GLY 93 4.322 -1.773 14.297 656 2HA GLY 93 2HA GLY 93 5.627 -2.869 13.887 657 H VAL 94 HN VAL 94 3.663 -5.151 13.378 658 HA VAL 94 HA VAL 94 3.434 -4.853 10.642 659 HB VAL 94 HB VAL 94 1.771 -6.593 12.474 660 1HG1 VAL 94 1HG1 VAL 94 0.956 -7.579 10.643 661 2HG1 VAL 94 2HG1 VAL 94 1.679 -6.263 9.687 662 3HG1 VAL 94 3HG1 VAL 94 2.585 -7.772 9.951 663 1HG2 VAL 94 1HG2 VAL 94 4.641 -6.660 11.749 664 2HG2 VAL 94 2HG2 VAL 94 3.789 -7.355 13.149 665 3HG2 VAL 94 3HG2 VAL 94 3.775 -8.206 11.586 666 H ALA 95 HN ALA 95 2.317 -3.286 9.594 667 HA ALA 95 HA ALA 95 -0.296 -2.550 10.715 668 1HB ALA 95 1HB ALA 95 0.006 -0.421 9.607 669 2HB ALA 95 2HB ALA 95 1.491 -0.780 10.520 670 3HB ALA 95 3HB ALA 95 1.453 -1.013 8.756 671 H ASP 96 HN ASP 96 -2.024 -3.423 9.699 672 HA ASP 96 HA ASP 96 -1.597 -4.344 6.984 673 1HB ASP 96 2HB ASP 96 -3.366 -5.871 7.344 674 2HB ASP 96 3HB ASP 96 -2.559 -5.819 8.899 675 H VAL 97 HN VAL 97 -3.386 -3.900 5.370 676 HA VAL 97 HA VAL 97 -5.079 -1.632 6.109 677 HB VAL 97 HB VAL 97 -3.164 -1.813 3.785 678 1HG1 VAL 97 1HG1 VAL 97 -5.356 0.254 4.159 679 2HG1 VAL 97 2HG1 VAL 97 -4.183 0.155 2.824 680 3HG1 VAL 97 3HG1 VAL 97 -5.429 -1.102 3.008 681 1HG2 VAL 97 1HG2 VAL 97 -2.579 -0.846 6.153 682 2HG2 VAL 97 2HG2 VAL 97 -2.089 0.031 4.684 683 3HG2 VAL 97 3HG2 VAL 97 -3.522 0.558 5.598 684 H SER 98 HN SER 98 -6.988 -1.414 4.710 685 HA SER 98 HA SER 98 -7.522 -3.213 2.682 686 1HB SER 98 2HB SER 98 -9.310 -4.581 3.917 687 2HB SER 98 3HB SER 98 -7.642 -5.019 4.228 688 HG SER 98 HG SER 98 -8.998 -4.839 6.177 689 H ILE 99 HN ILE 99 -8.400 -1.345 1.695 690 HA ILE 99 HA ILE 99 -10.992 -0.555 2.767 691 HB ILE 99 HB ILE 99 -9.050 1.539 1.840 692 1HG1 ILE 99 2HG1 ILE 99 -9.475 0.787 4.741 693 2HG1 ILE 99 3HG1 ILE 99 -8.114 0.213 3.797 694 1HG2 ILE 99 1HG2 ILE 99 -10.659 2.784 3.559 695 2HG2 ILE 99 2HG2 ILE 99 -11.087 2.549 1.847 696 3HG2 ILE 99 3HG2 ILE 99 -11.754 1.462 3.088 697 1HD1 ILE 99 1HD1 ILE 99 -8.780 3.050 4.623 698 2HD1 ILE 99 2HD1 ILE 99 -7.250 2.158 4.808 699 3HD1 ILE 99 3HD1 ILE 99 -7.746 2.752 3.205 700 H GLU 100 HN GLU 100 -12.030 1.034 0.990 701 HA GLU 100 HA GLU 100 -11.290 -0.052 -1.609 702 1HB GLU 100 2HB GLU 100 -13.895 -0.222 -0.181 703 2HB GLU 100 3HB GLU 100 -14.016 0.291 -1.852 704 1HG GLU 100 2HG GLU 100 -13.337 -1.752 -2.677 705 2HG GLU 100 3HG GLU 100 -12.165 -2.001 -1.398 706 H ASP 101 HN ASP 101 -10.362 1.767 -2.522 707 HA ASP 101 HA ASP 101 -11.737 4.278 -2.122 708 1HB ASP 101 2HB ASP 101 -9.057 3.570 -3.403 709 2HB ASP 101 3HB ASP 101 -9.686 5.204 -3.328 710 H SER 102 HN SER 102 -13.348 4.672 -3.656 711 HA SER 102 HA SER 102 -12.881 3.624 -6.328 712 1HB SER 102 2HB SER 102 -15.319 3.865 -6.653 713 2HB SER 102 3HB SER 102 -14.969 2.881 -5.246 714 HG SER 102 HG SER 102 -16.645 4.488 -4.854 715 H VAL 103 HN VAL 103 -11.279 5.713 -6.062 716 HA VAL 103 HA VAL 103 -12.743 7.895 -7.359 717 HB VAL 103 HB VAL 103 -10.780 8.063 -5.074 718 1HG1 VAL 103 1HG1 VAL 103 -10.742 10.485 -5.372 719 2HG1 VAL 103 2HG1 VAL 103 -10.125 9.672 -6.830 720 3HG1 VAL 103 3HG1 VAL 103 -11.773 10.344 -6.816 721 1HG2 VAL 103 1HG2 VAL 103 -13.652 8.926 -5.481 722 2HG2 VAL 103 2HG2 VAL 103 -12.985 7.826 -4.251 723 3HG2 VAL 103 3HG2 VAL 103 -12.636 9.569 -4.169 724 H ILE 104 HN ILE 104 -9.503 6.471 -6.556 725 HA ILE 104 HA ILE 104 -8.525 7.510 -9.101 726 HB ILE 104 HB ILE 104 -6.401 7.361 -8.251 727 1HG1 ILE 104 2HG1 ILE 104 -6.330 5.028 -7.681 728 2HG1 ILE 104 3HG1 ILE 104 -5.736 5.959 -6.320 729 1HG2 ILE 104 1HG2 ILE 104 -6.425 8.338 -6.016 730 2HG2 ILE 104 2HG2 ILE 104 -7.714 9.031 -7.029 731 3HG2 ILE 104 3HG2 ILE 104 -8.111 7.815 -5.790 732 1HD1 ILE 104 1HD1 ILE 104 -7.261 4.218 -5.512 733 2HD1 ILE 104 2HD1 ILE 104 -8.007 5.813 -5.252 734 3HD1 ILE 104 3HD1 ILE 104 -8.542 4.791 -6.608 735 H SER 105 HN SER 105 -6.791 5.823 -10.100 736 HA SER 105 HA SER 105 -7.459 3.123 -9.834 737 1HB SER 105 2HB SER 105 -8.636 2.686 -11.889 738 2HB SER 105 3HB SER 105 -9.508 3.964 -11.066 739 HG SER 105 HG SER 105 -7.739 5.260 -12.555 740 H LEU 106 HN LEU 106 -6.464 1.889 -11.940 741 HA LEU 106 HA LEU 106 -3.906 3.231 -12.404 742 1HB LEU 106 2HB LEU 106 -4.196 0.400 -13.135 743 2HB LEU 106 3HB LEU 106 -2.902 1.233 -12.296 744 HG LEU 106 HG LEU 106 -5.473 0.150 -11.135 745 1HD1 LEU 106 1HD1 LEU 106 -3.598 -1.429 -11.483 746 2HD1 LEU 106 2HD1 LEU 106 -2.578 -0.412 -10.438 747 3HD1 LEU 106 3HD1 LEU 106 -4.020 -1.212 -9.768 748 1HD2 LEU 106 1HD2 LEU 106 -4.112 2.496 -10.289 749 2HD2 LEU 106 2HD2 LEU 106 -5.464 1.647 -9.503 750 3HD2 LEU 106 3HD2 LEU 106 -3.785 1.219 -9.093 751 H SER 107 HN SER 107 -6.130 4.220 -13.840 752 HA SER 107 HA SER 107 -6.069 2.897 -16.385 753 1HB SER 107 2HB SER 107 -7.827 4.744 -14.992 754 2HB SER 107 3HB SER 107 -7.435 5.398 -16.570 755 HG SER 107 HG SER 107 -9.316 3.998 -16.621 756 H GLY 108 HN GLY 108 -6.265 5.098 -18.167 757 1HA GLY 108 1HA GLY 108 -3.485 6.008 -18.156 758 2HA GLY 108 2HA GLY 108 -4.605 6.020 -19.503 759 H ASP 109 HN ASP 109 -5.869 7.121 -16.418 760 HA ASP 109 HA ASP 109 -5.347 9.870 -17.200 761 1HB ASP 109 2HB ASP 109 -8.032 8.619 -16.480 762 2HB ASP 109 3HB ASP 109 -7.762 10.348 -16.395 763 H HIS 110 HN HIS 110 -7.048 7.794 -14.720 764 HA HIS 110 HA HIS 110 -6.074 9.549 -12.634 765 1HB HIS 110 2HB HIS 110 -8.048 7.262 -12.703 766 2HB HIS 110 3HB HIS 110 -7.496 7.970 -11.198 767 HD1 HIS 110 HD1 HIS 110 -10.468 8.079 -12.561 768 HD2 HIS 110 HD2 HIS 110 -7.652 11.176 -12.287 769 HE1 HIS 110 HE1 HIS 110 -11.784 10.259 -12.731 770 H SER 111 HN SER 111 -4.436 7.521 -14.375 771 HA SER 111 HA SER 111 -3.660 5.361 -13.027 772 1HB SER 111 2HB SER 111 -2.663 6.880 -15.152 773 2HB SER 111 3HB SER 111 -1.333 6.889 -14.011 774 HG SER 111 HG SER 111 -1.290 5.055 -15.502 775 H ILE 112 HN ILE 112 -2.963 4.986 -10.957 776 HA ILE 112 HA ILE 112 -1.767 7.246 -9.532 777 HB ILE 112 HB ILE 112 -2.415 6.122 -7.514 778 1HG1 ILE 112 2HG1 ILE 112 -4.049 3.992 -8.247 779 2HG1 ILE 112 3HG1 ILE 112 -2.641 3.795 -9.270 780 1HG2 ILE 112 1HG2 ILE 112 -4.953 5.754 -8.946 781 2HG2 ILE 112 2HG2 ILE 112 -4.524 6.862 -7.621 782 3HG2 ILE 112 3HG2 ILE 112 -4.130 7.291 -9.303 783 1HD1 ILE 112 1HD1 ILE 112 -1.146 3.693 -7.404 784 2HD1 ILE 112 2HD1 ILE 112 -2.371 4.349 -6.291 785 3HD1 ILE 112 3HD1 ILE 112 -2.545 2.699 -6.934 786 H ILE 113 HN ILE 113 -0.992 4.368 -11.211 787 HA ILE 113 HA ILE 113 0.947 3.179 -9.709 788 HB ILE 113 HB ILE 113 0.745 3.643 -12.680 789 1HG1 ILE 113 2HG1 ILE 113 -0.028 1.367 -10.842 790 2HG1 ILE 113 3HG1 ILE 113 -1.081 2.348 -11.842 791 1HG2 ILE 113 1HG2 ILE 113 2.372 1.778 -12.914 792 2HG2 ILE 113 2HG2 ILE 113 3.076 3.259 -12.222 793 3HG2 ILE 113 3HG2 ILE 113 2.689 1.881 -11.165 794 1HD1 ILE 113 1HD1 ILE 113 0.193 1.476 -13.883 795 2HD1 ILE 113 2HD1 ILE 113 1.003 0.333 -12.785 796 3HD1 ILE 113 3HD1 ILE 113 -0.762 0.257 -13.005 797 H GLY 114 HN GLY 114 2.990 3.655 -9.015 798 1HA GLY 114 1HA GLY 114 5.092 4.734 -9.433 799 2HA GLY 114 2HA GLY 114 4.231 6.108 -10.098 800 H ARG 115 HN ARG 115 2.512 4.826 -7.422 801 HA ARG 115 HA ARG 115 3.282 7.101 -5.882 802 1HB ARG 115 2HB ARG 115 1.133 4.987 -5.732 803 2HB ARG 115 3HB ARG 115 1.533 5.832 -4.251 804 1HG ARG 115 2HG ARG 115 1.060 8.006 -5.287 805 2HG ARG 115 3HG ARG 115 0.855 7.263 -6.861 806 1HD ARG 115 2HD ARG 115 -1.099 5.944 -5.952 807 2HD ARG 115 3HD ARG 115 -0.914 6.768 -4.416 808 HE ARG 115 HE ARG 115 -1.093 8.720 -6.522 809 1HH1 ARG 115 2HH2 ARG 115 -3.081 6.415 -4.756 810 2HH1 ARG 115 1HH2 ARG 115 -4.548 7.306 -4.991 811 1HH2 ARG 115 2HH1 ARG 115 -3.027 9.895 -6.832 812 2HH2 ARG 115 1HH1 ARG 115 -4.517 9.299 -6.180 813 H THR 116 HN THR 116 5.433 6.677 -5.143 814 HA THR 116 HA THR 116 6.250 4.210 -4.080 815 HB THR 116 HB THR 116 7.280 7.075 -3.728 816 HG1 THR 116 1HG THR 116 7.756 6.571 -5.834 817 1HG2 THR 116 1HG2 THR 116 8.174 4.556 -2.547 818 2HG2 THR 116 2HG2 THR 116 9.374 5.134 -3.729 819 3HG2 THR 116 3HG2 THR 116 8.887 6.177 -2.372 820 H LEU 117 HN LEU 117 5.048 3.253 -2.512 821 HA LEU 117 HA LEU 117 3.948 4.799 -0.383 822 1HB LEU 117 2HB LEU 117 3.444 2.349 -1.554 823 2HB LEU 117 3HB LEU 117 4.121 1.907 0.000 824 HG LEU 117 HG LEU 117 2.391 3.644 0.945 825 1HD1 LEU 117 1HD1 LEU 117 1.169 4.648 -0.627 826 2HD1 LEU 117 2HD1 LEU 117 1.649 3.474 -1.877 827 3HD1 LEU 117 3HD1 LEU 117 0.301 3.101 -0.775 828 1HD2 LEU 117 1HD2 LEU 117 2.525 0.995 0.999 829 2HD2 LEU 117 2HD2 LEU 117 1.104 1.881 1.601 830 3HD2 LEU 117 3HD2 LEU 117 1.074 1.147 -0.020 831 H VAL 118 HN VAL 118 5.188 5.688 1.177 832 HA VAL 118 HA VAL 118 7.224 3.967 2.372 833 HB VAL 118 HB VAL 118 8.694 5.167 1.138 834 1HG1 VAL 118 1HG1 VAL 118 7.340 6.443 -0.268 835 2HG1 VAL 118 2HG1 VAL 118 6.592 7.327 1.084 836 3HG1 VAL 118 3HG1 VAL 118 8.273 7.678 0.612 837 1HG2 VAL 118 1HG2 VAL 118 9.857 6.500 2.575 838 2HG2 VAL 118 2HG2 VAL 118 8.428 7.464 3.018 839 3HG2 VAL 118 3HG2 VAL 118 8.671 5.852 3.734 840 H VAL 119 HN VAL 119 6.408 3.653 4.386 841 HA VAL 119 HA VAL 119 4.710 5.581 5.602 842 HB VAL 119 HB VAL 119 4.753 4.036 7.492 843 1HG1 VAL 119 1HG1 VAL 119 4.240 1.877 5.950 844 2HG1 VAL 119 2HG1 VAL 119 3.123 3.253 6.118 845 3HG1 VAL 119 3HG1 VAL 119 4.205 3.152 4.708 846 1HG2 VAL 119 1HG2 VAL 119 6.079 1.791 6.872 847 2HG2 VAL 119 2HG2 VAL 119 7.143 2.966 6.062 848 3HG2 VAL 119 3HG2 VAL 119 6.818 3.114 7.806 849 H HIS 120 HN HIS 120 5.267 6.218 8.027 850 HA HIS 120 HA HIS 120 7.980 7.320 7.930 851 1HB HIS 120 2HB HIS 120 5.439 8.423 9.153 852 2HB HIS 120 3HB HIS 120 7.029 9.092 9.462 853 HD1 HIS 120 HD1 HIS 120 5.774 11.271 8.325 854 HD2 HIS 120 HD2 HIS 120 6.795 8.094 5.784 855 HE1 HIS 120 HE1 HIS 120 5.730 12.211 5.953 856 H GLU 121 HN GLU 121 9.298 7.186 9.794 857 HA GLU 121 HA GLU 121 9.089 4.918 11.256 858 1HB GLU 121 2HB GLU 121 10.990 6.795 10.977 859 2HB GLU 121 3HB GLU 121 10.379 7.320 12.534 860 1HG GLU 121 2HG GLU 121 10.639 4.438 12.592 861 2HG GLU 121 3HG GLU 121 12.133 5.110 11.969 862 H LYS 122 HN LYS 122 7.521 8.053 11.770 863 HA LYS 122 HA LYS 122 6.060 6.861 13.989 864 1HB LYS 122 2HB LYS 122 8.101 8.827 14.342 865 2HB LYS 122 3HB LYS 122 6.560 9.603 14.645 866 1HG LYS 122 2HG LYS 122 6.151 7.239 15.967 867 2HG LYS 122 3HG LYS 122 7.890 7.374 16.137 868 1HD LYS 122 2HD LYS 122 7.751 9.422 17.333 869 2HD LYS 122 3HD LYS 122 6.140 9.776 16.739 870 1HE LYS 122 2HE LYS 122 5.174 7.978 18.112 871 2HE LYS 122 3HE LYS 122 6.767 7.434 18.598 872 1HZ LYS 122 1HZ LYS 122 6.195 8.768 20.320 873 2HZ LYS 122 2HZ LYS 122 6.965 9.874 19.398 874 3HZ LYS 122 3HZ LYS 122 5.333 9.820 19.416 875 H ALA 123 HN ALA 123 4.409 8.976 14.636 876 HA ALA 123 HA ALA 123 3.007 9.335 12.094 877 1HB ALA 123 1HB ALA 123 1.285 10.123 14.091 878 2HB ALA 123 2HB ALA 123 1.382 8.476 13.424 879 3HB ALA 123 3HB ALA 123 2.257 8.883 14.919 880 H ASP 124 HN ASP 124 1.440 11.528 12.571 881 HA ASP 124 HA ASP 124 3.469 13.592 12.894 882 1HB ASP 124 2HB ASP 124 2.098 14.977 11.408 883 2HB ASP 124 3HB ASP 124 2.413 13.436 10.637 884 H ASP 125 HN ASP 125 0.873 12.059 14.410 885 HA ASP 125 HA ASP 125 -0.396 12.517 16.107 886 1HB ASP 125 2HB ASP 125 1.867 14.043 16.583 887 2HB ASP 125 3HB ASP 125 0.616 15.268 16.651 888 H LEU 126 HN LEU 126 -1.085 13.433 13.351 889 HA LEU 126 HA LEU 126 -2.513 14.709 12.244 890 1HB LEU 126 2HB LEU 126 -3.776 14.473 14.949 891 2HB LEU 126 3HB LEU 126 -4.536 15.466 13.721 892 HG LEU 126 HG LEU 126 -3.799 12.581 13.206 893 1HD1 LEU 126 1HD1 LEU 126 -5.211 12.261 15.007 894 2HD1 LEU 126 2HD1 LEU 126 -6.189 13.702 14.638 895 3HD1 LEU 126 3HD1 LEU 126 -6.346 12.240 13.636 896 1HD2 LEU 126 1HD2 LEU 126 -4.996 14.712 11.659 897 2HD2 LEU 126 2HD2 LEU 126 -4.458 13.093 11.149 898 3HD2 LEU 126 3HD2 LEU 126 -6.102 13.324 11.793 899 H GLY 127 HN GLY 127 -0.149 15.973 13.725 900 1HA GLY 127 1HA GLY 127 0.503 18.199 13.158 901 2HA GLY 127 2HA GLY 127 -1.127 18.749 13.494 902 H LYS 128 HN LYS 128 1.957 18.802 14.693 903 HA LYS 128 HA LYS 128 1.430 18.236 17.439 904 1HB LYS 128 2HB LYS 128 3.736 19.254 15.826 905 2HB LYS 128 3HB LYS 128 3.735 19.565 17.550 906 1HG LYS 128 2HG LYS 128 3.252 17.061 17.891 907 2HG LYS 128 3HG LYS 128 3.550 16.847 16.178 908 1HD LYS 128 2HD LYS 128 5.802 16.929 16.471 909 2HD LYS 128 3HD LYS 128 5.697 18.427 17.374 910 1HE LYS 128 2HE LYS 128 4.733 16.052 18.882 911 2HE LYS 128 3HE LYS 128 6.428 15.969 18.444 912 1HZ LYS 128 1HZ LYS 128 5.148 18.210 19.850 913 2HZ LYS 128 2HZ LYS 128 6.123 17.089 20.528 914 3HZ LYS 128 3HZ LYS 128 6.726 18.142 19.434 915 H GLY 129 HN GLY 129 1.791 21.218 15.418 916 1HA GLY 129 1HA GLY 129 -0.141 22.759 16.378 917 2HA GLY 129 2HA GLY 129 1.017 22.874 17.689 918 H GLY 130 HN GLY 130 3.487 22.793 16.298 919 1HA GLY 130 1HA GLY 130 3.519 25.475 15.203 920 2HA GLY 130 2HA GLY 130 4.890 24.448 15.574 921 H ASN 131 HN ASN 131 3.869 26.046 13.069 922 HA ASN 131 HA ASN 131 3.616 23.895 11.186 923 1HB ASN 131 2HB ASN 131 3.965 26.809 10.410 924 2HB ASN 131 3HB ASN 131 3.012 25.575 9.609 925 1HD2 ASN 131 1HD2 ASN 131 0.945 25.936 9.741 926 2HD2 ASN 131 2HD2 ASN 131 0.066 26.572 11.092 927 H GLU 132 HN GLU 132 5.746 22.907 11.251 928 HA GLU 132 HA GLU 132 7.584 23.748 9.508 929 1HB GLU 132 2HB GLU 132 7.772 25.361 11.921 930 2HB GLU 132 3HB GLU 132 9.244 24.431 11.723 931 1HG GLU 132 2HG GLU 132 8.880 25.271 9.140 932 2HG GLU 132 3HG GLU 132 8.119 26.600 9.992 933 H GLN 133 HN GLN 133 6.427 21.351 10.431 934 HA GLN 133 HA GLN 133 8.658 19.747 10.615 935 1HB GLN 133 2HB GLN 133 8.393 20.830 13.051 936 2HB GLN 133 3HB GLN 133 7.193 19.568 13.243 937 1HG GLN 133 2HG GLN 133 8.897 18.150 13.736 938 2HG GLN 133 3HG GLN 133 9.356 18.228 12.047 939 1HE2 GLN 133 1HE2 GLN 133 11.403 17.718 13.380 940 2HE2 GLN 133 2HE2 GLN 133 12.426 19.064 13.758 941 H SER 134 HN SER 134 5.368 19.741 12.185 942 HA SER 134 HA SER 134 4.863 17.200 10.964 943 1HB SER 134 2HB SER 134 2.850 17.165 12.320 944 2HB SER 134 3HB SER 134 4.172 17.733 13.320 945 HG SER 134 HG SER 134 3.337 19.984 12.503 946 H THR 135 HN THR 135 4.291 20.599 10.358 947 HA THR 135 HA THR 135 1.964 20.208 8.717 948 HB THR 135 HB THR 135 2.634 22.699 8.170 949 HG1 THR 135 1HG THR 135 4.837 22.506 8.895 950 1HG2 THR 135 1HG2 THR 135 0.960 21.896 10.016 951 2HG2 THR 135 2HG2 THR 135 2.320 22.109 11.145 952 3HG2 THR 135 3HG2 THR 135 1.698 23.502 10.228 953 H LYS 136 HN LYS 136 5.332 19.658 8.333 954 HA LYS 136 HA LYS 136 5.027 19.875 5.422 955 1HB LYS 136 2HB LYS 136 7.316 20.326 7.285 956 2HB LYS 136 3HB LYS 136 7.678 19.626 5.720 957 1HG LYS 136 2HG LYS 136 6.211 21.539 4.722 958 2HG LYS 136 3HG LYS 136 6.321 22.287 6.302 959 1HD LYS 136 2HD LYS 136 8.912 21.344 5.132 960 2HD LYS 136 3HD LYS 136 8.150 22.688 4.304 961 1HE LYS 136 2HE LYS 136 8.233 24.091 6.230 962 2HE LYS 136 3HE LYS 136 8.434 22.739 7.326 963 1HZ LYS 136 1HZ LYS 136 10.517 22.788 5.446 964 2HZ LYS 136 2HZ LYS 136 10.414 24.237 6.193 965 3HZ LYS 136 3HZ LYS 136 10.603 22.876 7.075 966 H THR 137 HN THR 137 5.775 17.779 8.200 967 HA THR 137 HA THR 137 5.521 15.487 6.401 968 HB THR 137 HB THR 137 7.529 14.451 7.433 969 HG1 THR 137 1HG THR 137 8.622 15.713 9.048 970 1HG2 THR 137 1HG2 THR 137 9.308 16.021 6.661 971 2HG2 THR 137 2HG2 THR 137 7.995 15.930 5.463 972 3HG2 THR 137 3HG2 THR 137 8.106 17.330 6.555 973 H GLY 138 HN GLY 138 6.614 15.307 9.765 974 1HA GLY 138 1HA GLY 138 4.074 15.190 10.983 975 2HA GLY 138 2HA GLY 138 4.562 13.572 10.521 976 H ASN 139 HN ASN 139 6.820 16.222 11.419 977 HA ASN 139 HA ASN 139 8.428 16.260 12.892 978 1HB ASN 139 2HB ASN 139 6.502 16.956 14.318 979 2HB ASN 139 3HB ASN 139 6.174 15.284 14.725 980 1HD2 ASN 139 1HD2 ASN 139 6.916 14.618 16.579 981 2HD2 ASN 139 2HD2 ASN 139 8.294 15.215 17.442 982 H ALA 140 HN ALA 140 7.963 13.627 11.464 983 HA ALA 140 HA ALA 140 9.864 12.077 12.755 984 1HB ALA 140 1HB ALA 140 7.453 10.446 13.040 985 2HB ALA 140 2HB ALA 140 8.758 10.760 14.210 986 3HB ALA 140 3HB ALA 140 7.397 11.898 14.068 987 H GLY 141 HN GLY 141 9.337 13.089 10.157 988 1HA GLY 141 1HA GLY 141 8.304 10.833 8.609 989 2HA GLY 141 2HA GLY 141 8.706 12.434 8.022 990 H SER 142 HN SER 142 9.992 9.248 8.968 991 HA SER 142 HA SER 142 12.652 10.046 8.230 992 1HB SER 142 2HB SER 142 12.015 8.446 10.168 993 2HB SER 142 3HB SER 142 11.708 7.241 8.934 994 HG SER 142 HG SER 142 14.167 8.359 9.807 995 H ARG 143 HN ARG 143 9.816 9.007 6.670 996 HA ARG 143 HA ARG 143 9.372 7.890 4.833 997 1HB ARG 143 2HB ARG 143 11.714 9.651 3.964 998 2HB ARG 143 3HB ARG 143 10.685 8.816 2.818 999 1HG ARG 143 2HG ARG 143 9.638 10.915 2.953 1000 2HG ARG 143 3HG ARG 143 8.697 9.976 4.094 1001 1HD ARG 143 2HD ARG 143 9.280 11.376 5.784 1002 2HD ARG 143 3HD ARG 143 10.980 11.053 5.506 1003 HE ARG 143 HE ARG 143 11.148 13.034 4.231 1004 1HH1 ARG 143 2HH2 ARG 143 7.773 12.313 4.915 1005 2HH1 ARG 143 1HH2 ARG 143 7.200 13.854 4.370 1006 1HH2 ARG 143 2HH1 ARG 143 10.394 15.068 3.513 1007 2HH2 ARG 143 1HH1 ARG 143 8.702 15.432 3.568 1008 H LEU 144 HN LEU 144 9.901 5.681 5.339 1009 HA LEU 144 HA LEU 144 12.515 4.828 4.301 1010 1HB LEU 144 2HB LEU 144 12.053 2.839 5.908 1011 2HB LEU 144 3HB LEU 144 12.751 4.333 6.502 1012 HG LEU 144 HG LEU 144 11.034 3.405 8.006 1013 1HD1 LEU 144 1HD1 LEU 144 9.569 5.795 7.320 1014 2HD1 LEU 144 2HD1 LEU 144 10.654 5.479 8.696 1015 3HD1 LEU 144 3HD1 LEU 144 11.320 6.066 7.153 1016 1HD2 LEU 144 1HD2 LEU 144 9.645 2.495 6.040 1017 2HD2 LEU 144 2HD2 LEU 144 8.782 3.143 7.456 1018 3HD2 LEU 144 3HD2 LEU 144 8.926 4.122 5.976 1019 H ALA 145 HN ALA 145 12.497 2.559 3.396 1020 HA ALA 145 HA ALA 145 11.732 1.110 1.912 1021 1HB ALA 145 1HB ALA 145 9.728 0.008 2.415 1022 2HB ALA 145 2HB ALA 145 10.150 0.758 3.973 1023 3HB ALA 145 3HB ALA 145 8.917 1.506 2.931 1024 H CYS 146 HN CYS 146 9.986 0.817 0.043 1025 HA CYS 146 HA CYS 146 8.876 3.306 -0.845 1026 1HB CYS 146 2HB CYS 146 10.089 3.363 -2.975 1027 2HB CYS 146 3HB CYS 146 11.121 3.676 -1.594 1028 H GLY 147 HN GLY 147 7.156 1.545 -0.295 1029 1HA GLY 147 1HA GLY 147 6.919 -0.755 -1.925 1030 2HA GLY 147 2HA GLY 147 5.670 -0.017 -0.943 1031 H VAL 148 HN VAL 148 7.562 0.794 -3.949 1032 HA VAL 148 HA VAL 148 5.595 2.435 -5.036 1033 HB VAL 148 HB VAL 148 8.005 0.977 -6.010 1034 1HG1 VAL 148 1HG1 VAL 148 5.865 2.145 -7.800 1035 2HG1 VAL 148 2HG1 VAL 148 7.565 2.013 -8.310 1036 3HG1 VAL 148 3HG1 VAL 148 6.645 0.548 -7.893 1037 1HG2 VAL 148 1HG2 VAL 148 7.940 3.280 -4.868 1038 2HG2 VAL 148 2HG2 VAL 148 8.875 3.132 -6.375 1039 3HG2 VAL 148 3HG2 VAL 148 7.259 3.880 -6.400 1040 H ILE 149 HN ILE 149 3.736 2.062 -6.183 1041 HA ILE 149 HA ILE 149 2.743 -0.614 -6.179 1042 HB ILE 149 HB ILE 149 1.553 1.883 -7.386 1043 1HG1 ILE 149 2HG1 ILE 149 2.190 2.134 -4.972 1044 2HG1 ILE 149 3HG1 ILE 149 0.482 2.329 -5.314 1045 1HG2 ILE 149 1HG2 ILE 149 0.319 0.108 -8.237 1046 2HG2 ILE 149 2HG2 ILE 149 0.481 -0.855 -6.748 1047 3HG2 ILE 149 3HG2 ILE 149 -0.590 0.567 -6.777 1048 1HD1 ILE 149 1HD1 ILE 149 1.388 0.737 -3.326 1049 2HD1 ILE 149 2HD1 ILE 149 -0.112 0.382 -4.214 1050 3HD1 ILE 149 3HD1 ILE 149 1.399 -0.451 -4.652 1051 H GLY 150 HN GLY 150 3.565 -2.070 -7.598 1052 1HA GLY 150 1HA GLY 150 3.915 -1.157 -10.392 1053 2HA GLY 150 2HA GLY 150 4.949 -2.330 -9.601 1054 H ILE 151 HN ILE 151 2.919 -2.353 -11.998 1055 HA ILE 151 HA ILE 151 0.787 -4.000 -11.317 1056 HB ILE 151 HB ILE 151 2.298 -3.639 -13.904 1057 1HG1 ILE 151 2HG1 ILE 151 1.350 -1.571 -13.253 1058 2HG1 ILE 151 3HG1 ILE 151 0.277 -2.242 -14.465 1059 1HG2 ILE 151 1HG2 ILE 151 1.237 -5.659 -14.285 1060 2HG2 ILE 151 2HG2 ILE 151 -0.153 -5.249 -13.253 1061 3HG2 ILE 151 3HG2 ILE 151 0.026 -4.482 -14.849 1062 1HD1 ILE 151 1HD1 ILE 151 -0.186 -1.818 -11.544 1063 2HD1 ILE 151 2HD1 ILE 151 -1.332 -1.727 -12.903 1064 3HD1 ILE 151 3HD1 ILE 151 -0.869 -3.310 -12.233 1065 H ALA 152 HN ALA 152 0.465 -6.287 -11.506 1066 HA ALA 152 HA ALA 152 2.849 -7.906 -11.843 1067 1HB ALA 152 1HB ALA 152 1.166 -7.982 -9.306 1068 2HB ALA 152 2HB ALA 152 2.547 -9.037 -9.692 1069 3HB ALA 152 3HB ALA 152 2.804 -7.295 -9.429 1070 H GLN 153 HN GLN 153 2.162 -10.333 -11.724 1071 HA GLN 153 HA GLN 153 -0.144 -10.528 -13.395 1072 1HB GLN 153 2HB GLN 153 2.197 -11.836 -13.442 1073 2HB GLN 153 3HB GLN 153 1.345 -12.948 -12.390 1074 1HG GLN 153 2HG GLN 153 -0.571 -12.641 -14.292 1075 2HG GLN 153 3HG GLN 153 0.835 -12.293 -15.278 1076 1HE2 GLN 153 1HE2 GLN 153 0.060 -14.260 -16.361 1077 2HE2 GLN 153 2HE2 GLN 153 0.622 -15.804 -15.815 Start of MODEL 26 1 1H ALA 1 HN ALA 1 -8.300 -9.399 -15.603 2 HA ALA 1 HA ALA 1 -8.660 -7.292 -14.187 3 1HB ALA 1 1HB ALA 1 -6.731 -9.464 -13.274 4 2HB ALA 1 2HB ALA 1 -7.720 -8.420 -12.225 5 3HB ALA 1 3HB ALA 1 -8.505 -9.608 -13.293 6 H THR 2 HN THR 2 -6.987 -6.333 -12.359 7 HA THR 2 HA THR 2 -4.414 -5.703 -13.487 8 HB THR 2 HB THR 2 -6.542 -3.523 -13.152 9 HG1 THR 2 1HG THR 2 -6.535 -3.654 -15.457 10 1HG2 THR 2 1HG2 THR 2 -3.594 -3.532 -13.618 11 2HG2 THR 2 2HG2 THR 2 -4.524 -2.570 -14.791 12 3HG2 THR 2 3HG2 THR 2 -4.643 -2.211 -13.051 13 H LYS 3 HN LYS 3 -3.679 -6.755 -11.588 14 HA LYS 3 HA LYS 3 -4.299 -5.275 -9.131 15 1HB LYS 3 2HB LYS 3 -4.936 -7.619 -9.037 16 2HB LYS 3 3HB LYS 3 -3.335 -8.120 -9.543 17 1HG LYS 3 2HG LYS 3 -2.618 -6.604 -7.410 18 2HG LYS 3 3HG LYS 3 -4.236 -7.030 -6.889 19 1HD LYS 3 2HD LYS 3 -3.606 -9.486 -7.449 20 2HD LYS 3 3HD LYS 3 -1.951 -8.924 -7.578 21 1HE LYS 3 2HE LYS 3 -1.889 -8.238 -5.266 22 2HE LYS 3 3HE LYS 3 -3.631 -8.343 -5.105 23 1HZ LYS 3 1HZ LYS 3 -2.429 -10.242 -4.174 24 2HZ LYS 3 2HZ LYS 3 -3.503 -10.689 -5.320 25 3HZ LYS 3 3HZ LYS 3 -1.908 -10.654 -5.666 26 H ALA 4 HN ALA 4 -2.683 -4.232 -8.017 27 HA ALA 4 HA ALA 4 -0.041 -4.341 -9.294 28 1HB ALA 4 1HB ALA 4 -0.171 -2.100 -9.289 29 2HB ALA 4 2HB ALA 4 -1.784 -2.192 -8.543 30 3HB ALA 4 3HB ALA 4 -0.332 -2.111 -7.517 31 H VAL 5 HN VAL 5 1.834 -3.991 -7.737 32 HA VAL 5 HA VAL 5 1.229 -5.067 -5.084 33 HB VAL 5 HB VAL 5 3.594 -6.036 -6.661 34 1HG1 VAL 5 1HG1 VAL 5 3.320 -8.003 -5.130 35 2HG1 VAL 5 2HG1 VAL 5 3.675 -6.471 -4.295 36 3HG1 VAL 5 3HG1 VAL 5 2.016 -7.116 -4.304 37 1HG2 VAL 5 1HG2 VAL 5 1.573 -6.498 -8.025 38 2HG2 VAL 5 2HG2 VAL 5 2.340 -7.981 -7.409 39 3HG2 VAL 5 3HG2 VAL 5 0.860 -7.360 -6.641 40 H ALA 6 HN ALA 6 2.864 -4.526 -3.468 41 HA ALA 6 HA ALA 6 4.960 -2.721 -4.254 42 1HB ALA 6 1HB ALA 6 2.388 -1.686 -3.557 43 2HB ALA 6 2HB ALA 6 3.490 -1.346 -2.201 44 3HB ALA 6 3HB ALA 6 3.898 -0.787 -3.841 45 H VAL 7 HN VAL 7 6.312 -4.342 -3.338 46 HA VAL 7 HA VAL 7 5.821 -5.139 -0.611 47 HB VAL 7 HB VAL 7 6.614 -6.736 -2.262 48 1HG1 VAL 7 1HG1 VAL 7 8.186 -6.265 -3.773 49 2HG1 VAL 7 2HG1 VAL 7 8.306 -4.627 -3.089 50 3HG1 VAL 7 3HG1 VAL 7 9.372 -5.921 -2.492 51 1HG2 VAL 7 1HG2 VAL 7 7.289 -6.823 0.208 52 2HG2 VAL 7 2HG2 VAL 7 8.243 -7.805 -0.930 53 3HG2 VAL 7 3HG2 VAL 7 8.890 -6.260 -0.328 54 H LEU 8 HN LEU 8 6.221 -3.663 0.965 55 HA LEU 8 HA LEU 8 7.858 -1.458 0.683 56 1HB LEU 8 2HB LEU 8 6.868 -2.965 3.096 57 2HB LEU 8 3HB LEU 8 7.815 -1.497 3.230 58 HG LEU 8 HG LEU 8 5.170 -1.473 3.280 59 1HD1 LEU 8 1HD1 LEU 8 5.216 0.836 2.803 60 2HD1 LEU 8 2HD1 LEU 8 6.828 0.443 3.448 61 3HD1 LEU 8 3HD1 LEU 8 6.600 0.665 1.696 62 1HD2 LEU 8 1HD2 LEU 8 5.813 -1.466 0.327 63 2HD2 LEU 8 2HD2 LEU 8 4.668 -2.502 1.212 64 3HD2 LEU 8 3HD2 LEU 8 4.319 -0.770 0.999 65 H LYS 9 HN LYS 9 10.020 -1.010 1.056 66 HA LYS 9 HA LYS 9 11.736 -2.735 2.432 67 1HB LYS 9 2HB LYS 9 11.174 -4.057 0.260 68 2HB LYS 9 3HB LYS 9 12.230 -2.907 -0.535 69 1HG LYS 9 2HG LYS 9 13.959 -4.238 0.105 70 2HG LYS 9 3HG LYS 9 13.710 -3.622 1.726 71 1HD LYS 9 2HD LYS 9 12.189 -5.484 2.259 72 2HD LYS 9 3HD LYS 9 12.245 -6.055 0.603 73 1HE LYS 9 2HE LYS 9 14.893 -5.748 1.982 74 2HE LYS 9 3HE LYS 9 13.859 -7.033 2.575 75 1HZ LYS 9 1HZ LYS 9 15.254 -6.855 0.113 76 2HZ LYS 9 2HZ LYS 9 14.644 -8.169 0.867 77 3HZ LYS 9 3HZ LYS 9 13.689 -7.267 -0.102 78 H GLY 10 HN GLY 10 13.424 -1.498 3.102 79 1HA GLY 10 1HA GLY 10 14.797 0.342 1.497 80 2HA GLY 10 2HA GLY 10 13.567 1.216 2.388 81 H ASP 11 HN ASP 11 13.533 1.043 4.792 82 HA ASP 11 HA ASP 11 15.855 1.622 5.938 83 1HB ASP 11 2HB ASP 11 13.626 1.778 7.037 84 2HB ASP 11 3HB ASP 11 13.566 0.034 7.191 85 H GLY 12 HN GLY 12 14.317 -1.661 5.678 86 1HA GLY 12 1HA GLY 12 16.092 -3.375 5.081 87 2HA GLY 12 2HA GLY 12 16.850 -2.880 6.581 88 HA PRO 13 HA PRO 13 14.035 -5.275 8.882 89 1HB PRO 13 2HB PRO 13 13.037 -3.708 10.886 90 2HB PRO 13 3HB PRO 13 14.645 -4.404 10.925 91 1HG PRO 13 2HG PRO 13 13.849 -1.607 10.394 92 2HG PRO 13 3HG PRO 13 15.420 -2.233 10.853 93 1HD PRO 13 2HD PRO 13 14.605 -1.394 8.234 94 2HD PRO 13 3HD PRO 13 16.135 -2.127 8.670 95 H VAL 14 HN VAL 14 12.673 -2.453 7.514 96 HA VAL 14 HA VAL 14 9.983 -3.441 7.944 97 HB VAL 14 HB VAL 14 11.115 -0.947 7.766 98 1HG1 VAL 14 1HG1 VAL 14 10.148 0.112 5.753 99 2HG1 VAL 14 2HG1 VAL 14 11.387 -1.100 5.346 100 3HG1 VAL 14 3HG1 VAL 14 9.661 -1.492 5.156 101 1HG2 VAL 14 1HG2 VAL 14 8.458 -0.445 7.256 102 2HG2 VAL 14 2HG2 VAL 14 8.413 -2.104 7.899 103 3HG2 VAL 14 3HG2 VAL 14 9.153 -0.799 8.856 104 H GLN 15 HN GLN 15 9.128 -4.956 6.625 105 HA GLN 15 HA GLN 15 9.808 -4.751 3.813 106 1HB GLN 15 2HB GLN 15 11.272 -6.505 4.852 107 2HB GLN 15 3HB GLN 15 9.841 -7.369 5.379 108 1HG GLN 15 2HG GLN 15 9.303 -6.982 2.679 109 2HG GLN 15 3HG GLN 15 11.043 -7.184 2.669 110 1HE2 GLN 15 1HE2 GLN 15 8.196 -8.555 4.320 111 2HE2 GLN 15 2HE2 GLN 15 8.633 -10.224 4.162 112 H GLY 16 HN GLY 16 7.497 -3.703 4.905 113 1HA GLY 16 1HA GLY 16 5.317 -5.355 5.271 114 2HA GLY 16 2HA GLY 16 5.267 -3.724 4.630 115 H ILE 17 HN ILE 17 3.406 -5.589 3.728 116 HA ILE 17 HA ILE 17 4.247 -5.841 0.948 117 HB ILE 17 HB ILE 17 3.182 -8.072 2.669 118 1HG1 ILE 17 2HG1 ILE 17 5.502 -8.238 0.767 119 2HG1 ILE 17 3HG1 ILE 17 5.722 -7.480 2.332 120 1HG2 ILE 17 1HG2 ILE 17 2.785 -7.568 -0.210 121 2HG2 ILE 17 2HG2 ILE 17 3.412 -9.183 0.196 122 3HG2 ILE 17 3HG2 ILE 17 1.887 -8.614 0.916 123 1HD1 ILE 17 1HD1 ILE 17 4.949 -9.501 3.490 124 2HD1 ILE 17 2HD1 ILE 17 4.543 -10.269 1.936 125 3HD1 ILE 17 3HD1 ILE 17 6.243 -9.939 2.348 126 H ILE 18 HN ILE 18 2.896 -4.395 0.000 127 HA ILE 18 HA ILE 18 0.051 -4.694 0.647 128 HB ILE 18 HB ILE 18 0.723 -2.739 1.792 129 1HG1 ILE 18 2HG1 ILE 18 -1.385 -2.663 0.425 130 2HG1 ILE 18 3HG1 ILE 18 -0.702 -1.102 0.835 131 1HG2 ILE 18 1HG2 ILE 18 1.728 -0.834 0.206 132 2HG2 ILE 18 2HG2 ILE 18 2.747 -1.980 1.109 133 3HG2 ILE 18 3HG2 ILE 18 2.403 -2.262 -0.615 134 1HD1 ILE 18 1HD1 ILE 18 0.575 -1.524 -1.537 135 2HD1 ILE 18 2HD1 ILE 18 -0.924 -2.439 -1.828 136 3HD1 ILE 18 3HD1 ILE 18 -1.003 -0.710 -1.412 137 H ASN 19 HN ASN 19 -1.255 -4.968 -1.109 138 HA ASN 19 HA ASN 19 0.012 -4.440 -3.683 139 1HB ASN 19 2HB ASN 19 -2.128 -6.567 -3.281 140 2HB ASN 19 3HB ASN 19 -0.962 -6.438 -4.583 141 1HD2 ASN 19 1HD2 ASN 19 -1.448 -8.735 -3.033 142 2HD2 ASN 19 2HD2 ASN 19 -0.016 -9.147 -2.150 143 H PHE 20 HN PHE 20 -1.877 -4.340 -5.479 144 HA PHE 20 HA PHE 20 -4.170 -2.943 -4.291 145 1HB PHE 20 2HB PHE 20 -2.294 -2.347 -6.626 146 2HB PHE 20 3HB PHE 20 -3.935 -1.735 -6.690 147 HD1 PHE 20 1HD PHE 20 -4.406 0.330 -5.751 148 HD2 PHE 20 2HD PHE 20 -0.960 -1.772 -4.441 149 HE1 PHE 20 1HE PHE 20 -3.721 2.313 -4.373 150 HE2 PHE 20 2HE PHE 20 -0.275 0.211 -3.063 151 HZ PHE 20 HZ PHE 20 -1.663 2.230 -3.046 152 H GLU 21 HN GLU 21 -6.109 -3.834 -4.814 153 HA GLU 21 HA GLU 21 -6.113 -5.577 -7.151 154 1HB GLU 21 2HB GLU 21 -6.545 -6.641 -4.892 155 2HB GLU 21 3HB GLU 21 -7.992 -5.664 -4.751 156 1HG GLU 21 2HG GLU 21 -9.171 -7.038 -6.130 157 2HG GLU 21 3HG GLU 21 -7.913 -7.018 -7.349 158 H GLN 22 HN GLN 22 -7.549 -5.164 -8.820 159 HA GLN 22 HA GLN 22 -9.817 -3.507 -8.316 160 1HB GLN 22 2HB GLN 22 -7.973 -1.841 -8.669 161 2HB GLN 22 3HB GLN 22 -7.662 -2.538 -10.246 162 1HG GLN 22 2HG GLN 22 -10.472 -2.038 -10.158 163 2HG GLN 22 3HG GLN 22 -9.713 -0.618 -9.467 164 1HE2 GLN 22 1HE2 GLN 22 -9.785 0.849 -11.011 165 2HE2 GLN 22 2HE2 GLN 22 -9.165 0.689 -12.620 166 H LYS 23 HN LYS 23 -10.766 -5.604 -8.954 167 HA LYS 23 HA LYS 23 -10.254 -6.515 -11.633 168 1HB LYS 23 2HB LYS 23 -11.982 -7.444 -9.344 169 2HB LYS 23 3HB LYS 23 -12.193 -8.109 -10.951 170 1HG LYS 23 2HG LYS 23 -9.635 -8.540 -10.948 171 2HG LYS 23 3HG LYS 23 -9.677 -8.178 -9.234 172 1HD LYS 23 2HD LYS 23 -11.677 -9.958 -9.229 173 2HD LYS 23 3HD LYS 23 -10.921 -10.503 -10.713 174 1HE LYS 23 2HE LYS 23 -8.819 -10.959 -9.591 175 2HE LYS 23 3HE LYS 23 -9.328 -10.112 -8.143 176 1HZ LYS 23 1HZ LYS 23 -11.213 -12.063 -8.686 177 2HZ LYS 23 2HZ LYS 23 -9.747 -12.774 -8.803 178 3HZ LYS 23 3HZ LYS 23 -10.171 -11.997 -7.430 179 H GLU 24 HN GLU 24 -10.821 -4.170 -12.375 180 HA GLU 24 HA GLU 24 -13.478 -4.360 -13.403 181 1HB GLU 24 2HB GLU 24 -12.781 -2.473 -11.222 182 2HB GLU 24 3HB GLU 24 -13.549 -1.708 -12.599 183 1HG GLU 24 2HG GLU 24 -14.992 -4.135 -12.114 184 2HG GLU 24 3HG GLU 24 -14.747 -3.385 -10.550 185 H SER 25 HN SER 25 -10.520 -2.315 -12.967 186 HA SER 25 HA SER 25 -9.139 -1.585 -14.527 187 1HB SER 25 2HB SER 25 -10.269 -3.398 -16.074 188 2HB SER 25 3HB SER 25 -11.127 -2.037 -16.769 189 HG SER 25 HG SER 25 -8.977 -2.716 -17.760 190 H ASN 26 HN ASN 26 -12.340 -0.637 -13.861 191 HA ASN 26 HA ASN 26 -11.660 2.075 -14.429 192 1HB ASN 26 2HB ASN 26 -13.738 2.529 -15.747 193 2HB ASN 26 3HB ASN 26 -12.689 1.403 -16.587 194 1HD2 ASN 26 1HD2 ASN 26 -15.770 2.023 -15.951 195 2HD2 ASN 26 2HD2 ASN 26 -16.474 0.441 -15.922 196 H GLY 27 HN GLY 27 -12.293 0.170 -12.146 197 1HA GLY 27 1HA GLY 27 -14.656 1.582 -11.060 198 2HA GLY 27 2HA GLY 27 -14.371 -0.129 -10.810 199 HA PRO 28 HA PRO 28 -12.391 1.845 -7.295 200 1HB PRO 28 2HB PRO 28 -13.267 0.084 -5.398 201 2HB PRO 28 3HB PRO 28 -14.123 1.558 -5.806 202 1HG PRO 28 2HG PRO 28 -14.784 -1.231 -6.531 203 2HG PRO 28 3HG PRO 28 -15.818 0.184 -6.554 204 1HD PRO 28 2HD PRO 28 -14.601 -1.089 -8.817 205 2HD PRO 28 3HD PRO 28 -15.539 0.391 -8.826 206 H VAL 29 HN VAL 29 -10.682 1.188 -5.764 207 HA VAL 29 HA VAL 29 -9.439 -1.279 -6.762 208 HB VAL 29 HB VAL 29 -8.047 1.313 -6.061 209 1HG1 VAL 29 1HG1 VAL 29 -6.218 -0.108 -7.439 210 2HG1 VAL 29 2HG1 VAL 29 -6.374 -0.177 -5.667 211 3HG1 VAL 29 3HG1 VAL 29 -7.113 -1.444 -6.675 212 1HG2 VAL 29 1HG2 VAL 29 -7.951 1.893 -8.267 213 2HG2 VAL 29 2HG2 VAL 29 -7.992 0.205 -8.830 214 3HG2 VAL 29 3HG2 VAL 29 -9.492 1.002 -8.296 215 H LYS 30 HN LYS 30 -9.607 -2.726 -5.124 216 HA LYS 30 HA LYS 30 -9.794 -1.831 -2.419 217 1HB LYS 30 2HB LYS 30 -9.818 -4.501 -3.809 218 2HB LYS 30 3HB LYS 30 -9.660 -4.415 -2.067 219 1HG LYS 30 2HG LYS 30 -11.759 -3.164 -1.870 220 2HG LYS 30 3HG LYS 30 -11.880 -2.998 -3.610 221 1HD LYS 30 2HD LYS 30 -11.644 -5.754 -3.319 222 2HD LYS 30 3HD LYS 30 -12.552 -5.320 -1.884 223 1HE LYS 30 2HE LYS 30 -14.122 -3.975 -3.416 224 2HE LYS 30 3HE LYS 30 -13.293 -4.700 -4.779 225 1HZ LYS 30 1HZ LYS 30 -13.904 -6.855 -3.956 226 2HZ LYS 30 2HZ LYS 30 -14.623 -6.212 -2.639 227 3HZ LYS 30 3HZ LYS 30 -15.246 -5.940 -4.124 228 H VAL 31 HN VAL 31 -7.908 -0.734 -1.834 229 HA VAL 31 HA VAL 31 -5.381 -2.095 -2.270 230 HB VAL 31 HB VAL 31 -5.938 0.561 -0.943 231 1HG1 VAL 31 1HG1 VAL 31 -3.446 -0.595 -2.239 232 2HG1 VAL 31 2HG1 VAL 31 -3.607 1.061 -1.607 233 3HG1 VAL 31 3HG1 VAL 31 -3.712 -0.329 -0.500 234 1HG2 VAL 31 1HG2 VAL 31 -6.927 0.622 -3.158 235 2HG2 VAL 31 2HG2 VAL 31 -5.427 1.580 -3.152 236 3HG2 VAL 31 3HG2 VAL 31 -5.442 -0.046 -3.877 237 H TRP 32 HN TRP 32 -4.326 -3.273 -0.737 238 HA TRP 32 HA TRP 32 -4.839 -2.791 2.048 239 1HB TRP 32 2HB TRP 32 -5.766 -4.865 2.633 240 2HB TRP 32 3HB TRP 32 -6.752 -4.236 1.329 241 HD1 TRP 32 HD1 TRP 32 -3.993 -6.924 1.880 242 HE1 TRP 32 HE1 TRP 32 -4.196 -8.852 0.089 243 HE3 TRP 32 HE3 TRP 32 -7.691 -4.729 -0.835 244 HZ2 TRP 32 HZ2 TRP 32 -5.843 -9.234 -2.210 245 HZ3 TRP 32 HZ3 TRP 32 -8.540 -5.946 -2.838 246 HH2 TRP 32 HH2 TRP 32 -7.677 -8.123 -3.538 247 H GLY 33 HN GLY 33 -3.233 -3.963 3.377 248 1HA GLY 33 1HA GLY 33 -1.268 -5.625 2.140 249 2HA GLY 33 2HA GLY 33 -0.687 -3.983 2.337 250 H SER 34 HN SER 34 0.885 -5.254 3.806 251 HA SER 34 HA SER 34 -0.026 -4.856 6.473 252 1HB SER 34 2HB SER 34 0.664 -7.638 5.455 253 2HB SER 34 3HB SER 34 0.784 -7.221 7.153 254 HG SER 34 HG SER 34 -1.489 -7.675 5.573 255 H ILE 35 HN ILE 35 1.675 -3.905 7.540 256 HA ILE 35 HA ILE 35 4.271 -4.012 6.279 257 HB ILE 35 HB ILE 35 2.792 -2.194 7.944 258 1HG1 ILE 35 2HG1 ILE 35 5.169 -0.988 7.098 259 2HG1 ILE 35 3HG1 ILE 35 4.842 -2.197 5.872 260 1HG2 ILE 35 1HG2 ILE 35 5.640 -2.679 8.856 261 2HG2 ILE 35 2HG2 ILE 35 4.504 -1.449 9.459 262 3HG2 ILE 35 3HG2 ILE 35 4.186 -3.175 9.755 263 1HD1 ILE 35 1HD1 ILE 35 3.092 0.118 6.752 264 2HD1 ILE 35 2HD1 ILE 35 3.628 -0.316 5.111 265 3HD1 ILE 35 3HD1 ILE 35 2.382 -1.291 5.928 266 H LYS 36 HN LYS 36 6.252 -4.321 7.728 267 HA LYS 36 HA LYS 36 5.844 -5.972 10.035 268 1HB LYS 36 2HB LYS 36 6.999 -7.190 7.510 269 2HB LYS 36 3HB LYS 36 7.106 -7.912 9.103 270 1HG LYS 36 2HG LYS 36 4.519 -7.712 9.201 271 2HG LYS 36 3HG LYS 36 4.585 -7.352 7.487 272 1HD LYS 36 2HD LYS 36 5.762 -9.865 8.768 273 2HD LYS 36 3HD LYS 36 4.196 -9.795 7.983 274 1HE LYS 36 2HE LYS 36 5.107 -9.648 5.847 275 2HE LYS 36 3HE LYS 36 6.519 -8.763 6.388 276 1HZ LYS 36 1HZ LYS 36 7.073 -10.968 7.549 277 2HZ LYS 36 2HZ LYS 36 6.036 -11.630 6.476 278 3HZ LYS 36 3HZ LYS 36 7.353 -10.823 5.946 279 H GLY 37 HN GLY 37 7.243 -5.046 11.425 280 1HA GLY 37 1HA GLY 37 9.714 -5.048 11.819 281 2HA GLY 37 2HA GLY 37 9.834 -4.128 10.332 282 H LEU 38 HN LEU 38 7.387 -2.537 10.693 283 HA LEU 38 HA LEU 38 8.434 -0.373 12.038 284 1HB LEU 38 2HB LEU 38 5.801 -1.171 10.949 285 2HB LEU 38 3HB LEU 38 5.779 0.113 12.141 286 HG LEU 38 HG LEU 38 7.861 0.661 10.235 287 1HD1 LEU 38 1HD1 LEU 38 5.152 0.354 8.927 288 2HD1 LEU 38 2HD1 LEU 38 6.705 0.785 8.170 289 3HD1 LEU 38 3HD1 LEU 38 6.446 -0.861 8.797 290 1HD2 LEU 38 1HD2 LEU 38 5.234 2.023 10.886 291 2HD2 LEU 38 2HD2 LEU 38 6.828 2.357 11.603 292 3HD2 LEU 38 3HD2 LEU 38 6.529 2.725 9.887 293 H THR 39 HN THR 39 6.543 0.603 13.844 294 HA THR 39 HA THR 39 6.523 -1.412 15.981 295 HB THR 39 HB THR 39 7.282 0.500 17.509 296 HG1 THR 39 1HG THR 39 7.266 2.416 16.402 297 1HG2 THR 39 1HG2 THR 39 8.875 -1.173 15.941 298 2HG2 THR 39 2HG2 THR 39 9.463 0.447 15.495 299 3HG2 THR 39 3HG2 THR 39 9.489 -0.071 17.197 300 H GLU 40 HN GLU 40 4.771 -1.373 17.361 301 HA GLU 40 HA GLU 40 2.408 -0.588 16.394 302 1HB GLU 40 2HB GLU 40 1.528 -0.815 18.685 303 2HB GLU 40 3HB GLU 40 2.705 -2.070 18.351 304 1HG GLU 40 2HG GLU 40 4.203 0.126 19.381 305 2HG GLU 40 3HG GLU 40 2.776 0.016 20.392 306 H GLY 41 HN GLY 41 1.364 1.324 16.011 307 1HA GLY 41 1HA GLY 41 0.721 3.439 17.171 308 2HA GLY 41 2HA GLY 41 2.439 3.729 17.358 309 H LEU 42 HN LEU 42 0.744 5.554 15.992 310 HA LEU 42 HA LEU 42 0.452 5.264 13.305 311 1HB LEU 42 2HB LEU 42 0.611 7.434 15.223 312 2HB LEU 42 3HB LEU 42 1.276 7.907 13.672 313 HG LEU 42 HG LEU 42 -1.431 6.590 13.873 314 1HD1 LEU 42 1HD1 LEU 42 -1.674 9.431 13.567 315 2HD1 LEU 42 2HD1 LEU 42 -2.372 8.364 14.809 316 3HD1 LEU 42 3HD1 LEU 42 -0.757 9.073 15.050 317 1HD2 LEU 42 1HD2 LEU 42 0.163 7.942 11.772 318 2HD2 LEU 42 2HD2 LEU 42 -1.028 6.625 11.652 319 3HD2 LEU 42 3HD2 LEU 42 -1.578 8.311 11.804 320 H HIS 43 HN HIS 43 1.723 5.653 11.439 321 HA HIS 43 HA HIS 43 4.492 6.299 11.787 322 1HB HIS 43 2HB HIS 43 3.591 3.505 11.138 323 2HB HIS 43 3HB HIS 43 5.077 4.122 10.444 324 HD1 HIS 43 HD1 HIS 43 6.088 5.750 12.956 325 HD2 HIS 43 HD2 HIS 43 4.666 1.804 13.028 326 HE1 HIS 43 HE1 HIS 43 7.091 4.666 15.037 327 H GLY 44 HN GLY 44 5.586 6.559 9.631 328 1HA GLY 44 1HA GLY 44 4.031 8.033 7.867 329 2HA GLY 44 2HA GLY 44 5.615 7.361 7.533 330 H PHE 45 HN PHE 45 3.276 7.607 5.710 331 HA PHE 45 HA PHE 45 3.484 5.204 4.394 332 1HB PHE 45 2HB PHE 45 1.923 4.931 6.699 333 2HB PHE 45 3HB PHE 45 0.697 5.341 5.517 334 HD1 PHE 45 1HD PHE 45 2.204 3.944 3.169 335 HD2 PHE 45 2HD PHE 45 1.104 2.707 7.077 336 HE1 PHE 45 1HE PHE 45 2.148 1.556 2.398 337 HE2 PHE 45 2HE PHE 45 1.049 0.319 6.305 338 HZ PHE 45 HZ PHE 45 1.572 -0.228 3.975 339 H HIS 46 HN HIS 46 3.719 7.028 2.857 340 HA HIS 46 HA HIS 46 1.374 7.390 1.385 341 1HB HIS 46 2HB HIS 46 1.424 9.987 1.655 342 2HB HIS 46 3HB HIS 46 0.501 8.995 2.765 343 HD1 HIS 46 HD1 HIS 46 3.953 10.652 2.588 344 HD2 HIS 46 HD2 HIS 46 1.099 9.421 5.405 345 HE1 HIS 46 HE1 HIS 46 4.798 11.454 4.857 346 H VAL 47 HN VAL 47 1.859 9.248 -0.384 347 HA VAL 47 HA VAL 47 4.277 8.438 -1.596 348 HB VAL 47 HB VAL 47 2.422 10.727 -2.279 349 1HG1 VAL 47 1HG1 VAL 47 4.836 9.638 -3.529 350 2HG1 VAL 47 2HG1 VAL 47 3.438 9.663 -4.630 351 3HG1 VAL 47 3HG1 VAL 47 3.974 11.164 -3.838 352 1HG2 VAL 47 1HG2 VAL 47 0.956 9.293 -3.245 353 2HG2 VAL 47 2HG2 VAL 47 2.229 8.153 -3.744 354 3HG2 VAL 47 3HG2 VAL 47 1.633 8.144 -2.066 355 H HIS 48 HN HIS 48 5.929 8.927 -0.025 356 HA HIS 48 HA HIS 48 6.606 11.769 -0.072 357 1HB HIS 48 2HB HIS 48 6.188 10.012 2.285 358 2HB HIS 48 3HB HIS 48 7.612 11.032 2.335 359 HD1 HIS 48 HD1 HIS 48 4.110 11.863 0.999 360 HD2 HIS 48 HD2 HIS 48 6.849 13.129 3.913 361 HE1 HIS 48 HE1 HIS 48 3.094 13.937 2.083 362 H GLU 49 HN GLU 49 8.177 11.541 -1.675 363 HA GLU 49 HA GLU 49 10.448 9.934 -0.830 364 1HB GLU 49 2HB GLU 49 8.781 9.374 -3.080 365 2HB GLU 49 3HB GLU 49 10.283 10.003 -3.728 366 1HG GLU 49 2HG GLU 49 10.553 8.011 -1.505 367 2HG GLU 49 3HG GLU 49 9.925 7.387 -3.017 368 H GLU 50 HN GLU 50 11.332 11.972 -0.039 369 HA GLU 50 HA GLU 50 11.786 13.974 -2.066 370 1HB GLU 50 2HB GLU 50 12.334 13.939 0.933 371 2HB GLU 50 3HB GLU 50 12.721 15.294 -0.109 372 1HG GLU 50 2HG GLU 50 9.915 14.196 -0.225 373 2HG GLU 50 3HG GLU 50 10.366 15.128 1.189 374 H GLU 51 HN GLU 51 13.170 12.091 -3.117 375 HA GLU 51 HA GLU 51 15.135 11.449 -3.781 376 1HB GLU 51 2HB GLU 51 15.855 13.952 -2.298 377 2HB GLU 51 3HB GLU 51 17.177 12.868 -2.682 378 1HG GLU 51 2HG GLU 51 16.930 13.142 -4.989 379 2HG GLU 51 3HG GLU 51 15.209 13.453 -4.881 380 H ASP 52 HN ASP 52 16.780 12.486 -0.814 381 HA ASP 52 HA ASP 52 17.482 11.421 0.953 382 1HB ASP 52 2HB ASP 52 15.063 10.157 0.559 383 2HB ASP 52 3HB ASP 52 16.157 8.796 0.419 384 H ASN 53 HN ASN 53 18.698 9.128 1.519 385 HA ASN 53 HA ASN 53 19.936 8.221 -0.959 386 1HB ASN 53 2HB ASN 53 21.228 9.018 1.687 387 2HB ASN 53 3HB ASN 53 22.052 7.936 0.582 388 1HD2 ASN 53 1HD2 ASN 53 22.532 8.646 -1.553 389 2HD2 ASN 53 2HD2 ASN 53 22.760 10.325 -1.915 390 H THR 54 HN THR 54 17.707 7.191 0.878 391 HA THR 54 HA THR 54 18.940 4.593 1.484 392 HB THR 54 HB THR 54 18.725 5.671 3.637 393 HG1 THR 54 1HG THR 54 17.181 4.182 4.465 394 1HG2 THR 54 1HG2 THR 54 17.262 7.412 3.881 395 2HG2 THR 54 2HG2 THR 54 16.428 6.982 2.369 396 3HG2 THR 54 3HG2 THR 54 15.948 6.211 3.900 397 H ALA 55 HN ALA 55 18.081 3.071 0.233 398 HA ALA 55 HA ALA 55 15.430 2.443 0.145 399 1HB ALA 55 1HB ALA 55 14.431 3.922 -1.217 400 2HB ALA 55 2HB ALA 55 15.970 4.792 -1.426 401 3HB ALA 55 3HB ALA 55 15.547 3.456 -2.523 402 H GLY 56 HN GLY 56 15.687 0.305 -0.236 403 1HA GLY 56 1HA GLY 56 17.781 -0.498 -2.157 404 2HA GLY 56 2HA GLY 56 17.204 -1.452 -0.805 405 H CYS 57 HN CYS 57 15.634 0.356 -3.552 406 HA CYS 57 HA CYS 57 14.238 -2.143 -4.173 407 1HB CYS 57 2HB CYS 57 12.814 0.347 -4.837 408 2HB CYS 57 3HB CYS 57 12.207 -1.181 -4.231 409 H THR 58 HN THR 58 12.916 -0.858 -6.501 410 HA THR 58 HA THR 58 15.225 -0.858 -8.276 411 HB THR 58 HB THR 58 13.495 -1.221 -10.005 412 HG1 THR 58 1HG THR 58 11.621 -0.179 -9.440 413 1HG2 THR 58 1HG2 THR 58 13.120 -2.780 -7.413 414 2HG2 THR 58 2HG2 THR 58 12.114 -3.121 -8.842 415 3HG2 THR 58 3HG2 THR 58 13.880 -3.327 -8.926 416 H SER 59 HN SER 59 13.356 0.703 -10.221 417 HA SER 59 HA SER 59 13.656 3.320 -9.032 418 1HB SER 59 2HB SER 59 15.393 2.227 -11.120 419 2HB SER 59 3HB SER 59 14.552 3.652 -11.696 420 HG SER 59 HG SER 59 16.508 4.285 -10.676 421 H ALA 60 HN ALA 60 11.234 2.839 -9.040 422 HA ALA 60 HA ALA 60 9.940 2.678 -11.583 423 1HB ALA 60 1HB ALA 60 8.764 1.621 -9.865 424 2HB ALA 60 2HB ALA 60 9.112 2.912 -8.691 425 3HB ALA 60 3HB ALA 60 7.915 3.181 -9.980 426 H GLY 61 HN GLY 61 9.832 5.172 -8.932 427 1HA GLY 61 1HA GLY 61 10.586 7.428 -9.871 428 2HA GLY 61 2HA GLY 61 9.276 7.189 -11.010 429 HA PRO 62 HA PRO 62 7.728 8.348 -6.668 430 1HB PRO 62 2HB PRO 62 8.918 10.652 -5.804 431 2HB PRO 62 3HB PRO 62 9.394 9.061 -5.246 432 1HG PRO 62 2HG PRO 62 10.778 10.846 -7.151 433 2HG PRO 62 3HG PRO 62 11.419 9.476 -6.267 434 1HD PRO 62 2HD PRO 62 10.689 9.539 -9.040 435 2HD PRO 62 3HD PRO 62 11.220 8.141 -8.127 436 H HIS 63 HN HIS 63 6.032 9.836 -6.129 437 HA HIS 63 HA HIS 63 5.194 11.146 -8.549 438 1HB HIS 63 2HB HIS 63 3.762 9.722 -6.932 439 2HB HIS 63 3HB HIS 63 3.729 11.147 -5.912 440 HD1 HIS 63 HD1 HIS 63 1.038 10.424 -6.790 441 HD2 HIS 63 HD2 HIS 63 3.557 12.683 -9.269 442 HE1 HIS 63 HE1 HIS 63 -0.483 11.631 -8.445 443 H PHE 64 HN PHE 64 5.171 12.243 -5.083 444 HA PHE 64 HA PHE 64 6.911 14.241 -5.111 445 1HB PHE 64 2HB PHE 64 4.567 14.773 -6.882 446 2HB PHE 64 3HB PHE 64 4.805 16.043 -5.698 447 HD1 PHE 64 1HD PHE 64 5.203 15.821 -8.874 448 HD2 PHE 64 2HD PHE 64 7.796 16.008 -5.520 449 HE1 PHE 64 1HE PHE 64 6.994 16.830 -10.315 450 HE2 PHE 64 2HE PHE 64 9.587 17.017 -6.961 451 HZ PHE 64 HZ PHE 64 9.164 17.416 -9.341 452 H ASN 65 HN ASN 65 5.631 16.453 -3.949 453 HA ASN 65 HA ASN 65 4.613 15.167 -1.579 454 1HB ASN 65 2HB ASN 65 4.776 17.673 -0.743 455 2HB ASN 65 3HB ASN 65 6.255 16.766 -0.987 456 1HD2 ASN 65 1HD2 ASN 65 4.567 19.552 -1.701 457 2HD2 ASN 65 2HD2 ASN 65 5.498 20.155 -3.031 458 HA PRO 66 HA PRO 66 0.565 16.714 -2.250 459 1HB PRO 66 2HB PRO 66 -0.352 17.247 0.269 460 2HB PRO 66 3HB PRO 66 -0.282 15.630 -0.403 461 1HG PRO 66 2HG PRO 66 1.486 16.879 1.611 462 2HG PRO 66 3HG PRO 66 1.268 15.179 1.244 463 1HD PRO 66 2HD PRO 66 3.474 16.835 0.459 464 2HD PRO 66 3HD PRO 66 3.198 15.167 -0.004 465 H LEU 67 HN LEU 67 2.695 18.760 -0.453 466 HA LEU 67 HA LEU 67 3.043 20.946 -0.709 467 1HB LEU 67 2HB LEU 67 2.004 20.474 -3.064 468 2HB LEU 67 3HB LEU 67 0.610 21.314 -2.415 469 HG LEU 67 HG LEU 67 2.297 22.671 -3.770 470 1HD1 LEU 67 1HD1 LEU 67 1.235 24.398 -2.874 471 2HD1 LEU 67 2HD1 LEU 67 0.666 23.333 -1.566 472 3HD1 LEU 67 3HD1 LEU 67 2.178 24.253 -1.371 473 1HD2 LEU 67 1HD2 LEU 67 3.884 22.784 -1.210 474 2HD2 LEU 67 2HD2 LEU 67 4.267 21.622 -2.503 475 3HD2 LEU 67 3HD2 LEU 67 4.322 23.371 -2.833 476 H SER 68 HN SER 68 0.313 19.363 0.522 477 HA SER 68 HA SER 68 -0.592 21.813 1.810 478 1HB SER 68 2HB SER 68 -1.933 19.185 1.158 479 2HB SER 68 3HB SER 68 -2.537 20.133 2.502 480 HG SER 68 HG SER 68 -2.847 21.933 1.050 481 H ARG 69 HN ARG 69 1.158 18.844 2.227 482 HA ARG 69 HA ARG 69 0.553 18.419 4.924 483 1HB ARG 69 2HB ARG 69 2.700 17.488 3.006 484 2HB ARG 69 3HB ARG 69 2.940 17.192 4.717 485 1HG ARG 69 2HG ARG 69 0.292 16.464 3.431 486 2HG ARG 69 3HG ARG 69 1.671 15.400 3.233 487 1HD ARG 69 2HD ARG 69 0.558 16.338 5.924 488 2HD ARG 69 3HD ARG 69 0.259 14.767 5.206 489 HE ARG 69 HE ARG 69 2.531 14.139 5.620 490 1HH1 ARG 69 2HH2 ARG 69 1.874 17.447 6.624 491 2HH1 ARG 69 1HH2 ARG 69 3.313 17.579 7.578 492 1HH2 ARG 69 2HH1 ARG 69 4.430 14.313 6.879 493 2HH2 ARG 69 1HH1 ARG 69 4.777 15.784 7.724 494 H LYS 70 HN LYS 70 0.827 21.015 5.165 495 HA LYS 70 HA LYS 70 3.595 21.739 5.623 496 1HB LYS 70 2HB LYS 70 1.277 23.112 4.806 497 2HB LYS 70 3HB LYS 70 1.636 23.729 6.406 498 1HG LYS 70 2HG LYS 70 3.185 25.056 5.398 499 2HG LYS 70 3HG LYS 70 4.167 23.613 5.245 500 1HD LYS 70 2HD LYS 70 3.073 23.143 3.018 501 2HD LYS 70 3HD LYS 70 2.173 24.639 3.169 502 1HE LYS 70 2HE LYS 70 5.051 25.063 3.625 503 2HE LYS 70 3HE LYS 70 4.750 24.336 2.059 504 1HZ LYS 70 1HZ LYS 70 3.094 26.574 2.896 505 2HZ LYS 70 2HZ LYS 70 4.608 26.874 2.365 506 3HZ LYS 70 3HZ LYS 70 3.536 26.122 1.390 507 H HIS 71 HN HIS 71 3.871 20.042 7.316 508 HA HIS 71 HA HIS 71 4.003 19.392 9.407 509 1HB HIS 71 2HB HIS 71 5.158 21.280 10.019 510 2HB HIS 71 3HB HIS 71 3.829 22.362 9.650 511 HD1 HIS 71 HD1 HIS 71 3.261 23.521 11.789 512 HD2 HIS 71 HD2 HIS 71 3.906 19.414 12.344 513 HE1 HIS 71 HE1 HIS 71 2.749 23.042 14.242 514 H GLY 72 HN GLY 72 1.960 18.174 8.857 515 1HA GLY 72 1HA GLY 72 0.214 17.979 10.894 516 2HA GLY 72 2HA GLY 72 -0.510 19.244 9.921 517 H GLY 73 HN GLY 73 -2.245 18.257 8.927 518 1HA GLY 73 1HA GLY 73 -2.076 16.802 6.670 519 2HA GLY 73 2HA GLY 73 -2.010 15.560 7.905 520 HA PRO 74 HA PRO 74 -6.360 15.854 7.902 521 1HB PRO 74 2HB PRO 74 -6.890 13.972 9.811 522 2HB PRO 74 3HB PRO 74 -6.586 13.574 8.132 523 1HG PRO 74 2HG PRO 74 -4.800 13.251 10.465 524 2HG PRO 74 3HG PRO 74 -4.696 12.491 8.890 525 1HD PRO 74 2HD PRO 74 -3.101 14.672 9.849 526 2HD PRO 74 3HD PRO 74 -3.078 13.988 8.237 527 H LYS 75 HN LYS 75 -5.285 18.042 8.985 528 HA LYS 75 HA LYS 75 -6.683 18.195 11.564 529 1HB LYS 75 2HB LYS 75 -4.253 19.681 10.534 530 2HB LYS 75 3HB LYS 75 -5.133 20.155 11.973 531 1HG LYS 75 2HG LYS 75 -4.073 17.323 11.599 532 2HG LYS 75 3HG LYS 75 -3.086 18.593 12.295 533 1HD LYS 75 2HD LYS 75 -5.859 17.996 13.393 534 2HD LYS 75 3HD LYS 75 -4.469 17.063 13.910 535 1HE LYS 75 2HE LYS 75 -3.334 19.091 14.718 536 2HE LYS 75 3HE LYS 75 -4.593 20.112 14.052 537 1HZ LYS 75 1HZ LYS 75 -4.636 19.349 16.519 538 2HZ LYS 75 2HZ LYS 75 -6.026 19.517 15.678 539 3HZ LYS 75 3HZ LYS 75 -5.387 18.033 15.909 540 H ASP 76 HN ASP 76 -5.787 20.143 8.629 541 HA ASP 76 HA ASP 76 -8.439 21.322 8.863 542 1HB ASP 76 2HB ASP 76 -6.854 23.024 9.576 543 2HB ASP 76 3HB ASP 76 -5.782 22.676 8.235 544 H GLU 77 HN GLU 77 -5.707 21.901 6.553 545 HA GLU 77 HA GLU 77 -7.288 20.535 4.519 546 1HB GLU 77 2HB GLU 77 -7.319 23.112 4.415 547 2HB GLU 77 3HB GLU 77 -5.620 23.026 3.993 548 1HG GLU 77 2HG GLU 77 -6.355 22.848 1.838 549 2HG GLU 77 3HG GLU 77 -6.686 21.174 2.239 550 H GLU 78 HN GLU 78 -4.573 20.385 6.365 551 HA GLU 78 HA GLU 78 -2.545 20.054 4.491 552 1HB GLU 78 2HB GLU 78 -2.941 19.144 7.356 553 2HB GLU 78 3HB GLU 78 -1.515 18.659 6.462 554 1HG GLU 78 2HG GLU 78 -0.595 20.643 7.078 555 2HG GLU 78 3HG GLU 78 -1.673 21.401 5.923 556 H ARG 79 HN ARG 79 -1.718 18.211 3.423 557 HA ARG 79 HA ARG 79 -1.726 16.261 2.493 558 1HB ARG 79 2HB ARG 79 -1.596 15.329 4.794 559 2HB ARG 79 3HB ARG 79 -3.342 15.362 4.931 560 1HG ARG 79 2HG ARG 79 -2.053 13.849 2.642 561 2HG ARG 79 3HG ARG 79 -2.111 13.119 4.235 562 1HD ARG 79 2HD ARG 79 -4.427 13.914 2.441 563 2HD ARG 79 3HD ARG 79 -4.110 12.359 3.185 564 HE ARG 79 HE ARG 79 -4.445 13.878 5.401 565 1HH1 ARG 79 2HH2 ARG 79 -6.321 13.775 2.426 566 2HH1 ARG 79 1HH2 ARG 79 -7.804 14.234 3.194 567 1HH2 ARG 79 2HH1 ARG 79 -6.401 14.483 6.416 568 2HH2 ARG 79 1HH1 ARG 79 -7.850 14.639 5.479 569 H HIS 80 HN HIS 80 -2.933 16.562 0.604 570 HA HIS 80 HA HIS 80 -5.320 15.255 0.284 571 1HB HIS 80 2HB HIS 80 -5.755 17.675 1.643 572 2HB HIS 80 3HB HIS 80 -6.230 17.998 -0.013 573 HD1 HIS 80 HD1 HIS 80 -8.567 18.118 1.680 574 HD2 HIS 80 HD2 HIS 80 -7.105 14.403 0.392 575 HE1 HIS 80 HE1 HIS 80 -10.506 16.473 1.896 576 H VAL 81 HN VAL 81 -2.748 15.623 -0.962 577 HA VAL 81 HA VAL 81 -3.683 16.609 -3.556 578 HB VAL 81 HB VAL 81 -1.279 17.435 -1.988 579 1HG1 VAL 81 1HG1 VAL 81 -0.345 16.345 -4.000 580 2HG1 VAL 81 2HG1 VAL 81 -1.355 17.393 -5.025 581 3HG1 VAL 81 3HG1 VAL 81 -0.081 18.105 -4.006 582 1HG2 VAL 81 1HG2 VAL 81 -3.609 18.669 -3.170 583 2HG2 VAL 81 2HG2 VAL 81 -2.403 19.361 -2.058 584 3HG2 VAL 81 3HG2 VAL 81 -2.126 19.413 -3.816 585 H GLY 82 HN GLY 82 -1.299 14.675 -1.652 586 1HA GLY 82 1HA GLY 82 -1.448 12.609 -3.724 587 2HA GLY 82 2HA GLY 82 0.126 13.278 -3.342 588 H ASP 83 HN ASP 83 -0.110 13.715 -0.539 589 HA ASP 83 HA ASP 83 0.485 11.182 0.381 590 1HB ASP 83 2HB ASP 83 1.350 13.187 1.473 591 2HB ASP 83 3HB ASP 83 -0.268 13.760 1.825 592 H LEU 84 HN LEU 84 -0.800 9.607 1.456 593 HA LEU 84 HA LEU 84 -3.647 10.287 1.704 594 1HB LEU 84 2HB LEU 84 -2.385 8.257 0.259 595 2HB LEU 84 3HB LEU 84 -3.024 7.454 1.680 596 HG LEU 84 HG LEU 84 -4.578 7.374 -0.214 597 1HD1 LEU 84 1HD1 LEU 84 -6.426 7.548 1.081 598 2HD1 LEU 84 2HD1 LEU 84 -5.212 7.760 2.365 599 3HD1 LEU 84 3HD1 LEU 84 -6.014 9.182 1.655 600 1HD2 LEU 84 1HD2 LEU 84 -4.677 9.124 -1.584 601 2HD2 LEU 84 2HD2 LEU 84 -5.707 9.911 -0.363 602 3HD2 LEU 84 3HD2 LEU 84 -3.952 10.210 -0.374 603 H GLY 85 HN GLY 85 -2.604 11.313 3.791 604 1HA GLY 85 1HA GLY 85 -2.231 11.219 6.015 605 2HA GLY 85 2HA GLY 85 -3.540 10.054 6.004 606 H ASN 86 HN ASN 86 -2.076 9.389 7.983 607 HA ASN 86 HA ASN 86 -0.002 7.601 6.994 608 1HB ASN 86 2HB ASN 86 -0.461 8.857 9.748 609 2HB ASN 86 3HB ASN 86 0.740 7.613 9.463 610 1HD2 ASN 86 1HD2 ASN 86 2.318 9.118 10.137 611 2HD2 ASN 86 2HD2 ASN 86 2.932 10.338 9.072 612 H VAL 87 HN VAL 87 0.221 5.630 8.765 613 HA VAL 87 HA VAL 87 -2.497 4.733 9.418 614 HB VAL 87 HB VAL 87 -0.338 2.887 8.433 615 1HG1 VAL 87 1HG1 VAL 87 -3.222 2.713 9.100 616 2HG1 VAL 87 2HG1 VAL 87 -2.710 1.835 7.639 617 3HG1 VAL 87 3HG1 VAL 87 -1.940 1.483 9.205 618 1HG2 VAL 87 1HG2 VAL 87 -1.958 4.797 6.851 619 2HG2 VAL 87 2HG2 VAL 87 -0.419 3.992 6.461 620 3HG2 VAL 87 3HG2 VAL 87 -1.957 3.118 6.259 621 H THR 88 HN THR 88 -2.250 2.666 10.952 622 HA THR 88 HA THR 88 -0.100 3.272 12.872 623 HB THR 88 HB THR 88 -3.046 2.624 13.413 624 HG1 THR 88 1HG THR 88 -2.823 4.894 14.239 625 1HG2 THR 88 1HG2 THR 88 -1.303 1.826 15.166 626 2HG2 THR 88 2HG2 THR 88 -0.898 3.546 15.378 627 3HG2 THR 88 3HG2 THR 88 -2.539 2.966 15.749 628 H ALA 89 HN ALA 89 0.738 1.511 14.081 629 HA ALA 89 HA ALA 89 0.584 -0.954 12.582 630 1HB ALA 89 1HB ALA 89 2.304 -1.494 14.575 631 2HB ALA 89 2HB ALA 89 2.780 -0.557 13.139 632 3HB ALA 89 3HB ALA 89 2.360 0.283 14.651 633 H ASP 90 HN ASP 90 0.482 -3.068 13.931 634 HA ASP 90 HA ASP 90 -1.968 -2.941 15.355 635 1HB ASP 90 2HB ASP 90 -1.635 -4.862 13.959 636 2HB ASP 90 3HB ASP 90 -0.026 -5.148 14.591 637 H LYS 91 HN LYS 91 0.561 -5.210 16.408 638 HA LYS 91 HA LYS 91 1.039 -3.639 18.824 639 1HB LYS 91 2HB LYS 91 0.308 -5.239 20.299 640 2HB LYS 91 3HB LYS 91 -0.880 -5.412 19.022 641 1HG LYS 91 2HG LYS 91 0.414 -7.304 18.048 642 2HG LYS 91 3HG LYS 91 1.645 -7.114 19.281 643 1HD LYS 91 2HD LYS 91 -0.028 -7.621 21.056 644 2HD LYS 91 3HD LYS 91 -1.287 -7.762 19.846 645 1HE LYS 91 2HE LYS 91 0.049 -9.631 18.755 646 2HE LYS 91 3HE LYS 91 1.188 -9.538 20.084 647 1HZ LYS 91 1HZ LYS 91 -1.392 -9.687 21.120 648 2HZ LYS 91 2HZ LYS 91 -1.216 -10.883 20.022 649 3HZ LYS 91 3HZ LYS 91 -0.174 -10.764 21.273 650 H ASP 92 HN ASP 92 2.337 -4.775 16.132 651 HA ASP 92 HA ASP 92 4.830 -5.301 17.466 652 1HB ASP 92 2HB ASP 92 3.312 -7.283 15.804 653 2HB ASP 92 3HB ASP 92 5.029 -7.167 15.474 654 H GLY 93 HN GLY 93 3.371 -3.226 15.708 655 1HA GLY 93 1HA GLY 93 4.301 -1.697 14.257 656 2HA GLY 93 2HA GLY 93 5.529 -2.855 13.788 657 H VAL 94 HN VAL 94 3.529 -5.074 13.366 658 HA VAL 94 HA VAL 94 3.169 -4.898 10.689 659 HB VAL 94 HB VAL 94 1.267 -6.254 12.604 660 1HG1 VAL 94 1HG1 VAL 94 2.197 -7.374 9.973 661 2HG1 VAL 94 2HG1 VAL 94 0.695 -7.687 10.876 662 3HG1 VAL 94 3HG1 VAL 94 0.907 -6.148 10.007 663 1HG2 VAL 94 1HG2 VAL 94 4.124 -6.634 12.249 664 2HG2 VAL 94 2HG2 VAL 94 3.013 -7.383 13.421 665 3HG2 VAL 94 3HG2 VAL 94 3.219 -8.101 11.805 666 H ALA 95 HN ALA 95 2.261 -3.268 9.539 667 HA ALA 95 HA ALA 95 -0.245 -2.153 10.596 668 1HB ALA 95 1HB ALA 95 0.594 -0.114 10.144 669 2HB ALA 95 2HB ALA 95 2.163 -0.905 9.859 670 3HB ALA 95 3HB ALA 95 1.057 -0.603 8.497 671 H ASP 96 HN ASP 96 -2.035 -2.867 9.562 672 HA ASP 96 HA ASP 96 -1.655 -3.798 6.834 673 1HB ASP 96 2HB ASP 96 -3.571 -5.200 7.158 674 2HB ASP 96 3HB ASP 96 -2.620 -5.351 8.623 675 H VAL 97 HN VAL 97 -3.272 -3.114 5.201 676 HA VAL 97 HA VAL 97 -4.891 -0.816 6.048 677 HB VAL 97 HB VAL 97 -3.252 -1.082 3.520 678 1HG1 VAL 97 1HG1 VAL 97 -5.275 0.940 4.459 679 2HG1 VAL 97 2HG1 VAL 97 -3.939 1.436 3.393 680 3HG1 VAL 97 3HG1 VAL 97 -5.086 0.184 2.859 681 1HG2 VAL 97 1HG2 VAL 97 -1.882 -0.649 5.533 682 2HG2 VAL 97 2HG2 VAL 97 -1.886 0.731 4.409 683 3HG2 VAL 97 3HG2 VAL 97 -2.877 0.784 5.887 684 H SER 98 HN SER 98 -6.778 -0.415 4.595 685 HA SER 98 HA SER 98 -7.472 -2.362 2.706 686 1HB SER 98 2HB SER 98 -9.337 -3.446 3.874 687 2HB SER 98 3HB SER 98 -7.842 -3.738 4.740 688 HG SER 98 HG SER 98 -9.176 -1.413 5.569 689 H ILE 99 HN ILE 99 -7.933 -0.492 1.442 690 HA ILE 99 HA ILE 99 -10.314 0.969 2.341 691 HB ILE 99 HB ILE 99 -7.879 2.106 0.962 692 1HG1 ILE 99 2HG1 ILE 99 -8.888 3.053 3.615 693 2HG1 ILE 99 3HG1 ILE 99 -7.988 1.550 3.563 694 1HG2 ILE 99 1HG2 ILE 99 -9.617 3.325 0.038 695 2HG2 ILE 99 2HG2 ILE 99 -10.614 3.227 1.509 696 3HG2 ILE 99 3HG2 ILE 99 -9.189 4.293 1.469 697 1HD1 ILE 99 1HD1 ILE 99 -6.983 4.254 3.395 698 2HD1 ILE 99 2HD1 ILE 99 -6.063 2.732 3.463 699 3HD1 ILE 99 3HD1 ILE 99 -6.574 3.394 1.892 700 H GLU 100 HN GLU 100 -11.809 1.552 0.680 701 HA GLU 100 HA GLU 100 -11.215 0.308 -1.885 702 1HB GLU 100 2HB GLU 100 -12.734 -1.144 -0.498 703 2HB GLU 100 3HB GLU 100 -13.896 0.165 -0.438 704 1HG GLU 100 2HG GLU 100 -14.235 0.100 -2.841 705 2HG GLU 100 3HG GLU 100 -12.856 -0.956 -3.075 706 H ASP 101 HN ASP 101 -10.731 2.345 -2.838 707 HA ASP 101 HA ASP 101 -12.781 4.365 -2.621 708 1HB ASP 101 2HB ASP 101 -10.070 4.392 -4.032 709 2HB ASP 101 3HB ASP 101 -11.126 5.781 -3.870 710 H SER 102 HN SER 102 -13.475 5.473 -4.748 711 HA SER 102 HA SER 102 -13.490 3.503 -6.901 712 1HB SER 102 2HB SER 102 -15.735 4.498 -7.532 713 2HB SER 102 3HB SER 102 -15.724 3.628 -6.011 714 HG SER 102 HG SER 102 -16.691 5.984 -6.270 715 H VAL 103 HN VAL 103 -13.678 7.013 -6.018 716 HA VAL 103 HA VAL 103 -13.572 8.169 -8.460 717 HB VAL 103 HB VAL 103 -12.249 8.884 -5.849 718 1HG1 VAL 103 1HG1 VAL 103 -12.558 11.219 -7.426 719 2HG1 VAL 103 2HG1 VAL 103 -11.048 10.476 -6.846 720 3HG1 VAL 103 3HG1 VAL 103 -11.708 10.024 -8.436 721 1HG2 VAL 103 1HG2 VAL 103 -14.085 10.417 -5.588 722 2HG2 VAL 103 2HG2 VAL 103 -14.658 10.094 -7.242 723 3HG2 VAL 103 3HG2 VAL 103 -14.751 8.820 -6.002 724 H ILE 104 HN ILE 104 -10.716 7.043 -6.516 725 HA ILE 104 HA ILE 104 -8.876 7.634 -8.564 726 HB ILE 104 HB ILE 104 -7.325 6.297 -7.206 727 1HG1 ILE 104 2HG1 ILE 104 -8.154 5.416 -5.003 728 2HG1 ILE 104 3HG1 ILE 104 -9.794 5.650 -5.573 729 1HG2 ILE 104 1HG2 ILE 104 -7.962 8.718 -6.735 730 2HG2 ILE 104 2HG2 ILE 104 -8.959 8.085 -5.404 731 3HG2 ILE 104 3HG2 ILE 104 -7.200 7.810 -5.408 732 1HD1 ILE 104 1HD1 ILE 104 -9.668 3.914 -7.109 733 2HD1 ILE 104 2HD1 ILE 104 -7.923 4.140 -7.380 734 3HD1 ILE 104 3HD1 ILE 104 -8.497 3.318 -5.908 735 H SER 105 HN SER 105 -7.429 5.819 -9.538 736 HA SER 105 HA SER 105 -8.471 3.292 -9.894 737 1HB SER 105 2HB SER 105 -9.975 3.451 -11.570 738 2HB SER 105 3HB SER 105 -9.908 5.194 -11.405 739 HG SER 105 HG SER 105 -9.269 3.897 -13.559 740 H LEU 106 HN LEU 106 -7.483 2.490 -12.332 741 HA LEU 106 HA LEU 106 -4.728 3.508 -12.262 742 1HB LEU 106 2HB LEU 106 -5.800 0.743 -12.824 743 2HB LEU 106 3HB LEU 106 -4.148 1.227 -13.152 744 HG LEU 106 HG LEU 106 -3.881 1.776 -10.719 745 1HD1 LEU 106 1HD1 LEU 106 -5.769 2.053 -9.557 746 2HD1 LEU 106 2HD1 LEU 106 -6.737 1.118 -10.722 747 3HD1 LEU 106 3HD1 LEU 106 -5.811 0.277 -9.455 748 1HD2 LEU 106 1HD2 LEU 106 -3.384 -0.425 -10.088 749 2HD2 LEU 106 2HD2 LEU 106 -4.701 -1.105 -11.074 750 3HD2 LEU 106 3HD2 LEU 106 -3.257 -0.427 -11.864 751 H SER 107 HN SER 107 -7.082 4.603 -13.754 752 HA SER 107 HA SER 107 -6.377 3.837 -16.455 753 1HB SER 107 2HB SER 107 -8.688 5.368 -15.226 754 2HB SER 107 3HB SER 107 -8.375 5.472 -16.947 755 HG SER 107 HG SER 107 -8.975 3.097 -15.408 756 H GLY 108 HN GLY 108 -6.151 5.691 -18.098 757 1HA GLY 108 1HA GLY 108 -4.109 7.453 -17.274 758 2HA GLY 108 2HA GLY 108 -4.963 7.465 -18.805 759 H ASP 109 HN ASP 109 -5.304 8.418 -15.328 760 HA ASP 109 HA ASP 109 -5.981 10.994 -15.869 761 1HB ASP 109 2HB ASP 109 -8.285 9.098 -15.973 762 2HB ASP 109 3HB ASP 109 -8.541 10.501 -14.955 763 H HIS 110 HN HIS 110 -7.242 8.227 -13.847 764 HA HIS 110 HA HIS 110 -6.504 9.780 -11.477 765 1HB HIS 110 2HB HIS 110 -8.502 7.513 -11.727 766 2HB HIS 110 3HB HIS 110 -8.145 8.417 -10.268 767 HD1 HIS 110 HD1 HIS 110 -9.665 8.922 -13.729 768 HD2 HIS 110 HD2 HIS 110 -9.568 10.770 -9.965 769 HE1 HIS 110 HE1 HIS 110 -11.372 10.817 -13.819 770 H SER 111 HN SER 111 -4.965 7.834 -13.430 771 HA SER 111 HA SER 111 -4.402 5.483 -12.314 772 1HB SER 111 2HB SER 111 -2.335 5.532 -13.486 773 2HB SER 111 3HB SER 111 -3.384 6.600 -14.397 774 HG SER 111 HG SER 111 -1.179 7.250 -12.688 775 H ILE 112 HN ILE 112 -3.860 4.863 -10.258 776 HA ILE 112 HA ILE 112 -2.689 6.845 -8.498 777 HB ILE 112 HB ILE 112 -3.078 5.046 -6.786 778 1HG1 ILE 112 2HG1 ILE 112 -5.021 3.608 -8.414 779 2HG1 ILE 112 3HG1 ILE 112 -3.392 3.407 -9.029 780 1HG2 ILE 112 1HG2 ILE 112 -4.675 6.989 -7.614 781 2HG2 ILE 112 2HG2 ILE 112 -5.687 5.616 -8.124 782 3HG2 ILE 112 3HG2 ILE 112 -5.208 5.783 -6.418 783 1HD1 ILE 112 1HD1 ILE 112 -4.567 2.510 -6.432 784 2HD1 ILE 112 2HD1 ILE 112 -3.315 1.745 -7.439 785 3HD1 ILE 112 3HD1 ILE 112 -2.889 3.101 -6.367 786 H ILE 113 HN ILE 113 -1.681 4.367 -10.651 787 HA ILE 113 HA ILE 113 0.436 3.228 -9.284 788 HB ILE 113 HB ILE 113 0.235 3.859 -12.230 789 1HG1 ILE 113 2HG1 ILE 113 -1.000 1.695 -10.540 790 2HG1 ILE 113 3HG1 ILE 113 -1.753 2.721 -11.745 791 1HG2 ILE 113 1HG2 ILE 113 1.619 1.445 -11.154 792 2HG2 ILE 113 2HG2 ILE 113 1.934 2.392 -12.628 793 3HG2 ILE 113 3HG2 ILE 113 2.451 3.014 -11.042 794 1HD1 ILE 113 1HD1 ILE 113 -0.029 0.282 -12.132 795 2HD1 ILE 113 2HD1 ILE 113 -1.528 0.753 -12.969 796 3HD1 ILE 113 3HD1 ILE 113 0.010 1.548 -13.382 797 H GLY 114 HN GLY 114 2.478 3.871 -8.723 798 1HA GLY 114 1HA GLY 114 4.416 5.196 -9.244 799 2HA GLY 114 2HA GLY 114 3.360 6.510 -9.722 800 H ARG 115 HN ARG 115 1.963 4.935 -7.047 801 HA ARG 115 HA ARG 115 2.714 7.133 -5.390 802 1HB ARG 115 2HB ARG 115 0.682 4.913 -5.296 803 2HB ARG 115 3HB ARG 115 1.162 5.600 -3.758 804 1HG ARG 115 2HG ARG 115 0.780 7.877 -5.320 805 2HG ARG 115 3HG ARG 115 -0.457 6.799 -5.935 806 1HD ARG 115 2HD ARG 115 -1.407 6.490 -3.704 807 2HD ARG 115 3HD ARG 115 -0.059 7.320 -2.952 808 HE ARG 115 HE ARG 115 -0.953 9.403 -3.635 809 1HH1 ARG 115 2HH2 ARG 115 -2.747 6.751 -5.094 810 2HH1 ARG 115 1HH2 ARG 115 -4.042 7.761 -5.644 811 1HH2 ARG 115 2HH1 ARG 115 -2.661 10.736 -4.360 812 2HH2 ARG 115 1HH1 ARG 115 -3.993 10.043 -5.224 813 H THR 116 HN THR 116 4.479 7.065 -4.036 814 HA THR 116 HA THR 116 5.557 4.427 -3.350 815 HB THR 116 HB THR 116 6.861 7.155 -2.945 816 HG1 THR 116 1HG THR 116 6.180 6.979 -5.171 817 1HG2 THR 116 1HG2 THR 116 8.693 5.881 -2.461 818 2HG2 THR 116 2HG2 THR 116 7.690 4.416 -2.597 819 3HG2 THR 116 3HG2 THR 116 8.534 5.053 -4.029 820 H LEU 117 HN LEU 117 4.051 3.813 -1.741 821 HA LEU 117 HA LEU 117 3.445 5.512 0.423 822 1HB LEU 117 2HB LEU 117 3.080 2.626 -0.242 823 2HB LEU 117 3HB LEU 117 2.873 3.129 1.424 824 HG LEU 117 HG LEU 117 0.737 3.061 0.288 825 1HD1 LEU 117 1HD1 LEU 117 0.559 5.866 0.394 826 2HD1 LEU 117 2HD1 LEU 117 0.186 4.695 1.683 827 3HD1 LEU 117 3HD1 LEU 117 1.814 5.408 1.571 828 1HD2 LEU 117 1HD2 LEU 117 1.904 3.640 -1.992 829 2HD2 LEU 117 2HD2 LEU 117 0.203 4.078 -1.701 830 3HD2 LEU 117 3HD2 LEU 117 1.478 5.310 -1.546 831 H VAL 118 HN VAL 118 5.615 6.361 0.919 832 HA VAL 118 HA VAL 118 7.514 4.495 2.011 833 HB VAL 118 HB VAL 118 7.449 7.514 1.840 834 1HG1 VAL 118 1HG1 VAL 118 8.916 6.242 3.661 835 2HG1 VAL 118 2HG1 VAL 118 9.987 5.986 2.262 836 3HG1 VAL 118 3HG1 VAL 118 9.548 7.639 2.757 837 1HG2 VAL 118 1HG2 VAL 118 8.189 7.321 -0.256 838 2HG2 VAL 118 2HG2 VAL 118 9.471 6.191 0.243 839 3HG2 VAL 118 3HG2 VAL 118 7.850 5.576 -0.161 840 H VAL 119 HN VAL 119 8.068 4.238 4.200 841 HA VAL 119 HA VAL 119 6.056 5.325 6.039 842 HB VAL 119 HB VAL 119 6.600 3.413 7.455 843 1HG1 VAL 119 1HG1 VAL 119 4.916 3.377 5.452 844 2HG1 VAL 119 2HG1 VAL 119 6.084 2.244 4.731 845 3HG1 VAL 119 3HG1 VAL 119 5.322 1.863 6.294 846 1HG2 VAL 119 1HG2 VAL 119 8.866 3.181 5.655 847 2HG2 VAL 119 2HG2 VAL 119 8.589 2.420 7.240 848 3HG2 VAL 119 3HG2 VAL 119 7.970 1.647 5.760 849 H HIS 120 HN HIS 120 6.825 5.960 8.215 850 HA HIS 120 HA HIS 120 9.514 7.082 7.994 851 1HB HIS 120 2HB HIS 120 7.219 7.916 9.790 852 2HB HIS 120 3HB HIS 120 8.778 8.709 9.674 853 HD1 HIS 120 HD1 HIS 120 6.256 10.336 9.083 854 HD2 HIS 120 HD2 HIS 120 8.415 8.275 6.135 855 HE1 HIS 120 HE1 HIS 120 5.695 11.466 6.865 856 H GLU 121 HN GLU 121 10.999 6.890 9.768 857 HA GLU 121 HA GLU 121 10.982 4.406 10.951 858 1HB GLU 121 2HB GLU 121 12.832 6.384 10.608 859 2HB GLU 121 3HB GLU 121 12.511 6.582 12.319 860 1HG GLU 121 2HG GLU 121 12.781 3.743 11.623 861 2HG GLU 121 3HG GLU 121 14.196 4.648 11.123 862 H LYS 122 HN LYS 122 9.484 7.445 11.912 863 HA LYS 122 HA LYS 122 8.392 6.085 14.241 864 1HB LYS 122 2HB LYS 122 10.357 8.236 14.361 865 2HB LYS 122 3HB LYS 122 8.864 8.682 15.161 866 1HG LYS 122 2HG LYS 122 9.870 5.908 15.702 867 2HG LYS 122 3HG LYS 122 10.830 7.217 16.363 868 1HD LYS 122 2HD LYS 122 8.626 8.173 17.320 869 2HD LYS 122 3HD LYS 122 7.878 6.652 16.875 870 1HE LYS 122 2HE LYS 122 9.968 5.613 18.203 871 2HE LYS 122 3HE LYS 122 9.986 7.188 18.972 872 1HZ LYS 122 1HZ LYS 122 7.703 5.343 18.862 873 2HZ LYS 122 2HZ LYS 122 8.584 5.727 20.182 874 3HZ LYS 122 3HZ LYS 122 7.630 6.853 19.482 875 H ALA 123 HN ALA 123 6.531 7.499 15.184 876 HA ALA 123 HA ALA 123 4.820 8.102 12.991 877 1HB ALA 123 1HB ALA 123 4.464 7.187 15.530 878 2HB ALA 123 2HB ALA 123 4.061 8.906 15.754 879 3HB ALA 123 3HB ALA 123 3.171 7.931 14.559 880 H ASP 124 HN ASP 124 4.357 10.056 12.063 881 HA ASP 124 HA ASP 124 6.041 12.180 12.491 882 1HB ASP 124 2HB ASP 124 4.279 13.486 11.181 883 2HB ASP 124 3HB ASP 124 4.862 12.026 10.408 884 H ASP 125 HN ASP 125 3.317 11.033 14.301 885 HA ASP 125 HA ASP 125 2.247 11.760 16.040 886 1HB ASP 125 2HB ASP 125 4.681 13.483 16.048 887 2HB ASP 125 3HB ASP 125 3.335 14.136 16.961 888 H LEU 126 HN LEU 126 1.817 12.868 13.197 889 HA LEU 126 HA LEU 126 0.545 14.329 12.139 890 1HB LEU 126 2HB LEU 126 -0.688 14.418 14.878 891 2HB LEU 126 3HB LEU 126 -1.313 15.403 13.570 892 HG LEU 126 HG LEU 126 -0.961 12.503 12.996 893 1HD1 LEU 126 1HD1 LEU 126 -3.459 13.241 14.453 894 2HD1 LEU 126 2HD1 LEU 126 -2.627 11.673 14.312 895 3HD1 LEU 126 3HD1 LEU 126 -1.988 12.925 15.405 896 1HD2 LEU 126 1HD2 LEU 126 -3.528 13.712 12.381 897 2HD2 LEU 126 2HD2 LEU 126 -2.175 14.683 11.753 898 3HD2 LEU 126 3HD2 LEU 126 -2.324 12.967 11.302 899 H GLY 127 HN GLY 127 3.096 15.151 13.732 900 1HA GLY 127 1HA GLY 127 4.272 17.122 13.334 901 2HA GLY 127 2HA GLY 127 2.769 18.012 13.189 902 H LYS 128 HN LYS 128 5.408 17.872 15.071 903 HA LYS 128 HA LYS 128 3.998 17.952 17.622 904 1HB LYS 128 2HB LYS 128 6.978 18.073 17.084 905 2HB LYS 128 3HB LYS 128 6.192 17.835 18.632 906 1HG LYS 128 2HG LYS 128 5.974 15.605 18.264 907 2HG LYS 128 3HG LYS 128 5.187 15.877 16.722 908 1HD LYS 128 2HD LYS 128 7.092 15.430 15.551 909 2HD LYS 128 3HD LYS 128 8.061 16.476 16.570 910 1HE LYS 128 2HE LYS 128 7.203 13.991 17.942 911 2HE LYS 128 3HE LYS 128 8.188 13.688 16.525 912 1HZ LYS 128 1HZ LYS 128 9.717 15.422 17.477 913 2HZ LYS 128 2HZ LYS 128 8.881 15.290 18.873 914 3HZ LYS 128 3HZ LYS 128 9.665 13.993 18.266 915 H GLY 129 HN GLY 129 5.578 19.977 15.182 916 1HA GLY 129 1HA GLY 129 4.720 22.274 15.164 917 2HA GLY 129 2HA GLY 129 5.024 22.332 16.889 918 H GLY 130 HN GLY 130 7.454 20.407 15.546 919 1HA GLY 130 1HA GLY 130 9.525 22.176 16.103 920 2HA GLY 130 2HA GLY 130 9.635 20.731 15.119 921 H ASN 131 HN ASN 131 11.174 21.863 13.722 922 HA ASN 131 HA ASN 131 9.763 23.298 11.678 923 1HB ASN 131 2HB ASN 131 12.189 24.480 13.130 924 2HB ASN 131 3HB ASN 131 11.539 25.120 11.634 925 1HD2 ASN 131 1HD2 ASN 131 11.525 25.377 14.917 926 2HD2 ASN 131 2HD2 ASN 131 10.038 26.225 15.182 927 H GLU 132 HN GLU 132 10.580 22.564 9.692 928 HA GLU 132 HA GLU 132 12.016 21.849 8.194 929 1HB GLU 132 2HB GLU 132 13.789 23.075 9.770 930 2HB GLU 132 3HB GLU 132 14.277 21.435 10.149 931 1HG GLU 132 2HG GLU 132 14.275 21.096 7.524 932 2HG GLU 132 3HG GLU 132 14.331 22.847 7.465 933 H GLN 133 HN GLN 133 10.883 20.310 10.919 934 HA GLN 133 HA GLN 133 11.821 17.733 9.921 935 1HB GLN 133 2HB GLN 133 11.891 18.850 12.603 936 2HB GLN 133 3HB GLN 133 10.880 17.418 12.596 937 1HG GLN 133 2HG GLN 133 13.095 16.612 13.006 938 2HG GLN 133 3HG GLN 133 12.773 16.223 11.328 939 1HE2 GLN 133 1HE2 GLN 133 14.468 16.514 10.116 940 2HE2 GLN 133 2HE2 GLN 133 15.617 17.808 10.199 941 H SER 134 HN SER 134 9.135 19.429 11.684 942 HA SER 134 HA SER 134 7.331 17.335 11.003 943 1HB SER 134 2HB SER 134 5.802 18.418 12.409 944 2HB SER 134 3HB SER 134 7.336 18.892 13.111 945 HG SER 134 HG SER 134 6.062 20.762 12.907 946 H THR 135 HN THR 135 8.204 20.604 9.847 947 HA THR 135 HA THR 135 5.970 21.038 8.207 948 HB THR 135 HB THR 135 8.143 22.482 9.047 949 HG1 THR 135 1HG THR 135 6.734 23.874 8.063 950 1HG2 THR 135 1HG2 THR 135 9.399 23.129 6.986 951 2HG2 THR 135 2HG2 THR 135 9.700 21.423 7.397 952 3HG2 THR 135 3HG2 THR 135 8.574 21.837 6.082 953 H LYS 136 HN LYS 136 8.444 18.672 7.998 954 HA LYS 136 HA LYS 136 7.847 18.348 5.139 955 1HB LYS 136 2HB LYS 136 10.365 18.065 6.712 956 2HB LYS 136 3HB LYS 136 10.092 16.906 5.427 957 1HG LYS 136 2HG LYS 136 9.505 18.986 3.944 958 2HG LYS 136 3HG LYS 136 10.261 19.934 5.210 959 1HD LYS 136 2HD LYS 136 12.386 18.793 4.924 960 2HD LYS 136 3HD LYS 136 11.666 17.568 3.898 961 1HE LYS 136 2HE LYS 136 10.981 19.718 2.420 962 2HE LYS 136 3HE LYS 136 12.355 20.430 3.243 963 1HZ LYS 136 1HZ LYS 136 13.228 17.985 2.484 964 2HZ LYS 136 2HZ LYS 136 12.323 18.465 1.212 965 3HZ LYS 136 3HZ LYS 136 13.561 19.396 1.730 966 H THR 137 HN THR 137 8.602 16.582 8.218 967 HA THR 137 HA THR 137 6.766 14.482 7.270 968 HB THR 137 HB THR 137 8.330 12.894 8.493 969 HG1 THR 137 1HG THR 137 10.412 13.940 9.049 970 1HG2 THR 137 1HG2 THR 137 10.052 14.508 6.589 971 2HG2 THR 137 2HG2 THR 137 9.930 12.741 6.760 972 3HG2 THR 137 3HG2 THR 137 8.631 13.648 5.949 973 H GLY 138 HN GLY 138 8.398 14.444 10.402 974 1HA GLY 138 1HA GLY 138 6.359 15.808 11.843 975 2HA GLY 138 2HA GLY 138 6.084 14.078 11.866 976 H ASN 139 HN ASN 139 9.305 15.675 11.674 977 HA ASN 139 HA ASN 139 11.094 15.356 12.886 978 1HB ASN 139 2HB ASN 139 9.403 16.977 14.265 979 2HB ASN 139 3HB ASN 139 9.527 15.688 15.446 980 1HD2 ASN 139 1HD2 ASN 139 10.506 18.492 15.388 981 2HD2 ASN 139 2HD2 ASN 139 12.202 18.427 15.735 982 H ALA 140 HN ALA 140 9.466 12.902 12.388 983 HA ALA 140 HA ALA 140 9.723 11.404 14.870 984 1HB ALA 140 1HB ALA 140 8.024 10.174 14.040 985 2HB ALA 140 2HB ALA 140 7.884 11.412 12.769 986 3HB ALA 140 3HB ALA 140 8.852 9.947 12.481 987 H GLY 141 HN GLY 141 10.673 11.012 11.377 988 1HA GLY 141 1HA GLY 141 13.342 10.216 12.179 989 2HA GLY 141 2HA GLY 141 12.363 8.930 11.503 990 H SER 142 HN SER 142 12.248 8.716 9.294 991 HA SER 142 HA SER 142 12.543 11.045 7.666 992 1HB SER 142 2HB SER 142 14.903 9.878 8.307 993 2HB SER 142 3HB SER 142 14.465 8.851 6.957 994 HG SER 142 HG SER 142 15.720 10.720 6.295 995 H ARG 143 HN ARG 143 13.183 9.527 5.231 996 HA ARG 143 HA ARG 143 10.624 8.233 4.971 997 1HB ARG 143 2HB ARG 143 12.697 9.287 3.012 998 2HB ARG 143 3HB ARG 143 11.439 8.203 2.452 999 1HG ARG 143 2HG ARG 143 10.522 10.370 2.109 1000 2HG ARG 143 3HG ARG 143 9.749 9.813 3.580 1001 1HD ARG 143 2HD ARG 143 10.596 12.181 3.749 1002 2HD ARG 143 3HD ARG 143 11.277 11.124 4.970 1003 HE ARG 143 HE ARG 143 12.894 11.288 2.525 1004 1HH1 ARG 143 2HH2 ARG 143 12.266 12.707 5.683 1005 2HH1 ARG 143 1HH2 ARG 143 13.832 13.437 5.808 1006 1HH2 ARG 143 2HH1 ARG 143 14.960 12.251 2.689 1007 2HH2 ARG 143 1HH1 ARG 143 15.374 13.176 4.093 1008 H LEU 144 HN LEU 144 10.416 6.007 4.876 1009 HA LEU 144 HA LEU 144 12.768 4.468 4.079 1010 1HB LEU 144 2HB LEU 144 11.144 3.970 6.578 1011 2HB LEU 144 3HB LEU 144 12.363 2.891 5.929 1012 HG LEU 144 HG LEU 144 12.994 5.736 6.732 1013 1HD1 LEU 144 1HD1 LEU 144 12.179 4.860 8.745 1014 2HD1 LEU 144 2HD1 LEU 144 12.883 3.254 8.441 1015 3HD1 LEU 144 3HD1 LEU 144 13.942 4.629 8.838 1016 1HD2 LEU 144 1HD2 LEU 144 14.684 4.859 5.331 1017 2HD2 LEU 144 2HD2 LEU 144 15.300 4.720 6.995 1018 3HD2 LEU 144 3HD2 LEU 144 14.664 3.283 6.159 1019 H ALA 145 HN ALA 145 12.233 2.313 3.269 1020 HA ALA 145 HA ALA 145 10.972 0.825 2.209 1021 1HB ALA 145 1HB ALA 145 9.020 0.293 3.206 1022 2HB ALA 145 2HB ALA 145 9.307 1.687 4.274 1023 3HB ALA 145 3HB ALA 145 8.302 1.874 2.817 1024 H CYS 146 HN CYS 146 9.534 0.647 0.248 1025 HA CYS 146 HA CYS 146 8.824 3.143 -0.981 1026 1HB CYS 146 2HB CYS 146 10.159 2.618 -3.052 1027 2HB CYS 146 3HB CYS 146 11.053 3.234 -1.677 1028 H GLY 147 HN GLY 147 6.889 1.597 -0.303 1029 1HA GLY 147 1HA GLY 147 6.472 -0.731 -1.919 1030 2HA GLY 147 2HA GLY 147 5.330 0.045 -0.839 1031 H VAL 148 HN VAL 148 7.085 0.860 -3.927 1032 HA VAL 148 HA VAL 148 4.981 2.537 -4.815 1033 HB VAL 148 HB VAL 148 7.548 1.462 -5.875 1034 1HG1 VAL 148 1HG1 VAL 148 6.023 1.072 -7.750 1035 2HG1 VAL 148 2HG1 VAL 148 5.439 2.750 -7.642 1036 3HG1 VAL 148 3HG1 VAL 148 7.127 2.423 -8.104 1037 1HG2 VAL 148 1HG2 VAL 148 6.631 4.285 -6.209 1038 2HG2 VAL 148 2HG2 VAL 148 6.967 3.711 -4.558 1039 3HG2 VAL 148 3HG2 VAL 148 8.239 3.641 -5.801 1040 H ILE 149 HN ILE 149 3.275 2.131 -6.219 1041 HA ILE 149 HA ILE 149 2.418 -0.574 -6.348 1042 HB ILE 149 HB ILE 149 1.349 2.025 -7.432 1043 1HG1 ILE 149 2HG1 ILE 149 -0.505 1.158 -5.708 1044 2HG1 ILE 149 3HG1 ILE 149 0.881 0.349 -5.005 1045 1HG2 ILE 149 1HG2 ILE 149 0.753 -0.588 -8.390 1046 2HG2 ILE 149 2HG2 ILE 149 -0.647 -0.013 -7.452 1047 3HG2 ILE 149 3HG2 ILE 149 -0.023 0.959 -8.806 1048 1HD1 ILE 149 1HD1 ILE 149 1.687 2.291 -4.154 1049 2HD1 ILE 149 2HD1 ILE 149 1.551 3.107 -5.730 1050 3HD1 ILE 149 3HD1 ILE 149 0.148 3.044 -4.637 1051 H GLY 150 HN GLY 150 2.885 -2.087 -7.850 1052 1HA GLY 150 1HA GLY 150 3.652 -1.169 -10.541 1053 2HA GLY 150 2HA GLY 150 4.717 -2.238 -9.650 1054 H ILE 151 HN ILE 151 2.207 -2.132 -11.899 1055 HA ILE 151 HA ILE 151 0.438 -4.068 -11.325 1056 HB ILE 151 HB ILE 151 1.851 -3.370 -13.882 1057 1HG1 ILE 151 2HG1 ILE 151 0.334 -1.706 -12.864 1058 2HG1 ILE 151 3HG1 ILE 151 -0.214 -2.260 -14.433 1059 1HG2 ILE 151 1HG2 ILE 151 1.295 -5.468 -14.554 1060 2HG2 ILE 151 2HG2 ILE 151 -0.012 -5.632 -13.357 1061 3HG2 ILE 151 3HG2 ILE 151 -0.273 -4.673 -14.833 1062 1HD1 ILE 151 1HD1 ILE 151 -1.675 -3.975 -13.176 1063 2HD1 ILE 151 2HD1 ILE 151 -1.286 -3.060 -11.700 1064 3HD1 ILE 151 3HD1 ILE 151 -2.158 -2.268 -13.033 1065 H ALA 152 HN ALA 152 0.300 -6.345 -11.401 1066 HA ALA 152 HA ALA 152 2.784 -7.786 -11.874 1067 1HB ALA 152 1HB ALA 152 2.774 -7.197 -9.457 1068 2HB ALA 152 2HB ALA 152 1.191 -7.994 -9.286 1069 3HB ALA 152 3HB ALA 152 2.628 -8.951 -9.722 1070 H GLN 153 HN GLN 153 2.205 -10.297 -11.553 1071 HA GLN 153 HA GLN 153 -0.362 -10.614 -12.899 1072 1HB GLN 153 2HB GLN 153 0.596 -12.635 -13.944 1073 2HB GLN 153 3HB GLN 153 1.584 -11.230 -14.290 1074 1HG GLN 153 2HG GLN 153 2.486 -12.437 -11.803 1075 2HG GLN 153 3HG GLN 153 2.393 -13.674 -13.041 1076 1HE2 GLN 153 1HE2 GLN 153 4.229 -13.983 -14.020 1077 2HE2 GLN 153 2HE2 GLN 153 5.402 -12.790 -14.468 Start of MODEL 27 1 1H ALA 1 HN ALA 1 -9.470 -7.145 -10.609 2 HA ALA 1 HA ALA 1 -8.324 -8.798 -11.540 3 1HB ALA 1 1HB ALA 1 -8.700 -7.212 -14.113 4 2HB ALA 1 2HB ALA 1 -8.071 -8.875 -14.020 5 3HB ALA 1 3HB ALA 1 -9.741 -8.526 -13.513 6 H THR 2 HN THR 2 -7.377 -5.436 -11.977 7 HA THR 2 HA THR 2 -4.622 -6.117 -12.552 8 HB THR 2 HB THR 2 -4.879 -3.366 -11.943 9 HG1 THR 2 1HG THR 2 -6.941 -2.931 -13.020 10 1HG2 THR 2 1HG2 THR 2 -4.526 -3.037 -14.242 11 2HG2 THR 2 2HG2 THR 2 -3.977 -4.723 -14.086 12 3HG2 THR 2 3HG2 THR 2 -5.611 -4.373 -14.699 13 H LYS 3 HN LYS 3 -4.064 -7.426 -10.740 14 HA LYS 3 HA LYS 3 -4.222 -6.168 -8.141 15 1HB LYS 3 2HB LYS 3 -4.740 -8.567 -8.440 16 2HB LYS 3 3HB LYS 3 -3.102 -8.857 -8.990 17 1HG LYS 3 2HG LYS 3 -2.848 -7.411 -6.544 18 2HG LYS 3 3HG LYS 3 -4.102 -8.602 -6.260 19 1HD LYS 3 2HD LYS 3 -1.433 -9.329 -7.543 20 2HD LYS 3 3HD LYS 3 -1.669 -9.347 -5.807 21 1HE LYS 3 2HE LYS 3 -2.728 -11.355 -5.903 22 2HE LYS 3 3HE LYS 3 -3.871 -10.757 -7.088 23 1HZ LYS 3 1HZ LYS 3 -1.193 -11.323 -8.019 24 2HZ LYS 3 2HZ LYS 3 -2.135 -12.605 -7.651 25 3HZ LYS 3 3HZ LYS 3 -2.624 -11.530 -8.779 26 H ALA 4 HN ALA 4 -2.803 -4.528 -7.792 27 HA ALA 4 HA ALA 4 -0.192 -4.638 -9.020 28 1HB ALA 4 1HB ALA 4 -2.002 -2.639 -8.049 29 2HB ALA 4 2HB ALA 4 -0.475 -2.486 -7.147 30 3HB ALA 4 3HB ALA 4 -0.470 -2.413 -8.926 31 H VAL 5 HN VAL 5 1.806 -4.333 -7.693 32 HA VAL 5 HA VAL 5 1.511 -5.474 -5.008 33 HB VAL 5 HB VAL 5 3.826 -6.249 -6.727 34 1HG1 VAL 5 1HG1 VAL 5 4.190 -7.161 -4.675 35 2HG1 VAL 5 2HG1 VAL 5 2.459 -7.199 -4.261 36 3HG1 VAL 5 3HG1 VAL 5 3.147 -8.449 -5.326 37 1HG2 VAL 5 1HG2 VAL 5 1.840 -6.660 -8.146 38 2HG2 VAL 5 2HG2 VAL 5 2.634 -8.169 -7.638 39 3HG2 VAL 5 3HG2 VAL 5 1.131 -7.644 -6.843 40 H ALA 6 HN ALA 6 2.999 -4.685 -3.464 41 HA ALA 6 HA ALA 6 5.045 -2.852 -4.364 42 1HB ALA 6 1HB ALA 6 2.568 -1.783 -3.909 43 2HB ALA 6 2HB ALA 6 3.283 -1.681 -2.282 44 3HB ALA 6 3HB ALA 6 4.097 -0.906 -3.663 45 H VAL 7 HN VAL 7 6.490 -4.401 -3.461 46 HA VAL 7 HA VAL 7 6.119 -5.167 -0.709 47 HB VAL 7 HB VAL 7 8.034 -6.542 -1.051 48 1HG1 VAL 7 1HG1 VAL 7 5.727 -6.913 -2.351 49 2HG1 VAL 7 2HG1 VAL 7 6.806 -6.793 -3.761 50 3HG1 VAL 7 3HG1 VAL 7 7.104 -8.030 -2.516 51 1HG2 VAL 7 1HG2 VAL 7 9.112 -6.394 -3.464 52 2HG2 VAL 7 2HG2 VAL 7 8.565 -4.703 -3.358 53 3HG2 VAL 7 3HG2 VAL 7 9.682 -5.356 -2.135 54 H LEU 8 HN LEU 8 6.335 -3.441 0.685 55 HA LEU 8 HA LEU 8 7.925 -1.250 0.350 56 1HB LEU 8 2HB LEU 8 6.880 -2.690 2.765 57 2HB LEU 8 3HB LEU 8 7.924 -1.294 2.953 58 HG LEU 8 HG LEU 8 5.480 -0.805 3.095 59 1HD1 LEU 8 1HD1 LEU 8 7.452 0.567 1.407 60 2HD1 LEU 8 2HD1 LEU 8 5.763 1.001 1.050 61 3HD1 LEU 8 3HD1 LEU 8 6.402 1.195 2.700 62 1HD2 LEU 8 1HD2 LEU 8 4.560 -2.315 1.494 63 2HD2 LEU 8 2HD2 LEU 8 4.223 -0.661 0.929 64 3HD2 LEU 8 3HD2 LEU 8 5.528 -1.609 0.178 65 H LYS 9 HN LYS 9 10.059 -0.667 0.807 66 HA LYS 9 HA LYS 9 11.844 -2.261 2.221 67 1HB LYS 9 2HB LYS 9 11.569 -3.889 0.423 68 2HB LYS 9 3HB LYS 9 11.964 -2.677 -0.780 69 1HG LYS 9 2HG LYS 9 14.167 -2.391 0.744 70 2HG LYS 9 3HG LYS 9 13.772 -4.031 1.217 71 1HD LYS 9 2HD LYS 9 13.998 -4.866 -1.004 72 2HD LYS 9 3HD LYS 9 13.832 -3.275 -1.721 73 1HE LYS 9 2HE LYS 9 16.041 -2.629 -1.131 74 2HE LYS 9 3HE LYS 9 16.162 -3.833 0.137 75 1HZ LYS 9 1HZ LYS 9 17.221 -4.177 -2.215 76 2HZ LYS 9 2HZ LYS 9 16.654 -5.437 -1.343 77 3HZ LYS 9 3HZ LYS 9 15.753 -4.810 -2.552 78 H GLY 10 HN GLY 10 13.762 -1.121 2.583 79 1HA GLY 10 1HA GLY 10 14.890 0.791 0.932 80 2HA GLY 10 2HA GLY 10 13.710 1.639 1.911 81 H ASP 11 HN ASP 11 13.791 1.117 4.377 82 HA ASP 11 HA ASP 11 16.313 1.794 5.267 83 1HB ASP 11 2HB ASP 11 14.213 2.263 6.505 84 2HB ASP 11 3HB ASP 11 13.958 0.548 6.761 85 H GLY 12 HN GLY 12 14.390 -1.274 5.760 86 1HA GLY 12 1HA GLY 12 16.120 -3.177 5.033 87 2HA GLY 12 2HA GLY 12 16.775 -2.710 6.590 88 HA PRO 13 HA PRO 13 13.544 -4.775 8.657 89 1HB PRO 13 2HB PRO 13 12.458 -3.057 10.483 90 2HB PRO 13 3HB PRO 13 13.994 -3.865 10.723 91 1HG PRO 13 2HG PRO 13 13.477 -1.043 10.013 92 2HG PRO 13 3HG PRO 13 14.937 -1.761 10.664 93 1HD PRO 13 2HD PRO 13 14.476 -0.976 7.944 94 2HD PRO 13 3HD PRO 13 15.890 -1.799 8.572 95 H VAL 14 HN VAL 14 12.451 -1.760 7.328 96 HA VAL 14 HA VAL 14 9.704 -2.549 7.424 97 HB VAL 14 HB VAL 14 11.315 -0.256 6.418 98 1HG1 VAL 14 1HG1 VAL 14 10.081 -0.364 4.471 99 2HG1 VAL 14 2HG1 VAL 14 8.682 -1.122 5.268 100 3HG1 VAL 14 3HG1 VAL 14 9.002 0.614 5.494 101 1HG2 VAL 14 1HG2 VAL 14 8.718 0.254 7.668 102 2HG2 VAL 14 2HG2 VAL 14 9.776 -0.770 8.668 103 3HG2 VAL 14 3HG2 VAL 14 10.342 0.827 8.122 104 H GLN 15 HN GLN 15 9.389 -4.503 6.350 105 HA GLN 15 HA GLN 15 10.040 -4.386 3.508 106 1HB GLN 15 2HB GLN 15 11.427 -6.047 4.829 107 2HB GLN 15 3HB GLN 15 9.950 -6.903 5.227 108 1HG GLN 15 2HG GLN 15 9.680 -6.687 2.493 109 2HG GLN 15 3HG GLN 15 11.425 -6.768 2.634 110 1HE2 GLN 15 1HE2 GLN 15 8.739 -8.226 4.465 111 2HE2 GLN 15 2HE2 GLN 15 9.229 -9.879 4.297 112 H GLY 16 HN GLY 16 7.630 -3.353 4.685 113 1HA GLY 16 1HA GLY 16 5.481 -5.054 4.889 114 2HA GLY 16 2HA GLY 16 5.414 -3.405 4.299 115 H ILE 17 HN ILE 17 3.628 -5.278 3.275 116 HA ILE 17 HA ILE 17 4.529 -5.375 0.513 117 HB ILE 17 HB ILE 17 3.593 -7.766 2.092 118 1HG1 ILE 17 2HG1 ILE 17 6.009 -7.559 0.297 119 2HG1 ILE 17 3HG1 ILE 17 6.072 -7.038 1.969 120 1HG2 ILE 17 1HG2 ILE 17 3.386 -7.177 -0.820 121 2HG2 ILE 17 2HG2 ILE 17 3.915 -8.808 -0.341 122 3HG2 ILE 17 3HG2 ILE 17 2.353 -8.175 0.232 123 1HD1 ILE 17 1HD1 ILE 17 5.444 -9.252 2.768 124 2HD1 ILE 17 2HD1 ILE 17 5.109 -9.803 1.109 125 3HD1 ILE 17 3HD1 ILE 17 6.780 -9.442 1.607 126 H ILE 18 HN ILE 18 3.066 -4.123 -0.510 127 HA ILE 18 HA ILE 18 0.304 -4.253 0.467 128 HB ILE 18 HB ILE 18 0.130 -2.063 0.158 129 1HG1 ILE 18 2HG1 ILE 18 1.475 -0.953 -1.861 130 2HG1 ILE 18 3HG1 ILE 18 1.479 -2.602 -2.455 131 1HG2 ILE 18 1HG2 ILE 18 2.021 -0.867 0.742 132 2HG2 ILE 18 2HG2 ILE 18 2.444 -2.516 1.260 133 3HG2 ILE 18 3HG2 ILE 18 3.097 -1.867 -0.263 134 1HD1 ILE 18 1HD1 ILE 18 -0.649 -0.728 -2.604 135 2HD1 ILE 18 2HD1 ILE 18 -0.694 -2.446 -3.068 136 3HD1 ILE 18 3HD1 ILE 18 -1.164 -1.956 -1.422 137 H ASN 19 HN ASN 19 -1.417 -4.087 -1.252 138 HA ASN 19 HA ASN 19 -0.557 -4.990 -3.837 139 1HB ASN 19 2HB ASN 19 -2.792 -6.635 -2.723 140 2HB ASN 19 3HB ASN 19 -1.477 -7.122 -3.775 141 1HD2 ASN 19 1HD2 ASN 19 0.501 -7.727 -2.934 142 2HD2 ASN 19 2HD2 ASN 19 0.743 -8.138 -1.269 143 H PHE 20 HN PHE 20 -1.815 -3.786 -5.269 144 HA PHE 20 HA PHE 20 -4.359 -2.761 -4.251 145 1HB PHE 20 2HB PHE 20 -2.190 -1.931 -6.196 146 2HB PHE 20 3HB PHE 20 -3.818 -1.426 -6.602 147 HD1 PHE 20 1HD PHE 20 -2.734 -1.740 -3.111 148 HD2 PHE 20 2HD PHE 20 -3.317 0.921 -6.366 149 HE1 PHE 20 1HE PHE 20 -2.517 0.215 -1.552 150 HE2 PHE 20 2HE PHE 20 -3.100 2.876 -4.806 151 HZ PHE 20 HZ PHE 20 -2.703 2.500 -2.418 152 H GLU 21 HN GLU 21 -6.038 -4.096 -4.795 153 HA GLU 21 HA GLU 21 -5.897 -5.395 -7.379 154 1HB GLU 21 2HB GLU 21 -6.409 -6.789 -5.394 155 2HB GLU 21 3HB GLU 21 -7.809 -5.797 -5.035 156 1HG GLU 21 2HG GLU 21 -9.060 -6.658 -6.805 157 2HG GLU 21 3HG GLU 21 -7.651 -6.954 -7.805 158 H GLN 22 HN GLN 22 -7.698 -5.279 -8.905 159 HA GLN 22 HA GLN 22 -9.547 -3.110 -8.363 160 1HB GLN 22 2HB GLN 22 -7.681 -2.139 -9.676 161 2HB GLN 22 3HB GLN 22 -7.880 -3.373 -10.905 162 1HG GLN 22 2HG GLN 22 -10.103 -2.551 -11.484 163 2HG GLN 22 3HG GLN 22 -10.127 -1.471 -10.104 164 1HE2 GLN 22 1HE2 GLN 22 -9.905 0.543 -10.671 165 2HE2 GLN 22 2HE2 GLN 22 -8.865 1.188 -11.896 166 H LYS 23 HN LYS 23 -10.707 -5.317 -7.944 167 HA LYS 23 HA LYS 23 -11.367 -6.822 -10.283 168 1HB LYS 23 2HB LYS 23 -11.860 -6.971 -7.371 169 2HB LYS 23 3HB LYS 23 -13.154 -7.605 -8.368 170 1HG LYS 23 2HG LYS 23 -11.232 -8.841 -9.680 171 2HG LYS 23 3HG LYS 23 -10.249 -8.487 -8.273 172 1HD LYS 23 2HD LYS 23 -11.443 -9.927 -6.890 173 2HD LYS 23 3HD LYS 23 -12.956 -9.669 -7.737 174 1HE LYS 23 2HE LYS 23 -12.203 -11.078 -9.617 175 2HE LYS 23 3HE LYS 23 -10.610 -11.240 -8.905 176 1HZ LYS 23 1HZ LYS 23 -13.133 -12.277 -7.828 177 2HZ LYS 23 2HZ LYS 23 -11.844 -13.137 -8.343 178 3HZ LYS 23 3HZ LYS 23 -11.744 -12.259 -6.969 179 H GLU 24 HN GLU 24 -11.900 -4.422 -11.199 180 HA GLU 24 HA GLU 24 -14.746 -4.468 -11.395 181 1HB GLU 24 2HB GLU 24 -13.496 -2.624 -9.578 182 2HB GLU 24 3HB GLU 24 -14.095 -1.694 -10.937 183 1HG GLU 24 2HG GLU 24 -16.179 -1.835 -10.060 184 2HG GLU 24 3HG GLU 24 -16.157 -3.560 -10.368 185 H SER 25 HN SER 25 -15.431 -2.548 -13.000 186 HA SER 25 HA SER 25 -13.848 -2.954 -15.283 187 1HB SER 25 2HB SER 25 -16.329 -1.373 -14.618 188 2HB SER 25 3HB SER 25 -15.506 -1.028 -16.126 189 HG SER 25 HG SER 25 -15.586 -3.561 -16.311 190 H ASN 26 HN ASN 26 -11.929 -2.000 -13.740 191 HA ASN 26 HA ASN 26 -10.370 -0.502 -13.578 192 1HB ASN 26 2HB ASN 26 -11.823 0.431 -16.021 193 2HB ASN 26 3HB ASN 26 -10.849 1.664 -15.245 194 1HD2 ASN 26 1HD2 ASN 26 -10.889 -1.353 -16.946 195 2HD2 ASN 26 2HD2 ASN 26 -9.190 -1.507 -17.246 196 H GLY 27 HN GLY 27 -12.905 -0.343 -12.006 197 1HA GLY 27 1HA GLY 27 -13.458 2.497 -11.694 198 2HA GLY 27 2HA GLY 27 -14.243 1.155 -10.885 199 HA PRO 28 HA PRO 28 -11.735 2.329 -7.502 200 1HB PRO 28 2HB PRO 28 -12.766 0.595 -5.659 201 2HB PRO 28 3HB PRO 28 -13.494 2.145 -6.028 202 1HG PRO 28 2HG PRO 28 -14.380 -0.557 -6.834 203 2HG PRO 28 3HG PRO 28 -15.293 0.939 -6.821 204 1HD PRO 28 2HD PRO 28 -14.172 -0.368 -9.115 205 2HD PRO 28 3HD PRO 28 -14.983 1.185 -9.086 206 H VAL 29 HN VAL 29 -10.153 1.428 -5.910 207 HA VAL 29 HA VAL 29 -9.097 -1.087 -6.994 208 HB VAL 29 HB VAL 29 -7.449 1.313 -6.183 209 1HG1 VAL 29 1HG1 VAL 29 -5.563 0.120 -7.000 210 2HG1 VAL 29 2HG1 VAL 29 -6.462 -1.023 -5.974 211 3HG1 VAL 29 3HG1 VAL 29 -6.583 -1.133 -7.746 212 1HG2 VAL 29 1HG2 VAL 29 -8.897 1.587 -8.290 213 2HG2 VAL 29 2HG2 VAL 29 -7.150 1.887 -8.446 214 3HG2 VAL 29 3HG2 VAL 29 -7.844 0.353 -9.022 215 H LYS 30 HN LYS 30 -9.447 -2.539 -5.385 216 HA LYS 30 HA LYS 30 -9.744 -1.806 -2.702 217 1HB LYS 30 2HB LYS 30 -9.747 -4.253 -4.311 218 2HB LYS 30 3HB LYS 30 -9.080 -4.502 -2.710 219 1HG LYS 30 2HG LYS 30 -11.219 -3.003 -2.001 220 2HG LYS 30 3HG LYS 30 -11.855 -3.646 -3.502 221 1HD LYS 30 2HD LYS 30 -12.185 -5.703 -2.587 222 2HD LYS 30 3HD LYS 30 -10.548 -5.765 -1.964 223 1HE LYS 30 2HE LYS 30 -11.314 -4.220 -0.064 224 2HE LYS 30 3HE LYS 30 -12.954 -4.428 -0.643 225 1HZ LYS 30 1HZ LYS 30 -11.911 -6.944 -0.477 226 2HZ LYS 30 2HZ LYS 30 -11.394 -6.196 0.880 227 3HZ LYS 30 3HZ LYS 30 -12.990 -6.266 0.544 228 H VAL 31 HN VAL 31 -8.070 -0.594 -1.839 229 HA VAL 31 HA VAL 31 -5.360 -1.525 -2.200 230 HB VAL 31 HB VAL 31 -6.666 0.840 -0.868 231 1HG1 VAL 31 1HG1 VAL 31 -4.015 -0.309 -0.338 232 2HG1 VAL 31 2HG1 VAL 31 -3.963 1.398 -0.842 233 3HG1 VAL 31 3HG1 VAL 31 -4.939 0.915 0.566 234 1HG2 VAL 31 1HG2 VAL 31 -4.954 0.411 -3.319 235 2HG2 VAL 31 2HG2 VAL 31 -6.552 1.183 -3.186 236 3HG2 VAL 31 3HG2 VAL 31 -5.108 2.013 -2.560 237 H TRP 32 HN TRP 32 -4.135 -2.635 -0.712 238 HA TRP 32 HA TRP 32 -4.824 -2.733 2.031 239 1HB TRP 32 2HB TRP 32 -5.993 -4.608 2.280 240 2HB TRP 32 3HB TRP 32 -6.456 -4.352 0.609 241 HD1 TRP 32 HD1 TRP 32 -3.773 -6.380 2.590 242 HE1 TRP 32 HE1 TRP 32 -3.140 -8.590 1.295 243 HE3 TRP 32 HE3 TRP 32 -6.604 -5.407 -1.521 244 HZ2 TRP 32 HZ2 TRP 32 -3.877 -9.660 -1.246 245 HZ3 TRP 32 HZ3 TRP 32 -6.591 -7.086 -3.363 246 HH2 TRP 32 HH2 TRP 32 -5.289 -9.153 -3.273 247 H GLY 33 HN GLY 33 -3.239 -4.233 3.183 248 1HA GLY 33 1HA GLY 33 -1.159 -5.552 1.885 249 2HA GLY 33 2HA GLY 33 -0.645 -3.892 2.112 250 H SER 34 HN SER 34 1.006 -5.163 3.512 251 HA SER 34 HA SER 34 0.123 -4.870 6.210 252 1HB SER 34 2HB SER 34 -0.367 -7.322 5.393 253 2HB SER 34 3HB SER 34 1.368 -7.542 5.502 254 HG SER 34 HG SER 34 -0.310 -7.837 7.480 255 H ILE 35 HN ILE 35 1.768 -3.742 7.176 256 HA ILE 35 HA ILE 35 4.363 -3.761 5.915 257 HB ILE 35 HB ILE 35 2.811 -2.001 7.615 258 1HG1 ILE 35 2HG1 ILE 35 5.060 -0.692 6.522 259 2HG1 ILE 35 3HG1 ILE 35 4.609 -1.913 5.350 260 1HG2 ILE 35 1HG2 ILE 35 4.431 -2.826 9.321 261 2HG2 ILE 35 2HG2 ILE 35 5.754 -2.226 8.293 262 3HG2 ILE 35 3HG2 ILE 35 4.567 -1.086 8.972 263 1HD1 ILE 35 1HD1 ILE 35 3.428 0.513 5.426 264 2HD1 ILE 35 2HD1 ILE 35 2.551 -0.948 4.911 265 3HD1 ILE 35 3HD1 ILE 35 2.366 -0.338 6.573 266 H LYS 36 HN LYS 36 6.359 -3.901 7.388 267 HA LYS 36 HA LYS 36 6.029 -5.541 9.721 268 1HB LYS 36 2HB LYS 36 7.425 -6.712 7.296 269 2HB LYS 36 3HB LYS 36 7.340 -7.434 8.890 270 1HG LYS 36 2HG LYS 36 4.803 -7.414 8.697 271 2HG LYS 36 3HG LYS 36 4.976 -6.846 7.048 272 1HD LYS 36 2HD LYS 36 6.138 -8.876 6.377 273 2HD LYS 36 3HD LYS 36 6.308 -9.404 8.039 274 1HE LYS 36 2HE LYS 36 3.553 -9.055 7.828 275 2HE LYS 36 3HE LYS 36 3.969 -9.619 6.222 276 1HZ LYS 36 1HZ LYS 36 5.120 -11.007 8.496 277 2HZ LYS 36 2HZ LYS 36 3.547 -11.274 8.148 278 3HZ LYS 36 3HZ LYS 36 4.696 -11.592 7.031 279 H GLY 37 HN GLY 37 7.363 -4.568 11.139 280 1HA GLY 37 1HA GLY 37 9.870 -4.401 11.464 281 2HA GLY 37 2HA GLY 37 9.827 -3.340 10.070 282 H LEU 38 HN LEU 38 7.372 -1.943 10.544 283 HA LEU 38 HA LEU 38 8.228 0.105 12.165 284 1HB LEU 38 2HB LEU 38 5.655 -0.729 10.941 285 2HB LEU 38 3HB LEU 38 5.571 0.462 12.224 286 HG LEU 38 HG LEU 38 7.644 1.291 10.458 287 1HD1 LEU 38 1HD1 LEU 38 6.712 1.349 8.316 288 2HD1 LEU 38 2HD1 LEU 38 6.409 -0.313 8.879 289 3HD1 LEU 38 3HD1 LEU 38 5.095 0.889 8.901 290 1HD2 LEU 38 1HD2 LEU 38 6.510 3.301 10.454 291 2HD2 LEU 38 2HD2 LEU 38 4.908 2.525 10.489 292 3HD2 LEU 38 3HD2 LEU 38 5.917 2.551 11.956 293 H THR 39 HN THR 39 6.271 0.777 14.011 294 HA THR 39 HA THR 39 6.360 -1.458 15.925 295 HB THR 39 HB THR 39 6.885 0.302 17.664 296 HG1 THR 39 1HG THR 39 6.151 2.186 16.591 297 1HG2 THR 39 1HG2 THR 39 9.129 1.083 16.162 298 2HG2 THR 39 2HG2 THR 39 9.035 -0.357 17.204 299 3HG2 THR 39 3HG2 THR 39 8.691 -0.494 15.463 300 H GLU 40 HN GLU 40 4.647 -1.565 17.452 301 HA GLU 40 HA GLU 40 2.200 -1.005 16.379 302 1HB GLU 40 2HB GLU 40 2.465 -2.691 18.099 303 2HB GLU 40 3HB GLU 40 3.054 -1.514 19.257 304 1HG GLU 40 2HG GLU 40 0.359 -0.947 18.072 305 2HG GLU 40 3HG GLU 40 0.449 -2.337 19.136 306 H GLY 41 HN GLY 41 0.948 0.815 16.221 307 1HA GLY 41 1HA GLY 41 0.106 2.693 17.672 308 2HA GLY 41 2HA GLY 41 1.790 3.155 17.818 309 H LEU 42 HN LEU 42 0.434 5.161 16.836 310 HA LEU 42 HA LEU 42 -0.184 5.068 14.100 311 1HB LEU 42 2HB LEU 42 0.372 7.297 16.045 312 2HB LEU 42 3HB LEU 42 0.014 7.605 14.358 313 HG LEU 42 HG LEU 42 -2.074 5.988 14.990 314 1HD1 LEU 42 1HD1 LEU 42 -2.327 5.716 17.177 315 2HD1 LEU 42 2HD1 LEU 42 -0.945 6.784 17.519 316 3HD1 LEU 42 3HD1 LEU 42 -2.576 7.471 17.329 317 1HD2 LEU 42 1HD2 LEU 42 -3.263 7.783 14.399 318 2HD2 LEU 42 2HD2 LEU 42 -2.618 8.767 15.734 319 3HD2 LEU 42 3HD2 LEU 42 -1.695 8.606 14.221 320 H HIS 43 HN HIS 43 0.998 5.585 12.252 321 HA HIS 43 HA HIS 43 3.707 6.491 12.571 322 1HB HIS 43 2HB HIS 43 3.037 3.696 11.665 323 2HB HIS 43 3HB HIS 43 4.474 4.507 11.075 324 HD1 HIS 43 HD1 HIS 43 6.223 5.319 13.016 325 HD2 HIS 43 HD2 HIS 43 3.305 2.525 14.145 326 HE1 HIS 43 HE1 HIS 43 7.036 4.280 15.200 327 H GLY 44 HN GLY 44 4.740 6.543 10.189 328 1HA GLY 44 1HA GLY 44 2.723 7.883 8.550 329 2HA GLY 44 2HA GLY 44 4.465 7.993 8.399 330 H PHE 45 HN PHE 45 2.653 7.491 6.201 331 HA PHE 45 HA PHE 45 3.967 5.415 4.944 332 1HB PHE 45 2HB PHE 45 2.745 3.920 6.486 333 2HB PHE 45 3HB PHE 45 1.250 4.797 6.233 334 HD1 PHE 45 1HD PHE 45 3.693 2.567 4.567 335 HD2 PHE 45 2HD PHE 45 -0.223 4.200 4.491 336 HE1 PHE 45 1HE PHE 45 3.058 0.960 2.746 337 HE2 PHE 45 2HE PHE 45 -0.857 2.594 2.670 338 HZ PHE 45 HZ PHE 45 0.791 0.993 1.819 339 H HIS 46 HN HIS 46 3.963 7.093 3.340 340 HA HIS 46 HA HIS 46 1.615 6.996 1.698 341 1HB HIS 46 2HB HIS 46 2.050 9.734 1.725 342 2HB HIS 46 3HB HIS 46 0.685 8.881 2.416 343 HD1 HIS 46 HD1 HIS 46 4.164 10.087 3.470 344 HD2 HIS 46 HD2 HIS 46 0.420 9.184 5.131 345 HE1 HIS 46 HE1 HIS 46 4.292 10.758 5.928 346 H VAL 47 HN VAL 47 2.056 8.264 -0.421 347 HA VAL 47 HA VAL 47 4.667 7.494 -1.287 348 HB VAL 47 HB VAL 47 2.468 8.994 -2.724 349 1HG1 VAL 47 1HG1 VAL 47 5.026 7.678 -3.619 350 2HG1 VAL 47 2HG1 VAL 47 3.631 7.783 -4.720 351 3HG1 VAL 47 3HG1 VAL 47 4.356 9.268 -4.057 352 1HG2 VAL 47 1HG2 VAL 47 2.701 6.192 -1.895 353 2HG2 VAL 47 2HG2 VAL 47 1.292 7.097 -2.500 354 3HG2 VAL 47 3HG2 VAL 47 2.452 6.384 -3.647 355 H HIS 48 HN HIS 48 5.944 9.148 -2.721 356 HA HIS 48 HA HIS 48 5.749 11.844 -1.717 357 1HB HIS 48 2HB HIS 48 7.444 11.799 -0.288 358 2HB HIS 48 3HB HIS 48 7.443 10.051 -0.418 359 HD1 HIS 48 HD1 HIS 48 9.014 9.109 -2.530 360 HD2 HIS 48 HD2 HIS 48 9.805 12.952 -1.047 361 HE1 HIS 48 HE1 HIS 48 11.375 9.699 -3.297 362 H GLU 49 HN GLU 49 6.737 13.376 -3.125 363 HA GLU 49 HA GLU 49 7.107 12.318 -5.753 364 1HB GLU 49 2HB GLU 49 5.804 14.321 -5.618 365 2HB GLU 49 3HB GLU 49 6.974 15.119 -4.586 366 1HG GLU 49 2HG GLU 49 8.283 14.294 -7.049 367 2HG GLU 49 3HG GLU 49 6.827 15.184 -7.445 368 H GLU 50 HN GLU 50 9.029 14.474 -3.531 369 HA GLU 50 HA GLU 50 11.374 13.062 -3.932 370 1HB GLU 50 2HB GLU 50 10.827 14.530 -6.199 371 2HB GLU 50 3HB GLU 50 11.794 15.676 -5.292 372 1HG GLU 50 2HG GLU 50 13.261 13.366 -4.927 373 2HG GLU 50 3HG GLU 50 12.591 13.078 -6.521 374 H GLU 51 HN GLU 51 13.372 14.672 -3.267 375 HA GLU 51 HA GLU 51 12.648 16.886 -1.720 376 1HB GLU 51 2HB GLU 51 13.526 15.671 0.489 377 2HB GLU 51 3HB GLU 51 11.830 15.640 0.048 378 1HG GLU 51 2HG GLU 51 11.855 13.387 -0.282 379 2HG GLU 51 3HG GLU 51 13.290 13.472 -1.284 380 H ASP 52 HN ASP 52 15.050 14.247 -1.051 381 HA ASP 52 HA ASP 52 17.116 16.228 -1.457 382 1HB ASP 52 2HB ASP 52 16.735 14.150 0.403 383 2HB ASP 52 3HB ASP 52 17.967 13.513 -0.668 384 H ASN 53 HN ASN 53 19.275 15.072 -2.437 385 HA ASN 53 HA ASN 53 18.366 13.841 -4.897 386 1HB ASN 53 2HB ASN 53 21.095 15.028 -4.162 387 2HB ASN 53 3HB ASN 53 20.640 14.461 -5.756 388 1HD2 ASN 53 1HD2 ASN 53 20.297 16.071 -7.069 389 2HD2 ASN 53 2HD2 ASN 53 19.462 17.551 -6.730 390 H THR 54 HN THR 54 18.146 11.936 -3.046 391 HA THR 54 HA THR 54 20.718 10.503 -2.963 392 HB THR 54 HB THR 54 19.645 11.159 -0.761 393 HG1 THR 54 1HG THR 54 19.941 8.957 -0.013 394 1HG2 THR 54 1HG2 THR 54 17.558 9.056 -1.512 395 2HG2 THR 54 2HG2 THR 54 17.611 10.058 -0.041 396 3HG2 THR 54 3HG2 THR 54 17.225 10.802 -1.611 397 H ALA 55 HN ALA 55 17.191 10.193 -3.632 398 HA ALA 55 HA ALA 55 16.137 8.870 -5.072 399 1HB ALA 55 1HB ALA 55 18.569 7.414 -6.005 400 2HB ALA 55 2HB ALA 55 17.237 8.134 -6.941 401 3HB ALA 55 3HB ALA 55 18.533 9.169 -6.295 402 H GLY 56 HN GLY 56 14.908 7.345 -4.101 403 1HA GLY 56 1HA GLY 56 16.292 5.257 -2.544 404 2HA GLY 56 2HA GLY 56 14.652 5.822 -2.294 405 H CYS 57 HN CYS 57 13.571 5.834 -4.884 406 HA CYS 57 HA CYS 57 14.068 3.162 -5.917 407 1HB CYS 57 2HB CYS 57 11.437 4.143 -4.829 408 2HB CYS 57 3HB CYS 57 11.504 2.915 -6.078 409 H THR 58 HN THR 58 11.227 5.270 -6.514 410 HA THR 58 HA THR 58 12.491 6.285 -8.954 411 HB THR 58 HB THR 58 10.576 5.548 -10.289 412 HG1 THR 58 1HG THR 58 9.702 4.621 -7.642 413 1HG2 THR 58 1HG2 THR 58 12.250 3.720 -9.863 414 2HG2 THR 58 2HG2 THR 58 11.361 3.277 -8.386 415 3HG2 THR 58 3HG2 THR 58 10.593 3.079 -9.979 416 H SER 59 HN SER 59 9.761 7.292 -9.775 417 HA SER 59 HA SER 59 8.460 8.755 -8.018 418 1HB SER 59 2HB SER 59 11.195 9.893 -8.365 419 2HB SER 59 3HB SER 59 9.890 11.057 -8.473 420 HG SER 59 HG SER 59 10.966 10.114 -6.249 421 H ALA 60 HN ALA 60 6.919 8.512 -9.702 422 HA ALA 60 HA ALA 60 7.030 10.558 -11.711 423 1HB ALA 60 1HB ALA 60 8.356 8.490 -12.574 424 2HB ALA 60 2HB ALA 60 6.760 7.713 -12.705 425 3HB ALA 60 3HB ALA 60 7.107 9.195 -13.629 426 H GLY 61 HN GLY 61 5.205 11.185 -10.320 427 1HA GLY 61 1HA GLY 61 2.740 10.698 -11.324 428 2HA GLY 61 2HA GLY 61 2.935 9.412 -10.150 429 HA PRO 62 HA PRO 62 2.456 12.232 -6.854 430 1HB PRO 62 2HB PRO 62 4.603 12.033 -5.175 431 2HB PRO 62 3HB PRO 62 3.312 10.850 -5.223 432 1HG PRO 62 2HG PRO 62 6.055 10.644 -6.305 433 2HG PRO 62 3HG PRO 62 4.911 9.362 -5.964 434 1HD PRO 62 2HD PRO 62 5.573 10.430 -8.542 435 2HD PRO 62 3HD PRO 62 4.346 9.229 -8.188 436 H HIS 63 HN HIS 63 2.740 14.308 -5.860 437 HA HIS 63 HA HIS 63 5.037 15.761 -6.791 438 1HB HIS 63 2HB HIS 63 3.669 16.011 -8.737 439 2HB HIS 63 3HB HIS 63 2.249 16.385 -7.780 440 HD1 HIS 63 HD1 HIS 63 2.078 18.632 -9.204 441 HD2 HIS 63 HD2 HIS 63 5.441 18.326 -6.717 442 HE1 HIS 63 HE1 HIS 63 3.054 20.983 -9.030 443 H PHE 64 HN PHE 64 4.622 15.062 -4.229 444 HA PHE 64 HA PHE 64 4.178 17.598 -2.995 445 1HB PHE 64 2HB PHE 64 2.099 15.513 -3.161 446 2HB PHE 64 3HB PHE 64 2.556 15.758 -1.487 447 HD1 PHE 64 1HD PHE 64 2.470 18.147 -0.570 448 HD2 PHE 64 2HD PHE 64 0.641 17.005 -4.225 449 HE1 PHE 64 1HE PHE 64 0.991 20.172 -0.463 450 HE2 PHE 64 2HE PHE 64 -0.838 19.031 -4.118 451 HZ PHE 64 HZ PHE 64 -0.645 20.590 -2.238 452 H ASN 65 HN ASN 65 4.064 16.959 -0.349 453 HA ASN 65 HA ASN 65 6.586 15.638 -0.032 454 1HB ASN 65 2HB ASN 65 6.338 16.400 2.370 455 2HB ASN 65 3HB ASN 65 6.209 17.717 1.221 456 1HD2 ASN 65 1HD2 ASN 65 4.420 15.487 3.266 457 2HD2 ASN 65 2HD2 ASN 65 2.974 16.425 3.436 458 HA PRO 66 HA PRO 66 4.755 11.954 1.490 459 1HB PRO 66 2HB PRO 66 6.768 10.924 3.025 460 2HB PRO 66 3HB PRO 66 6.725 10.781 1.279 461 1HG PRO 66 2HG PRO 66 8.399 12.551 2.953 462 2HG PRO 66 3HG PRO 66 8.627 12.086 1.279 463 1HD PRO 66 2HD PRO 66 7.629 14.597 2.241 464 2HD PRO 66 3HD PRO 66 7.748 14.088 0.569 465 H LEU 67 HN LEU 67 3.411 13.821 2.652 466 HA LEU 67 HA LEU 67 2.982 12.710 5.241 467 1HB LEU 67 2HB LEU 67 4.969 14.423 5.363 468 2HB LEU 67 3HB LEU 67 3.688 15.617 5.299 469 HG LEU 67 HG LEU 67 4.298 15.217 7.591 470 1HD1 LEU 67 1HD1 LEU 67 1.923 15.653 7.089 471 2HD1 LEU 67 2HD1 LEU 67 1.627 13.898 7.036 472 3HD1 LEU 67 3HD1 LEU 67 2.144 14.668 8.556 473 1HD2 LEU 67 1HD2 LEU 67 3.989 12.987 8.651 474 2HD2 LEU 67 2HD2 LEU 67 3.734 12.295 7.031 475 3HD2 LEU 67 3HD2 LEU 67 5.298 13.037 7.446 476 H SER 68 HN SER 68 1.652 13.156 2.601 477 HA SER 68 HA SER 68 -0.230 13.862 1.768 478 1HB SER 68 2HB SER 68 -0.882 13.418 4.668 479 2HB SER 68 3HB SER 68 -2.108 14.190 3.682 480 HG SER 68 HG SER 68 -1.182 12.115 2.237 481 H ARG 69 HN ARG 69 1.588 15.948 1.995 482 HA ARG 69 HA ARG 69 1.548 18.107 1.648 483 1HB ARG 69 2HB ARG 69 -1.234 18.306 2.897 484 2HB ARG 69 3HB ARG 69 -0.461 19.489 1.860 485 1HG ARG 69 2HG ARG 69 -0.393 17.675 0.034 486 2HG ARG 69 3HG ARG 69 -1.414 16.701 1.072 487 1HD ARG 69 2HD ARG 69 -2.449 18.373 -0.774 488 2HD ARG 69 3HD ARG 69 -3.281 18.031 0.730 489 HE ARG 69 HE ARG 69 -1.904 20.538 0.014 490 1HH1 ARG 69 2HH2 ARG 69 -3.326 18.606 2.589 491 2HH1 ARG 69 1HH2 ARG 69 -3.551 19.956 3.651 492 1HH2 ARG 69 2HH1 ARG 69 -2.201 22.319 1.416 493 2HH2 ARG 69 1HH1 ARG 69 -2.907 22.082 2.979 494 H LYS 70 HN LYS 70 -0.093 17.074 4.712 495 HA LYS 70 HA LYS 70 0.736 17.296 6.807 496 1HB LYS 70 2HB LYS 70 2.766 18.185 7.269 497 2HB LYS 70 3HB LYS 70 2.961 18.062 5.532 498 1HG LYS 70 2HG LYS 70 1.740 20.505 5.673 499 2HG LYS 70 3HG LYS 70 2.544 20.496 7.230 500 1HD LYS 70 2HD LYS 70 4.691 20.440 6.288 501 2HD LYS 70 3HD LYS 70 4.150 19.641 4.825 502 1HE LYS 70 2HE LYS 70 2.757 22.036 4.683 503 2HE LYS 70 3HE LYS 70 4.237 22.545 5.471 504 1HZ LYS 70 1HZ LYS 70 3.845 21.611 2.803 505 2HZ LYS 70 2HZ LYS 70 5.015 22.577 3.407 506 3HZ LYS 70 3HZ LYS 70 5.148 20.954 3.536 507 H HIS 71 HN HIS 71 0.659 19.204 8.539 508 HA HIS 71 HA HIS 71 -0.539 20.780 9.483 509 1HB HIS 71 2HB HIS 71 -0.122 22.684 8.427 510 2HB HIS 71 3HB HIS 71 0.108 21.835 6.911 511 HD1 HIS 71 HD1 HIS 71 -1.556 22.326 5.095 512 HD2 HIS 71 HD2 HIS 71 -2.995 23.355 8.898 513 HE1 HIS 71 HE1 HIS 71 -3.791 23.499 4.720 514 H GLY 72 HN GLY 72 -2.231 19.601 10.347 515 1HA GLY 72 1HA GLY 72 -4.682 19.509 8.697 516 2HA GLY 72 2HA GLY 72 -4.149 18.134 9.644 517 H GLY 73 HN GLY 73 -5.062 17.920 11.637 518 1HA GLY 73 1HA GLY 73 -5.150 19.539 13.720 519 2HA GLY 73 2HA GLY 73 -6.455 20.222 12.771 520 HA PRO 74 HA PRO 74 -9.018 16.792 13.676 521 1HB PRO 74 2HB PRO 74 -9.741 15.495 11.382 522 2HB PRO 74 3HB PRO 74 -10.446 17.019 11.884 523 1HG PRO 74 2HG PRO 74 -8.461 16.506 9.754 524 2HG PRO 74 3HG PRO 74 -9.479 17.913 9.990 525 1HD PRO 74 2HD PRO 74 -6.682 17.699 10.589 526 2HD PRO 74 3HD PRO 74 -7.726 19.064 10.932 527 H LYS 75 HN LYS 75 -6.754 16.074 14.625 528 HA LYS 75 HA LYS 75 -5.452 14.373 15.162 529 1HB LYS 75 2HB LYS 75 -8.108 13.399 15.075 530 2HB LYS 75 3HB LYS 75 -7.107 12.139 14.381 531 1HG LYS 75 2HG LYS 75 -6.784 11.574 16.589 532 2HG LYS 75 3HG LYS 75 -5.527 12.792 16.492 533 1HD LYS 75 2HD LYS 75 -7.226 14.520 17.263 534 2HD LYS 75 3HD LYS 75 -8.383 13.223 17.488 535 1HE LYS 75 2HE LYS 75 -6.338 12.163 18.914 536 2HE LYS 75 3HE LYS 75 -5.899 13.852 19.071 537 1HZ LYS 75 1HZ LYS 75 -8.348 12.535 19.955 538 2HZ LYS 75 2HZ LYS 75 -7.329 13.482 20.810 539 3HZ LYS 75 3HZ LYS 75 -8.331 14.149 19.706 540 H ASP 76 HN ASP 76 -5.228 15.528 12.468 541 HA ASP 76 HA ASP 76 -3.911 15.193 10.763 542 1HB ASP 76 2HB ASP 76 -3.537 12.243 11.161 543 2HB ASP 76 3HB ASP 76 -2.358 13.456 10.705 544 H GLU 77 HN GLU 77 -5.606 15.423 9.202 545 HA GLU 77 HA GLU 77 -6.686 12.885 8.260 546 1HB GLU 77 2HB GLU 77 -8.292 14.524 9.574 547 2HB GLU 77 3HB GLU 77 -8.294 15.443 8.081 548 1HG GLU 77 2HG GLU 77 -9.923 14.042 7.344 549 2HG GLU 77 3HG GLU 77 -8.686 12.809 7.200 550 H GLU 78 HN GLU 78 -4.563 15.284 7.615 551 HA GLU 78 HA GLU 78 -5.197 16.422 5.262 552 1HB GLU 78 2HB GLU 78 -2.788 15.859 6.765 553 2HB GLU 78 3HB GLU 78 -2.454 15.615 5.062 554 1HG GLU 78 2HG GLU 78 -2.104 18.001 5.915 555 2HG GLU 78 3HG GLU 78 -3.116 17.854 4.492 556 H ARG 79 HN ARG 79 -3.888 15.814 3.060 557 HA ARG 79 HA ARG 79 -3.246 13.404 2.273 558 1HB ARG 79 2HB ARG 79 -5.487 12.494 1.266 559 2HB ARG 79 3HB ARG 79 -5.186 12.230 2.972 560 1HG ARG 79 2HG ARG 79 -6.781 13.798 3.651 561 2HG ARG 79 3HG ARG 79 -6.590 14.781 2.212 562 1HD ARG 79 2HD ARG 79 -7.578 12.133 1.474 563 2HD ARG 79 3HD ARG 79 -8.604 12.825 2.714 564 HE ARG 79 HE ARG 79 -7.919 14.668 0.518 565 1HH1 ARG 79 2HH2 ARG 79 -10.226 12.319 1.759 566 2HH1 ARG 79 1HH2 ARG 79 -11.534 12.895 0.781 567 1HH2 ARG 79 2HH1 ARG 79 -9.644 15.429 -0.773 568 2HH2 ARG 79 1HH1 ARG 79 -11.200 14.676 -0.669 569 H HIS 80 HN HIS 80 -3.401 13.110 -0.160 570 HA HIS 80 HA HIS 80 -4.759 14.717 -1.864 571 1HB HIS 80 2HB HIS 80 -2.889 16.296 -0.443 572 2HB HIS 80 3HB HIS 80 -2.228 16.095 -2.053 573 HD1 HIS 80 HD1 HIS 80 -5.714 16.900 -0.633 574 HD2 HIS 80 HD2 HIS 80 -3.105 18.070 -3.702 575 HE1 HIS 80 HE1 HIS 80 -6.889 18.784 -1.890 576 H VAL 81 HN VAL 81 -1.695 13.129 -0.980 577 HA VAL 81 HA VAL 81 -1.566 12.118 -3.736 578 HB VAL 81 HB VAL 81 0.608 13.032 -1.866 579 1HG1 VAL 81 1HG1 VAL 81 0.717 10.903 -3.946 580 2HG1 VAL 81 2HG1 VAL 81 2.048 12.086 -3.931 581 3HG1 VAL 81 3HG1 VAL 81 1.694 11.125 -2.475 582 1HG2 VAL 81 1HG2 VAL 81 -0.437 13.828 -4.550 583 2HG2 VAL 81 2HG2 VAL 81 0.138 14.833 -3.199 584 3HG2 VAL 81 3HG2 VAL 81 1.308 14.000 -4.250 585 H GLY 82 HN GLY 82 -0.190 11.417 -0.440 586 1HA GLY 82 1HA GLY 82 -0.251 8.599 -0.892 587 2HA GLY 82 2HA GLY 82 0.123 9.436 0.601 588 H ASP 83 HN ASP 83 -2.276 10.970 0.953 589 HA ASP 83 HA ASP 83 -4.378 10.851 1.541 590 1HB ASP 83 2HB ASP 83 -4.304 8.847 -0.421 591 2HB ASP 83 3HB ASP 83 -4.947 8.003 0.973 592 H LEU 84 HN LEU 84 -5.791 9.599 3.261 593 HA LEU 84 HA LEU 84 -6.001 8.544 5.192 594 1HB LEU 84 2HB LEU 84 -4.688 6.736 3.674 595 2HB LEU 84 3HB LEU 84 -3.527 6.937 4.971 596 HG LEU 84 HG LEU 84 -6.288 5.785 5.041 597 1HD1 LEU 84 1HD1 LEU 84 -4.871 4.028 5.074 598 2HD1 LEU 84 2HD1 LEU 84 -3.526 4.977 5.750 599 3HD1 LEU 84 3HD1 LEU 84 -4.822 4.385 6.817 600 1HD2 LEU 84 1HD2 LEU 84 -6.804 7.162 6.764 601 2HD2 LEU 84 2HD2 LEU 84 -5.857 5.966 7.681 602 3HD2 LEU 84 3HD2 LEU 84 -5.102 7.493 7.165 603 H GLY 85 HN GLY 85 -5.758 10.075 6.747 604 1HA GLY 85 1HA GLY 85 -3.713 11.756 7.229 605 2HA GLY 85 2HA GLY 85 -4.741 11.103 8.489 606 H ASN 86 HN ASN 86 -4.115 8.839 9.345 607 HA ASN 86 HA ASN 86 -1.288 8.337 9.052 608 1HB ASN 86 2HB ASN 86 -1.170 9.696 11.014 609 2HB ASN 86 3HB ASN 86 -2.701 9.106 11.630 610 1HD2 ASN 86 1HD2 ASN 86 -2.841 6.895 12.352 611 2HD2 ASN 86 2HD2 ASN 86 -1.463 6.108 13.047 612 H VAL 87 HN VAL 87 -0.741 6.095 9.756 613 HA VAL 87 HA VAL 87 -3.142 4.416 9.948 614 HB VAL 87 HB VAL 87 -1.970 2.735 8.806 615 1HG1 VAL 87 1HG1 VAL 87 -2.056 3.692 6.777 616 2HG1 VAL 87 2HG1 VAL 87 -2.424 5.202 7.644 617 3HG1 VAL 87 3HG1 VAL 87 -0.749 4.838 7.162 618 1HG2 VAL 87 1HG2 VAL 87 0.526 3.290 8.116 619 2HG2 VAL 87 2HG2 VAL 87 0.476 4.278 9.596 620 3HG2 VAL 87 3HG2 VAL 87 0.148 2.530 9.680 621 H THR 88 HN THR 88 -2.815 2.351 11.239 622 HA THR 88 HA THR 88 -0.970 2.839 13.482 623 HB THR 88 HB THR 88 -3.923 2.055 13.469 624 HG1 THR 88 1HG THR 88 -3.516 4.305 13.641 625 1HG2 THR 88 1HG2 THR 88 -3.113 2.312 16.126 626 2HG2 THR 88 2HG2 THR 88 -3.450 0.764 15.315 627 3HG2 THR 88 3HG2 THR 88 -1.781 1.373 15.411 628 H ALA 89 HN ALA 89 0.106 1.075 14.336 629 HA ALA 89 HA ALA 89 0.173 -1.202 12.557 630 1HB ALA 89 1HB ALA 89 1.978 -1.762 14.494 631 2HB ALA 89 2HB ALA 89 2.333 -0.692 13.117 632 3HB ALA 89 3HB ALA 89 1.876 0.004 14.690 633 H ASP 90 HN ASP 90 0.449 -3.442 13.780 634 HA ASP 90 HA ASP 90 -2.015 -3.776 15.159 635 1HB ASP 90 2HB ASP 90 -1.447 -5.519 13.628 636 2HB ASP 90 3HB ASP 90 0.204 -5.611 14.206 637 H LYS 91 HN LYS 91 0.848 -5.718 16.029 638 HA LYS 91 HA LYS 91 1.096 -4.318 18.575 639 1HB LYS 91 2HB LYS 91 0.851 -6.306 19.879 640 2HB LYS 91 3HB LYS 91 -0.574 -6.143 18.872 641 1HG LYS 91 2HG LYS 91 0.255 -7.815 17.295 642 2HG LYS 91 3HG LYS 91 1.823 -7.855 18.076 643 1HD LYS 91 2HD LYS 91 0.834 -8.801 20.127 644 2HD LYS 91 3HD LYS 91 -0.781 -8.635 19.468 645 1HE LYS 91 2HE LYS 91 -0.185 -10.225 17.621 646 2HE LYS 91 3HE LYS 91 1.424 -10.398 18.294 647 1HZ LYS 91 1HZ LYS 91 0.088 -12.155 19.081 648 2HZ LYS 91 2HZ LYS 91 0.339 -11.164 20.355 649 3HZ LYS 91 3HZ LYS 91 -1.101 -11.155 19.585 650 H ASP 92 HN ASP 92 2.538 -4.994 15.823 651 HA ASP 92 HA ASP 92 5.082 -5.251 17.108 652 1HB ASP 92 2HB ASP 92 3.830 -7.418 15.493 653 2HB ASP 92 3HB ASP 92 5.455 -7.001 14.986 654 H GLY 93 HN GLY 93 3.351 -3.329 15.465 655 1HA GLY 93 1HA GLY 93 4.048 -1.641 14.058 656 2HA GLY 93 2HA GLY 93 5.389 -2.625 13.505 657 H VAL 94 HN VAL 94 3.690 -5.052 13.022 658 HA VAL 94 HA VAL 94 3.236 -4.872 10.388 659 HB VAL 94 HB VAL 94 1.459 -6.381 12.311 660 1HG1 VAL 94 1HG1 VAL 94 1.160 -7.965 10.549 661 2HG1 VAL 94 2HG1 VAL 94 0.861 -6.354 9.854 662 3HG1 VAL 94 3HG1 VAL 94 2.405 -7.185 9.545 663 1HG2 VAL 94 1HG2 VAL 94 3.484 -8.106 11.503 664 2HG2 VAL 94 2HG2 VAL 94 4.337 -6.581 11.841 665 3HG2 VAL 94 3HG2 VAL 94 3.327 -7.333 13.099 666 H ALA 95 HN ALA 95 2.346 -3.041 9.475 667 HA ALA 95 HA ALA 95 -0.318 -2.283 10.445 668 1HB ALA 95 1HB ALA 95 1.186 -0.442 10.596 669 2HB ALA 95 2HB ALA 95 1.892 -0.787 8.999 670 3HB ALA 95 3HB ALA 95 0.232 -0.155 9.121 671 H ASP 96 HN ASP 96 -1.994 -3.039 9.261 672 HA ASP 96 HA ASP 96 -1.416 -3.663 6.478 673 1HB ASP 96 2HB ASP 96 -3.144 -5.301 6.577 674 2HB ASP 96 3HB ASP 96 -2.292 -5.463 8.100 675 H VAL 97 HN VAL 97 -3.095 -3.031 4.861 676 HA VAL 97 HA VAL 97 -4.836 -0.877 5.846 677 HB VAL 97 HB VAL 97 -3.404 -1.059 3.188 678 1HG1 VAL 97 1HG1 VAL 97 -5.494 0.129 2.960 679 2HG1 VAL 97 2HG1 VAL 97 -5.149 1.105 4.408 680 3HG1 VAL 97 3HG1 VAL 97 -4.161 1.309 2.941 681 1HG2 VAL 97 1HG2 VAL 97 -2.829 0.937 5.385 682 2HG2 VAL 97 2HG2 VAL 97 -1.982 -0.625 5.285 683 3HG2 VAL 97 3HG2 VAL 97 -1.855 0.543 3.948 684 H SER 98 HN SER 98 -6.796 -0.527 4.421 685 HA SER 98 HA SER 98 -7.532 -2.531 2.622 686 1HB SER 98 2HB SER 98 -9.461 -3.456 4.033 687 2HB SER 98 3HB SER 98 -7.858 -4.026 4.450 688 HG SER 98 HG SER 98 -9.614 -2.887 6.087 689 H ILE 99 HN ILE 99 -8.031 -0.589 1.425 690 HA ILE 99 HA ILE 99 -10.550 0.625 2.286 691 HB ILE 99 HB ILE 99 -8.125 2.134 1.300 692 1HG1 ILE 99 2HG1 ILE 99 -9.472 2.489 3.972 693 2HG1 ILE 99 3HG1 ILE 99 -8.243 1.260 3.748 694 1HG2 ILE 99 1HG2 ILE 99 -9.445 4.138 1.522 695 2HG2 ILE 99 2HG2 ILE 99 -10.277 3.007 0.427 696 3HG2 ILE 99 3HG2 ILE 99 -10.844 3.203 2.103 697 1HD1 ILE 99 1HD1 ILE 99 -7.904 4.116 4.094 698 2HD1 ILE 99 2HD1 ILE 99 -6.657 2.848 4.028 699 3HD1 ILE 99 3HD1 ILE 99 -7.215 3.626 2.528 700 H GLU 100 HN GLU 100 -11.835 1.480 0.493 701 HA GLU 100 HA GLU 100 -10.942 0.416 -2.069 702 1HB GLU 100 2HB GLU 100 -12.763 -0.963 -0.808 703 2HB GLU 100 3HB GLU 100 -13.851 0.354 -1.198 704 1HG GLU 100 2HG GLU 100 -12.775 -0.017 -3.662 705 2HG GLU 100 3HG GLU 100 -12.540 -1.635 -3.031 706 H ASP 101 HN ASP 101 -10.304 2.461 -2.864 707 HA ASP 101 HA ASP 101 -12.223 4.594 -2.671 708 1HB ASP 101 2HB ASP 101 -9.334 4.298 -3.341 709 2HB ASP 101 3HB ASP 101 -10.164 5.528 -4.273 710 H SER 102 HN SER 102 -13.122 5.639 -4.614 711 HA SER 102 HA SER 102 -12.815 4.017 -7.018 712 1HB SER 102 2HB SER 102 -15.261 4.708 -7.494 713 2HB SER 102 3HB SER 102 -14.997 3.471 -6.281 714 HG SER 102 HG SER 102 -16.445 5.557 -5.889 715 H VAL 103 HN VAL 103 -11.865 6.793 -5.698 716 HA VAL 103 HA VAL 103 -12.770 8.602 -7.777 717 HB VAL 103 HB VAL 103 -11.259 8.835 -5.197 718 1HG1 VAL 103 1HG1 VAL 103 -9.890 10.322 -6.250 719 2HG1 VAL 103 2HG1 VAL 103 -11.054 10.640 -7.559 720 3HG1 VAL 103 3HG1 VAL 103 -11.271 11.409 -5.969 721 1HG2 VAL 103 1HG2 VAL 103 -13.572 10.503 -6.203 722 2HG2 VAL 103 2HG2 VAL 103 -13.814 8.920 -5.426 723 3HG2 VAL 103 3HG2 VAL 103 -13.029 10.241 -4.528 724 H ILE 104 HN ILE 104 -9.657 7.264 -6.466 725 HA ILE 104 HA ILE 104 -8.145 8.335 -8.609 726 HB ILE 104 HB ILE 104 -6.341 6.959 -7.687 727 1HG1 ILE 104 2HG1 ILE 104 -6.795 5.680 -5.567 728 2HG1 ILE 104 3HG1 ILE 104 -8.510 5.843 -5.889 729 1HG2 ILE 104 1HG2 ILE 104 -7.374 8.010 -5.174 730 2HG2 ILE 104 2HG2 ILE 104 -5.980 8.530 -6.151 731 3HG2 ILE 104 3HG2 ILE 104 -7.608 9.140 -6.529 732 1HD1 ILE 104 1HD1 ILE 104 -6.768 4.798 -8.113 733 2HD1 ILE 104 2HD1 ILE 104 -7.132 3.715 -6.748 734 3HD1 ILE 104 3HD1 ILE 104 -8.457 4.402 -7.717 735 H SER 105 HN SER 105 -6.620 6.548 -9.806 736 HA SER 105 HA SER 105 -8.101 4.246 -10.572 737 1HB SER 105 2HB SER 105 -8.469 6.662 -12.077 738 2HB SER 105 3HB SER 105 -7.503 5.586 -13.066 739 HG SER 105 HG SER 105 -10.169 5.269 -12.110 740 H LEU 106 HN LEU 106 -6.795 2.913 -12.206 741 HA LEU 106 HA LEU 106 -4.004 3.190 -11.535 742 1HB LEU 106 2HB LEU 106 -5.784 1.089 -12.639 743 2HB LEU 106 3HB LEU 106 -4.103 1.032 -13.129 744 HG LEU 106 HG LEU 106 -3.524 1.134 -10.633 745 1HD1 LEU 106 1HD1 LEU 106 -5.090 1.027 -9.028 746 2HD1 LEU 106 2HD1 LEU 106 -6.168 1.677 -10.287 747 3HD1 LEU 106 3HD1 LEU 106 -6.130 -0.073 -9.964 748 1HD2 LEU 106 1HD2 LEU 106 -5.003 -1.339 -11.561 749 2HD2 LEU 106 2HD2 LEU 106 -3.376 -0.878 -12.117 750 3HD2 LEU 106 3HD2 LEU 106 -3.660 -1.239 -10.397 751 H SER 107 HN SER 107 -6.175 3.477 -14.380 752 HA SER 107 HA SER 107 -4.091 4.986 -15.656 753 1HB SER 107 2HB SER 107 -4.398 2.281 -16.323 754 2HB SER 107 3HB SER 107 -5.311 3.105 -17.571 755 HG SER 107 HG SER 107 -2.777 2.738 -17.692 756 H GLY 108 HN GLY 108 -5.145 6.868 -16.169 757 1HA GLY 108 1HA GLY 108 -7.280 7.027 -17.930 758 2HA GLY 108 2HA GLY 108 -7.972 7.040 -16.320 759 H ASP 109 HN ASP 109 -6.949 8.632 -14.697 760 HA ASP 109 HA ASP 109 -5.797 10.911 -16.060 761 1HB ASP 109 2HB ASP 109 -8.513 10.759 -15.091 762 2HB ASP 109 3HB ASP 109 -7.640 11.861 -14.045 763 H HIS 110 HN HIS 110 -6.949 9.401 -12.963 764 HA HIS 110 HA HIS 110 -4.791 10.766 -11.557 765 1HB HIS 110 2HB HIS 110 -7.417 9.574 -10.756 766 2HB HIS 110 3HB HIS 110 -6.126 9.606 -9.570 767 HD1 HIS 110 HD1 HIS 110 -8.183 11.971 -11.737 768 HD2 HIS 110 HD2 HIS 110 -5.683 12.065 -8.370 769 HE1 HIS 110 HE1 HIS 110 -8.371 14.326 -10.772 770 H SER 111 HN SER 111 -3.797 8.907 -13.298 771 HA SER 111 HA SER 111 -3.731 6.314 -12.589 772 1HB SER 111 2HB SER 111 -1.509 6.220 -13.677 773 2HB SER 111 3HB SER 111 -2.620 7.222 -14.590 774 HG SER 111 HG SER 111 -0.214 7.902 -13.458 775 H ILE 112 HN ILE 112 -3.225 5.272 -10.700 776 HA ILE 112 HA ILE 112 -1.592 6.708 -8.767 777 HB ILE 112 HB ILE 112 -2.414 5.097 -7.173 778 1HG1 ILE 112 2HG1 ILE 112 -4.370 3.581 -8.272 779 2HG1 ILE 112 3HG1 ILE 112 -3.243 3.620 -9.613 780 1HG2 ILE 112 1HG2 ILE 112 -3.781 7.060 -7.613 781 2HG2 ILE 112 2HG2 ILE 112 -4.620 6.206 -8.930 782 3HG2 ILE 112 3HG2 ILE 112 -4.807 5.652 -7.249 783 1HD1 ILE 112 1HD1 ILE 112 -2.743 1.703 -8.153 784 2HD1 ILE 112 2HD1 ILE 112 -1.405 2.875 -8.082 785 3HD1 ILE 112 3HD1 ILE 112 -2.583 2.787 -6.750 786 H ILE 113 HN ILE 113 -1.497 4.035 -11.057 787 HA ILE 113 HA ILE 113 0.323 2.334 -10.080 788 HB ILE 113 HB ILE 113 0.137 3.514 -12.850 789 1HG1 ILE 113 2HG1 ILE 113 -1.891 2.390 -12.023 790 2HG1 ILE 113 3HG1 ILE 113 -1.162 1.543 -13.373 791 1HG2 ILE 113 1HG2 ILE 113 1.986 1.478 -11.728 792 2HG2 ILE 113 2HG2 ILE 113 1.225 1.102 -13.293 793 3HG2 ILE 113 3HG2 ILE 113 2.186 2.588 -13.105 794 1HD1 ILE 113 1HD1 ILE 113 0.121 0.260 -11.357 795 2HD1 ILE 113 2HD1 ILE 113 -1.369 0.722 -10.499 796 3HD1 ILE 113 3HD1 ILE 113 -1.462 -0.269 -11.975 797 H GLY 114 HN GLY 114 2.016 2.832 -8.770 798 1HA GLY 114 1HA GLY 114 4.401 3.387 -9.041 799 2HA GLY 114 2HA GLY 114 3.888 4.902 -9.756 800 H ARG 115 HN ARG 115 2.303 3.261 -6.970 801 HA ARG 115 HA ARG 115 2.614 5.679 -5.488 802 1HB ARG 115 2HB ARG 115 1.241 3.014 -4.895 803 2HB ARG 115 3HB ARG 115 1.282 4.324 -3.731 804 1HG ARG 115 2HG ARG 115 0.430 5.219 -6.419 805 2HG ARG 115 3HG ARG 115 -0.624 3.986 -5.755 806 1HD ARG 115 2HD ARG 115 -1.353 5.339 -4.010 807 2HD ARG 115 3HD ARG 115 0.182 6.174 -3.867 808 HE ARG 115 HE ARG 115 -2.058 6.927 -5.591 809 1HH1 ARG 115 2HH2 ARG 115 1.420 7.196 -5.125 810 2HH1 ARG 115 1HH2 ARG 115 1.559 8.658 -6.042 811 1HH2 ARG 115 2HH1 ARG 115 -1.875 8.857 -6.801 812 2HH2 ARG 115 1HH1 ARG 115 -0.328 9.610 -7.002 813 H THR 116 HN THR 116 4.609 6.007 -4.524 814 HA THR 116 HA THR 116 6.067 3.695 -3.514 815 HB THR 116 HB THR 116 6.894 6.636 -3.564 816 HG1 THR 116 1HG THR 116 7.681 6.003 -5.727 817 1HG2 THR 116 1HG2 THR 116 8.930 4.765 -4.354 818 2HG2 THR 116 2HG2 THR 116 8.901 5.779 -2.891 819 3HG2 THR 116 3HG2 THR 116 8.202 4.143 -2.854 820 H LEU 117 HN LEU 117 4.114 3.449 -1.949 821 HA LEU 117 HA LEU 117 3.668 5.214 0.100 822 1HB LEU 117 2HB LEU 117 3.383 2.279 -0.286 823 2HB LEU 117 3HB LEU 117 3.262 2.891 1.352 824 HG LEU 117 HG LEU 117 1.059 2.712 0.439 825 1HD1 LEU 117 1HD1 LEU 117 1.466 5.664 0.212 826 2HD1 LEU 117 2HD1 LEU 117 0.232 4.738 1.100 827 3HD1 LEU 117 3HD1 LEU 117 1.888 4.857 1.741 828 1HD2 LEU 117 1HD2 LEU 117 2.264 4.057 -1.943 829 2HD2 LEU 117 2HD2 LEU 117 1.143 2.678 -1.846 830 3HD2 LEU 117 3HD2 LEU 117 0.543 4.333 -1.583 831 H VAL 118 HN VAL 118 5.202 6.232 1.287 832 HA VAL 118 HA VAL 118 7.407 4.561 2.277 833 HB VAL 118 HB VAL 118 7.233 7.510 1.646 834 1HG1 VAL 118 1HG1 VAL 118 8.801 6.255 3.661 835 2HG1 VAL 118 2HG1 VAL 118 9.896 6.683 2.325 836 3HG1 VAL 118 3HG1 VAL 118 8.883 7.936 3.082 837 1HG2 VAL 118 1HG2 VAL 118 8.019 5.228 0.126 838 2HG2 VAL 118 2HG2 VAL 118 8.093 6.946 -0.331 839 3HG2 VAL 118 3HG2 VAL 118 9.481 6.180 0.477 840 H VAL 119 HN VAL 119 7.720 4.382 4.474 841 HA VAL 119 HA VAL 119 5.632 5.581 6.112 842 HB VAL 119 HB VAL 119 6.242 3.947 7.748 843 1HG1 VAL 119 1HG1 VAL 119 6.397 1.912 5.809 844 2HG1 VAL 119 2HG1 VAL 119 4.932 2.571 6.575 845 3HG1 VAL 119 3HG1 VAL 119 5.512 3.247 5.034 846 1HG2 VAL 119 1HG2 VAL 119 8.131 2.243 6.754 847 2HG2 VAL 119 2HG2 VAL 119 8.752 3.814 6.194 848 3HG2 VAL 119 3HG2 VAL 119 8.455 3.542 7.927 849 H HIS 120 HN HIS 120 6.014 7.119 7.682 850 HA HIS 120 HA HIS 120 8.602 8.372 7.547 851 1HB HIS 120 2HB HIS 120 5.958 9.239 7.933 852 2HB HIS 120 3HB HIS 120 6.752 9.515 9.471 853 HD1 HIS 120 HD1 HIS 120 6.702 12.099 9.131 854 HD2 HIS 120 HD2 HIS 120 8.861 10.017 6.200 855 HE1 HIS 120 HE1 HIS 120 8.025 13.855 7.836 856 H GLU 121 HN GLU 121 10.011 8.708 9.355 857 HA GLU 121 HA GLU 121 10.668 6.664 10.831 858 1HB GLU 121 2HB GLU 121 11.057 9.529 11.015 859 2HB GLU 121 3HB GLU 121 10.926 8.874 12.635 860 1HG GLU 121 2HG GLU 121 12.681 7.471 10.600 861 2HG GLU 121 3HG GLU 121 13.276 8.910 11.405 862 H LYS 122 HN LYS 122 8.184 9.099 11.863 863 HA LYS 122 HA LYS 122 7.053 7.020 13.579 864 1HB LYS 122 2HB LYS 122 8.521 9.201 14.571 865 2HB LYS 122 3HB LYS 122 6.842 9.640 14.813 866 1HG LYS 122 2HG LYS 122 6.586 7.166 15.719 867 2HG LYS 122 3HG LYS 122 8.331 7.220 15.876 868 1HD LYS 122 2HD LYS 122 8.105 9.331 17.249 869 2HD LYS 122 3HD LYS 122 6.362 9.179 17.150 870 1HE LYS 122 2HE LYS 122 6.307 7.589 18.783 871 2HE LYS 122 3HE LYS 122 7.585 6.658 18.029 872 1HZ LYS 122 1HZ LYS 122 9.013 7.483 19.466 873 2HZ LYS 122 2HZ LYS 122 8.621 9.029 19.114 874 3HZ LYS 122 3HZ LYS 122 7.790 8.216 20.262 875 H ALA 123 HN ALA 123 4.971 8.722 14.620 876 HA ALA 123 HA ALA 123 3.324 8.797 12.250 877 1HB ALA 123 1HB ALA 123 1.880 9.709 14.494 878 2HB ALA 123 2HB ALA 123 1.869 8.069 13.802 879 3HB ALA 123 3HB ALA 123 2.995 8.471 15.121 880 H ASP 124 HN ASP 124 1.564 10.835 12.611 881 HA ASP 124 HA ASP 124 3.221 13.204 12.889 882 1HB ASP 124 2HB ASP 124 1.781 14.110 10.887 883 2HB ASP 124 3HB ASP 124 3.165 13.091 10.545 884 H ASP 125 HN ASP 125 2.023 13.296 15.007 885 HA ASP 125 HA ASP 125 -0.720 13.234 15.173 886 1HB ASP 125 2HB ASP 125 1.554 13.998 16.850 887 2HB ASP 125 3HB ASP 125 0.211 15.090 17.123 888 H LEU 126 HN LEU 126 1.580 15.729 14.135 889 HA LEU 126 HA LEU 126 1.345 17.769 13.327 890 1HB LEU 126 2HB LEU 126 -1.510 16.876 12.913 891 2HB LEU 126 3HB LEU 126 -0.849 18.374 12.288 892 HG LEU 126 HG LEU 126 0.741 16.006 11.569 893 1HD1 LEU 126 1HD1 LEU 126 -0.735 14.785 10.354 894 2HD1 LEU 126 2HD1 LEU 126 -1.855 15.375 11.606 895 3HD1 LEU 126 3HD1 LEU 126 -1.793 16.177 10.019 896 1HD2 LEU 126 1HD2 LEU 126 1.423 17.709 10.272 897 2HD2 LEU 126 2HD2 LEU 126 0.042 17.243 9.250 898 3HD2 LEU 126 3HD2 LEU 126 -0.123 18.579 10.413 899 H GLY 127 HN GLY 127 0.606 16.940 16.267 900 1HA GLY 127 1HA GLY 127 -0.556 19.569 16.975 901 2HA GLY 127 2HA GLY 127 -0.985 18.082 17.798 902 H LYS 128 HN LYS 128 0.849 16.815 18.853 903 HA LYS 128 HA LYS 128 2.298 16.898 20.555 904 1HB LYS 128 2HB LYS 128 3.550 17.041 18.095 905 2HB LYS 128 3HB LYS 128 4.351 18.311 18.998 906 1HG LYS 128 2HG LYS 128 4.169 16.201 20.853 907 2HG LYS 128 3HG LYS 128 4.515 15.387 19.340 908 1HD LYS 128 2HD LYS 128 6.392 17.162 19.007 909 2HD LYS 128 3HD LYS 128 6.150 17.569 20.694 910 1HE LYS 128 2HE LYS 128 6.354 14.661 20.335 911 2HE LYS 128 3HE LYS 128 7.757 15.475 19.672 912 1HZ LYS 128 1HZ LYS 128 7.075 15.095 22.355 913 2HZ LYS 128 2HZ LYS 128 8.458 15.699 21.730 914 3HZ LYS 128 3HZ LYS 128 7.211 16.697 22.067 915 H GLY 129 HN GLY 129 0.414 19.097 20.601 916 1HA GLY 129 1HA GLY 129 0.086 21.087 21.594 917 2HA GLY 129 2HA GLY 129 1.456 20.670 22.603 918 H GLY 130 HN GLY 130 1.267 21.352 19.042 919 1HA GLY 130 1HA GLY 130 2.372 23.952 19.221 920 2HA GLY 130 2HA GLY 130 3.645 22.787 18.915 921 H ASN 131 HN ASN 131 3.361 24.544 16.925 922 HA ASN 131 HA ASN 131 2.247 22.899 14.851 923 1HB ASN 131 2HB ASN 131 1.534 25.859 14.860 924 2HB ASN 131 3HB ASN 131 0.808 24.576 13.912 925 1HD2 ASN 131 1HD2 ASN 131 0.864 26.276 16.897 926 2HD2 ASN 131 2HD2 ASN 131 -0.475 25.504 17.677 927 H GLU 132 HN GLU 132 4.192 22.694 13.697 928 HA GLU 132 HA GLU 132 5.172 24.511 12.073 929 1HB GLU 132 2HB GLU 132 5.981 25.229 14.810 930 2HB GLU 132 3HB GLU 132 7.363 25.030 13.750 931 1HG GLU 132 2HG GLU 132 6.823 26.867 12.471 932 2HG GLU 132 3HG GLU 132 5.103 26.537 12.530 933 H GLN 133 HN GLN 133 5.753 21.919 14.376 934 HA GLN 133 HA GLN 133 7.930 20.975 12.684 935 1HB GLN 133 2HB GLN 133 7.541 21.041 15.568 936 2HB GLN 133 3HB GLN 133 7.774 19.386 15.042 937 1HG GLN 133 2HG GLN 133 9.959 19.745 14.416 938 2HG GLN 133 3HG GLN 133 9.622 21.334 13.760 939 1HE2 GLN 133 1HE2 GLN 133 10.892 22.730 14.714 940 2HE2 GLN 133 2HE2 GLN 133 11.172 22.901 16.414 941 H SER 134 HN SER 134 5.410 19.486 14.852 942 HA SER 134 HA SER 134 5.280 17.174 13.309 943 1HB SER 134 2HB SER 134 2.819 17.664 14.791 944 2HB SER 134 3HB SER 134 4.052 16.450 15.067 945 HG SER 134 HG SER 134 5.168 17.813 16.433 946 H THR 135 HN THR 135 3.359 20.219 13.394 947 HA THR 135 HA THR 135 1.378 19.310 11.571 948 HB THR 135 HB THR 135 1.554 21.336 13.367 949 HG1 THR 135 1HG THR 135 -0.316 22.123 12.104 950 1HG2 THR 135 1HG2 THR 135 3.209 22.643 11.987 951 2HG2 THR 135 2HG2 THR 135 2.059 22.618 10.629 952 3HG2 THR 135 3HG2 THR 135 1.648 23.485 12.128 953 H LYS 136 HN LYS 136 4.659 19.806 11.121 954 HA LYS 136 HA LYS 136 4.240 20.742 8.375 955 1HB LYS 136 2HB LYS 136 6.310 21.202 10.401 956 2HB LYS 136 3HB LYS 136 6.972 20.728 8.849 957 1HG LYS 136 2HG LYS 136 5.172 22.503 7.927 958 2HG LYS 136 3HG LYS 136 5.317 23.152 9.549 959 1HD LYS 136 2HD LYS 136 7.967 22.813 8.966 960 2HD LYS 136 3HD LYS 136 7.348 23.067 7.346 961 1HE LYS 136 2HE LYS 136 6.305 25.202 8.033 962 2HE LYS 136 3HE LYS 136 6.776 24.932 9.699 963 1HZ LYS 136 1HZ LYS 136 8.414 26.281 8.844 964 2HZ LYS 136 2HZ LYS 136 9.111 24.806 8.758 965 3HZ LYS 136 3HZ LYS 136 8.500 25.501 7.412 966 H THR 137 HN THR 137 6.019 18.285 10.364 967 HA THR 137 HA THR 137 5.884 16.521 8.008 968 HB THR 137 HB THR 137 8.123 15.709 8.628 969 HG1 THR 137 1HG THR 137 9.063 16.978 10.541 970 1HG2 THR 137 1HG2 THR 137 8.961 18.430 9.117 971 2HG2 THR 137 2HG2 THR 137 9.099 17.501 7.606 972 3HG2 THR 137 3HG2 THR 137 7.640 18.470 7.925 973 H GLY 138 HN GLY 138 5.659 16.934 11.541 974 1HA GLY 138 1HA GLY 138 3.904 15.655 12.604 975 2HA GLY 138 2HA GLY 138 4.377 14.270 11.640 976 H ASN 139 HN ASN 139 7.008 16.296 12.743 977 HA ASN 139 HA ASN 139 8.610 16.006 14.174 978 1HB ASN 139 2HB ASN 139 7.035 16.297 15.993 979 2HB ASN 139 3HB ASN 139 6.369 14.691 15.775 980 1HD2 ASN 139 1HD2 ASN 139 7.096 13.102 16.981 981 2HD2 ASN 139 2HD2 ASN 139 8.542 13.097 17.935 982 H ALA 140 HN ALA 140 9.374 14.448 12.357 983 HA ALA 140 HA ALA 140 10.348 12.077 13.500 984 1HB ALA 140 1HB ALA 140 7.743 11.931 12.133 985 2HB ALA 140 2HB ALA 140 8.959 10.819 11.459 986 3HB ALA 140 3HB ALA 140 8.547 10.744 13.189 987 H GLY 141 HN GLY 141 9.156 13.006 10.191 988 1HA GLY 141 1HA GLY 141 10.263 13.204 8.241 989 2HA GLY 141 2HA GLY 141 11.460 14.080 9.174 990 H SER 142 HN SER 142 10.779 11.209 7.371 991 HA SER 142 HA SER 142 13.409 10.447 7.287 992 1HB SER 142 2HB SER 142 12.572 9.742 9.747 993 2HB SER 142 3HB SER 142 11.960 8.346 8.883 994 HG SER 142 HG SER 142 13.954 7.591 9.060 995 H ARG 143 HN ARG 143 12.940 10.187 5.072 996 HA ARG 143 HA ARG 143 10.690 8.669 4.285 997 1HB ARG 143 2HB ARG 143 11.637 10.571 2.936 998 2HB ARG 143 3HB ARG 143 13.092 9.637 2.652 999 1HG ARG 143 2HG ARG 143 10.338 8.581 1.887 1000 2HG ARG 143 3HG ARG 143 11.268 9.597 0.803 1001 1HD ARG 143 2HD ARG 143 13.202 7.785 1.430 1002 2HD ARG 143 3HD ARG 143 11.795 6.770 1.678 1003 HE ARG 143 HE ARG 143 11.533 8.199 -0.812 1004 1HH1 ARG 143 2HH2 ARG 143 13.287 5.525 0.657 1005 2HH1 ARG 143 1HH2 ARG 143 13.524 4.690 -0.842 1006 1HH2 ARG 143 2HH1 ARG 143 11.846 7.097 -2.790 1007 2HH2 ARG 143 1HH1 ARG 143 12.699 5.590 -2.815 1008 H LEU 144 HN LEU 144 10.657 6.446 4.454 1009 HA LEU 144 HA LEU 144 12.984 4.999 3.484 1010 1HB LEU 144 2HB LEU 144 12.771 3.454 5.484 1011 2HB LEU 144 3HB LEU 144 13.584 4.990 5.714 1012 HG LEU 144 HG LEU 144 10.736 5.185 6.313 1013 1HD1 LEU 144 1HD1 LEU 144 11.075 2.785 6.873 1014 2HD1 LEU 144 2HD1 LEU 144 12.333 3.272 8.034 1015 3HD1 LEU 144 3HD1 LEU 144 10.650 3.797 8.274 1016 1HD2 LEU 144 1HD2 LEU 144 12.987 5.569 8.266 1017 2HD2 LEU 144 2HD2 LEU 144 12.752 6.706 6.917 1018 3HD2 LEU 144 3HD2 LEU 144 11.453 6.458 8.109 1019 H ALA 145 HN ALA 145 12.467 2.925 2.633 1020 HA ALA 145 HA ALA 145 11.155 1.279 1.891 1021 1HB ALA 145 1HB ALA 145 8.636 2.425 3.048 1022 2HB ALA 145 2HB ALA 145 9.185 0.734 2.961 1023 3HB ALA 145 3HB ALA 145 9.881 1.834 4.175 1024 H CYS 146 HN CYS 146 10.041 0.992 -0.080 1025 HA CYS 146 HA CYS 146 8.552 3.200 -1.145 1026 1HB CYS 146 2HB CYS 146 9.959 3.272 -3.239 1027 2HB CYS 146 3HB CYS 146 10.611 4.067 -1.820 1028 H GLY 147 HN GLY 147 7.365 0.941 -0.502 1029 1HA GLY 147 1HA GLY 147 7.507 -1.400 -1.751 1030 2HA GLY 147 2HA GLY 147 5.982 -0.580 -1.481 1031 H VAL 148 HN VAL 148 5.928 1.528 -3.233 1032 HA VAL 148 HA VAL 148 5.547 2.082 -5.337 1033 HB VAL 148 HB VAL 148 7.913 0.269 -5.638 1034 1HG1 VAL 148 1HG1 VAL 148 6.053 1.095 -7.789 1035 2HG1 VAL 148 2HG1 VAL 148 7.777 1.402 -8.108 1036 3HG1 VAL 148 3HG1 VAL 148 7.222 -0.247 -7.729 1037 1HG2 VAL 148 1HG2 VAL 148 9.077 2.171 -5.495 1038 2HG2 VAL 148 2HG2 VAL 148 8.088 2.949 -6.754 1039 3HG2 VAL 148 3HG2 VAL 148 7.554 2.982 -5.057 1040 H ILE 149 HN ILE 149 3.791 1.591 -6.567 1041 HA ILE 149 HA ILE 149 2.806 -1.121 -6.399 1042 HB ILE 149 HB ILE 149 1.654 1.472 -7.415 1043 1HG1 ILE 149 2HG1 ILE 149 1.890 1.126 -4.942 1044 2HG1 ILE 149 3HG1 ILE 149 0.251 1.400 -5.499 1045 1HG2 ILE 149 1HG2 ILE 149 0.926 -1.182 -8.192 1046 2HG2 ILE 149 2HG2 ILE 149 -0.367 -0.505 -7.173 1047 3HG2 ILE 149 3HG2 ILE 149 0.167 0.367 -8.630 1048 1HD1 ILE 149 1HD1 ILE 149 -0.439 -0.736 -4.975 1049 2HD1 ILE 149 2HD1 ILE 149 1.127 -1.460 -5.413 1050 3HD1 ILE 149 3HD1 ILE 149 0.931 -0.646 -3.842 1051 H GLY 150 HN GLY 150 2.958 -2.637 -7.979 1052 1HA GLY 150 1HA GLY 150 3.579 -1.727 -10.708 1053 2HA GLY 150 2HA GLY 150 4.642 -2.875 -9.918 1054 H ILE 151 HN ILE 151 1.917 -2.547 -11.909 1055 HA ILE 151 HA ILE 151 0.113 -4.405 -11.208 1056 HB ILE 151 HB ILE 151 1.280 -3.641 -13.861 1057 1HG1 ILE 151 2HG1 ILE 151 -0.111 -2.007 -12.681 1058 2HG1 ILE 151 3HG1 ILE 151 -0.867 -2.546 -14.167 1059 1HG2 ILE 151 1HG2 ILE 151 -0.588 -5.899 -13.282 1060 2HG2 ILE 151 2HG2 ILE 151 -0.887 -4.890 -14.717 1061 3HG2 ILE 151 3HG2 ILE 151 0.668 -5.737 -14.533 1062 1HD1 ILE 151 1HD1 ILE 151 -1.859 -2.744 -11.444 1063 2HD1 ILE 151 2HD1 ILE 151 -2.705 -3.101 -12.970 1064 3HD1 ILE 151 3HD1 ILE 151 -1.748 -4.368 -12.165 1065 H ALA 152 HN ALA 152 -0.121 -6.644 -11.179 1066 HA ALA 152 HA ALA 152 2.227 -8.198 -11.969 1067 1HB ALA 152 1HB ALA 152 0.839 -8.230 -9.263 1068 2HB ALA 152 2HB ALA 152 1.944 -9.509 -9.822 1069 3HB ALA 152 3HB ALA 152 2.543 -7.847 -9.604 1070 H GLN 153 HN GLN 153 1.642 -10.616 -12.019 1071 HA GLN 153 HA GLN 153 -1.195 -10.997 -12.439 1072 1HB GLN 153 2HB GLN 153 -0.823 -12.097 -14.623 1073 2HB GLN 153 3HB GLN 153 -0.314 -10.421 -14.667 1074 1HG GLN 153 2HG GLN 153 1.978 -11.854 -13.801 1075 2HG GLN 153 3HG GLN 153 1.279 -12.846 -15.066 1076 1HE2 GLN 153 1HE2 GLN 153 3.309 -12.265 -16.131 1077 2HE2 GLN 153 2HE2 GLN 153 3.395 -10.813 -17.072 Start of MODEL 28 1 1H ALA 1 HN ALA 1 -8.433 -6.951 -10.994 2 HA ALA 1 HA ALA 1 -8.828 -8.327 -13.282 3 1HB ALA 1 1HB ALA 1 -8.721 -5.801 -14.605 4 2HB ALA 1 2HB ALA 1 -9.997 -7.039 -14.701 5 3HB ALA 1 3HB ALA 1 -10.099 -5.750 -13.479 6 H THR 2 HN THR 2 -7.431 -5.048 -12.534 7 HA THR 2 HA THR 2 -4.811 -6.143 -13.286 8 HB THR 2 HB THR 2 -5.451 -3.205 -12.872 9 HG1 THR 2 1HG THR 2 -7.109 -3.826 -14.291 10 1HG2 THR 2 1HG2 THR 2 -3.607 -2.867 -14.217 11 2HG2 THR 2 2HG2 THR 2 -3.185 -4.536 -13.764 12 3HG2 THR 2 3HG2 THR 2 -4.039 -4.218 -15.293 13 H LYS 3 HN LYS 3 -4.028 -7.176 -11.499 14 HA LYS 3 HA LYS 3 -4.227 -5.786 -8.955 15 1HB LYS 3 2HB LYS 3 -4.769 -8.211 -9.149 16 2HB LYS 3 3HB LYS 3 -3.108 -8.529 -9.606 17 1HG LYS 3 2HG LYS 3 -2.699 -7.051 -7.328 18 2HG LYS 3 3HG LYS 3 -4.236 -7.795 -6.934 19 1HD LYS 3 2HD LYS 3 -2.107 -9.575 -8.103 20 2HD LYS 3 3HD LYS 3 -1.873 -9.022 -6.457 21 1HE LYS 3 2HE LYS 3 -3.225 -10.744 -5.830 22 2HE LYS 3 3HE LYS 3 -4.557 -9.786 -6.444 23 1HZ LYS 3 1HZ LYS 3 -3.023 -11.791 -7.943 24 2HZ LYS 3 2HZ LYS 3 -4.583 -11.900 -7.474 25 3HZ LYS 3 3HZ LYS 3 -4.148 -10.819 -8.618 26 H ALA 4 HN ALA 4 -2.475 -4.936 -7.822 27 HA ALA 4 HA ALA 4 0.064 -4.948 -9.307 28 1HB ALA 4 1HB ALA 4 -0.335 -2.610 -7.613 29 2HB ALA 4 2HB ALA 4 0.053 -2.698 -9.348 30 3HB ALA 4 3HB ALA 4 -1.643 -2.766 -8.811 31 H VAL 5 HN VAL 5 1.985 -4.505 -7.840 32 HA VAL 5 HA VAL 5 1.457 -5.452 -5.116 33 HB VAL 5 HB VAL 5 3.844 -6.371 -6.690 34 1HG1 VAL 5 1HG1 VAL 5 2.852 -6.735 -4.029 35 2HG1 VAL 5 2HG1 VAL 5 2.821 -8.307 -4.863 36 3HG1 VAL 5 3HG1 VAL 5 4.338 -7.380 -4.766 37 1HG2 VAL 5 1HG2 VAL 5 1.767 -6.957 -7.970 38 2HG2 VAL 5 2HG2 VAL 5 2.700 -8.363 -7.402 39 3HG2 VAL 5 3HG2 VAL 5 1.214 -7.878 -6.550 40 H ALA 6 HN ALA 6 3.037 -4.734 -3.536 41 HA ALA 6 HA ALA 6 5.072 -2.901 -4.411 42 1HB ALA 6 1HB ALA 6 3.894 -1.005 -4.175 43 2HB ALA 6 2HB ALA 6 2.442 -1.939 -3.739 44 3HB ALA 6 3HB ALA 6 3.584 -1.425 -2.474 45 H VAL 7 HN VAL 7 6.468 -4.418 -3.385 46 HA VAL 7 HA VAL 7 5.981 -4.970 -0.581 47 HB VAL 7 HB VAL 7 7.773 -6.532 -0.782 48 1HG1 VAL 7 1HG1 VAL 7 6.101 -6.626 -3.317 49 2HG1 VAL 7 2HG1 VAL 7 6.945 -7.996 -2.556 50 3HG1 VAL 7 3HG1 VAL 7 5.590 -7.207 -1.714 51 1HG2 VAL 7 1HG2 VAL 7 8.503 -4.893 -3.148 52 2HG2 VAL 7 2HG2 VAL 7 9.534 -5.756 -1.982 53 3HG2 VAL 7 3HG2 VAL 7 8.747 -6.649 -3.305 54 H LEU 8 HN LEU 8 6.574 -3.474 0.898 55 HA LEU 8 HA LEU 8 8.308 -1.360 0.292 56 1HB LEU 8 2HB LEU 8 7.884 -2.170 3.115 57 2HB LEU 8 3HB LEU 8 7.820 -0.585 2.370 58 HG LEU 8 HG LEU 8 5.686 -2.717 2.424 59 1HD1 LEU 8 1HD1 LEU 8 5.829 -1.184 4.339 60 2HD1 LEU 8 2HD1 LEU 8 5.660 0.203 3.236 61 3HD1 LEU 8 3HD1 LEU 8 4.325 -0.961 3.414 62 1HD2 LEU 8 1HD2 LEU 8 6.095 -0.561 0.415 63 2HD2 LEU 8 2HD2 LEU 8 5.314 -2.153 0.258 64 3HD2 LEU 8 3HD2 LEU 8 4.443 -0.806 1.031 65 H LYS 9 HN LYS 9 10.468 -1.379 0.022 66 HA LYS 9 HA LYS 9 12.066 -2.972 1.823 67 1HB LYS 9 2HB LYS 9 11.517 -4.550 -0.004 68 2HB LYS 9 3HB LYS 9 12.197 -3.434 -1.171 69 1HG LYS 9 2HG LYS 9 14.341 -4.032 -0.663 70 2HG LYS 9 3HG LYS 9 14.051 -3.933 1.063 71 1HD LYS 9 2HD LYS 9 12.585 -6.205 0.270 72 2HD LYS 9 3HD LYS 9 14.043 -6.294 -0.699 73 1HE LYS 9 2HE LYS 9 14.349 -5.637 2.229 74 2HE LYS 9 3HE LYS 9 13.940 -7.287 1.805 75 1HZ LYS 9 1HZ LYS 9 16.055 -7.565 1.329 76 2HZ LYS 9 2HZ LYS 9 15.930 -6.518 0.082 77 3HZ LYS 9 3HZ LYS 9 16.401 -5.985 1.552 78 H GLY 10 HN GLY 10 13.435 -1.471 2.613 79 1HA GLY 10 1HA GLY 10 15.127 0.006 0.836 80 2HA GLY 10 2HA GLY 10 13.915 1.023 1.590 81 H ASP 11 HN ASP 11 14.177 1.694 3.716 82 HA ASP 11 HA ASP 11 16.489 1.868 4.894 83 1HB ASP 11 2HB ASP 11 14.316 2.770 5.771 84 2HB ASP 11 3HB ASP 11 13.906 1.177 6.374 85 H GLY 12 HN GLY 12 14.212 -0.938 5.253 86 1HA GLY 12 1HA GLY 12 15.542 -3.102 5.181 87 2HA GLY 12 2HA GLY 12 16.352 -2.464 6.597 88 HA PRO 13 HA PRO 13 13.016 -3.658 9.114 89 1HB PRO 13 2HB PRO 13 12.544 -1.579 10.824 90 2HB PRO 13 3HB PRO 13 13.883 -2.693 11.016 91 1HG PRO 13 2HG PRO 13 13.920 0.097 10.041 92 2HG PRO 13 3HG PRO 13 15.250 -0.875 10.638 93 1HD PRO 13 2HD PRO 13 14.672 -0.253 7.898 94 2HD PRO 13 3HD PRO 13 15.932 -1.319 8.487 95 H VAL 14 HN VAL 14 12.095 -2.984 6.631 96 HA VAL 14 HA VAL 14 9.385 -2.352 7.351 97 HB VAL 14 HB VAL 14 10.921 -0.563 5.456 98 1HG1 VAL 14 1HG1 VAL 14 8.792 -0.583 4.554 99 2HG1 VAL 14 2HG1 VAL 14 8.007 -0.849 6.130 100 3HG1 VAL 14 3HG1 VAL 14 8.661 0.755 5.720 101 1HG2 VAL 14 1HG2 VAL 14 10.378 1.221 7.137 102 2HG2 VAL 14 2HG2 VAL 14 9.835 -0.062 8.245 103 3HG2 VAL 14 3HG2 VAL 14 11.533 -0.005 7.713 104 H GLN 15 HN GLN 15 9.981 -4.777 6.654 105 HA GLN 15 HA GLN 15 10.041 -4.990 3.783 106 1HB GLN 15 2HB GLN 15 11.447 -6.486 5.212 107 2HB GLN 15 3HB GLN 15 9.996 -7.157 5.931 108 1HG GLN 15 2HG GLN 15 9.355 -7.545 3.326 109 2HG GLN 15 3HG GLN 15 11.099 -7.545 3.159 110 1HE2 GLN 15 1HE2 GLN 15 8.370 -9.329 3.931 111 2HE2 GLN 15 2HE2 GLN 15 9.105 -10.741 4.614 112 H GLY 16 HN GLY 16 7.770 -3.679 4.276 113 1HA GLY 16 1HA GLY 16 5.547 -5.352 4.939 114 2HA GLY 16 2HA GLY 16 5.509 -3.727 4.284 115 H ILE 17 HN ILE 17 3.862 -6.077 3.509 116 HA ILE 17 HA ILE 17 4.662 -6.169 0.687 117 HB ILE 17 HB ILE 17 3.642 -8.417 2.419 118 1HG1 ILE 17 2HG1 ILE 17 6.128 -8.278 0.696 119 2HG1 ILE 17 3HG1 ILE 17 6.113 -7.852 2.396 120 1HG2 ILE 17 1HG2 ILE 17 2.491 -8.241 0.164 121 2HG2 ILE 17 2HG2 ILE 17 4.082 -8.561 -0.567 122 3HG2 ILE 17 3HG2 ILE 17 3.337 -9.769 0.508 123 1HD1 ILE 17 1HD1 ILE 17 6.677 -10.341 1.608 124 2HD1 ILE 17 2HD1 ILE 17 5.750 -10.046 3.099 125 3HD1 ILE 17 3HD1 ILE 17 4.903 -10.496 1.599 126 H ILE 18 HN ILE 18 3.286 -4.577 -0.062 127 HA ILE 18 HA ILE 18 0.444 -5.015 0.546 128 HB ILE 18 HB ILE 18 1.155 -2.965 1.515 129 1HG1 ILE 18 2HG1 ILE 18 -0.992 -3.159 -0.011 130 2HG1 ILE 18 3HG1 ILE 18 -0.532 -1.642 0.735 131 1HG2 ILE 18 1HG2 ILE 18 3.217 -2.536 0.396 132 2HG2 ILE 18 2HG2 ILE 18 2.400 -2.348 -1.174 133 3HG2 ILE 18 3HG2 ILE 18 2.150 -1.140 0.109 134 1HD1 ILE 18 1HD1 ILE 18 0.409 -2.415 -2.056 135 2HD1 ILE 18 2HD1 ILE 18 -1.114 -1.541 -1.765 136 3HD1 ILE 18 3HD1 ILE 18 0.438 -0.804 -1.299 137 H ASN 19 HN ASN 19 -1.068 -4.770 -1.213 138 HA ASN 19 HA ASN 19 0.181 -4.679 -3.826 139 1HB ASN 19 2HB ASN 19 -2.047 -6.640 -3.620 140 2HB ASN 19 3HB ASN 19 -0.520 -6.786 -4.467 141 1HD2 ASN 19 1HD2 ASN 19 -2.166 -8.422 -2.450 142 2HD2 ASN 19 2HD2 ASN 19 -1.011 -8.966 -1.279 143 H PHE 20 HN PHE 20 -1.738 -4.579 -5.568 144 HA PHE 20 HA PHE 20 -3.957 -3.065 -4.380 145 1HB PHE 20 2HB PHE 20 -2.118 -2.647 -6.775 146 2HB PHE 20 3HB PHE 20 -3.755 -2.031 -6.881 147 HD1 PHE 20 1HD PHE 20 -1.134 -2.063 -4.209 148 HD2 PHE 20 2HD PHE 20 -3.858 0.232 -6.515 149 HE1 PHE 20 1HE PHE 20 -0.435 0.007 -2.974 150 HE2 PHE 20 2HE PHE 20 -3.159 2.303 -5.280 151 HZ PHE 20 HZ PHE 20 -1.456 2.165 -3.524 152 H GLU 21 HN GLU 21 -6.036 -3.411 -5.252 153 HA GLU 21 HA GLU 21 -6.148 -5.431 -7.345 154 1HB GLU 21 2HB GLU 21 -6.550 -6.487 -5.106 155 2HB GLU 21 3HB GLU 21 -7.892 -5.392 -4.841 156 1HG GLU 21 2HG GLU 21 -9.290 -6.653 -6.116 157 2HG GLU 21 3HG GLU 21 -8.151 -6.694 -7.448 158 H GLN 22 HN GLN 22 -7.816 -5.144 -8.877 159 HA GLN 22 HA GLN 22 -9.812 -3.163 -8.325 160 1HB GLN 22 2HB GLN 22 -8.014 -1.734 -9.154 161 2HB GLN 22 3HB GLN 22 -7.742 -2.786 -10.529 162 1HG GLN 22 2HG GLN 22 -10.492 -2.183 -10.679 163 2HG GLN 22 3HG GLN 22 -9.760 -0.673 -10.171 164 1HE2 GLN 22 1HE2 GLN 22 -9.723 0.534 -11.927 165 2HE2 GLN 22 2HE2 GLN 22 -9.004 0.123 -13.449 166 H LYS 23 HN LYS 23 -11.301 -4.910 -8.553 167 HA LYS 23 HA LYS 23 -11.242 -6.393 -11.040 168 1HB LYS 23 2HB LYS 23 -12.256 -6.802 -8.356 169 2HB LYS 23 3HB LYS 23 -13.520 -7.087 -9.535 170 1HG LYS 23 2HG LYS 23 -10.931 -8.228 -10.380 171 2HG LYS 23 3HG LYS 23 -11.469 -8.876 -8.843 172 1HD LYS 23 2HD LYS 23 -13.289 -8.723 -11.287 173 2HD LYS 23 3HD LYS 23 -12.284 -10.118 -10.945 174 1HE LYS 23 2HE LYS 23 -13.400 -10.171 -8.606 175 2HE LYS 23 3HE LYS 23 -14.548 -9.005 -9.233 176 1HZ LYS 23 1HZ LYS 23 -14.786 -11.641 -9.483 177 2HZ LYS 23 2HZ LYS 23 -15.529 -10.560 -10.456 178 3HZ LYS 23 3HZ LYS 23 -14.135 -11.265 -10.933 179 H GLU 24 HN GLU 24 -11.556 -3.648 -11.495 180 HA GLU 24 HA GLU 24 -14.106 -3.723 -12.769 181 1HB GLU 24 2HB GLU 24 -13.654 -2.123 -10.317 182 2HB GLU 24 3HB GLU 24 -14.277 -1.181 -11.657 183 1HG GLU 24 2HG GLU 24 -15.520 -3.825 -10.777 184 2HG GLU 24 3HG GLU 24 -16.040 -2.275 -10.147 185 H SER 25 HN SER 25 -14.180 -2.338 -14.606 186 HA SER 25 HA SER 25 -11.584 -1.376 -15.353 187 1HB SER 25 2HB SER 25 -13.974 -2.320 -16.708 188 2HB SER 25 3HB SER 25 -13.519 -0.759 -17.362 189 HG SER 25 HG SER 25 -11.590 -2.878 -17.001 190 H ASN 26 HN ASN 26 -14.111 -0.147 -13.563 191 HA ASN 26 HA ASN 26 -13.196 2.502 -13.957 192 1HB ASN 26 2HB ASN 26 -15.308 1.765 -15.623 193 2HB ASN 26 3HB ASN 26 -16.164 2.430 -14.246 194 1HD2 ASN 26 1HD2 ASN 26 -14.205 3.050 -16.985 195 2HD2 ASN 26 2HD2 ASN 26 -14.123 4.777 -16.883 196 H GLY 27 HN GLY 27 -13.319 0.500 -11.817 197 1HA GLY 27 1HA GLY 27 -15.297 1.738 -9.996 198 2HA GLY 27 2HA GLY 27 -14.826 0.051 -9.941 199 HA PRO 28 HA PRO 28 -12.076 2.301 -7.103 200 1HB PRO 28 2HB PRO 28 -12.630 0.883 -4.834 201 2HB PRO 28 3HB PRO 28 -13.425 2.390 -5.240 202 1HG PRO 28 2HG PRO 28 -14.481 -0.366 -5.406 203 2HG PRO 28 3HG PRO 28 -15.363 1.148 -5.394 204 1HD PRO 28 2HD PRO 28 -14.831 -0.509 -7.674 205 2HD PRO 28 3HD PRO 28 -15.611 1.060 -7.677 206 H VAL 29 HN VAL 29 -10.306 1.388 -5.539 207 HA VAL 29 HA VAL 29 -9.413 -1.121 -6.780 208 HB VAL 29 HB VAL 29 -7.728 1.284 -6.052 209 1HG1 VAL 29 1HG1 VAL 29 -6.860 -1.246 -5.967 210 2HG1 VAL 29 2HG1 VAL 29 -6.687 -0.964 -7.716 211 3HG1 VAL 29 3HG1 VAL 29 -5.846 0.092 -6.557 212 1HG2 VAL 29 1HG2 VAL 29 -8.407 0.192 -8.803 213 2HG2 VAL 29 2HG2 VAL 29 -9.157 1.627 -8.063 214 3HG2 VAL 29 3HG2 VAL 29 -7.415 1.622 -8.430 215 H LYS 30 HN LYS 30 -9.785 -2.601 -5.182 216 HA LYS 30 HA LYS 30 -9.627 -1.905 -2.443 217 1HB LYS 30 2HB LYS 30 -9.981 -4.474 -3.979 218 2HB LYS 30 3HB LYS 30 -9.745 -4.495 -2.243 219 1HG LYS 30 2HG LYS 30 -11.702 -3.047 -1.899 220 2HG LYS 30 3HG LYS 30 -11.885 -2.812 -3.626 221 1HD LYS 30 2HD LYS 30 -12.517 -5.116 -3.979 222 2HD LYS 30 3HD LYS 30 -11.985 -5.588 -2.377 223 1HE LYS 30 2HE LYS 30 -13.814 -4.434 -1.310 224 2HE LYS 30 3HE LYS 30 -14.204 -3.539 -2.766 225 1HZ LYS 30 1HZ LYS 30 -15.380 -5.805 -2.035 226 2HZ LYS 30 2HZ LYS 30 -15.343 -5.253 -3.572 227 3HZ LYS 30 3HZ LYS 30 -14.268 -6.381 -3.083 228 H VAL 31 HN VAL 31 -7.635 -1.081 -1.835 229 HA VAL 31 HA VAL 31 -5.294 -2.692 -2.504 230 HB VAL 31 HB VAL 31 -5.589 0.078 -1.326 231 1HG1 VAL 31 1HG1 VAL 31 -3.254 -1.715 -1.674 232 2HG1 VAL 31 2HG1 VAL 31 -3.031 -0.040 -2.232 233 3HG1 VAL 31 3HG1 VAL 31 -3.508 -0.361 -0.547 234 1HG2 VAL 31 1HG2 VAL 31 -6.297 0.041 -3.639 235 2HG2 VAL 31 2HG2 VAL 31 -4.698 0.816 -3.535 236 3HG2 VAL 31 3HG2 VAL 31 -4.839 -0.862 -4.114 237 H TRP 32 HN TRP 32 -3.965 -3.631 -0.916 238 HA TRP 32 HA TRP 32 -4.521 -3.202 1.855 239 1HB TRP 32 2HB TRP 32 -5.404 -5.271 2.461 240 2HB TRP 32 3HB TRP 32 -6.377 -4.738 1.105 241 HD1 TRP 32 HD1 TRP 32 -3.598 -7.325 1.903 242 HE1 TRP 32 HE1 TRP 32 -3.628 -9.306 0.161 243 HE3 TRP 32 HE3 TRP 32 -7.113 -5.282 -1.151 244 HZ2 TRP 32 HZ2 TRP 32 -5.085 -9.786 -2.246 245 HZ3 TRP 32 HZ3 TRP 32 -7.783 -6.573 -3.176 246 HH2 TRP 32 HH2 TRP 32 -6.829 -8.751 -3.744 247 H GLY 33 HN GLY 33 -2.807 -4.136 3.158 248 1HA GLY 33 1HA GLY 33 -0.798 -5.780 1.918 249 2HA GLY 33 2HA GLY 33 -0.295 -4.114 2.124 250 H SER 34 HN SER 34 1.339 -5.320 3.581 251 HA SER 34 HA SER 34 0.420 -4.977 6.252 252 1HB SER 34 2HB SER 34 1.492 -7.712 5.431 253 2HB SER 34 3HB SER 34 1.028 -7.227 7.049 254 HG SER 34 HG SER 34 -0.545 -8.209 5.038 255 H ILE 35 HN ILE 35 2.079 -3.919 7.282 256 HA ILE 35 HA ILE 35 4.679 -3.950 6.027 257 HB ILE 35 HB ILE 35 3.148 -2.202 7.782 258 1HG1 ILE 35 2HG1 ILE 35 5.584 -1.298 6.335 259 2HG1 ILE 35 3HG1 ILE 35 4.311 -1.994 5.352 260 1HG2 ILE 35 1HG2 ILE 35 4.947 -1.298 9.081 261 2HG2 ILE 35 2HG2 ILE 35 4.844 -3.044 9.408 262 3HG2 ILE 35 3HG2 ILE 35 6.117 -2.413 8.336 263 1HD1 ILE 35 1HD1 ILE 35 2.883 -0.239 5.717 264 2HD1 ILE 35 2HD1 ILE 35 3.353 -0.085 7.427 265 3HD1 ILE 35 3HD1 ILE 35 4.372 0.631 6.155 266 H LYS 36 HN LYS 36 6.656 -4.079 7.566 267 HA LYS 36 HA LYS 36 6.280 -5.774 9.850 268 1HB LYS 36 2HB LYS 36 7.416 -6.862 7.275 269 2HB LYS 36 3HB LYS 36 7.914 -7.505 8.827 270 1HG LYS 36 2HG LYS 36 5.191 -7.481 9.177 271 2HG LYS 36 3HG LYS 36 5.270 -7.716 7.442 272 1HD LYS 36 2HD LYS 36 6.936 -9.621 7.879 273 2HD LYS 36 3HD LYS 36 6.574 -9.453 9.586 274 1HE LYS 36 2HE LYS 36 4.039 -9.645 8.745 275 2HE LYS 36 3HE LYS 36 4.776 -10.409 7.350 276 1HZ LYS 36 1HZ LYS 36 4.508 -12.160 8.741 277 2HZ LYS 36 2HZ LYS 36 6.022 -11.728 9.176 278 3HZ LYS 36 3HZ LYS 36 4.751 -11.303 10.110 279 H GLY 37 HN GLY 37 7.564 -4.808 11.318 280 1HA GLY 37 1HA GLY 37 10.050 -4.628 11.734 281 2HA GLY 37 2HA GLY 37 10.061 -3.568 10.339 282 H LEU 38 HN LEU 38 7.614 -2.148 10.703 283 HA LEU 38 HA LEU 38 8.425 -0.136 12.415 284 1HB LEU 38 2HB LEU 38 6.141 -0.778 10.744 285 2HB LEU 38 3HB LEU 38 5.650 0.061 12.203 286 HG LEU 38 HG LEU 38 7.949 1.187 10.657 287 1HD1 LEU 38 1HD1 LEU 38 5.750 0.495 9.218 288 2HD1 LEU 38 2HD1 LEU 38 5.304 2.133 9.753 289 3HD1 LEU 38 3HD1 LEU 38 6.813 1.873 8.845 290 1HD2 LEU 38 1HD2 LEU 38 7.639 2.865 12.070 291 2HD2 LEU 38 2HD2 LEU 38 5.987 3.101 11.451 292 3HD2 LEU 38 3HD2 LEU 38 6.277 1.994 12.814 293 H THR 39 HN THR 39 6.145 0.495 14.010 294 HA THR 39 HA THR 39 5.875 -1.761 15.838 295 HB THR 39 HB THR 39 6.500 0.008 17.700 296 HG1 THR 39 1HG THR 39 6.942 1.885 16.581 297 1HG2 THR 39 1HG2 THR 39 8.651 -1.061 15.795 298 2HG2 THR 39 2HG2 THR 39 8.948 -0.454 17.442 299 3HG2 THR 39 3HG2 THR 39 7.990 -1.935 17.198 300 H GLU 40 HN GLU 40 4.106 -1.549 17.333 301 HA GLU 40 HA GLU 40 1.863 -0.551 16.174 302 1HB GLU 40 2HB GLU 40 0.763 -0.945 18.327 303 2HB GLU 40 3HB GLU 40 1.918 -2.226 18.015 304 1HG GLU 40 2HG GLU 40 2.566 -1.743 20.177 305 2HG GLU 40 3HG GLU 40 3.565 -0.558 19.360 306 H GLY 41 HN GLY 41 1.046 1.478 15.866 307 1HA GLY 41 1HA GLY 41 0.606 3.506 17.455 308 2HA GLY 41 2HA GLY 41 2.339 3.696 17.278 309 H LEU 42 HN LEU 42 0.381 5.626 16.387 310 HA LEU 42 HA LEU 42 -0.202 5.360 13.665 311 1HB LEU 42 2HB LEU 42 -0.272 7.459 15.725 312 2HB LEU 42 3HB LEU 42 -0.063 8.053 14.090 313 HG LEU 42 HG LEU 42 -2.232 6.054 14.602 314 1HD1 LEU 42 1HD1 LEU 42 -2.029 8.499 16.070 315 2HD1 LEU 42 2HD1 LEU 42 -3.370 8.638 14.907 316 3HD1 LEU 42 3HD1 LEU 42 -3.336 7.291 16.071 317 1HD2 LEU 42 1HD2 LEU 42 -1.824 6.729 12.320 318 2HD2 LEU 42 2HD2 LEU 42 -3.383 7.392 12.866 319 3HD2 LEU 42 3HD2 LEU 42 -1.953 8.448 12.766 320 H HIS 43 HN HIS 43 0.901 5.907 11.793 321 HA HIS 43 HA HIS 43 3.646 6.839 12.218 322 1HB HIS 43 2HB HIS 43 2.714 4.810 10.169 323 2HB HIS 43 3HB HIS 43 4.349 5.413 10.351 324 HD1 HIS 43 HD1 HIS 43 3.347 2.363 10.697 325 HD2 HIS 43 HD2 HIS 43 4.313 5.057 13.763 326 HE1 HIS 43 HE1 HIS 43 3.955 0.945 12.729 327 H GLY 44 HN GLY 44 4.582 7.913 10.205 328 1HA GLY 44 1HA GLY 44 3.006 10.052 9.415 329 2HA GLY 44 2HA GLY 44 4.473 9.508 8.627 330 H PHE 45 HN PHE 45 3.155 10.372 6.689 331 HA PHE 45 HA PHE 45 1.236 8.360 5.780 332 1HB PHE 45 2HB PHE 45 1.936 11.070 4.533 333 2HB PHE 45 3HB PHE 45 0.444 10.171 4.338 334 HD1 PHE 45 1HD PHE 45 -0.942 9.809 6.544 335 HD2 PHE 45 2HD PHE 45 1.998 12.826 6.039 336 HE1 PHE 45 1HE PHE 45 -1.982 11.134 8.405 337 HE2 PHE 45 2HE PHE 45 0.958 14.151 7.900 338 HZ PHE 45 HZ PHE 45 -1.020 13.289 9.061 339 H HIS 46 HN HIS 46 1.361 7.586 3.544 340 HA HIS 46 HA HIS 46 4.046 7.014 2.830 341 1HB HIS 46 2HB HIS 46 1.708 6.467 1.031 342 2HB HIS 46 3HB HIS 46 3.151 5.511 1.302 343 HD1 HIS 46 HD1 HIS 46 3.103 3.767 3.182 344 HD2 HIS 46 HD2 HIS 46 -0.301 6.216 3.092 345 HE1 HIS 46 HE1 HIS 46 1.425 2.718 4.793 346 H VAL 47 HN VAL 47 4.589 7.219 0.300 347 HA VAL 47 HA VAL 47 5.222 8.592 -1.311 348 HB VAL 47 HB VAL 47 2.656 10.111 -0.864 349 1HG1 VAL 47 1HG1 VAL 47 3.669 9.413 -3.572 350 2HG1 VAL 47 2HG1 VAL 47 2.896 10.903 -2.982 351 3HG1 VAL 47 3HG1 VAL 47 4.618 10.601 -2.648 352 1HG2 VAL 47 1HG2 VAL 47 3.022 7.449 -2.280 353 2HG2 VAL 47 2HG2 VAL 47 2.086 7.746 -0.795 354 3HG2 VAL 47 3HG2 VAL 47 1.553 8.453 -2.339 355 H HIS 48 HN HIS 48 6.917 9.941 -1.046 356 HA HIS 48 HA HIS 48 6.532 12.517 0.045 357 1HB HIS 48 2HB HIS 48 6.810 12.020 2.205 358 2HB HIS 48 3HB HIS 48 7.358 10.392 1.859 359 HD1 HIS 48 HD1 HIS 48 10.032 10.529 0.717 360 HD2 HIS 48 HD2 HIS 48 8.761 13.409 3.489 361 HE1 HIS 48 HE1 HIS 48 12.150 11.559 1.699 362 H GLU 49 HN GLU 49 7.891 13.825 -1.080 363 HA GLU 49 HA GLU 49 10.193 12.502 -2.282 364 1HB GLU 49 2HB GLU 49 8.215 13.704 -3.634 365 2HB GLU 49 3HB GLU 49 9.151 15.145 -3.288 366 1HG GLU 49 2HG GLU 49 11.024 13.152 -4.138 367 2HG GLU 49 3HG GLU 49 9.673 13.064 -5.250 368 H GLU 50 HN GLU 50 11.567 14.911 -3.075 369 HA GLU 50 HA GLU 50 12.853 16.520 -2.348 370 1HB GLU 50 2HB GLU 50 10.736 17.095 -0.867 371 2HB GLU 50 3HB GLU 50 11.707 16.471 0.452 372 1HG GLU 50 2HG GLU 50 13.305 18.183 0.282 373 2HG GLU 50 3HG GLU 50 12.989 18.459 -1.420 374 H GLU 51 HN GLU 51 14.836 15.492 -2.411 375 HA GLU 51 HA GLU 51 16.190 15.007 -0.108 376 1HB GLU 51 2HB GLU 51 14.397 12.908 -0.453 377 2HB GLU 51 3HB GLU 51 15.862 12.260 -1.164 378 1HG GLU 51 2HG GLU 51 15.815 11.724 1.232 379 2HG GLU 51 3HG GLU 51 17.131 12.836 0.912 380 H ASP 52 HN ASP 52 17.937 12.854 -0.948 381 HA ASP 52 HA ASP 52 18.605 12.950 -3.603 382 1HB ASP 52 2HB ASP 52 19.117 15.358 -3.150 383 2HB ASP 52 3HB ASP 52 20.226 14.883 -1.879 384 H ASN 53 HN ASN 53 19.943 11.135 -3.820 385 HA ASN 53 HA ASN 53 21.496 9.660 -3.394 386 1HB ASN 53 2HB ASN 53 22.229 10.859 -0.703 387 2HB ASN 53 3HB ASN 53 23.271 10.044 -1.853 388 1HD2 ASN 53 1HD2 ASN 53 22.498 12.940 -0.556 389 2HD2 ASN 53 2HD2 ASN 53 23.024 14.029 -1.796 390 H THR 54 HN THR 54 19.456 8.346 -3.032 391 HA THR 54 HA THR 54 18.831 7.847 -0.218 392 HB THR 54 HB THR 54 17.016 8.373 -1.903 393 HG1 THR 54 1HG THR 54 17.164 5.606 -0.933 394 1HG2 THR 54 1HG2 THR 54 16.396 6.679 -3.549 395 2HG2 THR 54 2HG2 THR 54 18.100 7.098 -3.846 396 3HG2 THR 54 3HG2 THR 54 17.690 5.593 -2.989 397 H ALA 55 HN ALA 55 19.771 6.069 -3.229 398 HA ALA 55 HA ALA 55 21.001 4.236 -3.470 399 1HB ALA 55 1HB ALA 55 21.477 3.975 -0.505 400 2HB ALA 55 2HB ALA 55 22.578 3.641 -1.863 401 3HB ALA 55 3HB ALA 55 22.224 5.322 -1.397 402 H GLY 56 HN GLY 56 19.211 3.973 -0.310 403 1HA GLY 56 1HA GLY 56 18.405 1.270 -0.924 404 2HA GLY 56 2HA GLY 56 18.003 2.217 0.495 405 H CYS 57 HN CYS 57 17.404 2.288 -3.097 406 HA CYS 57 HA CYS 57 14.778 1.863 -3.124 407 1HB CYS 57 2HB CYS 57 15.253 4.440 -1.868 408 2HB CYS 57 3HB CYS 57 14.281 4.606 -3.316 409 H THR 58 HN THR 58 13.830 2.467 -5.260 410 HA THR 58 HA THR 58 15.958 3.176 -7.153 411 HB THR 58 HB THR 58 13.669 1.282 -7.070 412 HG1 THR 58 1HG THR 58 15.804 0.536 -7.400 413 1HG2 THR 58 1HG2 THR 58 12.752 2.838 -8.788 414 2HG2 THR 58 2HG2 THR 58 14.329 2.860 -9.614 415 3HG2 THR 58 3HG2 THR 58 13.372 1.360 -9.561 416 H SER 59 HN SER 59 13.354 4.562 -5.486 417 HA SER 59 HA SER 59 12.151 6.351 -5.767 418 1HB SER 59 2HB SER 59 14.575 7.125 -7.434 419 2HB SER 59 3HB SER 59 13.277 8.256 -7.105 420 HG SER 59 HG SER 59 14.889 8.530 -5.515 421 H ALA 60 HN ALA 60 10.477 5.098 -6.931 422 HA ALA 60 HA ALA 60 10.470 4.819 -9.710 423 1HB ALA 60 1HB ALA 60 7.933 4.563 -9.262 424 2HB ALA 60 2HB ALA 60 9.034 3.424 -8.451 425 3HB ALA 60 3HB ALA 60 8.349 4.795 -7.547 426 H GLY 61 HN GLY 61 8.042 6.849 -7.977 427 1HA GLY 61 1HA GLY 61 8.806 9.201 -9.504 428 2HA GLY 61 2HA GLY 61 7.270 8.481 -9.944 429 HA PRO 62 HA PRO 62 6.906 9.963 -5.445 430 1HB PRO 62 2HB PRO 62 8.944 11.410 -4.339 431 2HB PRO 62 3HB PRO 62 8.750 9.686 -4.094 432 1HG PRO 62 2HG PRO 62 10.692 11.107 -5.811 433 2HG PRO 62 3HG PRO 62 10.747 9.456 -5.226 434 1HD PRO 62 2HD PRO 62 10.039 10.318 -7.869 435 2HD PRO 62 3HD PRO 62 9.982 8.679 -7.250 436 H HIS 63 HN HIS 63 5.290 11.377 -5.545 437 HA HIS 63 HA HIS 63 6.113 14.055 -6.379 438 1HB HIS 63 2HB HIS 63 4.291 12.247 -7.736 439 2HB HIS 63 3HB HIS 63 3.463 13.714 -7.253 440 HD1 HIS 63 HD1 HIS 63 6.038 12.408 -9.625 441 HD2 HIS 63 HD2 HIS 63 4.458 16.118 -8.469 442 HE1 HIS 63 HE1 HIS 63 6.799 14.090 -11.386 443 H PHE 64 HN PHE 64 6.223 14.502 -4.066 444 HA PHE 64 HA PHE 64 3.607 15.201 -3.055 445 1HB PHE 64 2HB PHE 64 4.003 12.903 -2.181 446 2HB PHE 64 3HB PHE 64 5.640 13.324 -1.717 447 HD1 PHE 64 1HD PHE 64 2.109 13.596 -0.830 448 HD2 PHE 64 2HD PHE 64 6.065 14.657 0.280 449 HE1 PHE 64 1HE PHE 64 1.298 14.222 1.462 450 HE2 PHE 64 2HE PHE 64 5.255 15.283 2.572 451 HZ PHE 64 HZ PHE 64 2.881 15.058 3.135 452 H ASN 65 HN ASN 65 3.879 17.351 -2.671 453 HA ASN 65 HA ASN 65 6.483 18.184 -1.711 454 1HB ASN 65 2HB ASN 65 4.096 19.748 -2.824 455 2HB ASN 65 3HB ASN 65 5.548 20.521 -2.218 456 1HD2 ASN 65 1HD2 ASN 65 4.028 19.580 -4.918 457 2HD2 ASN 65 2HD2 ASN 65 5.351 19.310 -6.002 458 HA PRO 66 HA PRO 66 4.709 19.002 2.218 459 1HB PRO 66 2HB PRO 66 6.471 20.826 3.236 460 2HB PRO 66 3HB PRO 66 6.777 19.101 3.226 461 1HG PRO 66 2HG PRO 66 7.939 21.200 1.498 462 2HG PRO 66 3HG PRO 66 8.524 19.575 1.796 463 1HD PRO 66 2HD PRO 66 7.147 20.501 -0.543 464 2HD PRO 66 3HD PRO 66 7.629 18.853 -0.195 465 H LEU 67 HN LEU 67 2.957 19.971 0.655 466 HA LEU 67 HA LEU 67 2.009 22.218 2.006 467 1HB LEU 67 2HB LEU 67 4.007 23.047 0.448 468 2HB LEU 67 3HB LEU 67 2.735 23.051 -0.757 469 HG LEU 67 HG LEU 67 2.863 25.246 0.123 470 1HD1 LEU 67 1HD1 LEU 67 0.643 25.588 1.131 471 2HD1 LEU 67 2HD1 LEU 67 0.593 24.473 -0.256 472 3HD1 LEU 67 3HD1 LEU 67 0.507 23.834 1.403 473 1HD2 LEU 67 1HD2 LEU 67 4.116 24.666 2.180 474 2HD2 LEU 67 2HD2 LEU 67 2.794 25.823 2.465 475 3HD2 LEU 67 3HD2 LEU 67 2.594 24.114 2.921 476 H SER 68 HN SER 68 1.192 19.565 1.185 477 HA SER 68 HA SER 68 -0.760 20.198 -0.872 478 1HB SER 68 2HB SER 68 -0.968 17.459 -0.229 479 2HB SER 68 3HB SER 68 -0.200 18.152 -1.644 480 HG SER 68 HG SER 68 1.035 16.692 0.076 481 H ARG 69 HN ARG 69 -0.558 18.234 2.196 482 HA ARG 69 HA ARG 69 -3.355 18.775 2.600 483 1HB ARG 69 2HB ARG 69 -3.192 17.080 4.404 484 2HB ARG 69 3HB ARG 69 -2.501 16.455 2.919 485 1HG ARG 69 2HG ARG 69 -0.514 16.118 3.953 486 2HG ARG 69 3HG ARG 69 -0.398 17.825 4.333 487 1HD ARG 69 2HD ARG 69 -0.337 16.736 6.458 488 2HD ARG 69 3HD ARG 69 -1.972 17.353 6.332 489 HE ARG 69 HE ARG 69 -1.706 14.636 5.282 490 1HH1 ARG 69 2HH2 ARG 69 -2.215 16.550 8.190 491 2HH1 ARG 69 1HH2 ARG 69 -2.998 15.267 9.051 492 1HH2 ARG 69 2HH1 ARG 69 -2.740 12.943 6.417 493 2HH2 ARG 69 1HH1 ARG 69 -3.299 13.202 8.036 494 H LYS 70 HN LYS 70 -2.589 21.181 2.910 495 HA LYS 70 HA LYS 70 -1.060 22.052 4.978 496 1HB LYS 70 2HB LYS 70 -2.302 23.329 3.098 497 2HB LYS 70 3HB LYS 70 -3.642 23.418 4.223 498 1HG LYS 70 2HG LYS 70 -1.593 24.195 5.874 499 2HG LYS 70 3HG LYS 70 -0.973 24.766 4.337 500 1HD LYS 70 2HD LYS 70 -2.820 26.223 3.981 501 2HD LYS 70 3HD LYS 70 -3.845 25.361 5.111 502 1HE LYS 70 2HE LYS 70 -3.267 26.928 6.655 503 2HE LYS 70 3HE LYS 70 -1.691 26.163 6.715 504 1HZ LYS 70 1HZ LYS 70 -1.113 28.243 6.123 505 2HZ LYS 70 2HZ LYS 70 -1.335 27.651 4.617 506 3HZ LYS 70 3HZ LYS 70 -2.496 28.563 5.316 507 H HIS 71 HN HIS 71 -1.115 20.903 6.902 508 HA HIS 71 HA HIS 71 -1.956 20.003 8.747 509 1HB HIS 71 2HB HIS 71 -2.787 21.593 10.273 510 2HB HIS 71 3HB HIS 71 -1.736 22.475 9.183 511 HD1 HIS 71 HD1 HIS 71 -5.221 22.329 10.429 512 HD2 HIS 71 HD2 HIS 71 -3.153 24.142 7.261 513 HE1 HIS 71 HE1 HIS 71 -6.765 24.143 9.512 514 H GLY 72 HN GLY 72 -3.144 18.223 7.908 515 1HA GLY 72 1HA GLY 72 -6.062 18.695 7.734 516 2HA GLY 72 2HA GLY 72 -5.190 17.531 6.756 517 H GLY 73 HN GLY 73 -5.586 15.470 7.424 518 1HA GLY 73 1HA GLY 73 -4.788 14.146 9.519 519 2HA GLY 73 2HA GLY 73 -6.120 15.001 10.271 520 HA PRO 74 HA PRO 74 -8.169 11.403 8.649 521 1HB PRO 74 2HB PRO 74 -10.095 11.247 10.581 522 2HB PRO 74 3HB PRO 74 -8.541 10.446 10.710 523 1HG PRO 74 2HG PRO 74 -9.491 12.883 12.089 524 2HG PRO 74 3HG PRO 74 -8.144 11.840 12.504 525 1HD PRO 74 2HD PRO 74 -7.999 14.412 11.242 526 2HD PRO 74 3HD PRO 74 -6.664 13.319 11.552 527 H LYS 75 HN LYS 75 -9.778 14.297 9.823 528 HA LYS 75 HA LYS 75 -12.120 13.931 8.370 529 1HB LYS 75 2HB LYS 75 -10.721 16.311 9.568 530 2HB LYS 75 3HB LYS 75 -12.156 16.537 8.589 531 1HG LYS 75 2HG LYS 75 -12.068 14.563 10.910 532 2HG LYS 75 3HG LYS 75 -12.522 16.241 11.129 533 1HD LYS 75 2HD LYS 75 -14.552 15.986 10.044 534 2HD LYS 75 3HD LYS 75 -13.923 14.815 8.903 535 1HE LYS 75 2HE LYS 75 -14.972 13.219 10.140 536 2HE LYS 75 3HE LYS 75 -13.726 13.461 11.348 537 1HZ LYS 75 1HZ LYS 75 -16.014 15.258 11.311 538 2HZ LYS 75 2HZ LYS 75 -16.188 13.768 11.956 539 3HZ LYS 75 3HZ LYS 75 -15.082 14.800 12.571 540 H ASP 76 HN ASP 76 -8.874 14.956 7.416 541 HA ASP 76 HA ASP 76 -7.992 15.425 5.493 542 1HB ASP 76 2HB ASP 76 -10.371 14.589 3.864 543 2HB ASP 76 3HB ASP 76 -8.677 14.210 3.624 544 H GLU 77 HN GLU 77 -8.081 17.747 5.645 545 HA GLU 77 HA GLU 77 -10.430 18.944 4.399 546 1HB GLU 77 2HB GLU 77 -10.061 19.580 6.781 547 2HB GLU 77 3HB GLU 77 -8.463 20.177 6.380 548 1HG GLU 77 2HG GLU 77 -9.945 22.090 6.419 549 2HG GLU 77 3HG GLU 77 -9.537 21.792 4.741 550 H GLU 78 HN GLU 78 -7.061 18.266 4.092 551 HA GLU 78 HA GLU 78 -7.007 19.878 1.713 552 1HB GLU 78 2HB GLU 78 -5.385 20.464 4.148 553 2HB GLU 78 3HB GLU 78 -4.495 20.471 2.639 554 1HG GLU 78 2HG GLU 78 -7.094 21.873 2.438 555 2HG GLU 78 3HG GLU 78 -6.034 22.582 3.640 556 H ARG 79 HN ARG 79 -5.049 19.309 0.323 557 HA ARG 79 HA ARG 79 -3.195 17.528 0.716 558 1HB ARG 79 2HB ARG 79 -4.306 15.294 -0.100 559 2HB ARG 79 3HB ARG 79 -4.494 15.745 1.583 560 1HG ARG 79 2HG ARG 79 -6.636 17.041 0.263 561 2HG ARG 79 3HG ARG 79 -6.541 15.467 -0.501 562 1HD ARG 79 2HD ARG 79 -6.212 14.896 2.241 563 2HD ARG 79 3HD ARG 79 -7.421 16.165 2.224 564 HE ARG 79 HE ARG 79 -7.813 13.446 1.369 565 1HH1 ARG 79 2HH2 ARG 79 -8.712 16.740 0.515 566 2HH1 ARG 79 1HH2 ARG 79 -10.201 16.274 -0.237 567 1HH2 ARG 79 2HH1 ARG 79 -9.778 12.832 0.377 568 2HH2 ARG 79 1HH1 ARG 79 -10.812 14.036 -0.316 569 H HIS 80 HN HIS 80 -2.436 18.800 -1.072 570 HA HIS 80 HA HIS 80 -3.900 18.784 -3.523 571 1HB HIS 80 2HB HIS 80 -2.545 20.709 -2.680 572 2HB HIS 80 3HB HIS 80 -1.092 19.768 -2.952 573 HD1 HIS 80 HD1 HIS 80 -0.353 19.360 -5.436 574 HD2 HIS 80 HD2 HIS 80 -3.767 21.758 -5.002 575 HE1 HIS 80 HE1 HIS 80 -0.749 20.456 -7.705 576 H VAL 81 HN VAL 81 -1.519 16.770 -1.951 577 HA VAL 81 HA VAL 81 -0.732 15.576 -4.491 578 HB VAL 81 HB VAL 81 0.232 15.275 -1.645 579 1HG1 VAL 81 1HG1 VAL 81 2.104 13.917 -2.821 580 2HG1 VAL 81 2HG1 VAL 81 0.554 13.114 -2.476 581 3HG1 VAL 81 3HG1 VAL 81 0.910 13.692 -4.122 582 1HG2 VAL 81 1HG2 VAL 81 2.084 16.527 -2.247 583 2HG2 VAL 81 2HG2 VAL 81 1.906 16.162 -3.980 584 3HG2 VAL 81 3HG2 VAL 81 0.801 17.316 -3.195 585 H GLY 82 HN GLY 82 -0.989 13.745 -1.459 586 1HA GLY 82 1HA GLY 82 -3.537 12.592 -1.992 587 2HA GLY 82 2HA GLY 82 -2.248 11.559 -2.576 588 H ASP 83 HN ASP 83 -2.333 13.772 0.298 589 HA ASP 83 HA ASP 83 -0.902 12.354 1.983 590 1HB ASP 83 2HB ASP 83 -1.659 14.248 3.040 591 2HB ASP 83 3HB ASP 83 -3.224 14.179 2.255 592 H LEU 84 HN LEU 84 -4.525 12.034 1.645 593 HA LEU 84 HA LEU 84 -5.829 10.231 1.750 594 1HB LEU 84 2HB LEU 84 -3.530 9.072 0.998 595 2HB LEU 84 3HB LEU 84 -3.697 8.340 2.582 596 HG LEU 84 HG LEU 84 -4.659 6.842 1.019 597 1HD1 LEU 84 1HD1 LEU 84 -6.673 6.417 2.022 598 2HD1 LEU 84 2HD1 LEU 84 -5.970 7.559 3.193 599 3HD1 LEU 84 3HD1 LEU 84 -7.173 8.126 2.010 600 1HD2 LEU 84 1HD2 LEU 84 -5.890 9.300 -0.166 601 2HD2 LEU 84 2HD2 LEU 84 -5.051 7.943 -0.954 602 3HD2 LEU 84 3HD2 LEU 84 -6.715 7.735 -0.359 603 H GLY 85 HN GLY 85 -3.292 9.439 4.224 604 1HA GLY 85 1HA GLY 85 -4.454 10.602 6.425 605 2HA GLY 85 2HA GLY 85 -5.271 9.061 6.251 606 H ASN 86 HN ASN 86 -3.744 9.502 8.526 607 HA ASN 86 HA ASN 86 -1.117 8.495 8.079 608 1HB ASN 86 2HB ASN 86 -1.142 8.457 10.687 609 2HB ASN 86 3HB ASN 86 -1.285 10.022 9.913 610 1HD2 ASN 86 1HD2 ASN 86 -2.257 10.793 11.822 611 2HD2 ASN 86 2HD2 ASN 86 -3.927 10.508 12.182 612 H VAL 87 HN VAL 87 -0.418 6.335 8.526 613 HA VAL 87 HA VAL 87 -2.582 4.420 8.896 614 HB VAL 87 HB VAL 87 -0.791 2.792 8.239 615 1HG1 VAL 87 1HG1 VAL 87 -2.462 4.126 6.694 616 2HG1 VAL 87 2HG1 VAL 87 -0.967 4.877 6.088 617 3HG1 VAL 87 3HG1 VAL 87 -1.180 3.113 5.988 618 1HG2 VAL 87 1HG2 VAL 87 1.333 3.427 7.592 619 2HG2 VAL 87 2HG2 VAL 87 0.852 5.110 7.266 620 3HG2 VAL 87 3HG2 VAL 87 1.041 4.547 8.944 621 H THR 88 HN THR 88 -1.878 2.388 10.255 622 HA THR 88 HA THR 88 -0.231 3.155 12.535 623 HB THR 88 HB THR 88 -3.065 2.091 12.921 624 HG1 THR 88 1HG THR 88 -1.907 4.775 12.710 625 1HG2 THR 88 1HG2 THR 88 -0.841 3.146 14.638 626 2HG2 THR 88 2HG2 THR 88 -2.472 3.744 15.025 627 3HG2 THR 88 3HG2 THR 88 -2.137 1.996 15.049 628 H ALA 89 HN ALA 89 0.543 1.370 13.777 629 HA ALA 89 HA ALA 89 0.760 -0.999 12.142 630 1HB ALA 89 1HB ALA 89 2.187 0.275 14.409 631 2HB ALA 89 2HB ALA 89 2.161 -1.505 14.440 632 3HB ALA 89 3HB ALA 89 2.826 -0.649 13.028 633 H ASP 90 HN ASP 90 0.532 -3.201 13.239 634 HA ASP 90 HA ASP 90 -2.075 -3.344 14.265 635 1HB ASP 90 2HB ASP 90 -1.308 -5.183 12.938 636 2HB ASP 90 3HB ASP 90 0.183 -5.330 13.847 637 H LYS 91 HN LYS 91 0.440 -5.383 15.749 638 HA LYS 91 HA LYS 91 0.279 -3.860 18.235 639 1HB LYS 91 2HB LYS 91 -0.338 -5.733 19.547 640 2HB LYS 91 3HB LYS 91 -1.485 -5.656 18.224 641 1HG LYS 91 2HG LYS 91 0.057 -7.326 16.979 642 2HG LYS 91 3HG LYS 91 0.890 -7.544 18.505 643 1HD LYS 91 2HD LYS 91 -0.722 -9.274 18.530 644 2HD LYS 91 3HD LYS 91 -1.464 -8.031 19.519 645 1HE LYS 91 2HE LYS 91 -2.720 -7.215 17.475 646 2HE LYS 91 3HE LYS 91 -2.038 -8.545 16.561 647 1HZ LYS 91 1HZ LYS 91 -3.471 -9.060 19.052 648 2HZ LYS 91 2HZ LYS 91 -4.291 -8.848 17.656 649 3HZ LYS 91 3HZ LYS 91 -3.215 -10.069 17.793 650 H ASP 92 HN ASP 92 2.177 -4.761 15.825 651 HA ASP 92 HA ASP 92 4.439 -4.933 17.548 652 1HB ASP 92 2HB ASP 92 3.411 -7.278 16.023 653 2HB ASP 92 3HB ASP 92 5.117 -6.956 15.780 654 H GLY 93 HN GLY 93 3.119 -3.194 15.425 655 1HA GLY 93 1HA GLY 93 4.234 -1.712 14.010 656 2HA GLY 93 2HA GLY 93 5.458 -2.921 13.679 657 H VAL 94 HN VAL 94 3.771 -5.183 13.092 658 HA VAL 94 HA VAL 94 3.442 -5.052 10.445 659 HB VAL 94 HB VAL 94 1.547 -6.475 12.323 660 1HG1 VAL 94 1HG1 VAL 94 1.053 -6.457 9.826 661 2HG1 VAL 94 2HG1 VAL 94 2.556 -7.388 9.616 662 3HG1 VAL 94 3HG1 VAL 94 1.220 -8.059 10.583 663 1HG2 VAL 94 1HG2 VAL 94 4.429 -6.961 11.654 664 2HG2 VAL 94 2HG2 VAL 94 3.559 -7.176 13.193 665 3HG2 VAL 94 3HG2 VAL 94 3.352 -8.361 11.880 666 H ALA 95 HN ALA 95 2.674 -3.166 9.503 667 HA ALA 95 HA ALA 95 0.051 -2.225 10.363 668 1HB ALA 95 1HB ALA 95 2.477 -1.027 9.377 669 2HB ALA 95 2HB ALA 95 1.149 -0.648 8.254 670 3HB ALA 95 3HB ALA 95 1.003 -0.229 9.978 671 H ASP 96 HN ASP 96 -1.699 -3.107 9.387 672 HA ASP 96 HA ASP 96 -1.305 -4.180 6.726 673 1HB ASP 96 2HB ASP 96 -2.347 -5.763 8.183 674 2HB ASP 96 3HB ASP 96 -3.391 -4.551 8.898 675 H VAL 97 HN VAL 97 -2.740 -3.514 4.965 676 HA VAL 97 HA VAL 97 -4.247 -1.060 5.557 677 HB VAL 97 HB VAL 97 -2.575 -1.846 3.171 678 1HG1 VAL 97 1HG1 VAL 97 -3.322 0.406 2.239 679 2HG1 VAL 97 2HG1 VAL 97 -4.519 -0.910 2.186 680 3HG1 VAL 97 3HG1 VAL 97 -4.640 0.353 3.435 681 1HG2 VAL 97 1HG2 VAL 97 -1.684 0.560 3.736 682 2HG2 VAL 97 2HG2 VAL 97 -2.389 0.228 5.337 683 3HG2 VAL 97 3HG2 VAL 97 -1.132 -0.846 4.677 684 H SER 98 HN SER 98 -6.190 -0.719 4.211 685 HA SER 98 HA SER 98 -7.144 -2.666 2.506 686 1HB SER 98 2HB SER 98 -8.954 -3.661 3.932 687 2HB SER 98 3HB SER 98 -7.343 -4.150 4.419 688 HG SER 98 HG SER 98 -7.590 -2.123 5.928 689 H ILE 99 HN ILE 99 -7.585 -0.618 1.433 690 HA ILE 99 HA ILE 99 -10.000 0.664 2.490 691 HB ILE 99 HB ILE 99 -7.694 2.131 1.211 692 1HG1 ILE 99 2HG1 ILE 99 -8.068 2.907 3.923 693 2HG1 ILE 99 3HG1 ILE 99 -7.952 1.158 3.902 694 1HG2 ILE 99 1HG2 ILE 99 -8.911 4.031 1.350 695 2HG2 ILE 99 2HG2 ILE 99 -10.272 2.889 1.234 696 3HG2 ILE 99 3HG2 ILE 99 -9.767 3.514 2.822 697 1HD1 ILE 99 1HD1 ILE 99 -5.696 1.921 4.067 698 2HD1 ILE 99 2HD1 ILE 99 -5.892 1.462 2.359 699 3HD1 ILE 99 3HD1 ILE 99 -5.946 3.177 2.831 700 H GLU 100 HN GLU 100 -11.482 1.420 0.883 701 HA GLU 100 HA GLU 100 -10.846 0.386 -1.771 702 1HB GLU 100 2HB GLU 100 -12.620 -0.884 -0.361 703 2HB GLU 100 3HB GLU 100 -13.655 0.508 -0.616 704 1HG GLU 100 2HG GLU 100 -12.490 -0.222 -3.161 705 2HG GLU 100 3HG GLU 100 -13.132 -1.675 -2.421 706 H ASP 101 HN ASP 101 -10.146 2.390 -2.626 707 HA ASP 101 HA ASP 101 -11.915 4.634 -2.294 708 1HB ASP 101 2HB ASP 101 -9.099 4.180 -3.045 709 2HB ASP 101 3HB ASP 101 -9.876 5.337 -4.107 710 H SER 102 HN SER 102 -13.260 5.410 -3.980 711 HA SER 102 HA SER 102 -13.049 3.931 -6.487 712 1HB SER 102 2HB SER 102 -15.481 4.259 -6.752 713 2HB SER 102 3HB SER 102 -15.127 3.422 -5.254 714 HG SER 102 HG SER 102 -16.147 4.982 -4.221 715 H VAL 103 HN VAL 103 -11.422 6.202 -6.038 716 HA VAL 103 HA VAL 103 -12.739 8.154 -7.792 717 HB VAL 103 HB VAL 103 -11.044 8.613 -5.339 718 1HG1 VAL 103 1HG1 VAL 103 -11.859 11.083 -6.533 719 2HG1 VAL 103 2HG1 VAL 103 -10.213 10.490 -6.205 720 3HG1 VAL 103 3HG1 VAL 103 -10.998 10.122 -7.759 721 1HG2 VAL 103 1HG2 VAL 103 -13.494 8.314 -5.029 722 2HG2 VAL 103 2HG2 VAL 103 -12.923 9.936 -4.567 723 3HG2 VAL 103 3HG2 VAL 103 -13.772 9.698 -6.114 724 H ILE 104 HN ILE 104 -9.519 7.144 -6.431 725 HA ILE 104 HA ILE 104 -7.985 8.145 -8.480 726 HB ILE 104 HB ILE 104 -6.321 6.445 -7.758 727 1HG1 ILE 104 2HG1 ILE 104 -6.879 5.044 -5.781 728 2HG1 ILE 104 3HG1 ILE 104 -8.561 5.507 -5.942 729 1HG2 ILE 104 1HG2 ILE 104 -7.138 8.711 -6.521 730 2HG2 ILE 104 2HG2 ILE 104 -7.346 7.530 -5.205 731 3HG2 ILE 104 3HG2 ILE 104 -5.759 7.719 -5.989 732 1HD1 ILE 104 1HD1 ILE 104 -8.890 4.222 -7.841 733 2HD1 ILE 104 2HD1 ILE 104 -7.217 4.441 -8.407 734 3HD1 ILE 104 3HD1 ILE 104 -7.571 3.284 -7.101 735 H SER 105 HN SER 105 -6.579 6.492 -9.936 736 HA SER 105 HA SER 105 -8.347 4.528 -11.092 737 1HB SER 105 2HB SER 105 -7.583 7.100 -12.376 738 2HB SER 105 3HB SER 105 -7.340 5.689 -13.387 739 HG SER 105 HG SER 105 -9.460 5.472 -13.628 740 H LEU 106 HN LEU 106 -7.191 2.860 -12.252 741 HA LEU 106 HA LEU 106 -4.686 2.262 -11.297 742 1HB LEU 106 2HB LEU 106 -6.511 1.260 -13.364 743 2HB LEU 106 3HB LEU 106 -4.823 0.916 -13.685 744 HG LEU 106 HG LEU 106 -6.131 -0.860 -12.443 745 1HD1 LEU 106 1HD1 LEU 106 -4.228 -1.155 -10.698 746 2HD1 LEU 106 2HD1 LEU 106 -3.841 -1.196 -12.435 747 3HD1 LEU 106 3HD1 LEU 106 -3.519 0.275 -11.485 748 1HD2 LEU 106 1HD2 LEU 106 -7.450 0.115 -10.853 749 2HD2 LEU 106 2HD2 LEU 106 -6.047 -0.333 -9.853 750 3HD2 LEU 106 3HD2 LEU 106 -6.233 1.342 -10.427 751 H SER 107 HN SER 107 -5.543 3.559 -14.585 752 HA SER 107 HA SER 107 -3.173 5.141 -14.508 753 1HB SER 107 2HB SER 107 -2.986 2.565 -15.655 754 2HB SER 107 3HB SER 107 -3.151 3.642 -17.027 755 HG SER 107 HG SER 107 -0.938 3.477 -16.525 756 H GLY 108 HN GLY 108 -4.796 6.834 -14.656 757 1HA GLY 108 1HA GLY 108 -5.245 8.116 -16.897 758 2HA GLY 108 2HA GLY 108 -6.457 6.862 -17.067 759 H ASP 109 HN ASP 109 -5.858 9.975 -15.877 760 HA ASP 109 HA ASP 109 -7.424 11.339 -15.061 761 1HB ASP 109 2HB ASP 109 -9.090 9.299 -15.288 762 2HB ASP 109 3HB ASP 109 -8.803 9.080 -13.574 763 H HIS 110 HN HIS 110 -6.422 8.465 -13.096 764 HA HIS 110 HA HIS 110 -5.115 10.198 -11.230 765 1HB HIS 110 2HB HIS 110 -7.489 8.528 -10.366 766 2HB HIS 110 3HB HIS 110 -6.303 9.182 -9.254 767 HD1 HIS 110 HD1 HIS 110 -8.915 10.361 -11.774 768 HD2 HIS 110 HD2 HIS 110 -6.720 11.811 -8.506 769 HE1 HIS 110 HE1 HIS 110 -9.868 12.667 -11.240 770 H SER 111 HN SER 111 -3.846 8.593 -12.955 771 HA SER 111 HA SER 111 -3.622 5.960 -12.505 772 1HB SER 111 2HB SER 111 -1.234 6.199 -13.270 773 2HB SER 111 3HB SER 111 -2.387 7.045 -14.282 774 HG SER 111 HG SER 111 -1.828 8.948 -12.710 775 H ILE 112 HN ILE 112 -3.273 4.779 -10.663 776 HA ILE 112 HA ILE 112 -2.063 6.087 -8.393 777 HB ILE 112 HB ILE 112 -2.734 4.115 -7.175 778 1HG1 ILE 112 2HG1 ILE 112 -3.487 2.977 -9.881 779 2HG1 ILE 112 3HG1 ILE 112 -2.243 2.385 -8.798 780 1HG2 ILE 112 1HG2 ILE 112 -4.407 5.806 -7.419 781 2HG2 ILE 112 2HG2 ILE 112 -4.852 5.215 -9.038 782 3HG2 ILE 112 3HG2 ILE 112 -5.195 4.221 -7.602 783 1HD1 ILE 112 1HD1 ILE 112 -4.154 2.133 -7.037 784 2HD1 ILE 112 2HD1 ILE 112 -5.254 2.302 -8.426 785 3HD1 ILE 112 3HD1 ILE 112 -4.089 0.957 -8.372 786 H ILE 113 HN ILE 113 -1.191 3.904 -11.009 787 HA ILE 113 HA ILE 113 0.840 2.449 -9.949 788 HB ILE 113 HB ILE 113 0.653 3.787 -12.648 789 1HG1 ILE 113 2HG1 ILE 113 -1.238 2.328 -12.146 790 2HG1 ILE 113 3HG1 ILE 113 -0.228 1.642 -13.403 791 1HG2 ILE 113 1HG2 ILE 113 2.769 3.146 -12.942 792 2HG2 ILE 113 2HG2 ILE 113 2.775 2.166 -11.456 793 3HG2 ILE 113 3HG2 ILE 113 2.137 1.482 -12.970 794 1HD1 ILE 113 1HD1 ILE 113 0.926 0.233 -11.645 795 2HD1 ILE 113 2HD1 ILE 113 -0.244 0.853 -10.456 796 3HD1 ILE 113 3HD1 ILE 113 -0.807 -0.128 -11.830 797 H GLY 114 HN GLY 114 2.386 3.108 -8.550 798 1HA GLY 114 1HA GLY 114 4.566 4.149 -8.494 799 2HA GLY 114 2HA GLY 114 3.875 5.560 -9.270 800 H ARG 115 HN ARG 115 1.778 4.002 -6.957 801 HA ARG 115 HA ARG 115 2.232 6.243 -5.193 802 1HB ARG 115 2HB ARG 115 -0.056 4.371 -5.754 803 2HB ARG 115 3HB ARG 115 0.054 4.996 -4.120 804 1HG ARG 115 2HG ARG 115 0.342 6.939 -6.416 805 2HG ARG 115 3HG ARG 115 -1.259 6.333 -6.039 806 1HD ARG 115 2HD ARG 115 -1.317 7.367 -3.935 807 2HD ARG 115 3HD ARG 115 0.424 7.323 -3.741 808 HE ARG 115 HE ARG 115 0.616 9.337 -4.964 809 1HH1 ARG 115 2HH2 ARG 115 -2.673 8.100 -5.148 810 2HH1 ARG 115 1HH2 ARG 115 -3.318 9.554 -5.834 811 1HH2 ARG 115 2HH1 ARG 115 -0.234 11.255 -5.868 812 2HH2 ARG 115 1HH1 ARG 115 -1.921 11.361 -6.246 813 H THR 116 HN THR 116 4.366 5.004 -4.619 814 HA THR 116 HA THR 116 4.385 2.582 -3.299 815 HB THR 116 HB THR 116 6.324 4.070 -4.145 816 HG1 THR 116 1HG THR 116 7.606 3.222 -2.273 817 1HG2 THR 116 1HG2 THR 116 6.201 6.165 -3.075 818 2HG2 THR 116 2HG2 THR 116 5.546 5.468 -1.574 819 3HG2 THR 116 3HG2 THR 116 7.276 5.293 -1.956 820 H LEU 117 HN LEU 117 4.255 1.889 -1.155 821 HA LEU 117 HA LEU 117 2.775 3.768 0.543 822 1HB LEU 117 2HB LEU 117 2.649 0.822 0.104 823 2HB LEU 117 3HB LEU 117 2.285 1.432 1.706 824 HG LEU 117 HG LEU 117 0.265 1.108 0.364 825 1HD1 LEU 117 1HD1 LEU 117 0.676 4.075 0.763 826 2HD1 LEU 117 2HD1 LEU 117 -0.826 3.131 0.915 827 3HD1 LEU 117 3HD1 LEU 117 0.476 2.930 2.112 828 1HD2 LEU 117 1HD2 LEU 117 -0.125 1.959 -1.704 829 2HD2 LEU 117 2HD2 LEU 117 0.869 3.409 -1.424 830 3HD2 LEU 117 3HD2 LEU 117 1.650 1.852 -1.794 831 H VAL 118 HN VAL 118 4.861 4.801 1.107 832 HA VAL 118 HA VAL 118 6.622 3.120 2.702 833 HB VAL 118 HB VAL 118 8.221 4.741 2.414 834 1HG1 VAL 118 1HG1 VAL 118 8.432 4.876 0.159 835 2HG1 VAL 118 2HG1 VAL 118 6.980 3.846 0.182 836 3HG1 VAL 118 3HG1 VAL 118 6.821 5.602 -0.059 837 1HG2 VAL 118 1HG2 VAL 118 7.628 7.125 1.693 838 2HG2 VAL 118 2HG2 VAL 118 5.949 6.716 2.117 839 3HG2 VAL 118 3HG2 VAL 118 7.220 6.659 3.362 840 H VAL 119 HN VAL 119 7.508 4.433 4.763 841 HA VAL 119 HA VAL 119 5.137 5.473 6.153 842 HB VAL 119 HB VAL 119 5.974 4.371 8.175 843 1HG1 VAL 119 1HG1 VAL 119 5.123 2.881 5.747 844 2HG1 VAL 119 2HG1 VAL 119 5.737 1.905 7.103 845 3HG1 VAL 119 3HG1 VAL 119 4.358 3.004 7.350 846 1HG2 VAL 119 1HG2 VAL 119 7.721 2.407 7.067 847 2HG2 VAL 119 2HG2 VAL 119 8.337 4.011 6.602 848 3HG2 VAL 119 3HG2 VAL 119 8.069 3.624 8.319 849 H HIS 120 HN HIS 120 5.395 7.534 6.829 850 HA HIS 120 HA HIS 120 8.035 8.668 6.687 851 1HB HIS 120 2HB HIS 120 6.786 10.354 5.949 852 2HB HIS 120 3HB HIS 120 5.306 9.601 6.509 853 HD1 HIS 120 HD1 HIS 120 8.154 10.905 8.706 854 HD2 HIS 120 HD2 HIS 120 4.132 11.709 7.829 855 HE1 HIS 120 HE1 HIS 120 7.413 12.713 10.346 856 H GLU 121 HN GLU 121 9.421 8.516 8.372 857 HA GLU 121 HA GLU 121 9.014 7.478 10.742 858 1HB GLU 121 2HB GLU 121 11.089 8.799 9.600 859 2HB GLU 121 3HB GLU 121 10.650 9.991 10.808 860 1HG GLU 121 2HG GLU 121 10.750 7.182 11.810 861 2HG GLU 121 3HG GLU 121 12.292 7.825 11.280 862 H LYS 122 HN LYS 122 7.710 7.813 12.491 863 HA LYS 122 HA LYS 122 6.491 8.844 14.024 864 1HB LYS 122 2HB LYS 122 8.522 10.578 13.740 865 2HB LYS 122 3HB LYS 122 7.220 11.610 13.184 866 1HG LYS 122 2HG LYS 122 6.405 11.869 15.291 867 2HG LYS 122 3HG LYS 122 6.392 10.140 15.573 868 1HD LYS 122 2HD LYS 122 9.145 10.982 15.567 869 2HD LYS 122 3HD LYS 122 8.260 12.112 16.571 870 1HE LYS 122 2HE LYS 122 8.017 9.082 16.862 871 2HE LYS 122 3HE LYS 122 9.156 10.044 17.784 872 1HZ LYS 122 1HZ LYS 122 6.859 9.584 18.746 873 2HZ LYS 122 2HZ LYS 122 7.463 11.094 18.892 874 3HZ LYS 122 3HZ LYS 122 6.332 10.773 17.758 875 H ALA 123 HN ALA 123 4.377 9.846 14.231 876 HA ALA 123 HA ALA 123 3.045 9.936 11.649 877 1HB ALA 123 1HB ALA 123 1.524 8.792 12.845 878 2HB ALA 123 2HB ALA 123 2.408 9.111 14.357 879 3HB ALA 123 3HB ALA 123 1.202 10.280 13.768 880 H ASP 124 HN ASP 124 0.978 11.623 11.899 881 HA ASP 124 HA ASP 124 2.331 14.147 11.978 882 1HB ASP 124 2HB ASP 124 0.590 13.296 10.214 883 2HB ASP 124 3HB ASP 124 -0.623 13.683 11.418 884 H ASP 125 HN ASP 125 2.622 14.366 14.334 885 HA ASP 125 HA ASP 125 0.677 13.952 16.193 886 1HB ASP 125 2HB ASP 125 3.286 15.029 16.108 887 2HB ASP 125 3HB ASP 125 2.320 16.324 16.785 888 H LEU 126 HN LEU 126 1.002 16.435 13.748 889 HA LEU 126 HA LEU 126 -0.146 18.248 13.233 890 1HB LEU 126 2HB LEU 126 -2.166 16.726 14.845 891 2HB LEU 126 3HB LEU 126 -2.548 18.323 14.235 892 HG LEU 126 HG LEU 126 -1.485 16.273 12.323 893 1HD1 LEU 126 1HD1 LEU 126 -3.088 14.862 13.152 894 2HD1 LEU 126 2HD1 LEU 126 -4.151 16.189 13.678 895 3HD1 LEU 126 3HD1 LEU 126 -4.045 15.765 11.953 896 1HD2 LEU 126 1HD2 LEU 126 -3.110 17.470 10.808 897 2HD2 LEU 126 2HD2 LEU 126 -3.370 18.630 12.133 898 3HD2 LEU 126 3HD2 LEU 126 -1.752 18.448 11.414 899 H GLY 127 HN GLY 127 1.589 18.054 15.766 900 1HA GLY 127 1HA GLY 127 1.654 20.644 16.534 901 2HA GLY 127 2HA GLY 127 0.408 19.975 17.568 902 H LYS 128 HN LYS 128 3.856 20.030 16.797 903 HA LYS 128 HA LYS 128 4.329 18.364 19.171 904 1HB LYS 128 2HB LYS 128 6.072 18.597 16.699 905 2HB LYS 128 3HB LYS 128 6.417 17.631 18.120 906 1HG LYS 128 2HG LYS 128 4.283 16.345 17.731 907 2HG LYS 128 3HG LYS 128 4.007 17.279 16.274 908 1HD LYS 128 2HD LYS 128 5.171 15.625 15.215 909 2HD LYS 128 3HD LYS 128 6.599 16.414 15.856 910 1HE LYS 128 2HE LYS 128 5.143 14.418 17.602 911 2HE LYS 128 3HE LYS 128 6.151 13.816 16.302 912 1HZ LYS 128 1HZ LYS 128 7.073 14.446 18.684 913 2HZ LYS 128 2HZ LYS 128 7.994 14.500 17.337 914 3HZ LYS 128 3HZ LYS 128 7.332 15.870 17.929 915 H GLY 129 HN GLY 129 6.343 20.575 17.122 916 1HA GLY 129 1HA GLY 129 7.268 21.874 19.575 917 2HA GLY 129 2HA GLY 129 7.980 21.984 17.977 918 H GLY 130 HN GLY 130 5.350 22.458 16.606 919 1HA GLY 130 1HA GLY 130 4.117 24.760 17.718 920 2HA GLY 130 2HA GLY 130 5.340 25.228 16.554 921 H ASN 131 HN ASN 131 4.310 25.770 14.672 922 HA ASN 131 HA ASN 131 2.557 23.734 13.578 923 1HB ASN 131 2HB ASN 131 1.925 26.716 13.362 924 2HB ASN 131 3HB ASN 131 0.889 25.378 12.907 925 1HD2 ASN 131 1HD2 ASN 131 2.194 27.285 15.495 926 2HD2 ASN 131 2HD2 ASN 131 1.173 26.718 16.775 927 H GLU 132 HN GLU 132 3.932 23.142 11.854 928 HA GLU 132 HA GLU 132 4.087 24.535 9.601 929 1HB GLU 132 2HB GLU 132 6.035 25.615 11.546 930 2HB GLU 132 3HB GLU 132 6.770 25.158 10.022 931 1HG GLU 132 2HG GLU 132 5.670 26.801 8.832 932 2HG GLU 132 3HG GLU 132 4.195 26.643 9.765 933 H GLN 133 HN GLN 133 5.680 22.416 11.943 934 HA GLN 133 HA GLN 133 7.048 21.037 9.802 935 1HB GLN 133 2HB GLN 133 7.468 21.393 12.663 936 2HB GLN 133 3HB GLN 133 7.465 19.686 12.269 937 1HG GLN 133 2HG GLN 133 9.654 20.034 11.701 938 2HG GLN 133 3HG GLN 133 8.994 20.653 10.201 939 1HE2 GLN 133 1HE2 GLN 133 11.031 21.836 10.190 940 2HE2 GLN 133 2HE2 GLN 133 11.142 23.367 10.992 941 H SER 134 HN SER 134 4.745 20.338 12.527 942 HA SER 134 HA SER 134 4.174 17.782 11.405 943 1HB SER 134 2HB SER 134 2.472 17.706 13.305 944 2HB SER 134 3HB SER 134 4.143 17.905 13.795 945 HG SER 134 HG SER 134 3.795 20.040 14.319 946 H THR 135 HN THR 135 3.025 21.059 11.090 947 HA THR 135 HA THR 135 0.327 20.632 10.524 948 HB THR 135 HB THR 135 0.796 22.845 9.153 949 HG1 THR 135 1HG THR 135 3.120 22.263 8.987 950 1HG2 THR 135 1HG2 THR 135 -0.005 22.816 11.569 951 2HG2 THR 135 2HG2 THR 135 1.699 22.735 12.078 952 3HG2 THR 135 3HG2 THR 135 1.097 24.166 11.207 953 H LYS 136 HN LYS 136 3.222 19.881 8.676 954 HA LYS 136 HA LYS 136 1.498 19.290 6.374 955 1HB LYS 136 2HB LYS 136 3.975 19.180 5.330 956 2HB LYS 136 3HB LYS 136 3.007 20.639 5.377 957 1HG LYS 136 2HG LYS 136 4.127 21.427 7.384 958 2HG LYS 136 3HG LYS 136 4.909 19.879 7.635 959 1HD LYS 136 2HD LYS 136 5.767 20.482 5.080 960 2HD LYS 136 3HD LYS 136 5.633 22.088 5.767 961 1HE LYS 136 2HE LYS 136 6.874 20.619 7.815 962 2HE LYS 136 3HE LYS 136 7.589 19.955 6.359 963 1HZ LYS 136 1HZ LYS 136 7.692 22.520 5.804 964 2HZ LYS 136 2HZ LYS 136 7.792 22.617 7.431 965 3HZ LYS 136 3HZ LYS 136 8.890 21.742 6.596 966 H THR 137 HN THR 137 4.313 18.090 8.321 967 HA THR 137 HA THR 137 3.400 15.368 7.657 968 HB THR 137 HB THR 137 5.895 14.799 7.775 969 HG1 THR 137 1HG THR 137 6.132 17.018 8.943 970 1HG2 THR 137 1HG2 THR 137 5.607 17.014 5.735 971 2HG2 THR 137 2HG2 THR 137 6.326 15.397 5.543 972 3HG2 THR 137 3HG2 THR 137 4.557 15.586 5.576 973 H GLY 138 HN GLY 138 6.067 15.154 9.618 974 1HA GLY 138 1HA GLY 138 4.537 15.491 12.109 975 2HA GLY 138 2HA GLY 138 5.210 13.921 11.716 976 H ASN 139 HN ASN 139 6.602 17.199 11.064 977 HA ASN 139 HA ASN 139 8.628 17.945 11.423 978 1HB ASN 139 2HB ASN 139 7.267 18.151 13.703 979 2HB ASN 139 3HB ASN 139 8.403 16.953 14.290 980 1HD2 ASN 139 1HD2 ASN 139 10.755 17.432 13.662 981 2HD2 ASN 139 2HD2 ASN 139 11.317 19.047 13.937 982 H ALA 140 HN ALA 140 8.654 15.210 10.464 983 HA ALA 140 HA ALA 140 11.175 14.331 11.637 984 1HB ALA 140 1HB ALA 140 9.792 11.957 11.097 985 2HB ALA 140 2HB ALA 140 10.146 12.634 12.704 986 3HB ALA 140 3HB ALA 140 8.591 12.987 11.912 987 H GLY 141 HN GLY 141 8.643 13.593 9.131 988 1HA GLY 141 1HA GLY 141 8.922 12.833 7.002 989 2HA GLY 141 2HA GLY 141 9.844 14.318 6.875 990 H SER 142 HN SER 142 10.263 10.922 8.119 991 HA SER 142 HA SER 142 12.858 10.964 6.791 992 1HB SER 142 2HB SER 142 13.754 10.812 8.875 993 2HB SER 142 3HB SER 142 12.206 10.449 9.611 994 HG SER 142 HG SER 142 14.155 8.663 8.512 995 H ARG 143 HN ARG 143 11.929 9.897 4.935 996 HA ARG 143 HA ARG 143 10.220 7.804 5.005 997 1HB ARG 143 2HB ARG 143 11.889 9.102 3.070 998 2HB ARG 143 3HB ARG 143 12.187 7.385 2.891 999 1HG ARG 143 2HG ARG 143 9.496 7.271 3.059 1000 2HG ARG 143 3HG ARG 143 9.627 8.922 2.487 1001 1HD ARG 143 2HD ARG 143 10.868 6.482 1.123 1002 2HD ARG 143 3HD ARG 143 9.411 7.303 0.597 1003 HE ARG 143 HE ARG 143 11.618 9.169 0.838 1004 1HH1 ARG 143 2HH2 ARG 143 10.274 6.678 -1.252 1005 2HH1 ARG 143 1HH2 ARG 143 10.994 7.318 -2.692 1006 1HH2 ARG 143 2HH1 ARG 143 12.568 10.014 -1.061 1007 2HH2 ARG 143 1HH1 ARG 143 12.307 9.228 -2.582 1008 H LEU 144 HN LEU 144 11.030 5.472 3.972 1009 HA LEU 144 HA LEU 144 13.470 4.581 5.230 1010 1HB LEU 144 2HB LEU 144 10.775 3.503 6.068 1011 2HB LEU 144 3HB LEU 144 12.314 2.752 6.441 1012 HG LEU 144 HG LEU 144 11.500 5.533 7.331 1013 1HD1 LEU 144 1HD1 LEU 144 11.763 3.746 9.525 1014 2HD1 LEU 144 2HD1 LEU 144 10.313 4.608 8.957 1015 3HD1 LEU 144 3HD1 LEU 144 10.685 2.984 8.331 1016 1HD2 LEU 144 1HD2 LEU 144 14.042 4.313 7.188 1017 2HD2 LEU 144 2HD2 LEU 144 13.595 5.840 7.986 1018 3HD2 LEU 144 3HD2 LEU 144 13.574 4.315 8.905 1019 H ALA 145 HN ALA 145 10.418 3.008 4.049 1020 HA ALA 145 HA ALA 145 12.085 1.673 2.035 1021 1HB ALA 145 1HB ALA 145 9.375 0.631 2.476 1022 2HB ALA 145 2HB ALA 145 10.941 -0.214 2.512 1023 3HB ALA 145 3HB ALA 145 10.358 0.642 3.959 1024 H CYS 146 HN CYS 146 10.554 1.015 0.033 1025 HA CYS 146 HA CYS 146 8.647 3.062 -0.591 1026 1HB CYS 146 2HB CYS 146 9.760 3.887 -2.580 1027 2HB CYS 146 3HB CYS 146 10.684 4.251 -1.137 1028 H GLY 147 HN GLY 147 7.536 0.859 -0.442 1029 1HA GLY 147 1HA GLY 147 8.058 -1.342 -1.968 1030 2HA GLY 147 2HA GLY 147 6.453 -0.789 -1.532 1031 H VAL 148 HN VAL 148 6.022 1.519 -2.934 1032 HA VAL 148 HA VAL 148 5.486 2.334 -4.917 1033 HB VAL 148 HB VAL 148 7.974 0.817 -5.683 1034 1HG1 VAL 148 1HG1 VAL 148 7.929 1.828 -7.872 1035 2HG1 VAL 148 2HG1 VAL 148 6.409 0.934 -7.632 1036 3HG1 VAL 148 3HG1 VAL 148 6.431 2.708 -7.487 1037 1HG2 VAL 148 1HG2 VAL 148 7.541 3.806 -5.702 1038 2HG2 VAL 148 2HG2 VAL 148 7.973 2.938 -4.209 1039 3HG2 VAL 148 3HG2 VAL 148 9.066 2.892 -5.613 1040 H ILE 149 HN ILE 149 3.737 1.814 -6.143 1041 HA ILE 149 HA ILE 149 2.859 -0.872 -6.181 1042 HB ILE 149 HB ILE 149 1.788 1.416 -7.822 1043 1HG1 ILE 149 2HG1 ILE 149 1.930 2.401 -5.703 1044 2HG1 ILE 149 3HG1 ILE 149 0.286 1.801 -5.795 1045 1HG2 ILE 149 1HG2 ILE 149 -0.042 -0.490 -6.533 1046 2HG2 ILE 149 2HG2 ILE 149 -0.019 0.148 -8.195 1047 3HG2 ILE 149 3HG2 ILE 149 1.037 -1.214 -7.750 1048 1HD1 ILE 149 1HD1 ILE 149 1.131 1.167 -3.628 1049 2HD1 ILE 149 2HD1 ILE 149 1.094 -0.320 -4.607 1050 3HD1 ILE 149 3HD1 ILE 149 2.635 0.527 -4.331 1051 H GLY 150 HN GLY 150 2.709 -2.356 -7.909 1052 1HA GLY 150 1HA GLY 150 3.875 -1.636 -10.472 1053 2HA GLY 150 2HA GLY 150 4.791 -2.788 -9.520 1054 H ILE 151 HN ILE 151 2.205 -2.375 -11.738 1055 HA ILE 151 HA ILE 151 0.365 -4.260 -11.126 1056 HB ILE 151 HB ILE 151 1.558 -3.335 -13.714 1057 1HG1 ILE 151 2HG1 ILE 151 0.113 -1.801 -12.464 1058 2HG1 ILE 151 3HG1 ILE 151 -0.603 -2.265 -13.994 1059 1HG2 ILE 151 1HG2 ILE 151 -0.323 -5.632 -13.304 1060 2HG2 ILE 151 2HG2 ILE 151 -0.527 -4.568 -14.717 1061 3HG2 ILE 151 3HG2 ILE 151 1.007 -5.436 -14.470 1062 1HD1 ILE 151 1HD1 ILE 151 -2.442 -2.604 -12.632 1063 2HD1 ILE 151 2HD1 ILE 151 -1.691 -4.209 -12.464 1064 3HD1 ILE 151 3HD1 ILE 151 -1.446 -2.976 -11.204 1065 H ALA 152 HN ALA 152 0.085 -6.523 -11.515 1066 HA ALA 152 HA ALA 152 2.568 -7.970 -12.086 1067 1HB ALA 152 1HB ALA 152 2.384 -7.890 -9.660 1068 2HB ALA 152 2HB ALA 152 0.685 -8.414 -9.735 1069 3HB ALA 152 3HB ALA 152 1.984 -9.532 -10.216 1070 H GLN 153 HN GLN 153 1.996 -10.409 -12.446 1071 HA GLN 153 HA GLN 153 0.096 -10.446 -14.496 1072 1HB GLN 153 2HB GLN 153 0.601 -12.922 -14.533 1073 2HB GLN 153 3HB GLN 153 2.020 -11.898 -14.631 1074 1HG GLN 153 2HG GLN 153 1.584 -12.275 -11.851 1075 2HG GLN 153 3HG GLN 153 1.286 -13.845 -12.569 1076 1HE2 GLN 153 1HE2 GLN 153 2.956 -15.105 -12.814 1077 2HE2 GLN 153 2HE2 GLN 153 4.616 -14.637 -12.981 Start of MODEL 29 1 1H ALA 1 HN ALA 1 -6.411 -8.491 -16.574 2 HA ALA 1 HA ALA 1 -8.005 -7.806 -14.715 3 1HB ALA 1 1HB ALA 1 -6.051 -9.595 -13.214 4 2HB ALA 1 2HB ALA 1 -7.370 -8.634 -12.504 5 3HB ALA 1 3HB ALA 1 -7.745 -10.008 -13.572 6 H THR 2 HN THR 2 -6.646 -6.703 -12.556 7 HA THR 2 HA THR 2 -4.115 -5.667 -13.481 8 HB THR 2 HB THR 2 -6.297 -3.628 -12.960 9 HG1 THR 2 1HG THR 2 -6.884 -3.888 -15.187 10 1HG2 THR 2 1HG2 THR 2 -3.922 -2.875 -13.295 11 2HG2 THR 2 2HG2 THR 2 -3.891 -3.731 -14.856 12 3HG2 THR 2 3HG2 THR 2 -4.974 -2.337 -14.626 13 H LYS 3 HN LYS 3 -3.197 -6.552 -11.634 14 HA LYS 3 HA LYS 3 -4.112 -5.266 -9.155 15 1HB LYS 3 2HB LYS 3 -4.736 -7.568 -9.014 16 2HB LYS 3 3HB LYS 3 -3.183 -8.108 -9.619 17 1HG LYS 3 2HG LYS 3 -2.501 -6.512 -7.405 18 2HG LYS 3 3HG LYS 3 -3.956 -7.336 -6.880 19 1HD LYS 3 2HD LYS 3 -1.592 -8.791 -8.149 20 2HD LYS 3 3HD LYS 3 -1.756 -8.569 -6.419 21 1HE LYS 3 2HE LYS 3 -3.818 -9.858 -6.358 22 2HE LYS 3 3HE LYS 3 -3.942 -9.866 -8.106 23 1HZ LYS 3 1HZ LYS 3 -1.516 -10.952 -6.982 24 2HZ LYS 3 2HZ LYS 3 -2.875 -11.831 -6.765 25 3HZ LYS 3 3HZ LYS 3 -2.379 -11.452 -8.274 26 H ALA 4 HN ALA 4 -2.596 -4.112 -8.046 27 HA ALA 4 HA ALA 4 0.099 -4.153 -9.185 28 1HB ALA 4 1HB ALA 4 -0.555 -2.074 -7.209 29 2HB ALA 4 2HB ALA 4 0.097 -1.917 -8.858 30 3HB ALA 4 3HB ALA 4 -1.657 -2.082 -8.606 31 H VAL 5 HN VAL 5 1.948 -3.976 -7.634 32 HA VAL 5 HA VAL 5 1.336 -5.026 -4.985 33 HB VAL 5 HB VAL 5 3.541 -6.272 -6.585 34 1HG1 VAL 5 1HG1 VAL 5 2.343 -6.613 -3.977 35 2HG1 VAL 5 2HG1 VAL 5 2.232 -8.125 -4.909 36 3HG1 VAL 5 3HG1 VAL 5 3.815 -7.352 -4.652 37 1HG2 VAL 5 1HG2 VAL 5 1.597 -6.544 -8.020 38 2HG2 VAL 5 2HG2 VAL 5 2.001 -8.098 -7.251 39 3HG2 VAL 5 3HG2 VAL 5 0.630 -7.136 -6.647 40 H ALA 6 HN ALA 6 3.099 -4.667 -3.443 41 HA ALA 6 HA ALA 6 5.313 -3.059 -4.358 42 1HB ALA 6 1HB ALA 6 4.543 -1.386 -2.405 43 2HB ALA 6 2HB ALA 6 4.020 -1.173 -4.093 44 3HB ALA 6 3HB ALA 6 2.934 -1.949 -2.915 45 H VAL 7 HN VAL 7 6.637 -4.748 -3.581 46 HA VAL 7 HA VAL 7 6.258 -5.676 -0.884 47 HB VAL 7 HB VAL 7 6.918 -7.245 -2.558 48 1HG1 VAL 7 1HG1 VAL 7 8.194 -6.667 -4.291 49 2HG1 VAL 7 2HG1 VAL 7 8.542 -5.097 -3.528 50 3HG1 VAL 7 3HG1 VAL 7 9.593 -6.497 -3.204 51 1HG2 VAL 7 1HG2 VAL 7 9.173 -8.007 -1.609 52 2HG2 VAL 7 2HG2 VAL 7 9.088 -6.569 -0.562 53 3HG2 VAL 7 3HG2 VAL 7 7.827 -7.822 -0.458 54 H LEU 8 HN LEU 8 6.534 -3.869 0.475 55 HA LEU 8 HA LEU 8 8.290 -1.862 0.327 56 1HB LEU 8 2HB LEU 8 7.262 -3.438 2.662 57 2HB LEU 8 3HB LEU 8 8.393 -2.124 2.915 58 HG LEU 8 HG LEU 8 5.807 -1.727 3.064 59 1HD1 LEU 8 1HD1 LEU 8 6.126 0.614 2.459 60 2HD1 LEU 8 2HD1 LEU 8 7.529 -0.008 3.359 61 3HD1 LEU 8 3HD1 LEU 8 7.626 0.202 1.594 62 1HD2 LEU 8 1HD2 LEU 8 6.302 -1.773 0.095 63 2HD2 LEU 8 2HD2 LEU 8 4.981 -2.509 1.034 64 3HD2 LEU 8 3HD2 LEU 8 5.035 -0.745 0.804 65 H LYS 9 HN LYS 9 10.458 -1.570 0.233 66 HA LYS 9 HA LYS 9 12.118 -3.906 0.347 67 1HB LYS 9 2HB LYS 9 12.401 -2.178 -1.386 68 2HB LYS 9 3HB LYS 9 12.794 -0.992 -0.158 69 1HG LYS 9 2HG LYS 9 14.960 -1.632 -0.448 70 2HG LYS 9 3HG LYS 9 14.541 -3.061 0.476 71 1HD LYS 9 2HD LYS 9 14.683 -4.419 -1.351 72 2HD LYS 9 3HD LYS 9 13.739 -3.326 -2.344 73 1HE LYS 9 2HE LYS 9 15.615 -2.180 -3.128 74 2HE LYS 9 3HE LYS 9 16.536 -2.455 -1.663 75 1HZ LYS 9 1HZ LYS 9 16.715 -3.873 -3.972 76 2HZ LYS 9 2HZ LYS 9 17.391 -4.272 -2.540 77 3HZ LYS 9 3HZ LYS 9 15.936 -4.887 -2.956 78 H GLY 10 HN GLY 10 11.419 -1.020 2.348 79 1HA GLY 10 1HA GLY 10 11.957 -0.522 4.471 80 2HA GLY 10 2HA GLY 10 12.190 -2.238 4.736 81 H ASP 11 HN ASP 11 13.715 0.670 5.044 82 HA ASP 11 HA ASP 11 16.066 0.710 3.904 83 1HB ASP 11 2HB ASP 11 15.090 2.034 5.971 84 2HB ASP 11 3HB ASP 11 15.975 0.869 6.935 85 H GLY 12 HN GLY 12 14.921 -1.684 6.288 86 1HA GLY 12 1HA GLY 12 16.991 -3.529 5.621 87 2HA GLY 12 2HA GLY 12 17.262 -2.814 7.198 88 HA PRO 13 HA PRO 13 14.118 -5.274 8.915 89 1HB PRO 13 2HB PRO 13 12.688 -3.650 10.583 90 2HB PRO 13 3HB PRO 13 14.262 -4.301 10.997 91 1HG PRO 13 2HG PRO 13 13.551 -1.551 10.177 92 2HG PRO 13 3HG PRO 13 14.997 -2.115 10.989 93 1HD PRO 13 2HD PRO 13 14.748 -1.410 8.220 94 2HD PRO 13 3HD PRO 13 16.162 -2.083 9.007 95 H VAL 14 HN VAL 14 12.403 -2.250 8.249 96 HA VAL 14 HA VAL 14 9.925 -3.148 7.911 97 HB VAL 14 HB VAL 14 11.517 -1.182 6.277 98 1HG1 VAL 14 1HG1 VAL 14 9.906 -1.101 4.736 99 2HG1 VAL 14 2HG1 VAL 14 8.934 -2.300 5.623 100 3HG1 VAL 14 3HG1 VAL 14 8.777 -0.568 6.004 101 1HG2 VAL 14 1HG2 VAL 14 9.301 -0.666 8.274 102 2HG2 VAL 14 2HG2 VAL 14 11.012 -0.803 8.744 103 3HG2 VAL 14 3HG2 VAL 14 10.497 0.482 7.626 104 H GLN 15 HN GLN 15 8.655 -4.237 6.374 105 HA GLN 15 HA GLN 15 9.695 -4.984 3.887 106 1HB GLN 15 2HB GLN 15 10.640 -6.612 5.947 107 2HB GLN 15 3HB GLN 15 9.260 -7.513 5.352 108 1HG GLN 15 2HG GLN 15 10.751 -6.465 3.088 109 2HG GLN 15 3HG GLN 15 11.857 -7.296 4.164 110 1HE2 GLN 15 1HE2 GLN 15 8.409 -7.871 3.558 111 2HE2 GLN 15 2HE2 GLN 15 8.552 -9.488 2.955 112 H GLY 16 HN GLY 16 7.376 -3.655 4.716 113 1HA GLY 16 1HA GLY 16 5.131 -5.241 5.190 114 2HA GLY 16 2HA GLY 16 5.146 -3.654 4.448 115 H ILE 17 HN ILE 17 3.250 -5.434 3.558 116 HA ILE 17 HA ILE 17 4.196 -5.922 0.848 117 HB ILE 17 HB ILE 17 2.906 -8.002 2.612 118 1HG1 ILE 17 2HG1 ILE 17 5.391 -7.677 2.781 119 2HG1 ILE 17 3HG1 ILE 17 4.879 -9.282 2.299 120 1HG2 ILE 17 1HG2 ILE 17 3.257 -9.361 0.370 121 2HG2 ILE 17 2HG2 ILE 17 1.770 -8.432 0.676 122 3HG2 ILE 17 3HG2 ILE 17 3.046 -7.752 -0.362 123 1HD1 ILE 17 1HD1 ILE 17 6.139 -7.111 0.608 124 2HD1 ILE 17 2HD1 ILE 17 6.599 -8.824 0.760 125 3HD1 ILE 17 3HD1 ILE 17 5.145 -8.370 -0.162 126 H ILE 18 HN ILE 18 2.978 -4.287 -0.048 127 HA ILE 18 HA ILE 18 0.098 -4.421 0.521 128 HB ILE 18 HB ILE 18 0.654 -2.356 1.295 129 1HG1 ILE 18 2HG1 ILE 18 -0.031 -0.670 -0.334 130 2HG1 ILE 18 3HG1 ILE 18 0.261 -1.783 -1.657 131 1HG2 ILE 18 1HG2 ILE 18 2.882 -2.439 -0.707 132 2HG2 ILE 18 2HG2 ILE 18 2.336 -0.871 -0.065 133 3HG2 ILE 18 3HG2 ILE 18 2.928 -2.131 1.045 134 1HD1 ILE 18 1HD1 ILE 18 -1.793 -2.696 -1.402 135 2HD1 ILE 18 2HD1 ILE 18 -1.450 -3.073 0.303 136 3HD1 ILE 18 3HD1 ILE 18 -2.130 -1.488 -0.139 137 H ASN 19 HN ASN 19 -1.334 -4.578 -1.203 138 HA ASN 19 HA ASN 19 -0.143 -4.486 -3.842 139 1HB ASN 19 2HB ASN 19 -2.142 -6.676 -3.387 140 2HB ASN 19 3HB ASN 19 -0.725 -6.669 -4.419 141 1HD2 ASN 19 1HD2 ASN 19 -2.018 -8.136 -1.879 142 2HD2 ASN 19 2HD2 ASN 19 -0.623 -8.586 -0.955 143 H PHE 20 HN PHE 20 -1.785 -4.027 -5.526 144 HA PHE 20 HA PHE 20 -4.275 -3.004 -4.366 145 1HB PHE 20 2HB PHE 20 -2.481 -2.327 -6.750 146 2HB PHE 20 3HB PHE 20 -4.149 -1.788 -6.750 147 HD1 PHE 20 1HD PHE 20 -2.739 -1.926 -3.469 148 HD2 PHE 20 2HD PHE 20 -3.025 0.494 -6.944 149 HE1 PHE 20 1HE PHE 20 -2.089 0.089 -2.120 150 HE2 PHE 20 2HE PHE 20 -2.375 2.508 -5.595 151 HZ PHE 20 HZ PHE 20 -1.915 2.282 -3.199 152 H GLU 21 HN GLU 21 -6.268 -3.641 -5.194 153 HA GLU 21 HA GLU 21 -6.100 -5.622 -7.331 154 1HB GLU 21 2HB GLU 21 -6.710 -6.429 -4.936 155 2HB GLU 21 3HB GLU 21 -8.240 -5.606 -5.173 156 1HG GLU 21 2HG GLU 21 -8.574 -7.904 -5.842 157 2HG GLU 21 3HG GLU 21 -8.561 -6.948 -7.310 158 H GLN 22 HN GLN 22 -7.385 -5.273 -9.123 159 HA GLN 22 HA GLN 22 -9.647 -3.520 -8.836 160 1HB GLN 22 2HB GLN 22 -7.746 -1.991 -9.355 161 2HB GLN 22 3HB GLN 22 -7.393 -2.915 -10.802 162 1HG GLN 22 2HG GLN 22 -10.153 -2.345 -11.004 163 2HG GLN 22 3HG GLN 22 -9.458 -0.871 -10.360 164 1HE2 GLN 22 1HE2 GLN 22 -9.784 0.285 -12.219 165 2HE2 GLN 22 2HE2 GLN 22 -8.869 0.060 -13.672 166 H LYS 23 HN LYS 23 -10.352 -5.920 -9.153 167 HA LYS 23 HA LYS 23 -10.010 -6.973 -11.787 168 1HB LYS 23 2HB LYS 23 -11.437 -7.799 -9.283 169 2HB LYS 23 3HB LYS 23 -11.902 -8.543 -10.800 170 1HG LYS 23 2HG LYS 23 -9.296 -8.875 -11.142 171 2HG LYS 23 3HG LYS 23 -9.207 -8.615 -9.412 172 1HD LYS 23 2HD LYS 23 -10.272 -10.611 -8.907 173 2HD LYS 23 3HD LYS 23 -11.306 -10.547 -10.321 174 1HE LYS 23 2HE LYS 23 -9.312 -11.117 -11.765 175 2HE LYS 23 3HE LYS 23 -8.333 -11.258 -10.318 176 1HZ LYS 23 1HZ LYS 23 -9.173 -13.380 -10.993 177 2HZ LYS 23 2HZ LYS 23 -9.836 -12.983 -9.555 178 3HZ LYS 23 3HZ LYS 23 -10.720 -12.862 -10.922 179 H GLU 24 HN GLU 24 -10.786 -4.572 -12.463 180 HA GLU 24 HA GLU 24 -13.401 -5.039 -13.504 181 1HB GLU 24 2HB GLU 24 -13.123 -3.448 -11.143 182 2HB GLU 24 3HB GLU 24 -13.457 -2.337 -12.456 183 1HG GLU 24 2HG GLU 24 -15.095 -4.875 -12.096 184 2HG GLU 24 3HG GLU 24 -15.484 -3.415 -11.207 185 H SER 25 HN SER 25 -10.634 -2.766 -13.031 186 HA SER 25 HA SER 25 -9.350 -1.866 -14.586 187 1HB SER 25 2HB SER 25 -10.550 -3.669 -16.194 188 2HB SER 25 3HB SER 25 -11.286 -2.224 -16.860 189 HG SER 25 HG SER 25 -9.182 -1.362 -17.284 190 H ASN 26 HN ASN 26 -12.612 -1.196 -13.831 191 HA ASN 26 HA ASN 26 -12.134 1.586 -14.233 192 1HB ASN 26 2HB ASN 26 -13.479 0.246 -16.290 193 2HB ASN 26 3HB ASN 26 -14.806 0.831 -15.306 194 1HD2 ASN 26 1HD2 ASN 26 -13.327 1.547 -17.958 195 2HD2 ASN 26 2HD2 ASN 26 -13.229 3.276 -17.927 196 H GLY 27 HN GLY 27 -12.629 -0.505 -12.078 197 1HA GLY 27 1HA GLY 27 -15.120 0.618 -10.938 198 2HA GLY 27 2HA GLY 27 -14.623 -1.051 -10.735 199 HA PRO 28 HA PRO 28 -12.904 1.055 -7.160 200 1HB PRO 28 2HB PRO 28 -13.556 -0.852 -5.315 201 2HB PRO 28 3HB PRO 28 -14.588 0.515 -5.685 202 1HG PRO 28 2HG PRO 28 -14.898 -2.313 -6.489 203 2HG PRO 28 3HG PRO 28 -16.099 -1.037 -6.477 204 1HD PRO 28 2HD PRO 28 -14.733 -2.087 -8.770 205 2HD PRO 28 3HD PRO 28 -15.847 -0.734 -8.742 206 H VAL 29 HN VAL 29 -10.935 0.888 -6.089 207 HA VAL 29 HA VAL 29 -9.443 -1.453 -7.041 208 HB VAL 29 HB VAL 29 -8.421 1.237 -6.112 209 1HG1 VAL 29 1HG1 VAL 29 -7.046 -1.111 -6.221 210 2HG1 VAL 29 2HG1 VAL 29 -6.781 -0.492 -7.869 211 3HG1 VAL 29 3HG1 VAL 29 -6.314 0.494 -6.462 212 1HG2 VAL 29 1HG2 VAL 29 -8.115 0.591 -8.955 213 2HG2 VAL 29 2HG2 VAL 29 -9.815 0.749 -8.453 214 3HG2 VAL 29 3HG2 VAL 29 -8.676 2.088 -8.172 215 H LYS 30 HN LYS 30 -10.114 -2.896 -5.375 216 HA LYS 30 HA LYS 30 -10.047 -2.191 -2.660 217 1HB LYS 30 2HB LYS 30 -9.842 -4.942 -3.920 218 2HB LYS 30 3HB LYS 30 -10.290 -4.587 -2.264 219 1HG LYS 30 2HG LYS 30 -12.313 -3.410 -2.989 220 2HG LYS 30 3HG LYS 30 -11.827 -3.509 -4.670 221 1HD LYS 30 2HD LYS 30 -12.351 -5.779 -4.845 222 2HD LYS 30 3HD LYS 30 -12.027 -6.099 -3.152 223 1HE LYS 30 2HE LYS 30 -14.174 -5.594 -2.508 224 2HE LYS 30 3HE LYS 30 -14.283 -4.218 -3.586 225 1HZ LYS 30 1HZ LYS 30 -15.348 -6.713 -3.971 226 2HZ LYS 30 2HZ LYS 30 -15.353 -5.467 -5.026 227 3HZ LYS 30 3HZ LYS 30 -14.158 -6.578 -5.081 228 H VAL 31 HN VAL 31 -8.129 -1.154 -2.072 229 HA VAL 31 HA VAL 31 -5.655 -2.619 -2.572 230 HB VAL 31 HB VAL 31 -6.348 0.192 -1.753 231 1HG1 VAL 31 1HG1 VAL 31 -3.914 0.641 -1.542 232 2HG1 VAL 31 2HG1 VAL 31 -4.528 -0.453 -0.280 233 3HG1 VAL 31 3HG1 VAL 31 -3.605 -1.108 -1.654 234 1HG2 VAL 31 1HG2 VAL 31 -6.303 0.228 -4.033 235 2HG2 VAL 31 2HG2 VAL 31 -4.559 0.435 -3.739 236 3HG2 VAL 31 3HG2 VAL 31 -5.208 -1.171 -4.147 237 H TRP 32 HN TRP 32 -4.421 -3.534 -0.939 238 HA TRP 32 HA TRP 32 -5.011 -2.976 1.805 239 1HB TRP 32 2HB TRP 32 -5.802 -5.105 2.476 240 2HB TRP 32 3HB TRP 32 -6.858 -4.514 1.209 241 HD1 TRP 32 HD1 TRP 32 -4.206 -7.248 1.826 242 HE1 TRP 32 HE1 TRP 32 -4.342 -9.141 -0.008 243 HE3 TRP 32 HE3 TRP 32 -7.575 -4.861 -1.141 244 HZ2 TRP 32 HZ2 TRP 32 -5.810 -9.420 -2.439 245 HZ3 TRP 32 HZ3 TRP 32 -8.307 -6.013 -3.227 246 HH2 TRP 32 HH2 TRP 32 -7.481 -8.214 -3.892 247 H GLY 33 HN GLY 33 -3.264 -3.702 3.137 248 1HA GLY 33 1HA GLY 33 -1.227 -5.416 1.991 249 2HA GLY 33 2HA GLY 33 -0.759 -3.737 2.170 250 H SER 34 HN SER 34 0.851 -5.015 3.667 251 HA SER 34 HA SER 34 -0.082 -4.549 6.318 252 1HB SER 34 2HB SER 34 -0.840 -6.810 6.235 253 2HB SER 34 3HB SER 34 0.566 -7.345 5.337 254 HG SER 34 HG SER 34 0.203 -7.242 8.044 255 H ILE 35 HN ILE 35 1.604 -3.564 7.381 256 HA ILE 35 HA ILE 35 4.206 -3.661 6.135 257 HB ILE 35 HB ILE 35 2.697 -1.819 7.709 258 1HG1 ILE 35 2HG1 ILE 35 5.306 -0.862 6.920 259 2HG1 ILE 35 3HG1 ILE 35 4.625 -1.845 5.639 260 1HG2 ILE 35 1HG2 ILE 35 4.052 -2.871 9.580 261 2HG2 ILE 35 2HG2 ILE 35 5.494 -2.188 8.791 262 3HG2 ILE 35 3HG2 ILE 35 4.207 -1.109 9.379 263 1HD1 ILE 35 1HD1 ILE 35 2.736 -0.456 5.379 264 2HD1 ILE 35 2HD1 ILE 35 2.889 0.220 7.019 265 3HD1 ILE 35 3HD1 ILE 35 4.028 0.714 5.742 266 H LYS 36 HN LYS 36 6.188 -3.950 7.571 267 HA LYS 36 HA LYS 36 5.806 -5.546 9.917 268 1HB LYS 36 2HB LYS 36 6.921 -6.840 7.411 269 2HB LYS 36 3HB LYS 36 7.032 -7.522 9.021 270 1HG LYS 36 2HG LYS 36 4.447 -7.290 9.130 271 2HG LYS 36 3HG LYS 36 4.507 -6.977 7.407 272 1HD LYS 36 2HD LYS 36 5.296 -9.151 6.897 273 2HD LYS 36 3HD LYS 36 5.930 -9.412 8.510 274 1HE LYS 36 2HE LYS 36 3.446 -9.276 9.311 275 2HE LYS 36 3HE LYS 36 3.019 -9.451 7.620 276 1HZ LYS 36 1HZ LYS 36 4.971 -11.333 8.500 277 2HZ LYS 36 2HZ LYS 36 3.544 -11.473 9.283 278 3HZ LYS 36 3HZ LYS 36 3.596 -11.578 7.654 279 H GLY 37 HN GLY 37 7.175 -4.440 11.216 280 1HA GLY 37 1HA GLY 37 9.766 -4.557 11.417 281 2HA GLY 37 2HA GLY 37 9.685 -3.439 10.070 282 H LEU 38 HN LEU 38 7.535 -1.793 10.622 283 HA LEU 38 HA LEU 38 8.581 0.004 12.425 284 1HB LEU 38 2HB LEU 38 5.988 -0.373 11.027 285 2HB LEU 38 3HB LEU 38 6.002 0.732 12.386 286 HG LEU 38 HG LEU 38 8.178 1.639 11.060 287 1HD1 LEU 38 1HD1 LEU 38 8.347 0.942 8.964 288 2HD1 LEU 38 2HD1 LEU 38 6.950 -0.135 9.204 289 3HD1 LEU 38 3HD1 LEU 38 6.701 1.528 8.622 290 1HD2 LEU 38 1HD2 LEU 38 5.523 2.485 11.549 291 2HD2 LEU 38 2HD2 LEU 38 6.945 3.479 11.149 292 3HD2 LEU 38 3HD2 LEU 38 5.888 2.874 9.850 293 H THR 39 HN THR 39 6.605 0.814 14.213 294 HA THR 39 HA THR 39 6.129 -1.528 15.908 295 HB THR 39 HB THR 39 7.058 -0.172 17.843 296 HG1 THR 39 1HG THR 39 6.792 1.888 16.630 297 1HG2 THR 39 1HG2 THR 39 9.296 -0.113 15.844 298 2HG2 THR 39 2HG2 THR 39 9.256 -0.830 17.473 299 3HG2 THR 39 3HG2 THR 39 8.523 -1.696 16.101 300 H GLU 40 HN GLU 40 4.340 -1.381 17.284 301 HA GLU 40 HA GLU 40 2.160 -0.219 16.382 302 1HB GLU 40 2HB GLU 40 1.162 -0.559 18.530 303 2HB GLU 40 3HB GLU 40 2.419 -1.773 18.391 304 1HG GLU 40 2HG GLU 40 3.982 -0.210 19.653 305 2HG GLU 40 3HG GLU 40 2.629 0.878 19.893 306 H GLY 41 HN GLY 41 1.277 1.809 16.148 307 1HA GLY 41 1HA GLY 41 1.233 3.943 17.710 308 2HA GLY 41 2HA GLY 41 2.867 4.067 17.090 309 H LEU 42 HN LEU 42 2.924 5.598 15.500 310 HA LEU 42 HA LEU 42 0.618 5.786 13.723 311 1HB LEU 42 2HB LEU 42 2.840 7.627 14.523 312 2HB LEU 42 3HB LEU 42 2.012 7.881 12.999 313 HG LEU 42 HG LEU 42 -0.005 8.432 14.016 314 1HD1 LEU 42 1HD1 LEU 42 -0.471 8.010 16.454 315 2HD1 LEU 42 2HD1 LEU 42 -0.364 6.557 15.432 316 3HD1 LEU 42 3HD1 LEU 42 0.997 7.004 16.487 317 1HD2 LEU 42 1HD2 LEU 42 1.744 10.135 14.394 318 2HD2 LEU 42 2HD2 LEU 42 0.482 10.149 15.650 319 3HD2 LEU 42 3HD2 LEU 42 2.069 9.420 15.992 320 H HIS 43 HN HIS 43 1.446 6.561 11.355 321 HA HIS 43 HA HIS 43 3.774 5.093 10.538 322 1HB HIS 43 2HB HIS 43 1.145 3.906 10.367 323 2HB HIS 43 3HB HIS 43 1.785 4.166 8.756 324 HD1 HIS 43 HD1 HIS 43 3.724 2.674 7.975 325 HD2 HIS 43 HD2 HIS 43 2.708 2.120 12.007 326 HE1 HIS 43 HE1 HIS 43 4.980 0.593 8.750 327 H GLY 44 HN GLY 44 4.797 6.553 9.271 328 1HA GLY 44 1HA GLY 44 3.556 8.826 8.199 329 2HA GLY 44 2HA GLY 44 5.144 8.207 7.790 330 H PHE 45 HN PHE 45 1.818 8.531 6.791 331 HA PHE 45 HA PHE 45 1.984 6.535 4.737 332 1HB PHE 45 2HB PHE 45 -0.107 7.309 6.017 333 2HB PHE 45 3HB PHE 45 0.051 8.875 5.247 334 HD1 PHE 45 1HD PHE 45 0.145 5.332 4.046 335 HD2 PHE 45 2HD PHE 45 -1.518 9.211 3.607 336 HE1 PHE 45 1HE PHE 45 -1.235 4.521 2.113 337 HE2 PHE 45 2HE PHE 45 -2.898 8.401 1.673 338 HZ PHE 45 HZ PHE 45 -2.740 6.065 0.949 339 H HIS 46 HN HIS 46 4.168 7.759 4.076 340 HA HIS 46 HA HIS 46 3.973 10.184 2.734 341 1HB HIS 46 2HB HIS 46 5.926 7.905 2.307 342 2HB HIS 46 3HB HIS 46 6.138 9.548 1.737 343 HD1 HIS 46 HD1 HIS 46 8.403 9.110 3.327 344 HD2 HIS 46 HD2 HIS 46 4.734 9.780 5.247 345 HE1 HIS 46 HE1 HIS 46 8.963 9.804 5.717 346 H VAL 47 HN VAL 47 4.651 10.238 0.216 347 HA VAL 47 HA VAL 47 3.314 8.202 -1.315 348 HB VAL 47 HB VAL 47 2.219 10.999 -1.038 349 1HG1 VAL 47 1HG1 VAL 47 1.708 11.016 -3.210 350 2HG1 VAL 47 2HG1 VAL 47 2.382 9.383 -3.428 351 3HG1 VAL 47 3HG1 VAL 47 0.683 9.587 -2.938 352 1HG2 VAL 47 1HG2 VAL 47 0.059 9.674 -0.791 353 2HG2 VAL 47 2HG2 VAL 47 1.078 8.221 -0.651 354 3HG2 VAL 47 3HG2 VAL 47 1.228 9.532 0.544 355 H HIS 48 HN HIS 48 5.887 8.396 -1.491 356 HA HIS 48 HA HIS 48 7.512 8.673 -2.951 357 1HB HIS 48 2HB HIS 48 5.188 9.343 -4.522 358 2HB HIS 48 3HB HIS 48 6.521 10.383 -4.981 359 HD1 HIS 48 HD1 HIS 48 5.215 6.965 -5.393 360 HD2 HIS 48 HD2 HIS 48 8.907 8.902 -5.848 361 HE1 HIS 48 HE1 HIS 48 6.669 5.409 -6.798 362 H GLU 49 HN GLU 49 8.954 10.511 -3.939 363 HA GLU 49 HA GLU 49 8.420 13.108 -2.958 364 1HB GLU 49 2HB GLU 49 10.296 13.269 -1.372 365 2HB GLU 49 3HB GLU 49 9.155 12.049 -0.844 366 1HG GLU 49 2HG GLU 49 10.582 10.254 -1.451 367 2HG GLU 49 3HG GLU 49 11.500 11.231 -2.580 368 H GLU 50 HN GLU 50 10.760 14.404 -3.152 369 HA GLU 50 HA GLU 50 11.350 14.201 -5.866 370 1HB GLU 50 2HB GLU 50 11.645 16.132 -3.947 371 2HB GLU 50 3HB GLU 50 13.308 15.598 -4.096 372 1HG GLU 50 2HG GLU 50 13.067 15.868 -6.635 373 2HG GLU 50 3HG GLU 50 11.510 16.616 -6.342 374 H GLU 51 HN GLU 51 13.419 13.674 -6.910 375 HA GLU 51 HA GLU 51 15.092 11.953 -5.265 376 1HB GLU 51 2HB GLU 51 14.082 11.307 -8.071 377 2HB GLU 51 3HB GLU 51 15.273 10.363 -7.198 378 1HG GLU 51 2HG GLU 51 13.671 9.771 -5.470 379 2HG GLU 51 3HG GLU 51 12.504 10.939 -6.058 380 H ASP 52 HN ASP 52 14.962 13.017 -8.744 381 HA ASP 52 HA ASP 52 16.302 14.279 -9.913 382 1HB ASP 52 2HB ASP 52 16.602 15.463 -7.480 383 2HB ASP 52 3HB ASP 52 18.237 14.868 -7.689 384 H ASN 53 HN ASN 53 16.680 11.500 -9.796 385 HA ASN 53 HA ASN 53 18.148 10.090 -10.637 386 1HB ASN 53 2HB ASN 53 19.594 12.383 -11.057 387 2HB ASN 53 3HB ASN 53 20.626 11.615 -9.867 388 1HD2 ASN 53 1HD2 ASN 53 20.382 12.067 -12.989 389 2HD2 ASN 53 2HD2 ASN 53 20.981 10.583 -13.652 390 H THR 54 HN THR 54 17.140 10.038 -7.982 391 HA THR 54 HA THR 54 19.440 9.369 -6.294 392 HB THR 54 HB THR 54 17.211 10.896 -5.798 393 HG1 THR 54 1HG THR 54 17.850 10.305 -3.530 394 1HG2 THR 54 1HG2 THR 54 15.747 9.593 -4.290 395 2HG2 THR 54 2HG2 THR 54 15.689 8.877 -5.918 396 3HG2 THR 54 3HG2 THR 54 16.666 8.110 -4.643 397 H ALA 55 HN ALA 55 16.490 7.986 -7.793 398 HA ALA 55 HA ALA 55 15.894 5.888 -8.156 399 1HB ALA 55 1HB ALA 55 17.956 5.453 -9.223 400 2HB ALA 55 2HB ALA 55 18.864 5.515 -7.693 401 3HB ALA 55 3HB ALA 55 17.798 4.133 -8.041 402 H GLY 56 HN GLY 56 14.458 5.015 -6.755 403 1HA GLY 56 1HA GLY 56 15.418 4.423 -4.020 404 2HA GLY 56 2HA GLY 56 13.789 4.923 -4.427 405 H CYS 57 HN CYS 57 13.342 3.348 -6.786 406 HA CYS 57 HA CYS 57 13.905 0.623 -6.064 407 1HB CYS 57 2HB CYS 57 11.234 1.857 -5.630 408 2HB CYS 57 3HB CYS 57 11.264 0.269 -6.369 409 H THR 58 HN THR 58 11.766 2.829 -8.021 410 HA THR 58 HA THR 58 12.817 1.531 -10.433 411 HB THR 58 HB THR 58 10.433 1.557 -11.315 412 HG1 THR 58 1HG THR 58 9.925 1.995 -8.461 413 1HG2 THR 58 1HG2 THR 58 9.710 -0.023 -9.073 414 2HG2 THR 58 2HG2 THR 58 10.438 -0.612 -10.586 415 3HG2 THR 58 3HG2 THR 58 11.477 -0.196 -9.202 416 H SER 59 HN SER 59 10.894 4.276 -9.067 417 HA SER 59 HA SER 59 10.930 6.400 -9.510 418 1HB SER 59 2HB SER 59 13.479 6.019 -11.130 419 2HB SER 59 3HB SER 59 12.932 7.488 -10.346 420 HG SER 59 HG SER 59 13.684 6.805 -8.440 421 H ALA 60 HN ALA 60 9.052 6.445 -10.817 422 HA ALA 60 HA ALA 60 9.599 6.482 -13.705 423 1HB ALA 60 1HB ALA 60 6.864 5.756 -13.072 424 2HB ALA 60 2HB ALA 60 8.073 4.865 -14.028 425 3HB ALA 60 3HB ALA 60 7.996 4.647 -12.263 426 H GLY 61 HN GLY 61 6.996 7.320 -11.301 427 1HA GLY 61 1HA GLY 61 7.092 10.087 -12.285 428 2HA GLY 61 2HA GLY 61 5.579 9.207 -12.375 429 HA PRO 62 HA PRO 62 6.720 9.954 -7.809 430 1HB PRO 62 2HB PRO 62 8.465 11.988 -7.276 431 2HB PRO 62 3HB PRO 62 8.946 10.304 -7.332 432 1HG PRO 62 2HG PRO 62 9.427 12.435 -9.323 433 2HG PRO 62 3HG PRO 62 10.239 10.892 -9.149 434 1HD PRO 62 2HD PRO 62 8.251 11.575 -11.101 435 2HD PRO 62 3HD PRO 62 8.979 10.001 -10.853 436 H HIS 63 HN HIS 63 5.247 10.947 -6.528 437 HA HIS 63 HA HIS 63 3.920 13.137 -7.846 438 1HB HIS 63 2HB HIS 63 2.940 11.043 -6.528 439 2HB HIS 63 3HB HIS 63 3.110 12.116 -5.153 440 HD1 HIS 63 HD1 HIS 63 0.595 11.104 -7.357 441 HD2 HIS 63 HD2 HIS 63 1.904 14.883 -6.092 442 HE1 HIS 63 HE1 HIS 63 -1.342 12.710 -7.780 443 H PHE 64 HN PHE 64 4.942 12.603 -4.397 444 HA PHE 64 HA PHE 64 5.657 14.028 -2.866 445 1HB PHE 64 2HB PHE 64 7.587 13.821 -4.615 446 2HB PHE 64 3HB PHE 64 7.052 15.359 -5.261 447 HD1 PHE 64 1HD PHE 64 7.209 14.396 -1.680 448 HD2 PHE 64 2HD PHE 64 8.903 16.724 -4.798 449 HE1 PHE 64 1HE PHE 64 8.641 15.598 -0.005 450 HE2 PHE 64 2HE PHE 64 10.335 17.926 -3.123 451 HZ PHE 64 HZ PHE 64 10.187 17.348 -0.747 452 H ASN 65 HN ASN 65 6.107 16.574 -2.402 453 HA ASN 65 HA ASN 65 3.743 17.889 -3.482 454 1HB ASN 65 2HB ASN 65 4.056 19.362 -1.346 455 2HB ASN 65 3HB ASN 65 3.462 17.729 -1.115 456 1HD2 ASN 65 1HD2 ASN 65 4.578 19.010 0.961 457 2HD2 ASN 65 2HD2 ASN 65 6.125 18.350 1.377 458 HA PRO 66 HA PRO 66 7.012 20.437 -5.152 459 1HB PRO 66 2HB PRO 66 5.541 21.595 -7.142 460 2HB PRO 66 3HB PRO 66 6.393 20.077 -7.340 461 1HG PRO 66 2HG PRO 66 3.495 20.543 -6.994 462 2HG PRO 66 3HG PRO 66 4.312 19.120 -7.607 463 1HD PRO 66 2HD PRO 66 3.163 19.450 -4.999 464 2HD PRO 66 3HD PRO 66 4.081 18.071 -5.574 465 H LEU 67 HN LEU 67 4.025 21.286 -3.783 466 HA LEU 67 HA LEU 67 4.791 24.096 -3.726 467 1HB LEU 67 2HB LEU 67 2.627 24.541 -3.668 468 2HB LEU 67 3HB LEU 67 2.393 22.864 -4.117 469 HG LEU 67 HG LEU 67 2.530 23.686 -1.219 470 1HD1 LEU 67 1HD1 LEU 67 -0.173 23.388 -1.833 471 2HD1 LEU 67 2HD1 LEU 67 0.680 24.899 -1.435 472 3HD1 LEU 67 3HD1 LEU 67 0.474 24.414 -3.135 473 1HD2 LEU 67 1HD2 LEU 67 1.437 21.647 -0.773 474 2HD2 LEU 67 2HD2 LEU 67 0.991 21.414 -2.480 475 3HD2 LEU 67 3HD2 LEU 67 2.691 21.262 -1.976 476 H SER 68 HN SER 68 4.619 21.170 -1.738 477 HA SER 68 HA SER 68 5.153 20.749 0.326 478 1HB SER 68 2HB SER 68 7.163 21.830 1.239 479 2HB SER 68 3HB SER 68 7.377 21.503 -0.469 480 HG SER 68 HG SER 68 8.071 23.672 0.189 481 H ARG 69 HN ARG 69 2.788 21.667 0.620 482 HA ARG 69 HA ARG 69 2.163 24.087 1.487 483 1HB ARG 69 2HB ARG 69 1.222 21.348 2.407 484 2HB ARG 69 3HB ARG 69 0.528 22.788 3.125 485 1HG ARG 69 2HG ARG 69 0.567 23.210 0.284 486 2HG ARG 69 3HG ARG 69 -0.055 21.593 0.549 487 1HD ARG 69 2HD ARG 69 -2.009 22.366 1.462 488 2HD ARG 69 3HD ARG 69 -1.187 23.557 2.449 489 HE ARG 69 HE ARG 69 -0.993 24.500 -0.200 490 1HH1 ARG 69 2HH2 ARG 69 -3.563 23.753 2.085 491 2HH1 ARG 69 1HH2 ARG 69 -4.663 24.916 1.424 492 1HH2 ARG 69 2HH1 ARG 69 -2.444 26.034 -1.073 493 2HH2 ARG 69 1HH1 ARG 69 -4.023 26.223 -0.384 494 H LYS 70 HN LYS 70 4.181 21.719 3.147 495 HA LYS 70 HA LYS 70 5.235 21.706 5.089 496 1HB LYS 70 2HB LYS 70 5.232 24.568 4.273 497 2HB LYS 70 3HB LYS 70 5.707 24.229 5.925 498 1HG LYS 70 2HG LYS 70 7.402 22.590 5.121 499 2HG LYS 70 3HG LYS 70 6.906 22.871 3.464 500 1HD LYS 70 2HD LYS 70 7.549 25.376 4.900 501 2HD LYS 70 3HD LYS 70 8.906 24.269 4.835 502 1HE LYS 70 2HE LYS 70 8.802 24.151 2.403 503 2HE LYS 70 3HE LYS 70 7.266 24.993 2.366 504 1HZ LYS 70 1HZ LYS 70 9.594 26.192 2.087 505 2HZ LYS 70 2HZ LYS 70 8.268 26.952 2.661 506 3HZ LYS 70 3HZ LYS 70 9.397 26.386 3.696 507 H HIS 71 HN HIS 71 5.145 23.019 7.480 508 HA HIS 71 HA HIS 71 3.168 21.984 8.852 509 1HB HIS 71 2HB HIS 71 3.832 23.296 10.564 510 2HB HIS 71 3HB HIS 71 5.118 23.711 9.448 511 HD1 HIS 71 HD1 HIS 71 4.709 26.019 8.026 512 HD2 HIS 71 HD2 HIS 71 2.317 25.430 11.421 513 HE1 HIS 71 HE1 HIS 71 3.745 28.303 8.627 514 H GLY 72 HN GLY 72 0.982 22.273 9.325 515 1HA GLY 72 1HA GLY 72 -0.429 24.615 8.426 516 2HA GLY 72 2HA GLY 72 -0.737 23.202 7.437 517 H GLY 73 HN GLY 73 -0.756 21.072 9.194 518 1HA GLY 73 1HA GLY 73 -2.048 21.464 11.642 519 2HA GLY 73 2HA GLY 73 -3.285 21.298 10.411 520 HA PRO 74 HA PRO 74 -2.573 17.023 11.140 521 1HB PRO 74 2HB PRO 74 -4.816 16.094 9.886 522 2HB PRO 74 3HB PRO 74 -4.798 16.610 11.561 523 1HG PRO 74 2HG PRO 74 -5.895 18.012 9.201 524 2HG PRO 74 3HG PRO 74 -6.232 18.291 10.898 525 1HD PRO 74 2HD PRO 74 -4.549 19.876 9.199 526 2HD PRO 74 3HD PRO 74 -4.795 20.086 10.922 527 H LYS 75 HN LYS 75 -4.143 17.406 8.003 528 HA LYS 75 HA LYS 75 -1.936 15.845 6.897 529 1HB LYS 75 2HB LYS 75 -3.530 15.652 4.924 530 2HB LYS 75 3HB LYS 75 -3.990 14.826 6.398 531 1HG LYS 75 2HG LYS 75 -5.629 16.480 6.960 532 2HG LYS 75 3HG LYS 75 -4.953 17.656 5.850 533 1HD LYS 75 2HD LYS 75 -6.362 16.936 4.230 534 2HD LYS 75 3HD LYS 75 -5.609 15.354 4.279 535 1HE LYS 75 2HE LYS 75 -7.579 14.537 5.062 536 2HE LYS 75 3HE LYS 75 -7.251 15.372 6.567 537 1HZ LYS 75 1HZ LYS 75 -9.212 15.939 4.685 538 2HZ LYS 75 2HZ LYS 75 -8.950 16.671 6.122 539 3HZ LYS 75 3HZ LYS 75 -8.222 17.236 4.773 540 H ASP 76 HN ASP 76 -2.231 18.918 7.653 541 HA ASP 76 HA ASP 76 -1.363 19.843 5.028 542 1HB ASP 76 2HB ASP 76 -2.622 21.351 7.364 543 2HB ASP 76 3HB ASP 76 -1.929 22.158 5.972 544 H GLU 77 HN GLU 77 -0.084 18.579 7.693 545 HA GLU 77 HA GLU 77 1.683 20.724 8.425 546 1HB GLU 77 2HB GLU 77 0.745 18.260 9.632 547 2HB GLU 77 3HB GLU 77 2.498 18.258 9.624 548 1HG GLU 77 2HG GLU 77 1.007 20.746 10.509 549 2HG GLU 77 3HG GLU 77 1.189 19.405 11.622 550 H GLU 78 HN GLU 78 1.519 18.883 5.762 551 HA GLU 78 HA GLU 78 3.904 19.335 4.768 552 1HB GLU 78 2HB GLU 78 5.269 18.271 6.335 553 2HB GLU 78 3HB GLU 78 4.104 17.003 6.660 554 1HG GLU 78 2HG GLU 78 4.544 16.027 4.391 555 2HG GLU 78 3HG GLU 78 5.724 17.286 4.084 556 H ARG 79 HN ARG 79 4.219 18.293 2.693 557 HA ARG 79 HA ARG 79 3.225 17.626 0.842 558 1HB ARG 79 2HB ARG 79 3.122 15.022 2.449 559 2HB ARG 79 3HB ARG 79 3.122 15.129 0.700 560 1HG ARG 79 2HG ARG 79 5.370 15.907 0.615 561 2HG ARG 79 3HG ARG 79 5.355 16.431 2.287 562 1HD ARG 79 2HD ARG 79 4.909 13.813 2.741 563 2HD ARG 79 3HD ARG 79 5.673 13.643 1.173 564 HE ARG 79 HE ARG 79 7.241 15.430 2.786 565 1HH1 ARG 79 2HH2 ARG 79 6.413 12.020 2.518 566 2HH1 ARG 79 1HH2 ARG 79 7.888 11.473 3.242 567 1HH2 ARG 79 2HH1 ARG 79 9.188 14.709 3.741 568 2HH2 ARG 79 1HH1 ARG 79 9.477 13.013 3.942 569 H HIS 80 HN HIS 80 1.193 18.905 1.149 570 HA HIS 80 HA HIS 80 -1.061 17.329 2.091 571 1HB HIS 80 2HB HIS 80 -1.407 19.324 3.068 572 2HB HIS 80 3HB HIS 80 -0.394 20.186 1.927 573 HD1 HIS 80 HD1 HIS 80 -1.665 20.378 -0.622 574 HD2 HIS 80 HD2 HIS 80 -4.030 20.012 2.824 575 HE1 HIS 80 HE1 HIS 80 -3.986 21.228 -1.254 576 H VAL 81 HN VAL 81 0.555 18.394 -0.813 577 HA VAL 81 HA VAL 81 -1.824 18.060 -2.435 578 HB VAL 81 HB VAL 81 -0.212 19.877 -2.843 579 1HG1 VAL 81 1HG1 VAL 81 1.803 18.197 -4.156 580 2HG1 VAL 81 2HG1 VAL 81 2.003 19.592 -3.068 581 3HG1 VAL 81 3HG1 VAL 81 1.734 17.967 -2.392 582 1HG2 VAL 81 1HG2 VAL 81 -0.291 19.754 -5.190 583 2HG2 VAL 81 2HG2 VAL 81 -0.124 17.982 -5.196 584 3HG2 VAL 81 3HG2 VAL 81 -1.644 18.731 -4.651 585 H GLY 82 HN GLY 82 0.196 15.996 -0.834 586 1HA GLY 82 1HA GLY 82 -0.226 13.898 -2.848 587 2HA GLY 82 2HA GLY 82 1.387 14.157 -2.216 588 H ASP 83 HN ASP 83 1.784 13.884 0.125 589 HA ASP 83 HA ASP 83 0.810 11.593 1.117 590 1HB ASP 83 2HB ASP 83 2.731 13.147 1.950 591 2HB ASP 83 3HB ASP 83 1.507 13.952 2.911 592 H LEU 84 HN LEU 84 -0.651 11.223 3.095 593 HA LEU 84 HA LEU 84 -2.913 13.090 2.993 594 1HB LEU 84 2HB LEU 84 -2.981 10.524 2.326 595 2HB LEU 84 3HB LEU 84 -3.155 10.315 4.057 596 HG LEU 84 HG LEU 84 -5.001 12.320 3.424 597 1HD1 LEU 84 1HD1 LEU 84 -5.329 10.097 1.403 598 2HD1 LEU 84 2HD1 LEU 84 -6.276 11.595 1.568 599 3HD1 LEU 84 3HD1 LEU 84 -4.586 11.667 1.013 600 1HD2 LEU 84 1HD2 LEU 84 -6.518 10.049 3.571 601 2HD2 LEU 84 2HD2 LEU 84 -5.004 9.528 4.348 602 3HD2 LEU 84 3HD2 LEU 84 -5.877 10.951 4.965 603 H GLY 85 HN GLY 85 -1.742 10.622 5.379 604 1HA GLY 85 1HA GLY 85 -1.223 12.712 7.331 605 2HA GLY 85 2HA GLY 85 -2.597 11.680 7.674 606 H ASN 86 HN ASN 86 -2.197 9.862 8.858 607 HA ASN 86 HA ASN 86 0.329 8.534 8.435 608 1HB ASN 86 2HB ASN 86 0.278 8.288 11.124 609 2HB ASN 86 3HB ASN 86 1.091 9.632 10.348 610 1HD2 ASN 86 1HD2 ASN 86 0.749 10.722 12.365 611 2HD2 ASN 86 2HD2 ASN 86 -0.750 11.523 12.699 612 H VAL 87 HN VAL 87 0.252 6.264 9.404 613 HA VAL 87 HA VAL 87 -2.536 5.369 9.647 614 HB VAL 87 HB VAL 87 -0.148 3.736 8.787 615 1HG1 VAL 87 1HG1 VAL 87 -2.195 2.509 7.635 616 2HG1 VAL 87 2HG1 VAL 87 -1.769 2.198 9.335 617 3HG1 VAL 87 3HG1 VAL 87 -3.109 3.301 8.941 618 1HG2 VAL 87 1HG2 VAL 87 -1.780 4.238 6.544 619 2HG2 VAL 87 2HG2 VAL 87 -1.517 5.818 7.320 620 3HG2 VAL 87 3HG2 VAL 87 -0.124 4.821 6.838 621 H THR 88 HN THR 88 -2.575 3.127 10.916 622 HA THR 88 HA THR 88 -0.868 3.472 13.293 623 HB THR 88 HB THR 88 -3.851 2.979 12.962 624 HG1 THR 88 1HG THR 88 -2.092 4.529 14.731 625 1HG2 THR 88 1HG2 THR 88 -3.314 1.243 14.552 626 2HG2 THR 88 2HG2 THR 88 -2.042 2.233 15.307 627 3HG2 THR 88 3HG2 THR 88 -3.755 2.656 15.540 628 H ALA 89 HN ALA 89 0.148 1.700 14.125 629 HA ALA 89 HA ALA 89 0.109 -0.629 12.407 630 1HB ALA 89 1HB ALA 89 2.294 -0.089 12.941 631 2HB ALA 89 2HB ALA 89 1.866 0.503 14.564 632 3HB ALA 89 3HB ALA 89 1.937 -1.247 14.245 633 H ASP 90 HN ASP 90 0.379 -2.823 13.788 634 HA ASP 90 HA ASP 90 -2.119 -3.039 15.133 635 1HB ASP 90 2HB ASP 90 -1.514 -4.871 13.706 636 2HB ASP 90 3HB ASP 90 0.101 -4.971 14.377 637 H LYS 91 HN LYS 91 0.639 -5.008 16.206 638 HA LYS 91 HA LYS 91 0.891 -3.431 18.651 639 1HB LYS 91 2HB LYS 91 0.620 -5.378 20.063 640 2HB LYS 91 3HB LYS 91 -0.824 -5.135 19.101 641 1HG LYS 91 2HG LYS 91 -0.103 -6.882 17.504 642 2HG LYS 91 3HG LYS 91 1.414 -7.077 18.358 643 1HD LYS 91 2HD LYS 91 -0.290 -7.469 20.443 644 2HD LYS 91 3HD LYS 91 -1.340 -7.987 19.139 645 1HE LYS 91 2HE LYS 91 0.163 -9.724 18.456 646 2HE LYS 91 3HE LYS 91 1.511 -9.026 19.331 647 1HZ LYS 91 1HZ LYS 91 -0.677 -9.601 21.034 648 2HZ LYS 91 2HZ LYS 91 -0.157 -10.937 20.253 649 3HZ LYS 91 3HZ LYS 91 0.884 -10.065 21.160 650 H ASP 92 HN ASP 92 2.358 -4.379 15.976 651 HA ASP 92 HA ASP 92 4.871 -4.605 17.336 652 1HB ASP 92 2HB ASP 92 3.568 -6.854 15.924 653 2HB ASP 92 3HB ASP 92 5.164 -6.505 15.292 654 H GLY 93 HN GLY 93 3.214 -2.767 15.509 655 1HA GLY 93 1HA GLY 93 4.041 -1.187 14.028 656 2HA GLY 93 2HA GLY 93 5.312 -2.287 13.532 657 H VAL 94 HN VAL 94 3.564 -4.640 13.136 658 HA VAL 94 HA VAL 94 3.056 -4.542 10.513 659 HB VAL 94 HB VAL 94 1.274 -5.931 12.519 660 1HG1 VAL 94 1HG1 VAL 94 2.096 -6.662 9.687 661 2HG1 VAL 94 2HG1 VAL 94 1.098 -7.661 10.770 662 3HG1 VAL 94 3HG1 VAL 94 0.495 -6.084 10.206 663 1HG2 VAL 94 1HG2 VAL 94 3.117 -7.805 11.922 664 2HG2 VAL 94 2HG2 VAL 94 4.136 -6.349 11.819 665 3HG2 VAL 94 3HG2 VAL 94 3.254 -6.714 13.321 666 H ALA 95 HN ALA 95 2.126 -2.851 9.441 667 HA ALA 95 HA ALA 95 -0.475 -1.941 10.464 668 1HB ALA 95 1HB ALA 95 1.834 -0.490 9.951 669 2HB ALA 95 2HB ALA 95 0.881 -0.259 8.465 670 3HB ALA 95 3HB ALA 95 0.188 0.180 10.045 671 H ASP 96 HN ASP 96 -2.207 -2.633 9.321 672 HA ASP 96 HA ASP 96 -1.684 -3.405 6.562 673 1HB ASP 96 2HB ASP 96 -3.487 -4.982 6.750 674 2HB ASP 96 3HB ASP 96 -2.526 -5.167 8.204 675 H VAL 97 HN VAL 97 -3.330 -2.755 4.945 676 HA VAL 97 HA VAL 97 -5.143 -0.655 5.911 677 HB VAL 97 HB VAL 97 -2.896 -0.418 4.181 678 1HG1 VAL 97 1HG1 VAL 97 -5.511 0.223 2.776 679 2HG1 VAL 97 2HG1 VAL 97 -3.865 0.516 2.165 680 3HG1 VAL 97 3HG1 VAL 97 -4.451 -1.151 2.381 681 1HG2 VAL 97 1HG2 VAL 97 -3.184 1.426 5.482 682 2HG2 VAL 97 2HG2 VAL 97 -4.067 2.005 4.049 683 3HG2 VAL 97 3HG2 VAL 97 -4.960 1.325 5.430 684 H SER 98 HN SER 98 -7.019 -0.292 4.384 685 HA SER 98 HA SER 98 -7.566 -2.234 2.448 686 1HB SER 98 2HB SER 98 -9.544 -3.288 3.659 687 2HB SER 98 3HB SER 98 -7.965 -3.793 4.224 688 HG SER 98 HG SER 98 -9.803 -1.952 5.468 689 H ILE 99 HN ILE 99 -8.183 -0.443 1.173 690 HA ILE 99 HA ILE 99 -10.604 0.926 2.115 691 HB ILE 99 HB ILE 99 -8.435 2.216 0.469 692 1HG1 ILE 99 2HG1 ILE 99 -8.485 3.330 3.072 693 2HG1 ILE 99 3HG1 ILE 99 -8.399 1.593 3.286 694 1HG2 ILE 99 1HG2 ILE 99 -10.906 3.018 0.505 695 2HG2 ILE 99 2HG2 ILE 99 -10.507 3.622 2.131 696 3HG2 ILE 99 3HG2 ILE 99 -9.596 4.204 0.717 697 1HD1 ILE 99 1HD1 ILE 99 -6.128 2.443 3.102 698 2HD1 ILE 99 2HD1 ILE 99 -6.491 1.536 1.614 699 3HD1 ILE 99 3HD1 ILE 99 -6.526 3.315 1.603 700 H GLU 100 HN GLU 100 -12.137 1.493 0.450 701 HA GLU 100 HA GLU 100 -11.623 0.062 -2.039 702 1HB GLU 100 2HB GLU 100 -13.816 -0.253 -0.094 703 2HB GLU 100 3HB GLU 100 -14.405 0.041 -1.719 704 1HG GLU 100 2HG GLU 100 -13.752 -2.019 -2.447 705 2HG GLU 100 3HG GLU 100 -12.166 -1.867 -1.718 706 H ASP 101 HN ASP 101 -10.957 2.029 -3.077 707 HA ASP 101 HA ASP 101 -13.020 4.072 -3.182 708 1HB ASP 101 2HB ASP 101 -10.089 4.140 -4.043 709 2HB ASP 101 3HB ASP 101 -11.191 5.498 -4.164 710 H SER 102 HN SER 102 -13.788 4.796 -5.291 711 HA SER 102 HA SER 102 -12.981 3.023 -7.463 712 1HB SER 102 2HB SER 102 -15.281 3.265 -8.363 713 2HB SER 102 3HB SER 102 -15.288 2.561 -6.759 714 HG SER 102 HG SER 102 -15.962 4.538 -5.863 715 H VAL 103 HN VAL 103 -14.109 6.310 -6.484 716 HA VAL 103 HA VAL 103 -14.124 7.623 -8.840 717 HB VAL 103 HB VAL 103 -13.176 8.420 -6.097 718 1HG1 VAL 103 1HG1 VAL 103 -12.002 9.820 -7.788 719 2HG1 VAL 103 2HG1 VAL 103 -13.585 10.305 -8.442 720 3HG1 VAL 103 3HG1 VAL 103 -13.137 10.745 -6.777 721 1HG2 VAL 103 1HG2 VAL 103 -15.353 9.845 -6.393 722 2HG2 VAL 103 2HG2 VAL 103 -15.719 8.675 -7.684 723 3HG2 VAL 103 3HG2 VAL 103 -15.474 8.110 -6.014 724 H ILE 104 HN ILE 104 -11.215 6.846 -6.825 725 HA ILE 104 HA ILE 104 -9.397 8.087 -8.561 726 HB ILE 104 HB ILE 104 -7.716 6.770 -7.334 727 1HG1 ILE 104 2HG1 ILE 104 -8.508 5.368 -5.409 728 2HG1 ILE 104 3HG1 ILE 104 -10.133 5.456 -6.060 729 1HG2 ILE 104 1HG2 ILE 104 -8.821 7.577 -4.960 730 2HG2 ILE 104 2HG2 ILE 104 -7.937 8.621 -6.098 731 3HG2 ILE 104 3HG2 ILE 104 -9.716 8.561 -6.143 732 1HD1 ILE 104 1HD1 ILE 104 -9.621 4.133 -7.920 733 2HD1 ILE 104 2HD1 ILE 104 -7.899 4.586 -7.896 734 3HD1 ILE 104 3HD1 ILE 104 -8.532 3.431 -6.699 735 H SER 105 HN SER 105 -7.494 6.543 -9.500 736 HA SER 105 HA SER 105 -8.477 4.147 -10.636 737 1HB SER 105 2HB SER 105 -9.180 6.438 -12.048 738 2HB SER 105 3HB SER 105 -7.692 5.963 -12.842 739 HG SER 105 HG SER 105 -8.836 3.684 -12.740 740 H LEU 106 HN LEU 106 -6.729 3.248 -12.253 741 HA LEU 106 HA LEU 106 -4.141 3.924 -11.096 742 1HB LEU 106 2HB LEU 106 -5.244 1.538 -12.553 743 2HB LEU 106 3HB LEU 106 -3.516 1.773 -12.378 744 HG LEU 106 HG LEU 106 -3.882 1.896 -9.873 745 1HD1 LEU 106 1HD1 LEU 106 -6.297 0.372 -9.775 746 2HD1 LEU 106 2HD1 LEU 106 -5.929 1.945 -9.026 747 3HD1 LEU 106 3HD1 LEU 106 -6.610 1.879 -10.669 748 1HD2 LEU 106 1HD2 LEU 106 -3.478 -0.331 -9.671 749 2HD2 LEU 106 2HD2 LEU 106 -4.813 -0.792 -10.755 750 3HD2 LEU 106 3HD2 LEU 106 -3.284 -0.183 -11.434 751 H SER 107 HN SER 107 -5.997 3.936 -14.140 752 HA SER 107 HA SER 107 -3.896 5.577 -15.246 753 1HB SER 107 2HB SER 107 -3.987 2.915 -15.949 754 2HB SER 107 3HB SER 107 -5.024 3.610 -17.178 755 HG SER 107 HG SER 107 -3.335 4.553 -18.121 756 H GLY 108 HN GLY 108 -5.577 7.223 -14.761 757 1HA GLY 108 1HA GLY 108 -7.399 7.533 -16.998 758 2HA GLY 108 2HA GLY 108 -8.164 7.334 -15.435 759 H ASP 109 HN ASP 109 -8.321 9.079 -14.044 760 HA ASP 109 HA ASP 109 -6.976 11.483 -14.980 761 1HB ASP 109 2HB ASP 109 -9.656 10.888 -13.933 762 2HB ASP 109 3HB ASP 109 -8.899 12.177 -13.019 763 H HIS 110 HN HIS 110 -7.420 9.158 -12.356 764 HA HIS 110 HA HIS 110 -6.086 10.901 -10.453 765 1HB HIS 110 2HB HIS 110 -7.735 8.421 -10.297 766 2HB HIS 110 3HB HIS 110 -6.514 8.646 -9.060 767 HD1 HIS 110 HD1 HIS 110 -9.509 10.506 -10.547 768 HD2 HIS 110 HD2 HIS 110 -7.255 10.327 -7.014 769 HE1 HIS 110 HE1 HIS 110 -10.711 11.992 -8.857 770 H SER 111 HN SER 111 -5.755 7.550 -11.827 771 HA SER 111 HA SER 111 -4.026 6.208 -11.895 772 1HB SER 111 2HB SER 111 -3.623 7.724 -13.830 773 2HB SER 111 3HB SER 111 -2.636 8.762 -12.820 774 HG SER 111 HG SER 111 -1.994 5.971 -13.029 775 H ILE 112 HN ILE 112 -3.942 5.928 -9.510 776 HA ILE 112 HA ILE 112 -1.982 7.524 -8.108 777 HB ILE 112 HB ILE 112 -2.828 6.613 -6.163 778 1HG1 ILE 112 2HG1 ILE 112 -2.529 4.265 -6.622 779 2HG1 ILE 112 3HG1 ILE 112 -4.158 4.536 -6.035 780 1HG2 ILE 112 1HG2 ILE 112 -4.471 8.028 -7.274 781 2HG2 ILE 112 2HG2 ILE 112 -5.146 6.612 -8.116 782 3HG2 ILE 112 3HG2 ILE 112 -5.271 6.737 -6.345 783 1HD1 ILE 112 1HD1 ILE 112 -3.308 4.121 -8.934 784 2HD1 ILE 112 2HD1 ILE 112 -4.295 3.029 -7.933 785 3HD1 ILE 112 3HD1 ILE 112 -4.951 4.602 -8.448 786 H ILE 113 HN ILE 113 -1.674 5.218 -10.376 787 HA ILE 113 HA ILE 113 -0.158 3.208 -9.211 788 HB ILE 113 HB ILE 113 -0.252 4.393 -11.975 789 1HG1 ILE 113 2HG1 ILE 113 -2.195 3.073 -10.936 790 2HG1 ILE 113 3HG1 ILE 113 -1.637 2.606 -12.530 791 1HG2 ILE 113 1HG2 ILE 113 1.888 3.566 -12.084 792 2HG2 ILE 113 2HG2 ILE 113 1.580 2.292 -10.879 793 3HG2 ILE 113 3HG2 ILE 113 0.945 2.124 -12.534 794 1HD1 ILE 113 1HD1 ILE 113 -1.847 0.945 -10.251 795 2HD1 ILE 113 2HD1 ILE 113 -1.082 0.533 -11.805 796 3HD1 ILE 113 3HD1 ILE 113 -0.100 1.204 -10.480 797 H GLY 114 HN GLY 114 1.777 3.214 -8.206 798 1HA GLY 114 1HA GLY 114 4.084 3.737 -8.235 799 2HA GLY 114 2HA GLY 114 3.727 5.280 -8.987 800 H ARG 115 HN ARG 115 1.716 4.020 -6.329 801 HA ARG 115 HA ARG 115 2.430 6.335 -4.816 802 1HB ARG 115 2HB ARG 115 0.289 4.232 -4.726 803 2HB ARG 115 3HB ARG 115 0.704 4.961 -3.188 804 1HG ARG 115 2HG ARG 115 0.530 7.095 -5.106 805 2HG ARG 115 3HG ARG 115 -0.876 6.076 -5.346 806 1HD ARG 115 2HD ARG 115 0.013 7.281 -2.680 807 2HD ARG 115 3HD ARG 115 -1.334 7.838 -3.653 808 HE ARG 115 HE ARG 115 -1.519 4.995 -2.985 809 1HH1 ARG 115 2HH2 ARG 115 -2.211 8.258 -1.863 810 2HH1 ARG 115 1HH2 ARG 115 -3.477 7.758 -0.791 811 1HH2 ARG 115 2HH1 ARG 115 -3.188 4.335 -1.571 812 2HH2 ARG 115 1HH1 ARG 115 -4.036 5.512 -0.624 813 H THR 116 HN THR 116 4.764 5.190 -4.792 814 HA THR 116 HA THR 116 5.216 2.975 -3.165 815 HB THR 116 HB THR 116 6.766 4.201 -4.843 816 HG1 THR 116 1HG THR 116 7.361 2.504 -3.226 817 1HG2 THR 116 1HG2 THR 116 7.638 5.727 -2.359 818 2HG2 THR 116 2HG2 THR 116 8.115 6.000 -4.052 819 3HG2 THR 116 3HG2 THR 116 6.485 6.459 -3.502 820 H LEU 117 HN LEU 117 4.898 2.609 -1.070 821 HA LEU 117 HA LEU 117 4.429 4.902 0.638 822 1HB LEU 117 2HB LEU 117 2.887 2.974 0.589 823 2HB LEU 117 3HB LEU 117 4.173 1.941 1.179 824 HG LEU 117 HG LEU 117 4.106 3.996 3.049 825 1HD1 LEU 117 1HD1 LEU 117 1.643 4.104 1.682 826 2HD1 LEU 117 2HD1 LEU 117 1.316 3.318 3.245 827 3HD1 LEU 117 3HD1 LEU 117 2.095 4.918 3.199 828 1HD2 LEU 117 1HD2 LEU 117 4.486 1.746 3.678 829 2HD2 LEU 117 2HD2 LEU 117 2.985 2.247 4.492 830 3HD2 LEU 117 3HD2 LEU 117 2.910 1.220 3.040 831 H VAL 118 HN VAL 118 6.344 5.900 1.162 832 HA VAL 118 HA VAL 118 8.508 4.159 2.090 833 HB VAL 118 HB VAL 118 9.845 6.287 1.880 834 1HG1 VAL 118 1HG1 VAL 118 8.925 5.938 -0.864 835 2HG1 VAL 118 2HG1 VAL 118 10.482 5.507 -0.117 836 3HG1 VAL 118 3HG1 VAL 118 9.106 4.381 -0.021 837 1HG2 VAL 118 1HG2 VAL 118 7.421 7.268 0.338 838 2HG2 VAL 118 2HG2 VAL 118 7.887 7.834 1.959 839 3HG2 VAL 118 3HG2 VAL 118 8.966 8.120 0.572 840 H VAL 119 HN VAL 119 6.898 3.843 4.008 841 HA VAL 119 HA VAL 119 6.243 5.836 5.755 842 HB VAL 119 HB VAL 119 6.311 4.025 7.477 843 1HG1 VAL 119 1HG1 VAL 119 4.951 3.568 4.813 844 2HG1 VAL 119 2HG1 VAL 119 4.641 2.541 6.233 845 3HG1 VAL 119 3HG1 VAL 119 4.277 4.283 6.297 846 1HG2 VAL 119 1HG2 VAL 119 7.958 2.508 7.079 847 2HG2 VAL 119 2HG2 VAL 119 6.655 1.683 6.191 848 3HG2 VAL 119 3HG2 VAL 119 7.841 2.676 5.311 849 H HIS 120 HN HIS 120 7.214 6.608 7.760 850 HA HIS 120 HA HIS 120 10.105 6.784 7.462 851 1HB HIS 120 2HB HIS 120 9.806 8.653 9.168 852 2HB HIS 120 3HB HIS 120 9.178 8.923 7.554 853 HD1 HIS 120 HD1 HIS 120 7.376 6.926 10.258 854 HD2 HIS 120 HD2 HIS 120 7.065 10.581 8.224 855 HE1 HIS 120 HE1 HIS 120 5.126 7.928 10.927 856 H GLU 121 HN GLU 121 11.387 6.836 9.597 857 HA GLU 121 HA GLU 121 10.548 4.509 11.070 858 1HB GLU 121 2HB GLU 121 13.036 5.525 10.193 859 2HB GLU 121 3HB GLU 121 13.075 5.707 11.936 860 1HG GLU 121 2HG GLU 121 12.352 3.285 12.154 861 2HG GLU 121 3HG GLU 121 12.461 3.131 10.412 862 H LYS 122 HN LYS 122 8.847 6.666 11.572 863 HA LYS 122 HA LYS 122 9.038 6.866 14.363 864 1HB LYS 122 2HB LYS 122 10.430 8.939 12.862 865 2HB LYS 122 3HB LYS 122 9.148 9.614 13.847 866 1HG LYS 122 2HG LYS 122 10.481 7.603 15.424 867 2HG LYS 122 3HG LYS 122 11.720 8.604 14.695 868 1HD LYS 122 2HD LYS 122 10.992 10.554 15.778 869 2HD LYS 122 3HD LYS 122 9.338 9.992 15.917 870 1HE LYS 122 2HE LYS 122 10.439 8.131 17.500 871 2HE LYS 122 3HE LYS 122 11.722 9.315 17.647 872 1HZ LYS 122 1HZ LYS 122 10.344 10.779 18.672 873 2HZ LYS 122 2HZ LYS 122 8.979 10.209 17.980 874 3HZ LYS 122 3HZ LYS 122 9.680 9.384 19.203 875 H ALA 123 HN ALA 123 7.471 9.213 14.741 876 HA ALA 123 HA ALA 123 5.080 8.442 13.215 877 1HB ALA 123 1HB ALA 123 4.629 7.909 15.452 878 2HB ALA 123 2HB ALA 123 5.547 9.302 16.073 879 3HB ALA 123 3HB ALA 123 3.960 9.552 15.306 880 H ASP 124 HN ASP 124 3.413 10.504 13.484 881 HA ASP 124 HA ASP 124 4.993 12.822 12.693 882 1HB ASP 124 2HB ASP 124 2.974 11.324 11.200 883 2HB ASP 124 3HB ASP 124 2.440 12.977 11.432 884 H ASP 125 HN ASP 125 4.702 13.981 14.668 885 HA ASP 125 HA ASP 125 2.269 13.934 16.051 886 1HB ASP 125 2HB ASP 125 4.922 14.994 16.395 887 2HB ASP 125 3HB ASP 125 3.805 16.323 16.635 888 H LEU 126 HN LEU 126 3.274 15.446 13.157 889 HA LEU 126 HA LEU 126 2.648 17.245 12.001 890 1HB LEU 126 2HB LEU 126 -0.077 16.594 13.121 891 2HB LEU 126 3HB LEU 126 0.292 17.375 11.596 892 HG LEU 126 HG LEU 126 1.253 14.574 12.155 893 1HD1 LEU 126 1HD1 LEU 126 -0.869 13.906 12.380 894 2HD1 LEU 126 2HD1 LEU 126 -1.522 15.456 11.796 895 3HD1 LEU 126 3HD1 LEU 126 -1.003 14.213 10.631 896 1HD2 LEU 126 1HD2 LEU 126 0.474 14.951 9.469 897 2HD2 LEU 126 2HD2 LEU 126 1.380 16.408 9.943 898 3HD2 LEU 126 3HD2 LEU 126 2.121 14.800 10.127 899 H GLY 127 HN GLY 127 3.880 18.096 14.300 900 1HA GLY 127 1HA GLY 127 2.288 20.489 14.960 901 2HA GLY 127 2HA GLY 127 3.036 19.539 16.229 902 H LYS 128 HN LYS 128 4.788 20.657 16.985 903 HA LYS 128 HA LYS 128 6.707 21.567 14.964 904 1HB LYS 128 2HB LYS 128 5.587 23.116 17.300 905 2HB LYS 128 3HB LYS 128 7.159 23.492 16.626 906 1HG LYS 128 2HG LYS 128 5.709 23.352 14.314 907 2HG LYS 128 3HG LYS 128 4.439 23.843 15.417 908 1HD LYS 128 2HD LYS 128 7.020 25.330 15.692 909 2HD LYS 128 3HD LYS 128 6.160 25.593 14.188 910 1HE LYS 128 2HE LYS 128 4.553 26.847 15.210 911 2HE LYS 128 3HE LYS 128 4.319 25.657 16.476 912 1HZ LYS 128 1HZ LYS 128 5.333 27.966 16.990 913 2HZ LYS 128 2HZ LYS 128 5.870 26.641 17.779 914 3HZ LYS 128 3HZ LYS 128 6.736 27.260 16.542 915 H GLY 129 HN GLY 129 6.748 21.793 18.557 916 1HA GLY 129 1HA GLY 129 8.026 20.763 20.097 917 2HA GLY 129 2HA GLY 129 8.237 19.426 18.984 918 H GLY 130 HN GLY 130 9.647 20.265 16.870 919 1HA GLY 130 1HA GLY 130 12.123 21.333 18.071 920 2HA GLY 130 2HA GLY 130 12.026 20.235 16.709 921 H ASN 131 HN ASN 131 13.235 21.618 15.304 922 HA ASN 131 HA ASN 131 11.593 23.634 14.119 923 1HB ASN 131 2HB ASN 131 14.383 24.344 15.172 924 2HB ASN 131 3HB ASN 131 13.336 25.414 14.261 925 1HD2 ASN 131 1HD2 ASN 131 14.251 24.299 17.298 926 2HD2 ASN 131 2HD2 ASN 131 13.014 25.020 18.273 927 H GLU 132 HN GLU 132 12.035 23.659 11.874 928 HA GLU 132 HA GLU 132 13.080 23.348 9.979 929 1HB GLU 132 2HB GLU 132 15.202 24.017 11.405 930 2HB GLU 132 3HB GLU 132 15.602 22.314 11.294 931 1HG GLU 132 2HG GLU 132 15.772 22.377 8.914 932 2HG GLU 132 3HG GLU 132 14.861 23.869 8.794 933 H GLN 133 HN GLN 133 11.768 21.229 11.829 934 HA GLN 133 HA GLN 133 12.450 19.022 10.089 935 1HB GLN 133 2HB GLN 133 12.268 17.502 12.205 936 2HB GLN 133 3HB GLN 133 13.774 18.349 11.909 937 1HG GLN 133 2HG GLN 133 12.344 20.235 13.368 938 2HG GLN 133 3HG GLN 133 11.785 18.735 14.082 939 1HE2 GLN 133 1HE2 GLN 133 14.786 20.263 12.923 940 2HE2 GLN 133 2HE2 GLN 133 15.814 19.737 14.214 941 H SER 134 HN SER 134 10.423 19.648 13.051 942 HA SER 134 HA SER 134 8.258 18.254 11.881 943 1HB SER 134 2HB SER 134 7.749 20.044 14.214 944 2HB SER 134 3HB SER 134 7.305 18.365 13.978 945 HG SER 134 HG SER 134 9.678 19.477 15.057 946 H THR 135 HN THR 135 9.517 21.443 11.615 947 HA THR 135 HA THR 135 6.982 22.761 11.231 948 HB THR 135 HB THR 135 8.488 24.696 10.720 949 HG1 THR 135 1HG THR 135 10.371 23.945 9.816 950 1HG2 THR 135 1HG2 THR 135 9.230 24.976 12.895 951 2HG2 THR 135 2HG2 THR 135 8.287 23.496 13.194 952 3HG2 THR 135 3HG2 THR 135 10.042 23.392 12.918 953 H LYS 136 HN LYS 136 9.136 20.805 9.333 954 HA LYS 136 HA LYS 136 7.807 21.796 6.909 955 1HB LYS 136 2HB LYS 136 9.798 20.711 5.743 956 2HB LYS 136 3HB LYS 136 10.096 22.198 6.619 957 1HG LYS 136 2HG LYS 136 11.359 21.155 8.255 958 2HG LYS 136 3HG LYS 136 10.398 19.690 8.220 959 1HD LYS 136 2HD LYS 136 12.293 18.859 7.189 960 2HD LYS 136 3HD LYS 136 11.483 19.468 5.760 961 1HE LYS 136 2HE LYS 136 12.741 21.654 6.037 962 2HE LYS 136 3HE LYS 136 13.613 20.943 7.380 963 1HZ LYS 136 1HZ LYS 136 13.796 19.149 5.319 964 2HZ LYS 136 2HZ LYS 136 14.062 20.609 4.638 965 3HZ LYS 136 3HZ LYS 136 14.983 20.113 5.892 966 H THR 137 HN THR 137 8.333 19.128 9.122 967 HA THR 137 HA THR 137 6.751 17.421 7.315 968 HB THR 137 HB THR 137 8.083 15.528 8.083 969 HG1 THR 137 1HG THR 137 9.729 16.056 9.770 970 1HG2 THR 137 1HG2 THR 137 9.238 17.249 6.448 971 2HG2 THR 137 2HG2 THR 137 10.180 17.725 7.882 972 3HG2 THR 137 3HG2 THR 137 10.264 16.053 7.276 973 H GLY 138 HN GLY 138 7.763 16.823 10.695 974 1HA GLY 138 1HA GLY 138 5.897 17.741 12.284 975 2HA GLY 138 2HA GLY 138 4.927 16.586 11.391 976 H ASN 139 HN ASN 139 8.401 16.384 12.410 977 HA ASN 139 HA ASN 139 9.442 15.046 13.773 978 1HB ASN 139 2HB ASN 139 7.103 15.409 15.161 979 2HB ASN 139 3HB ASN 139 7.009 13.679 14.895 980 1HD2 ASN 139 1HD2 ASN 139 8.121 12.351 16.142 981 2HD2 ASN 139 2HD2 ASN 139 9.340 12.793 17.291 982 H ALA 140 HN ALA 140 7.800 14.260 11.139 983 HA ALA 140 HA ALA 140 7.028 11.689 11.062 984 1HB ALA 140 1HB ALA 140 6.867 12.443 8.946 985 2HB ALA 140 2HB ALA 140 8.144 13.655 9.209 986 3HB ALA 140 3HB ALA 140 8.578 11.992 8.747 987 H GLY 141 HN GLY 141 10.418 12.575 10.103 988 1HA GLY 141 1HA GLY 141 12.074 11.394 11.685 989 2HA GLY 141 2HA GLY 141 11.275 9.944 11.109 990 H SER 142 HN SER 142 12.170 8.951 9.356 991 HA SER 142 HA SER 142 13.484 10.668 7.419 992 1HB SER 142 2HB SER 142 14.980 9.273 9.221 993 2HB SER 142 3HB SER 142 14.796 8.039 7.990 994 HG SER 142 HG SER 142 16.517 9.075 7.173 995 H ARG 143 HN ARG 143 13.202 9.984 5.258 996 HA ARG 143 HA ARG 143 11.100 8.206 4.835 997 1HB ARG 143 2HB ARG 143 11.507 10.041 3.275 998 2HB ARG 143 3HB ARG 143 13.136 9.483 2.950 999 1HG ARG 143 2HG ARG 143 11.507 7.247 2.366 1000 2HG ARG 143 3HG ARG 143 10.601 8.613 1.746 1001 1HD ARG 143 2HD ARG 143 12.026 7.954 -0.061 1002 2HD ARG 143 3HD ARG 143 12.784 9.387 0.604 1003 HE ARG 143 HE ARG 143 13.976 7.340 2.034 1004 1HH1 ARG 143 2HH2 ARG 143 13.553 7.976 -1.401 1005 2HH1 ARG 143 1HH2 ARG 143 15.004 7.149 -1.863 1006 1HH2 ARG 143 2HH1 ARG 143 15.889 6.249 1.425 1007 2HH2 ARG 143 1HH1 ARG 143 16.341 6.160 -0.244 1008 H LEU 144 HN LEU 144 11.082 6.020 4.188 1009 HA LEU 144 HA LEU 144 13.544 4.773 3.370 1010 1HB LEU 144 2HB LEU 144 13.362 3.025 5.157 1011 2HB LEU 144 3HB LEU 144 13.973 4.590 5.655 1012 HG LEU 144 HG LEU 144 11.533 5.076 6.396 1013 1HD1 LEU 144 1HD1 LEU 144 10.189 3.159 6.993 1014 2HD1 LEU 144 2HD1 LEU 144 10.547 3.117 5.250 1015 3HD1 LEU 144 3HD1 LEU 144 11.430 2.048 6.366 1016 1HD2 LEU 144 1HD2 LEU 144 13.765 3.773 7.686 1017 2HD2 LEU 144 2HD2 LEU 144 12.621 4.976 8.327 1018 3HD2 LEU 144 3HD2 LEU 144 12.225 3.242 8.403 1019 H ALA 145 HN ALA 145 13.040 2.288 3.013 1020 HA ALA 145 HA ALA 145 11.853 0.772 1.924 1021 1HB ALA 145 1HB ALA 145 10.343 1.149 3.962 1022 2HB ALA 145 2HB ALA 145 9.333 2.157 2.897 1023 3HB ALA 145 3HB ALA 145 9.572 0.432 2.527 1024 H CYS 146 HN CYS 146 10.341 0.452 0.009 1025 HA CYS 146 HA CYS 146 9.593 2.853 -1.367 1026 1HB CYS 146 2HB CYS 146 10.929 2.443 -3.361 1027 2HB CYS 146 3HB CYS 146 11.928 2.805 -1.967 1028 H GLY 147 HN GLY 147 7.616 1.470 -0.715 1029 1HA GLY 147 1HA GLY 147 7.253 -1.007 -2.165 1030 2HA GLY 147 2HA GLY 147 6.119 -0.213 -1.090 1031 H VAL 148 HN VAL 148 7.828 0.714 -4.172 1032 HA VAL 148 HA VAL 148 5.840 2.358 -5.124 1033 HB VAL 148 HB VAL 148 7.862 0.636 -6.567 1034 1HG1 VAL 148 1HG1 VAL 148 6.655 3.102 -7.784 1035 2HG1 VAL 148 2HG1 VAL 148 7.410 1.694 -8.570 1036 3HG1 VAL 148 3HG1 VAL 148 5.774 1.558 -7.882 1037 1HG2 VAL 148 1HG2 VAL 148 8.500 2.527 -4.853 1038 2HG2 VAL 148 2HG2 VAL 148 9.353 2.395 -6.410 1039 3HG2 VAL 148 3HG2 VAL 148 8.069 3.610 -6.198 1040 H ILE 149 HN ILE 149 3.841 2.063 -6.001 1041 HA ILE 149 HA ILE 149 2.860 -0.647 -6.103 1042 HB ILE 149 HB ILE 149 1.612 2.079 -6.347 1043 1HG1 ILE 149 2HG1 ILE 149 2.260 1.201 -4.098 1044 2HG1 ILE 149 3HG1 ILE 149 0.553 1.552 -4.278 1045 1HG2 ILE 149 1HG2 ILE 149 0.599 -0.468 -7.373 1046 2HG2 ILE 149 2HG2 ILE 149 -0.498 0.312 -6.208 1047 3HG2 ILE 149 3HG2 ILE 149 0.036 1.197 -7.657 1048 1HD1 ILE 149 1HD1 ILE 149 1.830 -1.212 -4.516 1049 2HD1 ILE 149 2HD1 ILE 149 0.872 -0.616 -3.140 1050 3HD1 ILE 149 3HD1 ILE 149 0.097 -0.862 -4.723 1051 H GLY 150 HN GLY 150 3.367 -1.850 -7.860 1052 1HA GLY 150 1HA GLY 150 3.011 -0.561 -10.498 1053 2HA GLY 150 2HA GLY 150 4.388 -1.584 -10.141 1054 H ILE 151 HN ILE 151 1.834 -1.754 -11.975 1055 HA ILE 151 HA ILE 151 0.186 -3.776 -11.123 1056 HB ILE 151 HB ILE 151 1.147 -2.950 -13.852 1057 1HG1 ILE 151 2HG1 ILE 151 -0.182 -1.286 -12.738 1058 2HG1 ILE 151 3HG1 ILE 151 -1.138 -2.012 -14.014 1059 1HG2 ILE 151 1HG2 ILE 151 -0.693 -4.302 -14.791 1060 2HG2 ILE 151 2HG2 ILE 151 0.572 -5.295 -14.030 1061 3HG2 ILE 151 3HG2 ILE 151 -0.968 -5.014 -13.184 1062 1HD1 ILE 151 1HD1 ILE 151 -2.605 -1.922 -12.137 1063 2HD1 ILE 151 2HD1 ILE 151 -2.063 -3.617 -12.197 1064 3HD1 ILE 151 3HD1 ILE 151 -1.342 -2.493 -11.020 1065 H ALA 152 HN ALA 152 0.177 -6.063 -11.335 1066 HA ALA 152 HA ALA 152 2.720 -7.264 -12.122 1067 1HB ALA 152 1HB ALA 152 2.731 -6.852 -9.641 1068 2HB ALA 152 2HB ALA 152 1.291 -7.890 -9.509 1069 3HB ALA 152 3HB ALA 152 2.831 -8.573 -10.083 1070 H GLN 153 HN GLN 153 2.371 -9.816 -12.053 1071 HA GLN 153 HA GLN 153 0.168 -10.252 -13.763 1072 1HB GLN 153 2HB GLN 153 2.485 -11.375 -13.843 1073 2HB GLN 153 3HB GLN 153 1.951 -12.375 -12.508 1074 1HG GLN 153 2HG GLN 153 -0.054 -13.071 -13.916 1075 2HG GLN 153 3HG GLN 153 0.641 -12.185 -15.260 1076 1HE2 GLN 153 1HE2 GLN 153 2.294 -13.006 -16.409 1077 2HE2 GLN 153 2HE2 GLN 153 3.001 -14.568 -16.167 Start of MODEL 30 1 1H ALA 1 HN ALA 1 -8.622 -9.506 -13.430 2 HA ALA 1 HA ALA 1 -9.327 -6.804 -13.309 3 1HB ALA 1 1HB ALA 1 -10.107 -8.255 -11.005 4 2HB ALA 1 2HB ALA 1 -8.639 -7.359 -10.549 5 3HB ALA 1 3HB ALA 1 -10.046 -6.487 -11.204 6 H THR 2 HN THR 2 -7.370 -6.010 -11.319 7 HA THR 2 HA THR 2 -4.931 -7.356 -12.209 8 HB THR 2 HB THR 2 -5.846 -5.055 -13.472 9 HG1 THR 2 1HG THR 2 -3.213 -6.121 -12.757 10 1HG2 THR 2 1HG2 THR 2 -4.231 -3.283 -12.722 11 2HG2 THR 2 2HG2 THR 2 -5.445 -3.631 -11.467 12 3HG2 THR 2 3HG2 THR 2 -3.799 -4.293 -11.321 13 H LYS 3 HN LYS 3 -3.968 -8.035 -10.406 14 HA LYS 3 HA LYS 3 -4.277 -6.355 -8.028 15 1HB LYS 3 2HB LYS 3 -5.073 -8.676 -7.850 16 2HB LYS 3 3HB LYS 3 -3.486 -9.271 -8.293 17 1HG LYS 3 2HG LYS 3 -3.520 -7.318 -6.032 18 2HG LYS 3 3HG LYS 3 -4.305 -8.850 -5.702 19 1HD LYS 3 2HD LYS 3 -1.512 -8.682 -6.915 20 2HD LYS 3 3HD LYS 3 -1.778 -8.708 -5.183 21 1HE LYS 3 2HE LYS 3 -2.883 -10.895 -5.319 22 2HE LYS 3 3HE LYS 3 -2.859 -10.851 -7.071 23 1HZ LYS 3 1HZ LYS 3 -1.042 -12.120 -6.461 24 2HZ LYS 3 2HZ LYS 3 -0.373 -10.672 -6.809 25 3HZ LYS 3 3HZ LYS 3 -0.584 -11.121 -5.253 26 H ALA 4 HN ALA 4 -2.680 -4.857 -7.902 27 HA ALA 4 HA ALA 4 -0.074 -5.481 -8.974 28 1HB ALA 4 1HB ALA 4 -1.657 -3.148 -8.457 29 2HB ALA 4 2HB ALA 4 -0.145 -3.005 -7.527 30 3HB ALA 4 3HB ALA 4 -0.087 -3.258 -9.288 31 H VAL 5 HN VAL 5 1.843 -4.626 -7.440 32 HA VAL 5 HA VAL 5 1.363 -5.457 -4.694 33 HB VAL 5 HB VAL 5 3.683 -6.632 -6.190 34 1HG1 VAL 5 1HG1 VAL 5 2.815 -8.439 -4.300 35 2HG1 VAL 5 2HG1 VAL 5 4.110 -7.240 -4.068 36 3HG1 VAL 5 3HG1 VAL 5 2.453 -6.875 -3.530 37 1HG2 VAL 5 1HG2 VAL 5 0.967 -7.966 -5.939 38 2HG2 VAL 5 2HG2 VAL 5 1.603 -7.237 -7.433 39 3HG2 VAL 5 3HG2 VAL 5 2.430 -8.634 -6.702 40 H ALA 6 HN ALA 6 3.148 -4.784 -3.246 41 HA ALA 6 HA ALA 6 5.112 -3.006 -4.386 42 1HB ALA 6 1HB ALA 6 2.766 -1.812 -3.922 43 2HB ALA 6 2HB ALA 6 3.386 -1.790 -2.254 44 3HB ALA 6 3HB ALA 6 4.310 -1.006 -3.557 45 H VAL 7 HN VAL 7 6.697 -4.375 -3.518 46 HA VAL 7 HA VAL 7 6.508 -5.140 -0.748 47 HB VAL 7 HB VAL 7 7.367 -6.608 -2.566 48 1HG1 VAL 7 1HG1 VAL 7 10.041 -5.336 -2.523 49 2HG1 VAL 7 2HG1 VAL 7 9.164 -6.131 -3.853 50 3HG1 VAL 7 3HG1 VAL 7 8.785 -4.447 -3.418 51 1HG2 VAL 7 1HG2 VAL 7 9.749 -6.724 -1.034 52 2HG2 VAL 7 2HG2 VAL 7 8.464 -6.154 0.057 53 3HG2 VAL 7 3HG2 VAL 7 8.264 -7.683 -0.831 54 H LEU 8 HN LEU 8 6.560 -3.226 0.477 55 HA LEU 8 HA LEU 8 7.996 -1.001 0.118 56 1HB LEU 8 2HB LEU 8 7.291 -2.522 2.608 57 2HB LEU 8 3HB LEU 8 8.189 -1.021 2.703 58 HG LEU 8 HG LEU 8 5.682 -0.871 3.019 59 1HD1 LEU 8 1HD1 LEU 8 5.871 1.015 0.910 60 2HD1 LEU 8 2HD1 LEU 8 6.104 1.274 2.656 61 3HD1 LEU 8 3HD1 LEU 8 7.493 0.852 1.625 62 1HD2 LEU 8 1HD2 LEU 8 4.845 -2.354 1.371 63 2HD2 LEU 8 2HD2 LEU 8 4.361 -0.716 0.871 64 3HD2 LEU 8 3HD2 LEU 8 5.728 -1.524 0.068 65 H LYS 9 HN LYS 9 10.096 -0.406 -0.071 66 HA LYS 9 HA LYS 9 12.098 -2.351 -0.146 67 1HB LYS 9 2HB LYS 9 12.156 -0.275 -1.445 68 2HB LYS 9 3HB LYS 9 12.292 0.671 0.023 69 1HG LYS 9 2HG LYS 9 14.309 -1.503 -0.194 70 2HG LYS 9 3HG LYS 9 14.435 -0.293 -1.455 71 1HD LYS 9 2HD LYS 9 14.009 0.855 1.251 72 2HD LYS 9 3HD LYS 9 15.498 -0.058 1.104 73 1HE LYS 9 2HE LYS 9 14.903 1.800 -1.166 74 2HE LYS 9 3HE LYS 9 15.245 2.573 0.369 75 1HZ LYS 9 1HZ LYS 9 17.133 1.843 -1.250 76 2HZ LYS 9 2HZ LYS 9 17.346 1.793 0.369 77 3HZ LYS 9 3HZ LYS 9 17.000 0.424 -0.452 78 H GLY 10 HN GLY 10 11.680 0.386 2.216 79 1HA GLY 10 1HA GLY 10 12.154 0.513 4.411 80 2HA GLY 10 2HA GLY 10 12.062 -1.235 4.488 81 H ASP 11 HN ASP 11 14.110 1.425 4.869 82 HA ASP 11 HA ASP 11 16.468 0.744 3.775 83 1HB ASP 11 2HB ASP 11 15.562 2.538 5.723 84 2HB ASP 11 3HB ASP 11 16.722 1.568 6.610 85 H GLY 12 HN GLY 12 14.642 -0.884 6.294 86 1HA GLY 12 1HA GLY 12 16.018 -3.233 6.317 87 2HA GLY 12 2HA GLY 12 16.851 -2.261 7.514 88 HA PRO 13 HA PRO 13 13.510 -2.667 10.294 89 1HB PRO 13 2HB PRO 13 12.658 -0.185 11.058 90 2HB PRO 13 3HB PRO 13 14.122 -0.927 11.672 91 1HG PRO 13 2HG PRO 13 13.837 1.245 9.687 92 2HG PRO 13 3HG PRO 13 15.249 0.786 10.618 93 1HD PRO 13 2HD PRO 13 14.756 0.213 7.851 94 2HD PRO 13 3HD PRO 13 16.112 -0.344 8.811 95 H VAL 14 HN VAL 14 12.840 -1.908 7.294 96 HA VAL 14 HA VAL 14 9.982 -2.229 7.804 97 HB VAL 14 HB VAL 14 11.333 -0.025 6.286 98 1HG1 VAL 14 1HG1 VAL 14 8.658 -1.279 5.652 99 2HG1 VAL 14 2HG1 VAL 14 9.007 0.427 5.284 100 3HG1 VAL 14 3HG1 VAL 14 9.988 -0.861 4.546 101 1HG2 VAL 14 1HG2 VAL 14 9.409 1.262 7.352 102 2HG2 VAL 14 2HG2 VAL 14 9.064 -0.216 8.282 103 3HG2 VAL 14 3HG2 VAL 14 10.634 0.604 8.464 104 H GLN 15 HN GLN 15 8.846 -3.279 6.043 105 HA GLN 15 HA GLN 15 10.064 -3.963 3.671 106 1HB GLN 15 2HB GLN 15 11.130 -5.480 5.797 107 2HB GLN 15 3HB GLN 15 9.971 -6.555 5.040 108 1HG GLN 15 2HG GLN 15 11.335 -5.282 2.889 109 2HG GLN 15 3HG GLN 15 12.579 -5.679 4.057 110 1HE2 GLN 15 1HE2 GLN 15 9.498 -7.269 3.273 111 2HE2 GLN 15 2HE2 GLN 15 10.149 -8.810 2.825 112 H GLY 16 HN GLY 16 7.562 -2.985 4.460 113 1HA GLY 16 1HA GLY 16 5.604 -5.014 4.778 114 2HA GLY 16 2HA GLY 16 5.342 -3.343 4.319 115 H ILE 17 HN ILE 17 3.772 -5.283 3.125 116 HA ILE 17 HA ILE 17 4.709 -5.092 0.377 117 HB ILE 17 HB ILE 17 3.993 -7.659 1.781 118 1HG1 ILE 17 2HG1 ILE 17 6.345 -7.133 -0.032 119 2HG1 ILE 17 3HG1 ILE 17 6.398 -6.694 1.664 120 1HG2 ILE 17 1HG2 ILE 17 3.753 -6.924 -1.110 121 2HG2 ILE 17 2HG2 ILE 17 4.317 -8.556 -0.674 122 3HG2 ILE 17 3HG2 ILE 17 2.732 -7.980 -0.104 123 1HD1 ILE 17 1HD1 ILE 17 6.044 -8.976 2.373 124 2HD1 ILE 17 2HD1 ILE 17 5.619 -9.486 0.722 125 3HD1 ILE 17 3HD1 ILE 17 7.294 -9.022 1.106 126 H ILE 18 HN ILE 18 3.159 -3.809 -0.485 127 HA ILE 18 HA ILE 18 0.420 -4.201 0.446 128 HB ILE 18 HB ILE 18 0.060 -2.032 0.046 129 1HG1 ILE 18 2HG1 ILE 18 1.572 -0.890 -1.888 130 2HG1 ILE 18 3HG1 ILE 18 1.547 -2.541 -2.474 131 1HG2 ILE 18 1HG2 ILE 18 1.983 -0.635 0.488 132 2HG2 ILE 18 2HG2 ILE 18 2.090 -2.126 1.455 133 3HG2 ILE 18 3HG2 ILE 18 3.088 -1.940 -0.007 134 1HD1 ILE 18 1HD1 ILE 18 -0.606 -0.555 -2.441 135 2HD1 ILE 18 2HD1 ILE 18 -0.499 -2.086 -3.341 136 3HD1 ILE 18 3HD1 ILE 18 -1.111 -2.078 -1.670 137 H ASN 19 HN ASN 19 -1.339 -4.181 -1.228 138 HA ASN 19 HA ASN 19 -0.415 -5.173 -3.784 139 1HB ASN 19 2HB ASN 19 -2.773 -6.588 -2.550 140 2HB ASN 19 3HB ASN 19 -1.577 -7.210 -3.671 141 1HD2 ASN 19 1HD2 ASN 19 -1.954 -6.000 -0.354 142 2HD2 ASN 19 2HD2 ASN 19 -0.811 -7.058 0.404 143 H PHE 20 HN PHE 20 -1.548 -4.018 -5.355 144 HA PHE 20 HA PHE 20 -3.964 -2.636 -4.504 145 1HB PHE 20 2HB PHE 20 -1.778 -2.402 -6.564 146 2HB PHE 20 3HB PHE 20 -3.357 -1.886 -7.122 147 HD1 PHE 20 1HD PHE 20 -2.441 0.388 -7.401 148 HD2 PHE 20 2HD PHE 20 -2.602 -1.478 -3.593 149 HE1 PHE 20 1HE PHE 20 -2.104 2.615 -6.295 150 HE2 PHE 20 2HE PHE 20 -2.265 0.749 -2.487 151 HZ PHE 20 HZ PHE 20 -2.021 2.770 -3.851 152 H GLU 21 HN GLU 21 -5.750 -3.958 -4.679 153 HA GLU 21 HA GLU 21 -5.967 -5.449 -7.173 154 1HB GLU 21 2HB GLU 21 -6.038 -6.726 -4.978 155 2HB GLU 21 3HB GLU 21 -7.525 -5.884 -4.588 156 1HG GLU 21 2HG GLU 21 -8.734 -6.925 -6.351 157 2HG GLU 21 3HG GLU 21 -7.280 -7.347 -7.233 158 H GLN 22 HN GLN 22 -7.357 -4.651 -8.687 159 HA GLN 22 HA GLN 22 -9.487 -2.929 -7.678 160 1HB GLN 22 2HB GLN 22 -7.847 -1.635 -8.961 161 2HB GLN 22 3HB GLN 22 -7.935 -2.766 -10.297 162 1HG GLN 22 2HG GLN 22 -10.560 -2.166 -10.167 163 2HG GLN 22 3HG GLN 22 -9.951 -0.704 -9.416 164 1HE2 GLN 22 1HE2 GLN 22 -10.041 0.835 -10.870 165 2HE2 GLN 22 2HE2 GLN 22 -9.426 0.781 -12.488 166 H LYS 23 HN LYS 23 -10.833 -4.879 -7.434 167 HA LYS 23 HA LYS 23 -11.368 -6.479 -9.730 168 1HB LYS 23 2HB LYS 23 -12.201 -6.377 -6.886 169 2HB LYS 23 3HB LYS 23 -13.378 -7.053 -7.993 170 1HG LYS 23 2HG LYS 23 -11.112 -8.298 -8.907 171 2HG LYS 23 3HG LYS 23 -10.680 -8.093 -7.221 172 1HD LYS 23 2HD LYS 23 -13.109 -9.050 -6.753 173 2HD LYS 23 3HD LYS 23 -13.005 -9.641 -8.399 174 1HE LYS 23 2HE LYS 23 -10.566 -10.182 -6.790 175 2HE LYS 23 3HE LYS 23 -12.007 -10.955 -6.159 176 1HZ LYS 23 1HZ LYS 23 -10.539 -11.594 -8.466 177 2HZ LYS 23 2HZ LYS 23 -11.722 -12.449 -7.732 178 3HZ LYS 23 3HZ LYS 23 -12.102 -11.330 -8.859 179 H GLU 24 HN GLU 24 -11.671 -4.220 -10.937 180 HA GLU 24 HA GLU 24 -14.493 -4.063 -11.334 181 1HB GLU 24 2HB GLU 24 -13.252 -2.150 -9.626 182 2HB GLU 24 3HB GLU 24 -13.546 -1.319 -11.141 183 1HG GLU 24 2HG GLU 24 -15.732 -3.026 -9.913 184 2HG GLU 24 3HG GLU 24 -15.449 -1.408 -9.304 185 H SER 25 HN SER 25 -11.311 -2.441 -12.015 186 HA SER 25 HA SER 25 -10.224 -2.324 -13.933 187 1HB SER 25 2HB SER 25 -11.724 -4.344 -14.682 188 2HB SER 25 3HB SER 25 -12.656 -3.141 -15.552 189 HG SER 25 HG SER 25 -10.585 -4.340 -16.519 190 H ASN 26 HN ASN 26 -13.149 -0.851 -13.017 191 HA ASN 26 HA ASN 26 -12.423 1.502 -14.457 192 1HB ASN 26 2HB ASN 26 -14.439 -0.201 -15.547 193 2HB ASN 26 3HB ASN 26 -15.314 1.116 -14.790 194 1HD2 ASN 26 1HD2 ASN 26 -13.772 0.083 -17.529 195 2HD2 ASN 26 2HD2 ASN 26 -13.499 1.589 -18.340 196 H GLY 27 HN GLY 27 -12.703 0.371 -11.646 197 1HA GLY 27 1HA GLY 27 -14.587 2.392 -10.601 198 2HA GLY 27 2HA GLY 27 -14.590 0.748 -9.996 199 HA PRO 28 HA PRO 28 -11.639 2.850 -7.356 200 1HB PRO 28 2HB PRO 28 -12.404 1.664 -5.015 201 2HB PRO 28 3HB PRO 28 -13.070 3.182 -5.582 202 1HG PRO 28 2HG PRO 28 -14.308 0.498 -5.588 203 2HG PRO 28 3HG PRO 28 -15.080 2.064 -5.743 204 1HD PRO 28 2HD PRO 28 -14.556 0.192 -7.853 205 2HD PRO 28 3HD PRO 28 -15.221 1.804 -8.023 206 H VAL 29 HN VAL 29 -9.910 2.048 -5.793 207 HA VAL 29 HA VAL 29 -9.145 -0.616 -6.772 208 HB VAL 29 HB VAL 29 -7.348 1.671 -5.945 209 1HG1 VAL 29 1HG1 VAL 29 -6.654 -0.893 -7.412 210 2HG1 VAL 29 2HG1 VAL 29 -5.533 0.348 -6.801 211 3HG1 VAL 29 3HG1 VAL 29 -6.454 -0.659 -5.658 212 1HG2 VAL 29 1HG2 VAL 29 -8.585 2.230 -7.996 213 2HG2 VAL 29 2HG2 VAL 29 -6.857 1.960 -8.330 214 3HG2 VAL 29 3HG2 VAL 29 -8.049 0.703 -8.737 215 H LYS 30 HN LYS 30 -9.192 -2.166 -5.237 216 HA LYS 30 HA LYS 30 -9.559 -1.427 -2.508 217 1HB LYS 30 2HB LYS 30 -9.794 -3.822 -4.168 218 2HB LYS 30 3HB LYS 30 -9.081 -4.169 -2.606 219 1HG LYS 30 2HG LYS 30 -10.963 -3.268 -1.415 220 2HG LYS 30 3HG LYS 30 -11.573 -2.441 -2.834 221 1HD LYS 30 2HD LYS 30 -12.184 -4.553 -3.899 222 2HD LYS 30 3HD LYS 30 -11.361 -5.480 -2.660 223 1HE LYS 30 2HE LYS 30 -13.361 -3.618 -1.530 224 2HE LYS 30 3HE LYS 30 -14.072 -4.763 -2.649 225 1HZ LYS 30 1HZ LYS 30 -12.191 -5.944 -0.864 226 2HZ LYS 30 2HZ LYS 30 -13.473 -5.282 -0.098 227 3HZ LYS 30 3HZ LYS 30 -13.705 -6.421 -1.245 228 H VAL 31 HN VAL 31 -7.754 -0.313 -1.739 229 HA VAL 31 HA VAL 31 -5.145 -1.482 -2.141 230 HB VAL 31 HB VAL 31 -6.197 1.005 -0.803 231 1HG1 VAL 31 1HG1 VAL 31 -3.633 -0.358 -0.380 232 2HG1 VAL 31 2HG1 VAL 31 -3.455 1.327 -0.926 233 3HG1 VAL 31 3HG1 VAL 31 -4.397 0.960 0.539 234 1HG2 VAL 31 1HG2 VAL 31 -4.986 0.317 -3.417 235 2HG2 VAL 31 2HG2 VAL 31 -6.109 1.626 -2.976 236 3HG2 VAL 31 3HG2 VAL 31 -4.367 1.801 -2.653 237 H TRP 32 HN TRP 32 -4.000 -2.691 -0.672 238 HA TRP 32 HA TRP 32 -4.623 -2.672 2.092 239 1HB TRP 32 2HB TRP 32 -6.042 -4.342 2.357 240 2HB TRP 32 3HB TRP 32 -6.355 -4.245 0.636 241 HD1 TRP 32 HD1 TRP 32 -3.998 -6.219 3.041 242 HE1 TRP 32 HE1 TRP 32 -3.447 -8.602 2.050 243 HE3 TRP 32 HE3 TRP 32 -6.426 -5.524 -1.372 244 HZ2 TRP 32 HZ2 TRP 32 -4.075 -9.899 -0.413 245 HZ3 TRP 32 HZ3 TRP 32 -6.409 -7.399 -3.015 246 HH2 TRP 32 HH2 TRP 32 -5.286 -9.529 -2.593 247 H GLY 33 HN GLY 33 -3.151 -4.296 3.235 248 1HA GLY 33 1HA GLY 33 -1.228 -5.818 1.938 249 2HA GLY 33 2HA GLY 33 -0.563 -4.204 2.082 250 H SER 34 HN SER 34 1.052 -5.354 3.514 251 HA SER 34 HA SER 34 0.199 -5.022 6.216 252 1HB SER 34 2HB SER 34 0.587 -7.713 5.019 253 2HB SER 34 3HB SER 34 1.475 -7.460 6.509 254 HG SER 34 HG SER 34 -1.327 -6.802 6.276 255 H ILE 35 HN ILE 35 1.863 -3.949 7.221 256 HA ILE 35 HA ILE 35 4.422 -3.882 5.892 257 HB ILE 35 HB ILE 35 2.899 -2.222 7.716 258 1HG1 ILE 35 2HG1 ILE 35 5.321 -1.186 6.369 259 2HG1 ILE 35 3HG1 ILE 35 4.149 -1.941 5.307 260 1HG2 ILE 35 1HG2 ILE 35 4.588 -3.103 9.328 261 2HG2 ILE 35 2HG2 ILE 35 5.865 -2.426 8.289 262 3HG2 ILE 35 3HG2 ILE 35 4.679 -1.345 9.060 263 1HD1 ILE 35 1HD1 ILE 35 2.364 -0.507 6.567 264 2HD1 ILE 35 2HD1 ILE 35 3.756 0.432 7.158 265 3HD1 ILE 35 3HD1 ILE 35 3.437 0.318 5.410 266 H LYS 36 HN LYS 36 6.462 -4.068 7.292 267 HA LYS 36 HA LYS 36 6.196 -5.858 9.534 268 1HB LYS 36 2HB LYS 36 7.499 -6.760 6.950 269 2HB LYS 36 3HB LYS 36 7.738 -7.551 8.495 270 1HG LYS 36 2HG LYS 36 5.059 -7.547 8.551 271 2HG LYS 36 3HG LYS 36 5.232 -7.391 6.814 272 1HD LYS 36 2HD LYS 36 6.587 -9.442 6.706 273 2HD LYS 36 3HD LYS 36 6.620 -9.561 8.454 274 1HE LYS 36 2HE LYS 36 3.908 -9.455 8.045 275 2HE LYS 36 3HE LYS 36 4.408 -10.219 6.548 276 1HZ LYS 36 1HZ LYS 36 5.830 -11.447 8.540 277 2HZ LYS 36 2HZ LYS 36 4.309 -11.320 9.120 278 3HZ LYS 36 3HZ LYS 36 4.580 -12.072 7.696 279 H GLY 37 HN GLY 37 7.539 -5.042 11.040 280 1HA GLY 37 1HA GLY 37 9.965 -4.736 11.463 281 2HA GLY 37 2HA GLY 37 9.976 -3.667 10.075 282 H LEU 38 HN LEU 38 7.396 -2.383 10.516 283 HA LEU 38 HA LEU 38 8.162 -0.275 12.106 284 1HB LEU 38 2HB LEU 38 5.685 -1.228 10.824 285 2HB LEU 38 3HB LEU 38 5.443 -0.147 12.181 286 HG LEU 38 HG LEU 38 7.433 1.114 10.695 287 1HD1 LEU 38 1HD1 LEU 38 7.057 0.954 8.457 288 2HD1 LEU 38 2HD1 LEU 38 6.610 -0.702 8.931 289 3HD1 LEU 38 3HD1 LEU 38 5.343 0.518 8.655 290 1HD2 LEU 38 1HD2 LEU 38 5.729 2.777 10.226 291 2HD2 LEU 38 2HD2 LEU 38 4.444 1.606 10.605 292 3HD2 LEU 38 3HD2 LEU 38 5.547 2.160 11.886 293 H THR 39 HN THR 39 6.134 0.295 13.943 294 HA THR 39 HA THR 39 6.203 -1.932 15.843 295 HB THR 39 HB THR 39 6.932 -0.228 17.604 296 HG1 THR 39 1HG THR 39 6.524 1.741 16.547 297 1HG2 THR 39 1HG2 THR 39 8.946 -0.293 15.314 298 2HG2 THR 39 2HG2 THR 39 9.272 -0.284 17.064 299 3HG2 THR 39 3HG2 THR 39 8.610 -1.743 16.290 300 H GLU 40 HN GLU 40 4.540 -1.901 17.427 301 HA GLU 40 HA GLU 40 2.126 -1.114 16.476 302 1HB GLU 40 2HB GLU 40 1.250 -1.627 18.693 303 2HB GLU 40 3HB GLU 40 2.523 -2.768 18.310 304 1HG GLU 40 2HG GLU 40 3.403 -2.196 20.335 305 2HG GLU 40 3HG GLU 40 3.973 -0.749 19.526 306 H GLY 41 HN GLY 41 1.370 0.905 16.020 307 1HA GLY 41 1HA GLY 41 0.836 2.884 17.775 308 2HA GLY 41 2HA GLY 41 2.500 3.217 17.335 309 H LEU 42 HN LEU 42 0.568 5.097 16.691 310 HA LEU 42 HA LEU 42 -0.491 4.670 14.092 311 1HB LEU 42 2HB LEU 42 -0.289 6.959 16.005 312 2HB LEU 42 3HB LEU 42 -0.704 7.282 14.333 313 HG LEU 42 HG LEU 42 -2.270 5.123 15.621 314 1HD1 LEU 42 1HD1 LEU 42 -2.814 6.219 17.474 315 2HD1 LEU 42 2HD1 LEU 42 -1.942 7.679 16.947 316 3HD1 LEU 42 3HD1 LEU 42 -3.630 7.421 16.445 317 1HD2 LEU 42 1HD2 LEU 42 -2.581 6.127 13.292 318 2HD2 LEU 42 2HD2 LEU 42 -4.031 5.950 14.309 319 3HD2 LEU 42 3HD2 LEU 42 -3.264 7.546 14.122 320 H HIS 43 HN HIS 43 0.154 5.728 12.105 321 HA HIS 43 HA HIS 43 2.881 6.748 12.133 322 1HB HIS 43 2HB HIS 43 2.058 4.768 10.024 323 2HB HIS 43 3HB HIS 43 3.667 5.300 10.471 324 HD1 HIS 43 HD1 HIS 43 1.688 2.404 10.701 325 HD2 HIS 43 HD2 HIS 43 4.072 4.467 13.469 326 HE1 HIS 43 HE1 HIS 43 2.244 0.736 12.550 327 H GLY 44 HN GLY 44 3.400 7.703 9.840 328 1HA GLY 44 1HA GLY 44 1.207 9.479 9.199 329 2HA GLY 44 2HA GLY 44 2.852 9.540 8.598 330 H PHE 45 HN PHE 45 1.434 10.011 6.552 331 HA PHE 45 HA PHE 45 0.176 7.722 5.392 332 1HB PHE 45 2HB PHE 45 1.128 10.328 4.079 333 2HB PHE 45 3HB PHE 45 -0.212 9.326 3.558 334 HD1 PHE 45 1HD PHE 45 -2.101 9.014 5.426 335 HD2 PHE 45 2HD PHE 45 0.633 12.255 5.241 336 HE1 PHE 45 1HE PHE 45 -3.679 10.423 6.778 337 HE2 PHE 45 2HE PHE 45 -0.945 13.663 6.592 338 HZ PHE 45 HZ PHE 45 -3.082 12.730 7.345 339 H HIS 46 HN HIS 46 0.821 7.258 2.939 340 HA HIS 46 HA HIS 46 3.694 7.322 2.600 341 1HB HIS 46 2HB HIS 46 3.773 4.881 2.127 342 2HB HIS 46 3HB HIS 46 3.485 5.280 3.809 343 HD1 HIS 46 HD1 HIS 46 2.615 2.614 3.563 344 HD2 HIS 46 HD2 HIS 46 0.161 5.664 2.054 345 HE1 HIS 46 HE1 HIS 46 0.278 1.612 3.350 346 H VAL 47 HN VAL 47 2.568 8.962 1.075 347 HA VAL 47 HA VAL 47 1.857 7.515 -1.382 348 HB VAL 47 HB VAL 47 0.677 10.015 -0.177 349 1HG1 VAL 47 1HG1 VAL 47 0.581 10.860 -2.258 350 2HG1 VAL 47 2HG1 VAL 47 1.008 9.304 -3.011 351 3HG1 VAL 47 3HG1 VAL 47 -0.678 9.635 -2.546 352 1HG2 VAL 47 1HG2 VAL 47 -0.283 7.834 0.506 353 2HG2 VAL 47 2HG2 VAL 47 -1.437 8.833 -0.409 354 3HG2 VAL 47 3HG2 VAL 47 -0.618 7.466 -1.203 355 H HIS 48 HN HIS 48 3.503 7.695 -2.806 356 HA HIS 48 HA HIS 48 4.682 10.329 -3.126 357 1HB HIS 48 2HB HIS 48 6.132 7.864 -2.244 358 2HB HIS 48 3HB HIS 48 6.942 8.946 -3.359 359 HD1 HIS 48 HD1 HIS 48 5.026 9.313 -0.045 360 HD2 HIS 48 HD2 HIS 48 8.363 10.867 -2.056 361 HE1 HIS 48 HE1 HIS 48 6.116 10.974 1.557 362 H GLU 49 HN GLU 49 2.879 9.733 -4.872 363 HA GLU 49 HA GLU 49 3.129 7.903 -6.766 364 1HB GLU 49 2HB GLU 49 1.528 9.976 -6.531 365 2HB GLU 49 3HB GLU 49 2.667 10.782 -7.592 366 1HG GLU 49 2HG GLU 49 1.288 9.876 -9.213 367 2HG GLU 49 3HG GLU 49 2.385 8.522 -9.030 368 H GLU 50 HN GLU 50 5.135 7.153 -7.451 369 HA GLU 50 HA GLU 50 6.491 8.823 -9.301 370 1HB GLU 50 2HB GLU 50 7.663 9.704 -7.423 371 2HB GLU 50 3HB GLU 50 7.762 8.143 -6.633 372 1HG GLU 50 2HG GLU 50 9.096 8.606 -9.325 373 2HG GLU 50 3HG GLU 50 9.896 9.076 -7.838 374 H GLU 51 HN GLU 51 7.581 7.573 -10.849 375 HA GLU 51 HA GLU 51 7.860 4.754 -10.187 376 1HB GLU 51 2HB GLU 51 5.790 5.531 -11.709 377 2HB GLU 51 3HB GLU 51 7.005 5.522 -12.971 378 1HG GLU 51 2HG GLU 51 7.624 3.134 -12.024 379 2HG GLU 51 3HG GLU 51 6.048 3.205 -11.260 380 H ASP 52 HN ASP 52 8.511 7.178 -12.829 381 HA ASP 52 HA ASP 52 10.336 7.725 -13.870 382 1HB ASP 52 2HB ASP 52 11.279 7.064 -11.288 383 2HB ASP 52 3HB ASP 52 12.349 6.193 -12.367 384 H ASN 53 HN ASN 53 12.516 6.547 -14.900 385 HA ASN 53 HA ASN 53 11.482 4.051 -15.934 386 1HB ASN 53 2HB ASN 53 13.065 4.382 -17.781 387 2HB ASN 53 3HB ASN 53 12.209 5.889 -17.517 388 1HD2 ASN 53 1HD2 ASN 53 13.239 7.655 -16.657 389 2HD2 ASN 53 2HD2 ASN 53 14.959 7.785 -16.497 390 H THR 54 HN THR 54 13.573 5.239 -13.536 391 HA THR 54 HA THR 54 15.337 2.886 -13.732 392 HB THR 54 HB THR 54 16.341 5.256 -13.939 393 HG1 THR 54 1HG THR 54 17.559 3.379 -13.209 394 1HG2 THR 54 1HG2 THR 54 16.655 6.497 -11.849 395 2HG2 THR 54 2HG2 THR 54 14.905 6.286 -12.094 396 3HG2 THR 54 3HG2 THR 54 15.772 5.254 -10.931 397 H ALA 55 HN ALA 55 13.572 5.042 -11.420 398 HA ALA 55 HA ALA 55 12.409 4.487 -9.601 399 1HB ALA 55 1HB ALA 55 12.459 2.063 -11.012 400 2HB ALA 55 2HB ALA 55 13.019 1.639 -9.377 401 3HB ALA 55 3HB ALA 55 11.449 2.450 -9.598 402 H GLY 56 HN GLY 56 13.284 5.242 -7.745 403 1HA GLY 56 1HA GLY 56 15.218 3.763 -6.284 404 2HA GLY 56 2HA GLY 56 15.975 5.114 -7.104 405 H CYS 57 HN CYS 57 12.632 4.854 -5.731 406 HA CYS 57 HA CYS 57 11.532 6.206 -4.381 407 1HB CYS 57 2HB CYS 57 13.612 5.030 -2.953 408 2HB CYS 57 3HB CYS 57 13.670 6.713 -2.467 409 H THR 58 HN THR 58 11.718 7.855 -6.222 410 HA THR 58 HA THR 58 13.144 10.226 -5.224 411 HB THR 58 HB THR 58 13.982 10.672 -7.425 412 HG1 THR 58 1HG THR 58 12.163 8.490 -8.173 413 1HG2 THR 58 1HG2 THR 58 15.112 8.633 -8.182 414 2HG2 THR 58 2HG2 THR 58 15.101 8.614 -6.402 415 3HG2 THR 58 3HG2 THR 58 13.943 7.612 -7.310 416 H SER 59 HN SER 59 12.047 11.531 -7.808 417 HA SER 59 HA SER 59 9.365 11.873 -6.716 418 1HB SER 59 2HB SER 59 11.125 13.880 -8.194 419 2HB SER 59 3HB SER 59 9.473 14.189 -7.697 420 HG SER 59 HG SER 59 11.628 13.486 -5.891 421 H ALA 60 HN ALA 60 11.218 12.462 -9.802 422 HA ALA 60 HA ALA 60 10.765 11.965 -11.911 423 1HB ALA 60 1HB ALA 60 8.613 10.036 -11.004 424 2HB ALA 60 2HB ALA 60 9.681 9.930 -12.424 425 3HB ALA 60 3HB ALA 60 10.341 9.665 -10.793 426 H GLY 61 HN GLY 61 7.476 11.500 -10.439 427 1HA GLY 61 1HA GLY 61 6.612 14.023 -11.648 428 2HA GLY 61 2HA GLY 61 5.838 12.549 -12.194 429 HA PRO 62 HA PRO 62 4.698 13.456 -7.653 430 1HB PRO 62 2HB PRO 62 4.680 16.094 -6.939 431 2HB PRO 62 3HB PRO 62 6.000 15.006 -6.555 432 1HG PRO 62 2HG PRO 62 5.882 17.123 -8.615 433 2HG PRO 62 3HG PRO 62 7.289 16.331 -7.934 434 1HD PRO 62 2HD PRO 62 6.117 15.837 -10.505 435 2HD PRO 62 3HD PRO 62 7.451 14.966 -9.777 436 H HIS 63 HN HIS 63 2.625 12.886 -7.680 437 HA HIS 63 HA HIS 63 0.892 14.812 -9.048 438 1HB HIS 63 2HB HIS 63 0.996 11.843 -9.005 439 2HB HIS 63 3HB HIS 63 -0.603 12.559 -8.960 440 HD1 HIS 63 HD1 HIS 63 2.381 12.093 -11.191 441 HD2 HIS 63 HD2 HIS 63 -1.374 13.958 -11.316 442 HE1 HIS 63 HE1 HIS 63 1.961 12.692 -13.636 443 H PHE 64 HN PHE 64 0.634 12.204 -6.521 444 HA PHE 64 HA PHE 64 -0.512 12.125 -4.634 445 1HB PHE 64 2HB PHE 64 0.232 15.112 -4.583 446 2HB PHE 64 3HB PHE 64 -0.168 14.156 -3.170 447 HD1 PHE 64 1HD PHE 64 1.517 13.067 -1.985 448 HD2 PHE 64 2HD PHE 64 2.296 14.360 -5.950 449 HE1 PHE 64 1HE PHE 64 3.937 12.465 -1.705 450 HE2 PHE 64 2HE PHE 64 4.717 13.759 -5.671 451 HZ PHE 64 HZ PHE 64 5.509 12.818 -3.552 452 H ASN 65 HN ASN 65 -2.088 13.956 -3.169 453 HA ASN 65 HA ASN 65 -4.390 13.959 -4.852 454 1HB ASN 65 2HB ASN 65 -3.975 13.598 -2.132 455 2HB ASN 65 3HB ASN 65 -4.545 15.255 -2.161 456 1HD2 ASN 65 1HD2 ASN 65 -6.559 15.148 -1.471 457 2HD2 ASN 65 2HD2 ASN 65 -7.829 14.177 -2.136 458 HA PRO 66 HA PRO 66 -3.705 18.237 -5.769 459 1HB PRO 66 2HB PRO 66 -5.774 18.574 -7.522 460 2HB PRO 66 3HB PRO 66 -4.209 17.944 -7.996 461 1HG PRO 66 2HG PRO 66 -6.755 16.490 -7.619 462 2HG PRO 66 3HG PRO 66 -5.317 15.981 -8.484 463 1HD PRO 66 2HD PRO 66 -6.156 15.107 -5.883 464 2HD PRO 66 3HD PRO 66 -4.662 14.689 -6.699 465 H LEU 67 HN LEU 67 -4.047 18.917 -3.598 466 HA LEU 67 HA LEU 67 -6.172 20.699 -3.416 467 1HB LEU 67 2HB LEU 67 -6.845 17.970 -2.709 468 2HB LEU 67 3HB LEU 67 -7.022 19.040 -1.332 469 HG LEU 67 HG LEU 67 -8.250 19.705 -4.009 470 1HD1 LEU 67 1HD1 LEU 67 -9.868 18.380 -1.865 471 2HD1 LEU 67 2HD1 LEU 67 -10.143 18.465 -3.622 472 3HD1 LEU 67 3HD1 LEU 67 -8.893 17.379 -2.968 473 1HD2 LEU 67 1HD2 LEU 67 -9.022 20.522 -1.195 474 2HD2 LEU 67 2HD2 LEU 67 -8.044 21.500 -2.314 475 3HD2 LEU 67 3HD2 LEU 67 -9.732 21.107 -2.718 476 H SER 68 HN SER 68 -4.176 18.379 -1.467 477 HA SER 68 HA SER 68 -3.091 18.697 0.420 478 1HB SER 68 2HB SER 68 -1.268 19.310 -0.891 479 2HB SER 68 3HB SER 68 -2.065 20.731 -1.536 480 HG SER 68 HG SER 68 -1.266 20.537 1.235 481 H ARG 69 HN ARG 69 -2.882 22.209 -0.107 482 HA ARG 69 HA ARG 69 -3.702 23.923 0.929 483 1HB ARG 69 2HB ARG 69 -5.900 21.984 1.788 484 2HB ARG 69 3HB ARG 69 -5.928 23.680 2.228 485 1HG ARG 69 2HG ARG 69 -5.378 23.430 -0.621 486 2HG ARG 69 3HG ARG 69 -6.809 22.500 -0.221 487 1HD ARG 69 2HD ARG 69 -7.878 24.454 0.803 488 2HD ARG 69 3HD ARG 69 -6.406 25.395 0.668 489 HE ARG 69 HE ARG 69 -7.346 24.358 -1.906 490 1HH1 ARG 69 2HH2 ARG 69 -7.617 26.992 0.411 491 2HH1 ARG 69 1HH2 ARG 69 -8.179 28.136 -0.762 492 1HH2 ARG 69 2HH1 ARG 69 -8.086 25.867 -3.454 493 2HH2 ARG 69 1HH1 ARG 69 -8.447 27.492 -2.976 494 H LYS 70 HN LYS 70 -4.473 21.149 3.173 495 HA LYS 70 HA LYS 70 -2.328 21.622 4.884 496 1HB LYS 70 2HB LYS 70 -3.380 22.708 6.776 497 2HB LYS 70 3HB LYS 70 -3.459 23.749 5.369 498 1HG LYS 70 2HG LYS 70 -5.749 23.654 5.260 499 2HG LYS 70 3HG LYS 70 -5.797 21.940 5.622 500 1HD LYS 70 2HD LYS 70 -6.213 22.322 7.825 501 2HD LYS 70 3HD LYS 70 -4.876 23.447 7.956 502 1HE LYS 70 2HE LYS 70 -6.722 24.918 6.475 503 2HE LYS 70 3HE LYS 70 -7.764 23.993 7.537 504 1HZ LYS 70 1HZ LYS 70 -6.088 26.153 8.170 505 2HZ LYS 70 2HZ LYS 70 -7.237 25.443 9.088 506 3HZ LYS 70 3HZ LYS 70 -5.708 24.869 9.105 507 H HIS 71 HN HIS 71 -2.628 20.332 6.990 508 HA HIS 71 HA HIS 71 -4.047 17.928 6.254 509 1HB HIS 71 2HB HIS 71 -1.964 17.342 6.994 510 2HB HIS 71 3HB HIS 71 -1.863 18.663 8.140 511 HD1 HIS 71 HD1 HIS 71 -3.876 15.412 7.767 512 HD2 HIS 71 HD2 HIS 71 -2.168 17.846 10.725 513 HE1 HIS 71 HE1 HIS 71 -4.248 14.208 9.986 514 H GLY 72 HN GLY 72 -5.151 16.736 8.236 515 1HA GLY 72 1HA GLY 72 -6.495 18.567 10.054 516 2HA GLY 72 2HA GLY 72 -7.511 17.812 8.842 517 H GLY 73 HN GLY 73 -7.733 15.456 8.793 518 1HA GLY 73 1HA GLY 73 -6.585 13.980 11.033 519 2HA GLY 73 2HA GLY 73 -8.327 14.172 11.028 520 HA PRO 74 HA PRO 74 -8.210 10.621 8.471 521 1HB PRO 74 2HB PRO 74 -10.902 10.158 8.376 522 2HB PRO 74 3HB PRO 74 -9.877 9.588 9.678 523 1HG PRO 74 2HG PRO 74 -11.793 11.840 9.677 524 2HG PRO 74 3HG PRO 74 -11.090 10.997 11.044 525 1HD PRO 74 2HD PRO 74 -10.341 13.582 10.053 526 2HD PRO 74 3HD PRO 74 -9.563 12.689 11.345 527 H LYS 75 HN LYS 75 -7.660 12.954 7.178 528 HA LYS 75 HA LYS 75 -8.222 14.183 5.348 529 1HB LYS 75 2HB LYS 75 -7.708 12.878 3.352 530 2HB LYS 75 3HB LYS 75 -6.622 12.473 4.666 531 1HG LYS 75 2HG LYS 75 -7.185 10.300 4.324 532 2HG LYS 75 3HG LYS 75 -8.745 10.676 5.028 533 1HD LYS 75 2HD LYS 75 -9.820 10.604 3.007 534 2HD LYS 75 3HD LYS 75 -8.544 11.481 2.186 535 1HE LYS 75 2HE LYS 75 -7.683 9.556 1.345 536 2HE LYS 75 3HE LYS 75 -7.535 8.867 2.949 537 1HZ LYS 75 1HZ LYS 75 -9.024 7.499 1.897 538 2HZ LYS 75 2HZ LYS 75 -10.029 8.488 2.720 539 3HZ LYS 75 3HZ LYS 75 -9.799 8.707 1.118 540 H ASP 76 HN ASP 76 -10.516 14.419 6.454 541 HA ASP 76 HA ASP 76 -12.510 13.053 4.876 542 1HB ASP 76 2HB ASP 76 -12.478 13.630 7.508 543 2HB ASP 76 3HB ASP 76 -13.170 15.141 6.953 544 H GLU 77 HN GLU 77 -11.937 16.446 6.108 545 HA GLU 77 HA GLU 77 -12.988 17.385 3.553 546 1HB GLU 77 2HB GLU 77 -14.048 17.926 5.982 547 2HB GLU 77 3HB GLU 77 -12.860 19.213 5.933 548 1HG GLU 77 2HG GLU 77 -14.589 20.308 4.852 549 2HG GLU 77 3HG GLU 77 -13.848 19.557 3.453 550 H GLU 78 HN GLU 78 -10.129 16.655 4.788 551 HA GLU 78 HA GLU 78 -8.913 19.118 3.805 552 1HB GLU 78 2HB GLU 78 -7.072 18.803 5.414 553 2HB GLU 78 3HB GLU 78 -8.606 18.936 6.252 554 1HG GLU 78 2HG GLU 78 -7.620 16.184 5.481 555 2HG GLU 78 3HG GLU 78 -6.872 16.986 6.848 556 H ARG 79 HN ARG 79 -6.349 18.496 3.386 557 HA ARG 79 HA ARG 79 -6.225 15.875 2.212 558 1HB ARG 79 2HB ARG 79 -5.931 18.469 0.629 559 2HB ARG 79 3HB ARG 79 -5.262 16.955 0.055 560 1HG ARG 79 2HG ARG 79 -7.363 16.928 -0.975 561 2HG ARG 79 3HG ARG 79 -7.696 16.007 0.478 562 1HD ARG 79 2HD ARG 79 -8.133 18.613 1.351 563 2HD ARG 79 3HD ARG 79 -8.675 18.699 -0.313 564 HE ARG 79 HE ARG 79 -9.708 16.319 0.977 565 1HH1 ARG 79 2HH2 ARG 79 -10.183 19.798 0.744 566 2HH1 ARG 79 1HH2 ARG 79 -11.863 19.725 1.157 567 1HH2 ARG 79 2HH1 ARG 79 -11.925 16.222 1.522 568 2HH2 ARG 79 1HH1 ARG 79 -12.861 17.677 1.602 569 H HIS 80 HN HIS 80 -4.372 15.104 3.189 570 HA HIS 80 HA HIS 80 -2.291 16.964 3.887 571 1HB HIS 80 2HB HIS 80 -1.241 14.805 4.807 572 2HB HIS 80 3HB HIS 80 -2.678 15.437 5.586 573 HD1 HIS 80 HD1 HIS 80 -1.401 12.505 3.655 574 HD2 HIS 80 HD2 HIS 80 -5.064 13.900 5.149 575 HE1 HIS 80 HE1 HIS 80 -3.020 10.536 3.533 576 H VAL 81 HN VAL 81 -2.560 17.064 1.167 577 HA VAL 81 HA VAL 81 -1.627 16.577 -0.809 578 HB VAL 81 HB VAL 81 -0.060 18.105 0.154 579 1HG1 VAL 81 1HG1 VAL 81 1.129 15.666 1.500 580 2HG1 VAL 81 2HG1 VAL 81 1.998 17.212 1.349 581 3HG1 VAL 81 3HG1 VAL 81 0.470 17.135 2.259 582 1HG2 VAL 81 1HG2 VAL 81 1.943 16.195 -0.873 583 2HG2 VAL 81 2HG2 VAL 81 0.519 16.415 -1.918 584 3HG2 VAL 81 3HG2 VAL 81 1.503 17.822 -1.446 585 H GLY 82 HN GLY 82 -2.591 14.215 0.592 586 1HA GLY 82 1HA GLY 82 -1.576 12.201 -1.000 587 2HA GLY 82 2HA GLY 82 -0.642 12.143 0.482 588 H ASP 83 HN ASP 83 -4.096 13.132 0.072 589 HA ASP 83 HA ASP 83 -5.160 12.131 2.213 590 1HB ASP 83 2HB ASP 83 -6.189 11.909 -0.641 591 2HB ASP 83 3HB ASP 83 -7.182 11.407 0.712 592 H LEU 84 HN LEU 84 -5.400 10.112 3.222 593 HA LEU 84 HA LEU 84 -5.788 7.724 1.824 594 1HB LEU 84 2HB LEU 84 -3.503 7.940 1.116 595 2HB LEU 84 3HB LEU 84 -2.964 8.230 2.758 596 HG LEU 84 HG LEU 84 -4.392 5.686 2.475 597 1HD1 LEU 84 1HD1 LEU 84 -3.561 5.171 0.441 598 2HD1 LEU 84 2HD1 LEU 84 -2.243 6.363 0.550 599 3HD1 LEU 84 3HD1 LEU 84 -2.095 4.794 1.378 600 1HD2 LEU 84 1HD2 LEU 84 -2.480 6.846 4.154 601 2HD2 LEU 84 2HD2 LEU 84 -3.111 5.183 4.218 602 3HD2 LEU 84 3HD2 LEU 84 -1.622 5.535 3.309 603 H GLY 85 HN GLY 85 -4.242 9.170 4.768 604 1HA GLY 85 1HA GLY 85 -5.622 9.095 6.783 605 2HA GLY 85 2HA GLY 85 -6.021 7.437 6.379 606 H ASN 86 HN ASN 86 -4.892 8.099 8.881 607 HA ASN 86 HA ASN 86 -2.082 7.634 8.700 608 1HB ASN 86 2HB ASN 86 -3.876 7.617 11.181 609 2HB ASN 86 3HB ASN 86 -2.134 7.807 11.164 610 1HD2 ASN 86 1HD2 ASN 86 -3.304 9.678 12.474 611 2HD2 ASN 86 2HD2 ASN 86 -3.442 11.178 11.620 612 H VAL 87 HN VAL 87 -1.093 5.595 8.938 613 HA VAL 87 HA VAL 87 -2.904 3.344 9.374 614 HB VAL 87 HB VAL 87 -1.197 2.012 8.328 615 1HG1 VAL 87 1HG1 VAL 87 -0.928 3.894 6.247 616 2HG1 VAL 87 2HG1 VAL 87 -2.177 2.638 6.423 617 3HG1 VAL 87 3HG1 VAL 87 -2.467 4.277 7.054 618 1HG2 VAL 87 1HG2 VAL 87 0.805 3.412 7.308 619 2HG2 VAL 87 2HG2 VAL 87 0.485 4.464 8.707 620 3HG2 VAL 87 3HG2 VAL 87 0.890 2.749 8.957 621 H THR 88 HN THR 88 -2.504 1.766 10.980 622 HA THR 88 HA THR 88 -0.434 2.524 12.934 623 HB THR 88 HB THR 88 -3.310 1.581 13.416 624 HG1 THR 88 1HG THR 88 -3.556 3.777 13.866 625 1HG2 THR 88 1HG2 THR 88 -0.897 1.895 15.197 626 2HG2 THR 88 2HG2 THR 88 -2.445 2.526 15.808 627 3HG2 THR 88 3HG2 THR 88 -2.295 0.806 15.374 628 H ALA 89 HN ALA 89 0.499 0.789 14.165 629 HA ALA 89 HA ALA 89 0.684 -1.598 12.548 630 1HB ALA 89 1HB ALA 89 2.799 -1.107 13.248 631 2HB ALA 89 2HB ALA 89 2.232 -0.243 14.697 632 3HB ALA 89 3HB ALA 89 2.307 -2.021 14.694 633 H ASP 90 HN ASP 90 0.617 -3.786 13.668 634 HA ASP 90 HA ASP 90 -1.858 -3.941 15.033 635 1HB ASP 90 2HB ASP 90 -1.375 -5.716 13.505 636 2HB ASP 90 3HB ASP 90 0.246 -5.935 14.133 637 H LYS 91 HN LYS 91 0.827 -6.094 15.963 638 HA LYS 91 HA LYS 91 1.087 -4.725 18.532 639 1HB LYS 91 2HB LYS 91 0.736 -6.728 19.789 640 2HB LYS 91 3HB LYS 91 -0.653 -6.496 18.747 641 1HG LYS 91 2HG LYS 91 0.246 -8.135 17.121 642 2HG LYS 91 3HG LYS 91 1.707 -8.315 18.071 643 1HD LYS 91 2HD LYS 91 0.715 -9.784 19.500 644 2HD LYS 91 3HD LYS 91 -0.671 -8.737 19.735 645 1HE LYS 91 2HE LYS 91 -1.294 -9.559 17.255 646 2HE LYS 91 3HE LYS 91 -0.261 -10.910 17.678 647 1HZ LYS 91 1HZ LYS 91 -2.766 -10.905 18.278 648 2HZ LYS 91 2HZ LYS 91 -1.678 -11.572 19.298 649 3HZ LYS 91 3HZ LYS 91 -2.272 -10.080 19.598 650 H ASP 92 HN ASP 92 2.560 -5.479 15.786 651 HA ASP 92 HA ASP 92 5.068 -5.799 17.131 652 1HB ASP 92 2HB ASP 92 3.753 -7.988 15.702 653 2HB ASP 92 3HB ASP 92 5.257 -7.568 14.908 654 H GLY 93 HN GLY 93 3.455 -3.818 15.455 655 1HA GLY 93 1HA GLY 93 4.271 -2.163 14.064 656 2HA GLY 93 2HA GLY 93 5.545 -3.229 13.505 657 H VAL 94 HN VAL 94 3.797 -5.553 12.954 658 HA VAL 94 HA VAL 94 3.305 -5.291 10.340 659 HB VAL 94 HB VAL 94 1.514 -6.797 12.253 660 1HG1 VAL 94 1HG1 VAL 94 0.762 -6.761 9.901 661 2HG1 VAL 94 2HG1 VAL 94 2.342 -7.406 9.394 662 3HG1 VAL 94 3HG1 VAL 94 1.266 -8.388 10.416 663 1HG2 VAL 94 1HG2 VAL 94 3.462 -7.681 12.995 664 2HG2 VAL 94 2HG2 VAL 94 3.371 -8.623 11.487 665 3HG2 VAL 94 3HG2 VAL 94 4.374 -7.155 11.561 666 H ALA 95 HN ALA 95 2.468 -3.398 9.499 667 HA ALA 95 HA ALA 95 -0.151 -2.573 10.528 668 1HB ALA 95 1HB ALA 95 2.046 -1.068 10.288 669 2HB ALA 95 2HB ALA 95 1.461 -0.918 8.614 670 3HB ALA 95 3HB ALA 95 0.424 -0.409 9.967 671 H ASP 96 HN ASP 96 -1.874 -3.307 9.398 672 HA ASP 96 HA ASP 96 -1.405 -3.913 6.593 673 1HB ASP 96 2HB ASP 96 -2.230 -5.842 7.765 674 2HB ASP 96 3HB ASP 96 -3.414 -4.901 8.648 675 H VAL 97 HN VAL 97 -2.891 -3.028 5.000 676 HA VAL 97 HA VAL 97 -4.651 -0.929 6.068 677 HB VAL 97 HB VAL 97 -3.211 -1.020 3.410 678 1HG1 VAL 97 1HG1 VAL 97 -4.996 1.027 4.742 679 2HG1 VAL 97 2HG1 VAL 97 -3.849 1.464 3.453 680 3HG1 VAL 97 3HG1 VAL 97 -5.150 0.294 3.127 681 1HG2 VAL 97 1HG2 VAL 97 -2.561 0.686 5.835 682 2HG2 VAL 97 2HG2 VAL 97 -1.674 -0.784 5.367 683 3HG2 VAL 97 3HG2 VAL 97 -1.684 0.631 4.287 684 H SER 98 HN SER 98 -6.549 -0.438 4.555 685 HA SER 98 HA SER 98 -7.318 -2.352 2.690 686 1HB SER 98 2HB SER 98 -7.665 -3.872 4.543 687 2HB SER 98 3HB SER 98 -8.500 -2.648 5.479 688 HG SER 98 HG SER 98 -10.106 -3.947 4.594 689 H ILE 99 HN ILE 99 -7.738 -0.345 1.572 690 HA ILE 99 HA ILE 99 -10.233 0.909 2.449 691 HB ILE 99 HB ILE 99 -7.725 2.347 1.578 692 1HG1 ILE 99 2HG1 ILE 99 -8.969 3.177 4.078 693 2HG1 ILE 99 3HG1 ILE 99 -8.520 1.484 4.117 694 1HG2 ILE 99 1HG2 ILE 99 -10.541 3.359 2.018 695 2HG2 ILE 99 2HG2 ILE 99 -9.106 4.411 1.998 696 3HG2 ILE 99 3HG2 ILE 99 -9.545 3.477 0.548 697 1HD1 ILE 99 1HD1 ILE 99 -6.232 2.240 3.136 698 2HD1 ILE 99 2HD1 ILE 99 -6.735 3.886 3.592 699 3HD1 ILE 99 3HD1 ILE 99 -6.564 2.629 4.841 700 H GLU 100 HN GLU 100 -11.222 2.214 0.566 701 HA GLU 100 HA GLU 100 -10.468 0.996 -1.962 702 1HB GLU 100 2HB GLU 100 -12.342 -0.341 -1.200 703 2HB GLU 100 3HB GLU 100 -13.262 1.083 -0.754 704 1HG GLU 100 2HG GLU 100 -13.222 1.790 -3.203 705 2HG GLU 100 3HG GLU 100 -12.466 0.256 -3.584 706 H ASP 101 HN ASP 101 -9.631 2.854 -2.908 707 HA ASP 101 HA ASP 101 -11.127 5.292 -2.604 708 1HB ASP 101 2HB ASP 101 -8.438 4.762 -2.763 709 2HB ASP 101 3HB ASP 101 -8.765 5.146 -4.441 710 H SER 102 HN SER 102 -12.122 6.389 -4.421 711 HA SER 102 HA SER 102 -12.241 4.754 -6.836 712 1HB SER 102 2HB SER 102 -14.551 5.745 -7.158 713 2HB SER 102 3HB SER 102 -14.406 4.666 -5.785 714 HG SER 102 HG SER 102 -15.070 6.271 -4.549 715 H VAL 103 HN VAL 103 -12.264 8.052 -5.382 716 HA VAL 103 HA VAL 103 -12.446 9.594 -7.619 717 HB VAL 103 HB VAL 103 -10.871 9.904 -5.068 718 1HG1 VAL 103 1HG1 VAL 103 -10.804 11.572 -7.494 719 2HG1 VAL 103 2HG1 VAL 103 -11.198 12.465 -6.005 720 3HG1 VAL 103 3HG1 VAL 103 -9.694 11.518 -6.104 721 1HG2 VAL 103 1HG2 VAL 103 -13.533 10.944 -6.072 722 2HG2 VAL 103 2HG2 VAL 103 -13.213 9.903 -4.664 723 3HG2 VAL 103 3HG2 VAL 103 -12.709 11.610 -4.642 724 H ILE 104 HN ILE 104 -9.876 7.401 -6.659 725 HA ILE 104 HA ILE 104 -8.245 8.457 -8.863 726 HB ILE 104 HB ILE 104 -6.313 7.524 -7.709 727 1HG1 ILE 104 2HG1 ILE 104 -6.652 6.888 -5.247 728 2HG1 ILE 104 3HG1 ILE 104 -8.349 6.691 -5.637 729 1HG2 ILE 104 1HG2 ILE 104 -7.257 9.108 -5.480 730 2HG2 ILE 104 2HG2 ILE 104 -6.040 9.493 -6.720 731 3HG2 ILE 104 3HG2 ILE 104 -7.761 9.823 -7.030 732 1HD1 ILE 104 1HD1 ILE 104 -7.989 4.731 -6.745 733 2HD1 ILE 104 2HD1 ILE 104 -6.565 5.377 -7.596 734 3HD1 ILE 104 3HD1 ILE 104 -6.400 4.738 -5.943 735 H SER 105 HN SER 105 -7.071 6.811 -10.148 736 HA SER 105 HA SER 105 -8.114 4.145 -9.898 737 1HB SER 105 2HB SER 105 -9.728 5.426 -11.382 738 2HB SER 105 3HB SER 105 -8.413 5.689 -12.510 739 HG SER 105 HG SER 105 -8.883 3.007 -11.679 740 H LEU 106 HN LEU 106 -6.914 2.611 -11.420 741 HA LEU 106 HA LEU 106 -4.157 3.222 -11.347 742 1HB LEU 106 2HB LEU 106 -5.510 0.966 -12.823 743 2HB LEU 106 3HB LEU 106 -3.849 1.038 -12.267 744 HG LEU 106 HG LEU 106 -6.012 1.273 -10.217 745 1HD1 LEU 106 1HD1 LEU 106 -6.938 -0.537 -11.407 746 2HD1 LEU 106 2HD1 LEU 106 -5.342 -1.262 -11.716 747 3HD1 LEU 106 3HD1 LEU 106 -6.019 -1.267 -10.069 748 1HD2 LEU 106 1HD2 LEU 106 -3.360 -0.192 -10.199 749 2HD2 LEU 106 2HD2 LEU 106 -3.603 1.484 -9.648 750 3HD2 LEU 106 3HD2 LEU 106 -4.419 0.143 -8.808 751 H SER 107 HN SER 107 -6.733 3.743 -13.669 752 HA SER 107 HA SER 107 -4.716 4.808 -15.464 753 1HB SER 107 2HB SER 107 -6.482 2.548 -15.997 754 2HB SER 107 3HB SER 107 -6.823 3.854 -17.115 755 HG SER 107 HG SER 107 -4.081 3.271 -16.669 756 H GLY 108 HN GLY 108 -6.044 6.130 -17.319 757 1HA GLY 108 1HA GLY 108 -7.924 7.467 -17.788 758 2HA GLY 108 2HA GLY 108 -8.376 7.442 -16.094 759 H ASP 109 HN ASP 109 -8.413 9.665 -15.679 760 HA ASP 109 HA ASP 109 -6.084 11.178 -16.443 761 1HB ASP 109 2HB ASP 109 -8.679 11.860 -16.497 762 2HB ASP 109 3HB ASP 109 -8.377 12.306 -14.829 763 H HIS 110 HN HIS 110 -5.920 9.047 -14.354 764 HA HIS 110 HA HIS 110 -5.136 10.760 -12.120 765 1HB HIS 110 2HB HIS 110 -6.684 8.163 -11.967 766 2HB HIS 110 3HB HIS 110 -5.863 8.878 -10.594 767 HD1 HIS 110 HD1 HIS 110 -8.961 9.116 -12.625 768 HD2 HIS 110 HD2 HIS 110 -6.988 11.404 -9.715 769 HE1 HIS 110 HE1 HIS 110 -10.661 10.823 -11.784 770 H SER 111 HN SER 111 -4.978 7.325 -13.318 771 HA SER 111 HA SER 111 -3.334 5.905 -13.406 772 1HB SER 111 2HB SER 111 -2.483 7.212 -15.220 773 2HB SER 111 3HB SER 111 -1.878 8.462 -14.152 774 HG SER 111 HG SER 111 -0.146 7.204 -13.563 775 H ILE 112 HN ILE 112 -3.426 5.322 -11.134 776 HA ILE 112 HA ILE 112 -1.568 6.714 -9.383 777 HB ILE 112 HB ILE 112 -2.634 5.524 -7.601 778 1HG1 ILE 112 2HG1 ILE 112 -4.434 4.100 -9.560 779 2HG1 ILE 112 3HG1 ILE 112 -2.919 3.393 -9.035 780 1HG2 ILE 112 1HG2 ILE 112 -4.237 7.054 -7.613 781 2HG2 ILE 112 2HG2 ILE 112 -3.944 7.326 -9.347 782 3HG2 ILE 112 3HG2 ILE 112 -5.154 6.129 -8.827 783 1HD1 ILE 112 1HD1 ILE 112 -5.446 3.518 -7.620 784 2HD1 ILE 112 2HD1 ILE 112 -3.956 2.657 -7.164 785 3HD1 ILE 112 3HD1 ILE 112 -4.193 4.350 -6.668 786 H ILE 113 HN ILE 113 -1.451 4.281 -11.680 787 HA ILE 113 HA ILE 113 -0.041 2.268 -10.344 788 HB ILE 113 HB ILE 113 -0.214 3.130 -13.223 789 1HG1 ILE 113 2HG1 ILE 113 -2.230 2.172 -12.065 790 2HG1 ILE 113 3HG1 ILE 113 -1.699 1.301 -13.490 791 1HG2 ILE 113 1HG2 ILE 113 1.428 0.930 -11.986 792 2HG2 ILE 113 2HG2 ILE 113 0.784 0.786 -13.639 793 3HG2 ILE 113 3HG2 ILE 113 1.884 2.122 -13.226 794 1HD1 ILE 113 1HD1 ILE 113 -1.259 0.535 -10.577 795 2HD1 ILE 113 2HD1 ILE 113 -2.144 -0.371 -11.827 796 3HD1 ILE 113 3HD1 ILE 113 -0.371 -0.239 -11.912 797 H GLY 114 HN GLY 114 1.682 2.790 -9.064 798 1HA GLY 114 1HA GLY 114 4.138 2.984 -9.463 799 2HA GLY 114 2HA GLY 114 3.774 4.485 -10.291 800 H ARG 115 HN ARG 115 2.179 3.199 -7.317 801 HA ARG 115 HA ARG 115 2.715 5.702 -6.058 802 1HB ARG 115 2HB ARG 115 1.310 3.203 -4.983 803 2HB ARG 115 3HB ARG 115 1.294 4.778 -4.215 804 1HG ARG 115 2HG ARG 115 0.470 5.336 -6.843 805 2HG ARG 115 3HG ARG 115 -0.293 3.795 -6.501 806 1HD ARG 115 2HD ARG 115 -1.912 5.162 -5.573 807 2HD ARG 115 3HD ARG 115 -0.878 5.029 -4.164 808 HE ARG 115 HE ARG 115 0.171 7.186 -5.606 809 1HH1 ARG 115 2HH2 ARG 115 -2.948 6.384 -4.189 810 2HH1 ARG 115 1HH2 ARG 115 -3.384 8.034 -3.898 811 1HH2 ARG 115 2HH1 ARG 115 -0.404 9.364 -5.223 812 2HH2 ARG 115 1HH1 ARG 115 -1.927 9.741 -4.490 813 H THR 116 HN THR 116 4.831 5.925 -5.318 814 HA THR 116 HA THR 116 6.326 3.693 -4.364 815 HB THR 116 HB THR 116 6.804 6.717 -4.205 816 HG1 THR 116 1HG THR 116 6.482 5.772 -6.371 817 1HG2 THR 116 1HG2 THR 116 8.912 6.245 -3.439 818 2HG2 THR 116 2HG2 THR 116 8.296 4.623 -3.039 819 3HG2 THR 116 3HG2 THR 116 9.098 4.910 -4.602 820 H LEU 117 HN LEU 117 4.344 3.129 -2.879 821 HA LEU 117 HA LEU 117 3.665 4.474 -0.655 822 1HB LEU 117 2HB LEU 117 4.063 1.564 -1.228 823 2HB LEU 117 3HB LEU 117 3.650 2.072 0.398 824 HG LEU 117 HG LEU 117 1.782 1.367 -1.280 825 1HD1 LEU 117 1HD1 LEU 117 1.626 3.795 0.519 826 2HD1 LEU 117 2HD1 LEU 117 0.207 3.000 -0.204 827 3HD1 LEU 117 3HD1 LEU 117 1.251 2.102 0.924 828 1HD2 LEU 117 1HD2 LEU 117 2.128 2.650 -3.176 829 2HD2 LEU 117 2HD2 LEU 117 0.826 3.535 -2.344 830 3HD2 LEU 117 3HD2 LEU 117 2.505 4.120 -2.245 831 H VAL 118 HN VAL 118 4.877 5.597 0.768 832 HA VAL 118 HA VAL 118 7.291 4.258 1.766 833 HB VAL 118 HB VAL 118 8.067 5.903 0.248 834 1HG1 VAL 118 1HG1 VAL 118 5.727 7.391 1.144 835 2HG1 VAL 118 2HG1 VAL 118 7.192 8.402 1.134 836 3HG1 VAL 118 3HG1 VAL 118 6.684 7.557 -0.348 837 1HG2 VAL 118 1HG2 VAL 118 9.465 7.192 1.627 838 2HG2 VAL 118 2HG2 VAL 118 8.232 7.335 2.903 839 3HG2 VAL 118 3HG2 VAL 118 9.051 5.779 2.628 840 H VAL 119 HN VAL 119 6.683 3.630 3.789 841 HA VAL 119 HA VAL 119 4.689 4.834 5.284 842 HB VAL 119 HB VAL 119 7.091 3.317 6.315 843 1HG1 VAL 119 1HG1 VAL 119 5.205 2.456 7.901 844 2HG1 VAL 119 2HG1 VAL 119 5.934 4.053 8.194 845 3HG1 VAL 119 3HG1 VAL 119 4.348 3.931 7.396 846 1HG2 VAL 119 1HG2 VAL 119 5.039 1.484 6.027 847 2HG2 VAL 119 2HG2 VAL 119 4.912 2.465 4.548 848 3HG2 VAL 119 3HG2 VAL 119 6.446 1.657 4.951 849 H HIS 120 HN HIS 120 4.727 6.286 7.084 850 HA HIS 120 HA HIS 120 6.800 8.265 6.804 851 1HB HIS 120 2HB HIS 120 4.050 8.146 7.797 852 2HB HIS 120 3HB HIS 120 5.103 9.064 8.856 853 HD1 HIS 120 HD1 HIS 120 3.984 11.319 8.204 854 HD2 HIS 120 HD2 HIS 120 5.717 9.268 4.981 855 HE1 HIS 120 HE1 HIS 120 4.053 12.970 6.260 856 H GLU 121 HN GLU 121 8.326 8.842 8.382 857 HA GLU 121 HA GLU 121 9.311 6.824 9.926 858 1HB GLU 121 2HB GLU 121 10.142 9.337 9.217 859 2HB GLU 121 3HB GLU 121 9.800 9.598 10.915 860 1HG GLU 121 2HG GLU 121 11.251 7.069 10.445 861 2HG GLU 121 3HG GLU 121 12.137 8.461 9.856 862 H LYS 122 HN LYS 122 7.214 9.617 10.908 863 HA LYS 122 HA LYS 122 6.539 8.065 13.309 864 1HB LYS 122 2HB LYS 122 7.978 10.411 13.327 865 2HB LYS 122 3HB LYS 122 6.341 10.994 13.550 866 1HG LYS 122 2HG LYS 122 6.377 8.799 15.247 867 2HG LYS 122 3HG LYS 122 8.031 9.362 15.374 868 1HD LYS 122 2HD LYS 122 7.434 11.274 16.491 869 2HD LYS 122 3HD LYS 122 6.042 11.559 15.465 870 1HE LYS 122 2HE LYS 122 4.617 10.227 16.779 871 2HE LYS 122 3HE LYS 122 5.927 9.239 17.395 872 1HZ LYS 122 1HZ LYS 122 5.916 10.549 19.146 873 2HZ LYS 122 2HZ LYS 122 6.457 11.788 18.229 874 3HZ LYS 122 3HZ LYS 122 4.854 11.592 18.475 875 H ALA 123 HN ALA 123 4.490 9.863 14.195 876 HA ALA 123 HA ALA 123 2.546 9.406 12.043 877 1HB ALA 123 1HB ALA 123 2.332 9.464 15.072 878 2HB ALA 123 2HB ALA 123 0.908 9.506 14.004 879 3HB ALA 123 3HB ALA 123 2.005 8.104 13.972 880 H ASP 124 HN ASP 124 0.918 11.057 11.654 881 HA ASP 124 HA ASP 124 2.059 13.631 11.797 882 1HB ASP 124 2HB ASP 124 -0.264 14.278 10.832 883 2HB ASP 124 3HB ASP 124 0.750 13.224 9.866 884 H ASP 125 HN ASP 125 0.455 11.716 14.058 885 HA ASP 125 HA ASP 125 -0.592 12.052 15.926 886 1HB ASP 125 2HB ASP 125 1.385 13.847 15.996 887 2HB ASP 125 3HB ASP 125 0.073 15.005 15.906 888 H LEU 126 HN LEU 126 -2.022 12.545 13.357 889 HA LEU 126 HA LEU 126 -3.896 13.389 12.541 890 1HB LEU 126 2HB LEU 126 -4.471 13.217 15.475 891 2HB LEU 126 3HB LEU 126 -5.667 13.904 14.395 892 HG LEU 126 HG LEU 126 -4.485 11.216 13.761 893 1HD1 LEU 126 1HD1 LEU 126 -5.062 10.688 15.930 894 2HD1 LEU 126 2HD1 LEU 126 -6.416 11.843 15.971 895 3HD1 LEU 126 3HD1 LEU 126 -6.570 10.324 15.057 896 1HD2 LEU 126 1HD2 LEU 126 -7.068 12.653 13.157 897 2HD2 LEU 126 2HD2 LEU 126 -5.840 12.029 12.029 898 3HD2 LEU 126 3HD2 LEU 126 -6.882 10.898 12.926 899 H GLY 127 HN GLY 127 -1.584 15.232 13.386 900 1HA GLY 127 1HA GLY 127 -1.427 17.452 12.638 901 2HA GLY 127 2HA GLY 127 -3.111 17.720 13.041 902 H LYS 128 HN LYS 128 -0.002 18.454 13.981 903 HA LYS 128 HA LYS 128 -0.614 18.442 16.835 904 1HB LYS 128 2HB LYS 128 1.599 18.273 17.207 905 2HB LYS 128 3HB LYS 128 1.647 17.704 15.550 906 1HG LYS 128 2HG LYS 128 1.864 20.268 14.936 907 2HG LYS 128 3HG LYS 128 2.321 20.464 16.616 908 1HD LYS 128 2HD LYS 128 4.009 18.493 16.149 909 2HD LYS 128 3HD LYS 128 3.732 18.860 14.458 910 1HE LYS 128 2HE LYS 128 5.086 20.682 14.559 911 2HE LYS 128 3HE LYS 128 4.194 21.339 15.916 912 1HZ LYS 128 1HZ LYS 128 5.529 20.204 17.405 913 2HZ LYS 128 2HZ LYS 128 6.104 19.157 16.291 914 3HZ LYS 128 3HZ LYS 128 6.594 20.714 16.277 915 H GLY 129 HN GLY 129 -0.465 20.489 13.990 916 1HA GLY 129 1HA GLY 129 -1.407 22.588 13.854 917 2HA GLY 129 2HA GLY 129 -1.373 22.741 15.599 918 H GLY 130 HN GLY 130 1.368 21.754 13.469 919 1HA GLY 130 1HA GLY 130 3.042 23.783 14.673 920 2HA GLY 130 2HA GLY 130 3.510 22.541 13.528 921 H ASN 131 HN ASN 131 4.645 23.914 12.095 922 HA ASN 131 HA ASN 131 2.896 25.439 10.401 923 1HB ASN 131 2HB ASN 131 5.254 26.628 11.932 924 2HB ASN 131 3HB ASN 131 4.702 27.344 10.430 925 1HD2 ASN 131 1HD2 ASN 131 4.466 27.490 13.681 926 2HD2 ASN 131 2HD2 ASN 131 2.918 28.239 13.886 927 H GLU 132 HN GLU 132 3.635 25.277 8.232 928 HA GLU 132 HA GLU 132 4.749 24.449 6.555 929 1HB GLU 132 2HB GLU 132 6.427 26.294 7.859 930 2HB GLU 132 3HB GLU 132 7.481 24.936 7.519 931 1HG GLU 132 2HG GLU 132 6.761 24.973 5.124 932 2HG GLU 132 3HG GLU 132 5.698 26.324 5.461 933 H GLN 133 HN GLN 133 4.300 22.691 9.007 934 HA GLN 133 HA GLN 133 6.170 20.640 8.166 935 1HB GLN 133 2HB GLN 133 6.510 21.963 10.576 936 2HB GLN 133 3HB GLN 133 5.542 20.588 11.067 937 1HG GLN 133 2HG GLN 133 7.631 19.600 11.201 938 2HG GLN 133 3HG GLN 133 7.284 19.243 9.521 939 1HE2 GLN 133 1HE2 GLN 133 9.116 19.397 8.465 940 2HE2 GLN 133 2HE2 GLN 133 10.230 20.723 8.496 941 H SER 134 HN SER 134 3.583 21.006 10.701 942 HA SER 134 HA SER 134 2.467 18.526 9.887 943 1HB SER 134 2HB SER 134 1.291 20.582 11.806 944 2HB SER 134 3HB SER 134 0.888 18.879 11.719 945 HG SER 134 HG SER 134 3.467 19.982 12.451 946 H THR 135 HN THR 135 1.994 21.948 9.186 947 HA THR 135 HA THR 135 -0.699 21.708 8.269 948 HB THR 135 HB THR 135 -0.248 24.039 7.480 949 HG1 THR 135 1HG THR 135 1.938 24.682 7.415 950 1HG2 THR 135 1HG2 THR 135 -0.313 23.329 10.105 951 2HG2 THR 135 2HG2 THR 135 1.360 23.930 10.023 952 3HG2 THR 135 3HG2 THR 135 0.007 25.002 9.590 953 H LYS 136 HN LYS 136 2.182 20.438 7.085 954 HA LYS 136 HA LYS 136 1.079 20.480 4.362 955 1HB LYS 136 2HB LYS 136 3.877 20.856 5.357 956 2HB LYS 136 3HB LYS 136 3.645 20.006 3.842 957 1HG LYS 136 2HG LYS 136 1.965 22.080 3.380 958 2HG LYS 136 3HG LYS 136 3.024 22.870 4.531 959 1HD LYS 136 2HD LYS 136 4.278 21.300 2.274 960 2HD LYS 136 3HD LYS 136 3.578 22.865 1.908 961 1HE LYS 136 2HE LYS 136 5.067 24.015 3.388 962 2HE LYS 136 3HE LYS 136 5.498 22.548 4.244 963 1HZ LYS 136 1HZ LYS 136 6.886 23.619 2.222 964 2HZ LYS 136 2HZ LYS 136 7.027 22.073 2.731 965 3HZ LYS 136 3HZ LYS 136 6.069 22.430 1.457 966 H THR 137 HN THR 137 2.868 18.647 6.900 967 HA THR 137 HA THR 137 1.813 16.195 5.662 968 HB THR 137 HB THR 137 4.016 15.135 6.321 969 HG1 THR 137 1HG THR 137 4.710 17.960 6.677 970 1HG2 THR 137 1HG2 THR 137 5.468 16.307 4.650 971 2HG2 THR 137 2HG2 THR 137 3.839 16.023 3.993 972 3HG2 THR 137 3HG2 THR 137 4.292 17.641 4.578 973 H GLY 138 HN GLY 138 3.855 16.385 8.563 974 1HA GLY 138 1HA GLY 138 1.851 16.645 10.491 975 2HA GLY 138 2HA GLY 138 1.992 14.940 10.109 976 H ASN 139 HN ASN 139 4.611 17.430 10.038 977 HA ASN 139 HA ASN 139 6.597 17.413 10.938 978 1HB ASN 139 2HB ASN 139 4.952 18.077 12.882 979 2HB ASN 139 3HB ASN 139 5.296 16.489 13.538 980 1HD2 ASN 139 1HD2 ASN 139 6.428 19.683 12.976 981 2HD2 ASN 139 2HD2 ASN 139 7.954 19.580 13.789 982 H ALA 140 HN ALA 140 5.813 14.857 9.728 983 HA ALA 140 HA ALA 140 7.702 13.148 11.087 984 1HB ALA 140 1HB ALA 140 4.897 12.119 10.543 985 2HB ALA 140 2HB ALA 140 6.209 11.318 11.441 986 3HB ALA 140 3HB ALA 140 5.400 12.746 12.131 987 H GLY 141 HN GLY 141 7.322 14.738 8.525 988 1HA GLY 141 1HA GLY 141 6.938 12.728 6.479 989 2HA GLY 141 2HA GLY 141 7.330 14.422 6.263 990 H SER 142 HN SER 142 8.601 11.158 6.708 991 HA SER 142 HA SER 142 11.143 12.118 5.780 992 1HB SER 142 2HB SER 142 10.679 11.332 8.557 993 2HB SER 142 3HB SER 142 11.854 10.269 7.809 994 HG SER 142 HG SER 142 12.735 12.532 6.983 995 H ARG 143 HN ARG 143 10.808 10.924 3.857 996 HA ARG 143 HA ARG 143 9.653 8.545 3.571 997 1HB ARG 143 2HB ARG 143 12.092 9.716 2.164 998 2HB ARG 143 3HB ARG 143 11.381 8.204 1.634 999 1HG ARG 143 2HG ARG 143 9.809 9.350 0.475 1000 2HG ARG 143 3HG ARG 143 9.207 10.037 1.971 1001 1HD ARG 143 2HD ARG 143 11.713 11.295 0.944 1002 2HD ARG 143 3HD ARG 143 10.310 11.514 -0.083 1003 HE ARG 143 HE ARG 143 9.446 12.058 2.553 1004 1HH1 ARG 143 2HH2 ARG 143 11.759 13.382 0.255 1005 2HH1 ARG 143 1HH2 ARG 143 11.651 14.993 0.880 1006 1HH2 ARG 143 2HH1 ARG 143 9.303 14.184 3.378 1007 2HH2 ARG 143 1HH1 ARG 143 10.245 15.453 2.669 1008 H LEU 144 HN LEU 144 10.869 6.364 2.909 1009 HA LEU 144 HA LEU 144 13.322 5.804 4.176 1010 1HB LEU 144 2HB LEU 144 12.230 4.120 5.809 1011 2HB LEU 144 3HB LEU 144 12.423 5.800 6.266 1012 HG LEU 144 HG LEU 144 9.903 5.774 5.120 1013 1HD1 LEU 144 1HD1 LEU 144 8.809 3.845 5.418 1014 2HD1 LEU 144 2HD1 LEU 144 10.429 3.109 5.465 1015 3HD1 LEU 144 3HD1 LEU 144 9.595 3.522 6.982 1016 1HD2 LEU 144 1HD2 LEU 144 11.107 6.117 7.739 1017 2HD2 LEU 144 2HD2 LEU 144 9.726 6.957 6.993 1018 3HD2 LEU 144 3HD2 LEU 144 9.473 5.419 7.853 1019 H ALA 145 HN ALA 145 10.119 4.255 3.419 1020 HA ALA 145 HA ALA 145 11.624 2.291 1.838 1021 1HB ALA 145 1HB ALA 145 10.229 1.478 3.768 1022 2HB ALA 145 2HB ALA 145 8.791 2.122 2.939 1023 3HB ALA 145 3HB ALA 145 9.737 0.811 2.193 1024 H CYS 146 HN CYS 146 10.282 1.460 -0.128 1025 HA CYS 146 HA CYS 146 8.529 3.438 -1.247 1026 1HB CYS 146 2HB CYS 146 11.282 2.968 -2.386 1027 2HB CYS 146 3HB CYS 146 9.953 3.554 -3.366 1028 H GLY 147 HN GLY 147 7.423 1.224 -0.682 1029 1HA GLY 147 1HA GLY 147 7.927 -1.175 -1.850 1030 2HA GLY 147 2HA GLY 147 6.320 -0.543 -1.547 1031 H VAL 148 HN VAL 148 6.000 1.547 -3.310 1032 HA VAL 148 HA VAL 148 5.544 2.055 -5.412 1033 HB VAL 148 HB VAL 148 8.037 0.439 -5.730 1034 1HG1 VAL 148 1HG1 VAL 148 6.099 1.113 -7.911 1035 2HG1 VAL 148 2HG1 VAL 148 7.840 1.274 -8.242 1036 3HG1 VAL 148 3HG1 VAL 148 7.173 -0.294 -7.728 1037 1HG2 VAL 148 1HG2 VAL 148 7.292 3.296 -6.443 1038 2HG2 VAL 148 2HG2 VAL 148 8.179 2.773 -4.992 1039 3HG2 VAL 148 3HG2 VAL 148 8.908 2.568 -6.603 1040 H ILE 149 HN ILE 149 3.952 1.404 -6.841 1041 HA ILE 149 HA ILE 149 2.929 -1.247 -6.401 1042 HB ILE 149 HB ILE 149 1.882 0.889 -8.253 1043 1HG1 ILE 149 2HG1 ILE 149 2.307 1.702 -5.882 1044 2HG1 ILE 149 3HG1 ILE 149 0.675 1.876 -6.497 1045 1HG2 ILE 149 1HG2 ILE 149 -0.186 -0.230 -8.136 1046 2HG2 ILE 149 2HG2 ILE 149 1.028 -1.506 -8.390 1047 3HG2 ILE 149 3HG2 ILE 149 0.340 -1.242 -6.770 1048 1HD1 ILE 149 1HD1 ILE 149 0.862 0.942 -4.124 1049 2HD1 ILE 149 2HD1 ILE 149 -0.111 -0.036 -5.249 1050 3HD1 ILE 149 3HD1 ILE 149 1.550 -0.532 -4.847 1051 H GLY 150 HN GLY 150 2.953 -2.972 -7.820 1052 1HA GLY 150 1HA GLY 150 4.089 -2.528 -10.491 1053 2HA GLY 150 2HA GLY 150 4.902 -3.641 -9.407 1054 H ILE 151 HN ILE 151 2.176 -3.136 -11.546 1055 HA ILE 151 HA ILE 151 0.319 -4.925 -10.831 1056 HB ILE 151 HB ILE 151 1.472 -4.209 -13.505 1057 1HG1 ILE 151 2HG1 ILE 151 0.190 -2.507 -12.300 1058 2HG1 ILE 151 3HG1 ILE 151 -0.627 -3.010 -13.766 1059 1HG2 ILE 151 1HG2 ILE 151 -0.752 -5.345 -14.338 1060 2HG2 ILE 151 2HG2 ILE 151 0.745 -6.287 -14.142 1061 3HG2 ILE 151 3HG2 ILE 151 -0.521 -6.356 -12.892 1062 1HD1 ILE 151 1HD1 ILE 151 -1.940 -4.683 -12.285 1063 2HD1 ILE 151 2HD1 ILE 151 -1.299 -3.768 -10.899 1064 3HD1 ILE 151 3HD1 ILE 151 -2.335 -2.957 -12.099 1065 H ALA 152 HN ALA 152 0.005 -7.145 -10.762 1066 HA ALA 152 HA ALA 152 2.352 -8.764 -11.476 1067 1HB ALA 152 1HB ALA 152 0.549 -9.186 -9.062 1068 2HB ALA 152 2HB ALA 152 2.045 -10.063 -9.463 1069 3HB ALA 152 3HB ALA 152 2.118 -8.348 -8.994 1070 H GLN 153 HN GLN 153 1.561 -11.240 -11.438 1071 HA GLN 153 HA GLN 153 -1.111 -11.339 -12.566 1072 1HB GLN 153 2HB GLN 153 -0.342 -12.708 -14.459 1073 2HB GLN 153 3HB GLN 153 0.459 -11.150 -14.473 1074 1HG GLN 153 2HG GLN 153 2.528 -12.060 -14.077 1075 2HG GLN 153 3HG GLN 153 1.913 -13.204 -12.901 1076 1HE2 GLN 153 1HE2 GLN 153 2.959 -14.967 -13.661 1077 2HE2 GLN 153 2HE2 GLN 153 2.628 -15.735 -15.178
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